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 3aej_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 0.000 176.302 176.300 0.004 0.000 2.045 1505 D CA 0.000 54.006 54.000 0.010 0.000 0.868 1505 D CB 0.000 40.810 40.800 0.017 0.000 0.688 1506 I N 0.738 121.302 120.570 -0.010 0.000 2.676 1506 I HA -0.151 3.943 4.170 -0.126 0.000 0.259 1506 I C 2.348 178.458 176.117 -0.012 0.000 1.194 1506 I CA 1.173 62.460 61.300 -0.022 0.000 1.473 1506 I CB -0.231 37.738 38.000 -0.052 0.000 1.096 1506 I HN 0.419 nan 8.210 nan 0.000 0.443 1507 T N -0.017 114.536 114.554 -0.002 0.000 2.665 1507 T HA -0.226 4.048 4.350 -0.126 0.000 0.268 1507 T C 1.955 176.678 174.700 0.039 0.000 1.035 1507 T CA 2.248 64.354 62.100 0.010 0.000 1.151 1507 T CB -0.700 68.179 68.868 0.018 0.000 0.862 1507 T HN 0.379 nan 8.240 nan 0.000 0.438 1508 T N 2.018 116.612 114.554 0.067 0.000 2.720 1508 T HA -0.134 4.141 4.350 -0.126 0.000 0.268 1508 T C 2.302 177.094 174.700 0.152 0.000 1.037 1508 T CA 1.755 63.940 62.100 0.142 0.000 1.144 1508 T CB -0.838 68.084 68.868 0.090 0.000 0.864 1508 T HN 0.457 nan 8.240 nan 0.000 0.444 1509 T N 2.435 117.028 114.554 0.066 0.000 2.746 1509 T HA 0.040 4.315 4.350 -0.126 0.000 0.267 1509 T C 1.993 176.705 174.700 0.021 0.000 1.039 1509 T CA 0.916 63.040 62.100 0.040 0.000 1.142 1509 T CB -0.445 68.423 68.868 0.001 0.000 0.866 1509 T HN 0.261 nan 8.240 nan 0.000 0.444 1510 L N 0.231 121.451 121.223 -0.004 0.000 2.109 1510 L HA 0.075 4.340 4.340 -0.126 0.000 0.207 1510 L C 2.344 179.180 176.870 -0.058 0.000 1.086 1510 L CA 0.876 55.694 54.840 -0.036 0.000 0.760 1510 L CB -0.476 41.559 42.059 -0.041 0.000 0.910 1510 L HN 0.235 nan 8.230 nan 0.000 0.437 1511 L N -1.229 119.955 121.223 -0.066 0.000 2.313 1511 L HA -0.065 4.199 4.340 -0.126 0.000 0.214 1511 L C 0.589 177.198 176.870 -0.435 0.000 1.119 1511 L CA 0.517 55.225 54.840 -0.220 0.000 0.809 1511 L CB -0.189 41.739 42.059 -0.219 0.000 0.933 1511 L HN 0.341 nan 8.230 nan 0.000 0.449 1512 H N -0.222 118.848 119.070 -0.000 0.000 2.423 1512 H HA 0.328 4.807 4.556 -0.127 0.000 0.237 1512 H C -2.249 173.065 175.328 -0.023 0.000 1.391 1512 H CA -1.743 54.308 56.048 0.005 0.000 1.453 1512 H CB 0.382 30.158 29.762 0.023 0.000 1.484 1512 H HN 0.065 nan 8.280 nan 0.000 0.505 1513 P HA 0.113 nan 4.420 nan 0.000 0.276 1513 P C -0.121 177.156 177.300 -0.039 0.000 1.252 1513 P CA -0.782 62.300 63.100 -0.032 0.000 0.802 1513 P CB 1.298 32.950 31.700 -0.079 0.000 1.035 1514 K N 0.555 120.923 120.400 -0.053 0.000 2.382 1514 K HA 0.574 4.819 4.320 -0.126 0.000 0.275 1514 K C 0.686 177.239 176.600 -0.078 0.000 1.009 1514 K CA 0.414 56.667 56.287 -0.055 0.000 0.970 1514 K CB -0.395 32.073 32.500 -0.052 0.000 0.934 1514 K HN 0.888 nan 8.250 nan 0.000 0.479 1515 G N 1.522 110.281 108.800 -0.070 0.000 2.362 1515 G HA2 -0.035 3.849 3.960 -0.126 0.000 0.656 1515 G HA3 -0.035 3.849 3.960 -0.126 0.000 0.656 1515 G C -1.737 173.113 174.900 -0.083 0.000 1.376 1515 G CA -1.080 43.983 45.100 -0.061 0.000 0.971 1515 G HN 0.497 nan 8.290 nan 0.000 0.636 1516 D N 0.283 120.667 120.400 -0.026 0.000 2.264 1516 D HA 0.418 4.982 4.640 -0.126 0.000 0.249 1516 D C 0.445 176.743 176.300 -0.003 0.000 1.070 1516 D CA 0.036 54.015 54.000 -0.036 0.000 0.912 1516 D CB 0.840 41.649 40.800 0.016 0.000 1.193 1516 D HN 0.428 nan 8.370 nan 0.000 0.427 1517 H N -0.530 118.583 119.070 0.071 0.000 2.771 1517 H HA 0.188 4.668 4.556 -0.127 0.000 0.364 1517 H C -0.139 175.182 175.328 -0.011 0.000 1.133 1517 H CA -0.186 55.894 56.048 0.053 0.000 1.423 1517 H CB 0.819 30.589 29.762 0.013 0.000 1.425 1517 H HN -0.037 nan 8.280 nan 0.000 0.606 1518 V N 4.671 124.639 119.914 0.091 0.000 2.328 1518 V HA 0.021 4.066 4.120 -0.126 0.000 0.278 1518 V C 0.507 176.610 176.094 0.014 0.000 1.021 1518 V CA -0.451 61.856 62.300 0.011 0.000 0.838 1518 V CB 0.697 32.470 31.823 -0.083 0.000 0.999 1518 V HN 0.779 nan 8.190 nan 0.000 0.447 1519 L N 6.048 127.287 121.223 0.027 0.000 3.781 1519 L HA -0.280 3.985 4.340 -0.126 0.000 0.426 1519 L C 0.994 177.970 176.870 0.177 0.000 1.197 1519 L CA 0.547 55.442 54.840 0.092 0.000 0.907 1519 L CB -1.622 40.474 42.059 0.062 0.000 1.812 1519 L HN 1.087 nan 8.230 nan 0.000 0.956 1520 H N -2.615 116.485 119.070 0.051 0.000 3.047 1520 H HA -0.172 4.309 4.556 -0.126 0.000 0.263 1520 H C 1.063 176.373 175.328 -0.030 0.000 1.168 1520 H CA 1.088 57.141 56.048 0.008 0.000 1.152 1520 H CB -1.074 28.683 29.762 -0.008 0.000 1.278 1520 H HN 0.504 nan 8.280 nan 0.000 0.339 1521 S N -0.386 115.364 115.700 0.084 0.000 2.533 1521 S HA -0.025 4.370 4.470 -0.126 0.000 0.282 1521 S C 1.567 176.230 174.600 0.105 0.000 1.304 1521 S CA 0.024 58.268 58.200 0.074 0.000 1.063 1521 S CB 0.655 63.873 63.200 0.030 0.000 0.881 1521 S HN 0.548 nan 8.310 nan 0.000 0.493 1522 H N 3.954 123.023 119.070 -0.002 0.000 2.276 1522 H HA 0.047 4.528 4.556 -0.126 0.000 0.301 1522 H C 0.987 176.402 175.328 0.145 0.000 1.073 1522 H CA 1.184 57.242 56.048 0.016 0.000 1.311 1522 H CB -0.226 29.540 29.762 0.007 0.000 1.379 1522 H HN 0.733 nan 8.280 nan 0.000 0.494 1523 A N 0.538 123.408 122.820 0.084 0.000 2.388 1523 A HA 0.138 4.382 4.320 -0.126 0.000 0.257 1523 A C -1.002 176.697 177.584 0.192 0.000 1.095 1523 A CA -0.285 51.812 52.037 0.100 0.000 0.791 1523 A CB -0.264 18.838 19.000 0.169 0.000 1.029 1523 A HN 0.519 nan 8.150 nan 0.000 0.489 1524 Y N 3.394 123.775 120.300 0.135 0.000 2.544 1524 Y HA 0.313 4.788 4.550 -0.125 0.000 0.330 1524 Y C -1.815 174.203 175.900 0.196 0.000 1.136 1524 Y CA -1.154 57.052 58.100 0.177 0.000 1.417 1524 Y CB 0.330 38.889 38.460 0.165 0.000 1.229 1524 Y HN 0.513 nan 8.280 nan 0.000 0.532 1525 P HA 0.077 nan 4.420 nan 0.000 0.269 1525 P C -0.822 176.462 177.300 -0.026 0.000 1.215 1525 P CA 0.165 63.153 63.100 -0.187 0.000 0.780 1525 P CB 0.525 31.923 31.700 -0.503 0.000 0.898 1526 I N 2.353 122.820 120.570 -0.172 0.000 2.294 1526 I HA 0.139 4.233 4.170 -0.126 0.000 0.295 1526 I C 0.188 176.216 176.117 -0.149 0.000 1.098 1526 I CA -0.205 61.038 61.300 -0.096 0.000 1.277 1526 I CB -0.440 37.391 38.000 -0.283 0.000 1.434 1526 I HN 0.238 nan 8.210 nan 0.000 0.498 1527 F N 4.702 124.643 119.950 -0.014 0.000 2.662 1527 F HA 0.095 4.546 4.527 -0.127 0.000 0.365 1527 F C 1.286 177.035 175.800 -0.085 0.000 1.222 1527 F CA -0.255 57.719 58.000 -0.044 0.000 1.315 1527 F CB -0.123 38.894 39.000 0.029 0.000 1.711 1527 F HN 0.489 nan 8.300 nan 0.000 0.651 1528 Q N 2.238 122.013 119.800 -0.043 0.000 2.962 1528 Q HA 0.092 4.357 4.340 -0.126 0.000 0.251 1528 Q C -0.140 175.796 176.000 -0.106 0.000 1.380 1528 Q CA 0.151 55.911 55.803 -0.071 0.000 0.926 1528 Q CB -0.042 28.634 28.738 -0.103 0.000 1.704 1528 Q HN 0.395 nan 8.270 nan 0.000 0.563 1529 T N -0.567 113.915 114.554 -0.120 0.000 2.903 1529 T HA 0.460 4.734 4.350 -0.126 0.000 0.299 1529 T C 0.722 175.267 174.700 -0.259 0.000 1.093 1529 T CA 0.042 62.008 62.100 -0.223 0.000 1.002 1529 T CB 1.251 69.897 68.868 -0.369 0.000 1.127 1529 T HN 0.452 nan 8.240 nan 0.000 0.488 1530 S N 2.186 117.729 115.700 -0.261 0.000 2.398 1530 S HA 0.225 4.619 4.470 -0.126 0.000 0.220 1530 S C 1.057 175.438 174.600 -0.365 0.000 1.046 1530 S CA 0.389 58.404 58.200 -0.308 0.000 0.953 1530 S CB -0.253 62.861 63.200 -0.143 0.000 0.856 1530 S HN 0.714 nan 8.310 nan 0.000 0.506 1531 T N 0.197 114.626 114.554 -0.208 0.000 2.927 1531 T HA 0.713 4.987 4.350 -0.126 0.000 0.286 1531 T C -1.808 172.688 174.700 -0.339 0.000 1.040 1531 T CA -0.811 61.276 62.100 -0.021 0.000 1.010 1531 T CB 0.885 69.853 68.868 0.166 0.000 1.177 1531 T HN 0.202 nan 8.240 nan 0.000 0.546 1532 F N 0.180 120.094 119.950 -0.059 0.000 2.593 1532 F HA 0.588 5.039 4.527 -0.127 0.000 0.320 1532 F C 0.297 175.918 175.800 -0.297 0.000 1.060 1532 F CA -0.760 57.174 58.000 -0.109 0.000 0.940 1532 F CB 1.330 40.309 39.000 -0.035 0.000 1.268 1532 F HN 0.535 nan 8.300 nan 0.000 0.475 1533 C N 1.504 120.792 119.300 -0.019 0.000 2.382 1533 C HA 0.600 4.985 4.460 -0.126 0.000 0.363 1533 C C -0.537 174.400 174.990 -0.088 0.000 1.213 1533 C CA -0.675 58.269 59.018 -0.124 0.000 2.363 1533 C CB 0.117 27.865 27.740 0.013 0.000 2.397 1533 C HN 0.412 nan 8.230 nan 0.000 0.573 1534 F N 0.888 120.914 119.950 0.126 0.000 2.522 1534 F HA 0.323 4.774 4.527 -0.127 0.000 0.324 1534 F C 1.189 177.037 175.800 0.080 0.000 1.077 1534 F CA -0.939 57.124 58.000 0.105 0.000 0.944 1534 F CB 0.762 39.827 39.000 0.109 0.000 1.175 1534 F HN 0.564 nan 8.300 nan 0.000 0.468 1535 D N 0.158 120.726 120.400 0.279 0.000 2.194 1535 D HA 0.002 4.566 4.640 -0.126 0.000 0.204 1535 D C 0.530 176.907 176.300 0.129 0.000 0.964 1535 D CA 1.102 55.198 54.000 0.159 0.000 0.846 1535 D CB 0.332 41.201 40.800 0.115 0.000 0.962 1535 D HN 0.448 nan 8.370 nan 0.000 0.490 1536 S N -2.279 113.499 115.700 0.129 0.000 2.672 1536 S HA 0.256 4.650 4.470 -0.126 0.000 0.271 1536 S C 0.749 175.379 174.600 0.050 0.000 1.171 1536 S CA -0.622 57.625 58.200 0.079 0.000 0.817 1536 S CB 1.494 64.717 63.200 0.040 0.000 1.150 1536 S HN -0.135 nan 8.310 nan 0.000 0.478 1537 T N 1.024 115.594 114.554 0.026 0.000 2.746 1537 T HA -0.119 4.155 4.350 -0.126 0.000 0.267 1537 T C 1.780 176.435 174.700 -0.075 0.000 1.039 1537 T CA 2.058 64.151 62.100 -0.012 0.000 1.142 1537 T CB -0.541 68.327 68.868 0.000 0.000 0.866 1537 T HN 0.640 nan 8.240 nan 0.000 0.444 1538 Q N 1.098 120.867 119.800 -0.051 0.000 2.084 1538 Q HA -0.111 4.154 4.340 -0.126 0.000 0.202 1538 Q C 2.403 178.346 176.000 -0.095 0.000 0.978 1538 Q CA 1.539 57.306 55.803 -0.060 0.000 0.844 1538 Q CB -0.424 28.295 28.738 -0.032 0.000 0.898 1538 Q HN 0.456 nan 8.270 nan 0.000 0.426 1539 Q N -0.938 118.804 119.800 -0.098 0.000 2.084 1539 Q HA -0.114 4.150 4.340 -0.126 0.000 0.202 1539 Q C 1.823 177.644 176.000 -0.299 0.000 0.978 1539 Q CA 1.716 57.447 55.803 -0.120 0.000 0.844 1539 Q CB -0.466 28.251 28.738 -0.033 0.000 0.898 1539 Q HN 0.533 nan 8.270 nan 0.000 0.426 1540 G N 0.284 108.730 108.800 -0.590 0.000 2.402 1540 G HA2 -0.169 3.715 3.960 -0.126 0.000 0.216 1540 G HA3 -0.169 3.715 3.960 -0.126 0.000 0.216 1540 G C 1.518 176.125 174.900 -0.488 0.000 1.162 1540 G CA 1.019 45.299 45.100 -1.366 0.000 0.777 1540 G HN 0.490 nan 8.290 nan 0.000 0.539 1541 A N 1.120 123.797 122.820 -0.239 0.000 1.933 1541 A HA -0.052 4.193 4.320 -0.126 0.000 0.218 1541 A C 2.086 179.662 177.584 -0.014 0.000 1.175 1541 A CA 2.114 54.111 52.037 -0.066 0.000 0.628 1541 A CB -0.409 18.546 19.000 -0.076 0.000 0.814 1541 A HN 0.271 nan 8.150 nan 0.000 0.444 1542 D N 0.102 120.460 120.400 -0.070 0.000 2.117 1542 D HA -0.116 4.448 4.640 -0.126 0.000 0.197 1542 D C 1.891 178.164 176.300 -0.045 0.000 0.987 1542 D CA 1.039 55.009 54.000 -0.050 0.000 0.829 1542 D CB -0.349 40.413 40.800 -0.063 0.000 0.961 1542 D HN 0.454 nan 8.370 nan 0.000 0.460 1543 L N -0.629 120.540 121.223 -0.089 0.000 2.141 1543 L HA -0.104 4.161 4.340 -0.126 0.000 0.209 1543 L C 2.176 178.972 176.870 -0.123 0.000 1.094 1543 L CA 0.591 55.358 54.840 -0.120 0.000 0.763 1543 L CB -0.299 41.669 42.059 -0.151 0.000 0.908 1543 L HN -0.027 nan 8.230 nan 0.000 0.437 1544 F N -0.734 119.177 119.950 -0.066 0.000 2.407 1544 F HA -0.106 4.345 4.527 -0.126 0.000 0.299 1544 F C 2.265 178.048 175.800 -0.027 0.000 1.097 1544 F CA 0.971 58.957 58.000 -0.024 0.000 1.422 1544 F CB -0.070 38.915 39.000 -0.026 0.000 1.067 1544 F HN 0.025 nan 8.300 nan 0.000 0.539 1545 M N -1.309 118.358 119.600 0.113 0.000 2.441 1545 M HA 0.261 4.665 4.480 -0.126 0.000 0.244 1545 M C 1.592 177.896 176.300 0.006 0.000 1.122 1545 M CA 0.807 56.137 55.300 0.050 0.000 1.041 1545 M CB 0.314 32.930 32.600 0.026 0.000 1.438 1545 M HN 0.242 nan 8.290 nan 0.000 0.484 1546 G N 1.290 110.080 108.800 -0.017 0.000 2.176 1546 G HA2 -0.228 3.657 3.960 -0.126 0.000 0.232 1546 G HA3 -0.228 3.657 3.960 -0.126 0.000 0.232 1546 G C -0.022 174.848 174.900 -0.049 0.000 0.986 1546 G CA -0.168 44.907 45.100 -0.041 0.000 0.643 1546 G HN 0.340 nan 8.290 nan 0.000 0.522 1547 K N 0.791 121.166 120.400 -0.043 0.000 2.249 1547 K HA 0.568 4.812 4.320 -0.126 0.000 0.280 1547 K C 1.009 177.575 176.600 -0.057 0.000 1.033 1547 K CA 1.220 57.481 56.287 -0.044 0.000 0.946 1547 K CB 1.025 33.504 32.500 -0.035 0.000 1.005 1547 K HN 1.612 nan 8.250 nan 0.000 0.469 1548 G N 1.926 110.693 108.800 -0.055 0.000 2.829 1548 G HA2 -0.180 3.704 3.960 -0.126 0.000 0.628 1548 G HA3 -0.180 3.704 3.960 -0.126 0.000 0.628 1548 G C -1.083 173.767 174.900 -0.083 0.000 1.412 1548 G CA -0.877 44.188 45.100 -0.059 0.000 0.864 1548 G HN 0.461 nan 8.290 nan 0.000 0.544 1549 E N 0.249 120.399 120.200 -0.083 0.000 2.214 1549 E HA 0.709 4.983 4.350 -0.126 0.000 0.274 1549 E C 0.684 177.199 176.600 -0.142 0.000 0.977 1549 E CA 0.595 56.922 56.400 -0.122 0.000 0.827 1549 E CB 1.519 31.165 29.700 -0.091 0.000 1.130 1549 E HN 2.089 nan 8.360 nan 0.000 0.394 1550 G N 1.570 110.208 108.800 -0.270 0.000 2.361 1550 G HA2 0.055 3.939 3.960 -0.126 0.000 0.331 1550 G HA3 0.055 3.939 3.960 -0.126 0.000 0.331 1550 G C -1.584 172.972 174.900 -0.572 0.000 1.324 1550 G CA -1.005 43.919 45.100 -0.294 0.000 0.984 1550 G HN 0.532 nan 8.290 nan 0.000 0.586 1551 H N -1.467 117.412 119.070 -0.319 0.000 2.731 1551 H HA 0.779 5.259 4.556 -0.127 0.000 0.368 1551 H C 1.081 176.232 175.328 -0.295 0.000 1.168 1551 H CA -0.606 55.095 56.048 -0.579 0.000 1.181 1551 H CB 2.091 30.956 29.762 -1.495 0.000 1.743 1551 H HN 0.391 nan 8.280 nan 0.000 0.547 1552 I N -0.650 119.884 120.570 -0.059 0.000 3.518 1552 I HA 0.169 4.263 4.170 -0.126 0.000 0.260 1552 I C -0.831 175.533 176.117 0.412 0.000 1.148 1552 I CA 0.042 61.443 61.300 0.168 0.000 1.440 1552 I CB 0.756 38.714 38.000 -0.070 0.000 1.485 1552 I HN 0.349 nan 8.210 nan 0.000 0.456 1553 Y N -0.201 120.227 120.300 0.213 0.000 2.521 1553 Y HA 0.278 4.752 4.550 -0.126 0.000 0.332 1553 Y C 0.779 176.818 175.900 0.232 0.000 1.121 1553 Y CA -0.961 57.293 58.100 0.257 0.000 1.037 1553 Y CB 1.825 40.369 38.460 0.141 0.000 1.330 1553 Y HN -0.149 nan 8.280 nan 0.000 0.452 1554 S N 3.018 118.606 115.700 -0.185 0.000 2.400 1554 S HA -0.170 4.224 4.470 -0.126 0.000 0.232 1554 S C 1.920 176.479 174.600 -0.068 0.000 1.025 1554 S CA 1.713 59.866 58.200 -0.079 0.000 0.993 1554 S CB -0.169 62.928 63.200 -0.171 0.000 0.808 1554 S HN 0.730 nan 8.310 nan 0.000 0.478 1555 R N 0.933 121.384 120.500 -0.081 0.000 2.092 1555 R HA 0.021 4.285 4.340 -0.126 0.000 0.231 1555 R C 1.958 178.318 176.300 0.101 0.000 1.119 1555 R CA 1.113 57.258 56.100 0.075 0.000 0.970 1555 R CB -0.268 30.168 30.300 0.228 0.000 0.864 1555 R HN 0.359 nan 8.270 nan 0.000 0.440 1556 L N -0.855 120.460 121.223 0.155 0.000 2.156 1556 L HA 0.163 4.427 4.340 -0.126 0.000 0.208 1556 L C 0.821 177.715 176.870 0.039 0.000 1.095 1556 L CA 0.620 55.514 54.840 0.089 0.000 0.770 1556 L CB 0.039 42.142 42.059 0.073 0.000 0.914 1556 L HN 0.401 nan 8.230 nan 0.000 0.439 1557 G N -0.201 108.628 108.800 0.048 0.000 2.387 1557 G HA2 0.099 3.983 3.960 -0.126 0.000 0.309 1557 G HA3 0.099 3.983 3.960 -0.126 0.000 0.309 1557 G C -1.965 172.958 174.900 0.039 0.000 1.641 1557 G CA -0.618 44.508 45.100 0.043 0.000 0.904 1557 G HN -0.076 nan 8.290 nan 0.000 0.661 1558 N N 2.916 121.614 118.700 -0.003 0.000 2.346 1558 N HA 0.469 5.133 4.740 -0.126 0.000 0.289 1558 N C -1.956 173.475 175.510 -0.132 0.000 1.027 1558 N CA -1.893 51.128 53.050 -0.047 0.000 0.864 1558 N CB 3.467 41.976 38.487 0.038 0.000 1.370 1558 N HN 0.042 nan 8.380 nan 0.000 0.481 1559 P HA -0.087 nan 4.420 nan 0.000 0.216 1559 P C 1.022 178.332 177.300 0.016 0.000 1.153 1559 P CA 1.686 64.599 63.100 -0.312 0.000 0.858 1559 P CB 0.291 31.480 31.700 -0.853 0.000 0.789 1560 T N -0.945 113.736 114.554 0.211 0.000 2.777 1560 T HA -0.084 4.191 4.350 -0.126 0.000 0.266 1560 T C 1.844 176.617 174.700 0.123 0.000 1.040 1560 T CA 1.224 63.510 62.100 0.310 0.000 1.141 1560 T CB -1.019 68.095 68.868 0.410 0.000 0.868 1560 T HN -0.096 nan 8.240 nan 0.000 0.444 1561 V N 1.575 121.542 119.914 0.089 0.000 2.358 1561 V HA -0.143 3.901 4.120 -0.126 0.000 0.246 1561 V C 2.453 178.591 176.094 0.073 0.000 1.047 1561 V CA 1.602 63.952 62.300 0.083 0.000 1.035 1561 V CB -0.628 31.222 31.823 0.045 0.000 0.658 1561 V HN 0.520 nan 8.190 nan 0.000 0.452 1562 E N -0.464 119.738 120.200 0.004 0.000 2.153 1562 E HA -0.243 4.031 4.350 -0.126 0.000 0.194 1562 E C 2.340 178.890 176.600 -0.084 0.000 0.988 1562 E CA 0.889 57.270 56.400 -0.032 0.000 0.811 1562 E CB -0.141 29.543 29.700 -0.028 0.000 0.746 1562 E HN 0.504 nan 8.360 nan 0.000 0.466 1563 Q N -0.113 119.596 119.800 -0.152 0.000 2.124 1563 Q HA -0.168 4.096 4.340 -0.126 0.000 0.202 1563 Q C 1.934 177.875 176.000 -0.098 0.000 0.977 1563 Q CA 1.154 56.802 55.803 -0.258 0.000 0.850 1563 Q CB -0.117 28.280 28.738 -0.569 0.000 0.901 1563 Q HN 0.347 nan 8.270 nan 0.000 0.429 1564 F N 1.378 121.250 119.950 -0.131 0.000 2.163 1564 F HA -0.119 4.331 4.527 -0.129 0.000 0.297 1564 F C 1.947 177.707 175.800 -0.067 0.000 1.094 1564 F CA 1.211 59.160 58.000 -0.085 0.000 1.290 1564 F CB 0.144 39.114 39.000 -0.050 0.000 1.017 1564 F HN 0.072 nan 8.300 nan 0.000 0.483 1565 E N 0.256 120.372 120.200 -0.141 0.000 2.085 1565 E HA -0.255 4.019 4.350 -0.126 0.000 0.194 1565 E C 1.971 178.435 176.600 -0.226 0.000 0.994 1565 E CA 1.795 58.069 56.400 -0.209 0.000 0.801 1565 E CB -0.244 29.414 29.700 -0.069 0.000 0.743 1565 E HN 0.594 nan 8.360 nan 0.000 0.453 1566 E N 0.095 120.190 120.200 -0.175 0.000 2.208 1566 E HA -0.119 4.155 4.350 -0.126 0.000 0.193 1566 E C 1.989 178.486 176.600 -0.170 0.000 0.988 1566 E CA 0.714 57.025 56.400 -0.148 0.000 0.828 1566 E CB 0.035 29.660 29.700 -0.125 0.000 0.763 1566 E HN 0.268 nan 8.360 nan 0.000 0.478 1567 M N -0.019 119.446 119.600 -0.226 0.000 2.132 1567 M HA -0.140 4.264 4.480 -0.126 0.000 0.263 1567 M C 2.249 178.394 176.300 -0.259 0.000 1.065 1567 M CA 1.065 56.233 55.300 -0.221 0.000 1.122 1567 M CB 0.047 32.518 32.600 -0.215 0.000 1.365 1567 M HN 0.030 nan 8.290 nan 0.000 0.411 1568 V N -0.745 118.934 119.914 -0.392 0.000 2.453 1568 V HA -0.267 3.777 4.120 -0.126 0.000 0.247 1568 V C 2.377 178.369 176.094 -0.170 0.000 1.048 1568 V CA 1.530 63.637 62.300 -0.321 0.000 1.049 1568 V CB -0.622 30.942 31.823 -0.432 0.000 0.672 1568 V HN 0.662 nan 8.190 nan 0.000 0.457 1569 C N 1.072 120.280 119.300 -0.153 0.000 2.411 1569 C HA -0.151 4.233 4.460 -0.126 0.000 0.279 1569 C C 3.312 178.260 174.990 -0.071 0.000 1.288 1569 C CA 1.551 60.517 59.018 -0.087 0.000 1.764 1569 C CB -1.080 26.612 27.740 -0.079 0.000 1.974 1569 C HN 0.778 nan 8.230 nan 0.000 0.498 1570 S N 0.453 116.101 115.700 -0.087 0.000 2.357 1570 S HA -0.144 4.250 4.470 -0.126 0.000 0.221 1570 S C 1.770 176.335 174.600 -0.059 0.000 1.031 1570 S CA 1.377 59.537 58.200 -0.067 0.000 0.982 1570 S CB -0.772 62.387 63.200 -0.069 0.000 0.853 1570 S HN 0.549 nan 8.310 nan 0.000 0.458 1571 I N 2.313 122.838 120.570 -0.076 0.000 2.315 1571 I HA -0.041 4.053 4.170 -0.126 0.000 0.248 1571 I C 2.262 178.352 176.117 -0.046 0.000 1.117 1571 I CA 1.426 62.685 61.300 -0.069 0.000 1.404 1571 I CB -0.467 37.474 38.000 -0.097 0.000 1.071 1571 I HN 0.206 nan 8.210 nan 0.000 0.419 1572 E N 0.854 121.033 120.200 -0.035 0.000 2.208 1572 E HA 0.032 4.307 4.350 -0.126 0.000 0.193 1572 E C 1.525 178.122 176.600 -0.005 0.000 0.988 1572 E CA 0.912 57.312 56.400 -0.001 0.000 0.828 1572 E CB -0.356 29.357 29.700 0.023 0.000 0.763 1572 E HN 0.583 nan 8.360 nan 0.000 0.478 1573 G N 1.504 110.294 108.800 -0.017 0.000 2.248 1573 G HA2 -0.206 3.678 3.960 -0.126 0.000 0.263 1573 G HA3 -0.206 3.678 3.960 -0.126 0.000 0.263 1573 G C 0.194 175.088 174.900 -0.009 0.000 1.082 1573 G CA 0.333 45.424 45.100 -0.015 0.000 0.863 1573 G HN 0.496 nan 8.290 nan 0.000 0.495 1574 A N -0.741 122.073 122.820 -0.009 0.000 2.256 1574 A HA 0.983 5.227 4.320 -0.126 0.000 0.318 1574 A C 1.481 179.064 177.584 -0.002 0.000 1.103 1574 A CA 0.441 52.478 52.037 0.001 0.000 0.860 1574 A CB 0.957 19.962 19.000 0.009 0.000 1.182 1574 A HN 1.682 nan 8.150 nan 0.000 0.501 1575 A N -0.487 122.338 122.820 0.008 0.000 2.016 1575 A HA 0.496 4.741 4.320 -0.126 0.000 0.217 1575 A C 1.077 178.664 177.584 0.006 0.000 1.162 1575 A CA 1.456 53.497 52.037 0.008 0.000 0.662 1575 A CB -0.390 18.621 19.000 0.018 0.000 0.812 1575 A HN 2.127 nan 8.150 nan 0.000 0.450 1576 G N -2.370 106.438 108.800 0.014 0.000 2.547 1576 G HA2 0.497 4.381 3.960 -0.126 0.000 0.291 1576 G HA3 0.497 4.381 3.960 -0.126 0.000 0.291 1576 G C -1.301 173.612 174.900 0.021 0.000 1.471 1576 G CA 0.003 45.109 45.100 0.010 0.000 0.798 1576 G HN 0.262 nan 8.290 nan 0.000 0.504 1577 S N -1.174 114.528 115.700 0.003 0.000 2.549 1577 S HA 0.865 5.259 4.470 -0.126 0.000 0.280 1577 S C -0.313 174.289 174.600 0.004 0.000 1.109 1577 S CA -0.145 58.064 58.200 0.016 0.000 0.905 1577 S CB 1.876 65.054 63.200 -0.035 0.000 1.081 1577 S HN 1.658 nan 8.310 nan 0.000 0.477 1578 A N 1.518 124.359 122.820 0.034 0.000 2.330 1578 A HA 0.859 5.104 4.320 -0.126 0.000 0.313 1578 A C -0.213 177.247 177.584 -0.206 0.000 1.124 1578 A CA -0.676 51.290 52.037 -0.117 0.000 0.774 1578 A CB 0.896 19.807 19.000 -0.150 0.000 1.198 1578 A HN 1.031 nan 8.150 nan 0.000 0.465 1579 A N 1.722 124.399 122.820 -0.238 0.000 2.304 1579 A HA 0.871 5.115 4.320 -0.126 0.000 0.301 1579 A C -0.732 176.594 177.584 -0.429 0.000 1.132 1579 A CA -0.107 51.886 52.037 -0.073 0.000 0.819 1579 A CB 0.135 19.233 19.000 0.164 0.000 1.094 1579 A HN 0.749 nan 8.150 nan 0.000 0.492 1580 F N -0.556 119.476 119.950 0.137 0.000 2.675 1580 F HA 0.545 4.995 4.527 -0.128 0.000 0.324 1580 F C 1.496 177.336 175.800 0.066 0.000 1.106 1580 F CA -0.031 58.028 58.000 0.098 0.000 0.970 1580 F CB 1.777 40.842 39.000 0.108 0.000 1.385 1580 F HN 0.601 nan 8.300 nan 0.000 0.489 1581 G N -0.429 108.529 108.800 0.263 0.000 2.534 1581 G HA2 0.265 4.149 3.960 -0.126 0.000 0.217 1581 G HA3 0.265 4.149 3.960 -0.126 0.000 0.217 1581 G C -0.111 174.862 174.900 0.122 0.000 1.128 1581 G CA 0.882 46.066 45.100 0.140 0.000 0.784 1581 G HN 0.620 nan 8.290 nan 0.000 0.542 1582 S N -3.191 112.605 115.700 0.160 0.000 2.588 1582 S HA 0.533 4.928 4.470 -0.126 0.000 0.269 1582 S C 1.027 175.694 174.600 0.112 0.000 1.157 1582 S CA 0.193 58.457 58.200 0.107 0.000 0.824 1582 S CB 1.155 64.398 63.200 0.071 0.000 1.126 1582 S HN 0.341 nan 8.310 nan 0.000 0.464 1583 G N 0.800 109.650 108.800 0.083 0.000 2.442 1583 G HA2 -0.120 3.764 3.960 -0.126 0.000 0.219 1583 G HA3 -0.120 3.764 3.960 -0.126 0.000 0.219 1583 G C 1.120 176.038 174.900 0.029 0.000 1.141 1583 G CA 0.997 46.141 45.100 0.073 0.000 0.763 1583 G HN 0.557 nan 8.290 nan 0.000 0.554 1584 M N 1.167 120.787 119.600 0.033 0.000 2.229 1584 M HA 0.035 4.439 4.480 -0.126 0.000 0.264 1584 M C 2.768 179.030 176.300 -0.062 0.000 1.063 1584 M CA 1.022 56.328 55.300 0.009 0.000 1.114 1584 M CB -1.555 31.072 32.600 0.044 0.000 1.387 1584 M HN 0.267 nan 8.290 nan 0.000 0.420 1585 G N -0.174 108.586 108.800 -0.065 0.000 2.422 1585 G HA2 -0.054 3.830 3.960 -0.126 0.000 0.218 1585 G HA3 -0.054 3.830 3.960 -0.126 0.000 0.218 1585 G C 1.664 176.178 174.900 -0.644 0.000 1.146 1585 G CA 1.111 46.118 45.100 -0.155 0.000 0.769 1585 G HN 0.535 nan 8.290 nan 0.000 0.547 1586 A N 0.647 123.085 122.820 -0.637 0.000 1.897 1586 A HA 0.138 4.382 4.320 -0.126 0.000 0.215 1586 A C 2.384 179.752 177.584 -0.361 0.000 1.181 1586 A CA 1.103 52.648 52.037 -0.819 0.000 0.620 1586 A CB -0.304 18.598 19.000 -0.163 0.000 0.821 1586 A HN 0.349 nan 8.150 nan 0.000 0.443 1587 I N 0.713 121.198 120.570 -0.142 0.000 2.142 1587 I HA -0.266 3.828 4.170 -0.126 0.000 0.240 1587 I C 2.917 179.008 176.117 -0.043 0.000 1.078 1587 I CA 1.773 63.071 61.300 -0.005 0.000 1.343 1587 I CB -0.266 37.734 38.000 -0.000 0.000 1.046 1587 I HN 0.498 nan 8.210 nan 0.000 0.405 1588 S N -0.546 115.096 115.700 -0.097 0.000 2.423 1588 S HA -0.100 4.295 4.470 -0.126 0.000 0.231 1588 S C 1.964 176.457 174.600 -0.178 0.000 1.014 1588 S CA 1.310 59.473 58.200 -0.061 0.000 0.965 1588 S CB -0.372 62.821 63.200 -0.011 0.000 0.785 1588 S HN 0.315 nan 8.310 nan 0.000 0.495 1589 S N 1.429 116.983 115.700 -0.244 0.000 2.461 1589 S HA 0.144 4.538 4.470 -0.126 0.000 0.228 1589 S C 1.772 176.225 174.600 -0.244 0.000 1.005 1589 S CA 0.723 58.713 58.200 -0.350 0.000 0.942 1589 S CB -0.210 62.903 63.200 -0.144 0.000 0.776 1589 S HN 0.617 nan 8.310 nan 0.000 0.514 1590 S N 0.925 116.587 115.700 -0.062 0.000 2.558 1590 S HA 0.021 4.415 4.470 -0.126 0.000 0.217 1590 S C 1.883 176.642 174.600 0.265 0.000 0.975 1590 S CA 0.900 59.206 58.200 0.177 0.000 0.912 1590 S CB 0.064 63.373 63.200 0.182 0.000 0.776 1590 S HN 0.817 nan 8.310 nan 0.000 0.526 1591 T N -0.405 114.212 114.554 0.104 0.000 3.182 1591 T HA 0.283 4.558 4.350 -0.126 0.000 0.244 1591 T C 1.494 176.201 174.700 0.012 0.000 0.981 1591 T CA -0.164 62.011 62.100 0.125 0.000 1.182 1591 T CB -0.646 68.291 68.868 0.115 0.000 1.043 1591 T HN 0.190 nan 8.240 nan 0.000 0.424 1592 L N 1.597 122.714 121.223 -0.176 0.000 2.622 1592 L HA 0.321 4.585 4.340 -0.126 0.000 0.233 1592 L C 2.809 179.387 176.870 -0.487 0.000 1.156 1592 L CA 0.565 55.255 54.840 -0.250 0.000 0.866 1592 L CB -0.420 41.539 42.059 -0.166 0.000 0.980 1592 L HN 0.458 nan 8.230 nan 0.000 0.448 1593 A N -0.797 121.584 122.820 -0.732 0.000 2.123 1593 A HA 0.025 4.269 4.320 -0.126 0.000 0.214 1593 A C 1.692 178.867 177.584 -0.681 0.000 1.152 1593 A CA 0.982 52.554 52.037 -0.774 0.000 0.728 1593 A CB -0.194 18.229 19.000 -0.962 0.000 0.814 1593 A HN 0.379 nan 8.150 nan 0.000 0.464 1594 F N -0.978 118.926 119.950 -0.077 0.000 2.577 1594 F HA 0.354 4.805 4.527 -0.126 0.000 0.276 1594 F C 0.491 176.280 175.800 -0.019 0.000 1.032 1594 F CA -0.427 57.561 58.000 -0.020 0.000 1.297 1594 F CB -0.079 38.912 39.000 -0.014 0.000 1.061 1594 F HN -0.150 nan 8.300 nan 0.000 0.680 1595 L N 3.038 124.347 121.223 0.144 0.000 2.410 1595 L HA 0.226 4.490 4.340 -0.126 0.000 0.273 1595 L C -0.014 176.886 176.870 0.051 0.000 1.152 1595 L CA -0.050 54.834 54.840 0.072 0.000 0.855 1595 L CB 0.405 42.485 42.059 0.035 0.000 1.129 1595 L HN 0.280 nan 8.230 nan 0.000 0.463 1596 Q N 2.864 122.696 119.800 0.053 0.000 2.668 1596 Q HA 0.412 4.676 4.340 -0.126 0.000 0.298 1596 Q C -0.831 175.206 176.000 0.061 0.000 1.071 1596 Q CA -1.203 54.631 55.803 0.052 0.000 0.789 1596 Q CB 1.656 30.422 28.738 0.046 0.000 1.497 1596 Q HN 0.339 nan 8.270 nan 0.000 0.460 1597 K N -0.423 120.018 120.400 0.067 0.000 2.504 1597 K HA 0.065 4.309 4.320 -0.126 0.000 0.278 1597 K C 0.496 177.124 176.600 0.048 0.000 1.025 1597 K CA 1.758 58.086 56.287 0.068 0.000 1.093 1597 K CB -0.555 31.985 32.500 0.065 0.000 0.873 1597 K HN 0.919 nan 8.250 nan 0.000 0.483 1598 G N 3.189 112.014 108.800 0.042 0.000 2.194 1598 G HA2 -0.193 3.691 3.960 -0.126 0.000 0.236 1598 G HA3 -0.193 3.691 3.960 -0.126 0.000 0.236 1598 G C -0.303 174.613 174.900 0.027 0.000 0.987 1598 G CA 0.170 45.287 45.100 0.029 0.000 0.635 1598 G HN 0.708 nan 8.290 nan 0.000 0.520 1599 D N -0.082 120.337 120.400 0.031 0.000 2.354 1599 D HA 0.577 5.141 4.640 -0.126 0.000 0.247 1599 D C 0.121 176.442 176.300 0.036 0.000 1.138 1599 D CA 0.082 54.095 54.000 0.022 0.000 0.958 1599 D CB 1.064 41.871 40.800 0.012 0.000 1.144 1599 D HN 0.365 nan 8.370 nan 0.000 0.458 1600 H N -0.116 118.881 119.070 -0.122 0.000 2.538 1600 H HA 0.541 5.022 4.556 -0.126 0.000 0.353 1600 H C -1.621 173.574 175.328 -0.221 0.000 1.109 1600 H CA -0.898 55.048 56.048 -0.170 0.000 1.192 1600 H CB 0.964 30.602 29.762 -0.206 0.000 1.555 1600 H HN 0.150 nan 8.280 nan 0.000 0.518 1601 L N 6.170 126.935 121.223 -0.764 0.000 2.356 1601 L HA 0.525 4.789 4.340 -0.126 0.000 0.277 1601 L C -1.537 174.870 176.870 -0.771 0.000 0.996 1601 L CA -0.389 54.057 54.840 -0.657 0.000 0.822 1601 L CB 0.983 42.752 42.059 -0.482 0.000 1.256 1601 L HN 0.698 nan 8.230 nan 0.000 0.413 1602 I N 5.437 125.671 120.570 -0.559 0.000 2.321 1602 I HA 0.699 4.793 4.170 -0.126 0.000 0.291 1602 I C 0.113 176.132 176.117 -0.163 0.000 0.998 1602 I CA -0.229 60.883 61.300 -0.313 0.000 1.227 1602 I CB 1.407 39.302 38.000 -0.175 0.000 1.368 1602 I HN 0.825 nan 8.210 nan 0.000 0.466 1603 A N 4.632 127.391 122.820 -0.102 0.000 2.413 1603 A HA 0.817 5.061 4.320 -0.126 0.000 0.307 1603 A C 0.086 177.730 177.584 0.100 0.000 1.087 1603 A CA -0.654 51.406 52.037 0.038 0.000 0.750 1603 A CB 1.240 20.245 19.000 0.008 0.000 1.296 1603 A HN 0.743 nan 8.150 nan 0.000 0.423 1604 G N 0.221 109.117 108.800 0.160 0.000 2.491 1604 G HA2 0.320 4.204 3.960 -0.126 0.000 0.238 1604 G HA3 0.320 4.204 3.960 -0.126 0.000 0.238 1604 G C 0.364 175.341 174.900 0.128 0.000 1.277 1604 G CA 0.535 45.711 45.100 0.126 0.000 0.851 1604 G HN 0.867 nan 8.290 nan 0.000 0.573 1605 D N -0.261 120.193 120.400 0.090 0.000 2.219 1605 D HA -0.065 4.500 4.640 -0.126 0.000 0.205 1605 D C 1.053 177.404 176.300 0.084 0.000 0.970 1605 D CA 1.036 55.083 54.000 0.079 0.000 0.851 1605 D CB -0.228 40.605 40.800 0.055 0.000 0.943 1605 D HN 0.231 nan 8.370 nan 0.000 0.488 1606 T N 0.751 115.354 114.554 0.082 0.000 2.753 1606 T HA 0.588 4.862 4.350 -0.126 0.000 0.297 1606 T C -0.098 174.667 174.700 0.109 0.000 0.981 1606 T CA -0.619 61.526 62.100 0.076 0.000 0.956 1606 T CB 0.797 69.688 68.868 0.039 0.000 0.936 1606 T HN 0.051 nan 8.240 nan 0.000 0.463 1607 L N 1.721 123.033 121.223 0.149 0.000 2.403 1607 L HA 0.548 4.812 4.340 -0.126 0.000 0.253 1607 L C -0.643 176.363 176.870 0.227 0.000 1.045 1607 L CA -1.704 53.243 54.840 0.178 0.000 0.845 1607 L CB 1.388 43.556 42.059 0.183 0.000 1.447 1607 L HN 0.509 nan 8.230 nan 0.000 0.411 1608 Y N 0.562 120.905 120.300 0.073 0.000 2.597 1608 Y HA 0.135 4.610 4.550 -0.124 0.000 0.336 1608 Y C 1.234 177.028 175.900 -0.177 0.000 1.216 1608 Y CA 0.399 58.492 58.100 -0.012 0.000 1.463 1608 Y CB 1.293 39.754 38.460 0.001 0.000 1.303 1608 Y HN 0.685 nan 8.280 nan 0.000 0.576 1609 G N 3.120 111.228 108.800 -1.153 0.000 2.556 1609 G HA2 -0.343 3.541 3.960 -0.126 0.000 0.220 1609 G HA3 -0.343 3.541 3.960 -0.126 0.000 0.220 1609 G C 1.379 175.793 174.900 -0.810 0.000 1.156 1609 G CA 1.346 45.853 45.100 -0.987 0.000 0.766 1609 G HN 0.808 nan 8.290 nan 0.000 0.583 1610 C N 0.402 118.990 119.300 -1.186 0.000 2.468 1610 C HA 0.118 4.502 4.460 -0.126 0.000 0.277 1610 C C 3.105 177.862 174.990 -0.389 0.000 1.400 1610 C CA 1.147 59.825 59.018 -0.568 0.000 1.770 1610 C CB -0.852 26.694 27.740 -0.324 0.000 1.905 1610 C HN 0.461 nan 8.230 nan 0.000 0.519 1611 T N 1.019 115.316 114.554 -0.429 0.000 2.904 1611 T HA -0.088 4.186 4.350 -0.126 0.000 0.267 1611 T C 1.862 176.175 174.700 -0.645 0.000 1.059 1611 T CA 1.182 62.965 62.100 -0.528 0.000 1.137 1611 T CB -0.165 68.510 68.868 -0.322 0.000 0.879 1611 T HN 0.384 nan 8.240 nan 0.000 0.467 1612 V N 1.291 120.994 119.914 -0.351 0.000 2.358 1612 V HA -0.131 3.913 4.120 -0.126 0.000 0.246 1612 V C 2.720 178.730 176.094 -0.141 0.000 1.047 1612 V CA 1.754 63.950 62.300 -0.173 0.000 1.035 1612 V CB -0.799 30.961 31.823 -0.105 0.000 0.658 1612 V HN 0.478 nan 8.190 nan 0.000 0.452 1613 S N -0.089 115.502 115.700 -0.182 0.000 2.368 1613 S HA -0.191 4.203 4.470 -0.126 0.000 0.225 1613 S C 1.947 176.558 174.600 0.019 0.000 1.030 1613 S CA 1.940 60.081 58.200 -0.099 0.000 0.999 1613 S CB -0.321 62.812 63.200 -0.110 0.000 0.844 1613 S HN 0.437 nan 8.310 nan 0.000 0.459 1614 L N 0.677 121.885 121.223 -0.026 0.000 2.017 1614 L HA 0.122 4.386 4.340 -0.126 0.000 0.208 1614 L C 1.973 178.965 176.870 0.202 0.000 1.073 1614 L CA 1.940 56.849 54.840 0.115 0.000 0.745 1614 L CB -0.798 41.173 42.059 -0.146 0.000 0.894 1614 L HN 0.477 nan 8.230 nan 0.000 0.432 1615 F N -1.322 118.630 119.950 0.003 0.000 2.325 1615 F HA -0.130 4.320 4.527 -0.127 0.000 0.299 1615 F C 2.013 177.791 175.800 -0.037 0.000 1.090 1615 F CA 0.861 58.840 58.000 -0.037 0.000 1.392 1615 F CB -0.319 38.627 39.000 -0.090 0.000 1.053 1615 F HN 0.108 nan 8.300 nan 0.000 0.521 1616 T N -2.595 112.041 114.554 0.137 0.000 3.031 1616 T HA -0.084 4.191 4.350 -0.126 0.000 0.254 1616 T C 1.605 176.292 174.700 -0.023 0.000 1.060 1616 T CA 0.707 62.833 62.100 0.043 0.000 1.135 1616 T CB -0.146 68.734 68.868 0.019 0.000 0.896 1616 T HN 0.364 nan 8.240 nan 0.000 0.472 1617 H N -1.095 117.865 119.070 -0.184 0.000 2.368 1617 H HA 0.061 4.541 4.556 -0.126 0.000 0.311 1617 H C 1.726 176.773 175.328 -0.468 0.000 1.042 1617 H CA 0.680 56.482 56.048 -0.410 0.000 1.377 1617 H CB 0.127 29.502 29.762 -0.646 0.000 1.473 1617 H HN 0.362 nan 8.280 nan 0.000 0.593 1618 W N 1.034 122.269 121.300 -0.109 0.000 2.480 1618 W HA -0.009 4.575 4.660 -0.127 0.000 0.299 1618 W C 2.548 178.794 176.519 -0.455 0.000 1.187 1618 W CA -0.212 56.947 57.345 -0.311 0.000 1.347 1618 W CB -0.153 29.282 29.460 -0.042 0.000 1.121 1618 W HN 0.092 nan 8.180 nan 0.000 0.533 1619 L N 0.487 121.782 121.223 0.119 0.000 2.012 1619 L HA -0.162 4.102 4.340 -0.126 0.000 0.210 1619 L C -0.555 176.313 176.870 -0.003 0.000 1.073 1619 L CA 1.983 56.912 54.840 0.148 0.000 0.748 1619 L CB -2.543 39.629 42.059 0.188 0.000 0.891 1619 L HN -0.059 nan 8.230 nan 0.000 0.431 1620 P HA -0.070 nan 4.420 nan 0.000 0.229 1620 P C 1.453 178.650 177.300 -0.172 0.000 1.160 1620 P CA 0.954 63.992 63.100 -0.104 0.000 0.777 1620 P CB -0.077 31.555 31.700 -0.114 0.000 0.814 1621 R N -1.330 118.963 120.500 -0.345 0.000 2.189 1621 R HA 0.051 4.315 4.340 -0.126 0.000 0.218 1621 R C 1.267 177.420 176.300 -0.246 0.000 1.074 1621 R CA 0.952 56.815 56.100 -0.395 0.000 0.991 1621 R CB -0.469 29.475 30.300 -0.595 0.000 0.883 1621 R HN 0.285 nan 8.270 nan 0.000 0.457 1622 F N -0.536 119.445 119.950 0.051 0.000 2.660 1622 F HA 0.257 4.708 4.527 -0.127 0.000 0.302 1622 F C 1.285 177.105 175.800 0.032 0.000 1.103 1622 F CA -0.049 57.983 58.000 0.054 0.000 1.340 1622 F CB 0.921 39.965 39.000 0.075 0.000 1.048 1622 F HN 0.115 nan 8.300 nan 0.000 0.551 1623 G N 1.756 110.634 108.800 0.130 0.000 2.160 1623 G HA2 -0.306 3.579 3.960 -0.126 0.000 0.244 1623 G HA3 -0.306 3.579 3.960 -0.126 0.000 0.244 1623 G C -0.138 174.807 174.900 0.074 0.000 1.022 1623 G CA -0.331 44.817 45.100 0.081 0.000 0.741 1623 G HN 0.366 nan 8.290 nan 0.000 0.508 1624 I N 1.063 121.679 120.570 0.078 0.000 2.330 1624 I HA 0.294 4.389 4.170 -0.126 0.000 0.289 1624 I C 0.429 176.556 176.117 0.017 0.000 1.001 1624 I CA -0.693 60.638 61.300 0.051 0.000 1.193 1624 I CB 1.170 39.210 38.000 0.066 0.000 1.345 1624 I HN 0.120 nan 8.210 nan 0.000 0.461 1625 E N 5.696 125.916 120.200 0.033 0.000 2.324 1625 E HA 0.323 4.597 4.350 -0.126 0.000 0.271 1625 E C -0.964 175.647 176.600 0.019 0.000 1.028 1625 E CA -0.292 56.150 56.400 0.069 0.000 0.890 1625 E CB 1.508 31.300 29.700 0.155 0.000 1.004 1625 E HN 0.267 nan 8.360 nan 0.000 0.431 1626 V N 4.038 123.943 119.914 -0.016 0.000 2.531 1626 V HA 0.232 4.277 4.120 -0.126 0.000 0.301 1626 V C -0.550 175.524 176.094 -0.032 0.000 1.034 1626 V CA -0.846 61.386 62.300 -0.112 0.000 0.865 1626 V CB 1.932 33.688 31.823 -0.111 0.000 0.995 1626 V HN 0.655 nan 8.190 nan 0.000 0.424 1627 D N 4.441 124.807 120.400 -0.057 0.000 2.502 1627 D HA 0.523 5.088 4.640 -0.126 0.000 0.249 1627 D C -0.743 175.550 176.300 -0.013 0.000 1.092 1627 D CA -0.256 53.755 54.000 0.019 0.000 0.839 1627 D CB 2.695 43.566 40.800 0.118 0.000 1.264 1627 D HN 0.341 nan 8.370 nan 0.000 0.511 1628 L N 4.010 125.246 121.223 0.021 0.000 2.265 1628 L HA 0.522 4.786 4.340 -0.126 0.000 0.289 1628 L C 0.373 177.270 176.870 0.045 0.000 1.033 1628 L CA -0.673 54.191 54.840 0.040 0.000 0.814 1628 L CB 0.558 42.653 42.059 0.061 0.000 1.203 1628 L HN 0.298 nan 8.230 nan 0.000 0.423 1629 I N -1.352 119.247 120.570 0.049 0.000 3.206 1629 I HA 0.550 4.644 4.170 -0.126 0.000 0.313 1629 I C -0.589 175.560 176.117 0.054 0.000 1.103 1629 I CA -0.976 60.354 61.300 0.051 0.000 0.985 1629 I CB 2.012 40.047 38.000 0.058 0.000 1.240 1629 I HN 0.313 nan 8.210 nan 0.000 0.464 1630 D N 1.615 122.044 120.400 0.048 0.000 2.359 1630 D HA 0.165 4.730 4.640 -0.126 0.000 0.250 1630 D C 0.979 177.308 176.300 0.049 0.000 1.264 1630 D CA 0.031 54.057 54.000 0.044 0.000 0.911 1630 D CB 0.755 41.575 40.800 0.033 0.000 1.056 1630 D HN 0.724 nan 8.370 nan 0.000 0.499 1631 T N -0.410 114.176 114.554 0.054 0.000 3.148 1631 T HA -0.071 4.203 4.350 -0.126 0.000 0.253 1631 T C 1.770 176.498 174.700 0.047 0.000 1.134 1631 T CA 0.419 62.553 62.100 0.056 0.000 1.051 1631 T CB -0.198 68.705 68.868 0.059 0.000 0.959 1631 T HN 0.278 nan 8.240 nan 0.000 0.525 1632 S N 0.517 116.242 115.700 0.042 0.000 2.453 1632 S HA -0.023 4.371 4.470 -0.126 0.000 0.231 1632 S C 0.616 175.233 174.600 0.029 0.000 1.005 1632 S CA 0.145 58.367 58.200 0.037 0.000 0.949 1632 S CB -0.322 62.896 63.200 0.029 0.000 0.774 1632 S HN 0.473 nan 8.310 nan 0.000 0.510 1633 D N 1.057 121.475 120.400 0.029 0.000 2.329 1633 D HA 0.277 4.841 4.640 -0.126 0.000 0.232 1633 D C 0.738 177.058 176.300 0.034 0.000 1.088 1633 D CA -0.365 53.651 54.000 0.026 0.000 0.835 1633 D CB 1.842 42.656 40.800 0.023 0.000 1.078 1633 D HN -0.021 nan 8.370 nan 0.000 0.495 1634 V N 4.631 124.561 119.914 0.028 0.000 2.667 1634 V HA -0.122 3.923 4.120 -0.126 0.000 0.252 1634 V C 1.669 177.780 176.094 0.028 0.000 1.065 1634 V CA 1.494 63.811 62.300 0.029 0.000 1.083 1634 V CB -0.081 31.751 31.823 0.015 0.000 0.692 1634 V HN 0.476 nan 8.190 nan 0.000 0.468 1635 E N 0.046 120.259 120.200 0.023 0.000 2.208 1635 E HA -0.163 4.111 4.350 -0.126 0.000 0.193 1635 E C 2.124 178.748 176.600 0.040 0.000 0.988 1635 E CA 0.830 57.242 56.400 0.021 0.000 0.828 1635 E CB -0.180 29.528 29.700 0.013 0.000 0.763 1635 E HN 0.611 nan 8.360 nan 0.000 0.478 1636 K N 0.497 120.925 120.400 0.047 0.000 2.217 1636 K HA -0.021 4.223 4.320 -0.126 0.000 0.202 1636 K C 2.113 178.770 176.600 0.095 0.000 1.051 1636 K CA 0.607 56.931 56.287 0.061 0.000 0.952 1636 K CB 0.129 32.660 32.500 0.052 0.000 0.736 1636 K HN -0.052 nan 8.250 nan 0.000 0.453 1637 V N 1.847 121.826 119.914 0.108 0.000 2.427 1637 V HA -0.215 3.829 4.120 -0.126 0.000 0.248 1637 V C 2.000 178.244 176.094 0.249 0.000 1.051 1637 V CA 1.583 63.991 62.300 0.180 0.000 1.048 1637 V CB -0.361 31.564 31.823 0.169 0.000 0.666 1637 V HN 0.259 nan 8.190 nan 0.000 0.456 1638 K N 0.436 120.917 120.400 0.135 0.000 2.097 1638 K HA -0.064 4.181 4.320 -0.126 0.000 0.205 1638 K C 2.261 178.951 176.600 0.150 0.000 1.050 1638 K CA 1.425 57.767 56.287 0.091 0.000 0.938 1638 K CB -0.303 32.194 32.500 -0.004 0.000 0.718 1638 K HN 0.483 nan 8.250 nan 0.000 0.442 1639 A N 1.244 124.138 122.820 0.124 0.000 1.970 1639 A HA 0.037 4.281 4.320 -0.126 0.000 0.216 1639 A C 2.234 179.897 177.584 0.133 0.000 1.170 1639 A CA 1.369 53.470 52.037 0.106 0.000 0.645 1639 A CB -0.290 18.752 19.000 0.069 0.000 0.816 1639 A HN 0.284 nan 8.150 nan 0.000 0.447 1640 A N -1.836 121.084 122.820 0.167 0.000 2.167 1640 A HA 0.043 4.287 4.320 -0.126 0.000 0.214 1640 A C 0.918 178.619 177.584 0.194 0.000 1.151 1640 A CA -0.272 51.861 52.037 0.159 0.000 0.735 1640 A CB -0.413 18.680 19.000 0.155 0.000 0.802 1640 A HN 0.674 nan 8.150 nan 0.000 0.467 1641 W N 1.755 123.090 121.300 0.058 0.000 2.223 1641 W HA 0.244 4.827 4.660 -0.128 0.000 0.334 1641 W C -0.352 176.166 176.519 -0.001 0.000 1.334 1641 W CA 0.676 58.056 57.345 0.059 0.000 1.246 1641 W CB 0.406 29.889 29.460 0.039 0.000 1.184 1641 W HN 0.109 nan 8.180 nan 0.000 0.563 1642 K N 4.884 125.201 120.400 -0.140 0.000 2.400 1642 K HA 0.251 4.495 4.320 -0.126 0.000 0.246 1642 K C -1.792 174.792 176.600 -0.027 0.000 0.995 1642 K CA -1.636 54.581 56.287 -0.116 0.000 0.840 1642 K CB 1.884 34.162 32.500 -0.370 0.000 1.293 1642 K HN 0.030 nan 8.250 nan 0.000 0.445 1643 P HA -0.157 nan 4.420 nan 0.000 0.221 1643 P C 0.301 177.619 177.300 0.030 0.000 1.145 1643 P CA 1.301 64.441 63.100 0.067 0.000 0.795 1643 P CB 0.097 31.819 31.700 0.037 0.000 0.775 1644 N N -2.181 116.496 118.700 -0.037 0.000 2.251 1644 N HA 0.015 4.679 4.740 -0.126 0.000 0.217 1644 N C -0.557 174.920 175.510 -0.054 0.000 1.124 1644 N CA 0.114 53.148 53.050 -0.027 0.000 0.843 1644 N CB -0.968 37.507 38.487 -0.020 0.000 1.024 1644 N HN -0.131 nan 8.380 nan 0.000 0.501 1645 T N 1.341 115.790 114.554 -0.175 0.000 2.769 1645 T HA 0.169 4.444 4.350 -0.126 0.000 0.293 1645 T C 0.964 175.512 174.700 -0.253 0.000 0.931 1645 T CA -0.194 61.682 62.100 -0.373 0.000 1.139 1645 T CB 1.431 69.586 68.868 -1.187 0.000 0.881 1645 T HN 0.099 nan 8.240 nan 0.000 0.532 1646 K N 2.229 122.515 120.400 -0.190 0.000 2.399 1646 K HA 0.318 4.563 4.320 -0.126 0.000 0.196 1646 K C 0.290 176.835 176.600 -0.092 0.000 1.103 1646 K CA 0.214 56.452 56.287 -0.082 0.000 0.986 1646 K CB 0.776 33.257 32.500 -0.032 0.000 0.952 1646 K HN 0.549 nan 8.250 nan 0.000 0.541 1647 M N 0.850 120.346 119.600 -0.172 0.000 2.413 1647 M HA 0.258 4.662 4.480 -0.126 0.000 0.287 1647 M C -1.880 174.322 176.300 -0.164 0.000 1.186 1647 M CA -0.637 54.585 55.300 -0.130 0.000 0.927 1647 M CB 2.448 34.985 32.600 -0.106 0.000 1.715 1647 M HN -0.322 nan 8.290 nan 0.000 0.478 1648 V N 4.131 124.011 119.914 -0.056 0.000 2.409 1648 V HA 0.383 4.427 4.120 -0.126 0.000 0.291 1648 V C -1.410 174.702 176.094 0.030 0.000 1.020 1648 V CA -0.538 61.750 62.300 -0.020 0.000 0.848 1648 V CB 1.567 33.435 31.823 0.075 0.000 0.990 1648 V HN 0.766 nan 8.190 nan 0.000 0.430 1649 Y N 5.943 126.187 120.300 -0.093 0.000 2.328 1649 Y HA 0.715 5.191 4.550 -0.124 0.000 0.337 1649 Y C -0.584 175.337 175.900 0.035 0.000 1.008 1649 Y CA -0.388 57.699 58.100 -0.021 0.000 1.129 1649 Y CB 1.105 39.550 38.460 -0.025 0.000 1.185 1649 Y HN 0.520 nan 8.280 nan 0.000 0.476 1650 L N 5.150 126.127 121.223 -0.409 0.000 2.323 1650 L HA 0.569 4.833 4.340 -0.126 0.000 0.265 1650 L C -1.047 175.624 176.870 -0.332 0.000 1.012 1650 L CA -0.963 53.737 54.840 -0.234 0.000 0.820 1650 L CB 2.356 44.335 42.059 -0.133 0.000 1.334 1650 L HN 0.608 nan 8.230 nan 0.000 0.427 1651 E N 1.326 121.457 120.200 -0.115 0.000 2.378 1651 E HA 0.327 4.601 4.350 -0.126 0.000 0.282 1651 E C -1.805 174.767 176.600 -0.047 0.000 0.910 1651 E CA -0.096 56.256 56.400 -0.079 0.000 0.816 1651 E CB 1.825 31.531 29.700 0.009 0.000 1.359 1651 E HN 0.400 nan 8.360 nan 0.000 0.397 1652 S N 4.776 120.454 115.700 -0.037 0.000 2.677 1652 S HA 0.538 4.932 4.470 -0.126 0.000 0.283 1652 S C -2.785 171.839 174.600 0.041 0.000 1.159 1652 S CA -1.307 56.895 58.200 0.004 0.000 1.001 1652 S CB 1.291 64.503 63.200 0.019 0.000 1.032 1652 S HN 0.302 nan 8.310 nan 0.000 0.487 1653 P HA 0.334 nan 4.420 nan 0.000 0.271 1653 P C -0.990 176.219 177.300 -0.153 0.000 1.218 1653 P CA -0.272 62.843 63.100 0.025 0.000 0.780 1653 P CB 0.529 32.279 31.700 0.083 0.000 0.901 1654 A N 2.443 125.172 122.820 -0.152 0.000 2.340 1654 A HA 0.268 4.512 4.320 -0.126 0.000 0.268 1654 A C 0.345 177.634 177.584 -0.491 0.000 1.100 1654 A CA -0.351 51.538 52.037 -0.246 0.000 0.803 1654 A CB -0.107 18.855 19.000 -0.065 0.000 1.043 1654 A HN 0.539 nan 8.150 nan 0.000 0.488 1655 N N 1.633 120.012 118.700 -0.536 0.000 2.430 1655 N HA 0.301 4.966 4.740 -0.126 0.000 0.265 1655 N C -2.156 173.332 175.510 -0.036 0.000 1.100 1655 N CA -1.773 51.066 53.050 -0.353 0.000 0.961 1655 N CB 1.376 39.827 38.487 -0.060 0.000 1.075 1655 N HN 0.283 nan 8.380 nan 0.000 0.478 1656 P HA 0.130 nan 4.420 nan 0.000 0.281 1656 P C 0.767 178.099 177.300 0.054 0.000 1.291 1656 P CA 0.297 63.414 63.100 0.027 0.000 0.906 1656 P CB 0.155 31.847 31.700 -0.013 0.000 1.388 1657 T N -4.074 110.483 114.554 0.005 0.000 3.113 1657 T HA -0.040 4.234 4.350 -0.126 0.000 0.263 1657 T C 0.994 175.804 174.700 0.184 0.000 1.143 1657 T CA 0.401 62.557 62.100 0.094 0.000 1.090 1657 T CB -1.687 67.224 68.868 0.071 0.000 0.922 1657 T HN 0.054 nan 8.240 nan 0.000 0.521 1658 C N 0.593 119.956 119.300 0.105 0.000 4.397 1658 C HA -0.114 4.270 4.460 -0.126 0.000 0.291 1658 C C 0.546 175.680 174.990 0.241 0.000 1.408 1658 C CA 0.084 59.156 59.018 0.090 0.000 1.971 1658 C CB -2.655 25.059 27.740 -0.044 0.000 1.258 1658 C HN 0.669 nan 8.230 nan 0.000 0.795 1659 K N 1.017 121.553 120.400 0.226 0.000 2.419 1659 K HA 0.369 4.614 4.320 -0.126 0.000 0.282 1659 K C 0.050 176.758 176.600 0.181 0.000 1.056 1659 K CA 0.323 56.753 56.287 0.238 0.000 1.035 1659 K CB 0.435 33.007 32.500 0.119 0.000 0.921 1659 K HN 0.335 nan 8.250 nan 0.000 0.472 1660 V N 3.729 123.790 119.914 0.244 0.000 2.546 1660 V HA 0.256 4.300 4.120 -0.126 0.000 0.284 1660 V C -0.053 176.104 176.094 0.105 0.000 1.050 1660 V CA -0.503 61.901 62.300 0.175 0.000 0.981 1660 V CB 1.530 33.492 31.823 0.233 0.000 0.990 1660 V HN 0.757 nan 8.190 nan 0.000 0.474 1661 S N 2.183 117.926 115.700 0.072 0.000 2.503 1661 S HA 0.293 4.687 4.470 -0.126 0.000 0.301 1661 S C -0.421 174.202 174.600 0.039 0.000 1.087 1661 S CA -0.595 57.635 58.200 0.050 0.000 1.042 1661 S CB 1.501 64.724 63.200 0.038 0.000 1.043 1661 S HN 0.855 nan 8.310 nan 0.000 0.489 1662 D N 2.230 122.651 120.400 0.034 0.000 2.398 1662 D HA 0.131 4.695 4.640 -0.126 0.000 0.250 1662 D C 0.911 177.221 176.300 0.016 0.000 1.287 1662 D CA -0.032 53.982 54.000 0.024 0.000 0.992 1662 D CB -0.115 40.697 40.800 0.020 0.000 1.071 1662 D HN 0.453 nan 8.370 nan 0.000 0.514 1663 I N 2.906 123.482 120.570 0.010 0.000 2.163 1663 I HA -0.211 3.884 4.170 -0.126 0.000 0.240 1663 I C 2.459 178.575 176.117 -0.002 0.000 1.081 1663 I CA 0.753 62.053 61.300 0.001 0.000 1.353 1663 I CB -0.070 37.925 38.000 -0.007 0.000 1.054 1663 I HN 0.321 nan 8.210 nan 0.000 0.407 1664 K N 0.998 121.395 120.400 -0.005 0.000 2.148 1664 K HA -0.130 4.114 4.320 -0.126 0.000 0.204 1664 K C 2.108 178.701 176.600 -0.011 0.000 1.050 1664 K CA 1.391 57.671 56.287 -0.012 0.000 0.942 1664 K CB -0.269 32.222 32.500 -0.016 0.000 0.724 1664 K HN 0.409 nan 8.250 nan 0.000 0.446 1665 G N 1.265 110.062 108.800 -0.005 0.000 2.404 1665 G HA2 -0.215 3.669 3.960 -0.126 0.000 0.215 1665 G HA3 -0.215 3.669 3.960 -0.126 0.000 0.215 1665 G C 1.467 176.364 174.900 -0.004 0.000 1.174 1665 G CA 0.745 45.842 45.100 -0.006 0.000 0.780 1665 G HN 0.224 nan 8.290 nan 0.000 0.537 1666 I N 1.452 122.028 120.570 0.011 0.000 2.315 1666 I HA -0.123 3.971 4.170 -0.126 0.000 0.248 1666 I C 3.263 179.398 176.117 0.030 0.000 1.117 1666 I CA 0.812 62.129 61.300 0.029 0.000 1.404 1666 I CB -0.168 37.861 38.000 0.049 0.000 1.071 1666 I HN 0.232 nan 8.210 nan 0.000 0.419 1667 A N 0.519 123.350 122.820 0.018 0.000 1.940 1667 A HA -0.166 4.078 4.320 -0.126 0.000 0.219 1667 A C 2.452 180.052 177.584 0.026 0.000 1.176 1667 A CA 1.800 53.850 52.037 0.022 0.000 0.631 1667 A CB -0.961 18.039 19.000 -0.001 0.000 0.814 1667 A HN 0.245 nan 8.150 nan 0.000 0.446 1668 V N -0.356 119.557 119.914 -0.001 0.000 2.295 1668 V HA -0.244 3.801 4.120 -0.126 0.000 0.246 1668 V C 2.585 178.671 176.094 -0.014 0.000 1.049 1668 V CA 2.051 64.349 62.300 -0.005 0.000 1.024 1668 V CB -0.754 31.053 31.823 -0.027 0.000 0.648 1668 V HN 0.394 nan 8.190 nan 0.000 0.447 1669 V N -1.065 118.811 119.914 -0.064 0.000 2.343 1669 V HA -0.292 3.752 4.120 -0.126 0.000 0.247 1669 V C 2.506 178.473 176.094 -0.212 0.000 1.051 1669 V CA 2.204 64.390 62.300 -0.189 0.000 1.036 1669 V CB -0.830 30.857 31.823 -0.226 0.000 0.654 1669 V HN 0.645 nan 8.190 nan 0.000 0.451 1670 C N -0.772 118.518 119.300 -0.018 0.000 2.446 1670 C HA -0.165 4.219 4.460 -0.126 0.000 0.277 1670 C C 2.692 177.740 174.990 0.097 0.000 1.275 1670 C CA 1.173 60.267 59.018 0.126 0.000 1.727 1670 C CB -1.351 26.488 27.740 0.166 0.000 2.010 1670 C HN 0.680 nan 8.230 nan 0.000 0.486 1671 H N 0.955 120.018 119.070 -0.011 0.000 2.389 1671 H HA -0.078 4.403 4.556 -0.126 0.000 0.299 1671 H C 2.000 177.312 175.328 -0.026 0.000 1.081 1671 H CA 1.588 57.629 56.048 -0.012 0.000 1.345 1671 H CB -0.054 29.696 29.762 -0.020 0.000 1.393 1671 H HN 0.576 nan 8.280 nan 0.000 0.520 1672 E N 0.166 120.355 120.200 -0.018 0.000 2.152 1672 E HA -0.083 4.191 4.350 -0.126 0.000 0.192 1672 E C 1.894 178.422 176.600 -0.121 0.000 0.983 1672 E CA 0.540 56.892 56.400 -0.080 0.000 0.818 1672 E CB 0.202 29.859 29.700 -0.071 0.000 0.758 1672 E HN 0.413 nan 8.360 nan 0.000 0.467 1673 R N -0.458 119.967 120.500 -0.126 0.000 2.362 1673 R HA 0.158 4.422 4.340 -0.126 0.000 0.227 1673 R C 0.331 176.697 176.300 0.110 0.000 0.905 1673 R CA 0.396 56.463 56.100 -0.055 0.000 1.067 1673 R CB 1.082 31.220 30.300 -0.270 0.000 1.078 1673 R HN 0.113 nan 8.270 nan 0.000 0.516 1674 G N 1.378 110.202 108.800 0.040 0.000 2.368 1674 G HA2 -0.179 3.705 3.960 -0.126 0.000 0.290 1674 G HA3 -0.179 3.705 3.960 -0.126 0.000 0.290 1674 G C -0.352 174.619 174.900 0.119 0.000 1.098 1674 G CA 0.158 45.282 45.100 0.040 0.000 1.073 1674 G HN 0.469 nan 8.290 nan 0.000 0.511 1675 A N 0.584 123.495 122.820 0.151 0.000 2.475 1675 A HA 0.897 5.141 4.320 -0.126 0.000 0.301 1675 A C 0.214 177.842 177.584 0.073 0.000 1.059 1675 A CA -0.761 51.365 52.037 0.148 0.000 0.710 1675 A CB 1.258 20.447 19.000 0.316 0.000 1.288 1675 A HN 0.565 nan 8.150 nan 0.000 0.408 1676 R N 0.194 120.685 120.500 -0.014 0.000 2.441 1676 R HA 0.408 4.673 4.340 -0.126 0.000 0.284 1676 R C -1.075 175.203 176.300 -0.038 0.000 1.070 1676 R CA -0.466 55.587 56.100 -0.078 0.000 1.047 1676 R CB 0.914 31.072 30.300 -0.238 0.000 1.016 1676 R HN 0.531 nan 8.270 nan 0.000 0.477 1677 L N 3.842 125.044 121.223 -0.034 0.000 2.280 1677 L HA 0.337 4.601 4.340 -0.126 0.000 0.287 1677 L C -1.123 175.711 176.870 -0.060 0.000 1.023 1677 L CA -0.431 54.395 54.840 -0.024 0.000 0.819 1677 L CB 1.798 43.856 42.059 -0.001 0.000 1.212 1677 L HN 0.274 nan 8.230 nan 0.000 0.420 1678 V N 5.869 125.743 119.914 -0.066 0.000 2.417 1678 V HA 0.573 4.617 4.120 -0.126 0.000 0.291 1678 V C -0.437 175.494 176.094 -0.271 0.000 1.024 1678 V CA -0.678 61.566 62.300 -0.094 0.000 0.861 1678 V CB 1.786 33.648 31.823 0.066 0.000 0.985 1678 V HN 0.484 nan 8.190 nan 0.000 0.436 1679 V N 3.329 123.095 119.914 -0.247 0.000 2.487 1679 V HA 0.390 4.434 4.120 -0.126 0.000 0.298 1679 V C -0.457 175.461 176.094 -0.294 0.000 1.028 1679 V CA -0.591 61.534 62.300 -0.292 0.000 0.860 1679 V CB 1.991 33.717 31.823 -0.162 0.000 0.991 1679 V HN 0.868 nan 8.190 nan 0.000 0.427 1680 D N 4.209 124.405 120.400 -0.341 0.000 2.365 1680 D HA 0.417 4.981 4.640 -0.126 0.000 0.237 1680 D C 0.479 176.706 176.300 -0.121 0.000 1.190 1680 D CA -0.113 53.776 54.000 -0.185 0.000 0.867 1680 D CB 1.770 42.534 40.800 -0.059 0.000 1.050 1680 D HN 0.667 nan 8.370 nan 0.000 0.491 1681 A N 3.219 125.919 122.820 -0.199 0.000 2.610 1681 A HA 0.132 4.376 4.320 -0.126 0.000 0.286 1681 A C 1.750 179.455 177.584 0.202 0.000 1.306 1681 A CA -0.273 51.735 52.037 -0.049 0.000 0.942 1681 A CB 0.012 18.970 19.000 -0.070 0.000 1.112 1681 A HN 0.512 nan 8.150 nan 0.000 0.527 1682 T N -0.205 114.495 114.554 0.244 0.000 2.684 1682 T HA -0.165 4.109 4.350 -0.126 0.000 0.267 1682 T C 1.333 176.325 174.700 0.487 0.000 1.036 1682 T CA 1.714 64.068 62.100 0.423 0.000 1.148 1682 T CB -0.406 68.658 68.868 0.327 0.000 0.863 1682 T HN 0.477 nan 8.240 nan 0.000 0.436 1683 F N 1.602 121.670 119.950 0.196 0.000 2.333 1683 F HA -0.044 4.405 4.527 -0.130 0.000 0.300 1683 F C 2.440 178.293 175.800 0.088 0.000 1.083 1683 F CA 0.827 58.948 58.000 0.202 0.000 1.395 1683 F CB -0.491 38.590 39.000 0.135 0.000 1.056 1683 F HN 0.183 nan 8.300 nan 0.000 0.529 1684 T N -2.245 112.434 114.554 0.209 0.000 2.964 1684 T HA 0.173 4.447 4.350 -0.126 0.000 0.249 1684 T C 0.398 175.097 174.700 -0.002 0.000 1.000 1684 T CA 0.606 62.760 62.100 0.090 0.000 0.992 1684 T CB -0.124 68.840 68.868 0.160 0.000 1.087 1684 T HN 0.238 nan 8.240 nan 0.000 0.489 1685 S N 1.600 117.339 115.700 0.065 0.000 3.493 1685 S HA -0.075 4.319 4.470 -0.126 0.000 0.825 1685 S C -2.582 171.989 174.600 -0.047 0.000 1.181 1685 S CA -0.094 58.075 58.200 -0.052 0.000 1.045 1685 S CB -1.206 61.859 63.200 -0.225 0.000 0.630 1685 S HN 0.184 nan 8.310 nan 0.000 0.345 1686 P HA 0.130 nan 4.420 nan 0.000 0.234 1686 P C 1.471 178.684 177.300 -0.145 0.000 1.167 1686 P CA 1.016 64.071 63.100 -0.076 0.000 0.763 1686 P CB -0.592 31.034 31.700 -0.123 0.000 0.835 1687 C N -1.717 117.402 119.300 -0.301 0.000 2.440 1687 C HA 0.014 4.398 4.460 -0.126 0.000 0.278 1687 C C 2.389 177.136 174.990 -0.404 0.000 1.295 1687 C CA 0.759 59.491 59.018 -0.477 0.000 1.738 1687 C CB -1.801 25.422 27.740 -0.862 0.000 1.987 1687 C HN 0.201 nan 8.230 nan 0.000 0.492 1688 F N -1.738 118.171 119.950 -0.068 0.000 2.680 1688 F HA 0.351 5.052 4.527 0.291 0.000 0.290 1688 F C 0.434 176.191 175.800 -0.072 0.000 1.114 1688 F CA -0.382 57.563 58.000 -0.091 0.000 1.333 1688 F CB 0.281 39.201 39.000 -0.133 0.000 1.091 1688 F HN -0.050 nan 8.300 nan 0.000 0.606 1689 L N 1.574 122.872 121.223 0.125 0.000 2.343 1689 L HA 0.412 4.676 4.340 -0.126 0.000 0.278 1689 L C -0.873 176.040 176.870 0.072 0.000 0.996 1689 L CA -0.540 54.352 54.840 0.086 0.000 0.831 1689 L CB 1.195 43.311 42.059 0.095 0.000 1.232 1689 L HN -0.074 nan 8.230 nan 0.000 0.413 1690 K N 6.629 127.055 120.400 0.042 0.000 2.499 1690 K HA 0.376 4.620 4.320 -0.126 0.000 0.215 1690 K C -1.989 174.620 176.600 0.016 0.000 1.041 1690 K CA -1.431 54.876 56.287 0.033 0.000 1.031 1690 K CB 1.148 33.658 32.500 0.016 0.000 1.479 1690 K HN 0.339 nan 8.250 nan 0.000 0.518 1691 P HA -0.170 nan 4.420 nan 0.000 0.216 1691 P C 0.847 178.139 177.300 -0.014 0.000 1.150 1691 P CA 1.049 64.142 63.100 -0.012 0.000 0.837 1691 P CB 0.224 31.903 31.700 -0.035 0.000 0.786 1692 L N -0.563 120.656 121.223 -0.007 0.000 2.265 1692 L HA -0.143 4.122 4.340 -0.126 0.000 0.215 1692 L C 1.873 178.735 176.870 -0.012 0.000 1.117 1692 L CA 1.396 56.231 54.840 -0.009 0.000 0.782 1692 L CB -0.838 41.220 42.059 -0.001 0.000 0.914 1692 L HN 0.073 nan 8.230 nan 0.000 0.441 1693 E N -0.249 119.944 120.200 -0.011 0.000 2.479 1693 E HA 0.042 4.317 4.350 -0.126 0.000 0.193 1693 E C 1.603 178.191 176.600 -0.019 0.000 1.049 1693 E CA 0.113 56.504 56.400 -0.014 0.000 0.870 1693 E CB 0.322 30.016 29.700 -0.010 0.000 0.944 1693 E HN 0.502 nan 8.360 nan 0.000 0.492 1694 L N -0.689 120.523 121.223 -0.018 0.000 2.640 1694 L HA 0.294 4.558 4.340 -0.126 0.000 0.230 1694 L C 1.187 178.041 176.870 -0.027 0.000 1.123 1694 L CA 0.215 55.042 54.840 -0.021 0.000 0.900 1694 L CB 0.621 42.671 42.059 -0.016 0.000 1.146 1694 L HN 0.256 nan 8.230 nan 0.000 0.484 1695 G N 0.081 108.863 108.800 -0.030 0.000 2.179 1695 G HA2 -0.201 3.684 3.960 -0.126 0.000 0.220 1695 G HA3 -0.201 3.684 3.960 -0.126 0.000 0.220 1695 G C 0.368 175.256 174.900 -0.021 0.000 0.990 1695 G CA -0.125 44.953 45.100 -0.037 0.000 0.646 1695 G HN 0.411 nan 8.290 nan 0.000 0.517 1696 A N 0.075 122.882 122.820 -0.020 0.000 2.386 1696 A HA 0.590 4.834 4.320 -0.126 0.000 0.248 1696 A C 1.126 178.696 177.584 -0.022 0.000 1.082 1696 A CA 0.762 52.786 52.037 -0.023 0.000 0.789 1696 A CB 0.385 19.364 19.000 -0.035 0.000 1.025 1696 A HN 0.172 nan 8.150 nan 0.000 0.490 1697 D N 0.195 120.575 120.400 -0.033 0.000 2.201 1697 D HA 0.141 4.706 4.640 -0.126 0.000 0.209 1697 D C 0.026 176.300 176.300 -0.045 0.000 0.961 1697 D CA 1.345 55.318 54.000 -0.045 0.000 0.861 1697 D CB 0.234 40.984 40.800 -0.083 0.000 0.997 1697 D HN 0.498 nan 8.370 nan 0.000 0.486 1698 I N 0.442 120.983 120.570 -0.048 0.000 2.533 1698 I HA 0.409 4.504 4.170 -0.126 0.000 0.290 1698 I C -0.949 175.152 176.117 -0.026 0.000 1.056 1698 I CA -0.801 60.490 61.300 -0.015 0.000 1.057 1698 I CB 2.471 40.471 38.000 -0.001 0.000 1.240 1698 I HN -0.214 nan 8.210 nan 0.000 0.423 1699 A N 6.997 129.811 122.820 -0.009 0.000 2.319 1699 A HA 0.886 5.130 4.320 -0.126 0.000 0.310 1699 A C -1.015 176.532 177.584 -0.061 0.000 1.152 1699 A CA -0.436 51.566 52.037 -0.058 0.000 0.783 1699 A CB 0.978 19.959 19.000 -0.032 0.000 1.184 1699 A HN 0.612 nan 8.150 nan 0.000 0.474 1700 L N 0.002 121.122 121.223 -0.171 0.000 2.309 1700 L HA 0.857 5.121 4.340 -0.126 0.000 0.261 1700 L C -0.582 176.070 176.870 -0.363 0.000 1.021 1700 L CA -0.508 54.269 54.840 -0.105 0.000 0.823 1700 L CB 1.620 43.700 42.059 0.036 0.000 1.366 1700 L HN 0.631 nan 8.230 nan 0.000 0.423 1701 H N -0.416 118.733 119.070 0.132 0.000 2.961 1701 H HA 0.355 4.833 4.556 -0.130 0.000 0.371 1701 H C -1.161 174.250 175.328 0.139 0.000 1.190 1701 H CA -0.757 55.372 56.048 0.135 0.000 1.138 1701 H CB 2.324 32.169 29.762 0.137 0.000 1.816 1701 H HN 0.761 nan 8.280 nan 0.000 0.551 1702 S N 1.799 117.643 115.700 0.239 0.000 2.485 1702 S HA 0.122 4.516 4.470 -0.126 0.000 0.312 1702 S C 1.315 176.014 174.600 0.166 0.000 1.102 1702 S CA -0.591 57.702 58.200 0.154 0.000 1.066 1702 S CB -0.359 62.873 63.200 0.054 0.000 1.102 1702 S HN 0.415 nan 8.310 nan 0.000 0.519 1703 V N 5.212 125.237 119.914 0.186 0.000 2.568 1703 V HA -0.151 3.893 4.120 -0.126 0.000 0.253 1703 V C 2.409 178.548 176.094 0.074 0.000 1.072 1703 V CA 2.112 64.510 62.300 0.164 0.000 1.084 1703 V CB -1.047 30.894 31.823 0.197 0.000 0.676 1703 V HN 0.885 nan 8.190 nan 0.000 0.469 1704 S N -0.363 115.362 115.700 0.042 0.000 2.441 1704 S HA -0.214 4.180 4.470 -0.126 0.000 0.242 1704 S C 1.568 176.145 174.600 -0.039 0.000 1.018 1704 S CA 1.294 59.492 58.200 -0.003 0.000 0.988 1704 S CB -0.206 62.985 63.200 -0.015 0.000 0.778 1704 S HN 0.591 nan 8.310 nan 0.000 0.498 1705 K N 0.695 121.070 120.400 -0.042 0.000 3.502 1705 K HA 0.261 4.505 4.320 -0.126 0.000 0.163 1705 K C 1.620 178.123 176.600 -0.163 0.000 1.142 1705 K CA 0.328 56.518 56.287 -0.161 0.000 1.539 1705 K CB -1.126 31.277 32.500 -0.162 0.000 2.125 1705 K HN 0.261 nan 8.250 nan 0.000 0.491 1706 Y N 1.467 121.736 120.300 -0.052 0.000 2.163 1706 Y HA -0.055 4.440 4.550 -0.092 0.000 0.288 1706 Y C 2.472 178.360 175.900 -0.020 0.000 1.136 1706 Y CA 0.992 59.051 58.100 -0.069 0.000 1.147 1706 Y CB -0.474 37.924 38.460 -0.103 0.000 0.987 1706 Y HN 0.128 nan 8.280 nan 0.000 0.509 1707 I N 0.086 120.740 120.570 0.141 0.000 2.118 1707 I HA -0.385 3.709 4.170 -0.126 0.000 0.241 1707 I C 2.228 178.424 176.117 0.131 0.000 1.070 1707 I CA 2.093 63.456 61.300 0.104 0.000 1.327 1707 I CB -0.453 37.613 38.000 0.109 0.000 1.034 1707 I HN 0.287 nan 8.210 nan 0.000 0.405 1708 N N 0.414 119.179 118.700 0.108 0.000 2.109 1708 N HA -0.093 4.571 4.740 -0.126 0.000 0.188 1708 N C 1.495 177.118 175.510 0.188 0.000 1.034 1708 N CA 1.953 55.063 53.050 0.101 0.000 0.846 1708 N CB -0.049 38.459 38.487 0.033 0.000 1.010 1708 N HN 0.387 nan 8.380 nan 0.000 0.425 1709 G N -1.449 107.404 108.800 0.087 0.000 2.212 1709 G HA2 -0.315 3.569 3.960 -0.126 0.000 0.266 1709 G HA3 -0.315 3.569 3.960 -0.126 0.000 0.266 1709 G C 0.506 175.320 174.900 -0.143 0.000 0.978 1709 G CA 1.044 46.142 45.100 -0.003 0.000 0.632 1709 G HN 0.615 nan 8.290 nan 0.000 0.537 1710 H N -0.399 118.663 119.070 -0.014 0.000 2.755 1710 H HA 0.446 4.929 4.556 -0.123 0.000 0.273 1710 H C 1.930 177.244 175.328 -0.023 0.000 1.055 1710 H CA 0.670 56.710 56.048 -0.014 0.000 1.191 1710 H CB 0.571 30.323 29.762 -0.016 0.000 1.536 1710 H HN 1.170 nan 8.280 nan 0.000 0.529 1711 G N 1.931 110.756 108.800 0.042 0.000 2.283 1711 G HA2 -0.322 3.562 3.960 -0.126 0.000 0.280 1711 G HA3 -0.322 3.562 3.960 -0.126 0.000 0.280 1711 G C 0.308 175.219 174.900 0.019 0.000 1.029 1711 G CA 0.928 46.031 45.100 0.004 0.000 0.840 1711 G HN 0.627 nan 8.290 nan 0.000 0.505 1712 D N -1.871 118.549 120.400 0.032 0.000 2.520 1712 D HA 0.375 4.939 4.640 -0.126 0.000 0.223 1712 D C 0.541 176.845 176.300 0.007 0.000 1.186 1712 D CA 0.340 54.353 54.000 0.022 0.000 0.821 1712 D CB 0.542 41.361 40.800 0.031 0.000 1.072 1712 D HN 1.113 nan 8.370 nan 0.000 0.518 1713 V N 0.184 120.097 119.914 -0.001 0.000 2.851 1713 V HA 0.460 4.505 4.120 -0.126 0.000 0.307 1713 V C -1.735 174.351 176.094 -0.013 0.000 1.129 1713 V CA -1.036 61.256 62.300 -0.013 0.000 0.932 1713 V CB 2.111 33.912 31.823 -0.037 0.000 1.024 1713 V HN -0.031 nan 8.190 nan 0.000 0.426 1714 I N 5.783 126.350 120.570 -0.004 0.000 2.342 1714 I HA 0.842 4.937 4.170 -0.126 0.000 0.291 1714 I C 0.816 176.942 176.117 0.016 0.000 1.010 1714 I CA 0.410 61.714 61.300 0.008 0.000 1.308 1714 I CB 0.601 38.611 38.000 0.017 0.000 1.400 1714 I HN 0.989 nan 8.210 nan 0.000 0.488 1715 G N 3.454 112.275 108.800 0.035 0.000 2.646 1715 G HA2 0.694 4.579 3.960 -0.126 0.000 0.291 1715 G HA3 0.694 4.579 3.960 -0.126 0.000 0.291 1715 G C -1.214 173.770 174.900 0.142 0.000 1.445 1715 G CA -0.582 44.560 45.100 0.070 0.000 0.814 1715 G HN 0.834 nan 8.290 nan 0.000 0.495 1716 G N -1.749 107.195 108.800 0.240 0.000 2.619 1716 G HA2 0.795 4.680 3.960 -0.126 0.000 0.296 1716 G HA3 0.795 4.680 3.960 -0.126 0.000 0.296 1716 G C -1.756 173.432 174.900 0.481 0.000 1.334 1716 G CA -0.624 44.667 45.100 0.319 0.000 0.934 1716 G HN 1.497 nan 8.290 nan 0.000 0.476 1717 V N -0.219 119.974 119.914 0.466 0.000 2.888 1717 V HA 0.833 4.877 4.120 -0.126 0.000 0.309 1717 V C -0.897 175.442 176.094 0.408 0.000 1.114 1717 V CA -0.584 61.996 62.300 0.467 0.000 0.940 1717 V CB 2.312 34.349 31.823 0.357 0.000 1.021 1717 V HN 1.006 nan 8.190 nan 0.000 0.426 1718 S N 3.655 119.611 115.700 0.427 0.000 2.594 1718 S HA 0.770 5.164 4.470 -0.126 0.000 0.296 1718 S C -0.799 173.935 174.600 0.224 0.000 1.124 1718 S CA -0.377 58.015 58.200 0.320 0.000 1.011 1718 S CB 1.635 65.073 63.200 0.397 0.000 1.016 1718 S HN 0.872 nan 8.310 nan 0.000 0.485 1719 S N 2.895 118.685 115.700 0.151 0.000 2.473 1719 S HA 0.815 5.209 4.470 -0.126 0.000 0.307 1719 S C -0.427 174.224 174.600 0.086 0.000 1.094 1719 S CA -0.643 57.618 58.200 0.101 0.000 1.070 1719 S CB 1.588 64.832 63.200 0.073 0.000 1.019 1719 S HN 0.959 nan 8.310 nan 0.000 0.480 1720 A N 2.038 124.908 122.820 0.083 0.000 2.340 1720 A HA 0.640 4.885 4.320 -0.126 0.000 0.331 1720 A C 0.909 178.519 177.584 0.043 0.000 1.140 1720 A CA -0.741 51.339 52.037 0.072 0.000 0.801 1720 A CB 1.006 20.074 19.000 0.114 0.000 1.234 1720 A HN 0.803 nan 8.150 nan 0.000 0.469 1721 K N 0.747 121.162 120.400 0.025 0.000 2.057 1721 K HA -0.062 4.182 4.320 -0.126 0.000 0.206 1721 K C 0.930 177.544 176.600 0.022 0.000 1.050 1721 K CA 2.160 58.457 56.287 0.016 0.000 0.935 1721 K CB -0.172 32.331 32.500 0.006 0.000 0.715 1721 K HN 0.847 nan 8.250 nan 0.000 0.439 1722 T N -3.243 111.330 114.554 0.032 0.000 2.945 1722 T HA 0.611 4.886 4.350 -0.126 0.000 0.286 1722 T C 0.995 175.725 174.700 0.050 0.000 1.025 1722 T CA -0.480 61.642 62.100 0.037 0.000 1.039 1722 T CB 1.792 70.684 68.868 0.040 0.000 1.068 1722 T HN 0.094 nan 8.240 nan 0.000 0.497 1723 A N 1.221 124.065 122.820 0.040 0.000 1.969 1723 A HA -0.061 4.183 4.320 -0.126 0.000 0.218 1723 A C 2.251 179.869 177.584 0.057 0.000 1.169 1723 A CA 1.173 53.234 52.037 0.040 0.000 0.635 1723 A CB -0.676 18.337 19.000 0.022 0.000 0.810 1723 A HN 0.941 nan 8.150 nan 0.000 0.445 1724 E N 0.475 120.712 120.200 0.063 0.000 2.106 1724 E HA -0.204 4.070 4.350 -0.126 0.000 0.192 1724 E C 0.901 177.584 176.600 0.138 0.000 0.984 1724 E CA 1.322 57.770 56.400 0.079 0.000 0.806 1724 E CB -0.652 29.090 29.700 0.069 0.000 0.750 1724 E HN 0.496 nan 8.360 nan 0.000 0.458 1725 D N 0.949 121.451 120.400 0.169 0.000 2.117 1725 D HA -0.083 4.482 4.640 -0.126 0.000 0.198 1725 D C 1.964 178.449 176.300 0.307 0.000 0.982 1725 D CA 0.532 54.710 54.000 0.297 0.000 0.828 1725 D CB -0.226 40.690 40.800 0.192 0.000 0.967 1725 D HN 0.143 nan 8.370 nan 0.000 0.464 1726 I N 0.622 121.309 120.570 0.195 0.000 2.439 1726 I HA -0.110 3.984 4.170 -0.126 0.000 0.251 1726 I C 1.992 178.200 176.117 0.151 0.000 1.139 1726 I CA 0.725 62.129 61.300 0.173 0.000 1.438 1726 I CB -0.236 37.833 38.000 0.115 0.000 1.085 1726 I HN -0.086 nan 8.210 nan 0.000 0.427 1727 A N -0.789 122.106 122.820 0.124 0.000 1.933 1727 A HA -0.184 4.061 4.320 -0.126 0.000 0.218 1727 A C 2.314 179.987 177.584 0.147 0.000 1.175 1727 A CA 2.311 54.411 52.037 0.104 0.000 0.628 1727 A CB -1.278 17.757 19.000 0.057 0.000 0.814 1727 A HN 0.449 nan 8.150 nan 0.000 0.444 1728 T N 0.310 114.953 114.554 0.147 0.000 2.777 1728 T HA -0.074 4.200 4.350 -0.126 0.000 0.266 1728 T C 1.800 176.570 174.700 0.117 0.000 1.040 1728 T CA 1.457 63.632 62.100 0.125 0.000 1.141 1728 T CB -0.392 68.485 68.868 0.014 0.000 0.868 1728 T HN 0.416 nan 8.240 nan 0.000 0.444 1729 I N 0.787 121.435 120.570 0.130 0.000 2.179 1729 I HA -0.191 3.903 4.170 -0.126 0.000 0.242 1729 I C 2.546 178.824 176.117 0.269 0.000 1.088 1729 I CA 1.429 62.845 61.300 0.194 0.000 1.357 1729 I CB -0.251 37.929 38.000 0.299 0.000 1.051 1729 I HN 0.174 nan 8.210 nan 0.000 0.409 1730 K N -0.120 120.407 120.400 0.213 0.000 2.211 1730 K HA -0.169 4.075 4.320 -0.126 0.000 0.203 1730 K C 2.065 178.782 176.600 0.195 0.000 1.050 1730 K CA 1.199 57.582 56.287 0.161 0.000 0.945 1730 K CB -0.206 32.354 32.500 0.101 0.000 0.732 1730 K HN 0.177 nan 8.250 nan 0.000 0.451 1731 F N 0.604 120.599 119.950 0.074 0.000 2.186 1731 F HA -0.204 4.247 4.527 -0.127 0.000 0.299 1731 F C 2.064 177.907 175.800 0.071 0.000 1.090 1731 F CA 1.049 59.082 58.000 0.055 0.000 1.307 1731 F CB -0.381 38.641 39.000 0.036 0.000 1.019 1731 F HN 0.010 nan 8.300 nan 0.000 0.489 1732 Y N 0.947 121.172 120.300 -0.125 0.000 2.184 1732 Y HA -0.136 4.339 4.550 -0.126 0.000 0.290 1732 Y C 2.870 178.710 175.900 -0.101 0.000 1.129 1732 Y CA 2.133 60.110 58.100 -0.205 0.000 1.144 1732 Y CB -0.581 37.807 38.460 -0.122 0.000 0.995 1732 Y HN 0.020 nan 8.280 nan 0.000 0.513 1733 R N 1.010 121.623 120.500 0.189 0.000 2.105 1733 R HA -0.236 4.028 4.340 -0.126 0.000 0.239 1733 R C 2.421 178.712 176.300 -0.016 0.000 1.135 1733 R CA 1.971 58.176 56.100 0.175 0.000 0.967 1733 R CB -0.355 30.087 30.300 0.236 0.000 0.861 1733 R HN 0.342 nan 8.270 nan 0.000 0.442 1734 K N -0.141 120.228 120.400 -0.051 0.000 2.113 1734 K HA -0.186 4.058 4.320 -0.126 0.000 0.208 1734 K C 0.798 177.315 176.600 -0.139 0.000 1.047 1734 K CA 2.137 58.388 56.287 -0.060 0.000 0.928 1734 K CB 0.054 32.536 32.500 -0.030 0.000 0.716 1734 K HN 0.243 nan 8.250 nan 0.000 0.446 1735 D N -0.767 119.455 120.400 -0.296 0.000 2.324 1735 D HA 0.056 4.620 4.640 -0.126 0.000 0.212 1735 D C 1.651 177.747 176.300 -0.340 0.000 0.984 1735 D CA 0.862 54.664 54.000 -0.330 0.000 0.885 1735 D CB 0.128 40.656 40.800 -0.454 0.000 0.996 1735 D HN 0.285 nan 8.370 nan 0.000 0.505 1736 A N 0.315 122.858 122.820 -0.462 0.000 1.897 1736 A HA 0.282 4.526 4.320 -0.126 0.000 0.215 1736 A C 1.902 179.395 177.584 -0.151 0.000 1.181 1736 A CA 1.995 53.799 52.037 -0.389 0.000 0.620 1736 A CB -0.463 18.222 19.000 -0.524 0.000 0.821 1736 A HN 0.303 nan 8.150 nan 0.000 0.443 1737 G N -1.455 107.302 108.800 -0.070 0.000 2.157 1737 G HA2 -0.181 3.703 3.960 -0.126 0.000 0.239 1737 G HA3 -0.181 3.703 3.960 -0.126 0.000 0.239 1737 G C 0.424 175.357 174.900 0.055 0.000 0.982 1737 G CA 0.630 45.728 45.100 -0.003 0.000 0.650 1737 G HN 1.183 nan 8.290 nan 0.000 0.527 1738 S N 0.657 116.433 115.700 0.126 0.000 2.494 1738 S HA 0.655 5.049 4.470 -0.126 0.000 0.312 1738 S C 0.432 175.172 174.600 0.232 0.000 1.121 1738 S CA -0.388 57.931 58.200 0.197 0.000 1.068 1738 S CB -0.241 63.113 63.200 0.258 0.000 1.141 1738 S HN 0.487 nan 8.310 nan 0.000 0.527 1739 L N 4.624 125.917 121.223 0.117 0.000 2.346 1739 L HA 0.574 4.838 4.340 -0.126 0.000 0.274 1739 L C 0.177 177.075 176.870 0.048 0.000 1.007 1739 L CA -0.754 54.116 54.840 0.051 0.000 0.818 1739 L CB 1.862 43.930 42.059 0.016 0.000 1.284 1739 L HN 0.513 nan 8.230 nan 0.000 0.424 1740 M N 2.537 122.148 119.600 0.019 0.000 2.188 1740 M HA 0.435 4.839 4.480 -0.126 0.000 0.354 1740 M C 0.214 176.512 176.300 -0.004 0.000 1.342 1740 M CA -0.180 55.125 55.300 0.008 0.000 1.117 1740 M CB 1.028 33.622 32.600 -0.011 0.000 1.670 1740 M HN 0.784 nan 8.290 nan 0.000 0.466 1741 A N 7.109 129.926 122.820 -0.005 0.000 2.445 1741 A HA 0.334 4.578 4.320 -0.126 0.000 0.242 1741 A C -2.026 175.561 177.584 0.006 0.000 1.075 1741 A CA -1.286 50.748 52.037 -0.005 0.000 0.777 1741 A CB -0.390 18.607 19.000 -0.006 0.000 1.013 1741 A HN 0.751 nan 8.150 nan 0.000 0.493 1742 P HA -0.222 nan 4.420 nan 0.000 0.216 1742 P C 1.642 178.989 177.300 0.077 0.000 1.153 1742 P CA 1.818 64.954 63.100 0.060 0.000 0.858 1742 P CB -0.055 31.679 31.700 0.056 0.000 0.789 1743 M N -0.229 119.395 119.600 0.039 0.000 2.117 1743 M HA -0.144 4.260 4.480 -0.126 0.000 0.262 1743 M C 1.254 177.620 176.300 0.110 0.000 1.065 1743 M CA 1.903 57.239 55.300 0.060 0.000 1.114 1743 M CB -1.369 31.233 32.600 0.005 0.000 1.361 1743 M HN -0.252 nan 8.290 nan 0.000 0.408 1744 D N 0.236 120.654 120.400 0.031 0.000 2.117 1744 D HA -0.061 4.503 4.640 -0.126 0.000 0.197 1744 D C 2.012 178.249 176.300 -0.106 0.000 0.987 1744 D CA 1.790 55.773 54.000 -0.028 0.000 0.829 1744 D CB -0.423 40.348 40.800 -0.049 0.000 0.961 1744 D HN 0.514 nan 8.370 nan 0.000 0.460 1745 A N 0.309 123.077 122.820 -0.086 0.000 1.902 1745 A HA -0.171 4.074 4.320 -0.126 0.000 0.217 1745 A C 2.117 179.667 177.584 -0.057 0.000 1.181 1745 A CA 1.091 53.032 52.037 -0.159 0.000 0.623 1745 A CB -1.017 17.973 19.000 -0.016 0.000 0.818 1745 A HN 0.300 nan 8.150 nan 0.000 0.443 1746 F N 0.599 120.515 119.950 -0.057 0.000 2.095 1746 F HA -0.161 4.292 4.527 -0.123 0.000 0.298 1746 F C 1.813 177.578 175.800 -0.058 0.000 1.104 1746 F CA 1.892 59.883 58.000 -0.016 0.000 1.232 1746 F CB -0.282 38.722 39.000 0.006 0.000 0.987 1746 F HN 0.140 nan 8.300 nan 0.000 0.475 1747 L N -0.804 120.344 121.223 -0.126 0.000 2.093 1747 L HA -0.236 4.028 4.340 -0.126 0.000 0.208 1747 L C 2.585 179.292 176.870 -0.271 0.000 1.085 1747 L CA 1.044 55.737 54.840 -0.245 0.000 0.755 1747 L CB -0.880 41.141 42.059 -0.064 0.000 0.904 1747 L HN 0.308 nan 8.230 nan 0.000 0.435 1748 C N -0.500 118.625 119.300 -0.291 0.000 2.466 1748 C HA -0.062 4.322 4.460 -0.126 0.000 0.278 1748 C C 3.134 178.051 174.990 -0.123 0.000 1.288 1748 C CA 0.618 59.434 59.018 -0.337 0.000 1.722 1748 C CB -0.928 26.281 27.740 -0.886 0.000 2.017 1748 C HN 0.606 nan 8.230 nan 0.000 0.488 1749 A N 0.461 123.233 122.820 -0.079 0.000 1.902 1749 A HA -0.225 4.020 4.320 -0.126 0.000 0.217 1749 A C 2.292 179.824 177.584 -0.086 0.000 1.181 1749 A CA 1.759 53.841 52.037 0.076 0.000 0.623 1749 A CB -0.652 18.382 19.000 0.057 0.000 0.818 1749 A HN 0.647 nan 8.150 nan 0.000 0.443 1750 R N -0.656 119.683 120.500 -0.268 0.000 2.081 1750 R HA -0.116 4.148 4.340 -0.126 0.000 0.235 1750 R C 2.267 178.448 176.300 -0.198 0.000 1.131 1750 R CA 1.530 57.439 56.100 -0.319 0.000 0.960 1750 R CB -0.638 29.326 30.300 -0.561 0.000 0.856 1750 R HN 0.477 nan 8.270 nan 0.000 0.436 1751 G N 0.461 109.162 108.800 -0.164 0.000 2.408 1751 G HA2 -0.247 3.638 3.960 -0.126 0.000 0.217 1751 G HA3 -0.247 3.638 3.960 -0.126 0.000 0.217 1751 G C 1.436 176.383 174.900 0.080 0.000 1.150 1751 G CA 0.431 45.523 45.100 -0.014 0.000 0.776 1751 G HN 0.239 nan 8.290 nan 0.000 0.542 1752 M N 0.169 119.805 119.600 0.060 0.000 2.358 1752 M HA -0.016 4.388 4.480 -0.126 0.000 0.264 1752 M C 2.228 178.539 176.300 0.018 0.000 1.064 1752 M CA 0.833 56.171 55.300 0.063 0.000 1.093 1752 M CB -0.019 32.640 32.600 0.097 0.000 1.401 1752 M HN 0.078 nan 8.290 nan 0.000 0.440 1753 K N -0.451 119.947 120.400 -0.004 0.000 2.147 1753 K HA -0.101 4.144 4.320 -0.126 0.000 0.205 1753 K C 1.679 178.281 176.600 0.003 0.000 1.049 1753 K CA 1.857 58.132 56.287 -0.020 0.000 0.936 1753 K CB -0.795 31.677 32.500 -0.047 0.000 0.722 1753 K HN 0.453 nan 8.250 nan 0.000 0.446 1754 T N -1.387 113.188 114.554 0.036 0.000 3.105 1754 T HA 0.116 4.390 4.350 -0.126 0.000 0.253 1754 T C 1.607 176.333 174.700 0.044 0.000 1.047 1754 T CA -0.291 61.837 62.100 0.047 0.000 0.944 1754 T CB 0.046 68.963 68.868 0.082 0.000 1.016 1754 T HN -0.078 nan 8.240 nan 0.000 0.544 1755 L N 2.609 123.852 121.223 0.033 0.000 1.971 1755 L HA 0.095 4.359 4.340 -0.126 0.000 0.215 1755 L C -0.934 175.920 176.870 -0.027 0.000 1.072 1755 L CA 2.119 56.969 54.840 0.017 0.000 0.758 1755 L CB -1.160 40.893 42.059 -0.010 0.000 0.889 1755 L HN 0.115 nan 8.230 nan 0.000 0.433 1756 P HA -0.112 nan 4.420 nan 0.000 0.217 1756 P C 2.044 179.329 177.300 -0.025 0.000 1.150 1756 P CA 1.612 64.660 63.100 -0.086 0.000 0.832 1756 P CB -0.034 31.627 31.700 -0.064 0.000 0.787 1757 I N -0.878 119.693 120.570 0.003 0.000 2.252 1757 I HA -0.210 3.884 4.170 -0.126 0.000 0.245 1757 I C 2.594 178.725 176.117 0.023 0.000 1.102 1757 I CA 1.430 62.741 61.300 0.019 0.000 1.385 1757 I CB -0.396 37.614 38.000 0.017 0.000 1.064 1757 I HN -0.174 nan 8.210 nan 0.000 0.414 1758 R N -0.152 120.364 120.500 0.027 0.000 2.075 1758 R HA -0.117 4.147 4.340 -0.126 0.000 0.232 1758 R C 2.259 178.631 176.300 0.121 0.000 1.126 1758 R CA 1.231 57.344 56.100 0.021 0.000 0.963 1758 R CB -0.229 30.116 30.300 0.075 0.000 0.858 1758 R HN 0.251 nan 8.270 nan 0.000 0.435 1759 M N 0.489 120.184 119.600 0.159 0.000 2.229 1759 M HA -0.151 4.253 4.480 -0.126 0.000 0.264 1759 M C 2.178 178.686 176.300 0.346 0.000 1.063 1759 M CA 1.489 56.920 55.300 0.218 0.000 1.114 1759 M CB -0.804 31.692 32.600 -0.175 0.000 1.387 1759 M HN 0.185 nan 8.290 nan 0.000 0.420 1760 Q N 0.268 120.208 119.800 0.233 0.000 2.050 1760 Q HA -0.167 4.097 4.340 -0.126 0.000 0.202 1760 Q C 2.077 178.172 176.000 0.158 0.000 0.980 1760 Q CA 1.581 57.520 55.803 0.228 0.000 0.840 1760 Q CB -0.119 28.700 28.738 0.135 0.000 0.898 1760 Q HN 0.555 nan 8.270 nan 0.000 0.424 1761 I N -0.269 120.354 120.570 0.088 0.000 2.500 1761 I HA -0.222 3.873 4.170 -0.126 0.000 0.252 1761 I C 1.867 178.020 176.117 0.060 0.000 1.142 1761 I CA 0.658 61.977 61.300 0.032 0.000 1.451 1761 I CB -0.090 37.886 38.000 -0.040 0.000 1.093 1761 I HN 0.307 nan 8.210 nan 0.000 0.430 1762 H N 0.449 119.606 119.070 0.145 0.000 2.267 1762 H HA -0.248 4.219 4.556 -0.148 0.000 0.297 1762 H C 2.199 177.638 175.328 0.186 0.000 1.080 1762 H CA 2.332 58.490 56.048 0.184 0.000 1.278 1762 H CB -0.571 29.331 29.762 0.233 0.000 1.365 1762 H HN 0.405 nan 8.280 nan 0.000 0.489 1763 M N 0.755 120.548 119.600 0.323 0.000 2.073 1763 M HA -0.201 4.204 4.480 -0.126 0.000 0.258 1763 M C 2.020 178.412 176.300 0.153 0.000 1.070 1763 M CA 1.898 57.324 55.300 0.211 0.000 1.103 1763 M CB -0.026 32.617 32.600 0.071 0.000 1.321 1763 M HN 0.232 nan 8.290 nan 0.000 0.405 1764 E N -0.008 120.262 120.200 0.117 0.000 2.106 1764 E HA -0.166 4.108 4.350 -0.126 0.000 0.192 1764 E C 1.706 178.343 176.600 0.063 0.000 0.984 1764 E CA 1.508 57.948 56.400 0.066 0.000 0.806 1764 E CB -0.296 29.434 29.700 0.051 0.000 0.750 1764 E HN 0.703 nan 8.360 nan 0.000 0.458 1765 N N 0.163 118.921 118.700 0.098 0.000 2.084 1765 N HA -0.126 4.538 4.740 -0.126 0.000 0.190 1765 N C 2.091 177.690 175.510 0.149 0.000 1.030 1765 N CA 0.811 53.923 53.050 0.104 0.000 0.849 1765 N CB -0.191 38.363 38.487 0.112 0.000 1.012 1765 N HN 0.114 nan 8.380 nan 0.000 0.423 1766 G N 1.458 110.400 108.800 0.236 0.000 2.442 1766 G HA2 -0.192 3.692 3.960 -0.126 0.000 0.219 1766 G HA3 -0.192 3.692 3.960 -0.126 0.000 0.219 1766 G C 1.560 176.471 174.900 0.018 0.000 1.141 1766 G CA 0.415 45.726 45.100 0.352 0.000 0.763 1766 G HN 0.134 nan 8.290 nan 0.000 0.554 1767 L N -0.247 120.904 121.223 -0.119 0.000 2.027 1767 L HA -0.015 4.249 4.340 -0.126 0.000 0.206 1767 L C 2.993 179.725 176.870 -0.231 0.000 1.074 1767 L CA 1.307 55.922 54.840 -0.375 0.000 0.745 1767 L CB -0.231 41.687 42.059 -0.235 0.000 0.898 1767 L HN 0.153 nan 8.230 nan 0.000 0.433 1768 K N -0.715 119.636 120.400 -0.081 0.000 2.148 1768 K HA -0.120 4.125 4.320 -0.126 0.000 0.204 1768 K C 1.988 178.606 176.600 0.030 0.000 1.050 1768 K CA 0.991 57.261 56.287 -0.028 0.000 0.942 1768 K CB -0.120 32.375 32.500 -0.008 0.000 0.724 1768 K HN 0.110 nan 8.250 nan 0.000 0.446 1769 V N 1.324 121.281 119.914 0.071 0.000 2.307 1769 V HA -0.239 3.806 4.120 -0.126 0.000 0.245 1769 V C 2.343 178.554 176.094 0.196 0.000 1.045 1769 V CA 2.055 64.467 62.300 0.187 0.000 1.024 1769 V CB -0.591 31.405 31.823 0.288 0.000 0.651 1769 V HN 0.346 nan 8.190 nan 0.000 0.449 1770 A N -0.406 122.406 122.820 -0.013 0.000 1.902 1770 A HA -0.248 3.996 4.320 -0.126 0.000 0.217 1770 A C 2.279 179.779 177.584 -0.140 0.000 1.181 1770 A CA 1.988 53.888 52.037 -0.228 0.000 0.623 1770 A CB -0.449 18.044 19.000 -0.845 0.000 0.818 1770 A HN 0.539 nan 8.150 nan 0.000 0.443 1771 K N -1.568 118.753 120.400 -0.132 0.000 2.097 1771 K HA -0.108 4.137 4.320 -0.126 0.000 0.206 1771 K C 1.769 178.377 176.600 0.013 0.000 1.049 1771 K CA 1.528 57.770 56.287 -0.075 0.000 0.933 1771 K CB -0.316 32.140 32.500 -0.074 0.000 0.717 1771 K HN 0.603 nan 8.250 nan 0.000 0.442 1772 F N 1.549 121.462 119.950 -0.061 0.000 2.113 1772 F HA -0.141 4.307 4.527 -0.132 0.000 0.297 1772 F C 1.714 177.506 175.800 -0.015 0.000 1.103 1772 F CA 1.175 59.159 58.000 -0.027 0.000 1.248 1772 F CB -0.080 38.905 39.000 -0.025 0.000 0.999 1772 F HN -0.131 nan 8.300 nan 0.000 0.475 1773 L N 0.264 121.350 121.223 -0.228 0.000 2.141 1773 L HA -0.173 4.092 4.340 -0.126 0.000 0.209 1773 L C 2.487 179.229 176.870 -0.212 0.000 1.094 1773 L CA 1.643 56.269 54.840 -0.357 0.000 0.763 1773 L CB -0.768 41.127 42.059 -0.273 0.000 0.908 1773 L HN 0.266 nan 8.230 nan 0.000 0.437 1774 E N 0.459 120.585 120.200 -0.123 0.000 2.106 1774 E HA -0.269 4.006 4.350 -0.126 0.000 0.192 1774 E C 1.962 178.515 176.600 -0.078 0.000 0.984 1774 E CA 1.308 57.667 56.400 -0.068 0.000 0.806 1774 E CB 0.198 29.864 29.700 -0.056 0.000 0.750 1774 E HN 0.582 nan 8.360 nan 0.000 0.458 1775 Q N -0.685 119.047 119.800 -0.114 0.000 2.425 1775 Q HA 0.021 4.285 4.340 -0.126 0.000 0.204 1775 Q C 0.466 176.378 176.000 -0.147 0.000 0.933 1775 Q CA 0.385 56.125 55.803 -0.106 0.000 0.939 1775 Q CB -0.043 28.650 28.738 -0.076 0.000 1.044 1775 Q HN 0.166 nan 8.270 nan 0.000 0.513 1776 H N 1.951 120.831 119.070 -0.318 0.000 2.652 1776 H HA 0.005 4.485 4.556 -0.126 0.000 0.349 1776 H C 0.708 175.930 175.328 -0.176 0.000 1.099 1776 H CA 0.734 56.584 56.048 -0.331 0.000 1.417 1776 H CB 1.114 30.548 29.762 -0.547 0.000 1.457 1776 H HN 0.576 nan 8.280 nan 0.000 0.568 1777 E N 3.551 123.480 120.200 -0.451 0.000 2.204 1777 E HA -0.157 4.117 4.350 -0.126 0.000 0.195 1777 E C 0.745 177.332 176.600 -0.022 0.000 0.990 1777 E CA 0.914 57.190 56.400 -0.208 0.000 0.821 1777 E CB 0.064 29.612 29.700 -0.254 0.000 0.750 1777 E HN 0.496 nan 8.360 nan 0.000 0.477 1778 K N 0.336 120.834 120.400 0.162 0.000 2.444 1778 K HA 0.147 4.392 4.320 -0.126 0.000 0.193 1778 K C 0.081 176.770 176.600 0.148 0.000 1.024 1778 K CA 0.006 56.398 56.287 0.176 0.000 1.077 1778 K CB 0.492 33.129 32.500 0.228 0.000 0.833 1778 K HN 0.166 nan 8.250 nan 0.000 0.517 1779 I N 1.279 121.927 120.570 0.130 0.000 2.354 1779 I HA 0.053 4.148 4.170 -0.126 0.000 0.292 1779 I C 1.434 177.609 176.117 0.096 0.000 0.989 1779 I CA -0.204 61.166 61.300 0.117 0.000 1.188 1779 I CB 1.539 39.571 38.000 0.055 0.000 1.342 1779 I HN -0.249 nan 8.210 nan 0.000 0.457 1780 V N 5.260 125.246 119.914 0.119 0.000 2.331 1780 V HA 0.029 4.073 4.120 -0.126 0.000 0.242 1780 V C 0.909 177.061 176.094 0.096 0.000 1.034 1780 V CA 1.284 63.639 62.300 0.092 0.000 1.027 1780 V CB -0.154 31.723 31.823 0.090 0.000 0.667 1780 V HN 0.730 nan 8.190 nan 0.000 0.457 1781 K N -0.461 120.022 120.400 0.139 0.000 2.523 1781 K HA 0.593 4.837 4.320 -0.126 0.000 0.257 1781 K C -2.000 174.736 176.600 0.226 0.000 0.932 1781 K CA -0.430 55.947 56.287 0.150 0.000 0.812 1781 K CB 2.726 35.306 32.500 0.132 0.000 1.326 1781 K HN -0.032 nan 8.250 nan 0.000 0.433 1782 V N 3.427 123.473 119.914 0.219 0.000 2.487 1782 V HA 0.322 4.367 4.120 -0.126 0.000 0.298 1782 V C -0.447 175.832 176.094 0.307 0.000 1.028 1782 V CA -0.899 61.575 62.300 0.289 0.000 0.860 1782 V CB 1.637 33.569 31.823 0.182 0.000 0.991 1782 V HN 0.751 nan 8.190 nan 0.000 0.427 1783 N N 3.761 122.684 118.700 0.371 0.000 3.105 1783 N HA 0.206 4.870 4.740 -0.126 0.000 0.256 1783 N C -0.880 174.637 175.510 0.012 0.000 1.174 1783 N CA -0.230 53.030 53.050 0.350 0.000 1.030 1783 N CB 0.270 39.006 38.487 0.416 0.000 1.305 1783 N HN 0.674 nan 8.380 nan 0.000 0.509 1784 H N 2.402 121.278 119.070 -0.323 0.000 2.505 1784 H HA 0.232 4.677 4.556 -0.186 0.000 0.338 1784 H C -1.864 173.002 175.328 -0.769 0.000 1.057 1784 H CA -1.806 53.922 56.048 -0.534 0.000 1.202 1784 H CB 2.287 31.656 29.762 -0.654 0.000 1.466 1784 H HN 0.202 nan 8.280 nan 0.000 0.499 1785 P HA -0.062 nan 4.420 nan 0.000 0.222 1785 P C 1.181 178.323 177.300 -0.264 0.000 1.147 1785 P CA 1.084 63.871 63.100 -0.521 0.000 0.790 1785 P CB 0.118 31.666 31.700 -0.253 0.000 0.780 1786 G N -0.416 108.118 108.800 -0.443 0.000 2.712 1786 G HA2 0.052 3.936 3.960 -0.126 0.000 0.212 1786 G HA3 0.052 3.936 3.960 -0.126 0.000 0.212 1786 G C 0.690 175.427 174.900 -0.271 0.000 1.142 1786 G CA -0.115 44.435 45.100 -0.917 0.000 0.789 1786 G HN 0.211 nan 8.290 nan 0.000 0.535 1787 L N 0.624 121.733 121.223 -0.190 0.000 2.371 1787 L HA 0.227 4.491 4.340 -0.126 0.000 0.272 1787 L C 1.297 177.959 176.870 -0.346 0.000 1.124 1787 L CA -0.377 54.323 54.840 -0.234 0.000 0.816 1787 L CB 1.354 43.322 42.059 -0.152 0.000 1.129 1787 L HN 0.166 nan 8.230 nan 0.000 0.448 1788 E N 0.704 120.619 120.200 -0.475 0.000 2.268 1788 E HA -0.154 4.121 4.350 -0.126 0.000 0.195 1788 E C 1.902 178.387 176.600 -0.192 0.000 0.995 1788 E CA 1.195 57.272 56.400 -0.538 0.000 0.836 1788 E CB 0.215 29.706 29.700 -0.349 0.000 0.763 1788 E HN 0.827 nan 8.360 nan 0.000 0.491 1789 S N 0.644 116.291 115.700 -0.089 0.000 2.387 1789 S HA -0.136 4.258 4.470 -0.126 0.000 0.226 1789 S C 0.758 175.395 174.600 0.062 0.000 1.026 1789 S CA -0.005 58.191 58.200 -0.008 0.000 0.972 1789 S CB -0.421 62.782 63.200 0.006 0.000 0.814 1789 S HN 0.171 nan 8.310 nan 0.000 0.477 1790 F N 4.538 124.469 119.950 -0.032 0.000 2.578 1790 F HA 0.279 4.743 4.527 -0.105 0.000 0.376 1790 F C -1.581 174.254 175.800 0.059 0.000 1.085 1790 F CA -2.122 55.895 58.000 0.029 0.000 1.260 1790 F CB 0.541 39.575 39.000 0.057 0.000 1.095 1790 F HN 0.004 nan 8.300 nan 0.000 0.573 1791 P HA -0.116 nan 4.420 nan 0.000 0.215 1791 P C 0.989 178.230 177.300 -0.098 0.000 1.157 1791 P CA 1.805 64.739 63.100 -0.277 0.000 0.874 1791 P CB 0.033 31.496 31.700 -0.395 0.000 0.790 1792 G N -1.608 107.144 108.800 -0.080 0.000 3.440 1792 G HA2 -0.089 3.795 3.960 -0.126 0.000 0.263 1792 G HA3 -0.089 3.795 3.960 -0.126 0.000 0.263 1792 G C 1.139 176.247 174.900 0.346 0.000 1.236 1792 G CA -0.122 45.087 45.100 0.182 0.000 0.927 1792 G HN 0.338 nan 8.290 nan 0.000 0.530 1793 H N 0.709 119.944 119.070 0.275 0.000 2.357 1793 H HA -0.074 4.399 4.556 -0.139 0.000 0.301 1793 H C 1.421 176.847 175.328 0.163 0.000 1.082 1793 H CA 1.458 57.645 56.048 0.231 0.000 1.342 1793 H CB 0.312 30.179 29.762 0.174 0.000 1.389 1793 H HN 0.240 nan 8.280 nan 0.000 0.511 1794 D N 0.557 121.032 120.400 0.124 0.000 2.144 1794 D HA -0.104 4.460 4.640 -0.126 0.000 0.199 1794 D C 2.436 178.740 176.300 0.007 0.000 0.984 1794 D CA 0.956 54.983 54.000 0.046 0.000 0.834 1794 D CB -0.027 40.825 40.800 0.086 0.000 0.955 1794 D HN 0.490 nan 8.370 nan 0.000 0.465 1795 I N 1.033 121.626 120.570 0.040 0.000 2.286 1795 I HA -0.175 3.920 4.170 -0.126 0.000 0.245 1795 I C 2.528 178.660 176.117 0.024 0.000 1.104 1795 I CA 0.866 62.187 61.300 0.034 0.000 1.397 1795 I CB -0.213 37.819 38.000 0.054 0.000 1.072 1795 I HN -0.111 nan 8.210 nan 0.000 0.417 1796 A N 0.737 123.585 122.820 0.047 0.000 1.930 1796 A HA -0.224 4.020 4.320 -0.126 0.000 0.217 1796 A C 2.387 179.968 177.584 -0.006 0.000 1.175 1796 A CA 1.647 53.722 52.037 0.063 0.000 0.627 1796 A CB -0.470 18.630 19.000 0.167 0.000 0.815 1796 A HN 0.341 nan 8.150 nan 0.000 0.443 1797 K N -0.168 120.180 120.400 -0.088 0.000 2.097 1797 K HA -0.119 4.125 4.320 -0.126 0.000 0.205 1797 K C 1.863 178.408 176.600 -0.092 0.000 1.050 1797 K CA 1.641 57.851 56.287 -0.127 0.000 0.938 1797 K CB -0.114 32.245 32.500 -0.235 0.000 0.718 1797 K HN 0.430 nan 8.250 nan 0.000 0.442 1798 K N -0.225 120.139 120.400 -0.059 0.000 2.262 1798 K HA -0.027 4.217 4.320 -0.126 0.000 0.200 1798 K C 1.977 178.555 176.600 -0.038 0.000 1.049 1798 K CA 0.820 57.084 56.287 -0.039 0.000 0.979 1798 K CB 0.268 32.756 32.500 -0.021 0.000 0.773 1798 K HN 0.189 nan 8.250 nan 0.000 0.474 1799 Q N -0.450 119.330 119.800 -0.034 0.000 2.402 1799 Q HA 0.174 4.438 4.340 -0.126 0.000 0.206 1799 Q C 0.147 176.127 176.000 -0.034 0.000 0.919 1799 Q CA 0.375 56.164 55.803 -0.024 0.000 0.923 1799 Q CB 0.566 29.300 28.738 -0.007 0.000 1.048 1799 Q HN 0.203 nan 8.270 nan 0.000 0.515 1800 M N -0.312 119.244 119.600 -0.073 0.000 2.535 1800 M HA 0.235 4.640 4.480 -0.126 0.000 0.314 1800 M C 0.300 176.496 176.300 -0.173 0.000 1.153 1800 M CA -0.381 54.857 55.300 -0.103 0.000 0.924 1800 M CB 1.965 34.482 32.600 -0.138 0.000 1.710 1800 M HN -0.104 nan 8.290 nan 0.000 0.451 1801 T N -1.908 112.586 114.554 -0.100 0.000 3.188 1801 T HA 0.529 4.803 4.350 -0.126 0.000 0.250 1801 T C 0.480 175.003 174.700 -0.295 0.000 1.077 1801 T CA 0.143 62.183 62.100 -0.100 0.000 0.967 1801 T CB -0.255 68.645 68.868 0.053 0.000 1.006 1801 T HN 0.966 nan 8.240 nan 0.000 0.552 1802 G N -0.143 108.258 108.800 -0.664 0.000 2.315 1802 G HA2 0.465 4.349 3.960 -0.126 0.000 0.294 1802 G HA3 0.465 4.349 3.960 -0.126 0.000 0.294 1802 G C -2.263 171.878 174.900 -1.265 0.000 1.300 1802 G CA -1.148 43.134 45.100 -1.363 0.000 0.843 1802 G HN 0.229 nan 8.290 nan 0.000 0.527 1803 Y N -0.543 119.359 120.300 -0.663 0.000 2.499 1803 Y HA 0.667 4.998 4.550 -0.366 0.000 0.347 1803 Y C 1.009 176.843 175.900 -0.110 0.000 0.987 1803 Y CA -0.208 57.752 58.100 -0.232 0.000 1.044 1803 Y CB 2.107 40.526 38.460 -0.068 0.000 1.245 1803 Y HN 0.863 nan 8.280 nan 0.000 0.461 1804 G N -0.019 108.846 108.800 0.107 0.000 2.588 1804 G HA2 0.353 4.238 3.960 -0.126 0.000 0.278 1804 G HA3 0.353 4.238 3.960 -0.126 0.000 0.278 1804 G C 0.329 175.301 174.900 0.121 0.000 1.307 1804 G CA -0.218 44.868 45.100 -0.024 0.000 1.016 1804 G HN 0.724 nan 8.290 nan 0.000 0.503 1805 S N -1.928 113.882 115.700 0.183 0.000 2.593 1805 S HA 0.238 4.632 4.470 -0.126 0.000 0.236 1805 S C 0.354 175.154 174.600 0.333 0.000 0.991 1805 S CA -0.278 58.138 58.200 0.361 0.000 0.963 1805 S CB 0.330 63.775 63.200 0.408 0.000 0.865 1805 S HN 0.381 nan 8.310 nan 0.000 0.488 1806 T N 3.671 118.315 114.554 0.151 0.000 2.756 1806 T HA 0.674 4.948 4.350 -0.126 0.000 0.290 1806 T C -0.690 174.109 174.700 0.165 0.000 0.985 1806 T CA -0.524 61.541 62.100 -0.058 0.000 0.955 1806 T CB 0.244 68.787 68.868 -0.541 0.000 0.930 1806 T HN 0.483 nan 8.240 nan 0.000 0.451 1807 F N 1.663 121.666 119.950 0.089 0.000 2.754 1807 F HA 0.886 5.340 4.527 -0.121 0.000 0.320 1807 F C -2.048 173.867 175.800 0.192 0.000 1.156 1807 F CA -1.856 56.225 58.000 0.136 0.000 0.950 1807 F CB 1.037 40.086 39.000 0.082 0.000 1.388 1807 F HN 0.384 nan 8.300 nan 0.000 0.485 1808 L N 2.069 123.526 121.223 0.390 0.000 2.381 1808 L HA 0.835 5.099 4.340 -0.126 0.000 0.268 1808 L C -1.434 175.660 176.870 0.372 0.000 0.997 1808 L CA -0.868 54.084 54.840 0.188 0.000 0.818 1808 L CB 1.933 44.065 42.059 0.121 0.000 1.310 1808 L HN 0.719 nan 8.230 nan 0.000 0.416 1809 F N 0.632 120.683 119.950 0.168 0.000 2.613 1809 F HA 0.679 5.128 4.527 -0.131 0.000 0.314 1809 F C -0.755 175.117 175.800 0.120 0.000 1.075 1809 F CA -0.902 57.202 58.000 0.173 0.000 0.945 1809 F CB 1.348 40.467 39.000 0.198 0.000 1.310 1809 F HN 0.557 nan 8.300 nan 0.000 0.467 1810 E N 3.034 123.412 120.200 0.296 0.000 2.156 1810 E HA 0.380 4.654 4.350 -0.126 0.000 0.279 1810 E C -0.880 175.852 176.600 0.220 0.000 0.965 1810 E CA -0.897 55.610 56.400 0.178 0.000 0.789 1810 E CB 1.003 30.786 29.700 0.139 0.000 1.098 1810 E HN 0.563 nan 8.360 nan 0.000 0.397 1811 M N 3.013 122.717 119.600 0.173 0.000 2.371 1811 M HA 0.237 4.641 4.480 -0.126 0.000 0.301 1811 M C 1.035 177.410 176.300 0.125 0.000 1.173 1811 M CA -0.075 55.326 55.300 0.168 0.000 1.020 1811 M CB 0.854 33.544 32.600 0.151 0.000 1.490 1811 M HN 0.491 nan 8.290 nan 0.000 0.485 1812 K N 0.392 120.856 120.400 0.107 0.000 2.097 1812 K HA -0.056 4.188 4.320 -0.126 0.000 0.205 1812 K C 0.630 177.283 176.600 0.088 0.000 1.050 1812 K CA 1.163 57.501 56.287 0.085 0.000 0.938 1812 K CB 0.105 32.646 32.500 0.069 0.000 0.718 1812 K HN 0.812 nan 8.250 nan 0.000 0.442 1813 S N -1.867 113.891 115.700 0.096 0.000 2.688 1813 S HA 0.207 4.601 4.470 -0.126 0.000 0.275 1813 S C 0.299 174.992 174.600 0.154 0.000 1.175 1813 S CA -0.985 57.288 58.200 0.120 0.000 0.818 1813 S CB 0.460 63.718 63.200 0.097 0.000 1.157 1813 S HN 0.147 nan 8.310 nan 0.000 0.482 1814 F N 1.286 121.262 119.950 0.045 0.000 2.186 1814 F HA 0.057 4.508 4.527 -0.127 0.000 0.299 1814 F C 2.320 178.121 175.800 0.002 0.000 1.090 1814 F CA 1.640 59.657 58.000 0.028 0.000 1.307 1814 F CB -0.064 38.948 39.000 0.020 0.000 1.019 1814 F HN 0.632 nan 8.300 nan 0.000 0.489 1815 E N 0.796 120.915 120.200 -0.135 0.000 2.077 1815 E HA -0.196 4.078 4.350 -0.126 0.000 0.193 1815 E C 2.386 178.883 176.600 -0.172 0.000 0.989 1815 E CA 1.153 57.426 56.400 -0.213 0.000 0.800 1815 E CB -0.644 29.030 29.700 -0.043 0.000 0.746 1815 E HN 0.528 nan 8.360 nan 0.000 0.452 1816 A N 1.260 124.035 122.820 -0.074 0.000 1.930 1816 A HA -0.030 4.214 4.320 -0.126 0.000 0.217 1816 A C 2.388 179.952 177.584 -0.033 0.000 1.175 1816 A CA 1.791 53.812 52.037 -0.027 0.000 0.627 1816 A CB -0.423 18.594 19.000 0.028 0.000 0.815 1816 A HN 0.259 nan 8.150 nan 0.000 0.443 1817 A N -0.066 122.715 122.820 -0.065 0.000 1.873 1817 A HA -0.147 4.098 4.320 -0.126 0.000 0.215 1817 A C 2.148 179.639 177.584 -0.155 0.000 1.186 1817 A CA 1.887 53.892 52.037 -0.054 0.000 0.616 1817 A CB -0.471 18.531 19.000 0.003 0.000 0.823 1817 A HN 0.518 nan 8.150 nan 0.000 0.442 1818 K N -0.074 120.099 120.400 -0.380 0.000 2.063 1818 K HA -0.207 4.038 4.320 -0.126 0.000 0.208 1818 K C 2.152 178.673 176.600 -0.132 0.000 1.048 1818 K CA 1.879 57.941 56.287 -0.375 0.000 0.928 1818 K CB -0.210 31.914 32.500 -0.627 0.000 0.713 1818 K HN 0.428 nan 8.250 nan 0.000 0.442 1819 K N 0.525 120.881 120.400 -0.074 0.000 2.097 1819 K HA -0.164 4.080 4.320 -0.126 0.000 0.206 1819 K C 2.213 178.903 176.600 0.149 0.000 1.049 1819 K CA 1.165 57.494 56.287 0.069 0.000 0.933 1819 K CB -0.093 32.401 32.500 -0.010 0.000 0.717 1819 K HN 0.132 nan 8.250 nan 0.000 0.442 1820 L N 0.764 122.029 121.223 0.070 0.000 2.044 1820 L HA -0.061 4.203 4.340 -0.126 0.000 0.205 1820 L C 2.025 178.956 176.870 0.102 0.000 1.075 1820 L CA 1.626 56.523 54.840 0.096 0.000 0.747 1820 L CB -0.284 41.841 42.059 0.110 0.000 0.903 1820 L HN 0.186 nan 8.230 nan 0.000 0.435 1821 M N -0.886 118.748 119.600 0.057 0.000 2.296 1821 M HA -0.127 4.277 4.480 -0.126 0.000 0.265 1821 M C 1.323 177.625 176.300 0.003 0.000 1.064 1821 M CA 1.410 56.730 55.300 0.033 0.000 1.109 1821 M CB -0.178 32.424 32.600 0.002 0.000 1.396 1821 M HN 0.308 nan 8.290 nan 0.000 0.430 1822 E N -1.385 118.803 120.200 -0.020 0.000 2.444 1822 E HA 0.002 4.276 4.350 -0.126 0.000 0.191 1822 E C 0.069 176.469 176.600 -0.332 0.000 1.041 1822 E CA 0.204 56.513 56.400 -0.151 0.000 0.883 1822 E CB 0.239 29.819 29.700 -0.199 0.000 1.024 1822 E HN 0.578 nan 8.360 nan 0.000 0.470 1823 H N -0.820 118.245 119.070 -0.008 0.000 3.052 1823 H HA 0.237 4.717 4.556 -0.127 0.000 0.257 1823 H C -0.408 174.923 175.328 0.005 0.000 1.193 1823 H CA -0.223 55.824 56.048 -0.002 0.000 1.072 1823 H CB 0.635 30.396 29.762 -0.002 0.000 1.685 1823 H HN -0.064 nan 8.280 nan 0.000 0.630 1824 L N 1.189 122.459 121.223 0.078 0.000 2.331 1824 L HA 0.214 4.478 4.340 -0.126 0.000 0.278 1824 L C 0.969 177.857 176.870 0.030 0.000 1.106 1824 L CA 0.046 54.919 54.840 0.055 0.000 0.824 1824 L CB 1.455 43.543 42.059 0.047 0.000 1.142 1824 L HN 0.216 nan 8.230 nan 0.000 0.443 1825 K N 1.937 122.354 120.400 0.028 0.000 2.202 1825 K HA 0.036 4.280 4.320 -0.126 0.000 0.201 1825 K C 1.476 178.081 176.600 0.009 0.000 1.051 1825 K CA 0.473 56.770 56.287 0.016 0.000 0.977 1825 K CB 0.334 32.844 32.500 0.017 0.000 0.792 1825 K HN 0.441 nan 8.250 nan 0.000 0.469 1826 V N 1.404 121.323 119.914 0.008 0.000 2.436 1826 V HA -0.056 3.988 4.120 -0.126 0.000 0.240 1826 V C 1.227 177.324 176.094 0.006 0.000 1.040 1826 V CA 0.373 62.675 62.300 0.004 0.000 1.052 1826 V CB -0.037 31.785 31.823 -0.002 0.000 0.707 1826 V HN 0.268 nan 8.190 nan 0.000 0.469 1827 C N 1.554 120.861 119.300 0.012 0.000 2.676 1827 C HA 0.399 4.784 4.460 -0.126 0.000 0.416 1827 C C 0.854 175.850 174.990 0.011 0.000 1.299 1827 C CA -0.170 58.856 59.018 0.015 0.000 2.048 1827 C CB -0.457 27.300 27.740 0.028 0.000 2.713 1827 C HN 0.486 nan 8.230 nan 0.000 0.624 1828 T N 3.236 117.795 114.554 0.007 0.000 2.797 1828 T HA 0.350 4.624 4.350 -0.126 0.000 0.279 1828 T C -0.185 174.519 174.700 0.006 0.000 0.991 1828 T CA -0.399 61.703 62.100 0.003 0.000 0.979 1828 T CB 0.818 69.685 68.868 -0.002 0.000 0.943 1828 T HN 0.472 nan 8.240 nan 0.000 0.444 1829 L N 3.519 124.745 121.223 0.005 0.000 2.515 1829 L HA 0.491 4.755 4.340 -0.126 0.000 0.281 1829 L C 0.271 177.147 176.870 0.011 0.000 1.131 1829 L CA 0.086 54.932 54.840 0.010 0.000 0.905 1829 L CB -0.396 41.665 42.059 0.004 0.000 1.246 1829 L HN 0.871 nan 8.230 nan 0.000 0.463 1830 A N 3.321 126.149 122.820 0.014 0.000 2.605 1830 A HA 0.596 4.840 4.320 -0.126 0.000 0.294 1830 A C -0.538 177.056 177.584 0.017 0.000 1.062 1830 A CA -0.599 51.445 52.037 0.013 0.000 0.682 1830 A CB 1.173 20.174 19.000 0.001 0.000 1.278 1830 A HN 0.371 nan 8.150 nan 0.000 0.410 1831 V N -0.123 119.806 119.914 0.025 0.000 3.641 1831 V HA 0.836 4.881 4.120 -0.126 0.000 0.286 1831 V C 0.766 176.860 176.094 -0.000 0.000 1.027 1831 V CA 0.432 62.751 62.300 0.032 0.000 1.032 1831 V CB 0.629 32.486 31.823 0.057 0.000 1.238 1831 V HN 2.890 nan 8.190 nan 0.000 0.439 1832 S N -0.367 115.328 115.700 -0.009 0.000 3.960 1832 S HA -0.036 4.358 4.470 -0.126 0.000 0.671 1832 S C -0.929 173.607 174.600 -0.107 0.000 1.405 1832 S CA 0.640 58.802 58.200 -0.063 0.000 1.519 1832 S CB -1.175 61.986 63.200 -0.065 0.000 0.362 1832 S HN 2.499 nan 8.310 nan 0.000 1.244 1833 L N -0.833 120.276 121.223 -0.189 0.000 2.801 1833 L HA 0.871 5.135 4.340 -0.126 0.000 0.264 1833 L C 1.063 177.631 176.870 -0.503 0.000 1.086 1833 L CA -0.191 54.463 54.840 -0.310 0.000 0.920 1833 L CB 0.806 42.649 42.059 -0.360 0.000 1.529 1833 L HN 2.228 nan 8.230 nan 0.000 0.399 1834 G N -0.630 107.673 108.800 -0.828 0.000 2.160 1834 G HA2 -0.205 3.679 3.960 -0.126 0.000 0.251 1834 G HA3 -0.205 3.679 3.960 -0.126 0.000 0.251 1834 G C 0.184 174.689 174.900 -0.657 0.000 1.008 1834 G CA 0.218 44.428 45.100 -1.483 0.000 0.724 1834 G HN 0.787 nan 8.290 nan 0.000 0.514 1835 C N -0.572 118.531 119.300 -0.329 0.000 2.422 1835 C HA 0.518 4.902 4.460 -0.126 0.000 0.364 1835 C C 2.499 177.486 174.990 -0.004 0.000 1.251 1835 C CA -0.139 58.795 59.018 -0.140 0.000 2.441 1835 C CB 1.185 28.863 27.740 -0.105 0.000 2.393 1835 C HN 0.840 nan 8.230 nan 0.000 0.606 1836 V N -0.059 119.819 119.914 -0.060 0.000 2.594 1836 V HA -0.059 3.985 4.120 -0.126 0.000 0.253 1836 V C 0.779 176.857 176.094 -0.027 0.000 1.069 1836 V CA 1.766 64.025 62.300 -0.069 0.000 1.082 1836 V CB -1.041 30.668 31.823 -0.191 0.000 0.680 1836 V HN 0.943 nan 8.190 nan 0.000 0.469 1837 D N -0.148 120.241 120.400 -0.019 0.000 2.326 1837 D HA 0.218 4.783 4.640 -0.126 0.000 0.251 1837 D C -0.505 175.799 176.300 0.007 0.000 1.023 1837 D CA -0.435 53.562 54.000 -0.006 0.000 0.966 1837 D CB 1.619 42.412 40.800 -0.011 0.000 1.156 1837 D HN 0.146 nan 8.370 nan 0.000 0.494 1838 T N 1.198 115.760 114.554 0.012 0.000 2.794 1838 T HA 0.334 4.609 4.350 -0.126 0.000 0.296 1838 T C -0.058 174.641 174.700 -0.002 0.000 0.949 1838 T CA -0.446 61.664 62.100 0.015 0.000 1.101 1838 T CB 0.309 69.192 68.868 0.026 0.000 0.905 1838 T HN 0.162 nan 8.240 nan 0.000 0.516 1839 L N 3.606 124.818 121.223 -0.019 0.000 2.334 1839 L HA 0.699 4.963 4.340 -0.126 0.000 0.273 1839 L C -0.256 176.603 176.870 -0.018 0.000 1.013 1839 L CA -0.678 54.148 54.840 -0.024 0.000 0.816 1839 L CB 1.660 43.691 42.059 -0.047 0.000 1.278 1839 L HN 0.622 nan 8.230 nan 0.000 0.431 1840 I N 1.446 122.016 120.570 -0.001 0.000 2.730 1840 I HA 0.556 4.651 4.170 -0.126 0.000 0.298 1840 I C -1.112 175.016 176.117 0.018 0.000 1.089 1840 I CA -0.159 61.147 61.300 0.010 0.000 1.041 1840 I CB 1.857 39.882 38.000 0.043 0.000 1.235 1840 I HN 0.631 nan 8.210 nan 0.000 0.423 1841 E N 5.377 125.587 120.200 0.018 0.000 2.407 1841 E HA 0.222 4.496 4.350 -0.126 0.000 0.279 1841 E C -1.900 174.748 176.600 0.080 0.000 1.012 1841 E CA -0.591 55.840 56.400 0.053 0.000 0.800 1841 E CB 1.913 31.642 29.700 0.049 0.000 1.276 1841 E HN 0.687 nan 8.360 nan 0.000 0.452 1842 H N 4.249 123.332 119.070 0.020 0.000 2.786 1842 H HA 0.310 4.791 4.556 -0.126 0.000 0.284 1842 H C -2.070 173.294 175.328 0.060 0.000 1.104 1842 H CA -1.976 54.091 56.048 0.031 0.000 1.339 1842 H CB 1.647 31.454 29.762 0.075 0.000 1.427 1842 H HN 0.184 nan 8.280 nan 0.000 0.497 1843 P HA -0.150 nan 4.420 nan 0.000 0.216 1843 P C 1.364 178.605 177.300 -0.099 0.000 1.153 1843 P CA 1.897 64.949 63.100 -0.080 0.000 0.858 1843 P CB 0.203 31.811 31.700 -0.153 0.000 0.789 1844 A N -0.212 122.409 122.820 -0.332 0.000 1.972 1844 A HA -0.160 4.085 4.320 -0.126 0.000 0.219 1844 A C 2.093 179.684 177.584 0.013 0.000 1.169 1844 A CA 2.336 54.282 52.037 -0.152 0.000 0.635 1844 A CB -1.238 17.659 19.000 -0.172 0.000 0.810 1844 A HN 0.369 nan 8.150 nan 0.000 0.446 1845 S N -3.169 112.614 115.700 0.139 0.000 2.629 1845 S HA 0.518 4.912 4.470 -0.126 0.000 0.236 1845 S C 0.953 175.638 174.600 0.142 0.000 1.010 1845 S CA 0.162 58.469 58.200 0.178 0.000 0.981 1845 S CB 0.079 63.435 63.200 0.259 0.000 0.919 1845 S HN 0.419 nan 8.310 nan 0.000 0.514 1846 M N 1.202 120.878 119.600 0.127 0.000 3.105 1846 M HA 0.180 4.584 4.480 -0.126 0.000 0.157 1846 M C 2.281 178.629 176.300 0.080 0.000 1.882 1846 M CA 0.885 56.248 55.300 0.104 0.000 1.650 1846 M CB -0.467 32.208 32.600 0.125 0.000 0.973 1846 M HN 0.249 nan 8.290 nan 0.000 0.629 1847 T N -1.431 113.194 114.554 0.119 0.000 2.759 1847 T HA -0.174 4.100 4.350 -0.126 0.000 0.269 1847 T C 0.869 175.503 174.700 -0.110 0.000 1.042 1847 T CA 1.735 63.890 62.100 0.092 0.000 1.140 1847 T CB -0.613 68.406 68.868 0.251 0.000 0.864 1847 T HN 0.416 nan 8.240 nan 0.000 0.455 1848 H N 0.166 119.228 119.070 -0.012 0.000 2.472 1848 H HA 0.753 5.233 4.556 -0.127 0.000 0.287 1848 H C 1.650 176.948 175.328 -0.050 0.000 1.112 1848 H CA -0.046 55.973 56.048 -0.048 0.000 1.021 1848 H CB 0.039 29.777 29.762 -0.041 0.000 1.635 1848 H HN 0.468 nan 8.280 nan 0.000 0.559 1849 A N 0.499 123.333 122.820 0.023 0.000 1.970 1849 A HA 0.136 4.380 4.320 -0.126 0.000 0.216 1849 A C 2.227 179.795 177.584 -0.026 0.000 1.170 1849 A CA 1.189 53.229 52.037 0.007 0.000 0.645 1849 A CB -0.254 18.753 19.000 0.013 0.000 0.816 1849 A HN 0.453 nan 8.150 nan 0.000 0.447 1850 A N -0.533 122.250 122.820 -0.062 0.000 2.178 1850 A HA 0.392 4.636 4.320 -0.126 0.000 0.211 1850 A C 0.826 178.359 177.584 -0.085 0.000 1.157 1850 A CA 0.128 52.115 52.037 -0.084 0.000 0.780 1850 A CB -0.419 18.513 19.000 -0.113 0.000 0.828 1850 A HN 0.229 nan 8.150 nan 0.000 0.476 1851 V N 2.536 122.408 119.914 -0.070 0.000 2.493 1851 V HA 0.076 4.121 4.120 -0.126 0.000 0.292 1851 V C -2.100 173.977 176.094 -0.028 0.000 1.016 1851 V CA -0.988 61.285 62.300 -0.043 0.000 1.097 1851 V CB 0.134 31.969 31.823 0.020 0.000 0.947 1851 V HN 0.281 nan 8.190 nan 0.000 0.479 1852 P HA -0.009 nan 4.420 nan 0.000 0.265 1852 P C 1.051 178.341 177.300 -0.016 0.000 1.187 1852 P CA -0.049 63.034 63.100 -0.028 0.000 0.766 1852 P CB 0.450 32.135 31.700 -0.025 0.000 0.820 1853 E N 3.237 123.426 120.200 -0.019 0.000 2.171 1853 E HA -0.296 3.978 4.350 -0.126 0.000 0.197 1853 E C 0.943 177.537 176.600 -0.010 0.000 0.997 1853 E CA 2.226 58.617 56.400 -0.015 0.000 0.810 1853 E CB -1.064 28.625 29.700 -0.018 0.000 0.738 1853 E HN 0.688 nan 8.360 nan 0.000 0.467 1854 N N 0.789 119.484 118.700 -0.008 0.000 2.250 1854 N HA -0.056 4.608 4.740 -0.126 0.000 0.181 1854 N C 1.831 177.342 175.510 0.002 0.000 1.017 1854 N CA 0.766 53.814 53.050 -0.003 0.000 0.866 1854 N CB -0.322 38.162 38.487 -0.004 0.000 0.985 1854 N HN 0.073 nan 8.380 nan 0.000 0.429 1855 I N -0.103 120.470 120.570 0.005 0.000 2.761 1855 I HA 0.002 4.096 4.170 -0.126 0.000 0.261 1855 I C 2.352 178.478 176.117 0.015 0.000 1.198 1855 I CA 0.520 61.830 61.300 0.015 0.000 1.482 1855 I CB -0.212 37.801 38.000 0.022 0.000 1.100 1855 I HN 0.217 nan 8.210 nan 0.000 0.445 1856 M N 0.457 120.062 119.600 0.008 0.000 2.108 1856 M HA -0.205 4.199 4.480 -0.126 0.000 0.261 1856 M C 2.292 178.588 176.300 -0.006 0.000 1.066 1856 M CA 1.946 57.248 55.300 0.002 0.000 1.107 1856 M CB -0.112 32.485 32.600 -0.004 0.000 1.356 1856 M HN -0.012 nan 8.290 nan 0.000 0.406 1857 R N -0.910 119.588 120.500 -0.004 0.000 2.161 1857 R HA -0.002 4.262 4.340 -0.126 0.000 0.213 1857 R C 2.203 178.503 176.300 0.000 0.000 1.055 1857 R CA 0.989 57.086 56.100 -0.004 0.000 0.996 1857 R CB -0.205 30.093 30.300 -0.003 0.000 0.901 1857 R HN 0.338 nan 8.270 nan 0.000 0.456 1858 K N 0.781 121.184 120.400 0.005 0.000 2.148 1858 K HA -0.154 4.091 4.320 -0.126 0.000 0.204 1858 K C 1.814 178.420 176.600 0.010 0.000 1.050 1858 K CA 1.334 57.627 56.287 0.010 0.000 0.942 1858 K CB 0.213 32.723 32.500 0.017 0.000 0.724 1858 K HN 0.182 nan 8.250 nan 0.000 0.446 1859 Q N -1.112 118.692 119.800 0.007 0.000 2.123 1859 Q HA -0.008 4.256 4.340 -0.126 0.000 0.199 1859 Q C 0.813 176.806 176.000 -0.011 0.000 0.966 1859 Q CA 1.090 56.893 55.803 -0.001 0.000 0.845 1859 Q CB 0.339 29.069 28.738 -0.014 0.000 0.907 1859 Q HN 0.580 nan 8.270 nan 0.000 0.439 1860 G N 0.680 109.471 108.800 -0.015 0.000 2.141 1860 G HA2 -0.213 3.671 3.960 -0.126 0.000 0.195 1860 G HA3 -0.213 3.671 3.960 -0.126 0.000 0.195 1860 G C -0.332 174.551 174.900 -0.029 0.000 1.012 1860 G CA -0.401 44.691 45.100 -0.013 0.000 0.696 1860 G HN 0.154 nan 8.290 nan 0.000 0.508 1861 I N 2.477 123.016 120.570 -0.052 0.000 2.396 1861 I HA 0.521 4.616 4.170 -0.126 0.000 0.289 1861 I C 1.006 177.088 176.117 -0.058 0.000 1.056 1861 I CA 0.636 61.887 61.300 -0.082 0.000 1.365 1861 I CB 1.358 39.281 38.000 -0.130 0.000 1.407 1861 I HN 0.337 nan 8.210 nan 0.000 0.509 1862 T N 3.245 117.767 114.554 -0.054 0.000 2.916 1862 T HA 0.469 4.744 4.350 -0.126 0.000 0.292 1862 T C -2.233 172.460 174.700 -0.011 0.000 1.055 1862 T CA -2.016 60.071 62.100 -0.021 0.000 1.009 1862 T CB 1.818 70.692 68.868 0.011 0.000 1.118 1862 T HN 0.186 nan 8.240 nan 0.000 0.497 1863 P HA 0.032 nan 4.420 nan 0.000 0.229 1863 P C 0.658 178.209 177.300 0.418 0.000 1.150 1863 P CA 0.715 63.950 63.100 0.225 0.000 0.765 1863 P CB 0.051 31.799 31.700 0.079 0.000 0.783 1864 E N -1.203 119.124 120.200 0.212 0.000 2.385 1864 E HA 0.078 4.352 4.350 -0.126 0.000 0.194 1864 E C 0.441 177.110 176.600 0.116 0.000 1.013 1864 E CA 0.122 56.636 56.400 0.190 0.000 0.866 1864 E CB -0.226 29.551 29.700 0.129 0.000 0.832 1864 E HN 0.259 nan 8.360 nan 0.000 0.500 1865 L N 1.281 122.521 121.223 0.029 0.000 2.331 1865 L HA 0.259 4.523 4.340 -0.126 0.000 0.278 1865 L C -0.512 176.253 176.870 -0.175 0.000 1.106 1865 L CA -0.617 54.170 54.840 -0.089 0.000 0.824 1865 L CB 0.959 42.954 42.059 -0.107 0.000 1.142 1865 L HN -0.156 nan 8.230 nan 0.000 0.443 1866 V N 4.241 123.914 119.914 -0.401 0.000 2.495 1866 V HA 0.445 4.489 4.120 -0.126 0.000 0.298 1866 V C -0.010 175.670 176.094 -0.690 0.000 1.031 1866 V CA -0.729 61.252 62.300 -0.531 0.000 0.871 1866 V CB 1.944 33.357 31.823 -0.683 0.000 0.988 1866 V HN 0.684 nan 8.190 nan 0.000 0.432 1867 R N 3.960 124.261 120.500 -0.332 0.000 2.338 1867 R HA 0.675 4.939 4.340 -0.126 0.000 0.317 1867 R C -1.251 174.953 176.300 -0.160 0.000 0.968 1867 R CA -0.493 55.480 56.100 -0.211 0.000 0.849 1867 R CB 1.404 31.667 30.300 -0.061 0.000 1.128 1867 R HN 0.783 nan 8.270 nan 0.000 0.448 1868 I N 1.894 122.345 120.570 -0.198 0.000 2.562 1868 I HA 0.262 4.356 4.170 -0.126 0.000 0.301 1868 I C -0.838 175.126 176.117 -0.254 0.000 1.003 1868 I CA -0.311 60.884 61.300 -0.174 0.000 1.127 1868 I CB 2.156 40.103 38.000 -0.089 0.000 1.304 1868 I HN 0.536 nan 8.210 nan 0.000 0.446 1869 S N 6.309 121.925 115.700 -0.141 0.000 2.653 1869 S HA 0.420 4.814 4.470 -0.126 0.000 0.272 1869 S C -0.906 173.685 174.600 -0.014 0.000 1.221 1869 S CA -0.582 57.550 58.200 -0.114 0.000 1.149 1869 S CB 0.474 63.576 63.200 -0.163 0.000 1.029 1869 S HN 0.366 nan 8.310 nan 0.000 0.481 1870 V N 5.467 125.433 119.914 0.086 0.000 2.439 1870 V HA 0.410 4.454 4.120 -0.126 0.000 0.271 1870 V C 1.549 177.808 176.094 0.274 0.000 1.040 1870 V CA 0.193 62.596 62.300 0.172 0.000 1.002 1870 V CB 0.403 32.381 31.823 0.258 0.000 1.000 1870 V HN 0.869 nan 8.190 nan 0.000 0.477 1871 G N 4.054 112.963 108.800 0.181 0.000 2.485 1871 G HA2 0.381 4.266 3.960 -0.126 0.000 0.260 1871 G HA3 0.381 4.266 3.960 -0.126 0.000 0.260 1871 G C 0.551 175.457 174.900 0.011 0.000 1.459 1871 G CA -0.234 44.975 45.100 0.181 0.000 1.060 1871 G HN 0.963 nan 8.290 nan 0.000 0.546 1872 I N -2.081 118.417 120.570 -0.120 0.000 3.889 1872 I HA 0.427 4.521 4.170 -0.126 0.000 0.332 1872 I C -0.121 175.948 176.117 -0.080 0.000 1.493 1872 I CA -0.428 60.766 61.300 -0.177 0.000 1.158 1872 I CB 0.080 37.913 38.000 -0.278 0.000 1.117 1872 I HN 0.095 nan 8.210 nan 0.000 0.411 1873 E N 1.821 121.996 120.200 -0.040 0.000 2.416 1873 E HA 0.057 4.332 4.350 -0.126 0.000 0.254 1873 E C 0.053 176.639 176.600 -0.024 0.000 1.241 1873 E CA -0.231 56.153 56.400 -0.026 0.000 0.969 1873 E CB 0.226 29.917 29.700 -0.015 0.000 0.999 1873 E HN 0.362 nan 8.360 nan 0.000 0.481 1874 N N -0.154 118.533 118.700 -0.023 0.000 2.454 1874 N HA -0.076 4.588 4.740 -0.126 0.000 0.260 1874 N C 0.520 176.013 175.510 -0.027 0.000 1.218 1874 N CA 0.090 53.126 53.050 -0.023 0.000 0.904 1874 N CB 0.723 39.196 38.487 -0.023 0.000 1.065 1874 N HN 0.312 nan 8.380 nan 0.000 0.462 1875 V N 2.264 122.163 119.914 -0.026 0.000 2.324 1875 V HA -0.273 3.771 4.120 -0.126 0.000 0.250 1875 V C 1.400 177.452 176.094 -0.069 0.000 1.060 1875 V CA 1.990 64.270 62.300 -0.033 0.000 1.042 1875 V CB -0.574 31.233 31.823 -0.027 0.000 0.650 1875 V HN 0.686 nan 8.190 nan 0.000 0.450 1876 D N -0.044 120.315 120.400 -0.068 0.000 2.178 1876 D HA -0.129 4.435 4.640 -0.126 0.000 0.202 1876 D C 1.898 178.142 176.300 -0.093 0.000 0.974 1876 D CA 1.277 55.222 54.000 -0.092 0.000 0.841 1876 D CB -0.313 40.447 40.800 -0.067 0.000 0.953 1876 D HN 0.449 nan 8.370 nan 0.000 0.478 1877 D N 0.488 120.850 120.400 -0.064 0.000 2.144 1877 D HA -0.093 4.471 4.640 -0.126 0.000 0.200 1877 D C 2.220 178.485 176.300 -0.059 0.000 0.978 1877 D CA 0.311 54.280 54.000 -0.053 0.000 0.833 1877 D CB -0.063 40.717 40.800 -0.033 0.000 0.961 1877 D HN 0.272 nan 8.370 nan 0.000 0.470 1878 I N 0.136 120.671 120.570 -0.059 0.000 2.286 1878 I HA -0.124 3.970 4.170 -0.126 0.000 0.245 1878 I C 2.081 178.133 176.117 -0.107 0.000 1.104 1878 I CA 0.980 62.249 61.300 -0.052 0.000 1.397 1878 I CB -0.091 37.900 38.000 -0.015 0.000 1.072 1878 I HN -0.139 nan 8.210 nan 0.000 0.417 1879 I N 1.121 121.575 120.570 -0.193 0.000 2.226 1879 I HA -0.275 3.819 4.170 -0.126 0.000 0.245 1879 I C 2.673 178.550 176.117 -0.399 0.000 1.100 1879 I CA 1.438 62.479 61.300 -0.432 0.000 1.374 1879 I CB -0.652 37.004 38.000 -0.573 0.000 1.057 1879 I HN 0.366 nan 8.210 nan 0.000 0.413 1880 A N 0.086 122.767 122.820 -0.233 0.000 1.933 1880 A HA -0.286 3.958 4.320 -0.126 0.000 0.218 1880 A C 1.978 179.517 177.584 -0.075 0.000 1.175 1880 A CA 2.219 54.173 52.037 -0.138 0.000 0.628 1880 A CB -0.623 18.324 19.000 -0.089 0.000 0.814 1880 A HN 0.442 nan 8.150 nan 0.000 0.444 1881 D N -0.229 120.134 120.400 -0.062 0.000 2.144 1881 D HA -0.084 4.480 4.640 -0.126 0.000 0.200 1881 D C 1.802 178.102 176.300 0.000 0.000 0.978 1881 D CA 1.069 55.057 54.000 -0.019 0.000 0.833 1881 D CB -0.178 40.616 40.800 -0.011 0.000 0.961 1881 D HN 0.419 nan 8.370 nan 0.000 0.470 1882 L N -0.159 121.057 121.223 -0.013 0.000 2.109 1882 L HA -0.065 4.199 4.340 -0.126 0.000 0.207 1882 L C 2.534 179.445 176.870 0.067 0.000 1.086 1882 L CA 0.888 55.750 54.840 0.037 0.000 0.760 1882 L CB -0.283 41.821 42.059 0.075 0.000 0.910 1882 L HN -0.010 nan 8.230 nan 0.000 0.437 1883 K N 0.255 120.694 120.400 0.064 0.000 2.057 1883 K HA -0.248 3.997 4.320 -0.126 0.000 0.207 1883 K C 2.198 178.862 176.600 0.107 0.000 1.049 1883 K CA 1.771 58.158 56.287 0.166 0.000 0.931 1883 K CB 0.085 32.649 32.500 0.107 0.000 0.714 1883 K HN 0.355 nan 8.250 nan 0.000 0.440 1884 Q N -0.480 119.352 119.800 0.054 0.000 2.172 1884 Q HA 0.011 4.276 4.340 -0.126 0.000 0.200 1884 Q C 1.700 177.720 176.000 0.032 0.000 0.964 1884 Q CA 1.482 57.309 55.803 0.042 0.000 0.855 1884 Q CB -0.295 28.459 28.738 0.026 0.000 0.918 1884 Q HN 0.232 nan 8.270 nan 0.000 0.444 1885 A N 0.715 123.558 122.820 0.038 0.000 2.014 1885 A HA 0.102 4.346 4.320 -0.126 0.000 0.218 1885 A C 1.935 179.529 177.584 0.016 0.000 1.163 1885 A CA 0.732 52.791 52.037 0.036 0.000 0.652 1885 A CB -0.405 18.638 19.000 0.071 0.000 0.808 1885 A HN 0.391 nan 8.150 nan 0.000 0.449 1886 L N -1.229 120.006 121.223 0.019 0.000 2.591 1886 L HA 0.062 4.326 4.340 -0.126 0.000 0.228 1886 L C 1.783 178.705 176.870 0.086 0.000 1.133 1886 L CA 0.604 55.453 54.840 0.015 0.000 0.880 1886 L CB 0.027 41.991 42.059 -0.158 0.000 1.033 1886 L HN 0.454 nan 8.230 nan 0.000 0.450 1887 E N -1.586 118.654 120.200 0.065 0.000 2.441 1887 E HA 0.166 4.440 4.350 -0.126 0.000 0.207 1887 E C 0.018 176.623 176.600 0.010 0.000 0.803 1887 E CA -0.248 56.190 56.400 0.064 0.000 1.240 1887 E CB 0.675 30.433 29.700 0.097 0.000 1.233 1887 E HN 0.090 nan 8.360 nan 0.000 0.590 1888 L N 0.000 121.214 121.223 -0.016 0.000 2.949 1888 L HA 0.000 4.264 4.340 -0.126 0.000 0.249 1888 L CA 0.000 54.809 54.840 -0.052 0.000 0.813 1888 L CB 0.000 42.039 42.059 -0.034 0.000 0.961 1888 L HN 0.000 nan 8.230 nan 0.000 0.502