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 3aem_1_D DATA FIRST_RESID 1505 DATA SEQUENCE DITTTLLHPK GDHVLHSHAY PIFQTSTFCF DSTQQGADLF MGKGEGHIYS DATA SEQUENCE RLGNPTVEQF EEMVCSIEGA AGSAAFGSGM GAISSSTLAF LQKGDHLIAG DATA SEQUENCE DTLYGCTVSL FTHWLPRFGI EVDLIDTSDV EKVKAAWKPN TKMVYLESPA DATA SEQUENCE NPTCKVSDIK GIAVVCHERG ARLVVDATFT SPCFLKPLEL GADIALHSVS DATA SEQUENCE KYINGHGDVI GGVSSAKTAE DIATIKFYRK DAGSLMAPMD AFLCARGMKT DATA SEQUENCE LPIRMQIHME NGLKVAKFLE QHEKIVKVNH PGLESFPGHD IAKKQMTGYG DATA SEQUENCE STFLFEMKSF EAAKKLMEHL KVCTLAVSLG CVDTLIEHPA SMTHAAVPEN DATA SEQUENCE IMRKQGITPE LVRISVGIEN VDDIIADLKQ ALEL 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 1505 D HA 0.000 nan 4.640 nan 0.000 0.175 1505 D C 0.000 176.303 176.300 0.006 0.000 2.045 1505 D CA 0.000 54.005 54.000 0.009 0.000 0.868 1505 D CB 0.000 40.808 40.800 0.013 0.000 0.688 1506 I N -0.056 120.510 120.570 -0.007 0.000 2.248 1506 I HA -0.262 3.870 4.170 -0.064 0.000 0.248 1506 I C 1.958 178.070 176.117 -0.009 0.000 1.107 1506 I CA 1.978 63.266 61.300 -0.020 0.000 1.373 1506 I CB -0.720 37.250 38.000 -0.050 0.000 1.055 1506 I HN 0.492 nan 8.210 nan 0.000 0.418 1507 T N 0.171 114.725 114.554 0.001 0.000 2.684 1507 T HA -0.195 4.116 4.350 -0.064 0.000 0.267 1507 T C 1.910 176.635 174.700 0.042 0.000 1.036 1507 T CA 2.189 64.297 62.100 0.014 0.000 1.148 1507 T CB -0.564 68.317 68.868 0.022 0.000 0.863 1507 T HN 0.403 nan 8.240 nan 0.000 0.436 1508 T N 1.832 116.426 114.554 0.067 0.000 2.759 1508 T HA -0.126 4.186 4.350 -0.064 0.000 0.269 1508 T C 2.262 177.052 174.700 0.151 0.000 1.042 1508 T CA 1.666 63.848 62.100 0.137 0.000 1.140 1508 T CB -0.705 68.218 68.868 0.092 0.000 0.864 1508 T HN 0.428 nan 8.240 nan 0.000 0.455 1509 T N 2.417 117.012 114.554 0.069 0.000 2.737 1509 T HA 0.076 4.388 4.350 -0.064 0.000 0.265 1509 T C 2.011 176.725 174.700 0.025 0.000 1.038 1509 T CA 0.847 62.975 62.100 0.046 0.000 1.144 1509 T CB -0.478 68.394 68.868 0.007 0.000 0.866 1509 T HN 0.261 nan 8.240 nan 0.000 0.434 1510 L N 0.571 121.792 121.223 -0.004 0.000 2.127 1510 L HA -0.033 4.269 4.340 -0.064 0.000 0.211 1510 L C 2.360 179.198 176.870 -0.053 0.000 1.089 1510 L CA 1.049 55.870 54.840 -0.032 0.000 0.757 1510 L CB -0.600 41.439 42.059 -0.034 0.000 0.899 1510 L HN 0.253 nan 8.230 nan 0.000 0.434 1511 L N -1.338 119.849 121.223 -0.059 0.000 2.313 1511 L HA -0.061 4.241 4.340 -0.064 0.000 0.214 1511 L C 0.764 177.386 176.870 -0.413 0.000 1.119 1511 L CA 0.503 55.219 54.840 -0.207 0.000 0.809 1511 L CB -0.173 41.765 42.059 -0.201 0.000 0.933 1511 L HN 0.361 nan 8.230 nan 0.000 0.449 1512 H N 0.263 119.338 119.070 0.009 0.000 2.386 1512 H HA 0.293 4.810 4.556 -0.065 0.000 0.232 1512 H C -2.151 173.170 175.328 -0.012 0.000 1.416 1512 H CA -1.531 54.526 56.048 0.016 0.000 1.285 1512 H CB 0.261 30.039 29.762 0.026 0.000 1.625 1512 H HN 0.118 nan 8.280 nan 0.000 0.521 1513 P HA 0.107 nan 4.420 nan 0.000 0.277 1513 P C -0.116 177.169 177.300 -0.025 0.000 1.240 1513 P CA -0.639 62.450 63.100 -0.018 0.000 0.798 1513 P CB 1.747 33.408 31.700 -0.064 0.000 0.979 1514 K N 0.863 121.242 120.400 -0.036 0.000 2.440 1514 K HA 0.513 4.794 4.320 -0.064 0.000 0.270 1514 K C 0.910 177.470 176.600 -0.066 0.000 0.980 1514 K CA 0.460 56.721 56.287 -0.044 0.000 0.953 1514 K CB -0.426 32.049 32.500 -0.041 0.000 0.925 1514 K HN 0.952 nan 8.250 nan 0.000 0.497 1515 G N 1.028 109.789 108.800 -0.064 0.000 2.362 1515 G HA2 0.004 3.926 3.960 -0.064 0.000 0.656 1515 G HA3 0.004 3.926 3.960 -0.064 0.000 0.656 1515 G C -1.737 173.110 174.900 -0.088 0.000 1.376 1515 G CA -1.126 43.941 45.100 -0.056 0.000 0.971 1515 G HN 0.564 nan 8.290 nan 0.000 0.636 1516 D N -0.094 120.283 120.400 -0.038 0.000 2.283 1516 D HA 0.542 5.143 4.640 -0.064 0.000 0.248 1516 D C 0.538 176.810 176.300 -0.047 0.000 1.072 1516 D CA -0.251 53.703 54.000 -0.077 0.000 0.929 1516 D CB 0.523 41.315 40.800 -0.014 0.000 1.182 1516 D HN 0.575 nan 8.370 nan 0.000 0.433 1517 H N -0.599 118.503 119.070 0.053 0.000 2.771 1517 H HA 0.286 4.804 4.556 -0.065 0.000 0.364 1517 H C -0.377 174.944 175.328 -0.012 0.000 1.133 1517 H CA -0.500 55.569 56.048 0.036 0.000 1.423 1517 H CB 0.594 30.352 29.762 -0.008 0.000 1.425 1517 H HN 0.020 nan 8.280 nan 0.000 0.606 1518 V N 4.835 124.797 119.914 0.081 0.000 2.364 1518 V HA -0.017 4.064 4.120 -0.064 0.000 0.272 1518 V C 0.675 176.789 176.094 0.034 0.000 1.036 1518 V CA -0.351 61.964 62.300 0.025 0.000 0.880 1518 V CB 0.599 32.386 31.823 -0.059 0.000 0.991 1518 V HN 0.777 nan 8.190 nan 0.000 0.460 1519 L N 6.235 127.497 121.223 0.065 0.000 3.742 1519 L HA -0.284 4.017 4.340 -0.064 0.000 0.431 1519 L C 1.032 178.028 176.870 0.209 0.000 1.220 1519 L CA 0.526 55.444 54.840 0.129 0.000 0.863 1519 L CB -1.609 40.493 42.059 0.072 0.000 1.751 1519 L HN 1.078 nan 8.230 nan 0.000 0.922 1520 H N -2.581 116.527 119.070 0.063 0.000 3.179 1520 H HA -0.176 4.341 4.556 -0.064 0.000 0.250 1520 H C 1.102 176.405 175.328 -0.041 0.000 1.142 1520 H CA 1.142 57.204 56.048 0.023 0.000 1.165 1520 H CB -1.011 28.753 29.762 0.005 0.000 1.253 1520 H HN 0.514 nan 8.280 nan 0.000 0.325 1521 S N -0.312 115.428 115.700 0.067 0.000 2.516 1521 S HA -0.045 4.387 4.470 -0.064 0.000 0.282 1521 S C 1.588 176.198 174.600 0.016 0.000 1.286 1521 S CA 0.133 58.353 58.200 0.034 0.000 1.066 1521 S CB 0.592 63.792 63.200 -0.000 0.000 0.884 1521 S HN 0.551 nan 8.310 nan 0.000 0.491 1522 H N 4.143 123.168 119.070 -0.075 0.000 2.276 1522 H HA 0.058 4.575 4.556 -0.064 0.000 0.301 1522 H C 1.002 176.375 175.328 0.075 0.000 1.073 1522 H CA 1.174 57.178 56.048 -0.073 0.000 1.311 1522 H CB -0.307 29.425 29.762 -0.051 0.000 1.379 1522 H HN 0.738 nan 8.280 nan 0.000 0.494 1523 A N 0.660 123.464 122.820 -0.027 0.000 2.425 1523 A HA 0.095 4.377 4.320 -0.064 0.000 0.249 1523 A C -0.902 176.764 177.584 0.136 0.000 1.084 1523 A CA -0.225 51.830 52.037 0.029 0.000 0.781 1523 A CB -0.400 18.678 19.000 0.131 0.000 1.019 1523 A HN 0.544 nan 8.150 nan 0.000 0.490 1524 Y N 3.549 123.914 120.300 0.109 0.000 2.465 1524 Y HA 0.333 4.845 4.550 -0.063 0.000 0.331 1524 Y C -1.842 174.180 175.900 0.204 0.000 1.102 1524 Y CA -1.238 56.962 58.100 0.168 0.000 1.358 1524 Y CB 0.335 38.888 38.460 0.154 0.000 1.213 1524 Y HN 0.517 nan 8.280 nan 0.000 0.525 1525 P HA 0.072 nan 4.420 nan 0.000 0.268 1525 P C -0.823 176.494 177.300 0.027 0.000 1.208 1525 P CA 0.198 63.196 63.100 -0.170 0.000 0.777 1525 P CB 0.536 31.957 31.700 -0.466 0.000 0.875 1526 I N 2.179 122.673 120.570 -0.126 0.000 2.322 1526 I HA 0.157 4.288 4.170 -0.064 0.000 0.292 1526 I C 0.136 176.178 176.117 -0.125 0.000 1.060 1526 I CA -0.212 61.061 61.300 -0.046 0.000 1.309 1526 I CB -0.193 37.670 38.000 -0.228 0.000 1.415 1526 I HN 0.232 nan 8.210 nan 0.000 0.492 1527 F N 4.872 124.829 119.950 0.013 0.000 2.626 1527 F HA 0.139 4.627 4.527 -0.065 0.000 0.353 1527 F C 1.114 176.879 175.800 -0.059 0.000 1.230 1527 F CA -0.384 57.604 58.000 -0.020 0.000 1.298 1527 F CB 0.079 39.111 39.000 0.054 0.000 1.670 1527 F HN 0.485 nan 8.300 nan 0.000 0.633 1528 Q N 2.500 122.282 119.800 -0.030 0.000 2.815 1528 Q HA 0.142 4.444 4.340 -0.064 0.000 0.235 1528 Q C -0.271 175.675 176.000 -0.090 0.000 1.354 1528 Q CA 0.140 55.910 55.803 -0.056 0.000 0.953 1528 Q CB 0.125 28.807 28.738 -0.094 0.000 1.613 1528 Q HN 0.410 nan 8.270 nan 0.000 0.572 1529 T N -0.212 114.288 114.554 -0.091 0.000 2.916 1529 T HA 0.429 4.740 4.350 -0.064 0.000 0.305 1529 T C 0.650 175.228 174.700 -0.203 0.000 1.119 1529 T CA 0.055 62.043 62.100 -0.187 0.000 1.008 1529 T CB 1.167 69.834 68.868 -0.335 0.000 1.129 1529 T HN 0.453 nan 8.240 nan 0.000 0.480 1530 S N 2.364 117.941 115.700 -0.206 0.000 2.371 1530 S HA 0.213 4.645 4.470 -0.064 0.000 0.219 1530 S C 1.062 175.518 174.600 -0.240 0.000 1.040 1530 S CA 0.397 58.450 58.200 -0.246 0.000 0.958 1530 S CB -0.244 62.883 63.200 -0.121 0.000 0.860 1530 S HN 0.717 nan 8.310 nan 0.000 0.487 1531 T N 0.503 114.964 114.554 -0.154 0.000 2.940 1531 T HA 0.702 5.013 4.350 -0.064 0.000 0.288 1531 T C -1.809 172.665 174.700 -0.377 0.000 1.045 1531 T CA -0.796 61.303 62.100 -0.003 0.000 1.018 1531 T CB 0.807 69.761 68.868 0.143 0.000 1.151 1531 T HN 0.190 nan 8.240 nan 0.000 0.529 1532 F N 0.478 120.396 119.950 -0.053 0.000 2.563 1532 F HA 0.548 5.037 4.527 -0.065 0.000 0.316 1532 F C 0.276 175.891 175.800 -0.308 0.000 1.076 1532 F CA -0.837 57.101 58.000 -0.104 0.000 0.921 1532 F CB 1.248 40.236 39.000 -0.021 0.000 1.209 1532 F HN 0.505 nan 8.300 nan 0.000 0.462 1533 C N 2.210 121.476 119.300 -0.057 0.000 2.466 1533 C HA 0.552 4.973 4.460 -0.064 0.000 0.379 1533 C C -0.306 174.623 174.990 -0.101 0.000 1.251 1533 C CA -0.688 58.244 59.018 -0.144 0.000 2.263 1533 C CB -0.282 27.455 27.740 -0.005 0.000 2.511 1533 C HN 0.420 nan 8.230 nan 0.000 0.573 1534 F N 1.320 121.345 119.950 0.125 0.000 2.425 1534 F HA 0.292 4.781 4.527 -0.065 0.000 0.331 1534 F C 1.347 177.195 175.800 0.080 0.000 1.085 1534 F CA -0.800 57.263 58.000 0.105 0.000 1.028 1534 F CB 0.517 39.581 39.000 0.107 0.000 1.177 1534 F HN 0.564 nan 8.300 nan 0.000 0.487 1535 D N 0.117 120.685 120.400 0.280 0.000 2.269 1535 D HA -0.009 4.593 4.640 -0.064 0.000 0.208 1535 D C 0.483 176.864 176.300 0.135 0.000 0.963 1535 D CA 1.032 55.129 54.000 0.163 0.000 0.864 1535 D CB 0.237 41.109 40.800 0.120 0.000 0.936 1535 D HN 0.439 nan 8.370 nan 0.000 0.505 1536 S N -2.614 113.174 115.700 0.147 0.000 2.615 1536 S HA 0.187 4.618 4.470 -0.064 0.000 0.268 1536 S C 0.715 175.358 174.600 0.071 0.000 1.146 1536 S CA -0.615 57.640 58.200 0.092 0.000 0.818 1536 S CB 1.278 64.508 63.200 0.050 0.000 1.111 1536 S HN -0.149 nan 8.310 nan 0.000 0.465 1537 T N 1.172 115.754 114.554 0.045 0.000 2.720 1537 T HA -0.156 4.155 4.350 -0.064 0.000 0.268 1537 T C 1.757 176.422 174.700 -0.058 0.000 1.037 1537 T CA 2.238 64.343 62.100 0.008 0.000 1.144 1537 T CB -0.549 68.326 68.868 0.011 0.000 0.864 1537 T HN 0.656 nan 8.240 nan 0.000 0.444 1538 Q N 1.035 120.812 119.800 -0.040 0.000 2.050 1538 Q HA -0.098 4.203 4.340 -0.064 0.000 0.202 1538 Q C 2.392 178.339 176.000 -0.089 0.000 0.980 1538 Q CA 1.543 57.315 55.803 -0.052 0.000 0.840 1538 Q CB -0.447 28.276 28.738 -0.025 0.000 0.898 1538 Q HN 0.480 nan 8.270 nan 0.000 0.424 1539 Q N -0.884 118.865 119.800 -0.085 0.000 2.084 1539 Q HA -0.127 4.175 4.340 -0.064 0.000 0.202 1539 Q C 1.798 177.614 176.000 -0.306 0.000 0.978 1539 Q CA 1.727 57.463 55.803 -0.112 0.000 0.844 1539 Q CB -0.469 28.257 28.738 -0.020 0.000 0.898 1539 Q HN 0.526 nan 8.270 nan 0.000 0.426 1540 G N 0.444 108.887 108.800 -0.596 0.000 2.414 1540 G HA2 -0.209 3.713 3.960 -0.064 0.000 0.215 1540 G HA3 -0.209 3.713 3.960 -0.064 0.000 0.215 1540 G C 1.545 176.163 174.900 -0.470 0.000 1.188 1540 G CA 1.250 45.533 45.100 -1.360 0.000 0.783 1540 G HN 0.507 nan 8.290 nan 0.000 0.537 1541 A N 1.155 123.838 122.820 -0.228 0.000 1.908 1541 A HA -0.112 4.169 4.320 -0.064 0.000 0.218 1541 A C 2.102 179.672 177.584 -0.024 0.000 1.181 1541 A CA 2.293 54.290 52.037 -0.067 0.000 0.627 1541 A CB -0.533 18.426 19.000 -0.069 0.000 0.818 1541 A HN 0.299 nan 8.150 nan 0.000 0.445 1542 D N -0.010 120.345 120.400 -0.075 0.000 2.117 1542 D HA -0.118 4.484 4.640 -0.064 0.000 0.197 1542 D C 1.936 178.202 176.300 -0.056 0.000 0.987 1542 D CA 1.008 54.976 54.000 -0.053 0.000 0.829 1542 D CB -0.370 40.393 40.800 -0.062 0.000 0.961 1542 D HN 0.452 nan 8.370 nan 0.000 0.460 1543 L N -0.548 120.606 121.223 -0.114 0.000 2.046 1543 L HA -0.144 4.157 4.340 -0.064 0.000 0.208 1543 L C 2.266 179.054 176.870 -0.137 0.000 1.077 1543 L CA 0.801 55.554 54.840 -0.145 0.000 0.747 1543 L CB -0.390 41.554 42.059 -0.193 0.000 0.896 1543 L HN -0.003 nan 8.230 nan 0.000 0.432 1544 F N -1.006 118.886 119.950 -0.096 0.000 2.333 1544 F HA -0.176 4.313 4.527 -0.064 0.000 0.300 1544 F C 2.164 177.944 175.800 -0.032 0.000 1.083 1544 F CA 0.808 58.780 58.000 -0.047 0.000 1.395 1544 F CB 0.031 39.001 39.000 -0.051 0.000 1.056 1544 F HN 0.097 nan 8.300 nan 0.000 0.529 1545 M N -0.576 119.090 119.600 0.110 0.000 2.431 1545 M HA 0.306 4.747 4.480 -0.064 0.000 0.237 1545 M C 1.535 177.849 176.300 0.023 0.000 1.130 1545 M CA 0.395 55.733 55.300 0.063 0.000 1.002 1545 M CB -0.930 31.693 32.600 0.037 0.000 1.524 1545 M HN 0.199 nan 8.290 nan 0.000 0.482 1546 G N 2.426 111.222 108.800 -0.007 0.000 2.179 1546 G HA2 -0.283 3.639 3.960 -0.064 0.000 0.257 1546 G HA3 -0.283 3.639 3.960 -0.064 0.000 0.257 1546 G C 0.090 174.967 174.900 -0.039 0.000 1.010 1546 G CA 0.853 45.933 45.100 -0.032 0.000 0.736 1546 G HN 0.574 nan 8.290 nan 0.000 0.513 1547 K N -0.437 119.939 120.400 -0.040 0.000 2.221 1547 K HA 0.729 5.011 4.320 -0.064 0.000 0.258 1547 K C 0.720 177.289 176.600 -0.053 0.000 0.944 1547 K CA -0.033 56.231 56.287 -0.039 0.000 0.823 1547 K CB 1.985 34.469 32.500 -0.025 0.000 1.113 1547 K HN 1.723 nan 8.250 nan 0.000 0.431 1548 G N 1.525 110.295 108.800 -0.049 0.000 2.757 1548 G HA2 -0.132 3.789 3.960 -0.064 0.000 0.638 1548 G HA3 -0.132 3.789 3.960 -0.064 0.000 0.638 1548 G C -1.339 173.516 174.900 -0.075 0.000 1.344 1548 G CA -0.741 44.328 45.100 -0.052 0.000 0.855 1548 G HN 0.628 nan 8.290 nan 0.000 0.537 1549 E N 0.303 120.460 120.200 -0.072 0.000 2.195 1549 E HA 0.735 5.046 4.350 -0.064 0.000 0.271 1549 E C 0.638 177.167 176.600 -0.118 0.000 0.923 1549 E CA 0.587 56.925 56.400 -0.104 0.000 0.790 1549 E CB 1.401 31.061 29.700 -0.068 0.000 1.155 1549 E HN 2.108 nan 8.360 nan 0.000 0.402 1550 G N 1.795 110.452 108.800 -0.238 0.000 2.369 1550 G HA2 0.106 4.028 3.960 -0.064 0.000 0.295 1550 G HA3 0.106 4.028 3.960 -0.064 0.000 0.295 1550 G C -1.595 172.990 174.900 -0.525 0.000 1.298 1550 G CA -0.982 43.981 45.100 -0.228 0.000 0.940 1550 G HN 0.511 nan 8.290 nan 0.000 0.536 1551 H N -1.580 117.308 119.070 -0.302 0.000 2.834 1551 H HA 0.789 5.306 4.556 -0.065 0.000 0.369 1551 H C 1.018 176.172 175.328 -0.290 0.000 1.174 1551 H CA -0.593 55.107 56.048 -0.579 0.000 1.165 1551 H CB 2.125 30.996 29.762 -1.485 0.000 1.820 1551 H HN 0.382 nan 8.280 nan 0.000 0.558 1552 I N -0.745 119.776 120.570 -0.083 0.000 3.878 1552 I HA 0.173 4.304 4.170 -0.064 0.000 0.273 1552 I C -0.965 175.403 176.117 0.418 0.000 1.165 1552 I CA 0.047 61.452 61.300 0.175 0.000 1.360 1552 I CB 0.927 38.879 38.000 -0.081 0.000 1.539 1552 I HN 0.352 nan 8.210 nan 0.000 0.447 1553 Y N -0.124 120.296 120.300 0.201 0.000 2.474 1553 Y HA 0.249 4.761 4.550 -0.064 0.000 0.326 1553 Y C 0.636 176.659 175.900 0.206 0.000 1.160 1553 Y CA -0.949 57.297 58.100 0.243 0.000 1.056 1553 Y CB 1.632 40.166 38.460 0.123 0.000 1.330 1553 Y HN -0.167 nan 8.280 nan 0.000 0.447 1554 S N 3.328 118.898 115.700 -0.216 0.000 2.399 1554 S HA -0.159 4.272 4.470 -0.064 0.000 0.231 1554 S C 1.913 176.431 174.600 -0.136 0.000 1.022 1554 S CA 1.651 59.792 58.200 -0.099 0.000 0.983 1554 S CB -0.164 62.962 63.200 -0.122 0.000 0.803 1554 S HN 0.724 nan 8.310 nan 0.000 0.480 1555 R N 0.952 121.313 120.500 -0.232 0.000 2.120 1555 R HA 0.008 4.309 4.340 -0.064 0.000 0.234 1555 R C 1.825 178.141 176.300 0.027 0.000 1.123 1555 R CA 1.102 57.185 56.100 -0.028 0.000 0.975 1555 R CB -0.237 30.128 30.300 0.109 0.000 0.866 1555 R HN 0.373 nan 8.270 nan 0.000 0.446 1556 L N -1.012 120.257 121.223 0.078 0.000 2.240 1556 L HA 0.228 4.529 4.340 -0.064 0.000 0.211 1556 L C 0.752 177.607 176.870 -0.026 0.000 1.106 1556 L CA 0.470 55.317 54.840 0.012 0.000 0.793 1556 L CB 0.165 42.221 42.059 -0.005 0.000 0.927 1556 L HN 0.374 nan 8.230 nan 0.000 0.446 1557 G N 0.251 109.048 108.800 -0.006 0.000 2.174 1557 G HA2 0.049 3.970 3.960 -0.064 0.000 0.312 1557 G HA3 0.049 3.970 3.960 -0.064 0.000 0.312 1557 G C -1.922 173.002 174.900 0.041 0.000 1.663 1557 G CA -0.653 44.450 45.100 0.004 0.000 0.920 1557 G HN -0.053 nan 8.290 nan 0.000 0.664 1558 N N 3.100 121.805 118.700 0.008 0.000 2.314 1558 N HA 0.491 5.192 4.740 -0.064 0.000 0.294 1558 N C -1.913 173.524 175.510 -0.123 0.000 1.029 1558 N CA -1.982 51.053 53.050 -0.024 0.000 0.845 1558 N CB 3.445 41.962 38.487 0.050 0.000 1.321 1558 N HN 0.052 nan 8.380 nan 0.000 0.481 1559 P HA -0.058 nan 4.420 nan 0.000 0.216 1559 P C 1.032 178.312 177.300 -0.034 0.000 1.150 1559 P CA 1.514 64.402 63.100 -0.354 0.000 0.837 1559 P CB 0.280 31.432 31.700 -0.913 0.000 0.786 1560 T N -0.793 113.864 114.554 0.172 0.000 2.746 1560 T HA -0.087 4.225 4.350 -0.064 0.000 0.267 1560 T C 1.844 176.610 174.700 0.109 0.000 1.039 1560 T CA 1.267 63.536 62.100 0.282 0.000 1.142 1560 T CB -1.015 68.098 68.868 0.408 0.000 0.866 1560 T HN -0.099 nan 8.240 nan 0.000 0.444 1561 V N 1.626 121.592 119.914 0.086 0.000 2.307 1561 V HA -0.158 3.923 4.120 -0.064 0.000 0.245 1561 V C 2.457 178.587 176.094 0.060 0.000 1.045 1561 V CA 1.625 63.978 62.300 0.088 0.000 1.024 1561 V CB -0.686 31.167 31.823 0.050 0.000 0.651 1561 V HN 0.530 nan 8.190 nan 0.000 0.449 1562 E N -0.282 119.912 120.200 -0.010 0.000 2.130 1562 E HA -0.294 4.018 4.350 -0.064 0.000 0.196 1562 E C 2.329 178.866 176.600 -0.106 0.000 0.998 1562 E CA 1.329 57.698 56.400 -0.052 0.000 0.806 1562 E CB -0.197 29.478 29.700 -0.041 0.000 0.738 1562 E HN 0.552 nan 8.360 nan 0.000 0.459 1563 Q N 0.026 119.719 119.800 -0.178 0.000 2.084 1563 Q HA -0.192 4.109 4.340 -0.064 0.000 0.202 1563 Q C 2.036 177.967 176.000 -0.115 0.000 0.978 1563 Q CA 1.330 56.972 55.803 -0.268 0.000 0.844 1563 Q CB -0.163 28.220 28.738 -0.592 0.000 0.898 1563 Q HN 0.343 nan 8.270 nan 0.000 0.426 1564 F N 1.469 121.334 119.950 -0.140 0.000 2.146 1564 F HA -0.169 4.318 4.527 -0.067 0.000 0.298 1564 F C 1.958 177.715 175.800 -0.072 0.000 1.096 1564 F CA 1.487 59.432 58.000 -0.092 0.000 1.275 1564 F CB 0.074 39.039 39.000 -0.057 0.000 1.008 1564 F HN 0.102 nan 8.300 nan 0.000 0.480 1565 E N 0.219 120.290 120.200 -0.215 0.000 2.085 1565 E HA -0.275 4.036 4.350 -0.064 0.000 0.194 1565 E C 2.035 178.478 176.600 -0.261 0.000 0.994 1565 E CA 1.884 58.124 56.400 -0.267 0.000 0.801 1565 E CB -0.274 29.360 29.700 -0.110 0.000 0.743 1565 E HN 0.592 nan 8.360 nan 0.000 0.453 1566 E N 0.261 120.343 120.200 -0.197 0.000 2.110 1566 E HA -0.170 4.141 4.350 -0.064 0.000 0.193 1566 E C 2.079 178.572 176.600 -0.179 0.000 0.988 1566 E CA 1.042 57.346 56.400 -0.159 0.000 0.804 1566 E CB -0.023 29.596 29.700 -0.134 0.000 0.745 1566 E HN 0.248 nan 8.360 nan 0.000 0.458 1567 M N 0.018 119.483 119.600 -0.224 0.000 2.080 1567 M HA -0.191 4.251 4.480 -0.064 0.000 0.260 1567 M C 2.310 178.465 176.300 -0.243 0.000 1.068 1567 M CA 1.219 56.394 55.300 -0.210 0.000 1.109 1567 M CB -0.165 32.320 32.600 -0.192 0.000 1.342 1567 M HN 0.040 nan 8.290 nan 0.000 0.405 1568 V N -0.578 119.109 119.914 -0.379 0.000 2.323 1568 V HA -0.284 3.797 4.120 -0.064 0.000 0.244 1568 V C 2.463 178.452 176.094 -0.176 0.000 1.041 1568 V CA 1.770 63.881 62.300 -0.315 0.000 1.025 1568 V CB -0.699 30.860 31.823 -0.440 0.000 0.656 1568 V HN 0.703 nan 8.190 nan 0.000 0.451 1569 C N 1.286 120.489 119.300 -0.161 0.000 2.401 1569 C HA -0.199 4.223 4.460 -0.064 0.000 0.276 1569 C C 3.370 178.315 174.990 -0.075 0.000 1.233 1569 C CA 1.832 60.795 59.018 -0.092 0.000 1.753 1569 C CB -1.137 26.553 27.740 -0.082 0.000 2.029 1569 C HN 0.776 nan 8.230 nan 0.000 0.478 1570 S N 0.261 115.908 115.700 -0.088 0.000 2.382 1570 S HA -0.141 4.290 4.470 -0.064 0.000 0.228 1570 S C 1.918 176.483 174.600 -0.059 0.000 1.027 1570 S CA 1.740 59.900 58.200 -0.066 0.000 0.991 1570 S CB -0.640 62.520 63.200 -0.066 0.000 0.823 1570 S HN 0.643 nan 8.310 nan 0.000 0.469 1571 I N 1.596 122.122 120.570 -0.075 0.000 2.716 1571 I HA 0.042 4.174 4.170 -0.064 0.000 0.259 1571 I C 1.929 178.018 176.117 -0.048 0.000 1.172 1571 I CA 1.072 62.332 61.300 -0.068 0.000 1.478 1571 I CB -0.541 37.403 38.000 -0.093 0.000 1.104 1571 I HN 0.316 nan 8.210 nan 0.000 0.439 1572 E N 0.695 120.873 120.200 -0.038 0.000 2.358 1572 E HA -0.009 4.303 4.350 -0.064 0.000 0.195 1572 E C 1.328 177.925 176.600 -0.005 0.000 1.010 1572 E CA 0.765 57.163 56.400 -0.003 0.000 0.856 1572 E CB -0.108 29.604 29.700 0.020 0.000 0.795 1572 E HN 0.555 nan 8.360 nan 0.000 0.504 1573 G N 1.636 110.426 108.800 -0.017 0.000 2.221 1573 G HA2 -0.279 3.643 3.960 -0.064 0.000 0.265 1573 G HA3 -0.279 3.643 3.960 -0.064 0.000 0.265 1573 G C 0.373 175.267 174.900 -0.009 0.000 1.041 1573 G CA 0.437 45.529 45.100 -0.014 0.000 0.807 1573 G HN 0.496 nan 8.290 nan 0.000 0.502 1574 A N -0.859 121.956 122.820 -0.008 0.000 2.252 1574 A HA 0.939 5.221 4.320 -0.064 0.000 0.305 1574 A C 1.576 179.159 177.584 -0.002 0.000 1.097 1574 A CA 0.566 52.603 52.037 0.001 0.000 0.849 1574 A CB 0.761 19.767 19.000 0.010 0.000 1.142 1574 A HN 1.629 nan 8.150 nan 0.000 0.499 1575 A N -0.574 122.251 122.820 0.008 0.000 2.021 1575 A HA 0.496 4.777 4.320 -0.064 0.000 0.216 1575 A C 1.083 178.670 177.584 0.006 0.000 1.163 1575 A CA 1.463 53.504 52.037 0.007 0.000 0.676 1575 A CB -0.422 18.589 19.000 0.018 0.000 0.818 1575 A HN 2.138 nan 8.150 nan 0.000 0.453 1576 G N -2.450 106.357 108.800 0.013 0.000 2.547 1576 G HA2 0.493 4.414 3.960 -0.064 0.000 0.291 1576 G HA3 0.493 4.414 3.960 -0.064 0.000 0.291 1576 G C -1.292 173.617 174.900 0.016 0.000 1.471 1576 G CA 0.018 45.121 45.100 0.005 0.000 0.798 1576 G HN 0.260 nan 8.290 nan 0.000 0.504 1577 S N -1.226 114.471 115.700 -0.005 0.000 2.548 1577 S HA 0.876 5.307 4.470 -0.064 0.000 0.286 1577 S C -0.316 174.281 174.600 -0.005 0.000 1.098 1577 S CA -0.107 58.096 58.200 0.006 0.000 0.930 1577 S CB 1.867 65.032 63.200 -0.058 0.000 1.070 1577 S HN 1.678 nan 8.310 nan 0.000 0.480 1578 A N 1.421 124.260 122.820 0.033 0.000 2.343 1578 A HA 0.859 5.141 4.320 -0.064 0.000 0.308 1578 A C -0.316 177.166 177.584 -0.170 0.000 1.092 1578 A CA -0.672 51.301 52.037 -0.106 0.000 0.751 1578 A CB 0.953 19.893 19.000 -0.099 0.000 1.203 1578 A HN 1.023 nan 8.150 nan 0.000 0.452 1579 A N 1.695 124.370 122.820 -0.243 0.000 2.303 1579 A HA 0.909 5.191 4.320 -0.064 0.000 0.317 1579 A C -0.779 176.549 177.584 -0.426 0.000 1.149 1579 A CA -0.200 51.801 52.037 -0.060 0.000 0.822 1579 A CB 0.243 19.352 19.000 0.181 0.000 1.131 1579 A HN 0.769 nan 8.150 nan 0.000 0.493 1580 F N -0.611 119.425 119.950 0.143 0.000 2.650 1580 F HA 0.533 5.020 4.527 -0.066 0.000 0.320 1580 F C 1.514 177.360 175.800 0.078 0.000 1.091 1580 F CA -0.077 57.986 58.000 0.106 0.000 0.962 1580 F CB 1.737 40.807 39.000 0.116 0.000 1.363 1580 F HN 0.613 nan 8.300 nan 0.000 0.482 1581 G N -0.280 108.686 108.800 0.277 0.000 2.559 1581 G HA2 0.265 4.187 3.960 -0.064 0.000 0.216 1581 G HA3 0.265 4.187 3.960 -0.064 0.000 0.216 1581 G C -0.162 174.819 174.900 0.136 0.000 1.126 1581 G CA 0.963 46.157 45.100 0.156 0.000 0.778 1581 G HN 0.680 nan 8.290 nan 0.000 0.543 1582 S N -3.801 112.003 115.700 0.174 0.000 2.611 1582 S HA 0.479 4.911 4.470 -0.064 0.000 0.270 1582 S C 1.005 175.673 174.600 0.114 0.000 1.131 1582 S CA 0.194 58.463 58.200 0.114 0.000 0.826 1582 S CB 0.920 64.168 63.200 0.079 0.000 1.095 1582 S HN 0.476 nan 8.310 nan 0.000 0.461 1583 G N 0.846 109.694 108.800 0.080 0.000 2.469 1583 G HA2 -0.175 3.746 3.960 -0.064 0.000 0.220 1583 G HA3 -0.175 3.746 3.960 -0.064 0.000 0.220 1583 G C 1.143 176.056 174.900 0.023 0.000 1.136 1583 G CA 1.350 46.486 45.100 0.061 0.000 0.759 1583 G HN 0.561 nan 8.290 nan 0.000 0.562 1584 M N 1.066 120.687 119.600 0.034 0.000 2.159 1584 M HA 0.031 4.472 4.480 -0.064 0.000 0.263 1584 M C 2.811 179.089 176.300 -0.036 0.000 1.063 1584 M CA 1.107 56.422 55.300 0.025 0.000 1.110 1584 M CB -1.685 30.952 32.600 0.061 0.000 1.374 1584 M HN 0.263 nan 8.290 nan 0.000 0.411 1585 G N -0.195 108.581 108.800 -0.040 0.000 2.422 1585 G HA2 -0.074 3.847 3.960 -0.064 0.000 0.218 1585 G HA3 -0.074 3.847 3.960 -0.064 0.000 0.218 1585 G C 1.667 176.204 174.900 -0.605 0.000 1.146 1585 G CA 1.190 46.220 45.100 -0.118 0.000 0.769 1585 G HN 0.543 nan 8.290 nan 0.000 0.547 1586 A N 0.646 123.070 122.820 -0.659 0.000 1.898 1586 A HA 0.095 4.376 4.320 -0.064 0.000 0.216 1586 A C 2.396 179.737 177.584 -0.404 0.000 1.181 1586 A CA 1.197 52.683 52.037 -0.919 0.000 0.620 1586 A CB -0.305 18.558 19.000 -0.229 0.000 0.819 1586 A HN 0.374 nan 8.150 nan 0.000 0.442 1587 I N 0.527 121.005 120.570 -0.154 0.000 2.202 1587 I HA -0.234 3.898 4.170 -0.064 0.000 0.242 1587 I C 2.896 179.007 176.117 -0.011 0.000 1.091 1587 I CA 1.663 62.972 61.300 0.015 0.000 1.368 1587 I CB -0.242 37.789 38.000 0.051 0.000 1.058 1587 I HN 0.506 nan 8.210 nan 0.000 0.410 1588 S N -0.400 115.263 115.700 -0.061 0.000 2.406 1588 S HA -0.082 4.349 4.470 -0.064 0.000 0.228 1588 S C 1.978 176.459 174.600 -0.198 0.000 1.020 1588 S CA 1.119 59.301 58.200 -0.029 0.000 0.965 1588 S CB -0.384 62.843 63.200 0.045 0.000 0.798 1588 S HN 0.298 nan 8.310 nan 0.000 0.488 1589 S N 1.634 117.181 115.700 -0.255 0.000 2.481 1589 S HA 0.102 4.534 4.470 -0.064 0.000 0.231 1589 S C 1.725 176.156 174.600 -0.281 0.000 0.996 1589 S CA 0.897 58.864 58.200 -0.389 0.000 0.942 1589 S CB -0.275 62.877 63.200 -0.081 0.000 0.768 1589 S HN 0.611 nan 8.310 nan 0.000 0.520 1590 S N 0.661 116.300 115.700 -0.100 0.000 2.535 1590 S HA 0.046 4.477 4.470 -0.064 0.000 0.214 1590 S C 1.877 176.619 174.600 0.236 0.000 0.980 1590 S CA 0.730 59.012 58.200 0.136 0.000 0.907 1590 S CB 0.177 63.475 63.200 0.163 0.000 0.790 1590 S HN 0.818 nan 8.310 nan 0.000 0.510 1591 T N -0.233 114.365 114.554 0.072 0.000 3.151 1591 T HA 0.281 4.593 4.350 -0.064 0.000 0.239 1591 T C 1.567 176.257 174.700 -0.017 0.000 0.979 1591 T CA -0.130 62.026 62.100 0.093 0.000 1.194 1591 T CB -0.661 68.239 68.868 0.054 0.000 0.982 1591 T HN 0.188 nan 8.240 nan 0.000 0.428 1592 L N 1.645 122.755 121.223 -0.189 0.000 2.465 1592 L HA 0.269 4.570 4.340 -0.064 0.000 0.224 1592 L C 3.002 179.600 176.870 -0.454 0.000 1.145 1592 L CA 0.665 55.360 54.840 -0.242 0.000 0.834 1592 L CB -0.562 41.410 42.059 -0.144 0.000 0.944 1592 L HN 0.435 nan 8.230 nan 0.000 0.451 1593 A N -0.386 121.982 122.820 -0.753 0.000 2.067 1593 A HA -0.085 4.196 4.320 -0.064 0.000 0.219 1593 A C 1.785 178.947 177.584 -0.704 0.000 1.158 1593 A CA 1.365 52.968 52.037 -0.723 0.000 0.661 1593 A CB -0.351 18.131 19.000 -0.862 0.000 0.801 1593 A HN 0.414 nan 8.150 nan 0.000 0.452 1594 F N -1.275 118.628 119.950 -0.079 0.000 2.619 1594 F HA 0.358 4.846 4.527 -0.064 0.000 0.281 1594 F C 0.539 176.320 175.800 -0.033 0.000 1.065 1594 F CA -0.411 57.567 58.000 -0.036 0.000 1.304 1594 F CB 0.063 39.045 39.000 -0.030 0.000 1.059 1594 F HN -0.118 nan 8.300 nan 0.000 0.648 1595 L N 2.364 123.657 121.223 0.117 0.000 2.371 1595 L HA 0.333 4.634 4.340 -0.064 0.000 0.272 1595 L C -0.117 176.781 176.870 0.047 0.000 1.124 1595 L CA -0.247 54.630 54.840 0.061 0.000 0.816 1595 L CB 0.894 42.963 42.059 0.016 0.000 1.129 1595 L HN 0.200 nan 8.230 nan 0.000 0.448 1596 Q N 2.193 122.021 119.800 0.046 0.000 2.544 1596 Q HA 0.370 4.672 4.340 -0.064 0.000 0.291 1596 Q C -0.996 175.037 176.000 0.054 0.000 1.068 1596 Q CA -1.197 54.635 55.803 0.048 0.000 0.785 1596 Q CB 1.811 30.571 28.738 0.036 0.000 1.481 1596 Q HN 0.381 nan 8.270 nan 0.000 0.430 1597 K N -0.289 120.150 120.400 0.064 0.000 2.511 1597 K HA -0.001 4.281 4.320 -0.064 0.000 0.277 1597 K C 0.631 177.256 176.600 0.041 0.000 1.025 1597 K CA 1.933 58.258 56.287 0.062 0.000 1.112 1597 K CB -0.632 31.905 32.500 0.062 0.000 0.859 1597 K HN 0.933 nan 8.250 nan 0.000 0.485 1598 G N 3.120 111.941 108.800 0.035 0.000 2.234 1598 G HA2 -0.209 3.713 3.960 -0.064 0.000 0.235 1598 G HA3 -0.209 3.713 3.960 -0.064 0.000 0.235 1598 G C -0.291 174.622 174.900 0.023 0.000 0.997 1598 G CA 0.227 45.341 45.100 0.023 0.000 0.623 1598 G HN 0.720 nan 8.290 nan 0.000 0.514 1599 D N 0.076 120.492 120.400 0.027 0.000 2.354 1599 D HA 0.584 5.185 4.640 -0.064 0.000 0.247 1599 D C 0.177 176.500 176.300 0.037 0.000 1.138 1599 D CA 0.138 54.151 54.000 0.021 0.000 0.958 1599 D CB 0.996 41.801 40.800 0.009 0.000 1.144 1599 D HN 0.413 nan 8.370 nan 0.000 0.458 1600 H N -0.101 118.898 119.070 -0.118 0.000 2.538 1600 H HA 0.552 5.069 4.556 -0.064 0.000 0.353 1600 H C -1.671 173.529 175.328 -0.212 0.000 1.109 1600 H CA -0.942 55.009 56.048 -0.162 0.000 1.192 1600 H CB 0.943 30.589 29.762 -0.194 0.000 1.555 1600 H HN 0.174 nan 8.280 nan 0.000 0.518 1601 L N 5.768 126.576 121.223 -0.691 0.000 2.341 1601 L HA 0.544 4.846 4.340 -0.064 0.000 0.278 1601 L C -1.485 174.912 176.870 -0.787 0.000 1.005 1601 L CA -0.429 54.023 54.840 -0.646 0.000 0.818 1601 L CB 1.075 42.837 42.059 -0.494 0.000 1.259 1601 L HN 0.719 nan 8.230 nan 0.000 0.418 1602 I N 5.145 125.364 120.570 -0.584 0.000 2.321 1602 I HA 0.680 4.812 4.170 -0.064 0.000 0.291 1602 I C 0.047 176.075 176.117 -0.147 0.000 0.998 1602 I CA -0.233 60.867 61.300 -0.333 0.000 1.227 1602 I CB 1.529 39.390 38.000 -0.233 0.000 1.368 1602 I HN 0.833 nan 8.210 nan 0.000 0.466 1603 A N 4.715 127.502 122.820 -0.055 0.000 2.374 1603 A HA 0.795 5.077 4.320 -0.064 0.000 0.317 1603 A C 0.194 177.866 177.584 0.147 0.000 1.094 1603 A CA -0.635 51.473 52.037 0.119 0.000 0.765 1603 A CB 1.141 20.265 19.000 0.206 0.000 1.268 1603 A HN 0.764 nan 8.150 nan 0.000 0.438 1604 G N 0.542 109.463 108.800 0.201 0.000 2.391 1604 G HA2 0.286 4.207 3.960 -0.064 0.000 0.234 1604 G HA3 0.286 4.207 3.960 -0.064 0.000 0.234 1604 G C 0.343 175.323 174.900 0.133 0.000 1.284 1604 G CA 0.538 45.725 45.100 0.146 0.000 0.873 1604 G HN 0.850 nan 8.290 nan 0.000 0.549 1605 D N -0.687 119.768 120.400 0.091 0.000 2.347 1605 D HA -0.048 4.553 4.640 -0.064 0.000 0.215 1605 D C 1.170 177.510 176.300 0.066 0.000 0.976 1605 D CA 0.850 54.894 54.000 0.073 0.000 0.884 1605 D CB 0.105 40.936 40.800 0.052 0.000 0.915 1605 D HN 0.356 nan 8.370 nan 0.000 0.526 1606 T N -0.243 114.352 114.554 0.070 0.000 2.815 1606 T HA 0.597 4.908 4.350 -0.064 0.000 0.289 1606 T C -0.886 173.859 174.700 0.075 0.000 1.000 1606 T CA -0.786 61.348 62.100 0.057 0.000 0.958 1606 T CB 0.162 69.046 68.868 0.027 0.000 0.944 1606 T HN 0.074 nan 8.240 nan 0.000 0.442 1607 L N 3.563 124.845 121.223 0.098 0.000 2.409 1607 L HA 0.543 4.844 4.340 -0.064 0.000 0.255 1607 L C -0.746 176.227 176.870 0.171 0.000 1.027 1607 L CA -1.741 53.163 54.840 0.106 0.000 0.834 1607 L CB 1.600 43.692 42.059 0.054 0.000 1.426 1607 L HN 0.636 nan 8.230 nan 0.000 0.411 1608 Y N 0.902 121.212 120.300 0.016 0.000 2.904 1608 Y HA -0.001 4.511 4.550 -0.063 0.000 0.336 1608 Y C 1.294 177.060 175.900 -0.224 0.000 1.263 1608 Y CA 0.715 58.779 58.100 -0.061 0.000 1.547 1608 Y CB 1.074 39.500 38.460 -0.058 0.000 1.272 1608 Y HN 0.705 nan 8.280 nan 0.000 0.596 1609 G N 3.418 111.458 108.800 -1.266 0.000 2.556 1609 G HA2 -0.338 3.584 3.960 -0.064 0.000 0.220 1609 G HA3 -0.338 3.584 3.960 -0.064 0.000 0.220 1609 G C 1.476 175.886 174.900 -0.817 0.000 1.156 1609 G CA 1.269 45.757 45.100 -1.020 0.000 0.766 1609 G HN 0.812 nan 8.290 nan 0.000 0.583 1610 C N 0.487 119.085 119.300 -1.170 0.000 2.448 1610 C HA 0.081 4.502 4.460 -0.064 0.000 0.280 1610 C C 3.167 177.958 174.990 -0.331 0.000 1.398 1610 C CA 1.237 59.944 59.018 -0.518 0.000 1.774 1610 C CB -0.955 26.651 27.740 -0.222 0.000 1.888 1610 C HN 0.476 nan 8.230 nan 0.000 0.519 1611 T N 1.115 115.449 114.554 -0.366 0.000 2.737 1611 T HA -0.129 4.183 4.350 -0.064 0.000 0.265 1611 T C 1.935 176.253 174.700 -0.637 0.000 1.038 1611 T CA 1.468 63.251 62.100 -0.530 0.000 1.144 1611 T CB -0.351 68.230 68.868 -0.478 0.000 0.866 1611 T HN 0.353 nan 8.240 nan 0.000 0.434 1612 V N 1.598 121.275 119.914 -0.395 0.000 2.250 1612 V HA -0.234 3.847 4.120 -0.064 0.000 0.250 1612 V C 2.762 178.759 176.094 -0.161 0.000 1.060 1612 V CA 2.209 64.374 62.300 -0.225 0.000 1.030 1612 V CB -1.031 30.701 31.823 -0.152 0.000 0.643 1612 V HN 0.536 nan 8.190 nan 0.000 0.445 1613 S N -0.457 115.137 115.700 -0.177 0.000 2.370 1613 S HA -0.225 4.207 4.470 -0.064 0.000 0.226 1613 S C 1.930 176.551 174.600 0.035 0.000 1.033 1613 S CA 2.147 60.291 58.200 -0.093 0.000 1.011 1613 S CB -0.404 62.734 63.200 -0.102 0.000 0.852 1613 S HN 0.421 nan 8.310 nan 0.000 0.457 1614 L N 0.865 122.117 121.223 0.048 0.000 1.994 1614 L HA 0.071 4.372 4.340 -0.064 0.000 0.208 1614 L C 2.064 179.119 176.870 0.308 0.000 1.071 1614 L CA 2.009 56.992 54.840 0.238 0.000 0.745 1614 L CB -0.929 41.166 42.059 0.059 0.000 0.892 1614 L HN 0.507 nan 8.230 nan 0.000 0.431 1615 F N -1.790 118.154 119.950 -0.010 0.000 2.325 1615 F HA -0.151 4.337 4.527 -0.065 0.000 0.299 1615 F C 2.181 177.950 175.800 -0.051 0.000 1.090 1615 F CA 0.844 58.812 58.000 -0.053 0.000 1.392 1615 F CB -0.183 38.750 39.000 -0.111 0.000 1.053 1615 F HN 0.133 nan 8.300 nan 0.000 0.521 1616 T N -2.575 112.058 114.554 0.131 0.000 3.039 1616 T HA -0.057 4.254 4.350 -0.064 0.000 0.250 1616 T C 1.624 176.299 174.700 -0.040 0.000 1.052 1616 T CA 0.512 62.631 62.100 0.031 0.000 1.125 1616 T CB -0.000 68.872 68.868 0.008 0.000 0.908 1616 T HN 0.329 nan 8.240 nan 0.000 0.473 1617 H N -1.614 117.336 119.070 -0.199 0.000 2.393 1617 H HA 0.079 4.597 4.556 -0.064 0.000 0.301 1617 H C 1.680 176.714 175.328 -0.492 0.000 1.019 1617 H CA 0.535 56.324 56.048 -0.430 0.000 1.311 1617 H CB 0.124 29.487 29.762 -0.665 0.000 1.475 1617 H HN 0.365 nan 8.280 nan 0.000 0.572 1618 W N 1.441 122.692 121.300 -0.081 0.000 2.488 1618 W HA 0.045 4.666 4.660 -0.065 0.000 0.304 1618 W C 2.636 178.899 176.519 -0.426 0.000 1.175 1618 W CA 0.086 57.260 57.345 -0.284 0.000 1.365 1618 W CB -0.259 29.181 29.460 -0.033 0.000 1.131 1618 W HN 0.036 nan 8.180 nan 0.000 0.520 1619 L N 0.253 121.533 121.223 0.094 0.000 2.043 1619 L HA -0.177 4.125 4.340 -0.064 0.000 0.212 1619 L C -0.584 176.270 176.870 -0.026 0.000 1.075 1619 L CA 1.493 56.392 54.840 0.098 0.000 0.752 1619 L CB -2.405 39.709 42.059 0.092 0.000 0.891 1619 L HN -0.040 nan 8.230 nan 0.000 0.432 1620 P HA -0.076 nan 4.420 nan 0.000 0.225 1620 P C 1.368 178.570 177.300 -0.164 0.000 1.156 1620 P CA 0.981 64.016 63.100 -0.109 0.000 0.787 1620 P CB -0.048 31.578 31.700 -0.123 0.000 0.802 1621 R N -1.216 119.083 120.500 -0.335 0.000 2.193 1621 R HA -0.001 4.301 4.340 -0.064 0.000 0.229 1621 R C 1.265 177.467 176.300 -0.164 0.000 1.110 1621 R CA 1.037 56.924 56.100 -0.355 0.000 0.988 1621 R CB -0.574 29.394 30.300 -0.553 0.000 0.871 1621 R HN 0.301 nan 8.270 nan 0.000 0.458 1622 F N -0.577 119.408 119.950 0.060 0.000 2.641 1622 F HA 0.265 4.753 4.527 -0.065 0.000 0.302 1622 F C 1.266 177.087 175.800 0.034 0.000 1.098 1622 F CA -0.170 57.867 58.000 0.061 0.000 1.318 1622 F CB 1.017 40.068 39.000 0.086 0.000 1.035 1622 F HN 0.121 nan 8.300 nan 0.000 0.551 1623 G N 1.832 110.714 108.800 0.136 0.000 2.147 1623 G HA2 -0.312 3.609 3.960 -0.064 0.000 0.244 1623 G HA3 -0.312 3.609 3.960 -0.064 0.000 0.244 1623 G C -0.080 174.859 174.900 0.066 0.000 1.005 1623 G CA -0.299 44.848 45.100 0.078 0.000 0.713 1623 G HN 0.365 nan 8.290 nan 0.000 0.515 1624 I N 1.065 121.675 120.570 0.067 0.000 2.315 1624 I HA 0.304 4.436 4.170 -0.064 0.000 0.291 1624 I C 0.507 176.628 176.117 0.007 0.000 1.006 1624 I CA -0.661 60.660 61.300 0.036 0.000 1.265 1624 I CB 1.064 39.086 38.000 0.037 0.000 1.387 1624 I HN 0.150 nan 8.210 nan 0.000 0.475 1625 E N 5.638 125.854 120.200 0.027 0.000 2.313 1625 E HA 0.414 4.726 4.350 -0.064 0.000 0.276 1625 E C -1.040 175.580 176.600 0.032 0.000 1.031 1625 E CA -0.465 55.974 56.400 0.065 0.000 0.857 1625 E CB 1.736 31.519 29.700 0.138 0.000 1.040 1625 E HN 0.253 nan 8.360 nan 0.000 0.408 1626 V N 3.558 123.470 119.914 -0.002 0.000 2.577 1626 V HA 0.232 4.314 4.120 -0.064 0.000 0.303 1626 V C -0.815 175.266 176.094 -0.021 0.000 1.042 1626 V CA -0.896 61.344 62.300 -0.100 0.000 0.872 1626 V CB 1.997 33.758 31.823 -0.105 0.000 0.998 1626 V HN 0.663 nan 8.190 nan 0.000 0.423 1627 D N 4.504 124.875 120.400 -0.048 0.000 2.502 1627 D HA 0.473 5.074 4.640 -0.064 0.000 0.249 1627 D C -0.645 175.653 176.300 -0.002 0.000 1.092 1627 D CA -0.297 53.717 54.000 0.024 0.000 0.839 1627 D CB 2.684 43.549 40.800 0.109 0.000 1.264 1627 D HN 0.300 nan 8.370 nan 0.000 0.511 1628 L N 3.791 125.033 121.223 0.032 0.000 2.265 1628 L HA 0.522 4.824 4.340 -0.064 0.000 0.288 1628 L C 0.419 177.319 176.870 0.050 0.000 1.058 1628 L CA -0.570 54.302 54.840 0.054 0.000 0.809 1628 L CB 0.432 42.531 42.059 0.068 0.000 1.179 1628 L HN 0.344 nan 8.230 nan 0.000 0.429 1629 I N -0.985 119.619 120.570 0.056 0.000 3.174 1629 I HA 0.480 4.612 4.170 -0.064 0.000 0.313 1629 I C -0.598 175.554 176.117 0.059 0.000 1.155 1629 I CA -1.026 60.307 61.300 0.055 0.000 0.977 1629 I CB 2.170 40.205 38.000 0.059 0.000 1.248 1629 I HN 0.296 nan 8.210 nan 0.000 0.453 1630 D N 2.085 122.516 120.400 0.051 0.000 2.383 1630 D HA 0.137 4.738 4.640 -0.064 0.000 0.245 1630 D C 1.065 177.396 176.300 0.053 0.000 1.263 1630 D CA 0.107 54.135 54.000 0.047 0.000 0.936 1630 D CB 0.691 41.511 40.800 0.035 0.000 1.053 1630 D HN 0.728 nan 8.370 nan 0.000 0.507 1631 T N -0.458 114.131 114.554 0.059 0.000 3.148 1631 T HA -0.078 4.234 4.350 -0.064 0.000 0.253 1631 T C 1.688 176.419 174.700 0.052 0.000 1.134 1631 T CA 0.409 62.547 62.100 0.063 0.000 1.051 1631 T CB -0.286 68.624 68.868 0.070 0.000 0.959 1631 T HN 0.248 nan 8.240 nan 0.000 0.525 1632 S N 0.392 116.118 115.700 0.044 0.000 2.555 1632 S HA -0.001 4.431 4.470 -0.064 0.000 0.230 1632 S C 0.393 175.009 174.600 0.027 0.000 0.978 1632 S CA 0.066 58.286 58.200 0.034 0.000 0.934 1632 S CB -0.294 62.918 63.200 0.021 0.000 0.766 1632 S HN 0.493 nan 8.310 nan 0.000 0.533 1633 D N 0.670 121.089 120.400 0.032 0.000 2.469 1633 D HA 0.274 4.876 4.640 -0.064 0.000 0.251 1633 D C 0.641 176.965 176.300 0.040 0.000 1.173 1633 D CA -0.546 53.471 54.000 0.029 0.000 0.882 1633 D CB 1.706 42.521 40.800 0.025 0.000 1.129 1633 D HN -0.063 nan 8.370 nan 0.000 0.549 1634 V N 4.451 124.386 119.914 0.035 0.000 2.407 1634 V HA -0.165 3.916 4.120 -0.064 0.000 0.248 1634 V C 1.695 177.815 176.094 0.044 0.000 1.055 1634 V CA 1.764 64.088 62.300 0.041 0.000 1.049 1634 V CB -0.091 31.747 31.823 0.025 0.000 0.662 1634 V HN 0.489 nan 8.190 nan 0.000 0.455 1635 E N 0.235 120.454 120.200 0.032 0.000 2.160 1635 E HA -0.242 4.069 4.350 -0.064 0.000 0.195 1635 E C 2.176 178.808 176.600 0.054 0.000 0.991 1635 E CA 1.389 57.808 56.400 0.033 0.000 0.810 1635 E CB -0.327 29.386 29.700 0.022 0.000 0.742 1635 E HN 0.648 nan 8.360 nan 0.000 0.466 1636 K N 0.409 120.843 120.400 0.057 0.000 2.097 1636 K HA -0.062 4.220 4.320 -0.064 0.000 0.205 1636 K C 2.225 178.888 176.600 0.106 0.000 1.050 1636 K CA 0.954 57.282 56.287 0.070 0.000 0.938 1636 K CB -0.029 32.506 32.500 0.057 0.000 0.718 1636 K HN -0.035 nan 8.250 nan 0.000 0.442 1637 V N 1.900 121.889 119.914 0.124 0.000 2.295 1637 V HA -0.257 3.825 4.120 -0.064 0.000 0.246 1637 V C 2.022 178.294 176.094 0.296 0.000 1.049 1637 V CA 1.698 64.120 62.300 0.202 0.000 1.024 1637 V CB -0.419 31.526 31.823 0.205 0.000 0.648 1637 V HN 0.281 nan 8.190 nan 0.000 0.447 1638 K N 0.369 120.881 120.400 0.186 0.000 2.152 1638 K HA -0.154 4.127 4.320 -0.064 0.000 0.206 1638 K C 2.213 178.926 176.600 0.187 0.000 1.048 1638 K CA 1.532 57.905 56.287 0.144 0.000 0.933 1638 K CB -0.364 32.149 32.500 0.021 0.000 0.721 1638 K HN 0.507 nan 8.250 nan 0.000 0.447 1639 A N 1.099 124.007 122.820 0.147 0.000 1.970 1639 A HA 0.058 4.340 4.320 -0.064 0.000 0.216 1639 A C 2.219 179.887 177.584 0.140 0.000 1.170 1639 A CA 1.276 53.384 52.037 0.119 0.000 0.645 1639 A CB -0.281 18.766 19.000 0.077 0.000 0.816 1639 A HN 0.288 nan 8.150 nan 0.000 0.447 1640 A N -1.800 121.121 122.820 0.168 0.000 2.167 1640 A HA 0.044 4.325 4.320 -0.064 0.000 0.214 1640 A C 0.882 178.571 177.584 0.175 0.000 1.151 1640 A CA -0.298 51.829 52.037 0.150 0.000 0.735 1640 A CB -0.434 18.651 19.000 0.141 0.000 0.802 1640 A HN 0.668 nan 8.150 nan 0.000 0.467 1641 W N 1.554 122.895 121.300 0.068 0.000 2.193 1641 W HA 0.260 4.881 4.660 -0.066 0.000 0.338 1641 W C -0.241 176.287 176.519 0.014 0.000 1.310 1641 W CA 0.718 58.104 57.345 0.069 0.000 1.243 1641 W CB 0.365 29.851 29.460 0.042 0.000 1.165 1641 W HN 0.132 nan 8.180 nan 0.000 0.566 1642 K N 4.475 124.815 120.400 -0.100 0.000 2.433 1642 K HA 0.258 4.540 4.320 -0.064 0.000 0.252 1642 K C -1.757 174.875 176.600 0.054 0.000 1.015 1642 K CA -1.580 54.670 56.287 -0.061 0.000 0.860 1642 K CB 1.955 34.266 32.500 -0.316 0.000 1.359 1642 K HN 0.010 nan 8.250 nan 0.000 0.452 1643 P HA -0.147 nan 4.420 nan 0.000 0.220 1643 P C 0.229 177.561 177.300 0.053 0.000 1.148 1643 P CA 1.239 64.392 63.100 0.088 0.000 0.803 1643 P CB 0.097 31.825 31.700 0.045 0.000 0.782 1644 N N -2.074 116.619 118.700 -0.011 0.000 2.276 1644 N HA 0.012 4.714 4.740 -0.064 0.000 0.212 1644 N C -0.416 175.084 175.510 -0.017 0.000 1.127 1644 N CA 0.200 53.247 53.050 -0.006 0.000 0.834 1644 N CB -0.991 37.489 38.487 -0.012 0.000 1.014 1644 N HN -0.106 nan 8.380 nan 0.000 0.491 1645 T N 1.567 116.061 114.554 -0.099 0.000 2.799 1645 T HA 0.158 4.470 4.350 -0.064 0.000 0.296 1645 T C 0.945 175.534 174.700 -0.184 0.000 0.947 1645 T CA -0.131 61.808 62.100 -0.268 0.000 1.141 1645 T CB 1.260 69.543 68.868 -0.974 0.000 0.891 1645 T HN 0.088 nan 8.240 nan 0.000 0.533 1646 K N 2.318 122.620 120.400 -0.162 0.000 2.412 1646 K HA 0.337 4.618 4.320 -0.064 0.000 0.202 1646 K C 0.187 176.733 176.600 -0.091 0.000 1.102 1646 K CA 0.139 56.383 56.287 -0.071 0.000 1.027 1646 K CB 0.786 33.269 32.500 -0.030 0.000 0.931 1646 K HN 0.570 nan 8.250 nan 0.000 0.557 1647 M N 0.661 120.153 119.600 -0.180 0.000 2.471 1647 M HA 0.266 4.708 4.480 -0.064 0.000 0.284 1647 M C -1.861 174.330 176.300 -0.181 0.000 1.203 1647 M CA -0.641 54.577 55.300 -0.136 0.000 0.915 1647 M CB 2.343 34.875 32.600 -0.114 0.000 1.734 1647 M HN -0.303 nan 8.290 nan 0.000 0.485 1648 V N 3.559 123.436 119.914 -0.062 0.000 2.555 1648 V HA 0.505 4.587 4.120 -0.064 0.000 0.302 1648 V C -1.587 174.536 176.094 0.049 0.000 1.038 1648 V CA -0.547 61.741 62.300 -0.021 0.000 0.887 1648 V CB 1.855 33.719 31.823 0.068 0.000 0.991 1648 V HN 0.757 nan 8.190 nan 0.000 0.434 1649 Y N 5.580 125.850 120.300 -0.051 0.000 2.350 1649 Y HA 0.772 5.285 4.550 -0.062 0.000 0.338 1649 Y C -1.059 174.889 175.900 0.080 0.000 0.961 1649 Y CA -0.839 57.277 58.100 0.027 0.000 1.100 1649 Y CB 1.422 39.914 38.460 0.055 0.000 1.179 1649 Y HN 0.527 nan 8.280 nan 0.000 0.454 1650 L N 5.496 126.530 121.223 -0.316 0.000 2.381 1650 L HA 0.569 4.870 4.340 -0.064 0.000 0.268 1650 L C -0.822 175.897 176.870 -0.251 0.000 0.997 1650 L CA -0.941 53.814 54.840 -0.142 0.000 0.818 1650 L CB 2.434 44.447 42.059 -0.077 0.000 1.310 1650 L HN 0.570 nan 8.230 nan 0.000 0.416 1651 E N 1.168 121.333 120.200 -0.057 0.000 2.179 1651 E HA 0.596 4.908 4.350 -0.064 0.000 0.275 1651 E C -1.124 175.455 176.600 -0.034 0.000 0.945 1651 E CA -0.386 55.976 56.400 -0.063 0.000 0.792 1651 E CB 2.229 31.911 29.700 -0.030 0.000 1.125 1651 E HN 0.406 nan 8.360 nan 0.000 0.397 1652 S N 3.285 118.970 115.700 -0.024 0.000 2.592 1652 S HA 0.384 4.815 4.470 -0.064 0.000 0.275 1652 S C -2.799 171.844 174.600 0.071 0.000 1.169 1652 S CA -1.406 56.811 58.200 0.028 0.000 0.958 1652 S CB 0.995 64.217 63.200 0.036 0.000 1.095 1652 S HN 0.180 nan 8.310 nan 0.000 0.471 1653 P HA 0.350 nan 4.420 nan 0.000 0.269 1653 P C -0.839 176.437 177.300 -0.041 0.000 1.215 1653 P CA -0.286 62.878 63.100 0.107 0.000 0.780 1653 P CB 0.419 32.225 31.700 0.176 0.000 0.898 1654 A N 2.101 124.890 122.820 -0.053 0.000 2.322 1654 A HA 0.300 4.581 4.320 -0.064 0.000 0.269 1654 A C 0.314 177.655 177.584 -0.406 0.000 1.094 1654 A CA -0.248 51.687 52.037 -0.170 0.000 0.807 1654 A CB -0.203 18.779 19.000 -0.031 0.000 1.047 1654 A HN 0.566 nan 8.150 nan 0.000 0.487 1655 N N 1.374 119.767 118.700 -0.511 0.000 2.422 1655 N HA 0.396 5.098 4.740 -0.064 0.000 0.266 1655 N C -2.221 173.258 175.510 -0.051 0.000 1.007 1655 N CA -2.125 50.650 53.050 -0.458 0.000 0.941 1655 N CB 1.615 39.867 38.487 -0.392 0.000 1.115 1655 N HN 0.280 nan 8.380 nan 0.000 0.492 1656 P HA 0.137 nan 4.420 nan 0.000 0.282 1656 P C 0.601 177.957 177.300 0.093 0.000 1.327 1656 P CA 0.268 63.401 63.100 0.056 0.000 0.949 1656 P CB 0.294 31.974 31.700 -0.034 0.000 1.445 1657 T N -4.333 110.243 114.554 0.038 0.000 3.088 1657 T HA 0.021 4.332 4.350 -0.064 0.000 0.259 1657 T C 1.035 175.859 174.700 0.206 0.000 1.122 1657 T CA 0.445 62.615 62.100 0.116 0.000 1.095 1657 T CB -1.462 67.464 68.868 0.097 0.000 0.930 1657 T HN 0.048 nan 8.240 nan 0.000 0.508 1658 C N 1.179 120.578 119.300 0.165 0.000 4.465 1658 C HA -0.120 4.302 4.460 -0.064 0.000 0.274 1658 C C 0.642 175.837 174.990 0.342 0.000 1.337 1658 C CA 0.042 59.161 59.018 0.168 0.000 1.822 1658 C CB -2.531 25.188 27.740 -0.035 0.000 1.357 1658 C HN 0.769 nan 8.230 nan 0.000 0.753 1659 K N 0.894 121.478 120.400 0.306 0.000 2.472 1659 K HA 0.280 4.562 4.320 -0.064 0.000 0.280 1659 K C 0.140 176.869 176.600 0.215 0.000 1.028 1659 K CA 0.357 56.808 56.287 0.273 0.000 1.045 1659 K CB 0.517 33.097 32.500 0.135 0.000 0.902 1659 K HN 0.344 nan 8.250 nan 0.000 0.478 1660 V N 3.552 123.603 119.914 0.229 0.000 2.439 1660 V HA 0.154 4.236 4.120 -0.064 0.000 0.282 1660 V C -0.007 176.148 176.094 0.101 0.000 1.039 1660 V CA -0.423 61.984 62.300 0.178 0.000 0.913 1660 V CB 1.636 33.596 31.823 0.227 0.000 0.983 1660 V HN 0.774 nan 8.190 nan 0.000 0.460 1661 S N 2.222 117.969 115.700 0.078 0.000 2.578 1661 S HA 0.331 4.762 4.470 -0.064 0.000 0.301 1661 S C -0.459 174.169 174.600 0.047 0.000 1.091 1661 S CA -0.526 57.707 58.200 0.055 0.000 1.032 1661 S CB 1.504 64.731 63.200 0.046 0.000 1.064 1661 S HN 0.876 nan 8.310 nan 0.000 0.508 1662 D N 2.009 122.432 120.400 0.038 0.000 2.453 1662 D HA 0.224 4.826 4.640 -0.064 0.000 0.223 1662 D C 0.947 177.260 176.300 0.023 0.000 1.183 1662 D CA -0.222 53.795 54.000 0.029 0.000 0.933 1662 D CB -0.209 40.605 40.800 0.024 0.000 1.038 1662 D HN 0.427 nan 8.370 nan 0.000 0.513 1663 I N 2.567 123.147 120.570 0.018 0.000 2.179 1663 I HA -0.217 3.915 4.170 -0.064 0.000 0.242 1663 I C 2.409 178.529 176.117 0.005 0.000 1.088 1663 I CA 0.710 62.015 61.300 0.009 0.000 1.357 1663 I CB -0.051 37.950 38.000 0.001 0.000 1.051 1663 I HN 0.322 nan 8.210 nan 0.000 0.409 1664 K N 0.981 121.381 120.400 0.001 0.000 2.032 1664 K HA -0.157 4.124 4.320 -0.064 0.000 0.209 1664 K C 2.150 178.747 176.600 -0.005 0.000 1.048 1664 K CA 1.637 57.920 56.287 -0.007 0.000 0.927 1664 K CB -0.406 32.089 32.500 -0.010 0.000 0.712 1664 K HN 0.414 nan 8.250 nan 0.000 0.441 1665 G N 0.949 109.749 108.800 0.001 0.000 2.418 1665 G HA2 -0.222 3.700 3.960 -0.064 0.000 0.217 1665 G HA3 -0.222 3.700 3.960 -0.064 0.000 0.217 1665 G C 1.461 176.365 174.900 0.006 0.000 1.158 1665 G CA 0.840 45.941 45.100 0.001 0.000 0.771 1665 G HN 0.229 nan 8.290 nan 0.000 0.545 1666 I N 1.322 121.905 120.570 0.021 0.000 2.353 1666 I HA -0.080 4.051 4.170 -0.064 0.000 0.248 1666 I C 3.237 179.380 176.117 0.043 0.000 1.119 1666 I CA 0.736 62.062 61.300 0.043 0.000 1.417 1666 I CB -0.120 37.918 38.000 0.064 0.000 1.078 1666 I HN 0.230 nan 8.210 nan 0.000 0.421 1667 A N 0.598 123.434 122.820 0.027 0.000 1.908 1667 A HA -0.166 4.115 4.320 -0.064 0.000 0.218 1667 A C 2.448 180.052 177.584 0.034 0.000 1.181 1667 A CA 1.806 53.860 52.037 0.028 0.000 0.627 1667 A CB -0.997 18.005 19.000 0.003 0.000 0.818 1667 A HN 0.223 nan 8.150 nan 0.000 0.445 1668 V N -0.258 119.661 119.914 0.008 0.000 2.282 1668 V HA -0.282 3.800 4.120 -0.064 0.000 0.249 1668 V C 2.590 178.681 176.094 -0.005 0.000 1.057 1668 V CA 2.168 64.474 62.300 0.009 0.000 1.032 1668 V CB -0.929 30.886 31.823 -0.014 0.000 0.645 1668 V HN 0.389 nan 8.190 nan 0.000 0.447 1669 V N -0.994 118.887 119.914 -0.055 0.000 2.287 1669 V HA -0.325 3.757 4.120 -0.064 0.000 0.248 1669 V C 2.519 178.489 176.094 -0.206 0.000 1.053 1669 V CA 2.384 64.578 62.300 -0.178 0.000 1.027 1669 V CB -0.833 30.874 31.823 -0.193 0.000 0.646 1669 V HN 0.662 nan 8.190 nan 0.000 0.447 1670 C N -0.883 118.409 119.300 -0.013 0.000 2.446 1670 C HA -0.161 4.260 4.460 -0.064 0.000 0.277 1670 C C 2.683 177.723 174.990 0.083 0.000 1.275 1670 C CA 1.155 60.242 59.018 0.116 0.000 1.727 1670 C CB -1.375 26.468 27.740 0.173 0.000 2.010 1670 C HN 0.695 nan 8.230 nan 0.000 0.486 1671 H N 1.172 120.230 119.070 -0.019 0.000 2.321 1671 H HA -0.125 4.393 4.556 -0.064 0.000 0.300 1671 H C 2.036 177.340 175.328 -0.041 0.000 1.087 1671 H CA 1.865 57.899 56.048 -0.023 0.000 1.319 1671 H CB -0.206 29.539 29.762 -0.028 0.000 1.379 1671 H HN 0.564 nan 8.280 nan 0.000 0.501 1672 E N 0.122 120.270 120.200 -0.087 0.000 2.160 1672 E HA -0.149 4.162 4.350 -0.064 0.000 0.195 1672 E C 2.005 178.496 176.600 -0.181 0.000 0.991 1672 E CA 0.781 57.089 56.400 -0.154 0.000 0.810 1672 E CB 0.104 29.732 29.700 -0.120 0.000 0.742 1672 E HN 0.462 nan 8.360 nan 0.000 0.466 1673 R N -0.989 119.407 120.500 -0.173 0.000 2.437 1673 R HA 0.144 4.445 4.340 -0.064 0.000 0.257 1673 R C 0.453 176.800 176.300 0.079 0.000 0.927 1673 R CA 0.435 56.460 56.100 -0.125 0.000 1.078 1673 R CB 1.285 31.313 30.300 -0.454 0.000 1.161 1673 R HN 0.150 nan 8.270 nan 0.000 0.529 1674 G N 1.223 110.044 108.800 0.035 0.000 2.303 1674 G HA2 -0.190 3.731 3.960 -0.064 0.000 0.260 1674 G HA3 -0.190 3.731 3.960 -0.064 0.000 0.260 1674 G C -0.322 174.648 174.900 0.117 0.000 1.106 1674 G CA 0.104 45.233 45.100 0.048 0.000 0.900 1674 G HN 0.460 nan 8.290 nan 0.000 0.495 1675 A N -0.188 122.724 122.820 0.154 0.000 2.475 1675 A HA 0.904 5.185 4.320 -0.064 0.000 0.301 1675 A C 0.220 177.848 177.584 0.074 0.000 1.059 1675 A CA -0.749 51.380 52.037 0.153 0.000 0.710 1675 A CB 1.251 20.454 19.000 0.338 0.000 1.288 1675 A HN 0.495 nan 8.150 nan 0.000 0.408 1676 R N 0.107 120.598 120.500 -0.016 0.000 2.490 1676 R HA 0.445 4.746 4.340 -0.064 0.000 0.278 1676 R C -1.083 175.199 176.300 -0.030 0.000 1.069 1676 R CA -0.524 55.530 56.100 -0.076 0.000 1.080 1676 R CB 0.988 31.150 30.300 -0.230 0.000 1.030 1676 R HN 0.527 nan 8.270 nan 0.000 0.491 1677 L N 3.075 124.281 121.223 -0.028 0.000 2.305 1677 L HA 0.387 4.689 4.340 -0.064 0.000 0.284 1677 L C -1.210 175.626 176.870 -0.056 0.000 1.013 1677 L CA -0.482 54.349 54.840 -0.016 0.000 0.819 1677 L CB 1.943 44.006 42.059 0.007 0.000 1.227 1677 L HN 0.276 nan 8.230 nan 0.000 0.417 1678 V N 5.796 125.667 119.914 -0.072 0.000 2.487 1678 V HA 0.604 4.686 4.120 -0.064 0.000 0.298 1678 V C -0.592 175.328 176.094 -0.290 0.000 1.028 1678 V CA -0.670 61.561 62.300 -0.115 0.000 0.860 1678 V CB 1.889 33.718 31.823 0.011 0.000 0.991 1678 V HN 0.508 nan 8.190 nan 0.000 0.427 1679 V N 3.210 122.969 119.914 -0.258 0.000 2.487 1679 V HA 0.419 4.501 4.120 -0.064 0.000 0.298 1679 V C -0.548 175.365 176.094 -0.303 0.000 1.028 1679 V CA -0.585 61.538 62.300 -0.295 0.000 0.860 1679 V CB 2.041 33.768 31.823 -0.160 0.000 0.991 1679 V HN 0.885 nan 8.190 nan 0.000 0.427 1680 D N 4.086 124.276 120.400 -0.351 0.000 2.380 1680 D HA 0.454 5.055 4.640 -0.064 0.000 0.230 1680 D C 0.490 176.686 176.300 -0.173 0.000 1.154 1680 D CA -0.159 53.707 54.000 -0.224 0.000 0.859 1680 D CB 1.848 42.588 40.800 -0.101 0.000 1.045 1680 D HN 0.654 nan 8.370 nan 0.000 0.495 1681 A N 3.256 125.909 122.820 -0.279 0.000 2.500 1681 A HA 0.123 4.404 4.320 -0.064 0.000 0.267 1681 A C 1.840 179.500 177.584 0.126 0.000 1.290 1681 A CA -0.205 51.770 52.037 -0.103 0.000 0.928 1681 A CB -0.065 18.887 19.000 -0.079 0.000 1.066 1681 A HN 0.567 nan 8.150 nan 0.000 0.516 1682 T N 0.063 114.703 114.554 0.143 0.000 2.624 1682 T HA -0.247 4.065 4.350 -0.064 0.000 0.266 1682 T C 1.317 176.329 174.700 0.520 0.000 1.050 1682 T CA 2.194 64.525 62.100 0.385 0.000 1.163 1682 T CB -0.450 68.587 68.868 0.281 0.000 0.861 1682 T HN 0.475 nan 8.240 nan 0.000 0.443 1683 F N 1.240 121.317 119.950 0.212 0.000 2.451 1683 F HA 0.009 4.497 4.527 -0.065 0.000 0.299 1683 F C 2.462 178.386 175.800 0.206 0.000 1.101 1683 F CA 0.714 58.867 58.000 0.255 0.000 1.436 1683 F CB -0.465 38.633 39.000 0.164 0.000 1.074 1683 F HN 0.181 nan 8.300 nan 0.000 0.553 1684 T N -1.983 112.748 114.554 0.294 0.000 2.964 1684 T HA 0.168 4.480 4.350 -0.064 0.000 0.249 1684 T C 0.352 175.076 174.700 0.041 0.000 1.000 1684 T CA 0.701 62.890 62.100 0.148 0.000 0.992 1684 T CB -0.066 68.922 68.868 0.199 0.000 1.087 1684 T HN 0.235 nan 8.240 nan 0.000 0.489 1685 S N 1.474 117.246 115.700 0.121 0.000 3.461 1685 S HA -0.067 4.365 4.470 -0.064 0.000 0.820 1685 S C -2.816 171.767 174.600 -0.028 0.000 1.142 1685 S CA -0.190 58.005 58.200 -0.007 0.000 1.078 1685 S CB -1.192 61.888 63.200 -0.199 0.000 0.674 1685 S HN 0.155 nan 8.310 nan 0.000 0.333 1686 P HA 0.240 nan 4.420 nan 0.000 0.245 1686 P C 1.382 178.592 177.300 -0.150 0.000 1.212 1686 P CA 0.716 63.766 63.100 -0.084 0.000 0.774 1686 P CB -0.697 30.928 31.700 -0.125 0.000 0.999 1687 C N -1.749 117.364 119.300 -0.312 0.000 2.457 1687 C HA 0.041 4.463 4.460 -0.064 0.000 0.278 1687 C C 2.268 177.032 174.990 -0.377 0.000 1.309 1687 C CA 0.726 59.455 59.018 -0.482 0.000 1.735 1687 C CB -1.785 25.404 27.740 -0.919 0.000 1.992 1687 C HN 0.204 nan 8.230 nan 0.000 0.493 1688 F N -1.488 118.428 119.950 -0.058 0.000 2.712 1688 F HA 0.371 5.104 4.527 0.343 0.000 0.297 1688 F C 0.370 176.133 175.800 -0.063 0.000 1.114 1688 F CA -0.382 57.568 58.000 -0.084 0.000 1.305 1688 F CB 0.379 39.304 39.000 -0.126 0.000 1.086 1688 F HN -0.027 nan 8.300 nan 0.000 0.599 1689 L N 1.408 122.713 121.223 0.135 0.000 2.372 1689 L HA 0.439 4.741 4.340 -0.064 0.000 0.274 1689 L C -1.013 175.905 176.870 0.081 0.000 0.988 1689 L CA -0.627 54.271 54.840 0.097 0.000 0.833 1689 L CB 1.381 43.507 42.059 0.111 0.000 1.236 1689 L HN -0.087 nan 8.230 nan 0.000 0.410 1690 K N 6.665 127.096 120.400 0.050 0.000 2.540 1690 K HA 0.415 4.697 4.320 -0.064 0.000 0.218 1690 K C -2.023 174.591 176.600 0.024 0.000 1.017 1690 K CA -1.415 54.896 56.287 0.040 0.000 1.029 1690 K CB 1.281 33.794 32.500 0.021 0.000 1.348 1690 K HN 0.342 nan 8.250 nan 0.000 0.508 1691 P HA -0.139 nan 4.420 nan 0.000 0.218 1691 P C 0.818 178.114 177.300 -0.008 0.000 1.149 1691 P CA 0.943 64.041 63.100 -0.004 0.000 0.817 1691 P CB 0.244 31.928 31.700 -0.027 0.000 0.785 1692 L N -0.686 120.536 121.223 -0.002 0.000 2.131 1692 L HA -0.173 4.128 4.340 -0.064 0.000 0.210 1692 L C 2.324 179.187 176.870 -0.012 0.000 1.092 1692 L CA 1.462 56.298 54.840 -0.006 0.000 0.759 1692 L CB -0.963 41.096 42.059 0.001 0.000 0.903 1692 L HN -0.048 nan 8.230 nan 0.000 0.435 1693 E N 0.257 120.453 120.200 -0.008 0.000 2.268 1693 E HA -0.103 4.208 4.350 -0.064 0.000 0.195 1693 E C 1.789 178.379 176.600 -0.017 0.000 0.995 1693 E CA 0.677 57.070 56.400 -0.012 0.000 0.836 1693 E CB 0.040 29.736 29.700 -0.006 0.000 0.763 1693 E HN 0.439 nan 8.360 nan 0.000 0.491 1694 L N -1.532 119.681 121.223 -0.015 0.000 2.629 1694 L HA 0.301 4.602 4.340 -0.064 0.000 0.230 1694 L C 1.227 178.082 176.870 -0.026 0.000 1.151 1694 L CA 0.320 55.149 54.840 -0.018 0.000 0.924 1694 L CB 0.289 42.342 42.059 -0.011 0.000 1.137 1694 L HN 0.295 nan 8.230 nan 0.000 0.457 1695 G N -0.202 108.578 108.800 -0.032 0.000 2.179 1695 G HA2 -0.234 3.687 3.960 -0.064 0.000 0.220 1695 G HA3 -0.234 3.687 3.960 -0.064 0.000 0.220 1695 G C 0.430 175.314 174.900 -0.026 0.000 0.990 1695 G CA -0.115 44.960 45.100 -0.042 0.000 0.646 1695 G HN 0.463 nan 8.290 nan 0.000 0.517 1696 A N 0.230 123.037 122.820 -0.022 0.000 2.386 1696 A HA 0.559 4.840 4.320 -0.064 0.000 0.248 1696 A C 1.137 178.706 177.584 -0.025 0.000 1.082 1696 A CA 0.810 52.833 52.037 -0.023 0.000 0.789 1696 A CB 0.322 19.302 19.000 -0.033 0.000 1.025 1696 A HN 0.212 nan 8.150 nan 0.000 0.490 1697 D N 0.052 120.431 120.400 -0.035 0.000 2.271 1697 D HA 0.152 4.753 4.640 -0.064 0.000 0.206 1697 D C 0.024 176.300 176.300 -0.040 0.000 0.967 1697 D CA 1.304 55.276 54.000 -0.047 0.000 0.867 1697 D CB 0.275 41.022 40.800 -0.088 0.000 0.960 1697 D HN 0.485 nan 8.370 nan 0.000 0.509 1698 I N 0.392 120.940 120.570 -0.037 0.000 2.607 1698 I HA 0.381 4.512 4.170 -0.064 0.000 0.290 1698 I C -1.173 174.931 176.117 -0.021 0.000 1.129 1698 I CA -0.838 60.459 61.300 -0.006 0.000 1.042 1698 I CB 2.514 40.522 38.000 0.013 0.000 1.242 1698 I HN -0.234 nan 8.210 nan 0.000 0.421 1699 A N 6.788 129.609 122.820 0.002 0.000 2.343 1699 A HA 0.936 5.217 4.320 -0.064 0.000 0.316 1699 A C -1.051 176.516 177.584 -0.028 0.000 1.104 1699 A CA -0.424 51.590 52.037 -0.038 0.000 0.768 1699 A CB 1.262 20.263 19.000 0.001 0.000 1.213 1699 A HN 0.603 nan 8.150 nan 0.000 0.456 1700 L N -0.307 120.819 121.223 -0.163 0.000 2.359 1700 L HA 0.841 5.143 4.340 -0.064 0.000 0.256 1700 L C -0.666 175.978 176.870 -0.376 0.000 1.026 1700 L CA -0.544 54.244 54.840 -0.086 0.000 0.828 1700 L CB 1.699 43.775 42.059 0.028 0.000 1.406 1700 L HN 0.651 nan 8.230 nan 0.000 0.413 1701 H N -0.581 118.562 119.070 0.121 0.000 2.974 1701 H HA 0.335 4.850 4.556 -0.068 0.000 0.366 1701 H C -1.174 174.231 175.328 0.128 0.000 1.155 1701 H CA -0.748 55.376 56.048 0.126 0.000 1.186 1701 H CB 2.333 32.179 29.762 0.139 0.000 1.799 1701 H HN 0.806 nan 8.280 nan 0.000 0.541 1702 S N 1.677 117.501 115.700 0.207 0.000 2.443 1702 S HA 0.078 4.509 4.470 -0.064 0.000 0.284 1702 S C 1.255 175.963 174.600 0.179 0.000 1.206 1702 S CA -0.538 57.748 58.200 0.143 0.000 1.074 1702 S CB -0.108 63.116 63.200 0.041 0.000 0.963 1702 S HN 0.414 nan 8.310 nan 0.000 0.501 1703 V N 5.475 125.501 119.914 0.187 0.000 2.809 1703 V HA -0.093 3.988 4.120 -0.064 0.000 0.256 1703 V C 2.298 178.435 176.094 0.071 0.000 1.080 1703 V CA 1.778 64.177 62.300 0.165 0.000 1.102 1703 V CB -0.845 31.099 31.823 0.200 0.000 0.705 1703 V HN 0.913 nan 8.190 nan 0.000 0.475 1704 S N -0.203 115.522 115.700 0.042 0.000 2.440 1704 S HA -0.177 4.255 4.470 -0.064 0.000 0.240 1704 S C 1.545 176.122 174.600 -0.038 0.000 1.014 1704 S CA 1.158 59.356 58.200 -0.003 0.000 0.980 1704 S CB -0.153 63.038 63.200 -0.015 0.000 0.775 1704 S HN 0.517 nan 8.310 nan 0.000 0.499 1705 K N 0.908 121.285 120.400 -0.038 0.000 3.730 1705 K HA 0.300 4.581 4.320 -0.064 0.000 0.166 1705 K C 1.572 178.074 176.600 -0.163 0.000 1.148 1705 K CA 0.277 56.467 56.287 -0.162 0.000 1.638 1705 K CB -1.239 31.159 32.500 -0.170 0.000 2.264 1705 K HN 0.231 nan 8.250 nan 0.000 0.518 1706 Y N 1.177 121.460 120.300 -0.029 0.000 2.181 1706 Y HA -0.086 4.447 4.550 -0.028 0.000 0.288 1706 Y C 2.378 178.280 175.900 0.003 0.000 1.146 1706 Y CA 1.043 59.117 58.100 -0.045 0.000 1.164 1706 Y CB -0.448 37.969 38.460 -0.071 0.000 0.982 1706 Y HN 0.136 nan 8.280 nan 0.000 0.515 1707 I N -0.110 120.556 120.570 0.162 0.000 2.142 1707 I HA -0.332 3.799 4.170 -0.064 0.000 0.240 1707 I C 2.277 178.471 176.117 0.130 0.000 1.078 1707 I CA 1.887 63.259 61.300 0.120 0.000 1.343 1707 I CB -0.387 37.681 38.000 0.113 0.000 1.046 1707 I HN 0.251 nan 8.210 nan 0.000 0.405 1708 N N 0.615 119.373 118.700 0.097 0.000 2.135 1708 N HA -0.108 4.593 4.740 -0.064 0.000 0.186 1708 N C 1.502 177.121 175.510 0.182 0.000 1.027 1708 N CA 1.905 55.003 53.050 0.080 0.000 0.849 1708 N CB -0.102 38.391 38.487 0.011 0.000 1.002 1708 N HN 0.372 nan 8.380 nan 0.000 0.425 1709 G N -1.424 107.438 108.800 0.103 0.000 2.189 1709 G HA2 -0.313 3.608 3.960 -0.064 0.000 0.267 1709 G HA3 -0.313 3.608 3.960 -0.064 0.000 0.267 1709 G C 0.401 175.251 174.900 -0.083 0.000 0.975 1709 G CA 1.057 46.184 45.100 0.045 0.000 0.644 1709 G HN 0.625 nan 8.290 nan 0.000 0.537 1710 H N -0.489 118.581 119.070 -0.001 0.000 2.592 1710 H HA 0.447 4.966 4.556 -0.062 0.000 0.279 1710 H C 1.905 177.226 175.328 -0.012 0.000 1.089 1710 H CA 0.564 56.611 56.048 -0.001 0.000 1.150 1710 H CB 0.490 30.248 29.762 -0.006 0.000 1.575 1710 H HN 1.106 nan 8.280 nan 0.000 0.547 1711 G N 1.856 110.682 108.800 0.044 0.000 2.258 1711 G HA2 -0.337 3.585 3.960 -0.064 0.000 0.274 1711 G HA3 -0.337 3.585 3.960 -0.064 0.000 0.274 1711 G C 0.358 175.272 174.900 0.024 0.000 1.021 1711 G CA 0.969 46.075 45.100 0.009 0.000 0.798 1711 G HN 0.620 nan 8.290 nan 0.000 0.507 1712 D N -1.639 118.784 120.400 0.039 0.000 2.540 1712 D HA 0.378 4.979 4.640 -0.064 0.000 0.229 1712 D C 0.341 176.648 176.300 0.013 0.000 1.250 1712 D CA -0.019 53.998 54.000 0.028 0.000 0.817 1712 D CB 0.504 41.328 40.800 0.041 0.000 1.060 1712 D HN 0.424 nan 8.370 nan 0.000 0.508 1713 V N 0.690 120.606 119.914 0.003 0.000 2.888 1713 V HA 0.420 4.502 4.120 -0.064 0.000 0.309 1713 V C -0.589 175.500 176.094 -0.009 0.000 1.114 1713 V CA -0.853 61.440 62.300 -0.011 0.000 0.940 1713 V CB 2.699 34.497 31.823 -0.040 0.000 1.021 1713 V HN 0.035 nan 8.190 nan 0.000 0.426 1714 I N 2.882 123.451 120.570 -0.002 0.000 2.354 1714 I HA 0.817 4.949 4.170 -0.064 0.000 0.292 1714 I C 0.524 176.653 176.117 0.021 0.000 0.989 1714 I CA 0.001 61.307 61.300 0.010 0.000 1.188 1714 I CB 1.801 39.812 38.000 0.018 0.000 1.342 1714 I HN 0.816 nan 8.210 nan 0.000 0.457 1715 G N 3.432 112.256 108.800 0.040 0.000 2.646 1715 G HA2 0.673 4.595 3.960 -0.064 0.000 0.291 1715 G HA3 0.673 4.595 3.960 -0.064 0.000 0.291 1715 G C -1.411 173.578 174.900 0.148 0.000 1.445 1715 G CA -0.603 44.543 45.100 0.077 0.000 0.814 1715 G HN 0.769 nan 8.290 nan 0.000 0.495 1716 G N -1.756 107.195 108.800 0.252 0.000 2.569 1716 G HA2 0.813 4.735 3.960 -0.064 0.000 0.300 1716 G HA3 0.813 4.735 3.960 -0.064 0.000 0.300 1716 G C -1.638 173.550 174.900 0.479 0.000 1.269 1716 G CA -0.719 44.574 45.100 0.322 0.000 0.959 1716 G HN 1.503 nan 8.290 nan 0.000 0.478 1717 V N -0.353 119.838 119.914 0.461 0.000 2.932 1717 V HA 0.812 4.893 4.120 -0.064 0.000 0.307 1717 V C -0.882 175.456 176.094 0.407 0.000 1.147 1717 V CA -0.546 62.037 62.300 0.472 0.000 0.951 1717 V CB 2.231 34.263 31.823 0.350 0.000 1.031 1717 V HN 1.028 nan 8.190 nan 0.000 0.426 1718 S N 3.701 119.667 115.700 0.442 0.000 2.536 1718 S HA 0.832 5.264 4.470 -0.064 0.000 0.287 1718 S C -0.864 173.874 174.600 0.230 0.000 1.101 1718 S CA -0.360 58.028 58.200 0.313 0.000 0.950 1718 S CB 1.874 65.279 63.200 0.342 0.000 1.056 1718 S HN 0.898 nan 8.310 nan 0.000 0.481 1719 S N 2.437 118.232 115.700 0.159 0.000 2.532 1719 S HA 0.802 5.233 4.470 -0.064 0.000 0.299 1719 S C -0.605 174.050 174.600 0.092 0.000 1.105 1719 S CA -0.630 57.634 58.200 0.106 0.000 1.018 1719 S CB 1.592 64.837 63.200 0.076 0.000 1.021 1719 S HN 0.985 nan 8.310 nan 0.000 0.483 1720 A N 1.989 124.861 122.820 0.087 0.000 2.324 1720 A HA 0.602 4.884 4.320 -0.064 0.000 0.330 1720 A C 0.948 178.557 177.584 0.043 0.000 1.165 1720 A CA -0.742 51.339 52.037 0.074 0.000 0.813 1720 A CB 0.888 19.957 19.000 0.115 0.000 1.197 1720 A HN 0.875 nan 8.150 nan 0.000 0.484 1721 K N 0.804 121.218 120.400 0.024 0.000 2.097 1721 K HA -0.075 4.206 4.320 -0.064 0.000 0.206 1721 K C 0.825 177.437 176.600 0.019 0.000 1.049 1721 K CA 1.939 58.233 56.287 0.013 0.000 0.933 1721 K CB -0.113 32.387 32.500 0.000 0.000 0.717 1721 K HN 0.833 nan 8.250 nan 0.000 0.442 1722 T N -3.429 111.142 114.554 0.029 0.000 2.888 1722 T HA 0.589 4.901 4.350 -0.064 0.000 0.284 1722 T C 0.983 175.712 174.700 0.050 0.000 1.017 1722 T CA -0.499 61.621 62.100 0.034 0.000 1.022 1722 T CB 1.848 70.737 68.868 0.034 0.000 1.013 1722 T HN 0.086 nan 8.240 nan 0.000 0.465 1723 A N 1.897 124.741 122.820 0.041 0.000 1.940 1723 A HA -0.126 4.156 4.320 -0.064 0.000 0.219 1723 A C 2.246 179.868 177.584 0.064 0.000 1.176 1723 A CA 1.598 53.661 52.037 0.044 0.000 0.631 1723 A CB -0.736 18.281 19.000 0.029 0.000 0.814 1723 A HN 0.955 nan 8.150 nan 0.000 0.446 1724 E N 0.341 120.581 120.200 0.066 0.000 2.106 1724 E HA -0.210 4.102 4.350 -0.064 0.000 0.192 1724 E C 1.026 177.710 176.600 0.140 0.000 0.984 1724 E CA 1.407 57.857 56.400 0.082 0.000 0.806 1724 E CB -0.650 29.090 29.700 0.067 0.000 0.750 1724 E HN 0.551 nan 8.360 nan 0.000 0.458 1725 D N 0.836 121.337 120.400 0.167 0.000 2.123 1725 D HA -0.058 4.543 4.640 -0.064 0.000 0.200 1725 D C 1.940 178.417 176.300 0.295 0.000 0.976 1725 D CA 0.391 54.569 54.000 0.297 0.000 0.831 1725 D CB -0.229 40.682 40.800 0.185 0.000 0.974 1725 D HN 0.122 nan 8.370 nan 0.000 0.469 1726 I N 0.764 121.445 120.570 0.186 0.000 2.315 1726 I HA -0.144 3.988 4.170 -0.064 0.000 0.248 1726 I C 1.989 178.195 176.117 0.148 0.000 1.117 1726 I CA 0.814 62.212 61.300 0.165 0.000 1.404 1726 I CB -0.328 37.738 38.000 0.109 0.000 1.071 1726 I HN -0.070 nan 8.210 nan 0.000 0.419 1727 A N -0.923 121.974 122.820 0.128 0.000 1.933 1727 A HA -0.206 4.076 4.320 -0.064 0.000 0.218 1727 A C 2.344 180.026 177.584 0.164 0.000 1.175 1727 A CA 2.407 54.520 52.037 0.126 0.000 0.628 1727 A CB -1.294 17.763 19.000 0.096 0.000 0.814 1727 A HN 0.452 nan 8.150 nan 0.000 0.444 1728 T N 0.175 114.809 114.554 0.133 0.000 2.777 1728 T HA -0.045 4.267 4.350 -0.064 0.000 0.266 1728 T C 1.796 176.538 174.700 0.070 0.000 1.040 1728 T CA 1.361 63.496 62.100 0.058 0.000 1.141 1728 T CB -0.378 68.464 68.868 -0.043 0.000 0.868 1728 T HN 0.420 nan 8.240 nan 0.000 0.444 1729 I N 0.877 121.509 120.570 0.103 0.000 2.163 1729 I HA -0.228 3.903 4.170 -0.064 0.000 0.243 1729 I C 2.526 178.809 176.117 0.275 0.000 1.085 1729 I CA 1.484 62.893 61.300 0.182 0.000 1.347 1729 I CB -0.274 37.896 38.000 0.283 0.000 1.044 1729 I HN 0.199 nan 8.210 nan 0.000 0.408 1730 K N -0.124 120.401 120.400 0.209 0.000 2.148 1730 K HA -0.167 4.114 4.320 -0.064 0.000 0.204 1730 K C 2.113 178.800 176.600 0.145 0.000 1.050 1730 K CA 1.314 57.686 56.287 0.142 0.000 0.942 1730 K CB -0.230 32.316 32.500 0.078 0.000 0.724 1730 K HN 0.171 nan 8.250 nan 0.000 0.446 1731 F N 0.585 120.576 119.950 0.069 0.000 2.102 1731 F HA -0.268 4.220 4.527 -0.065 0.000 0.298 1731 F C 2.316 178.155 175.800 0.066 0.000 1.105 1731 F CA 1.382 59.413 58.000 0.051 0.000 1.239 1731 F CB -0.262 38.757 39.000 0.033 0.000 0.991 1731 F HN 0.010 nan 8.300 nan 0.000 0.474 1732 Y N 0.880 121.304 120.300 0.207 0.000 2.145 1732 Y HA -0.258 4.254 4.550 -0.064 0.000 0.286 1732 Y C 2.791 178.735 175.900 0.073 0.000 1.145 1732 Y CA 2.176 60.342 58.100 0.109 0.000 1.148 1732 Y CB -0.531 37.957 38.460 0.046 0.000 0.981 1732 Y HN -0.017 nan 8.280 nan 0.000 0.507 1733 R N 0.955 121.617 120.500 0.269 0.000 2.081 1733 R HA -0.217 4.085 4.340 -0.064 0.000 0.235 1733 R C 2.454 178.756 176.300 0.003 0.000 1.131 1733 R CA 1.907 58.136 56.100 0.215 0.000 0.960 1733 R CB -0.371 30.065 30.300 0.226 0.000 0.856 1733 R HN 0.379 nan 8.270 nan 0.000 0.436 1734 K N -0.074 120.282 120.400 -0.072 0.000 2.103 1734 K HA -0.179 4.102 4.320 -0.064 0.000 0.207 1734 K C 0.696 177.201 176.600 -0.157 0.000 1.048 1734 K CA 2.138 58.344 56.287 -0.134 0.000 0.930 1734 K CB 0.046 32.391 32.500 -0.257 0.000 0.716 1734 K HN 0.197 nan 8.250 nan 0.000 0.444 1735 D N -0.432 119.833 120.400 -0.226 0.000 2.324 1735 D HA 0.063 4.664 4.640 -0.064 0.000 0.212 1735 D C 1.643 177.791 176.300 -0.253 0.000 0.984 1735 D CA 0.952 54.814 54.000 -0.230 0.000 0.885 1735 D CB 0.180 40.833 40.800 -0.245 0.000 0.996 1735 D HN 0.326 nan 8.370 nan 0.000 0.505 1736 A N 0.154 122.759 122.820 -0.358 0.000 1.930 1736 A HA 0.353 4.635 4.320 -0.064 0.000 0.215 1736 A C 1.837 179.365 177.584 -0.093 0.000 1.176 1736 A CA 1.570 53.423 52.037 -0.307 0.000 0.632 1736 A CB -0.370 18.346 19.000 -0.473 0.000 0.819 1736 A HN 0.270 nan 8.150 nan 0.000 0.445 1737 G N -0.958 107.825 108.800 -0.028 0.000 2.132 1737 G HA2 -0.182 3.740 3.960 -0.064 0.000 0.228 1737 G HA3 -0.182 3.740 3.960 -0.064 0.000 0.228 1737 G C 0.343 175.286 174.900 0.071 0.000 1.000 1737 G CA 0.604 45.714 45.100 0.018 0.000 0.693 1737 G HN 1.205 nan 8.290 nan 0.000 0.515 1738 S N 0.461 116.255 115.700 0.157 0.000 2.473 1738 S HA 0.671 5.103 4.470 -0.064 0.000 0.312 1738 S C 0.561 175.294 174.600 0.222 0.000 1.087 1738 S CA -0.599 57.731 58.200 0.217 0.000 1.077 1738 S CB -0.150 63.228 63.200 0.297 0.000 1.065 1738 S HN 0.469 nan 8.310 nan 0.000 0.510 1739 L N 4.581 125.867 121.223 0.106 0.000 2.331 1739 L HA 0.563 4.864 4.340 -0.064 0.000 0.275 1739 L C 0.349 177.247 176.870 0.047 0.000 1.022 1739 L CA -0.747 54.114 54.840 0.036 0.000 0.812 1739 L CB 1.707 43.767 42.059 0.002 0.000 1.257 1739 L HN 0.535 nan 8.230 nan 0.000 0.435 1740 M N 2.566 122.178 119.600 0.020 0.000 2.188 1740 M HA 0.407 4.848 4.480 -0.064 0.000 0.354 1740 M C 0.148 176.451 176.300 0.006 0.000 1.342 1740 M CA -0.185 55.127 55.300 0.020 0.000 1.117 1740 M CB 1.027 33.636 32.600 0.015 0.000 1.670 1740 M HN 0.761 nan 8.290 nan 0.000 0.466 1741 A N 7.053 129.876 122.820 0.006 0.000 2.407 1741 A HA 0.385 4.667 4.320 -0.064 0.000 0.248 1741 A C -2.001 175.594 177.584 0.019 0.000 1.082 1741 A CA -1.329 50.711 52.037 0.005 0.000 0.785 1741 A CB -0.383 18.618 19.000 0.002 0.000 1.020 1741 A HN 0.754 nan 8.150 nan 0.000 0.489 1742 P HA -0.190 nan 4.420 nan 0.000 0.216 1742 P C 1.541 178.897 177.300 0.094 0.000 1.150 1742 P CA 1.624 64.771 63.100 0.079 0.000 0.837 1742 P CB -0.063 31.688 31.700 0.085 0.000 0.786 1743 M N -0.105 119.526 119.600 0.051 0.000 2.175 1743 M HA -0.121 4.320 4.480 -0.064 0.000 0.264 1743 M C 1.160 177.528 176.300 0.113 0.000 1.063 1743 M CA 1.880 57.221 55.300 0.068 0.000 1.119 1743 M CB -1.192 31.412 32.600 0.007 0.000 1.377 1743 M HN -0.271 nan 8.290 nan 0.000 0.415 1744 D N 0.245 120.668 120.400 0.039 0.000 2.144 1744 D HA -0.027 4.574 4.640 -0.064 0.000 0.200 1744 D C 2.023 178.265 176.300 -0.095 0.000 0.978 1744 D CA 1.678 55.667 54.000 -0.017 0.000 0.833 1744 D CB -0.411 40.366 40.800 -0.038 0.000 0.961 1744 D HN 0.504 nan 8.370 nan 0.000 0.470 1745 A N 0.400 123.177 122.820 -0.072 0.000 1.902 1745 A HA -0.164 4.118 4.320 -0.064 0.000 0.217 1745 A C 2.107 179.661 177.584 -0.050 0.000 1.181 1745 A CA 1.056 53.008 52.037 -0.141 0.000 0.623 1745 A CB -1.030 17.977 19.000 0.012 0.000 0.818 1745 A HN 0.292 nan 8.150 nan 0.000 0.443 1746 F N 0.705 120.629 119.950 -0.043 0.000 2.095 1746 F HA -0.186 4.305 4.527 -0.061 0.000 0.298 1746 F C 1.836 177.602 175.800 -0.058 0.000 1.104 1746 F CA 1.976 59.971 58.000 -0.008 0.000 1.232 1746 F CB -0.308 38.701 39.000 0.014 0.000 0.987 1746 F HN 0.143 nan 8.300 nan 0.000 0.475 1747 L N -0.688 120.484 121.223 -0.084 0.000 2.093 1747 L HA -0.254 4.048 4.340 -0.064 0.000 0.208 1747 L C 2.597 179.303 176.870 -0.273 0.000 1.085 1747 L CA 1.129 55.844 54.840 -0.208 0.000 0.755 1747 L CB -0.935 41.103 42.059 -0.036 0.000 0.904 1747 L HN 0.334 nan 8.230 nan 0.000 0.435 1748 C N -0.484 118.625 119.300 -0.319 0.000 2.476 1748 C HA -0.058 4.364 4.460 -0.064 0.000 0.278 1748 C C 3.142 177.997 174.990 -0.226 0.000 1.274 1748 C CA 0.597 59.369 59.018 -0.409 0.000 1.713 1748 C CB -0.933 26.214 27.740 -0.987 0.000 2.039 1748 C HN 0.607 nan 8.230 nan 0.000 0.484 1749 A N 0.584 123.304 122.820 -0.166 0.000 1.902 1749 A HA -0.233 4.049 4.320 -0.064 0.000 0.217 1749 A C 2.300 179.815 177.584 -0.115 0.000 1.181 1749 A CA 1.860 53.917 52.037 0.033 0.000 0.623 1749 A CB -0.658 18.356 19.000 0.023 0.000 0.818 1749 A HN 0.658 nan 8.150 nan 0.000 0.443 1750 R N -0.597 119.725 120.500 -0.297 0.000 2.066 1750 R HA -0.102 4.200 4.340 -0.064 0.000 0.232 1750 R C 2.302 178.472 176.300 -0.217 0.000 1.131 1750 R CA 1.601 57.501 56.100 -0.334 0.000 0.955 1750 R CB -0.760 29.205 30.300 -0.559 0.000 0.851 1750 R HN 0.447 nan 8.270 nan 0.000 0.432 1751 G N 0.999 109.678 108.800 -0.200 0.000 2.440 1751 G HA2 -0.316 3.605 3.960 -0.064 0.000 0.218 1751 G HA3 -0.316 3.605 3.960 -0.064 0.000 0.218 1751 G C 1.438 176.367 174.900 0.048 0.000 1.154 1751 G CA 0.824 45.880 45.100 -0.074 0.000 0.767 1751 G HN 0.362 nan 8.290 nan 0.000 0.552 1752 M N 0.253 119.876 119.600 0.038 0.000 2.460 1752 M HA 0.043 4.484 4.480 -0.064 0.000 0.263 1752 M C 2.049 178.362 176.300 0.021 0.000 1.071 1752 M CA 0.936 56.274 55.300 0.063 0.000 1.096 1752 M CB 0.043 32.716 32.600 0.122 0.000 1.408 1752 M HN 0.007 nan 8.290 nan 0.000 0.463 1753 K N -0.357 120.038 120.400 -0.008 0.000 2.209 1753 K HA -0.073 4.209 4.320 -0.064 0.000 0.204 1753 K C 1.602 178.205 176.600 0.005 0.000 1.048 1753 K CA 1.833 58.107 56.287 -0.022 0.000 0.940 1753 K CB -0.795 31.674 32.500 -0.051 0.000 0.729 1753 K HN 0.515 nan 8.250 nan 0.000 0.451 1754 T N -1.416 113.161 114.554 0.038 0.000 3.145 1754 T HA 0.131 4.443 4.350 -0.064 0.000 0.255 1754 T C 1.559 176.292 174.700 0.054 0.000 1.039 1754 T CA -0.315 61.818 62.100 0.054 0.000 0.928 1754 T CB 0.025 68.947 68.868 0.091 0.000 1.029 1754 T HN -0.074 nan 8.240 nan 0.000 0.554 1755 L N 2.339 123.587 121.223 0.042 0.000 1.989 1755 L HA 0.137 4.438 4.340 -0.064 0.000 0.211 1755 L C -0.940 175.918 176.870 -0.020 0.000 1.071 1755 L CA 1.983 56.840 54.840 0.027 0.000 0.749 1755 L CB -1.077 40.984 42.059 0.003 0.000 0.890 1755 L HN 0.099 nan 8.230 nan 0.000 0.431 1756 P HA -0.126 nan 4.420 nan 0.000 0.217 1756 P C 2.057 179.344 177.300 -0.023 0.000 1.150 1756 P CA 1.621 64.675 63.100 -0.077 0.000 0.832 1756 P CB -0.008 31.660 31.700 -0.054 0.000 0.787 1757 I N -1.049 119.524 120.570 0.006 0.000 2.252 1757 I HA -0.201 3.931 4.170 -0.064 0.000 0.245 1757 I C 2.544 178.675 176.117 0.024 0.000 1.102 1757 I CA 1.367 62.680 61.300 0.021 0.000 1.385 1757 I CB -0.248 37.765 38.000 0.020 0.000 1.064 1757 I HN -0.176 nan 8.210 nan 0.000 0.414 1758 R N -0.328 120.190 120.500 0.030 0.000 2.075 1758 R HA -0.126 4.175 4.340 -0.064 0.000 0.232 1758 R C 2.270 178.636 176.300 0.110 0.000 1.126 1758 R CA 1.239 57.350 56.100 0.018 0.000 0.963 1758 R CB -0.255 30.092 30.300 0.078 0.000 0.858 1758 R HN 0.229 nan 8.270 nan 0.000 0.435 1759 M N 0.705 120.393 119.600 0.147 0.000 2.117 1759 M HA -0.196 4.246 4.480 -0.064 0.000 0.262 1759 M C 2.202 178.697 176.300 0.324 0.000 1.065 1759 M CA 1.567 56.981 55.300 0.191 0.000 1.114 1759 M CB -1.034 31.449 32.600 -0.196 0.000 1.361 1759 M HN 0.219 nan 8.290 nan 0.000 0.408 1760 Q N 0.208 120.149 119.800 0.235 0.000 2.077 1760 Q HA -0.192 4.110 4.340 -0.064 0.000 0.206 1760 Q C 2.061 178.157 176.000 0.159 0.000 0.989 1760 Q CA 1.686 57.628 55.803 0.232 0.000 0.853 1760 Q CB -0.109 28.712 28.738 0.139 0.000 0.907 1760 Q HN 0.516 nan 8.270 nan 0.000 0.418 1761 I N -0.414 120.209 120.570 0.089 0.000 2.193 1761 I HA -0.280 3.851 4.170 -0.064 0.000 0.240 1761 I C 2.291 178.451 176.117 0.072 0.000 1.084 1761 I CA 0.851 62.169 61.300 0.030 0.000 1.365 1761 I CB -0.572 37.392 38.000 -0.059 0.000 1.064 1761 I HN 0.285 nan 8.210 nan 0.000 0.410 1762 H N 0.431 119.581 119.070 0.132 0.000 2.292 1762 H HA -0.299 4.207 4.556 -0.084 0.000 0.292 1762 H C 2.231 177.661 175.328 0.170 0.000 1.100 1762 H CA 2.388 58.536 56.048 0.168 0.000 1.238 1762 H CB -0.549 29.332 29.762 0.198 0.000 1.355 1762 H HN 0.386 nan 8.280 nan 0.000 0.484 1763 M N 0.714 120.497 119.600 0.304 0.000 2.065 1763 M HA -0.189 4.253 4.480 -0.064 0.000 0.259 1763 M C 2.093 178.481 176.300 0.146 0.000 1.069 1763 M CA 1.930 57.351 55.300 0.202 0.000 1.110 1763 M CB 0.001 32.643 32.600 0.070 0.000 1.328 1763 M HN 0.162 nan 8.290 nan 0.000 0.405 1764 E N 0.372 120.638 120.200 0.111 0.000 2.051 1764 E HA -0.176 4.136 4.350 -0.064 0.000 0.192 1764 E C 1.737 178.372 176.600 0.058 0.000 0.991 1764 E CA 1.866 58.303 56.400 0.062 0.000 0.799 1764 E CB -0.295 29.433 29.700 0.047 0.000 0.748 1764 E HN 0.671 nan 8.360 nan 0.000 0.449 1765 N N -0.047 118.704 118.700 0.085 0.000 2.061 1765 N HA -0.173 4.528 4.740 -0.064 0.000 0.193 1765 N C 2.039 177.632 175.510 0.138 0.000 1.030 1765 N CA 0.866 53.972 53.050 0.094 0.000 0.856 1765 N CB -0.269 38.280 38.487 0.105 0.000 1.023 1765 N HN 0.166 nan 8.380 nan 0.000 0.424 1766 G N 1.464 110.393 108.800 0.215 0.000 2.440 1766 G HA2 -0.204 3.718 3.960 -0.064 0.000 0.218 1766 G HA3 -0.204 3.718 3.960 -0.064 0.000 0.218 1766 G C 1.558 176.459 174.900 0.003 0.000 1.154 1766 G CA 0.463 45.748 45.100 0.309 0.000 0.767 1766 G HN 0.143 nan 8.290 nan 0.000 0.552 1767 L N -0.160 120.991 121.223 -0.119 0.000 2.017 1767 L HA -0.045 4.256 4.340 -0.064 0.000 0.208 1767 L C 3.004 179.732 176.870 -0.237 0.000 1.073 1767 L CA 1.383 55.997 54.840 -0.377 0.000 0.745 1767 L CB -0.246 41.663 42.059 -0.251 0.000 0.894 1767 L HN 0.174 nan 8.230 nan 0.000 0.432 1768 K N -0.663 119.685 120.400 -0.087 0.000 2.097 1768 K HA -0.120 4.161 4.320 -0.064 0.000 0.205 1768 K C 2.005 178.617 176.600 0.019 0.000 1.050 1768 K CA 1.091 57.357 56.287 -0.036 0.000 0.938 1768 K CB -0.192 32.301 32.500 -0.012 0.000 0.718 1768 K HN 0.090 nan 8.250 nan 0.000 0.442 1769 V N 1.439 121.393 119.914 0.067 0.000 2.307 1769 V HA -0.247 3.834 4.120 -0.064 0.000 0.245 1769 V C 2.359 178.570 176.094 0.195 0.000 1.045 1769 V CA 2.036 64.445 62.300 0.182 0.000 1.024 1769 V CB -0.679 31.305 31.823 0.268 0.000 0.651 1769 V HN 0.355 nan 8.190 nan 0.000 0.449 1770 A N -0.328 122.492 122.820 -0.000 0.000 1.908 1770 A HA -0.253 4.029 4.320 -0.064 0.000 0.218 1770 A C 2.307 179.806 177.584 -0.141 0.000 1.181 1770 A CA 2.026 53.926 52.037 -0.227 0.000 0.627 1770 A CB -0.420 18.057 19.000 -0.872 0.000 0.818 1770 A HN 0.548 nan 8.150 nan 0.000 0.445 1771 K N -1.621 118.700 120.400 -0.133 0.000 2.062 1771 K HA -0.069 4.212 4.320 -0.064 0.000 0.205 1771 K C 1.836 178.438 176.600 0.004 0.000 1.051 1771 K CA 1.387 57.623 56.287 -0.084 0.000 0.941 1771 K CB -0.353 32.096 32.500 -0.086 0.000 0.719 1771 K HN 0.562 nan 8.250 nan 0.000 0.440 1772 F N 2.148 122.059 119.950 -0.066 0.000 2.095 1772 F HA -0.230 4.255 4.527 -0.070 0.000 0.298 1772 F C 1.833 177.618 175.800 -0.024 0.000 1.104 1772 F CA 1.375 59.356 58.000 -0.032 0.000 1.232 1772 F CB -0.186 38.797 39.000 -0.029 0.000 0.987 1772 F HN -0.115 nan 8.300 nan 0.000 0.475 1773 L N 0.171 121.261 121.223 -0.222 0.000 2.131 1773 L HA -0.209 4.092 4.340 -0.064 0.000 0.210 1773 L C 2.483 179.217 176.870 -0.226 0.000 1.092 1773 L CA 1.776 56.396 54.840 -0.367 0.000 0.759 1773 L CB -0.807 41.046 42.059 -0.343 0.000 0.903 1773 L HN 0.285 nan 8.230 nan 0.000 0.435 1774 E N 0.420 120.540 120.200 -0.133 0.000 2.150 1774 E HA -0.246 4.065 4.350 -0.064 0.000 0.193 1774 E C 1.815 178.365 176.600 -0.082 0.000 0.985 1774 E CA 1.124 57.478 56.400 -0.077 0.000 0.814 1774 E CB 0.218 29.880 29.700 -0.064 0.000 0.752 1774 E HN 0.572 nan 8.360 nan 0.000 0.466 1775 Q N -0.655 119.075 119.800 -0.116 0.000 2.320 1775 Q HA 0.049 4.351 4.340 -0.064 0.000 0.201 1775 Q C 0.127 176.035 176.000 -0.152 0.000 0.910 1775 Q CA 0.271 56.008 55.803 -0.108 0.000 0.946 1775 Q CB 0.010 28.700 28.738 -0.079 0.000 1.062 1775 Q HN 0.126 nan 8.270 nan 0.000 0.503 1776 H N 2.338 121.224 119.070 -0.307 0.000 2.620 1776 H HA 0.026 4.543 4.556 -0.065 0.000 0.313 1776 H C 0.793 176.018 175.328 -0.172 0.000 1.075 1776 H CA 0.390 56.246 56.048 -0.320 0.000 1.397 1776 H CB 1.076 30.516 29.762 -0.536 0.000 1.446 1776 H HN 0.578 nan 8.280 nan 0.000 0.493 1777 E N 3.922 123.904 120.200 -0.362 0.000 2.187 1777 E HA -0.286 4.026 4.350 -0.064 0.000 0.199 1777 E C 0.994 177.610 176.600 0.026 0.000 1.004 1777 E CA 1.510 57.816 56.400 -0.158 0.000 0.813 1777 E CB 0.036 29.610 29.700 -0.210 0.000 0.736 1777 E HN 0.426 nan 8.360 nan 0.000 0.468 1778 K N -0.121 120.433 120.400 0.258 0.000 2.366 1778 K HA 0.097 4.379 4.320 -0.064 0.000 0.198 1778 K C 0.046 176.738 176.600 0.153 0.000 1.044 1778 K CA 0.162 56.585 56.287 0.227 0.000 0.973 1778 K CB 0.208 32.869 32.500 0.268 0.000 0.767 1778 K HN 0.065 nan 8.250 nan 0.000 0.475 1779 I N 0.294 120.947 120.570 0.138 0.000 2.331 1779 I HA 0.001 4.132 4.170 -0.064 0.000 0.292 1779 I C 0.907 177.083 176.117 0.098 0.000 0.998 1779 I CA -0.096 61.270 61.300 0.111 0.000 1.267 1779 I CB 1.868 39.891 38.000 0.038 0.000 1.386 1779 I HN -0.197 nan 8.210 nan 0.000 0.476 1780 V N 5.042 125.029 119.914 0.122 0.000 2.379 1780 V HA 0.003 4.085 4.120 -0.064 0.000 0.245 1780 V C 0.852 177.005 176.094 0.099 0.000 1.044 1780 V CA 1.264 63.622 62.300 0.097 0.000 1.036 1780 V CB -0.503 31.378 31.823 0.097 0.000 0.664 1780 V HN 0.768 nan 8.190 nan 0.000 0.453 1781 K N -0.427 120.058 120.400 0.141 0.000 2.598 1781 K HA 0.363 4.644 4.320 -0.064 0.000 0.271 1781 K C -2.321 174.416 176.600 0.228 0.000 0.947 1781 K CA -0.335 56.042 56.287 0.151 0.000 0.854 1781 K CB 2.457 35.038 32.500 0.134 0.000 1.401 1781 K HN -0.081 nan 8.250 nan 0.000 0.415 1782 V N 3.015 123.058 119.914 0.215 0.000 2.483 1782 V HA 0.385 4.467 4.120 -0.064 0.000 0.297 1782 V C -0.120 176.130 176.094 0.259 0.000 1.027 1782 V CA -0.878 61.590 62.300 0.280 0.000 0.855 1782 V CB 1.535 33.467 31.823 0.180 0.000 0.995 1782 V HN 0.701 nan 8.190 nan 0.000 0.424 1783 N N 3.856 122.735 118.700 0.298 0.000 2.719 1783 N HA 0.228 4.929 4.740 -0.064 0.000 0.243 1783 N C -0.929 174.477 175.510 -0.174 0.000 1.104 1783 N CA -0.255 52.892 53.050 0.161 0.000 0.981 1783 N CB 0.193 38.851 38.487 0.283 0.000 1.290 1783 N HN 0.665 nan 8.380 nan 0.000 0.513 1784 H N 3.067 121.818 119.070 -0.532 0.000 2.658 1784 H HA 0.228 4.710 4.556 -0.122 0.000 0.337 1784 H C -2.068 172.798 175.328 -0.771 0.000 1.009 1784 H CA -2.094 53.569 56.048 -0.641 0.000 1.231 1784 H CB 2.166 31.467 29.762 -0.768 0.000 1.508 1784 H HN 0.285 nan 8.280 nan 0.000 0.517 1785 P HA -0.061 nan 4.420 nan 0.000 0.221 1785 P C 1.122 178.396 177.300 -0.043 0.000 1.145 1785 P CA 1.192 64.130 63.100 -0.271 0.000 0.795 1785 P CB 0.089 31.756 31.700 -0.055 0.000 0.775 1786 G N -0.823 107.785 108.800 -0.320 0.000 3.042 1786 G HA2 0.150 4.071 3.960 -0.064 0.000 0.212 1786 G HA3 0.150 4.071 3.960 -0.064 0.000 0.212 1786 G C 0.528 175.173 174.900 -0.426 0.000 1.166 1786 G CA -0.169 44.454 45.100 -0.794 0.000 0.767 1786 G HN 0.201 nan 8.290 nan 0.000 0.546 1787 L N 0.630 121.648 121.223 -0.343 0.000 2.350 1787 L HA 0.266 4.567 4.340 -0.064 0.000 0.275 1787 L C 1.294 177.835 176.870 -0.547 0.000 1.099 1787 L CA -0.687 53.921 54.840 -0.386 0.000 0.808 1787 L CB 1.356 43.278 42.059 -0.229 0.000 1.149 1787 L HN 0.082 nan 8.230 nan 0.000 0.442 1788 E N 0.953 120.837 120.200 -0.526 0.000 2.204 1788 E HA -0.155 4.157 4.350 -0.064 0.000 0.194 1788 E C 1.970 178.474 176.600 -0.159 0.000 0.989 1788 E CA 1.477 57.612 56.400 -0.441 0.000 0.824 1788 E CB 0.126 29.691 29.700 -0.225 0.000 0.756 1788 E HN 0.824 nan 8.360 nan 0.000 0.477 1789 S N 0.639 116.285 115.700 -0.090 0.000 2.428 1789 S HA -0.116 4.316 4.470 -0.064 0.000 0.230 1789 S C 0.813 175.456 174.600 0.071 0.000 1.014 1789 S CA -0.065 58.133 58.200 -0.003 0.000 0.957 1789 S CB -0.469 62.735 63.200 0.007 0.000 0.784 1789 S HN 0.145 nan 8.310 nan 0.000 0.499 1790 F N 4.741 124.662 119.950 -0.049 0.000 2.504 1790 F HA 0.419 4.915 4.527 -0.050 0.000 0.369 1790 F C -2.640 173.197 175.800 0.061 0.000 1.082 1790 F CA -2.741 55.270 58.000 0.019 0.000 1.216 1790 F CB 0.204 39.226 39.000 0.036 0.000 1.108 1790 F HN -0.001 nan 8.300 nan 0.000 0.554 1791 P HA 0.251 nan 4.420 nan 0.000 0.267 1791 P C 0.318 177.349 177.300 -0.449 0.000 1.209 1791 P CA 0.887 63.735 63.100 -0.419 0.000 0.763 1791 P CB 0.722 32.169 31.700 -0.421 0.000 0.816 1792 G N 2.250 110.995 108.800 -0.093 0.000 2.176 1792 G HA2 -0.314 3.607 3.960 -0.064 0.000 0.232 1792 G HA3 -0.314 3.607 3.960 -0.064 0.000 0.232 1792 G C 1.214 176.251 174.900 0.229 0.000 0.986 1792 G CA 0.301 45.435 45.100 0.057 0.000 0.643 1792 G HN 0.690 nan 8.290 nan 0.000 0.522 1793 H N 0.798 119.988 119.070 0.200 0.000 2.387 1793 H HA -0.104 4.402 4.556 -0.084 0.000 0.299 1793 H C 2.056 177.478 175.328 0.156 0.000 1.099 1793 H CA 2.012 58.190 56.048 0.218 0.000 1.315 1793 H CB 0.152 30.015 29.762 0.169 0.000 1.380 1793 H HN 0.420 nan 8.280 nan 0.000 0.513 1794 D N 0.370 120.794 120.400 0.041 0.000 2.117 1794 D HA -0.089 4.512 4.640 -0.064 0.000 0.198 1794 D C 2.497 178.777 176.300 -0.033 0.000 0.982 1794 D CA 0.835 54.815 54.000 -0.034 0.000 0.828 1794 D CB -0.165 40.654 40.800 0.031 0.000 0.967 1794 D HN 0.457 nan 8.370 nan 0.000 0.464 1795 I N 0.781 121.361 120.570 0.016 0.000 2.202 1795 I HA -0.224 3.907 4.170 -0.064 0.000 0.242 1795 I C 2.417 178.550 176.117 0.027 0.000 1.091 1795 I CA 1.013 62.327 61.300 0.023 0.000 1.368 1795 I CB -0.183 37.842 38.000 0.042 0.000 1.058 1795 I HN -0.078 nan 8.210 nan 0.000 0.410 1796 A N 0.757 123.618 122.820 0.069 0.000 1.933 1796 A HA -0.274 4.007 4.320 -0.064 0.000 0.218 1796 A C 2.361 179.970 177.584 0.041 0.000 1.175 1796 A CA 2.027 54.127 52.037 0.106 0.000 0.628 1796 A CB -0.573 18.573 19.000 0.244 0.000 0.814 1796 A HN 0.402 nan 8.150 nan 0.000 0.444 1797 K N -0.220 120.155 120.400 -0.042 0.000 2.097 1797 K HA -0.164 4.117 4.320 -0.064 0.000 0.206 1797 K C 1.967 178.520 176.600 -0.079 0.000 1.049 1797 K CA 1.824 58.055 56.287 -0.092 0.000 0.933 1797 K CB -0.160 32.193 32.500 -0.245 0.000 0.717 1797 K HN 0.416 nan 8.250 nan 0.000 0.442 1798 K N -0.044 120.322 120.400 -0.056 0.000 2.116 1798 K HA -0.044 4.237 4.320 -0.064 0.000 0.203 1798 K C 2.049 178.630 176.600 -0.031 0.000 1.052 1798 K CA 1.250 57.515 56.287 -0.038 0.000 0.952 1798 K CB 0.232 32.717 32.500 -0.024 0.000 0.729 1798 K HN 0.247 nan 8.250 nan 0.000 0.446 1799 Q N -0.662 119.124 119.800 -0.023 0.000 2.384 1799 Q HA 0.164 4.466 4.340 -0.064 0.000 0.207 1799 Q C 0.158 176.147 176.000 -0.019 0.000 0.904 1799 Q CA 0.301 56.096 55.803 -0.013 0.000 0.933 1799 Q CB 0.622 29.363 28.738 0.004 0.000 1.077 1799 Q HN 0.226 nan 8.270 nan 0.000 0.522 1800 M N -0.413 119.156 119.600 -0.052 0.000 2.662 1800 M HA 0.277 4.719 4.480 -0.064 0.000 0.310 1800 M C 0.339 176.548 176.300 -0.151 0.000 1.204 1800 M CA -0.386 54.867 55.300 -0.078 0.000 0.891 1800 M CB 1.873 34.411 32.600 -0.103 0.000 1.732 1800 M HN -0.123 nan 8.290 nan 0.000 0.467 1801 T N -2.450 112.045 114.554 -0.099 0.000 3.105 1801 T HA 0.543 4.854 4.350 -0.064 0.000 0.253 1801 T C 0.469 174.973 174.700 -0.326 0.000 1.047 1801 T CA 0.115 62.150 62.100 -0.109 0.000 0.944 1801 T CB 0.018 68.915 68.868 0.047 0.000 1.016 1801 T HN 0.946 nan 8.240 nan 0.000 0.544 1802 G N -0.116 108.268 108.800 -0.692 0.000 2.428 1802 G HA2 0.524 4.446 3.960 -0.064 0.000 0.304 1802 G HA3 0.524 4.446 3.960 -0.064 0.000 0.304 1802 G C -2.361 171.747 174.900 -1.319 0.000 1.303 1802 G CA -1.091 43.127 45.100 -1.470 0.000 0.825 1802 G HN 0.218 nan 8.290 nan 0.000 0.484 1803 Y N -0.438 119.452 120.300 -0.683 0.000 2.477 1803 Y HA 0.611 4.950 4.550 -0.353 0.000 0.347 1803 Y C 0.961 176.816 175.900 -0.076 0.000 0.981 1803 Y CA -0.269 57.709 58.100 -0.203 0.000 1.033 1803 Y CB 2.175 40.607 38.460 -0.047 0.000 1.245 1803 Y HN 0.865 nan 8.280 nan 0.000 0.455 1804 G N 0.225 109.101 108.800 0.127 0.000 2.683 1804 G HA2 0.314 4.236 3.960 -0.064 0.000 0.260 1804 G HA3 0.314 4.236 3.960 -0.064 0.000 0.260 1804 G C 0.460 175.417 174.900 0.096 0.000 1.238 1804 G CA -0.066 45.016 45.100 -0.029 0.000 0.934 1804 G HN 0.748 nan 8.290 nan 0.000 0.534 1805 S N -1.897 113.897 115.700 0.157 0.000 2.663 1805 S HA 0.262 4.693 4.470 -0.064 0.000 0.243 1805 S C 0.346 175.137 174.600 0.318 0.000 1.009 1805 S CA -0.303 58.094 58.200 0.328 0.000 0.988 1805 S CB 0.379 63.805 63.200 0.377 0.000 0.896 1805 S HN 0.399 nan 8.310 nan 0.000 0.502 1806 T N 3.655 118.280 114.554 0.118 0.000 2.758 1806 T HA 0.685 4.997 4.350 -0.064 0.000 0.285 1806 T C -0.762 173.973 174.700 0.059 0.000 0.981 1806 T CA -0.495 61.533 62.100 -0.120 0.000 0.965 1806 T CB 0.304 68.811 68.868 -0.601 0.000 0.927 1806 T HN 0.479 nan 8.240 nan 0.000 0.448 1807 F N 1.364 121.319 119.950 0.009 0.000 2.745 1807 F HA 0.810 5.305 4.527 -0.054 0.000 0.316 1807 F C -1.799 174.089 175.800 0.147 0.000 1.155 1807 F CA -1.843 56.198 58.000 0.068 0.000 0.937 1807 F CB 1.185 40.194 39.000 0.015 0.000 1.361 1807 F HN 0.457 nan 8.300 nan 0.000 0.472 1808 L N 2.311 123.711 121.223 0.296 0.000 2.334 1808 L HA 0.841 5.142 4.340 -0.064 0.000 0.273 1808 L C -1.504 175.558 176.870 0.321 0.000 1.013 1808 L CA -0.863 54.055 54.840 0.129 0.000 0.816 1808 L CB 1.900 44.007 42.059 0.080 0.000 1.278 1808 L HN 0.781 nan 8.230 nan 0.000 0.431 1809 F N 0.641 120.673 119.950 0.137 0.000 2.626 1809 F HA 0.600 5.086 4.527 -0.068 0.000 0.311 1809 F C -0.902 174.961 175.800 0.105 0.000 1.088 1809 F CA -0.947 57.144 58.000 0.151 0.000 0.949 1809 F CB 1.273 40.377 39.000 0.173 0.000 1.322 1809 F HN 0.472 nan 8.300 nan 0.000 0.461 1810 E N 3.081 123.438 120.200 0.263 0.000 2.156 1810 E HA 0.383 4.694 4.350 -0.064 0.000 0.279 1810 E C -0.874 175.848 176.600 0.204 0.000 0.965 1810 E CA -0.895 55.597 56.400 0.153 0.000 0.789 1810 E CB 0.979 30.755 29.700 0.127 0.000 1.098 1810 E HN 0.571 nan 8.360 nan 0.000 0.397 1811 M N 3.073 122.762 119.600 0.149 0.000 2.371 1811 M HA 0.232 4.673 4.480 -0.064 0.000 0.301 1811 M C 0.822 177.188 176.300 0.110 0.000 1.173 1811 M CA -0.065 55.322 55.300 0.146 0.000 1.020 1811 M CB 0.802 33.474 32.600 0.119 0.000 1.490 1811 M HN 0.480 nan 8.290 nan 0.000 0.485 1812 K N 0.243 120.700 120.400 0.095 0.000 2.366 1812 K HA 0.014 4.295 4.320 -0.064 0.000 0.198 1812 K C 0.311 176.959 176.600 0.079 0.000 1.044 1812 K CA 0.439 56.773 56.287 0.078 0.000 0.973 1812 K CB 0.201 32.741 32.500 0.065 0.000 0.767 1812 K HN 0.801 nan 8.250 nan 0.000 0.475 1813 S N -1.967 113.785 115.700 0.086 0.000 2.636 1813 S HA 0.175 4.607 4.470 -0.064 0.000 0.268 1813 S C 0.215 174.898 174.600 0.138 0.000 1.159 1813 S CA -1.013 57.252 58.200 0.108 0.000 0.815 1813 S CB 0.238 63.490 63.200 0.088 0.000 1.130 1813 S HN 0.084 nan 8.310 nan 0.000 0.471 1814 F N 1.588 121.557 119.950 0.033 0.000 2.102 1814 F HA -0.017 4.471 4.527 -0.065 0.000 0.298 1814 F C 2.367 178.162 175.800 -0.009 0.000 1.105 1814 F CA 1.997 60.005 58.000 0.014 0.000 1.239 1814 F CB -0.131 38.875 39.000 0.010 0.000 0.991 1814 F HN 0.665 nan 8.300 nan 0.000 0.474 1815 E N 0.884 121.002 120.200 -0.136 0.000 2.097 1815 E HA -0.250 4.062 4.350 -0.064 0.000 0.196 1815 E C 2.365 178.854 176.600 -0.185 0.000 1.000 1815 E CA 1.290 57.564 56.400 -0.211 0.000 0.804 1815 E CB -0.917 28.760 29.700 -0.039 0.000 0.740 1815 E HN 0.546 nan 8.360 nan 0.000 0.454 1816 A N 1.110 123.878 122.820 -0.086 0.000 1.930 1816 A HA -0.034 4.247 4.320 -0.064 0.000 0.217 1816 A C 2.383 179.932 177.584 -0.058 0.000 1.175 1816 A CA 1.964 53.978 52.037 -0.040 0.000 0.627 1816 A CB -0.457 18.553 19.000 0.017 0.000 0.815 1816 A HN 0.267 nan 8.150 nan 0.000 0.443 1817 A N -0.190 122.567 122.820 -0.105 0.000 1.897 1817 A HA -0.104 4.178 4.320 -0.064 0.000 0.215 1817 A C 2.137 179.592 177.584 -0.215 0.000 1.181 1817 A CA 1.784 53.760 52.037 -0.103 0.000 0.620 1817 A CB -0.413 18.557 19.000 -0.051 0.000 0.821 1817 A HN 0.525 nan 8.150 nan 0.000 0.443 1818 K N -0.021 120.107 120.400 -0.454 0.000 2.026 1818 K HA -0.175 4.106 4.320 -0.064 0.000 0.208 1818 K C 2.093 178.582 176.600 -0.187 0.000 1.048 1818 K CA 1.752 57.770 56.287 -0.448 0.000 0.929 1818 K CB -0.225 31.843 32.500 -0.721 0.000 0.713 1818 K HN 0.390 nan 8.250 nan 0.000 0.439 1819 K N 0.521 120.858 120.400 -0.105 0.000 2.057 1819 K HA -0.165 4.117 4.320 -0.064 0.000 0.207 1819 K C 2.226 178.924 176.600 0.164 0.000 1.049 1819 K CA 1.207 57.543 56.287 0.082 0.000 0.931 1819 K CB -0.158 32.367 32.500 0.040 0.000 0.714 1819 K HN 0.113 nan 8.250 nan 0.000 0.440 1820 L N 1.039 122.300 121.223 0.062 0.000 1.994 1820 L HA -0.154 4.148 4.340 -0.064 0.000 0.208 1820 L C 2.029 178.942 176.870 0.072 0.000 1.071 1820 L CA 1.780 56.670 54.840 0.085 0.000 0.745 1820 L CB -0.402 41.715 42.059 0.095 0.000 0.892 1820 L HN 0.189 nan 8.230 nan 0.000 0.431 1821 M N -0.988 118.623 119.600 0.018 0.000 2.279 1821 M HA -0.179 4.262 4.480 -0.064 0.000 0.264 1821 M C 1.610 177.884 176.300 -0.044 0.000 1.062 1821 M CA 1.547 56.844 55.300 -0.005 0.000 1.099 1821 M CB -0.237 32.342 32.600 -0.034 0.000 1.394 1821 M HN 0.363 nan 8.290 nan 0.000 0.426 1822 E N -1.557 118.585 120.200 -0.097 0.000 2.474 1822 E HA -0.011 4.301 4.350 -0.064 0.000 0.195 1822 E C 0.085 176.425 176.600 -0.433 0.000 1.039 1822 E CA 0.259 56.509 56.400 -0.250 0.000 0.881 1822 E CB 0.326 29.832 29.700 -0.323 0.000 0.970 1822 E HN 0.584 nan 8.360 nan 0.000 0.486 1823 H N -0.522 118.539 119.070 -0.015 0.000 2.510 1823 H HA 0.266 4.784 4.556 -0.065 0.000 0.266 1823 H C -0.562 174.766 175.328 -0.000 0.000 1.146 1823 H CA -0.213 55.830 56.048 -0.008 0.000 0.993 1823 H CB 0.416 30.173 29.762 -0.008 0.000 1.727 1823 H HN -0.094 nan 8.280 nan 0.000 0.590 1824 L N 0.724 121.981 121.223 0.058 0.000 2.325 1824 L HA 0.319 4.620 4.340 -0.064 0.000 0.279 1824 L C 0.905 177.790 176.870 0.024 0.000 1.054 1824 L CA -0.212 54.654 54.840 0.044 0.000 0.804 1824 L CB 1.791 43.871 42.059 0.034 0.000 1.200 1824 L HN 0.233 nan 8.230 nan 0.000 0.436 1825 K N 1.382 121.796 120.400 0.023 0.000 2.370 1825 K HA 0.122 4.403 4.320 -0.064 0.000 0.194 1825 K C 1.118 177.722 176.600 0.007 0.000 1.070 1825 K CA 0.237 56.532 56.287 0.014 0.000 0.998 1825 K CB 0.827 33.336 32.500 0.016 0.000 0.911 1825 K HN 0.426 nan 8.250 nan 0.000 0.533 1826 V N 1.091 121.009 119.914 0.006 0.000 2.721 1826 V HA -0.015 4.066 4.120 -0.064 0.000 0.236 1826 V C 1.021 177.118 176.094 0.004 0.000 1.116 1826 V CA 0.146 62.447 62.300 0.002 0.000 1.148 1826 V CB 0.209 32.030 31.823 -0.003 0.000 0.886 1826 V HN 0.223 nan 8.190 nan 0.000 0.490 1827 C N 2.180 121.485 119.300 0.009 0.000 2.634 1827 C HA 0.331 4.752 4.460 -0.064 0.000 0.417 1827 C C 0.874 175.868 174.990 0.007 0.000 1.334 1827 C CA -0.077 58.948 59.018 0.012 0.000 1.829 1827 C CB -0.973 26.780 27.740 0.022 0.000 2.665 1827 C HN 0.495 nan 8.230 nan 0.000 0.614 1828 T N 3.818 118.374 114.554 0.003 0.000 2.794 1828 T HA 0.365 4.677 4.350 -0.064 0.000 0.280 1828 T C -0.228 174.472 174.700 0.000 0.000 0.987 1828 T CA -0.376 61.723 62.100 -0.001 0.000 0.993 1828 T CB 1.047 69.913 68.868 -0.003 0.000 0.939 1828 T HN 0.506 nan 8.240 nan 0.000 0.449 1829 L N 4.169 125.391 121.223 -0.001 0.000 2.407 1829 L HA 0.594 4.895 4.340 -0.064 0.000 0.282 1829 L C -0.081 176.793 176.870 0.006 0.000 1.110 1829 L CA 0.441 55.283 54.840 0.003 0.000 0.863 1829 L CB -1.294 40.761 42.059 -0.006 0.000 1.207 1829 L HN 0.874 nan 8.230 nan 0.000 0.454 1830 A N 3.944 126.771 122.820 0.011 0.000 2.597 1830 A HA 0.612 4.893 4.320 -0.064 0.000 0.292 1830 A C -0.737 176.857 177.584 0.016 0.000 1.057 1830 A CA -0.216 51.829 52.037 0.012 0.000 0.674 1830 A CB 0.639 19.640 19.000 0.002 0.000 1.278 1830 A HN 1.015 nan 8.150 nan 0.000 0.416 1831 V N -0.357 119.572 119.914 0.025 0.000 3.441 1831 V HA 0.889 4.970 4.120 -0.064 0.000 0.300 1831 V C 0.592 176.689 176.094 0.005 0.000 1.062 1831 V CA 0.586 62.906 62.300 0.034 0.000 1.064 1831 V CB 0.836 32.696 31.823 0.062 0.000 1.197 1831 V HN 2.921 nan 8.190 nan 0.000 0.451 1832 S N 0.036 115.734 115.700 -0.002 0.000 4.064 1832 S HA 0.027 4.458 4.470 -0.064 0.000 0.651 1832 S C -1.020 173.521 174.600 -0.098 0.000 1.268 1832 S CA 0.519 58.687 58.200 -0.053 0.000 1.421 1832 S CB -1.225 61.941 63.200 -0.057 0.000 0.335 1832 S HN 2.591 nan 8.310 nan 0.000 1.550 1833 L N -1.400 119.715 121.223 -0.181 0.000 2.838 1833 L HA 0.839 5.140 4.340 -0.064 0.000 0.266 1833 L C 0.953 177.528 176.870 -0.491 0.000 1.040 1833 L CA -0.033 54.626 54.840 -0.302 0.000 0.906 1833 L CB 0.843 42.691 42.059 -0.352 0.000 1.501 1833 L HN 2.258 nan 8.230 nan 0.000 0.407 1834 G N -0.758 107.588 108.800 -0.755 0.000 2.143 1834 G HA2 -0.250 3.672 3.960 -0.064 0.000 0.248 1834 G HA3 -0.250 3.672 3.960 -0.064 0.000 0.248 1834 G C 0.261 174.830 174.900 -0.551 0.000 0.991 1834 G CA 0.217 44.526 45.100 -1.318 0.000 0.689 1834 G HN 0.969 nan 8.290 nan 0.000 0.522 1835 C N -0.138 119.004 119.300 -0.265 0.000 2.500 1835 C HA 0.547 4.968 4.460 -0.064 0.000 0.367 1835 C C 2.654 177.666 174.990 0.036 0.000 1.283 1835 C CA 0.142 59.099 59.018 -0.102 0.000 2.456 1835 C CB 0.703 28.395 27.740 -0.080 0.000 2.457 1835 C HN 1.156 nan 8.230 nan 0.000 0.632 1836 V N 1.128 121.022 119.914 -0.034 0.000 2.720 1836 V HA 0.021 4.103 4.120 -0.064 0.000 0.256 1836 V C 0.727 176.818 176.094 -0.006 0.000 1.082 1836 V CA 1.767 64.040 62.300 -0.045 0.000 1.101 1836 V CB -1.083 30.627 31.823 -0.189 0.000 0.693 1836 V HN 0.919 nan 8.190 nan 0.000 0.479 1837 D N -0.339 120.060 120.400 -0.001 0.000 2.272 1837 D HA 0.226 4.828 4.640 -0.064 0.000 0.247 1837 D C -0.436 175.875 176.300 0.019 0.000 0.990 1837 D CA -0.466 53.538 54.000 0.006 0.000 0.931 1837 D CB 1.607 42.404 40.800 -0.005 0.000 1.195 1837 D HN 0.123 nan 8.370 nan 0.000 0.477 1838 T N 1.409 115.976 114.554 0.021 0.000 2.834 1838 T HA 0.288 4.599 4.350 -0.064 0.000 0.298 1838 T C -0.075 174.626 174.700 0.002 0.000 0.966 1838 T CA -0.362 61.752 62.100 0.022 0.000 1.141 1838 T CB 0.205 69.090 68.868 0.028 0.000 0.905 1838 T HN 0.170 nan 8.240 nan 0.000 0.535 1839 L N 3.681 124.895 121.223 -0.015 0.000 2.342 1839 L HA 0.704 5.006 4.340 -0.064 0.000 0.271 1839 L C -0.228 176.628 176.870 -0.023 0.000 1.008 1839 L CA -0.832 53.993 54.840 -0.024 0.000 0.818 1839 L CB 1.683 43.714 42.059 -0.047 0.000 1.296 1839 L HN 0.639 nan 8.230 nan 0.000 0.427 1840 I N 1.385 121.950 120.570 -0.008 0.000 2.802 1840 I HA 0.491 4.623 4.170 -0.064 0.000 0.298 1840 I C -1.289 174.835 176.117 0.011 0.000 1.176 1840 I CA -0.207 61.093 61.300 0.000 0.000 1.025 1840 I CB 2.061 40.078 38.000 0.030 0.000 1.243 1840 I HN 0.620 nan 8.210 nan 0.000 0.424 1841 E N 5.381 125.589 120.200 0.013 0.000 2.412 1841 E HA 0.230 4.542 4.350 -0.064 0.000 0.279 1841 E C -1.874 174.775 176.600 0.081 0.000 0.984 1841 E CA -0.596 55.834 56.400 0.050 0.000 0.788 1841 E CB 2.073 31.800 29.700 0.046 0.000 1.277 1841 E HN 0.700 nan 8.360 nan 0.000 0.455 1842 H N 4.475 123.554 119.070 0.015 0.000 2.725 1842 H HA 0.294 4.811 4.556 -0.065 0.000 0.283 1842 H C -2.040 173.320 175.328 0.053 0.000 1.110 1842 H CA -2.068 53.995 56.048 0.025 0.000 1.289 1842 H CB 1.504 31.309 29.762 0.071 0.000 1.400 1842 H HN 0.187 nan 8.280 nan 0.000 0.493 1843 P HA -0.185 nan 4.420 nan 0.000 0.216 1843 P C 1.303 178.514 177.300 -0.148 0.000 1.154 1843 P CA 2.012 65.058 63.100 -0.090 0.000 0.865 1843 P CB 0.226 31.838 31.700 -0.147 0.000 0.789 1844 A N -0.434 122.125 122.820 -0.434 0.000 1.969 1844 A HA -0.126 4.155 4.320 -0.064 0.000 0.218 1844 A C 2.135 179.662 177.584 -0.096 0.000 1.169 1844 A CA 2.127 54.005 52.037 -0.265 0.000 0.635 1844 A CB -1.174 17.652 19.000 -0.291 0.000 0.810 1844 A HN 0.355 nan 8.150 nan 0.000 0.445 1845 S N -2.623 113.073 115.700 -0.005 0.000 2.539 1845 S HA 0.438 4.869 4.470 -0.064 0.000 0.221 1845 S C 1.087 175.756 174.600 0.115 0.000 0.987 1845 S CA 0.253 58.538 58.200 0.142 0.000 0.929 1845 S CB -0.008 63.368 63.200 0.293 0.000 0.832 1845 S HN 0.439 nan 8.310 nan 0.000 0.492 1846 M N 1.124 120.778 119.600 0.090 0.000 3.105 1846 M HA 0.180 4.622 4.480 -0.064 0.000 0.157 1846 M C 2.260 178.595 176.300 0.058 0.000 1.882 1846 M CA 0.841 56.191 55.300 0.082 0.000 1.650 1846 M CB -0.675 31.991 32.600 0.110 0.000 0.973 1846 M HN 0.238 nan 8.290 nan 0.000 0.629 1847 T N -1.480 113.135 114.554 0.102 0.000 2.822 1847 T HA -0.178 4.133 4.350 -0.064 0.000 0.270 1847 T C 0.930 175.529 174.700 -0.168 0.000 1.064 1847 T CA 1.845 63.991 62.100 0.077 0.000 1.131 1847 T CB -0.538 68.487 68.868 0.260 0.000 0.858 1847 T HN 0.448 nan 8.240 nan 0.000 0.483 1848 H N -0.434 118.605 119.070 -0.051 0.000 2.662 1848 H HA 0.734 5.251 4.556 -0.065 0.000 0.268 1848 H C 1.915 177.192 175.328 -0.085 0.000 1.152 1848 H CA -0.080 55.915 56.048 -0.088 0.000 1.072 1848 H CB 0.103 29.819 29.762 -0.077 0.000 1.660 1848 H HN 0.423 nan 8.280 nan 0.000 0.584 1849 A N 0.837 123.655 122.820 -0.003 0.000 1.940 1849 A HA -0.113 4.169 4.320 -0.064 0.000 0.219 1849 A C 2.275 179.834 177.584 -0.041 0.000 1.176 1849 A CA 1.783 53.810 52.037 -0.016 0.000 0.631 1849 A CB -0.570 18.424 19.000 -0.010 0.000 0.814 1849 A HN 0.442 nan 8.150 nan 0.000 0.446 1850 A N -0.834 121.941 122.820 -0.076 0.000 2.178 1850 A HA 0.413 4.695 4.320 -0.064 0.000 0.211 1850 A C 0.833 178.362 177.584 -0.092 0.000 1.157 1850 A CA 0.104 52.086 52.037 -0.091 0.000 0.780 1850 A CB -0.391 18.539 19.000 -0.117 0.000 0.828 1850 A HN 0.249 nan 8.150 nan 0.000 0.476 1851 V N 2.563 122.430 119.914 -0.078 0.000 2.493 1851 V HA 0.067 4.149 4.120 -0.064 0.000 0.292 1851 V C -2.085 173.985 176.094 -0.039 0.000 1.016 1851 V CA -0.927 61.341 62.300 -0.054 0.000 1.097 1851 V CB 0.216 32.041 31.823 0.003 0.000 0.947 1851 V HN 0.292 nan 8.190 nan 0.000 0.479 1852 P HA -0.030 nan 4.420 nan 0.000 0.265 1852 P C 1.002 178.288 177.300 -0.024 0.000 1.187 1852 P CA 0.176 63.255 63.100 -0.035 0.000 0.766 1852 P CB 0.498 32.179 31.700 -0.033 0.000 0.820 1853 E N 3.878 124.063 120.200 -0.025 0.000 2.097 1853 E HA -0.359 3.953 4.350 -0.064 0.000 0.196 1853 E C 1.302 177.893 176.600 -0.015 0.000 1.000 1853 E CA 1.834 58.221 56.400 -0.021 0.000 0.804 1853 E CB -0.280 29.406 29.700 -0.023 0.000 0.740 1853 E HN 0.481 nan 8.360 nan 0.000 0.454 1854 N N 1.297 119.989 118.700 -0.014 0.000 2.244 1854 N HA -0.183 4.518 4.740 -0.064 0.000 0.183 1854 N C 2.036 177.544 175.510 -0.004 0.000 1.016 1854 N CA 1.541 54.586 53.050 -0.009 0.000 0.866 1854 N CB -0.657 37.825 38.487 -0.009 0.000 0.980 1854 N HN 0.380 nan 8.380 nan 0.000 0.430 1855 I N 0.188 120.755 120.570 -0.004 0.000 2.500 1855 I HA -0.105 4.026 4.170 -0.064 0.000 0.252 1855 I C 2.624 178.744 176.117 0.004 0.000 1.142 1855 I CA 0.600 61.902 61.300 0.004 0.000 1.451 1855 I CB -0.198 37.804 38.000 0.004 0.000 1.093 1855 I HN 0.102 nan 8.210 nan 0.000 0.430 1856 M N 1.044 120.642 119.600 -0.003 0.000 2.067 1856 M HA -0.214 4.227 4.480 -0.064 0.000 0.260 1856 M C 2.465 178.756 176.300 -0.014 0.000 1.069 1856 M CA 1.958 57.253 55.300 -0.009 0.000 1.117 1856 M CB -0.168 32.423 32.600 -0.015 0.000 1.334 1856 M HN -0.026 nan 8.290 nan 0.000 0.407 1857 R N -0.279 120.215 120.500 -0.011 0.000 2.081 1857 R HA -0.159 4.143 4.340 -0.064 0.000 0.235 1857 R C 2.218 178.516 176.300 -0.004 0.000 1.131 1857 R CA 1.551 57.646 56.100 -0.008 0.000 0.960 1857 R CB -0.329 29.967 30.300 -0.006 0.000 0.856 1857 R HN 0.210 nan 8.270 nan 0.000 0.436 1858 K N 0.855 121.255 120.400 0.000 0.000 2.147 1858 K HA -0.134 4.148 4.320 -0.064 0.000 0.205 1858 K C 1.895 178.500 176.600 0.007 0.000 1.049 1858 K CA 1.414 57.705 56.287 0.006 0.000 0.936 1858 K CB 0.096 32.603 32.500 0.011 0.000 0.722 1858 K HN 0.210 nan 8.250 nan 0.000 0.446 1859 Q N -1.430 118.370 119.800 0.000 0.000 2.311 1859 Q HA 0.086 4.388 4.340 -0.064 0.000 0.203 1859 Q C 0.546 176.537 176.000 -0.014 0.000 0.954 1859 Q CA 0.687 56.486 55.803 -0.008 0.000 0.885 1859 Q CB 0.378 29.101 28.738 -0.025 0.000 0.963 1859 Q HN 0.445 nan 8.270 nan 0.000 0.471 1860 G N 1.620 110.412 108.800 -0.014 0.000 2.248 1860 G HA2 -0.256 3.665 3.960 -0.064 0.000 0.263 1860 G HA3 -0.256 3.665 3.960 -0.064 0.000 0.263 1860 G C -0.232 174.653 174.900 -0.025 0.000 1.082 1860 G CA -0.160 44.935 45.100 -0.009 0.000 0.863 1860 G HN 0.267 nan 8.290 nan 0.000 0.495 1861 I N 1.812 122.353 120.570 -0.048 0.000 2.312 1861 I HA 0.523 4.654 4.170 -0.064 0.000 0.290 1861 I C 0.830 176.910 176.117 -0.060 0.000 1.008 1861 I CA 0.015 61.267 61.300 -0.080 0.000 1.226 1861 I CB 1.561 39.480 38.000 -0.135 0.000 1.371 1861 I HN 0.349 nan 8.210 nan 0.000 0.468 1862 T N 2.480 117.004 114.554 -0.049 0.000 2.916 1862 T HA 0.470 4.781 4.350 -0.064 0.000 0.292 1862 T C -2.298 172.402 174.700 0.000 0.000 1.064 1862 T CA -2.068 60.021 62.100 -0.018 0.000 1.011 1862 T CB 1.987 70.864 68.868 0.014 0.000 1.152 1862 T HN 0.153 nan 8.240 nan 0.000 0.510 1863 P HA 0.044 nan 4.420 nan 0.000 0.228 1863 P C 0.627 178.164 177.300 0.394 0.000 1.151 1863 P CA 0.728 63.969 63.100 0.235 0.000 0.770 1863 P CB 0.011 31.772 31.700 0.103 0.000 0.786 1864 E N -1.086 119.238 120.200 0.206 0.000 2.481 1864 E HA 0.066 4.377 4.350 -0.064 0.000 0.195 1864 E C 0.395 177.058 176.600 0.104 0.000 1.047 1864 E CA 0.146 56.650 56.400 0.174 0.000 0.867 1864 E CB -0.327 29.446 29.700 0.120 0.000 0.858 1864 E HN 0.281 nan 8.360 nan 0.000 0.513 1865 L N 0.993 122.248 121.223 0.053 0.000 2.305 1865 L HA 0.333 4.635 4.340 -0.064 0.000 0.281 1865 L C -0.346 176.453 176.870 -0.118 0.000 1.085 1865 L CA -0.736 54.062 54.840 -0.072 0.000 0.813 1865 L CB 1.060 43.063 42.059 -0.093 0.000 1.157 1865 L HN -0.164 nan 8.230 nan 0.000 0.436 1866 V N 3.822 123.505 119.914 -0.385 0.000 2.604 1866 V HA 0.479 4.561 4.120 -0.064 0.000 0.305 1866 V C -0.123 175.603 176.094 -0.614 0.000 1.043 1866 V CA -0.712 61.302 62.300 -0.476 0.000 0.888 1866 V CB 2.180 33.613 31.823 -0.649 0.000 0.995 1866 V HN 0.702 nan 8.190 nan 0.000 0.429 1867 R N 3.927 124.251 120.500 -0.294 0.000 2.445 1867 R HA 0.702 5.003 4.340 -0.064 0.000 0.308 1867 R C -1.437 174.769 176.300 -0.156 0.000 0.961 1867 R CA -0.539 55.440 56.100 -0.202 0.000 0.862 1867 R CB 1.668 31.932 30.300 -0.060 0.000 1.144 1867 R HN 0.784 nan 8.270 nan 0.000 0.447 1868 I N 1.947 122.389 120.570 -0.214 0.000 2.569 1868 I HA 0.272 4.403 4.170 -0.064 0.000 0.296 1868 I C -1.000 174.956 176.117 -0.268 0.000 1.028 1868 I CA -0.373 60.812 61.300 -0.193 0.000 1.082 1868 I CB 2.219 40.146 38.000 -0.121 0.000 1.264 1868 I HN 0.551 nan 8.210 nan 0.000 0.429 1869 S N 6.522 122.133 115.700 -0.148 0.000 2.601 1869 S HA 0.432 4.863 4.470 -0.064 0.000 0.312 1869 S C -0.794 173.802 174.600 -0.008 0.000 1.107 1869 S CA -0.554 57.575 58.200 -0.118 0.000 1.129 1869 S CB 0.517 63.614 63.200 -0.172 0.000 0.982 1869 S HN 0.395 nan 8.310 nan 0.000 0.469 1870 V N 5.604 125.576 119.914 0.097 0.000 2.470 1870 V HA 0.391 4.473 4.120 -0.064 0.000 0.276 1870 V C 1.541 177.806 176.094 0.286 0.000 1.040 1870 V CA 0.199 62.607 62.300 0.181 0.000 1.008 1870 V CB 0.541 32.522 31.823 0.263 0.000 0.990 1870 V HN 0.897 nan 8.190 nan 0.000 0.477 1871 G N 4.059 112.974 108.800 0.191 0.000 2.489 1871 G HA2 0.367 4.289 3.960 -0.064 0.000 0.271 1871 G HA3 0.367 4.289 3.960 -0.064 0.000 0.271 1871 G C 0.607 175.524 174.900 0.029 0.000 1.427 1871 G CA -0.201 45.010 45.100 0.184 0.000 1.057 1871 G HN 0.948 nan 8.290 nan 0.000 0.532 1872 I N -2.247 118.254 120.570 -0.114 0.000 3.914 1872 I HA 0.410 4.542 4.170 -0.064 0.000 0.333 1872 I C -0.156 175.916 176.117 -0.074 0.000 1.449 1872 I CA -0.385 60.815 61.300 -0.168 0.000 1.135 1872 I CB 0.030 37.869 38.000 -0.268 0.000 1.073 1872 I HN 0.119 nan 8.210 nan 0.000 0.401 1873 E N 2.161 122.339 120.200 -0.037 0.000 2.425 1873 E HA -0.000 4.311 4.350 -0.064 0.000 0.258 1873 E C 0.017 176.604 176.600 -0.022 0.000 1.151 1873 E CA -0.058 56.328 56.400 -0.024 0.000 0.958 1873 E CB 0.247 29.940 29.700 -0.012 0.000 0.968 1873 E HN 0.380 nan 8.360 nan 0.000 0.451 1874 N N 0.354 119.041 118.700 -0.022 0.000 2.411 1874 N HA -0.095 4.606 4.740 -0.064 0.000 0.261 1874 N C 0.627 176.121 175.510 -0.026 0.000 1.248 1874 N CA -0.005 53.032 53.050 -0.023 0.000 0.885 1874 N CB 0.613 39.086 38.487 -0.023 0.000 1.062 1874 N HN 0.330 nan 8.380 nan 0.000 0.471 1875 V N 2.065 121.964 119.914 -0.024 0.000 2.324 1875 V HA -0.262 3.820 4.120 -0.064 0.000 0.250 1875 V C 1.480 177.533 176.094 -0.068 0.000 1.060 1875 V CA 1.808 64.089 62.300 -0.031 0.000 1.042 1875 V CB -0.583 31.225 31.823 -0.026 0.000 0.650 1875 V HN 0.692 nan 8.190 nan 0.000 0.450 1876 D N 0.379 120.738 120.400 -0.068 0.000 2.178 1876 D HA -0.149 4.452 4.640 -0.064 0.000 0.201 1876 D C 1.889 178.132 176.300 -0.096 0.000 0.980 1876 D CA 1.555 55.500 54.000 -0.093 0.000 0.842 1876 D CB -0.305 40.455 40.800 -0.067 0.000 0.948 1876 D HN 0.470 nan 8.370 nan 0.000 0.472 1877 D N 0.411 120.771 120.400 -0.066 0.000 2.144 1877 D HA -0.080 4.521 4.640 -0.064 0.000 0.200 1877 D C 2.249 178.511 176.300 -0.064 0.000 0.978 1877 D CA 0.289 54.255 54.000 -0.056 0.000 0.833 1877 D CB -0.194 40.585 40.800 -0.035 0.000 0.961 1877 D HN 0.385 nan 8.370 nan 0.000 0.470 1878 I N -1.193 119.338 120.570 -0.064 0.000 2.406 1878 I HA -0.081 4.051 4.170 -0.064 0.000 0.249 1878 I C 2.014 178.060 176.117 -0.118 0.000 1.122 1878 I CA 0.781 62.046 61.300 -0.058 0.000 1.431 1878 I CB -0.004 37.984 38.000 -0.019 0.000 1.087 1878 I HN -0.167 nan 8.210 nan 0.000 0.424 1879 I N 1.748 122.193 120.570 -0.209 0.000 2.179 1879 I HA -0.263 3.868 4.170 -0.064 0.000 0.242 1879 I C 2.886 178.752 176.117 -0.418 0.000 1.088 1879 I CA 1.481 62.502 61.300 -0.466 0.000 1.357 1879 I CB -0.586 37.039 38.000 -0.625 0.000 1.051 1879 I HN 0.375 nan 8.210 nan 0.000 0.409 1880 A N 0.136 122.807 122.820 -0.249 0.000 1.978 1880 A HA -0.307 3.974 4.320 -0.064 0.000 0.220 1880 A C 1.968 179.504 177.584 -0.079 0.000 1.170 1880 A CA 2.353 54.303 52.037 -0.145 0.000 0.636 1880 A CB -0.650 18.294 19.000 -0.093 0.000 0.810 1880 A HN 0.462 nan 8.150 nan 0.000 0.448 1881 D N -0.225 120.135 120.400 -0.067 0.000 2.097 1881 D HA -0.078 4.523 4.640 -0.064 0.000 0.197 1881 D C 1.831 178.131 176.300 -0.000 0.000 0.984 1881 D CA 1.137 55.124 54.000 -0.022 0.000 0.826 1881 D CB -0.217 40.575 40.800 -0.014 0.000 0.973 1881 D HN 0.407 nan 8.370 nan 0.000 0.460 1882 L N 0.057 121.274 121.223 -0.009 0.000 2.083 1882 L HA -0.108 4.194 4.340 -0.064 0.000 0.209 1882 L C 2.595 179.516 176.870 0.084 0.000 1.083 1882 L CA 1.001 55.870 54.840 0.049 0.000 0.752 1882 L CB -0.356 41.760 42.059 0.095 0.000 0.899 1882 L HN 0.017 nan 8.230 nan 0.000 0.433 1883 K N 0.294 120.739 120.400 0.075 0.000 2.009 1883 K HA -0.272 4.009 4.320 -0.064 0.000 0.210 1883 K C 2.220 178.882 176.600 0.102 0.000 1.049 1883 K CA 2.047 58.436 56.287 0.170 0.000 0.929 1883 K CB -0.014 32.544 32.500 0.096 0.000 0.714 1883 K HN 0.345 nan 8.250 nan 0.000 0.440 1884 Q N -0.094 119.737 119.800 0.052 0.000 2.170 1884 Q HA -0.064 4.238 4.340 -0.064 0.000 0.203 1884 Q C 1.631 177.651 176.000 0.033 0.000 0.976 1884 Q CA 1.742 57.569 55.803 0.039 0.000 0.858 1884 Q CB -0.414 28.338 28.738 0.023 0.000 0.907 1884 Q HN 0.274 nan 8.270 nan 0.000 0.433 1885 A N 0.447 123.293 122.820 0.043 0.000 2.014 1885 A HA 0.098 4.380 4.320 -0.064 0.000 0.218 1885 A C 2.014 179.614 177.584 0.027 0.000 1.163 1885 A CA 0.882 52.951 52.037 0.052 0.000 0.652 1885 A CB -0.387 18.662 19.000 0.082 0.000 0.808 1885 A HN 0.401 nan 8.150 nan 0.000 0.449 1886 L N -1.517 119.714 121.223 0.013 0.000 2.375 1886 L HA 0.044 4.345 4.340 -0.064 0.000 0.215 1886 L C 2.065 178.961 176.870 0.044 0.000 1.108 1886 L CA 0.788 55.615 54.840 -0.022 0.000 0.830 1886 L CB 0.008 41.937 42.059 -0.217 0.000 0.959 1886 L HN 0.404 nan 8.230 nan 0.000 0.457 1887 E N -0.975 119.263 120.200 0.063 0.000 2.413 1887 E HA 0.215 4.526 4.350 -0.064 0.000 0.203 1887 E C 0.271 176.886 176.600 0.024 0.000 0.957 1887 E CA -0.027 56.422 56.400 0.082 0.000 0.950 1887 E CB 0.727 30.502 29.700 0.124 0.000 0.957 1887 E HN 0.267 nan 8.360 nan 0.000 0.497 1888 L N 0.000 121.217 121.223 -0.010 0.000 2.949 1888 L HA 0.000 4.301 4.340 -0.064 0.000 0.249 1888 L CA 0.000 54.811 54.840 -0.049 0.000 0.813 1888 L CB 0.000 42.035 42.059 -0.040 0.000 0.961 1888 L HN 0.000 nan 8.230 nan 0.000 0.502