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 3acz_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 XYINGHGDVI GGVSSAKTAE DIATIKFYRK DAGSLMAPMD AFLCARGMKT DATA SEQUENCE LPIRMQIHME NGLKVAKFLE QHEKIVKVNH PGLESFPGHD IAKKQMTGYG DATA SEQUENCE STFLFEMKSF EAAKKLMEHL KVCTLAVSLG CVDTLIEHPA SMTHAAVPEN DATA SEQUENCE IMRKQGITPE LVRISVGIEN VDDIIADLKQ ALEL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1505 D HA 0.000 nan 4.640 nan 0.000 0.175 1505 D C 0.000 176.303 176.300 0.005 0.000 2.045 1505 D CA 0.000 54.005 54.000 0.008 0.000 0.868 1505 D CB 0.000 40.807 40.800 0.011 0.000 0.688 1506 I N -0.084 120.481 120.570 -0.007 0.000 2.361 1506 I HA -0.215 3.853 4.170 -0.170 0.000 0.251 1506 I C 1.859 177.970 176.117 -0.010 0.000 1.133 1506 I CA 1.702 62.989 61.300 -0.020 0.000 1.413 1506 I CB -0.689 37.281 38.000 -0.050 0.000 1.073 1506 I HN 0.449 nan 8.210 nan 0.000 0.424 1507 T N 0.381 114.936 114.554 0.001 0.000 2.708 1507 T HA -0.165 4.083 4.350 -0.170 0.000 0.266 1507 T C 1.940 176.667 174.700 0.044 0.000 1.037 1507 T CA 2.126 64.234 62.100 0.013 0.000 1.146 1507 T CB -0.414 68.466 68.868 0.020 0.000 0.865 1507 T HN 0.390 nan 8.240 nan 0.000 0.435 1508 T N 1.873 116.469 114.554 0.070 0.000 2.720 1508 T HA -0.132 4.116 4.350 -0.170 0.000 0.268 1508 T C 2.268 177.065 174.700 0.162 0.000 1.037 1508 T CA 1.724 63.911 62.100 0.146 0.000 1.144 1508 T CB -0.759 68.163 68.868 0.090 0.000 0.864 1508 T HN 0.414 nan 8.240 nan 0.000 0.444 1509 T N 2.432 117.030 114.554 0.074 0.000 2.708 1509 T HA 0.051 4.299 4.350 -0.170 0.000 0.266 1509 T C 1.994 176.711 174.700 0.028 0.000 1.037 1509 T CA 0.883 63.013 62.100 0.050 0.000 1.146 1509 T CB -0.477 68.396 68.868 0.009 0.000 0.865 1509 T HN 0.259 nan 8.240 nan 0.000 0.435 1510 L N 0.367 121.590 121.223 0.000 0.000 2.131 1510 L HA 0.022 4.260 4.340 -0.170 0.000 0.210 1510 L C 2.227 179.065 176.870 -0.052 0.000 1.092 1510 L CA 0.954 55.776 54.840 -0.030 0.000 0.759 1510 L CB -0.472 41.566 42.059 -0.035 0.000 0.903 1510 L HN 0.256 nan 8.230 nan 0.000 0.435 1511 L N -1.357 119.830 121.223 -0.059 0.000 2.492 1511 L HA -0.014 4.223 4.340 -0.170 0.000 0.223 1511 L C 0.602 177.196 176.870 -0.461 0.000 1.132 1511 L CA 0.284 54.991 54.840 -0.222 0.000 0.850 1511 L CB -0.072 41.858 42.059 -0.215 0.000 0.966 1511 L HN 0.332 nan 8.230 nan 0.000 0.454 1512 H N 0.191 119.269 119.070 0.014 0.000 2.439 1512 H HA 0.289 4.742 4.556 -0.171 0.000 0.230 1512 H C -2.181 173.144 175.328 -0.005 0.000 1.420 1512 H CA -1.527 54.534 56.048 0.022 0.000 1.305 1512 H CB 0.279 30.060 29.762 0.030 0.000 1.667 1512 H HN 0.086 nan 8.280 nan 0.000 0.515 1513 P HA 0.105 nan 4.420 nan 0.000 0.272 1513 P C 0.216 177.506 177.300 -0.017 0.000 1.230 1513 P CA -0.502 62.590 63.100 -0.014 0.000 0.788 1513 P CB 1.787 33.452 31.700 -0.058 0.000 0.949 1514 K N 0.366 120.747 120.400 -0.032 0.000 2.219 1514 K HA 0.577 4.795 4.320 -0.170 0.000 0.258 1514 K C 0.565 177.131 176.600 -0.056 0.000 1.008 1514 K CA 0.967 57.232 56.287 -0.037 0.000 0.928 1514 K CB -0.079 32.401 32.500 -0.034 0.000 0.983 1514 K HN 0.937 nan 8.250 nan 0.000 0.484 1515 G N 1.314 110.082 108.800 -0.054 0.000 2.428 1515 G HA2 -0.064 3.794 3.960 -0.170 0.000 0.681 1515 G HA3 -0.064 3.794 3.960 -0.170 0.000 0.681 1515 G C -1.625 173.227 174.900 -0.079 0.000 1.340 1515 G CA -1.039 44.035 45.100 -0.044 0.000 0.915 1515 G HN 0.524 nan 8.290 nan 0.000 0.645 1516 D N 0.340 120.721 120.400 -0.033 0.000 2.313 1516 D HA 0.370 4.907 4.640 -0.170 0.000 0.247 1516 D C 0.538 176.811 176.300 -0.046 0.000 1.094 1516 D CA 0.160 54.123 54.000 -0.061 0.000 0.925 1516 D CB 0.708 41.508 40.800 -0.000 0.000 1.188 1516 D HN 0.470 nan 8.370 nan 0.000 0.430 1517 H N -0.696 118.407 119.070 0.055 0.000 2.771 1517 H HA 0.193 4.647 4.556 -0.171 0.000 0.364 1517 H C -0.138 175.181 175.328 -0.015 0.000 1.133 1517 H CA -0.311 55.761 56.048 0.041 0.000 1.423 1517 H CB 0.794 30.559 29.762 0.005 0.000 1.425 1517 H HN -0.021 nan 8.280 nan 0.000 0.606 1518 V N 4.606 124.559 119.914 0.065 0.000 2.383 1518 V HA -0.011 4.007 4.120 -0.170 0.000 0.275 1518 V C 0.748 176.856 176.094 0.024 0.000 1.036 1518 V CA -0.394 61.912 62.300 0.010 0.000 0.889 1518 V CB 0.735 32.508 31.823 -0.083 0.000 0.985 1518 V HN 0.782 nan 8.190 nan 0.000 0.459 1519 L N 5.911 127.164 121.223 0.050 0.000 3.781 1519 L HA -0.292 3.945 4.340 -0.170 0.000 0.426 1519 L C 1.065 178.049 176.870 0.191 0.000 1.197 1519 L CA 0.673 55.580 54.840 0.111 0.000 0.907 1519 L CB -1.521 40.573 42.059 0.059 0.000 1.812 1519 L HN 1.100 nan 8.230 nan 0.000 0.956 1520 H N -2.568 116.537 119.070 0.059 0.000 3.366 1520 H HA -0.176 4.278 4.556 -0.170 0.000 0.233 1520 H C 1.100 176.409 175.328 -0.033 0.000 1.102 1520 H CA 1.176 57.237 56.048 0.022 0.000 1.184 1520 H CB -0.931 28.830 29.762 -0.002 0.000 1.216 1520 H HN 0.530 nan 8.280 nan 0.000 0.317 1521 S N -0.424 115.324 115.700 0.081 0.000 2.537 1521 S HA -0.044 4.324 4.470 -0.170 0.000 0.286 1521 S C 1.555 176.193 174.600 0.063 0.000 1.299 1521 S CA 0.236 58.468 58.200 0.053 0.000 1.067 1521 S CB 0.674 63.882 63.200 0.013 0.000 0.864 1521 S HN 0.551 nan 8.310 nan 0.000 0.494 1522 H N 3.854 122.894 119.070 -0.049 0.000 2.299 1522 H HA 0.088 4.542 4.556 -0.170 0.000 0.302 1522 H C 0.991 176.380 175.328 0.102 0.000 1.078 1522 H CA 0.978 57.000 56.048 -0.043 0.000 1.323 1522 H CB -0.236 29.507 29.762 -0.032 0.000 1.381 1522 H HN 0.740 nan 8.280 nan 0.000 0.498 1523 A N 0.643 123.462 122.820 -0.001 0.000 2.401 1523 A HA 0.111 4.328 4.320 -0.170 0.000 0.259 1523 A C -0.979 176.689 177.584 0.140 0.000 1.103 1523 A CA -0.277 51.774 52.037 0.024 0.000 0.789 1523 A CB -0.332 18.729 19.000 0.101 0.000 1.035 1523 A HN 0.536 nan 8.150 nan 0.000 0.491 1524 Y N 3.548 123.917 120.300 0.115 0.000 2.544 1524 Y HA 0.294 4.742 4.550 -0.169 0.000 0.330 1524 Y C -1.801 174.224 175.900 0.208 0.000 1.136 1524 Y CA -0.993 57.210 58.100 0.171 0.000 1.417 1524 Y CB 0.297 38.849 38.460 0.153 0.000 1.229 1524 Y HN 0.519 nan 8.280 nan 0.000 0.532 1525 P HA 0.125 nan 4.420 nan 0.000 0.271 1525 P C -0.891 176.451 177.300 0.069 0.000 1.233 1525 P CA 0.033 63.050 63.100 -0.137 0.000 0.789 1525 P CB 0.624 32.067 31.700 -0.428 0.000 0.951 1526 I N 1.595 122.101 120.570 -0.106 0.000 2.291 1526 I HA 0.196 4.264 4.170 -0.170 0.000 0.290 1526 I C -0.044 176.006 176.117 -0.112 0.000 1.050 1526 I CA -0.301 60.981 61.300 -0.030 0.000 1.245 1526 I CB -0.162 37.706 38.000 -0.220 0.000 1.405 1526 I HN 0.201 nan 8.210 nan 0.000 0.478 1527 F N 4.849 124.808 119.950 0.014 0.000 2.605 1527 F HA 0.153 4.578 4.527 -0.171 0.000 0.352 1527 F C 1.099 176.864 175.800 -0.058 0.000 1.236 1527 F CA -0.376 57.612 58.000 -0.020 0.000 1.267 1527 F CB 0.200 39.233 39.000 0.054 0.000 1.632 1527 F HN 0.474 nan 8.300 nan 0.000 0.639 1528 Q N 2.636 122.420 119.800 -0.027 0.000 3.026 1528 Q HA 0.151 4.389 4.340 -0.170 0.000 0.258 1528 Q C -0.282 175.664 176.000 -0.090 0.000 1.388 1528 Q CA 0.117 55.887 55.803 -0.056 0.000 1.000 1528 Q CB 0.144 28.824 28.738 -0.096 0.000 1.634 1528 Q HN 0.447 nan 8.270 nan 0.000 0.571 1529 T N -0.459 114.041 114.554 -0.089 0.000 2.900 1529 T HA 0.450 4.698 4.350 -0.170 0.000 0.303 1529 T C 0.657 175.235 174.700 -0.204 0.000 1.142 1529 T CA 0.064 62.053 62.100 -0.184 0.000 1.007 1529 T CB 1.234 69.908 68.868 -0.323 0.000 1.156 1529 T HN 0.440 nan 8.240 nan 0.000 0.490 1530 S N 1.990 117.560 115.700 -0.218 0.000 2.427 1530 S HA 0.239 4.607 4.470 -0.170 0.000 0.224 1530 S C 1.016 175.440 174.600 -0.295 0.000 1.047 1530 S CA 0.274 58.309 58.200 -0.275 0.000 0.953 1530 S CB -0.080 63.023 63.200 -0.163 0.000 0.824 1530 S HN 0.697 nan 8.310 nan 0.000 0.502 1531 T N 0.364 114.801 114.554 -0.195 0.000 2.910 1531 T HA 0.710 4.958 4.350 -0.170 0.000 0.287 1531 T C -1.910 172.552 174.700 -0.397 0.000 1.050 1531 T CA -0.794 61.280 62.100 -0.043 0.000 1.011 1531 T CB 0.933 69.884 68.868 0.138 0.000 1.195 1531 T HN 0.181 nan 8.240 nan 0.000 0.540 1532 F N 1.059 120.975 119.950 -0.058 0.000 2.563 1532 F HA 0.561 4.985 4.527 -0.171 0.000 0.316 1532 F C 0.637 176.263 175.800 -0.291 0.000 1.076 1532 F CA -0.882 57.056 58.000 -0.104 0.000 0.921 1532 F CB 1.210 40.194 39.000 -0.028 0.000 1.209 1532 F HN 0.763 nan 8.300 nan 0.000 0.462 1533 C N 0.524 119.792 119.300 -0.053 0.000 2.398 1533 C HA 0.761 5.119 4.460 -0.170 0.000 0.364 1533 C C -0.552 174.398 174.990 -0.067 0.000 1.219 1533 C CA -1.039 57.892 59.018 -0.146 0.000 2.312 1533 C CB -0.099 27.629 27.740 -0.019 0.000 2.428 1533 C HN 0.505 nan 8.230 nan 0.000 0.564 1534 F N 1.241 121.267 119.950 0.126 0.000 2.458 1534 F HA 0.358 4.782 4.527 -0.170 0.000 0.330 1534 F C 1.285 177.135 175.800 0.083 0.000 1.082 1534 F CA -0.771 57.294 58.000 0.108 0.000 0.995 1534 F CB 0.766 39.833 39.000 0.111 0.000 1.170 1534 F HN 0.602 nan 8.300 nan 0.000 0.478 1535 D N 0.201 120.770 120.400 0.281 0.000 2.269 1535 D HA -0.007 4.531 4.640 -0.170 0.000 0.208 1535 D C 0.422 176.802 176.300 0.134 0.000 0.963 1535 D CA 1.031 55.129 54.000 0.164 0.000 0.864 1535 D CB 0.237 41.110 40.800 0.121 0.000 0.936 1535 D HN 0.438 nan 8.370 nan 0.000 0.505 1536 S N -2.699 113.088 115.700 0.145 0.000 2.627 1536 S HA 0.191 4.559 4.470 -0.170 0.000 0.268 1536 S C 0.699 175.340 174.600 0.069 0.000 1.130 1536 S CA -0.641 57.614 58.200 0.091 0.000 0.819 1536 S CB 1.303 64.533 63.200 0.050 0.000 1.100 1536 S HN -0.148 nan 8.310 nan 0.000 0.465 1537 T N 1.174 115.755 114.554 0.045 0.000 2.684 1537 T HA -0.154 4.094 4.350 -0.170 0.000 0.267 1537 T C 1.757 176.425 174.700 -0.055 0.000 1.036 1537 T CA 2.197 64.302 62.100 0.008 0.000 1.148 1537 T CB -0.548 68.328 68.868 0.014 0.000 0.863 1537 T HN 0.638 nan 8.240 nan 0.000 0.436 1538 Q N 1.054 120.833 119.800 -0.036 0.000 2.096 1538 Q HA -0.116 4.121 4.340 -0.170 0.000 0.204 1538 Q C 2.368 178.316 176.000 -0.087 0.000 0.982 1538 Q CA 1.582 57.356 55.803 -0.049 0.000 0.850 1538 Q CB -0.480 28.244 28.738 -0.024 0.000 0.901 1538 Q HN 0.496 nan 8.270 nan 0.000 0.422 1539 Q N -1.052 118.697 119.800 -0.085 0.000 2.084 1539 Q HA -0.115 4.123 4.340 -0.170 0.000 0.202 1539 Q C 1.792 177.604 176.000 -0.313 0.000 0.978 1539 Q CA 1.669 57.405 55.803 -0.112 0.000 0.844 1539 Q CB -0.416 28.312 28.738 -0.016 0.000 0.898 1539 Q HN 0.515 nan 8.270 nan 0.000 0.426 1540 G N 0.414 108.850 108.800 -0.607 0.000 2.404 1540 G HA2 -0.192 3.666 3.960 -0.170 0.000 0.215 1540 G HA3 -0.192 3.666 3.960 -0.170 0.000 0.215 1540 G C 1.540 176.158 174.900 -0.470 0.000 1.174 1540 G CA 1.156 45.421 45.100 -1.392 0.000 0.780 1540 G HN 0.498 nan 8.290 nan 0.000 0.537 1541 A N 1.225 123.913 122.820 -0.220 0.000 1.883 1541 A HA -0.116 4.102 4.320 -0.170 0.000 0.217 1541 A C 2.107 179.680 177.584 -0.017 0.000 1.186 1541 A CA 2.277 54.282 52.037 -0.054 0.000 0.624 1541 A CB -0.563 18.402 19.000 -0.059 0.000 0.822 1541 A HN 0.293 nan 8.150 nan 0.000 0.444 1542 D N 0.025 120.382 120.400 -0.072 0.000 2.104 1542 D HA -0.137 4.401 4.640 -0.170 0.000 0.194 1542 D C 1.959 178.223 176.300 -0.059 0.000 0.994 1542 D CA 1.130 55.098 54.000 -0.054 0.000 0.830 1542 D CB -0.435 40.328 40.800 -0.062 0.000 0.959 1542 D HN 0.443 nan 8.370 nan 0.000 0.452 1543 L N -0.439 120.711 121.223 -0.122 0.000 2.042 1543 L HA -0.176 4.062 4.340 -0.170 0.000 0.210 1543 L C 2.396 179.174 176.870 -0.155 0.000 1.076 1543 L CA 0.885 55.631 54.840 -0.158 0.000 0.749 1543 L CB -0.418 41.517 42.059 -0.206 0.000 0.893 1543 L HN 0.001 nan 8.230 nan 0.000 0.432 1544 F N -0.564 119.335 119.950 -0.086 0.000 2.269 1544 F HA -0.200 4.225 4.527 -0.170 0.000 0.301 1544 F C 2.309 178.095 175.800 -0.023 0.000 1.082 1544 F CA 1.103 59.083 58.000 -0.033 0.000 1.360 1544 F CB -0.200 38.778 39.000 -0.037 0.000 1.041 1544 F HN 0.061 nan 8.300 nan 0.000 0.512 1545 M N -0.770 118.898 119.600 0.113 0.000 2.495 1545 M HA 0.241 4.618 4.480 -0.170 0.000 0.237 1545 M C 1.457 177.769 176.300 0.020 0.000 1.131 1545 M CA 0.689 56.025 55.300 0.061 0.000 1.032 1545 M CB -0.128 32.493 32.600 0.034 0.000 1.513 1545 M HN 0.224 nan 8.290 nan 0.000 0.488 1546 G N 2.405 111.201 108.800 -0.007 0.000 2.160 1546 G HA2 -0.287 3.571 3.960 -0.170 0.000 0.251 1546 G HA3 -0.287 3.571 3.960 -0.170 0.000 0.251 1546 G C -0.024 174.851 174.900 -0.041 0.000 1.008 1546 G CA 0.362 45.442 45.100 -0.033 0.000 0.724 1546 G HN 0.510 nan 8.290 nan 0.000 0.514 1547 K N 0.263 120.638 120.400 -0.041 0.000 2.235 1547 K HA 0.600 4.818 4.320 -0.170 0.000 0.266 1547 K C 0.825 177.393 176.600 -0.054 0.000 0.980 1547 K CA 0.380 56.644 56.287 -0.040 0.000 0.849 1547 K CB 0.918 33.401 32.500 -0.028 0.000 1.098 1547 K HN 1.639 nan 8.250 nan 0.000 0.445 1548 G N 2.339 111.108 108.800 -0.050 0.000 2.685 1548 G HA2 -0.182 3.676 3.960 -0.170 0.000 0.387 1548 G HA3 -0.182 3.676 3.960 -0.170 0.000 0.387 1548 G C -1.378 173.478 174.900 -0.073 0.000 1.324 1548 G CA -0.682 44.388 45.100 -0.051 0.000 0.878 1548 G HN 0.603 nan 8.290 nan 0.000 0.527 1549 E N -0.341 119.818 120.200 -0.068 0.000 2.195 1549 E HA 0.764 5.012 4.350 -0.170 0.000 0.271 1549 E C 0.622 177.155 176.600 -0.112 0.000 0.923 1549 E CA 0.929 57.269 56.400 -0.100 0.000 0.790 1549 E CB 1.420 31.080 29.700 -0.067 0.000 1.155 1549 E HN 2.096 nan 8.360 nan 0.000 0.402 1550 G N 1.721 110.385 108.800 -0.227 0.000 2.369 1550 G HA2 0.172 4.030 3.960 -0.170 0.000 0.293 1550 G HA3 0.172 4.030 3.960 -0.170 0.000 0.293 1550 G C -1.693 172.884 174.900 -0.540 0.000 1.301 1550 G CA -0.951 44.017 45.100 -0.220 0.000 0.913 1550 G HN 0.531 nan 8.290 nan 0.000 0.540 1551 H N -1.579 117.308 119.070 -0.305 0.000 2.797 1551 H HA 0.778 5.231 4.556 -0.171 0.000 0.372 1551 H C 0.938 176.074 175.328 -0.320 0.000 1.168 1551 H CA -0.607 55.085 56.048 -0.593 0.000 1.163 1551 H CB 2.196 31.048 29.762 -1.516 0.000 1.778 1551 H HN 0.380 nan 8.280 nan 0.000 0.551 1552 I N -0.585 119.921 120.570 -0.105 0.000 3.878 1552 I HA 0.175 4.243 4.170 -0.170 0.000 0.273 1552 I C -0.939 175.412 176.117 0.391 0.000 1.165 1552 I CA 0.016 61.398 61.300 0.136 0.000 1.360 1552 I CB 0.923 38.855 38.000 -0.113 0.000 1.539 1552 I HN 0.362 nan 8.210 nan 0.000 0.447 1553 Y N -0.214 120.201 120.300 0.192 0.000 2.474 1553 Y HA 0.255 4.703 4.550 -0.170 0.000 0.326 1553 Y C 0.685 176.716 175.900 0.217 0.000 1.160 1553 Y CA -0.827 57.423 58.100 0.251 0.000 1.056 1553 Y CB 1.688 40.232 38.460 0.141 0.000 1.330 1553 Y HN -0.157 nan 8.280 nan 0.000 0.447 1554 S N 3.318 118.906 115.700 -0.187 0.000 2.400 1554 S HA -0.186 4.181 4.470 -0.170 0.000 0.232 1554 S C 1.912 176.455 174.600 -0.096 0.000 1.025 1554 S CA 1.785 59.937 58.200 -0.081 0.000 0.993 1554 S CB -0.193 62.933 63.200 -0.125 0.000 0.808 1554 S HN 0.739 nan 8.310 nan 0.000 0.478 1555 R N 0.909 121.317 120.500 -0.154 0.000 2.096 1555 R HA -0.019 4.219 4.340 -0.170 0.000 0.235 1555 R C 1.943 178.280 176.300 0.063 0.000 1.127 1555 R CA 1.169 57.286 56.100 0.029 0.000 0.968 1555 R CB -0.281 30.119 30.300 0.166 0.000 0.861 1555 R HN 0.372 nan 8.270 nan 0.000 0.440 1556 L N -1.036 120.260 121.223 0.121 0.000 2.156 1556 L HA 0.167 4.405 4.340 -0.170 0.000 0.208 1556 L C 0.854 177.727 176.870 0.005 0.000 1.095 1556 L CA 0.631 55.504 54.840 0.055 0.000 0.770 1556 L CB 0.027 42.117 42.059 0.051 0.000 0.914 1556 L HN 0.391 nan 8.230 nan 0.000 0.439 1557 G N -0.027 108.783 108.800 0.017 0.000 2.405 1557 G HA2 0.107 3.965 3.960 -0.170 0.000 0.312 1557 G HA3 0.107 3.965 3.960 -0.170 0.000 0.312 1557 G C -1.943 172.986 174.900 0.048 0.000 1.579 1557 G CA -0.591 44.519 45.100 0.015 0.000 0.933 1557 G HN -0.060 nan 8.290 nan 0.000 0.628 1558 N N 3.053 121.762 118.700 0.015 0.000 2.346 1558 N HA 0.469 5.106 4.740 -0.170 0.000 0.289 1558 N C -2.015 173.423 175.510 -0.121 0.000 1.027 1558 N CA -1.932 51.107 53.050 -0.018 0.000 0.864 1558 N CB 3.525 42.043 38.487 0.052 0.000 1.370 1558 N HN 0.046 nan 8.380 nan 0.000 0.481 1559 P HA -0.051 nan 4.420 nan 0.000 0.216 1559 P C 1.017 178.277 177.300 -0.066 0.000 1.150 1559 P CA 1.484 64.369 63.100 -0.358 0.000 0.837 1559 P CB 0.318 31.487 31.700 -0.885 0.000 0.786 1560 T N -0.923 113.720 114.554 0.148 0.000 2.777 1560 T HA -0.069 4.179 4.350 -0.170 0.000 0.266 1560 T C 1.836 176.588 174.700 0.088 0.000 1.040 1560 T CA 1.086 63.332 62.100 0.244 0.000 1.141 1560 T CB -0.944 68.159 68.868 0.391 0.000 0.868 1560 T HN -0.107 nan 8.240 nan 0.000 0.444 1561 V N 1.644 121.603 119.914 0.074 0.000 2.295 1561 V HA -0.169 3.849 4.120 -0.170 0.000 0.246 1561 V C 2.446 178.574 176.094 0.056 0.000 1.049 1561 V CA 1.669 64.016 62.300 0.078 0.000 1.024 1561 V CB -0.638 31.211 31.823 0.043 0.000 0.648 1561 V HN 0.531 nan 8.190 nan 0.000 0.447 1562 E N -0.403 119.786 120.200 -0.018 0.000 2.118 1562 E HA -0.245 4.003 4.350 -0.170 0.000 0.195 1562 E C 2.397 178.930 176.600 -0.111 0.000 0.992 1562 E CA 1.128 57.494 56.400 -0.057 0.000 0.804 1562 E CB -0.166 29.504 29.700 -0.051 0.000 0.741 1562 E HN 0.540 nan 8.360 nan 0.000 0.458 1563 Q N -0.125 119.559 119.800 -0.193 0.000 2.084 1563 Q HA -0.173 4.065 4.340 -0.170 0.000 0.202 1563 Q C 2.046 177.974 176.000 -0.120 0.000 0.978 1563 Q CA 1.194 56.832 55.803 -0.275 0.000 0.844 1563 Q CB -0.383 28.003 28.738 -0.586 0.000 0.898 1563 Q HN 0.366 nan 8.270 nan 0.000 0.426 1564 F N 1.802 121.666 119.950 -0.144 0.000 2.146 1564 F HA -0.147 4.277 4.527 -0.173 0.000 0.298 1564 F C 2.006 177.763 175.800 -0.072 0.000 1.096 1564 F CA 1.271 59.215 58.000 -0.093 0.000 1.275 1564 F CB 0.122 39.086 39.000 -0.059 0.000 1.008 1564 F HN 0.073 nan 8.300 nan 0.000 0.480 1565 E N 0.284 120.355 120.200 -0.213 0.000 2.058 1565 E HA -0.268 3.980 4.350 -0.170 0.000 0.194 1565 E C 2.027 178.469 176.600 -0.263 0.000 0.997 1565 E CA 1.887 58.126 56.400 -0.268 0.000 0.801 1565 E CB -0.277 29.360 29.700 -0.105 0.000 0.746 1565 E HN 0.597 nan 8.360 nan 0.000 0.450 1566 E N 0.261 120.342 120.200 -0.197 0.000 2.110 1566 E HA -0.179 4.069 4.350 -0.170 0.000 0.193 1566 E C 2.069 178.562 176.600 -0.179 0.000 0.988 1566 E CA 1.023 57.327 56.400 -0.160 0.000 0.804 1566 E CB -0.042 29.578 29.700 -0.133 0.000 0.745 1566 E HN 0.261 nan 8.360 nan 0.000 0.458 1567 M N 0.056 119.519 119.600 -0.228 0.000 2.086 1567 M HA -0.179 4.199 4.480 -0.170 0.000 0.261 1567 M C 2.352 178.504 176.300 -0.247 0.000 1.067 1567 M CA 1.227 56.399 55.300 -0.213 0.000 1.116 1567 M CB -0.138 32.342 32.600 -0.200 0.000 1.348 1567 M HN 0.026 nan 8.290 nan 0.000 0.407 1568 V N -0.638 119.041 119.914 -0.392 0.000 2.358 1568 V HA -0.294 3.724 4.120 -0.170 0.000 0.246 1568 V C 2.446 178.433 176.094 -0.179 0.000 1.047 1568 V CA 1.725 63.831 62.300 -0.324 0.000 1.035 1568 V CB -0.642 30.910 31.823 -0.452 0.000 0.658 1568 V HN 0.693 nan 8.190 nan 0.000 0.452 1569 C N 1.059 120.260 119.300 -0.165 0.000 2.413 1569 C HA -0.187 4.171 4.460 -0.170 0.000 0.276 1569 C C 3.405 178.351 174.990 -0.074 0.000 1.248 1569 C CA 1.728 60.691 59.018 -0.093 0.000 1.742 1569 C CB -1.094 26.595 27.740 -0.085 0.000 2.017 1569 C HN 0.782 nan 8.230 nan 0.000 0.481 1570 S N 0.994 116.641 115.700 -0.088 0.000 2.370 1570 S HA -0.137 4.231 4.470 -0.170 0.000 0.226 1570 S C 1.642 176.207 174.600 -0.058 0.000 1.033 1570 S CA 2.015 60.175 58.200 -0.067 0.000 1.011 1570 S CB -0.587 62.572 63.200 -0.068 0.000 0.852 1570 S HN 0.551 nan 8.310 nan 0.000 0.457 1571 I N 1.961 122.486 120.570 -0.074 0.000 2.617 1571 I HA 0.080 4.148 4.170 -0.170 0.000 0.256 1571 I C 2.385 178.477 176.117 -0.041 0.000 1.167 1571 I CA 0.747 62.008 61.300 -0.065 0.000 1.469 1571 I CB -1.321 36.625 38.000 -0.091 0.000 1.098 1571 I HN 0.369 nan 8.210 nan 0.000 0.436 1572 E N 0.890 121.072 120.200 -0.031 0.000 2.371 1572 E HA 0.044 4.292 4.350 -0.170 0.000 0.194 1572 E C 1.347 177.945 176.600 -0.002 0.000 1.012 1572 E CA 0.709 57.110 56.400 0.002 0.000 0.860 1572 E CB 0.069 29.783 29.700 0.024 0.000 0.811 1572 E HN 0.506 nan 8.360 nan 0.000 0.502 1573 G N 1.843 110.635 108.800 -0.015 0.000 2.273 1573 G HA2 -0.267 3.591 3.960 -0.170 0.000 0.280 1573 G HA3 -0.267 3.591 3.960 -0.170 0.000 0.280 1573 G C 0.332 175.227 174.900 -0.007 0.000 1.047 1573 G CA 0.421 45.514 45.100 -0.013 0.000 0.869 1573 G HN 0.478 nan 8.290 nan 0.000 0.502 1574 A N -0.821 121.994 122.820 -0.007 0.000 2.252 1574 A HA 0.948 5.165 4.320 -0.170 0.000 0.305 1574 A C 1.560 179.143 177.584 -0.001 0.000 1.097 1574 A CA 0.538 52.577 52.037 0.002 0.000 0.849 1574 A CB 0.797 19.803 19.000 0.009 0.000 1.142 1574 A HN 1.649 nan 8.150 nan 0.000 0.499 1575 A N -0.519 122.306 122.820 0.008 0.000 2.016 1575 A HA 0.492 4.710 4.320 -0.170 0.000 0.217 1575 A C 1.084 178.671 177.584 0.005 0.000 1.162 1575 A CA 1.467 53.508 52.037 0.007 0.000 0.662 1575 A CB -0.414 18.596 19.000 0.017 0.000 0.812 1575 A HN 2.110 nan 8.150 nan 0.000 0.450 1576 G N -2.359 106.448 108.800 0.012 0.000 2.547 1576 G HA2 0.495 4.353 3.960 -0.170 0.000 0.291 1576 G HA3 0.495 4.353 3.960 -0.170 0.000 0.291 1576 G C -1.262 173.648 174.900 0.016 0.000 1.471 1576 G CA -0.008 45.095 45.100 0.005 0.000 0.798 1576 G HN 0.229 nan 8.290 nan 0.000 0.504 1577 S N -1.187 114.510 115.700 -0.006 0.000 2.542 1577 S HA 0.880 5.248 4.470 -0.170 0.000 0.293 1577 S C -0.257 174.342 174.600 -0.003 0.000 1.089 1577 S CA -0.155 58.048 58.200 0.006 0.000 0.961 1577 S CB 1.870 65.036 63.200 -0.057 0.000 1.062 1577 S HN 1.627 nan 8.310 nan 0.000 0.483 1578 A N 1.352 124.192 122.820 0.033 0.000 2.343 1578 A HA 0.859 5.077 4.320 -0.170 0.000 0.308 1578 A C -0.294 177.177 177.584 -0.188 0.000 1.092 1578 A CA -0.682 51.286 52.037 -0.115 0.000 0.751 1578 A CB 0.952 19.884 19.000 -0.113 0.000 1.203 1578 A HN 1.014 nan 8.150 nan 0.000 0.452 1579 A N 1.552 124.220 122.820 -0.254 0.000 2.295 1579 A HA 0.917 5.135 4.320 -0.170 0.000 0.318 1579 A C -0.830 176.484 177.584 -0.450 0.000 1.134 1579 A CA -0.203 51.791 52.037 -0.072 0.000 0.827 1579 A CB 0.295 19.409 19.000 0.189 0.000 1.136 1579 A HN 0.776 nan 8.150 nan 0.000 0.493 1580 F N -0.874 119.155 119.950 0.132 0.000 2.650 1580 F HA 0.530 4.954 4.527 -0.172 0.000 0.320 1580 F C 1.454 177.292 175.800 0.062 0.000 1.091 1580 F CA 0.002 58.058 58.000 0.093 0.000 0.962 1580 F CB 1.888 40.948 39.000 0.101 0.000 1.363 1580 F HN 0.618 nan 8.300 nan 0.000 0.482 1581 G N -0.267 108.687 108.800 0.256 0.000 2.559 1581 G HA2 0.282 4.140 3.960 -0.170 0.000 0.216 1581 G HA3 0.282 4.140 3.960 -0.170 0.000 0.216 1581 G C -0.142 174.829 174.900 0.119 0.000 1.126 1581 G CA 0.940 46.123 45.100 0.137 0.000 0.778 1581 G HN 0.678 nan 8.290 nan 0.000 0.543 1582 S N -3.652 112.142 115.700 0.156 0.000 2.595 1582 S HA 0.496 4.864 4.470 -0.170 0.000 0.270 1582 S C 1.061 175.713 174.600 0.087 0.000 1.145 1582 S CA 0.227 58.483 58.200 0.093 0.000 0.825 1582 S CB 0.942 64.175 63.200 0.057 0.000 1.107 1582 S HN 0.461 nan 8.310 nan 0.000 0.461 1583 G N 0.934 109.757 108.800 0.038 0.000 2.469 1583 G HA2 -0.195 3.663 3.960 -0.170 0.000 0.219 1583 G HA3 -0.195 3.663 3.960 -0.170 0.000 0.219 1583 G C 1.160 176.033 174.900 -0.045 0.000 1.150 1583 G CA 1.421 46.519 45.100 -0.003 0.000 0.763 1583 G HN 0.573 nan 8.290 nan 0.000 0.561 1584 M N 1.095 120.674 119.600 -0.034 0.000 2.213 1584 M HA 0.024 4.402 4.480 -0.170 0.000 0.263 1584 M C 2.783 179.039 176.300 -0.073 0.000 1.062 1584 M CA 1.046 56.328 55.300 -0.030 0.000 1.105 1584 M CB -1.686 30.925 32.600 0.019 0.000 1.385 1584 M HN 0.266 nan 8.290 nan 0.000 0.417 1585 G N -0.130 108.626 108.800 -0.074 0.000 2.418 1585 G HA2 -0.071 3.787 3.960 -0.170 0.000 0.217 1585 G HA3 -0.071 3.787 3.960 -0.170 0.000 0.217 1585 G C 1.670 176.177 174.900 -0.654 0.000 1.158 1585 G CA 1.159 46.167 45.100 -0.153 0.000 0.771 1585 G HN 0.541 nan 8.290 nan 0.000 0.545 1586 A N 0.505 122.897 122.820 -0.712 0.000 1.930 1586 A HA 0.100 4.318 4.320 -0.170 0.000 0.217 1586 A C 2.397 179.724 177.584 -0.428 0.000 1.175 1586 A CA 1.184 52.648 52.037 -0.956 0.000 0.627 1586 A CB -0.287 18.580 19.000 -0.223 0.000 0.815 1586 A HN 0.386 nan 8.150 nan 0.000 0.443 1587 I N 0.357 120.811 120.570 -0.194 0.000 2.193 1587 I HA -0.222 3.846 4.170 -0.170 0.000 0.240 1587 I C 2.958 179.049 176.117 -0.043 0.000 1.084 1587 I CA 1.527 62.813 61.300 -0.023 0.000 1.365 1587 I CB -0.294 37.709 38.000 0.006 0.000 1.064 1587 I HN 0.505 nan 8.210 nan 0.000 0.410 1588 S N -0.029 115.622 115.700 -0.082 0.000 2.382 1588 S HA -0.163 4.205 4.470 -0.170 0.000 0.228 1588 S C 2.049 176.519 174.600 -0.216 0.000 1.027 1588 S CA 1.616 59.788 58.200 -0.046 0.000 0.991 1588 S CB -0.601 62.615 63.200 0.027 0.000 0.823 1588 S HN 0.324 nan 8.310 nan 0.000 0.469 1589 S N 1.561 117.083 115.700 -0.297 0.000 2.423 1589 S HA 0.074 4.442 4.470 -0.170 0.000 0.231 1589 S C 1.887 176.285 174.600 -0.336 0.000 1.014 1589 S CA 1.027 58.960 58.200 -0.444 0.000 0.965 1589 S CB -0.340 62.749 63.200 -0.184 0.000 0.785 1589 S HN 0.641 nan 8.310 nan 0.000 0.495 1590 S N 0.694 116.318 115.700 -0.127 0.000 2.548 1590 S HA 0.028 4.396 4.470 -0.170 0.000 0.215 1590 S C 1.911 176.642 174.600 0.218 0.000 0.976 1590 S CA 0.844 59.115 58.200 0.118 0.000 0.908 1590 S CB 0.084 63.375 63.200 0.153 0.000 0.781 1590 S HN 0.823 nan 8.310 nan 0.000 0.519 1591 T N -0.213 114.378 114.554 0.063 0.000 3.151 1591 T HA 0.280 4.528 4.350 -0.170 0.000 0.239 1591 T C 1.573 176.268 174.700 -0.010 0.000 0.979 1591 T CA -0.129 62.026 62.100 0.092 0.000 1.194 1591 T CB -0.662 68.242 68.868 0.060 0.000 0.982 1591 T HN 0.193 nan 8.240 nan 0.000 0.428 1592 L N 1.570 122.690 121.223 -0.172 0.000 2.465 1592 L HA 0.260 4.498 4.340 -0.170 0.000 0.224 1592 L C 2.959 179.580 176.870 -0.416 0.000 1.145 1592 L CA 0.656 55.369 54.840 -0.212 0.000 0.834 1592 L CB -0.511 41.480 42.059 -0.113 0.000 0.944 1592 L HN 0.444 nan 8.230 nan 0.000 0.451 1593 A N -0.643 121.743 122.820 -0.723 0.000 2.119 1593 A HA -0.054 4.164 4.320 -0.170 0.000 0.217 1593 A C 1.742 178.928 177.584 -0.663 0.000 1.153 1593 A CA 1.229 52.840 52.037 -0.711 0.000 0.692 1593 A CB -0.300 18.180 19.000 -0.866 0.000 0.799 1593 A HN 0.410 nan 8.150 nan 0.000 0.458 1594 F N -1.337 118.576 119.950 -0.061 0.000 2.619 1594 F HA 0.361 4.785 4.527 -0.170 0.000 0.281 1594 F C 0.527 176.317 175.800 -0.016 0.000 1.065 1594 F CA -0.422 57.567 58.000 -0.019 0.000 1.304 1594 F CB 0.117 39.106 39.000 -0.019 0.000 1.059 1594 F HN -0.121 nan 8.300 nan 0.000 0.648 1595 L N 2.311 123.615 121.223 0.136 0.000 2.371 1595 L HA 0.340 4.578 4.340 -0.170 0.000 0.272 1595 L C -0.147 176.762 176.870 0.064 0.000 1.124 1595 L CA -0.245 54.641 54.840 0.077 0.000 0.816 1595 L CB 0.969 43.045 42.059 0.029 0.000 1.129 1595 L HN 0.201 nan 8.230 nan 0.000 0.448 1596 Q N 2.155 121.991 119.800 0.060 0.000 2.605 1596 Q HA 0.366 4.604 4.340 -0.170 0.000 0.296 1596 Q C -0.984 175.055 176.000 0.064 0.000 1.056 1596 Q CA -1.196 54.643 55.803 0.060 0.000 0.778 1596 Q CB 1.751 30.519 28.738 0.050 0.000 1.497 1596 Q HN 0.376 nan 8.270 nan 0.000 0.443 1597 K N -0.236 120.207 120.400 0.071 0.000 2.473 1597 K HA 0.038 4.256 4.320 -0.170 0.000 0.277 1597 K C 0.528 177.156 176.600 0.047 0.000 1.052 1597 K CA 1.824 58.153 56.287 0.069 0.000 1.114 1597 K CB -0.708 31.832 32.500 0.067 0.000 0.869 1597 K HN 0.930 nan 8.250 nan 0.000 0.481 1598 G N 3.232 112.057 108.800 0.041 0.000 2.213 1598 G HA2 -0.190 3.668 3.960 -0.170 0.000 0.226 1598 G HA3 -0.190 3.668 3.960 -0.170 0.000 0.226 1598 G C -0.359 174.558 174.900 0.028 0.000 0.992 1598 G CA 0.114 45.231 45.100 0.029 0.000 0.632 1598 G HN 0.708 nan 8.290 nan 0.000 0.511 1599 D N 0.109 120.529 120.400 0.032 0.000 2.329 1599 D HA 0.579 5.117 4.640 -0.170 0.000 0.246 1599 D C 0.118 176.442 176.300 0.041 0.000 1.111 1599 D CA 0.134 54.150 54.000 0.026 0.000 0.941 1599 D CB 1.098 41.905 40.800 0.013 0.000 1.169 1599 D HN 0.405 nan 8.370 nan 0.000 0.441 1600 H N -0.018 118.984 119.070 -0.113 0.000 2.538 1600 H HA 0.533 4.987 4.556 -0.170 0.000 0.353 1600 H C -1.666 173.537 175.328 -0.208 0.000 1.109 1600 H CA -0.927 55.027 56.048 -0.156 0.000 1.192 1600 H CB 0.941 30.594 29.762 -0.181 0.000 1.555 1600 H HN 0.146 nan 8.280 nan 0.000 0.518 1601 L N 6.078 126.894 121.223 -0.677 0.000 2.333 1601 L HA 0.514 4.752 4.340 -0.170 0.000 0.280 1601 L C -1.432 174.986 176.870 -0.754 0.000 1.004 1601 L CA -0.405 54.061 54.840 -0.624 0.000 0.820 1601 L CB 0.942 42.716 42.059 -0.474 0.000 1.247 1601 L HN 0.723 nan 8.230 nan 0.000 0.416 1602 I N 5.274 125.495 120.570 -0.581 0.000 2.315 1602 I HA 0.661 4.729 4.170 -0.170 0.000 0.291 1602 I C 0.077 176.107 176.117 -0.146 0.000 1.006 1602 I CA -0.248 60.855 61.300 -0.329 0.000 1.265 1602 I CB 1.456 39.310 38.000 -0.243 0.000 1.387 1602 I HN 0.828 nan 8.210 nan 0.000 0.475 1603 A N 4.753 127.541 122.820 -0.053 0.000 2.380 1603 A HA 0.797 5.015 4.320 -0.170 0.000 0.315 1603 A C 0.168 177.845 177.584 0.155 0.000 1.101 1603 A CA -0.620 51.492 52.037 0.125 0.000 0.771 1603 A CB 1.185 20.306 19.000 0.202 0.000 1.287 1603 A HN 0.759 nan 8.150 nan 0.000 0.436 1604 G N 0.373 109.297 108.800 0.208 0.000 2.474 1604 G HA2 0.283 4.141 3.960 -0.170 0.000 0.233 1604 G HA3 0.283 4.141 3.960 -0.170 0.000 0.233 1604 G C 0.333 175.318 174.900 0.141 0.000 1.278 1604 G CA 0.557 45.747 45.100 0.150 0.000 0.861 1604 G HN 0.857 nan 8.290 nan 0.000 0.567 1605 D N -1.148 119.310 120.400 0.096 0.000 2.323 1605 D HA -0.044 4.494 4.640 -0.170 0.000 0.209 1605 D C 1.292 177.634 176.300 0.069 0.000 0.973 1605 D CA 0.874 54.921 54.000 0.078 0.000 0.874 1605 D CB -0.049 40.784 40.800 0.055 0.000 0.930 1605 D HN 0.432 nan 8.370 nan 0.000 0.521 1606 T N -0.978 113.616 114.554 0.067 0.000 2.833 1606 T HA 0.634 4.882 4.350 -0.170 0.000 0.297 1606 T C -0.501 174.238 174.700 0.065 0.000 1.015 1606 T CA -0.869 61.260 62.100 0.047 0.000 0.963 1606 T CB 0.661 69.535 68.868 0.011 0.000 0.955 1606 T HN 0.073 nan 8.240 nan 0.000 0.449 1607 L N 2.624 123.904 121.223 0.094 0.000 2.409 1607 L HA 0.541 4.779 4.340 -0.170 0.000 0.255 1607 L C -0.578 176.397 176.870 0.175 0.000 1.027 1607 L CA -1.830 53.080 54.840 0.118 0.000 0.834 1607 L CB 1.746 43.862 42.059 0.095 0.000 1.426 1607 L HN 0.668 nan 8.230 nan 0.000 0.411 1608 Y N 0.596 120.918 120.300 0.036 0.000 2.903 1608 Y HA -0.018 4.429 4.550 -0.171 0.000 0.338 1608 Y C 1.259 177.075 175.900 -0.140 0.000 1.265 1608 Y CA 1.054 59.150 58.100 -0.008 0.000 1.532 1608 Y CB 1.190 39.634 38.460 -0.028 0.000 1.293 1608 Y HN 0.683 nan 8.280 nan 0.000 0.609 1609 G N 2.904 111.011 108.800 -1.154 0.000 2.446 1609 G HA2 -0.288 3.570 3.960 -0.170 0.000 0.217 1609 G HA3 -0.288 3.570 3.960 -0.170 0.000 0.217 1609 G C 1.477 176.049 174.900 -0.546 0.000 1.168 1609 G CA 1.073 45.660 45.100 -0.855 0.000 0.771 1609 G HN 0.807 nan 8.290 nan 0.000 0.551 1610 C N 0.624 119.558 119.300 -0.611 0.000 2.432 1610 C HA 0.040 4.398 4.460 -0.170 0.000 0.280 1610 C C 3.195 178.129 174.990 -0.094 0.000 1.353 1610 C CA 1.326 60.252 59.018 -0.154 0.000 1.766 1610 C CB -0.989 26.812 27.740 0.100 0.000 1.924 1610 C HN 0.447 nan 8.230 nan 0.000 0.509 1611 T N 1.099 115.599 114.554 -0.091 0.000 2.746 1611 T HA -0.132 4.116 4.350 -0.170 0.000 0.267 1611 T C 1.869 176.225 174.700 -0.573 0.000 1.039 1611 T CA 1.488 63.335 62.100 -0.421 0.000 1.142 1611 T CB -0.278 68.358 68.868 -0.387 0.000 0.866 1611 T HN 0.384 nan 8.240 nan 0.000 0.444 1612 V N 1.366 121.102 119.914 -0.297 0.000 2.343 1612 V HA -0.179 3.839 4.120 -0.170 0.000 0.247 1612 V C 2.715 178.751 176.094 -0.096 0.000 1.051 1612 V CA 1.950 64.154 62.300 -0.160 0.000 1.036 1612 V CB -0.860 30.905 31.823 -0.096 0.000 0.654 1612 V HN 0.509 nan 8.190 nan 0.000 0.451 1613 S N -0.196 115.443 115.700 -0.103 0.000 2.356 1613 S HA -0.201 4.167 4.470 -0.170 0.000 0.223 1613 S C 1.977 176.636 174.600 0.097 0.000 1.032 1613 S CA 1.975 60.160 58.200 -0.025 0.000 1.005 1613 S CB -0.374 62.812 63.200 -0.022 0.000 0.867 1613 S HN 0.417 nan 8.310 nan 0.000 0.449 1614 L N 0.994 122.287 121.223 0.117 0.000 1.990 1614 L HA -0.010 4.228 4.340 -0.170 0.000 0.213 1614 L C 2.085 179.164 176.870 0.349 0.000 1.072 1614 L CA 2.065 57.079 54.840 0.290 0.000 0.755 1614 L CB -0.915 41.201 42.059 0.094 0.000 0.889 1614 L HN 0.520 nan 8.230 nan 0.000 0.432 1615 F N -1.205 118.758 119.950 0.021 0.000 2.259 1615 F HA -0.146 4.278 4.527 -0.171 0.000 0.298 1615 F C 2.264 178.041 175.800 -0.038 0.000 1.088 1615 F CA 0.828 58.809 58.000 -0.031 0.000 1.358 1615 F CB -0.423 38.527 39.000 -0.084 0.000 1.040 1615 F HN 0.340 nan 8.300 nan 0.000 0.505 1616 T N -4.412 110.230 114.554 0.146 0.000 3.040 1616 T HA -0.046 4.201 4.350 -0.170 0.000 0.252 1616 T C 1.637 176.311 174.700 -0.043 0.000 1.064 1616 T CA 0.479 62.602 62.100 0.039 0.000 1.110 1616 T CB -0.302 68.580 68.868 0.023 0.000 0.921 1616 T HN 0.315 nan 8.240 nan 0.000 0.480 1617 H N -0.765 118.190 119.070 -0.193 0.000 2.379 1617 H HA 0.142 4.595 4.556 -0.170 0.000 0.308 1617 H C 1.544 176.549 175.328 -0.539 0.000 1.047 1617 H CA 0.742 56.520 56.048 -0.450 0.000 1.371 1617 H CB 0.078 29.418 29.762 -0.703 0.000 1.449 1617 H HN 0.435 nan 8.280 nan 0.000 0.564 1618 W N 1.258 122.488 121.300 -0.117 0.000 2.488 1618 W HA 0.065 4.622 4.660 -0.171 0.000 0.304 1618 W C 2.661 178.871 176.519 -0.515 0.000 1.175 1618 W CA -0.035 57.101 57.345 -0.349 0.000 1.365 1618 W CB -0.340 29.068 29.460 -0.086 0.000 1.131 1618 W HN 0.029 nan 8.180 nan 0.000 0.520 1619 L N 0.372 121.632 121.223 0.061 0.000 2.043 1619 L HA -0.194 4.044 4.340 -0.170 0.000 0.212 1619 L C -0.552 176.288 176.870 -0.050 0.000 1.075 1619 L CA 1.549 56.433 54.840 0.074 0.000 0.752 1619 L CB -2.452 39.658 42.059 0.083 0.000 0.891 1619 L HN -0.045 nan 8.230 nan 0.000 0.432 1620 P HA -0.088 nan 4.420 nan 0.000 0.223 1620 P C 1.375 178.574 177.300 -0.168 0.000 1.151 1620 P CA 1.067 64.096 63.100 -0.118 0.000 0.787 1620 P CB -0.053 31.571 31.700 -0.127 0.000 0.788 1621 R N -1.360 118.936 120.500 -0.340 0.000 2.189 1621 R HA 0.015 4.253 4.340 -0.170 0.000 0.223 1621 R C 1.236 177.455 176.300 -0.135 0.000 1.092 1621 R CA 0.953 56.851 56.100 -0.337 0.000 0.989 1621 R CB -0.541 29.439 30.300 -0.534 0.000 0.876 1621 R HN 0.306 nan 8.270 nan 0.000 0.457 1622 F N -0.532 119.452 119.950 0.056 0.000 2.641 1622 F HA 0.263 4.688 4.527 -0.171 0.000 0.302 1622 F C 1.293 177.115 175.800 0.035 0.000 1.098 1622 F CA -0.178 57.859 58.000 0.061 0.000 1.318 1622 F CB 1.032 40.084 39.000 0.087 0.000 1.035 1622 F HN 0.129 nan 8.300 nan 0.000 0.551 1623 G N 1.696 110.580 108.800 0.140 0.000 2.143 1623 G HA2 -0.312 3.546 3.960 -0.170 0.000 0.248 1623 G HA3 -0.312 3.546 3.960 -0.170 0.000 0.248 1623 G C -0.029 174.911 174.900 0.067 0.000 0.991 1623 G CA -0.313 44.836 45.100 0.082 0.000 0.689 1623 G HN 0.356 nan 8.290 nan 0.000 0.522 1624 I N 1.148 121.760 120.570 0.070 0.000 2.315 1624 I HA 0.308 4.376 4.170 -0.170 0.000 0.291 1624 I C 0.460 176.584 176.117 0.011 0.000 1.006 1624 I CA -0.626 60.699 61.300 0.042 0.000 1.265 1624 I CB 1.100 39.130 38.000 0.050 0.000 1.387 1624 I HN 0.118 nan 8.210 nan 0.000 0.475 1625 E N 5.404 125.623 120.200 0.031 0.000 2.316 1625 E HA 0.369 4.617 4.350 -0.170 0.000 0.275 1625 E C -1.029 175.598 176.600 0.045 0.000 1.029 1625 E CA -0.317 56.124 56.400 0.069 0.000 0.871 1625 E CB 1.522 31.301 29.700 0.132 0.000 1.022 1625 E HN 0.266 nan 8.360 nan 0.000 0.418 1626 V N 3.793 123.712 119.914 0.008 0.000 2.577 1626 V HA 0.238 4.256 4.120 -0.170 0.000 0.303 1626 V C -0.765 175.324 176.094 -0.008 0.000 1.042 1626 V CA -0.913 61.335 62.300 -0.086 0.000 0.872 1626 V CB 1.986 33.744 31.823 -0.109 0.000 0.998 1626 V HN 0.649 nan 8.190 nan 0.000 0.423 1627 D N 4.550 124.933 120.400 -0.027 0.000 2.408 1627 D HA 0.471 5.009 4.640 -0.170 0.000 0.243 1627 D C -0.577 175.727 176.300 0.006 0.000 1.075 1627 D CA -0.259 53.761 54.000 0.034 0.000 0.832 1627 D CB 2.541 43.410 40.800 0.115 0.000 1.162 1627 D HN 0.318 nan 8.370 nan 0.000 0.515 1628 L N 3.922 125.167 121.223 0.037 0.000 2.265 1628 L HA 0.519 4.756 4.340 -0.170 0.000 0.288 1628 L C 0.479 177.382 176.870 0.055 0.000 1.058 1628 L CA -0.583 54.293 54.840 0.060 0.000 0.809 1628 L CB 0.388 42.495 42.059 0.079 0.000 1.179 1628 L HN 0.329 nan 8.230 nan 0.000 0.429 1629 I N -0.944 119.661 120.570 0.060 0.000 3.174 1629 I HA 0.491 4.559 4.170 -0.170 0.000 0.313 1629 I C -0.646 175.507 176.117 0.060 0.000 1.155 1629 I CA -1.013 60.322 61.300 0.057 0.000 0.977 1629 I CB 2.263 40.300 38.000 0.061 0.000 1.248 1629 I HN 0.318 nan 8.210 nan 0.000 0.453 1630 D N 2.083 122.514 120.400 0.052 0.000 2.383 1630 D HA 0.144 4.682 4.640 -0.170 0.000 0.245 1630 D C 1.043 177.375 176.300 0.053 0.000 1.263 1630 D CA 0.049 54.077 54.000 0.047 0.000 0.936 1630 D CB 0.700 41.521 40.800 0.034 0.000 1.053 1630 D HN 0.719 nan 8.370 nan 0.000 0.507 1631 T N -0.401 114.189 114.554 0.060 0.000 3.148 1631 T HA -0.077 4.171 4.350 -0.170 0.000 0.253 1631 T C 1.675 176.407 174.700 0.053 0.000 1.134 1631 T CA 0.375 62.513 62.100 0.064 0.000 1.051 1631 T CB -0.316 68.595 68.868 0.071 0.000 0.959 1631 T HN 0.255 nan 8.240 nan 0.000 0.525 1632 S N 0.338 116.064 115.700 0.044 0.000 2.555 1632 S HA -0.001 4.367 4.470 -0.170 0.000 0.230 1632 S C 0.378 174.995 174.600 0.028 0.000 0.978 1632 S CA 0.061 58.281 58.200 0.034 0.000 0.934 1632 S CB -0.290 62.922 63.200 0.020 0.000 0.766 1632 S HN 0.516 nan 8.310 nan 0.000 0.533 1633 D N 0.549 120.969 120.400 0.033 0.000 2.505 1633 D HA 0.290 4.827 4.640 -0.170 0.000 0.250 1633 D C 0.643 176.967 176.300 0.041 0.000 1.164 1633 D CA -0.594 53.424 54.000 0.030 0.000 0.870 1633 D CB 1.838 42.653 40.800 0.026 0.000 1.160 1633 D HN -0.085 nan 8.370 nan 0.000 0.549 1634 V N 4.487 124.422 119.914 0.036 0.000 2.407 1634 V HA -0.166 3.852 4.120 -0.170 0.000 0.248 1634 V C 1.704 177.825 176.094 0.045 0.000 1.055 1634 V CA 1.785 64.109 62.300 0.041 0.000 1.049 1634 V CB -0.116 31.721 31.823 0.024 0.000 0.662 1634 V HN 0.505 nan 8.190 nan 0.000 0.455 1635 E N 0.181 120.401 120.200 0.034 0.000 2.118 1635 E HA -0.238 4.010 4.350 -0.170 0.000 0.195 1635 E C 2.211 178.843 176.600 0.055 0.000 0.992 1635 E CA 1.408 57.828 56.400 0.034 0.000 0.804 1635 E CB -0.320 29.393 29.700 0.023 0.000 0.741 1635 E HN 0.628 nan 8.360 nan 0.000 0.458 1636 K N 0.366 120.801 120.400 0.058 0.000 2.148 1636 K HA -0.045 4.173 4.320 -0.170 0.000 0.204 1636 K C 2.178 178.841 176.600 0.105 0.000 1.050 1636 K CA 0.760 57.089 56.287 0.070 0.000 0.942 1636 K CB 0.080 32.614 32.500 0.057 0.000 0.724 1636 K HN -0.032 nan 8.250 nan 0.000 0.446 1637 V N 1.643 121.631 119.914 0.123 0.000 2.307 1637 V HA -0.233 3.785 4.120 -0.170 0.000 0.245 1637 V C 1.993 178.260 176.094 0.289 0.000 1.045 1637 V CA 1.647 64.066 62.300 0.198 0.000 1.024 1637 V CB -0.371 31.570 31.823 0.197 0.000 0.651 1637 V HN 0.261 nan 8.190 nan 0.000 0.449 1638 K N 0.554 121.063 120.400 0.181 0.000 2.063 1638 K HA -0.134 4.084 4.320 -0.170 0.000 0.208 1638 K C 2.263 178.971 176.600 0.180 0.000 1.048 1638 K CA 1.554 57.925 56.287 0.140 0.000 0.928 1638 K CB -0.423 32.088 32.500 0.019 0.000 0.713 1638 K HN 0.476 nan 8.250 nan 0.000 0.442 1639 A N 1.121 124.022 122.820 0.136 0.000 2.014 1639 A HA -0.009 4.209 4.320 -0.170 0.000 0.218 1639 A C 2.187 179.854 177.584 0.138 0.000 1.163 1639 A CA 1.527 53.632 52.037 0.113 0.000 0.652 1639 A CB -0.377 18.668 19.000 0.073 0.000 0.808 1639 A HN 0.315 nan 8.150 nan 0.000 0.449 1640 A N -1.998 120.924 122.820 0.170 0.000 2.208 1640 A HA 0.101 4.319 4.320 -0.170 0.000 0.209 1640 A C 0.823 178.524 177.584 0.195 0.000 1.161 1640 A CA -0.406 51.725 52.037 0.155 0.000 0.782 1640 A CB -0.368 18.717 19.000 0.141 0.000 0.816 1640 A HN 0.666 nan 8.150 nan 0.000 0.477 1641 W N 1.726 123.068 121.300 0.070 0.000 2.193 1641 W HA 0.258 4.815 4.660 -0.172 0.000 0.338 1641 W C -0.313 176.224 176.519 0.029 0.000 1.310 1641 W CA 0.667 58.059 57.345 0.078 0.000 1.243 1641 W CB 0.436 29.925 29.460 0.048 0.000 1.165 1641 W HN 0.109 nan 8.180 nan 0.000 0.566 1642 K N 4.437 124.810 120.400 -0.046 0.000 2.444 1642 K HA 0.257 4.474 4.320 -0.170 0.000 0.252 1642 K C -1.805 174.832 176.600 0.062 0.000 0.993 1642 K CA -1.605 54.660 56.287 -0.036 0.000 0.847 1642 K CB 1.859 34.185 32.500 -0.290 0.000 1.340 1642 K HN 0.019 nan 8.250 nan 0.000 0.446 1643 P HA -0.155 nan 4.420 nan 0.000 0.219 1643 P C 0.365 177.700 177.300 0.059 0.000 1.146 1643 P CA 1.298 64.451 63.100 0.089 0.000 0.808 1643 P CB 0.113 31.840 31.700 0.046 0.000 0.779 1644 N N -2.182 116.518 118.700 0.000 0.000 2.268 1644 N HA 0.009 4.647 4.740 -0.170 0.000 0.204 1644 N C -0.396 175.108 175.510 -0.010 0.000 1.124 1644 N CA 0.219 53.271 53.050 0.003 0.000 0.838 1644 N CB -1.039 37.447 38.487 -0.002 0.000 0.994 1644 N HN -0.104 nan 8.380 nan 0.000 0.489 1645 T N 1.702 116.198 114.554 -0.095 0.000 2.817 1645 T HA 0.126 4.374 4.350 -0.170 0.000 0.295 1645 T C 0.946 175.513 174.700 -0.221 0.000 0.958 1645 T CA -0.027 61.898 62.100 -0.291 0.000 1.157 1645 T CB 1.105 69.356 68.868 -1.027 0.000 0.898 1645 T HN 0.115 nan 8.240 nan 0.000 0.536 1646 K N 2.389 122.677 120.400 -0.188 0.000 2.402 1646 K HA 0.326 4.544 4.320 -0.170 0.000 0.203 1646 K C 0.153 176.689 176.600 -0.107 0.000 1.077 1646 K CA 0.083 56.317 56.287 -0.088 0.000 1.051 1646 K CB 0.814 33.291 32.500 -0.038 0.000 0.907 1646 K HN 0.569 nan 8.250 nan 0.000 0.554 1647 M N 0.821 120.301 119.600 -0.200 0.000 2.414 1647 M HA 0.244 4.622 4.480 -0.170 0.000 0.287 1647 M C -1.887 174.303 176.300 -0.182 0.000 1.181 1647 M CA -0.611 54.604 55.300 -0.143 0.000 0.933 1647 M CB 2.304 34.837 32.600 -0.110 0.000 1.732 1647 M HN -0.306 nan 8.290 nan 0.000 0.486 1648 V N 4.009 123.886 119.914 -0.061 0.000 2.459 1648 V HA 0.461 4.478 4.120 -0.170 0.000 0.295 1648 V C -1.501 174.625 176.094 0.053 0.000 1.029 1648 V CA -0.506 61.783 62.300 -0.017 0.000 0.874 1648 V CB 1.747 33.613 31.823 0.072 0.000 0.985 1648 V HN 0.751 nan 8.190 nan 0.000 0.438 1649 Y N 5.842 126.114 120.300 -0.046 0.000 2.328 1649 Y HA 0.743 5.193 4.550 -0.168 0.000 0.336 1649 Y C -0.886 175.061 175.900 0.079 0.000 0.960 1649 Y CA -0.725 57.394 58.100 0.032 0.000 1.134 1649 Y CB 1.250 39.753 38.460 0.070 0.000 1.166 1649 Y HN 0.515 nan 8.280 nan 0.000 0.464 1650 L N 5.247 126.298 121.223 -0.285 0.000 2.341 1650 L HA 0.599 4.837 4.340 -0.170 0.000 0.267 1650 L C -0.861 175.862 176.870 -0.245 0.000 1.009 1650 L CA -1.005 53.753 54.840 -0.137 0.000 0.819 1650 L CB 2.393 44.405 42.059 -0.078 0.000 1.323 1650 L HN 0.560 nan 8.230 nan 0.000 0.425 1651 E N 1.215 121.378 120.200 -0.063 0.000 2.244 1651 E HA 0.479 4.727 4.350 -0.170 0.000 0.260 1651 E C -1.615 174.969 176.600 -0.027 0.000 0.884 1651 E CA -0.171 56.194 56.400 -0.059 0.000 0.777 1651 E CB 2.148 31.851 29.700 0.005 0.000 1.197 1651 E HN 0.456 nan 8.360 nan 0.000 0.416 1652 S N 4.507 120.200 115.700 -0.012 0.000 2.614 1652 S HA 0.499 4.867 4.470 -0.170 0.000 0.275 1652 S C -2.801 171.853 174.600 0.091 0.000 1.161 1652 S CA -1.368 56.855 58.200 0.039 0.000 0.969 1652 S CB 1.260 64.487 63.200 0.046 0.000 1.059 1652 S HN 0.256 nan 8.310 nan 0.000 0.482 1653 P HA 0.338 nan 4.420 nan 0.000 0.269 1653 P C -0.887 176.397 177.300 -0.027 0.000 1.215 1653 P CA -0.264 62.913 63.100 0.128 0.000 0.780 1653 P CB 0.476 32.298 31.700 0.203 0.000 0.898 1654 A N 2.275 125.063 122.820 -0.053 0.000 2.332 1654 A HA 0.294 4.512 4.320 -0.170 0.000 0.258 1654 A C 0.305 177.619 177.584 -0.451 0.000 1.087 1654 A CA -0.238 51.689 52.037 -0.184 0.000 0.802 1654 A CB -0.143 18.830 19.000 -0.046 0.000 1.042 1654 A HN 0.557 nan 8.150 nan 0.000 0.489 1655 N N 1.177 119.551 118.700 -0.544 0.000 2.422 1655 N HA 0.389 5.027 4.740 -0.170 0.000 0.266 1655 N C -2.205 173.218 175.510 -0.146 0.000 1.007 1655 N CA -2.086 50.656 53.050 -0.514 0.000 0.941 1655 N CB 1.594 39.865 38.487 -0.359 0.000 1.115 1655 N HN 0.283 nan 8.380 nan 0.000 0.492 1656 P HA 0.131 nan 4.420 nan 0.000 0.281 1656 P C 0.647 177.979 177.300 0.053 0.000 1.291 1656 P CA 0.285 63.375 63.100 -0.016 0.000 0.906 1656 P CB 0.275 31.914 31.700 -0.103 0.000 1.388 1657 T N -4.031 110.525 114.554 0.003 0.000 3.088 1657 T HA 0.001 4.249 4.350 -0.170 0.000 0.259 1657 T C 1.025 175.847 174.700 0.203 0.000 1.122 1657 T CA 0.453 62.612 62.100 0.100 0.000 1.095 1657 T CB -1.554 67.363 68.868 0.082 0.000 0.930 1657 T HN 0.053 nan 8.240 nan 0.000 0.508 1658 C N 0.767 120.163 119.300 0.160 0.000 4.417 1658 C HA -0.122 4.236 4.460 -0.170 0.000 0.284 1658 C C 0.588 175.778 174.990 0.334 0.000 1.379 1658 C CA 0.207 59.329 59.018 0.174 0.000 1.918 1658 C CB -2.764 24.960 27.740 -0.026 0.000 1.280 1658 C HN 0.857 nan 8.230 nan 0.000 0.783 1659 K N 0.903 121.471 120.400 0.279 0.000 2.447 1659 K HA 0.358 4.576 4.320 -0.170 0.000 0.281 1659 K C -0.146 176.574 176.600 0.199 0.000 1.031 1659 K CA 0.301 56.737 56.287 0.248 0.000 1.019 1659 K CB 0.500 33.072 32.500 0.119 0.000 0.918 1659 K HN 0.277 nan 8.250 nan 0.000 0.476 1660 V N 4.518 124.559 119.914 0.211 0.000 2.394 1660 V HA 0.256 4.274 4.120 -0.170 0.000 0.282 1660 V C -0.356 175.796 176.094 0.097 0.000 1.031 1660 V CA -0.560 61.841 62.300 0.169 0.000 0.881 1660 V CB 1.559 33.515 31.823 0.220 0.000 0.982 1660 V HN 0.878 nan 8.190 nan 0.000 0.451 1661 S N 2.567 118.313 115.700 0.077 0.000 2.565 1661 S HA 0.291 4.659 4.470 -0.170 0.000 0.290 1661 S C -0.253 174.376 174.600 0.047 0.000 1.150 1661 S CA -0.532 57.702 58.200 0.055 0.000 1.058 1661 S CB 1.400 64.628 63.200 0.047 0.000 1.032 1661 S HN 0.857 nan 8.310 nan 0.000 0.510 1662 D N 1.989 122.413 120.400 0.039 0.000 2.470 1662 D HA 0.171 4.709 4.640 -0.170 0.000 0.226 1662 D C 0.983 177.298 176.300 0.025 0.000 1.196 1662 D CA -0.177 53.840 54.000 0.030 0.000 0.979 1662 D CB -0.400 40.415 40.800 0.025 0.000 1.059 1662 D HN 0.440 nan 8.370 nan 0.000 0.515 1663 I N 2.360 122.943 120.570 0.021 0.000 2.163 1663 I HA -0.283 3.785 4.170 -0.170 0.000 0.243 1663 I C 2.439 178.561 176.117 0.008 0.000 1.085 1663 I CA 0.994 62.301 61.300 0.012 0.000 1.347 1663 I CB -0.090 37.912 38.000 0.004 0.000 1.044 1663 I HN 0.324 nan 8.210 nan 0.000 0.408 1664 K N 0.911 121.313 120.400 0.004 0.000 2.032 1664 K HA -0.165 4.053 4.320 -0.170 0.000 0.209 1664 K C 2.159 178.757 176.600 -0.003 0.000 1.048 1664 K CA 1.701 57.985 56.287 -0.004 0.000 0.927 1664 K CB -0.460 32.035 32.500 -0.007 0.000 0.712 1664 K HN 0.405 nan 8.250 nan 0.000 0.441 1665 G N 1.031 109.832 108.800 0.002 0.000 2.418 1665 G HA2 -0.229 3.628 3.960 -0.170 0.000 0.217 1665 G HA3 -0.229 3.628 3.960 -0.170 0.000 0.217 1665 G C 1.480 176.383 174.900 0.006 0.000 1.158 1665 G CA 0.976 46.076 45.100 0.000 0.000 0.771 1665 G HN 0.263 nan 8.290 nan 0.000 0.545 1666 I N 1.297 121.881 120.570 0.022 0.000 2.315 1666 I HA -0.100 3.968 4.170 -0.170 0.000 0.248 1666 I C 3.271 179.416 176.117 0.047 0.000 1.117 1666 I CA 0.762 62.090 61.300 0.045 0.000 1.404 1666 I CB -0.184 37.856 38.000 0.067 0.000 1.071 1666 I HN 0.231 nan 8.210 nan 0.000 0.419 1667 A N 0.605 123.444 122.820 0.031 0.000 1.917 1667 A HA -0.184 4.034 4.320 -0.170 0.000 0.219 1667 A C 2.444 180.049 177.584 0.035 0.000 1.182 1667 A CA 1.959 54.015 52.037 0.032 0.000 0.633 1667 A CB -1.013 17.992 19.000 0.008 0.000 0.819 1667 A HN 0.248 nan 8.150 nan 0.000 0.448 1668 V N -0.391 119.527 119.914 0.007 0.000 2.295 1668 V HA -0.252 3.766 4.120 -0.170 0.000 0.246 1668 V C 2.586 178.677 176.094 -0.005 0.000 1.049 1668 V CA 2.054 64.355 62.300 0.002 0.000 1.024 1668 V CB -0.864 30.946 31.823 -0.021 0.000 0.648 1668 V HN 0.392 nan 8.190 nan 0.000 0.447 1669 V N -1.037 118.844 119.914 -0.055 0.000 2.287 1669 V HA -0.317 3.701 4.120 -0.170 0.000 0.248 1669 V C 2.541 178.509 176.094 -0.210 0.000 1.053 1669 V CA 2.310 64.502 62.300 -0.181 0.000 1.027 1669 V CB -0.857 30.840 31.823 -0.209 0.000 0.646 1669 V HN 0.644 nan 8.190 nan 0.000 0.447 1670 C N -0.729 118.562 119.300 -0.016 0.000 2.429 1670 C HA -0.190 4.168 4.460 -0.170 0.000 0.277 1670 C C 2.709 177.751 174.990 0.088 0.000 1.262 1670 C CA 1.313 60.406 59.018 0.125 0.000 1.733 1670 C CB -1.380 26.467 27.740 0.177 0.000 2.010 1670 C HN 0.695 nan 8.230 nan 0.000 0.483 1671 H N 1.002 120.064 119.070 -0.014 0.000 2.321 1671 H HA -0.121 4.333 4.556 -0.170 0.000 0.300 1671 H C 2.052 177.357 175.328 -0.038 0.000 1.087 1671 H CA 1.899 57.936 56.048 -0.020 0.000 1.319 1671 H CB -0.212 29.535 29.762 -0.026 0.000 1.379 1671 H HN 0.574 nan 8.280 nan 0.000 0.501 1672 E N 0.112 120.292 120.200 -0.034 0.000 2.153 1672 E HA -0.134 4.114 4.350 -0.170 0.000 0.194 1672 E C 1.880 178.385 176.600 -0.159 0.000 0.988 1672 E CA 0.760 57.094 56.400 -0.110 0.000 0.811 1672 E CB 0.125 29.765 29.700 -0.100 0.000 0.746 1672 E HN 0.457 nan 8.360 nan 0.000 0.466 1673 R N -0.853 119.547 120.500 -0.166 0.000 2.472 1673 R HA 0.161 4.399 4.340 -0.170 0.000 0.279 1673 R C 0.471 176.827 176.300 0.094 0.000 0.953 1673 R CA 0.412 56.441 56.100 -0.118 0.000 1.088 1673 R CB 1.235 31.255 30.300 -0.466 0.000 1.197 1673 R HN 0.144 nan 8.270 nan 0.000 0.536 1674 G N 1.303 110.126 108.800 0.039 0.000 2.248 1674 G HA2 -0.243 3.615 3.960 -0.170 0.000 0.263 1674 G HA3 -0.243 3.615 3.960 -0.170 0.000 0.263 1674 G C -0.204 174.772 174.900 0.128 0.000 1.082 1674 G CA 0.196 45.328 45.100 0.053 0.000 0.863 1674 G HN 0.468 nan 8.290 nan 0.000 0.495 1675 A N -0.282 122.648 122.820 0.183 0.000 2.401 1675 A HA 0.891 5.108 4.320 -0.170 0.000 0.310 1675 A C 0.401 178.028 177.584 0.073 0.000 1.075 1675 A CA -0.730 51.401 52.037 0.157 0.000 0.746 1675 A CB 1.125 20.304 19.000 0.298 0.000 1.277 1675 A HN 0.464 nan 8.150 nan 0.000 0.425 1676 R N 0.223 120.711 120.500 -0.020 0.000 2.491 1676 R HA 0.305 4.543 4.340 -0.170 0.000 0.283 1676 R C -1.033 175.250 176.300 -0.029 0.000 1.072 1676 R CA -0.386 55.668 56.100 -0.078 0.000 1.048 1676 R CB 0.678 30.843 30.300 -0.226 0.000 0.983 1676 R HN 0.522 nan 8.270 nan 0.000 0.450 1677 L N 4.276 125.486 121.223 -0.021 0.000 2.280 1677 L HA 0.332 4.570 4.340 -0.170 0.000 0.287 1677 L C -1.072 175.769 176.870 -0.047 0.000 1.023 1677 L CA -0.410 54.424 54.840 -0.010 0.000 0.819 1677 L CB 1.765 43.831 42.059 0.012 0.000 1.212 1677 L HN 0.258 nan 8.230 nan 0.000 0.420 1678 V N 5.865 125.744 119.914 -0.058 0.000 2.459 1678 V HA 0.603 4.621 4.120 -0.170 0.000 0.295 1678 V C -0.461 175.465 176.094 -0.280 0.000 1.029 1678 V CA -0.676 61.565 62.300 -0.098 0.000 0.874 1678 V CB 1.814 33.663 31.823 0.043 0.000 0.985 1678 V HN 0.502 nan 8.190 nan 0.000 0.438 1679 V N 3.206 122.967 119.914 -0.256 0.000 2.483 1679 V HA 0.386 4.404 4.120 -0.170 0.000 0.297 1679 V C -0.562 175.348 176.094 -0.307 0.000 1.027 1679 V CA -0.594 61.526 62.300 -0.299 0.000 0.855 1679 V CB 1.972 33.698 31.823 -0.162 0.000 0.995 1679 V HN 0.892 nan 8.190 nan 0.000 0.424 1680 D N 4.227 124.408 120.400 -0.365 0.000 2.365 1680 D HA 0.435 4.972 4.640 -0.170 0.000 0.237 1680 D C 0.540 176.742 176.300 -0.163 0.000 1.190 1680 D CA -0.126 53.738 54.000 -0.226 0.000 0.867 1680 D CB 1.805 42.539 40.800 -0.110 0.000 1.050 1680 D HN 0.659 nan 8.370 nan 0.000 0.491 1681 A N 3.252 125.919 122.820 -0.255 0.000 2.507 1681 A HA 0.122 4.340 4.320 -0.170 0.000 0.270 1681 A C 1.822 179.496 177.584 0.150 0.000 1.318 1681 A CA -0.240 51.746 52.037 -0.086 0.000 0.924 1681 A CB -0.064 18.881 19.000 -0.091 0.000 1.061 1681 A HN 0.554 nan 8.150 nan 0.000 0.516 1682 T N -0.183 114.469 114.554 0.163 0.000 2.653 1682 T HA -0.205 4.043 4.350 -0.170 0.000 0.268 1682 T C 1.322 176.329 174.700 0.512 0.000 1.035 1682 T CA 1.903 64.235 62.100 0.386 0.000 1.154 1682 T CB -0.406 68.617 68.868 0.259 0.000 0.862 1682 T HN 0.480 nan 8.240 nan 0.000 0.441 1683 F N 1.255 121.336 119.950 0.218 0.000 2.502 1683 F HA 0.021 4.448 4.527 -0.167 0.000 0.298 1683 F C 2.374 178.285 175.800 0.186 0.000 1.111 1683 F CA 0.679 58.829 58.000 0.251 0.000 1.445 1683 F CB -0.314 38.786 39.000 0.168 0.000 1.081 1683 F HN 0.152 nan 8.300 nan 0.000 0.558 1684 T N -1.937 112.786 114.554 0.281 0.000 2.964 1684 T HA 0.170 4.418 4.350 -0.170 0.000 0.249 1684 T C 0.304 175.029 174.700 0.041 0.000 1.000 1684 T CA 0.709 62.896 62.100 0.145 0.000 0.992 1684 T CB -0.067 68.924 68.868 0.205 0.000 1.087 1684 T HN 0.232 nan 8.240 nan 0.000 0.489 1685 S N 1.448 117.211 115.700 0.104 0.000 3.425 1685 S HA -0.062 4.306 4.470 -0.170 0.000 0.815 1685 S C -2.806 171.781 174.600 -0.022 0.000 1.102 1685 S CA -0.174 58.009 58.200 -0.028 0.000 1.114 1685 S CB -1.163 61.903 63.200 -0.225 0.000 0.716 1685 S HN 0.155 nan 8.310 nan 0.000 0.321 1686 P HA 0.230 nan 4.420 nan 0.000 0.245 1686 P C 1.437 178.655 177.300 -0.136 0.000 1.212 1686 P CA 0.806 63.867 63.100 -0.065 0.000 0.774 1686 P CB -0.672 30.963 31.700 -0.108 0.000 0.999 1687 C N -1.754 117.368 119.300 -0.297 0.000 2.435 1687 C HA 0.020 4.378 4.460 -0.170 0.000 0.279 1687 C C 2.286 177.071 174.990 -0.340 0.000 1.321 1687 C CA 0.764 59.506 59.018 -0.460 0.000 1.752 1687 C CB -1.868 25.332 27.740 -0.900 0.000 1.959 1687 C HN 0.210 nan 8.230 nan 0.000 0.500 1688 F N -1.754 118.162 119.950 -0.056 0.000 2.711 1688 F HA 0.360 5.035 4.527 0.247 0.000 0.296 1688 F C 0.379 176.143 175.800 -0.059 0.000 1.096 1688 F CA -0.430 57.522 58.000 -0.081 0.000 1.280 1688 F CB 0.389 39.317 39.000 -0.120 0.000 1.060 1688 F HN -0.034 nan 8.300 nan 0.000 0.608 1689 L N 1.442 122.756 121.223 0.152 0.000 2.376 1689 L HA 0.429 4.667 4.340 -0.170 0.000 0.275 1689 L C -0.925 175.997 176.870 0.087 0.000 0.987 1689 L CA -0.603 54.302 54.840 0.107 0.000 0.828 1689 L CB 1.397 43.528 42.059 0.120 0.000 1.249 1689 L HN -0.084 nan 8.230 nan 0.000 0.409 1690 K N 6.581 127.014 120.400 0.055 0.000 2.562 1690 K HA 0.375 4.593 4.320 -0.170 0.000 0.206 1690 K C -2.045 174.570 176.600 0.025 0.000 1.033 1690 K CA -1.439 54.874 56.287 0.043 0.000 1.029 1690 K CB 1.283 33.798 32.500 0.025 0.000 1.393 1690 K HN 0.357 nan 8.250 nan 0.000 0.539 1691 P HA -0.162 nan 4.420 nan 0.000 0.218 1691 P C 0.903 178.199 177.300 -0.007 0.000 1.148 1691 P CA 1.031 64.128 63.100 -0.004 0.000 0.822 1691 P CB 0.243 31.926 31.700 -0.029 0.000 0.784 1692 L N -0.886 120.337 121.223 -0.000 0.000 2.191 1692 L HA -0.145 4.092 4.340 -0.170 0.000 0.212 1692 L C 2.156 179.022 176.870 -0.008 0.000 1.103 1692 L CA 1.394 56.232 54.840 -0.004 0.000 0.769 1692 L CB -0.855 41.206 42.059 0.003 0.000 0.908 1692 L HN -0.026 nan 8.230 nan 0.000 0.438 1693 E N 0.112 120.309 120.200 -0.005 0.000 2.358 1693 E HA -0.052 4.196 4.350 -0.170 0.000 0.195 1693 E C 1.770 178.362 176.600 -0.014 0.000 1.010 1693 E CA 0.498 56.892 56.400 -0.009 0.000 0.856 1693 E CB 0.154 29.852 29.700 -0.004 0.000 0.795 1693 E HN 0.437 nan 8.360 nan 0.000 0.504 1694 L N -1.730 119.486 121.223 -0.012 0.000 2.640 1694 L HA 0.343 4.581 4.340 -0.170 0.000 0.230 1694 L C 1.232 178.090 176.870 -0.021 0.000 1.123 1694 L CA 0.311 55.142 54.840 -0.015 0.000 0.900 1694 L CB 0.604 42.659 42.059 -0.008 0.000 1.146 1694 L HN 0.263 nan 8.230 nan 0.000 0.484 1695 G N -0.236 108.549 108.800 -0.024 0.000 2.184 1695 G HA2 -0.199 3.659 3.960 -0.170 0.000 0.206 1695 G HA3 -0.199 3.659 3.960 -0.170 0.000 0.206 1695 G C 0.419 175.311 174.900 -0.014 0.000 0.995 1695 G CA -0.180 44.903 45.100 -0.029 0.000 0.651 1695 G HN 0.414 nan 8.290 nan 0.000 0.511 1696 A N 0.247 123.058 122.820 -0.014 0.000 2.406 1696 A HA 0.551 4.769 4.320 -0.170 0.000 0.243 1696 A C 1.124 178.696 177.584 -0.019 0.000 1.082 1696 A CA 0.906 52.932 52.037 -0.018 0.000 0.786 1696 A CB 0.313 19.295 19.000 -0.031 0.000 1.029 1696 A HN 0.192 nan 8.150 nan 0.000 0.495 1697 D N -0.119 120.263 120.400 -0.030 0.000 2.277 1697 D HA 0.179 4.717 4.640 -0.170 0.000 0.209 1697 D C 0.069 176.349 176.300 -0.034 0.000 0.970 1697 D CA 1.222 55.197 54.000 -0.041 0.000 0.874 1697 D CB 0.291 41.041 40.800 -0.084 0.000 0.982 1697 D HN 0.485 nan 8.370 nan 0.000 0.504 1698 I N 0.392 120.943 120.570 -0.032 0.000 2.619 1698 I HA 0.431 4.499 4.170 -0.170 0.000 0.292 1698 I C -1.158 174.948 176.117 -0.019 0.000 1.100 1698 I CA -0.880 60.420 61.300 -0.001 0.000 1.043 1698 I CB 2.551 40.566 38.000 0.025 0.000 1.239 1698 I HN -0.233 nan 8.210 nan 0.000 0.420 1699 A N 6.660 129.478 122.820 -0.003 0.000 2.343 1699 A HA 0.906 5.123 4.320 -0.170 0.000 0.308 1699 A C -1.154 176.400 177.584 -0.051 0.000 1.092 1699 A CA -0.427 51.579 52.037 -0.052 0.000 0.751 1699 A CB 1.312 20.300 19.000 -0.019 0.000 1.203 1699 A HN 0.591 nan 8.150 nan 0.000 0.452 1700 L N -0.232 120.886 121.223 -0.176 0.000 2.350 1700 L HA 0.847 5.085 4.340 -0.170 0.000 0.260 1700 L C -0.646 176.010 176.870 -0.357 0.000 1.015 1700 L CA -0.529 54.251 54.840 -0.101 0.000 0.821 1700 L CB 1.687 43.753 42.059 0.011 0.000 1.370 1700 L HN 0.649 nan 8.230 nan 0.000 0.416 1701 H N -0.470 118.663 119.070 0.105 0.000 2.930 1701 H HA 0.336 4.787 4.556 -0.174 0.000 0.371 1701 H C -1.103 174.286 175.328 0.101 0.000 1.169 1701 H CA -0.769 55.343 56.048 0.106 0.000 1.157 1701 H CB 2.340 32.178 29.762 0.126 0.000 1.789 1701 H HN 0.797 nan 8.280 nan 0.000 0.547 1702 S N 1.761 117.565 115.700 0.174 0.000 2.429 1702 S HA 0.066 4.434 4.470 -0.170 0.000 0.292 1702 S C 1.272 175.964 174.600 0.153 0.000 1.183 1702 S CA -0.539 57.723 58.200 0.103 0.000 1.088 1702 S CB -0.243 62.945 63.200 -0.020 0.000 1.018 1702 S HN 0.420 nan 8.310 nan 0.000 0.511 1703 V N 4.974 124.989 119.914 0.169 0.000 2.759 1703 V HA -0.072 3.946 4.120 -0.170 0.000 0.256 1703 V C 1.599 177.732 176.094 0.066 0.000 1.080 1703 V CA 1.036 63.426 62.300 0.151 0.000 1.101 1703 V CB -1.017 30.915 31.823 0.182 0.000 0.698 1703 V HN 0.844 nan 8.190 nan 0.000 0.477 1707 I N 1.036 121.701 120.570 0.158 0.000 2.113 1707 I HA -0.310 3.758 4.170 -0.170 0.000 0.238 1707 I C 2.163 178.358 176.117 0.130 0.000 1.070 1707 I CA 2.370 63.740 61.300 0.117 0.000 1.332 1707 I CB -0.257 37.809 38.000 0.109 0.000 1.044 1707 I HN 0.303 nan 8.210 nan 0.000 0.402 1708 N N 0.604 119.364 118.700 0.100 0.000 2.058 1708 N HA -0.142 4.496 4.740 -0.170 0.000 0.191 1708 N C 1.501 177.123 175.510 0.187 0.000 1.037 1708 N CA 2.144 55.246 53.050 0.087 0.000 0.848 1708 N CB -0.222 38.276 38.487 0.020 0.000 1.021 1708 N HN 0.412 nan 8.380 nan 0.000 0.422 1709 G N -1.716 107.149 108.800 0.109 0.000 2.212 1709 G HA2 -0.314 3.544 3.960 -0.170 0.000 0.266 1709 G HA3 -0.314 3.544 3.960 -0.170 0.000 0.266 1709 G C 0.461 175.317 174.900 -0.072 0.000 0.978 1709 G CA 1.031 46.161 45.100 0.049 0.000 0.632 1709 G HN 0.624 nan 8.290 nan 0.000 0.537 1710 H N -0.472 118.600 119.070 0.004 0.000 2.592 1710 H HA 0.449 4.904 4.556 -0.168 0.000 0.279 1710 H C 1.892 177.217 175.328 -0.005 0.000 1.089 1710 H CA 0.620 56.670 56.048 0.004 0.000 1.150 1710 H CB 0.534 30.294 29.762 -0.003 0.000 1.575 1710 H HN 1.149 nan 8.280 nan 0.000 0.547 1711 G N 1.790 110.623 108.800 0.055 0.000 2.203 1711 G HA2 -0.331 3.527 3.960 -0.170 0.000 0.263 1711 G HA3 -0.331 3.527 3.960 -0.170 0.000 0.263 1711 G C 0.354 175.275 174.900 0.034 0.000 1.012 1711 G CA 0.921 46.035 45.100 0.023 0.000 0.749 1711 G HN 0.613 nan 8.290 nan 0.000 0.512 1712 D N -1.635 118.792 120.400 0.046 0.000 2.540 1712 D HA 0.393 4.931 4.640 -0.170 0.000 0.229 1712 D C 0.338 176.648 176.300 0.017 0.000 1.250 1712 D CA -0.012 54.008 54.000 0.033 0.000 0.817 1712 D CB 0.553 41.379 40.800 0.043 0.000 1.060 1712 D HN 0.437 nan 8.370 nan 0.000 0.508 1713 V N 0.966 120.885 119.914 0.009 0.000 2.888 1713 V HA 0.395 4.413 4.120 -0.170 0.000 0.309 1713 V C -0.938 175.153 176.094 -0.005 0.000 1.114 1713 V CA -0.875 61.420 62.300 -0.008 0.000 0.940 1713 V CB 2.663 34.463 31.823 -0.039 0.000 1.021 1713 V HN 0.022 nan 8.190 nan 0.000 0.426 1714 I N 3.010 123.580 120.570 -0.000 0.000 2.377 1714 I HA 0.865 4.933 4.170 -0.170 0.000 0.293 1714 I C 0.553 176.678 176.117 0.014 0.000 0.987 1714 I CA 0.131 61.437 61.300 0.010 0.000 1.185 1714 I CB 1.205 39.217 38.000 0.019 0.000 1.341 1714 I HN 0.840 nan 8.210 nan 0.000 0.455 1715 G N 3.280 112.098 108.800 0.030 0.000 2.601 1715 G HA2 0.670 4.528 3.960 -0.170 0.000 0.291 1715 G HA3 0.670 4.528 3.960 -0.170 0.000 0.291 1715 G C -1.298 173.678 174.900 0.127 0.000 1.456 1715 G CA -0.531 44.606 45.100 0.061 0.000 0.804 1715 G HN 0.835 nan 8.290 nan 0.000 0.499 1716 G N -1.812 107.126 108.800 0.229 0.000 2.642 1716 G HA2 0.840 4.698 3.960 -0.170 0.000 0.293 1716 G HA3 0.840 4.698 3.960 -0.170 0.000 0.293 1716 G C -1.696 173.482 174.900 0.464 0.000 1.341 1716 G CA -0.621 44.659 45.100 0.300 0.000 0.916 1716 G HN 1.572 nan 8.290 nan 0.000 0.474 1717 V N -0.464 119.719 119.914 0.449 0.000 2.932 1717 V HA 0.817 4.835 4.120 -0.170 0.000 0.307 1717 V C -0.972 175.358 176.094 0.394 0.000 1.147 1717 V CA -0.541 62.040 62.300 0.468 0.000 0.951 1717 V CB 2.279 34.320 31.823 0.364 0.000 1.031 1717 V HN 1.072 nan 8.190 nan 0.000 0.426 1718 S N 3.614 119.567 115.700 0.422 0.000 2.557 1718 S HA 0.816 5.184 4.470 -0.170 0.000 0.291 1718 S C -0.852 173.880 174.600 0.220 0.000 1.116 1718 S CA -0.352 58.026 58.200 0.298 0.000 0.992 1718 S CB 1.783 65.180 63.200 0.329 0.000 1.028 1718 S HN 0.897 nan 8.310 nan 0.000 0.484 1719 S N 2.650 118.439 115.700 0.148 0.000 2.502 1719 S HA 0.827 5.194 4.470 -0.170 0.000 0.304 1719 S C -0.537 174.115 174.600 0.087 0.000 1.097 1719 S CA -0.647 57.613 58.200 0.100 0.000 1.045 1719 S CB 1.612 64.853 63.200 0.069 0.000 1.019 1719 S HN 0.992 nan 8.310 nan 0.000 0.481 1720 A N 1.890 124.760 122.820 0.083 0.000 2.340 1720 A HA 0.631 4.849 4.320 -0.170 0.000 0.331 1720 A C 0.898 178.507 177.584 0.042 0.000 1.140 1720 A CA -0.760 51.320 52.037 0.072 0.000 0.801 1720 A CB 0.969 20.035 19.000 0.111 0.000 1.234 1720 A HN 0.840 nan 8.150 nan 0.000 0.469 1721 K N 0.686 121.101 120.400 0.024 0.000 2.097 1721 K HA -0.075 4.143 4.320 -0.170 0.000 0.206 1721 K C 0.848 177.459 176.600 0.019 0.000 1.049 1721 K CA 2.041 58.337 56.287 0.015 0.000 0.933 1721 K CB -0.139 32.364 32.500 0.004 0.000 0.717 1721 K HN 0.840 nan 8.250 nan 0.000 0.442 1722 T N -3.415 111.156 114.554 0.029 0.000 2.895 1722 T HA 0.606 4.854 4.350 -0.170 0.000 0.283 1722 T C 1.000 175.728 174.700 0.047 0.000 1.014 1722 T CA -0.500 61.619 62.100 0.033 0.000 1.037 1722 T CB 1.837 70.724 68.868 0.031 0.000 1.006 1722 T HN 0.079 nan 8.240 nan 0.000 0.468 1723 A N 1.856 124.698 122.820 0.037 0.000 1.940 1723 A HA -0.119 4.099 4.320 -0.170 0.000 0.219 1723 A C 2.261 179.880 177.584 0.058 0.000 1.176 1723 A CA 1.549 53.610 52.037 0.040 0.000 0.631 1723 A CB -0.717 18.297 19.000 0.024 0.000 0.814 1723 A HN 0.950 nan 8.150 nan 0.000 0.446 1724 E N 0.533 120.769 120.200 0.061 0.000 2.072 1724 E HA -0.209 4.039 4.350 -0.170 0.000 0.191 1724 E C 1.064 177.747 176.600 0.139 0.000 0.985 1724 E CA 1.411 57.858 56.400 0.078 0.000 0.801 1724 E CB -0.782 28.957 29.700 0.064 0.000 0.750 1724 E HN 0.540 nan 8.360 nan 0.000 0.452 1725 D N 0.835 121.335 120.400 0.165 0.000 2.117 1725 D HA -0.077 4.461 4.640 -0.170 0.000 0.198 1725 D C 1.974 178.452 176.300 0.297 0.000 0.982 1725 D CA 0.505 54.685 54.000 0.300 0.000 0.828 1725 D CB -0.261 40.650 40.800 0.185 0.000 0.967 1725 D HN 0.146 nan 8.370 nan 0.000 0.464 1726 I N 0.734 121.415 120.570 0.184 0.000 2.394 1726 I HA -0.132 3.936 4.170 -0.170 0.000 0.251 1726 I C 2.003 178.207 176.117 0.144 0.000 1.136 1726 I CA 0.761 62.159 61.300 0.162 0.000 1.425 1726 I CB -0.322 37.742 38.000 0.108 0.000 1.079 1726 I HN -0.078 nan 8.210 nan 0.000 0.425 1727 A N -0.763 122.130 122.820 0.121 0.000 1.908 1727 A HA -0.227 3.990 4.320 -0.170 0.000 0.218 1727 A C 2.352 180.023 177.584 0.145 0.000 1.181 1727 A CA 2.522 54.626 52.037 0.111 0.000 0.627 1727 A CB -1.367 17.677 19.000 0.073 0.000 0.818 1727 A HN 0.455 nan 8.150 nan 0.000 0.445 1728 T N 0.208 114.839 114.554 0.128 0.000 2.737 1728 T HA -0.067 4.181 4.350 -0.170 0.000 0.265 1728 T C 1.802 176.544 174.700 0.071 0.000 1.038 1728 T CA 1.435 63.574 62.100 0.064 0.000 1.144 1728 T CB -0.407 68.438 68.868 -0.037 0.000 0.866 1728 T HN 0.421 nan 8.240 nan 0.000 0.434 1729 I N 0.832 121.458 120.570 0.094 0.000 2.208 1729 I HA -0.224 3.844 4.170 -0.170 0.000 0.245 1729 I C 2.496 178.773 176.117 0.266 0.000 1.097 1729 I CA 1.479 62.881 61.300 0.169 0.000 1.363 1729 I CB -0.275 37.886 38.000 0.269 0.000 1.051 1729 I HN 0.196 nan 8.210 nan 0.000 0.413 1730 K N -0.227 120.297 120.400 0.208 0.000 2.217 1730 K HA -0.143 4.075 4.320 -0.170 0.000 0.202 1730 K C 2.059 178.758 176.600 0.164 0.000 1.051 1730 K CA 1.155 57.533 56.287 0.152 0.000 0.952 1730 K CB -0.163 32.391 32.500 0.090 0.000 0.736 1730 K HN 0.167 nan 8.250 nan 0.000 0.453 1731 F N 0.577 120.571 119.950 0.074 0.000 2.113 1731 F HA -0.224 4.201 4.527 -0.171 0.000 0.297 1731 F C 2.228 178.066 175.800 0.063 0.000 1.103 1731 F CA 1.217 59.248 58.000 0.052 0.000 1.248 1731 F CB -0.328 38.691 39.000 0.032 0.000 0.999 1731 F HN -0.004 nan 8.300 nan 0.000 0.475 1732 Y N 0.990 121.354 120.300 0.107 0.000 2.128 1732 Y HA -0.283 4.165 4.550 -0.170 0.000 0.284 1732 Y C 2.839 178.739 175.900 -0.001 0.000 1.154 1732 Y CA 2.299 60.408 58.100 0.016 0.000 1.149 1732 Y CB -0.552 37.910 38.460 0.003 0.000 0.976 1732 Y HN 0.002 nan 8.280 nan 0.000 0.505 1733 R N 0.841 121.491 120.500 0.250 0.000 2.091 1733 R HA -0.247 3.991 4.340 -0.170 0.000 0.238 1733 R C 2.457 178.746 176.300 -0.018 0.000 1.136 1733 R CA 2.037 58.255 56.100 0.195 0.000 0.959 1733 R CB -0.364 30.071 30.300 0.224 0.000 0.856 1733 R HN 0.371 nan 8.270 nan 0.000 0.437 1734 K N -0.122 120.216 120.400 -0.102 0.000 2.113 1734 K HA -0.184 4.034 4.320 -0.170 0.000 0.208 1734 K C 0.848 177.329 176.600 -0.199 0.000 1.047 1734 K CA 2.179 58.371 56.287 -0.159 0.000 0.928 1734 K CB 0.052 32.385 32.500 -0.278 0.000 0.716 1734 K HN 0.220 nan 8.250 nan 0.000 0.446 1735 D N -0.715 119.501 120.400 -0.306 0.000 2.324 1735 D HA 0.048 4.585 4.640 -0.170 0.000 0.212 1735 D C 1.606 177.728 176.300 -0.296 0.000 0.984 1735 D CA 0.917 54.733 54.000 -0.307 0.000 0.885 1735 D CB 0.141 40.717 40.800 -0.374 0.000 0.996 1735 D HN 0.307 nan 8.370 nan 0.000 0.505 1736 A N 0.233 122.821 122.820 -0.387 0.000 1.930 1736 A HA 0.346 4.564 4.320 -0.170 0.000 0.215 1736 A C 1.853 179.374 177.584 -0.104 0.000 1.176 1736 A CA 1.563 53.409 52.037 -0.320 0.000 0.632 1736 A CB -0.396 18.326 19.000 -0.463 0.000 0.819 1736 A HN 0.269 nan 8.150 nan 0.000 0.445 1737 G N -0.891 107.885 108.800 -0.041 0.000 2.137 1737 G HA2 -0.194 3.664 3.960 -0.170 0.000 0.237 1737 G HA3 -0.194 3.664 3.960 -0.170 0.000 0.237 1737 G C 0.359 175.300 174.900 0.067 0.000 1.002 1737 G CA 0.629 45.736 45.100 0.011 0.000 0.702 1737 G HN 1.205 nan 8.290 nan 0.000 0.515 1738 S N 0.393 116.184 115.700 0.151 0.000 2.485 1738 S HA 0.665 5.033 4.470 -0.170 0.000 0.312 1738 S C 0.568 175.303 174.600 0.225 0.000 1.102 1738 S CA -0.546 57.780 58.200 0.210 0.000 1.066 1738 S CB -0.131 63.239 63.200 0.283 0.000 1.102 1738 S HN 0.475 nan 8.310 nan 0.000 0.519 1739 L N 4.525 125.811 121.223 0.107 0.000 2.330 1739 L HA 0.583 4.821 4.340 -0.170 0.000 0.271 1739 L C 0.268 177.162 176.870 0.040 0.000 1.013 1739 L CA -0.799 54.062 54.840 0.035 0.000 0.816 1739 L CB 1.790 43.851 42.059 0.004 0.000 1.287 1739 L HN 0.531 nan 8.230 nan 0.000 0.435 1740 M N 2.310 121.915 119.600 0.008 0.000 2.146 1740 M HA 0.454 4.832 4.480 -0.170 0.000 0.357 1740 M C 0.101 176.400 176.300 -0.002 0.000 1.261 1740 M CA -0.270 55.034 55.300 0.007 0.000 1.106 1740 M CB 1.158 33.755 32.600 -0.006 0.000 1.612 1740 M HN 0.755 nan 8.290 nan 0.000 0.470 1741 A N 7.188 130.007 122.820 -0.002 0.000 2.445 1741 A HA 0.354 4.572 4.320 -0.170 0.000 0.242 1741 A C -1.951 175.641 177.584 0.014 0.000 1.075 1741 A CA -1.247 50.790 52.037 0.000 0.000 0.777 1741 A CB -0.443 18.556 19.000 -0.002 0.000 1.013 1741 A HN 0.756 nan 8.150 nan 0.000 0.493 1742 P HA -0.180 nan 4.420 nan 0.000 0.216 1742 P C 1.520 178.872 177.300 0.087 0.000 1.150 1742 P CA 1.560 64.704 63.100 0.074 0.000 0.837 1742 P CB -0.075 31.678 31.700 0.088 0.000 0.786 1743 M N 0.250 119.877 119.600 0.044 0.000 2.117 1743 M HA -0.124 4.254 4.480 -0.170 0.000 0.262 1743 M C 1.227 177.595 176.300 0.113 0.000 1.065 1743 M CA 1.885 57.221 55.300 0.060 0.000 1.114 1743 M CB -1.257 31.343 32.600 -0.000 0.000 1.361 1743 M HN -0.283 nan 8.290 nan 0.000 0.408 1744 D N 0.309 120.731 120.400 0.037 0.000 2.144 1744 D HA -0.082 4.456 4.640 -0.170 0.000 0.199 1744 D C 2.003 178.247 176.300 -0.094 0.000 0.984 1744 D CA 1.772 55.760 54.000 -0.020 0.000 0.834 1744 D CB -0.427 40.348 40.800 -0.041 0.000 0.955 1744 D HN 0.523 nan 8.370 nan 0.000 0.465 1745 A N 0.199 122.979 122.820 -0.067 0.000 1.930 1745 A HA -0.143 4.075 4.320 -0.170 0.000 0.217 1745 A C 2.097 179.659 177.584 -0.037 0.000 1.175 1745 A CA 0.964 52.921 52.037 -0.134 0.000 0.627 1745 A CB -0.970 18.036 19.000 0.010 0.000 0.815 1745 A HN 0.305 nan 8.150 nan 0.000 0.443 1746 F N 0.586 120.508 119.950 -0.047 0.000 2.102 1746 F HA -0.143 4.284 4.527 -0.167 0.000 0.298 1746 F C 1.799 177.564 175.800 -0.059 0.000 1.105 1746 F CA 1.825 59.818 58.000 -0.010 0.000 1.239 1746 F CB -0.223 38.785 39.000 0.013 0.000 0.991 1746 F HN 0.135 nan 8.300 nan 0.000 0.474 1747 L N -0.675 120.522 121.223 -0.044 0.000 2.093 1747 L HA -0.235 4.003 4.340 -0.170 0.000 0.208 1747 L C 2.573 179.292 176.870 -0.251 0.000 1.085 1747 L CA 1.026 55.758 54.840 -0.180 0.000 0.755 1747 L CB -0.883 41.161 42.059 -0.025 0.000 0.904 1747 L HN 0.324 nan 8.230 nan 0.000 0.435 1748 C N -0.472 118.655 119.300 -0.288 0.000 2.466 1748 C HA -0.062 4.296 4.460 -0.170 0.000 0.278 1748 C C 3.140 178.020 174.990 -0.185 0.000 1.288 1748 C CA 0.589 59.386 59.018 -0.369 0.000 1.722 1748 C CB -0.937 26.254 27.740 -0.915 0.000 2.017 1748 C HN 0.607 nan 8.230 nan 0.000 0.488 1749 A N 0.544 123.289 122.820 -0.125 0.000 1.908 1749 A HA -0.243 3.975 4.320 -0.170 0.000 0.218 1749 A C 2.289 179.808 177.584 -0.110 0.000 1.181 1749 A CA 1.893 53.956 52.037 0.042 0.000 0.627 1749 A CB -0.662 18.351 19.000 0.021 0.000 0.818 1749 A HN 0.653 nan 8.150 nan 0.000 0.445 1750 R N -0.724 119.602 120.500 -0.291 0.000 2.073 1750 R HA -0.113 4.125 4.340 -0.170 0.000 0.234 1750 R C 2.315 178.485 176.300 -0.216 0.000 1.134 1750 R CA 1.561 57.460 56.100 -0.335 0.000 0.952 1750 R CB -0.715 29.254 30.300 -0.552 0.000 0.850 1750 R HN 0.472 nan 8.270 nan 0.000 0.433 1751 G N 0.682 109.367 108.800 -0.191 0.000 2.422 1751 G HA2 -0.296 3.562 3.960 -0.170 0.000 0.218 1751 G HA3 -0.296 3.562 3.960 -0.170 0.000 0.218 1751 G C 1.416 176.351 174.900 0.059 0.000 1.146 1751 G CA 0.706 45.777 45.100 -0.049 0.000 0.769 1751 G HN 0.314 nan 8.290 nan 0.000 0.547 1752 M N 0.196 119.820 119.600 0.041 0.000 2.374 1752 M HA 0.047 4.425 4.480 -0.170 0.000 0.264 1752 M C 2.094 178.405 176.300 0.019 0.000 1.067 1752 M CA 0.850 56.187 55.300 0.062 0.000 1.103 1752 M CB 0.053 32.722 32.600 0.115 0.000 1.402 1752 M HN 0.022 nan 8.290 nan 0.000 0.444 1753 K N -0.469 119.925 120.400 -0.010 0.000 2.209 1753 K HA -0.097 4.121 4.320 -0.170 0.000 0.204 1753 K C 1.605 178.205 176.600 0.000 0.000 1.048 1753 K CA 1.849 58.120 56.287 -0.026 0.000 0.940 1753 K CB -0.778 31.687 32.500 -0.058 0.000 0.729 1753 K HN 0.499 nan 8.250 nan 0.000 0.451 1754 T N -1.715 112.859 114.554 0.034 0.000 3.092 1754 T HA 0.120 4.368 4.350 -0.170 0.000 0.258 1754 T C 1.592 176.322 174.700 0.048 0.000 1.031 1754 T CA -0.322 61.808 62.100 0.050 0.000 0.925 1754 T CB 0.033 68.954 68.868 0.089 0.000 1.036 1754 T HN -0.061 nan 8.240 nan 0.000 0.544 1755 L N 2.444 123.690 121.223 0.038 0.000 1.990 1755 L HA 0.105 4.343 4.340 -0.170 0.000 0.213 1755 L C -0.943 175.910 176.870 -0.028 0.000 1.072 1755 L CA 2.107 56.960 54.840 0.022 0.000 0.755 1755 L CB -1.154 40.904 42.059 -0.002 0.000 0.889 1755 L HN 0.109 nan 8.230 nan 0.000 0.432 1756 P HA -0.120 nan 4.420 nan 0.000 0.216 1756 P C 2.026 179.307 177.300 -0.032 0.000 1.153 1756 P CA 1.659 64.709 63.100 -0.084 0.000 0.848 1756 P CB -0.007 31.658 31.700 -0.059 0.000 0.787 1757 I N -1.053 119.516 120.570 -0.001 0.000 2.252 1757 I HA -0.211 3.857 4.170 -0.170 0.000 0.245 1757 I C 2.529 178.657 176.117 0.018 0.000 1.102 1757 I CA 1.397 62.706 61.300 0.015 0.000 1.385 1757 I CB -0.372 37.637 38.000 0.015 0.000 1.064 1757 I HN -0.171 nan 8.210 nan 0.000 0.414 1758 R N -0.093 120.420 120.500 0.021 0.000 2.073 1758 R HA -0.151 4.087 4.340 -0.170 0.000 0.234 1758 R C 2.297 178.662 176.300 0.109 0.000 1.134 1758 R CA 1.330 57.436 56.100 0.011 0.000 0.952 1758 R CB -0.325 30.016 30.300 0.070 0.000 0.850 1758 R HN 0.241 nan 8.270 nan 0.000 0.433 1759 M N 0.704 120.389 119.600 0.141 0.000 2.149 1759 M HA -0.201 4.177 4.480 -0.170 0.000 0.261 1759 M C 2.223 178.709 176.300 0.310 0.000 1.064 1759 M CA 1.574 56.979 55.300 0.175 0.000 1.102 1759 M CB -0.988 31.472 32.600 -0.234 0.000 1.369 1759 M HN 0.244 nan 8.290 nan 0.000 0.408 1760 Q N 0.348 120.278 119.800 0.217 0.000 2.061 1760 Q HA -0.166 4.072 4.340 -0.170 0.000 0.204 1760 Q C 2.060 178.159 176.000 0.165 0.000 0.984 1760 Q CA 1.543 57.487 55.803 0.235 0.000 0.846 1760 Q CB -0.054 28.768 28.738 0.139 0.000 0.902 1760 Q HN 0.514 nan 8.270 nan 0.000 0.421 1761 I N -0.083 120.541 120.570 0.091 0.000 2.202 1761 I HA -0.305 3.763 4.170 -0.170 0.000 0.242 1761 I C 2.334 178.496 176.117 0.075 0.000 1.091 1761 I CA 1.012 62.331 61.300 0.032 0.000 1.368 1761 I CB -0.606 37.356 38.000 -0.062 0.000 1.058 1761 I HN 0.311 nan 8.210 nan 0.000 0.410 1762 H N 0.376 119.527 119.070 0.134 0.000 2.289 1762 H HA -0.267 4.176 4.556 -0.190 0.000 0.296 1762 H C 2.242 177.672 175.328 0.170 0.000 1.091 1762 H CA 2.251 58.400 56.048 0.168 0.000 1.274 1762 H CB -0.475 29.409 29.762 0.204 0.000 1.364 1762 H HN 0.384 nan 8.280 nan 0.000 0.490 1763 M N 0.710 120.498 119.600 0.314 0.000 2.080 1763 M HA -0.181 4.196 4.480 -0.170 0.000 0.260 1763 M C 2.005 178.395 176.300 0.151 0.000 1.068 1763 M CA 1.853 57.278 55.300 0.209 0.000 1.109 1763 M CB 0.042 32.694 32.600 0.085 0.000 1.342 1763 M HN 0.170 nan 8.290 nan 0.000 0.405 1764 E N 0.279 120.551 120.200 0.120 0.000 2.047 1764 E HA -0.153 4.095 4.350 -0.170 0.000 0.191 1764 E C 1.739 178.376 176.600 0.062 0.000 0.987 1764 E CA 1.681 58.122 56.400 0.068 0.000 0.799 1764 E CB -0.243 29.489 29.700 0.053 0.000 0.752 1764 E HN 0.671 nan 8.360 nan 0.000 0.449 1765 N N 0.065 118.819 118.700 0.090 0.000 2.061 1765 N HA -0.172 4.466 4.740 -0.170 0.000 0.193 1765 N C 2.049 177.641 175.510 0.136 0.000 1.030 1765 N CA 0.887 53.995 53.050 0.097 0.000 0.856 1765 N CB -0.266 38.288 38.487 0.112 0.000 1.023 1765 N HN 0.151 nan 8.380 nan 0.000 0.424 1766 G N 1.501 110.426 108.800 0.208 0.000 2.440 1766 G HA2 -0.214 3.644 3.960 -0.170 0.000 0.218 1766 G HA3 -0.214 3.644 3.960 -0.170 0.000 0.218 1766 G C 1.558 176.462 174.900 0.007 0.000 1.154 1766 G CA 0.481 45.754 45.100 0.288 0.000 0.767 1766 G HN 0.151 nan 8.290 nan 0.000 0.552 1767 L N -0.358 120.793 121.223 -0.121 0.000 2.056 1767 L HA 0.002 4.240 4.340 -0.170 0.000 0.207 1767 L C 2.996 179.731 176.870 -0.225 0.000 1.078 1767 L CA 1.207 55.818 54.840 -0.382 0.000 0.749 1767 L CB -0.202 41.699 42.059 -0.263 0.000 0.901 1767 L HN 0.164 nan 8.230 nan 0.000 0.433 1768 K N -0.714 119.639 120.400 -0.078 0.000 2.026 1768 K HA -0.149 4.069 4.320 -0.170 0.000 0.208 1768 K C 1.969 178.587 176.600 0.030 0.000 1.048 1768 K CA 1.303 57.575 56.287 -0.025 0.000 0.929 1768 K CB -0.204 32.294 32.500 -0.004 0.000 0.713 1768 K HN 0.064 nan 8.250 nan 0.000 0.439 1769 V N 1.290 121.249 119.914 0.076 0.000 2.295 1769 V HA -0.291 3.727 4.120 -0.170 0.000 0.246 1769 V C 2.312 178.526 176.094 0.200 0.000 1.049 1769 V CA 2.080 64.496 62.300 0.193 0.000 1.024 1769 V CB -0.798 31.192 31.823 0.278 0.000 0.648 1769 V HN 0.394 nan 8.190 nan 0.000 0.447 1770 A N -0.137 122.672 122.820 -0.017 0.000 1.892 1770 A HA -0.288 3.930 4.320 -0.170 0.000 0.218 1770 A C 2.303 179.813 177.584 -0.124 0.000 1.188 1770 A CA 2.276 54.170 52.037 -0.238 0.000 0.631 1770 A CB -0.498 18.014 19.000 -0.814 0.000 0.822 1770 A HN 0.566 nan 8.150 nan 0.000 0.447 1771 K N -1.608 118.717 120.400 -0.125 0.000 2.057 1771 K HA -0.114 4.104 4.320 -0.170 0.000 0.207 1771 K C 1.858 178.465 176.600 0.013 0.000 1.049 1771 K CA 1.523 57.766 56.287 -0.073 0.000 0.931 1771 K CB -0.386 32.069 32.500 -0.076 0.000 0.714 1771 K HN 0.575 nan 8.250 nan 0.000 0.440 1772 F N 2.080 121.996 119.950 -0.057 0.000 2.069 1772 F HA -0.230 4.191 4.527 -0.176 0.000 0.298 1772 F C 1.872 177.662 175.800 -0.016 0.000 1.113 1772 F CA 1.370 59.355 58.000 -0.025 0.000 1.214 1772 F CB -0.204 38.783 39.000 -0.021 0.000 0.978 1772 F HN -0.116 nan 8.300 nan 0.000 0.474 1773 L N 0.225 121.315 121.223 -0.221 0.000 2.083 1773 L HA -0.225 4.013 4.340 -0.170 0.000 0.209 1773 L C 2.517 179.253 176.870 -0.223 0.000 1.083 1773 L CA 1.808 56.431 54.840 -0.362 0.000 0.752 1773 L CB -0.825 41.060 42.059 -0.291 0.000 0.899 1773 L HN 0.296 nan 8.230 nan 0.000 0.433 1774 E N 0.348 120.474 120.200 -0.125 0.000 2.150 1774 E HA -0.249 3.999 4.350 -0.170 0.000 0.193 1774 E C 1.776 178.329 176.600 -0.079 0.000 0.985 1774 E CA 1.212 57.569 56.400 -0.071 0.000 0.814 1774 E CB 0.212 29.878 29.700 -0.056 0.000 0.752 1774 E HN 0.584 nan 8.360 nan 0.000 0.466 1775 Q N -0.738 118.994 119.800 -0.114 0.000 2.280 1775 Q HA 0.070 4.308 4.340 -0.170 0.000 0.201 1775 Q C 0.220 176.128 176.000 -0.154 0.000 0.890 1775 Q CA 0.219 55.957 55.803 -0.108 0.000 0.947 1775 Q CB 0.024 28.714 28.738 -0.080 0.000 1.081 1775 Q HN 0.116 nan 8.270 nan 0.000 0.502 1776 H N 1.965 120.857 119.070 -0.298 0.000 2.548 1776 H HA 0.038 4.491 4.556 -0.171 0.000 0.331 1776 H C 0.624 175.849 175.328 -0.172 0.000 1.093 1776 H CA 0.437 56.299 56.048 -0.311 0.000 1.367 1776 H CB 1.202 30.655 29.762 -0.515 0.000 1.455 1776 H HN 0.555 nan 8.280 nan 0.000 0.519 1777 E N 3.199 123.183 120.200 -0.360 0.000 2.204 1777 E HA -0.217 4.031 4.350 -0.170 0.000 0.195 1777 E C 1.205 177.839 176.600 0.056 0.000 0.990 1777 E CA 1.130 57.450 56.400 -0.133 0.000 0.821 1777 E CB 0.148 29.735 29.700 -0.189 0.000 0.750 1777 E HN 0.312 nan 8.360 nan 0.000 0.477 1778 K N 0.320 120.903 120.400 0.306 0.000 2.418 1778 K HA 0.092 4.310 4.320 -0.170 0.000 0.195 1778 K C 0.022 176.697 176.600 0.123 0.000 1.035 1778 K CA 0.217 56.626 56.287 0.203 0.000 1.003 1778 K CB 0.389 33.003 32.500 0.190 0.000 0.793 1778 K HN 0.109 nan 8.250 nan 0.000 0.494 1779 I N 1.342 121.978 120.570 0.110 0.000 2.339 1779 I HA 0.064 4.132 4.170 -0.170 0.000 0.290 1779 I C 1.241 177.410 176.117 0.088 0.000 0.994 1779 I CA -0.267 61.087 61.300 0.090 0.000 1.191 1779 I CB 1.456 39.461 38.000 0.009 0.000 1.343 1779 I HN -0.215 nan 8.210 nan 0.000 0.458 1780 V N 5.457 125.439 119.914 0.114 0.000 2.379 1780 V HA -0.065 3.952 4.120 -0.170 0.000 0.245 1780 V C 0.865 177.017 176.094 0.096 0.000 1.044 1780 V CA 1.462 63.817 62.300 0.093 0.000 1.036 1780 V CB -0.324 31.555 31.823 0.094 0.000 0.664 1780 V HN 0.883 nan 8.190 nan 0.000 0.453 1781 K N -0.778 119.705 120.400 0.139 0.000 2.598 1781 K HA 0.437 4.655 4.320 -0.170 0.000 0.271 1781 K C -2.263 174.475 176.600 0.229 0.000 0.947 1781 K CA -0.561 55.816 56.287 0.151 0.000 0.854 1781 K CB 2.417 34.998 32.500 0.134 0.000 1.401 1781 K HN -0.123 nan 8.250 nan 0.000 0.415 1782 V N 2.928 122.974 119.914 0.219 0.000 2.448 1782 V HA 0.336 4.354 4.120 -0.170 0.000 0.295 1782 V C -0.345 175.906 176.094 0.261 0.000 1.025 1782 V CA -0.831 61.642 62.300 0.287 0.000 0.859 1782 V CB 1.521 33.458 31.823 0.190 0.000 0.988 1782 V HN 0.788 nan 8.190 nan 0.000 0.431 1783 N N 3.793 122.670 118.700 0.294 0.000 3.083 1783 N HA 0.217 4.855 4.740 -0.170 0.000 0.260 1783 N C -0.922 174.450 175.510 -0.230 0.000 1.163 1783 N CA -0.254 52.866 53.050 0.117 0.000 1.060 1783 N CB 0.186 38.838 38.487 0.274 0.000 1.345 1783 N HN 0.667 nan 8.380 nan 0.000 0.515 1784 H N 2.050 120.783 119.070 -0.561 0.000 2.547 1784 H HA 0.261 4.680 4.556 -0.229 0.000 0.342 1784 H C -2.198 172.659 175.328 -0.785 0.000 1.048 1784 H CA -2.052 53.606 56.048 -0.650 0.000 1.204 1784 H CB 2.303 31.597 29.762 -0.780 0.000 1.493 1784 H HN 0.214 nan 8.280 nan 0.000 0.511 1785 P HA 0.028 nan 4.420 nan 0.000 0.230 1785 P C 1.193 178.411 177.300 -0.136 0.000 1.158 1785 P CA 0.990 63.909 63.100 -0.302 0.000 0.769 1785 P CB 0.177 31.808 31.700 -0.114 0.000 0.807 1786 G N -0.942 107.609 108.800 -0.414 0.000 2.939 1786 G HA2 0.109 3.967 3.960 -0.170 0.000 0.210 1786 G HA3 0.109 3.967 3.960 -0.170 0.000 0.210 1786 G C 0.396 175.120 174.900 -0.293 0.000 1.160 1786 G CA -0.113 44.541 45.100 -0.744 0.000 0.770 1786 G HN 0.201 nan 8.290 nan 0.000 0.543 1787 L N 0.662 121.725 121.223 -0.267 0.000 2.395 1787 L HA 0.246 4.484 4.340 -0.170 0.000 0.269 1787 L C 1.399 177.975 176.870 -0.491 0.000 1.133 1787 L CA -0.761 53.881 54.840 -0.329 0.000 0.812 1787 L CB 1.155 43.089 42.059 -0.208 0.000 1.125 1787 L HN 0.050 nan 8.230 nan 0.000 0.452 1788 E N 0.988 120.898 120.200 -0.484 0.000 2.118 1788 E HA -0.184 4.064 4.350 -0.170 0.000 0.195 1788 E C 2.013 178.511 176.600 -0.170 0.000 0.992 1788 E CA 1.670 57.816 56.400 -0.423 0.000 0.804 1788 E CB 0.000 29.567 29.700 -0.222 0.000 0.741 1788 E HN 0.826 nan 8.360 nan 0.000 0.458 1789 S N 0.394 116.044 115.700 -0.084 0.000 2.453 1789 S HA -0.103 4.265 4.470 -0.170 0.000 0.231 1789 S C 0.798 175.451 174.600 0.089 0.000 1.005 1789 S CA -0.098 58.105 58.200 0.006 0.000 0.949 1789 S CB -0.412 62.799 63.200 0.018 0.000 0.774 1789 S HN 0.111 nan 8.310 nan 0.000 0.510 1790 F N 4.421 124.347 119.950 -0.040 0.000 2.495 1790 F HA 0.438 4.871 4.527 -0.157 0.000 0.365 1790 F C -2.597 173.240 175.800 0.061 0.000 1.090 1790 F CA -2.748 55.267 58.000 0.025 0.000 1.235 1790 F CB 0.228 39.255 39.000 0.045 0.000 1.119 1790 F HN -0.013 nan 8.300 nan 0.000 0.562 1791 P HA 0.220 nan 4.420 nan 0.000 0.267 1791 P C 0.263 177.369 177.300 -0.324 0.000 1.209 1791 P CA 0.945 63.815 63.100 -0.383 0.000 0.763 1791 P CB 0.610 32.052 31.700 -0.430 0.000 0.816 1792 G N 2.228 110.998 108.800 -0.050 0.000 2.159 1792 G HA2 -0.345 3.513 3.960 -0.170 0.000 0.256 1792 G HA3 -0.345 3.513 3.960 -0.170 0.000 0.256 1792 G C 1.196 176.223 174.900 0.212 0.000 0.977 1792 G CA 0.410 45.550 45.100 0.066 0.000 0.652 1792 G HN 0.735 nan 8.290 nan 0.000 0.531 1793 H N 0.650 119.831 119.070 0.185 0.000 2.353 1793 H HA -0.133 4.311 4.556 -0.187 0.000 0.298 1793 H C 2.075 177.493 175.328 0.151 0.000 1.103 1793 H CA 2.237 58.404 56.048 0.198 0.000 1.293 1793 H CB 0.148 29.999 29.762 0.149 0.000 1.372 1793 H HN 0.482 nan 8.280 nan 0.000 0.501 1794 D N 0.089 120.527 120.400 0.064 0.000 2.178 1794 D HA -0.060 4.478 4.640 -0.170 0.000 0.202 1794 D C 2.413 178.700 176.300 -0.022 0.000 0.974 1794 D CA 0.875 54.870 54.000 -0.007 0.000 0.841 1794 D CB -0.035 40.798 40.800 0.055 0.000 0.953 1794 D HN 0.458 nan 8.370 nan 0.000 0.478 1795 I N 0.456 121.038 120.570 0.019 0.000 2.277 1795 I HA -0.160 3.908 4.170 -0.170 0.000 0.243 1795 I C 2.345 178.478 176.117 0.027 0.000 1.094 1795 I CA 0.757 62.072 61.300 0.025 0.000 1.393 1795 I CB -0.165 37.861 38.000 0.044 0.000 1.078 1795 I HN -0.053 nan 8.210 nan 0.000 0.417 1796 A N 1.147 124.006 122.820 0.065 0.000 1.933 1796 A HA -0.271 3.947 4.320 -0.170 0.000 0.218 1796 A C 2.351 179.962 177.584 0.045 0.000 1.175 1796 A CA 2.102 54.205 52.037 0.110 0.000 0.628 1796 A CB -0.552 18.594 19.000 0.243 0.000 0.814 1796 A HN 0.437 nan 8.150 nan 0.000 0.444 1797 K N -0.180 120.195 120.400 -0.041 0.000 2.097 1797 K HA -0.130 4.088 4.320 -0.170 0.000 0.205 1797 K C 2.012 178.562 176.600 -0.083 0.000 1.050 1797 K CA 1.788 58.014 56.287 -0.102 0.000 0.938 1797 K CB -0.178 32.184 32.500 -0.230 0.000 0.718 1797 K HN 0.366 nan 8.250 nan 0.000 0.442 1798 K N 0.140 120.507 120.400 -0.055 0.000 2.167 1798 K HA -0.053 4.165 4.320 -0.170 0.000 0.203 1798 K C 1.735 178.317 176.600 -0.030 0.000 1.052 1798 K CA 1.208 57.474 56.287 -0.036 0.000 0.956 1798 K CB 0.275 32.763 32.500 -0.021 0.000 0.735 1798 K HN 0.280 nan 8.250 nan 0.000 0.451 1799 Q N -0.746 119.041 119.800 -0.023 0.000 2.319 1799 Q HA 0.197 4.435 4.340 -0.170 0.000 0.209 1799 Q C -0.051 175.939 176.000 -0.017 0.000 0.884 1799 Q CA 0.148 55.945 55.803 -0.011 0.000 0.938 1799 Q CB 0.808 29.550 28.738 0.007 0.000 1.098 1799 Q HN 0.226 nan 8.270 nan 0.000 0.517 1800 M N -0.481 119.087 119.600 -0.053 0.000 2.644 1800 M HA 0.267 4.645 4.480 -0.170 0.000 0.304 1800 M C 0.324 176.528 176.300 -0.159 0.000 1.215 1800 M CA -0.399 54.852 55.300 -0.082 0.000 0.871 1800 M CB 1.989 34.525 32.600 -0.107 0.000 1.740 1800 M HN -0.109 nan 8.290 nan 0.000 0.464 1801 T N -2.495 111.993 114.554 -0.111 0.000 3.069 1801 T HA 0.530 4.778 4.350 -0.170 0.000 0.252 1801 T C 0.498 174.972 174.700 -0.376 0.000 1.053 1801 T CA 0.181 62.208 62.100 -0.123 0.000 0.964 1801 T CB 0.051 68.951 68.868 0.054 0.000 1.005 1801 T HN 0.937 nan 8.240 nan 0.000 0.532 1802 G N -0.178 108.165 108.800 -0.761 0.000 2.428 1802 G HA2 0.526 4.384 3.960 -0.170 0.000 0.304 1802 G HA3 0.526 4.384 3.960 -0.170 0.000 0.304 1802 G C -2.364 171.733 174.900 -1.338 0.000 1.303 1802 G CA -1.111 43.069 45.100 -1.533 0.000 0.825 1802 G HN 0.226 nan 8.290 nan 0.000 0.484 1803 Y N -0.694 119.189 120.300 -0.695 0.000 2.492 1803 Y HA 0.621 4.949 4.550 -0.370 0.000 0.346 1803 Y C 0.927 176.761 175.900 -0.110 0.000 0.997 1803 Y CA -0.328 57.635 58.100 -0.227 0.000 1.025 1803 Y CB 2.080 40.486 38.460 -0.091 0.000 1.263 1803 Y HN 0.886 nan 8.280 nan 0.000 0.454 1804 G N 0.175 109.027 108.800 0.087 0.000 2.683 1804 G HA2 0.333 4.190 3.960 -0.170 0.000 0.260 1804 G HA3 0.333 4.190 3.960 -0.170 0.000 0.260 1804 G C 0.390 175.314 174.900 0.040 0.000 1.238 1804 G CA -0.082 44.965 45.100 -0.088 0.000 0.934 1804 G HN 0.758 nan 8.290 nan 0.000 0.534 1805 S N -1.856 113.912 115.700 0.113 0.000 2.663 1805 S HA 0.269 4.637 4.470 -0.170 0.000 0.243 1805 S C 0.313 175.093 174.600 0.300 0.000 1.009 1805 S CA -0.342 58.033 58.200 0.293 0.000 0.988 1805 S CB 0.346 63.763 63.200 0.362 0.000 0.896 1805 S HN 0.408 nan 8.310 nan 0.000 0.502 1806 T N 3.599 118.191 114.554 0.063 0.000 2.767 1806 T HA 0.699 4.947 4.350 -0.170 0.000 0.284 1806 T C -0.713 174.015 174.700 0.046 0.000 0.973 1806 T CA -0.453 61.564 62.100 -0.138 0.000 0.996 1806 T CB 0.364 68.860 68.868 -0.621 0.000 0.927 1806 T HN 0.514 nan 8.240 nan 0.000 0.456 1807 F N 1.241 121.190 119.950 -0.001 0.000 2.817 1807 F HA 0.781 5.214 4.527 -0.156 0.000 0.317 1807 F C -2.156 173.725 175.800 0.136 0.000 1.168 1807 F CA -1.772 56.269 58.000 0.068 0.000 0.911 1807 F CB 1.105 40.113 39.000 0.012 0.000 1.337 1807 F HN 0.490 nan 8.300 nan 0.000 0.464 1808 L N 2.348 123.733 121.223 0.270 0.000 2.342 1808 L HA 0.853 5.091 4.340 -0.170 0.000 0.271 1808 L C -1.440 175.607 176.870 0.295 0.000 1.008 1808 L CA -0.845 54.051 54.840 0.094 0.000 0.818 1808 L CB 1.920 44.016 42.059 0.061 0.000 1.296 1808 L HN 0.775 nan 8.230 nan 0.000 0.427 1809 F N 0.638 120.655 119.950 0.110 0.000 2.650 1809 F HA 0.653 5.076 4.527 -0.174 0.000 0.320 1809 F C -0.917 174.938 175.800 0.091 0.000 1.091 1809 F CA -0.933 57.147 58.000 0.134 0.000 0.962 1809 F CB 1.301 40.391 39.000 0.149 0.000 1.363 1809 F HN 0.462 nan 8.300 nan 0.000 0.482 1810 E N 2.542 122.910 120.200 0.281 0.000 2.176 1810 E HA 0.390 4.638 4.350 -0.170 0.000 0.267 1810 E C -0.996 175.728 176.600 0.207 0.000 0.893 1810 E CA -0.943 55.550 56.400 0.155 0.000 0.761 1810 E CB 1.197 30.971 29.700 0.125 0.000 1.133 1810 E HN 0.591 nan 8.360 nan 0.000 0.409 1811 M N 2.900 122.593 119.600 0.156 0.000 2.369 1811 M HA 0.245 4.623 4.480 -0.170 0.000 0.291 1811 M C 0.912 177.276 176.300 0.106 0.000 1.178 1811 M CA -0.047 55.341 55.300 0.146 0.000 0.996 1811 M CB 0.499 33.168 32.600 0.114 0.000 1.472 1811 M HN 0.492 nan 8.290 nan 0.000 0.496 1812 K N 0.204 120.656 120.400 0.087 0.000 2.366 1812 K HA 0.012 4.230 4.320 -0.170 0.000 0.198 1812 K C 0.464 177.107 176.600 0.072 0.000 1.044 1812 K CA 0.534 56.864 56.287 0.072 0.000 0.973 1812 K CB 0.203 32.738 32.500 0.058 0.000 0.767 1812 K HN 0.792 nan 8.250 nan 0.000 0.475 1813 S N -1.854 113.892 115.700 0.077 0.000 2.643 1813 S HA 0.179 4.547 4.470 -0.170 0.000 0.270 1813 S C 0.232 174.906 174.600 0.124 0.000 1.166 1813 S CA -0.995 57.265 58.200 0.099 0.000 0.815 1813 S CB 0.323 63.571 63.200 0.080 0.000 1.139 1813 S HN 0.090 nan 8.310 nan 0.000 0.472 1814 F N 1.562 121.531 119.950 0.032 0.000 2.134 1814 F HA 0.021 4.446 4.527 -0.171 0.000 0.299 1814 F C 2.339 178.130 175.800 -0.015 0.000 1.097 1814 F CA 1.965 59.972 58.000 0.012 0.000 1.264 1814 F CB -0.129 38.873 39.000 0.004 0.000 1.001 1814 F HN 0.670 nan 8.300 nan 0.000 0.479 1815 E N 0.839 120.982 120.200 -0.095 0.000 2.085 1815 E HA -0.233 4.015 4.350 -0.170 0.000 0.194 1815 E C 2.389 178.870 176.600 -0.197 0.000 0.994 1815 E CA 1.228 57.519 56.400 -0.182 0.000 0.801 1815 E CB -0.855 28.835 29.700 -0.017 0.000 0.743 1815 E HN 0.538 nan 8.360 nan 0.000 0.453 1816 A N 1.238 123.994 122.820 -0.107 0.000 1.933 1816 A HA -0.063 4.155 4.320 -0.170 0.000 0.218 1816 A C 2.405 179.932 177.584 -0.095 0.000 1.175 1816 A CA 1.994 53.990 52.037 -0.068 0.000 0.628 1816 A CB -0.501 18.497 19.000 -0.005 0.000 0.814 1816 A HN 0.270 nan 8.150 nan 0.000 0.444 1817 A N -0.052 122.677 122.820 -0.152 0.000 1.873 1817 A HA -0.154 4.064 4.320 -0.170 0.000 0.215 1817 A C 2.148 179.578 177.584 -0.256 0.000 1.186 1817 A CA 1.941 53.887 52.037 -0.152 0.000 0.616 1817 A CB -0.478 18.453 19.000 -0.116 0.000 0.823 1817 A HN 0.551 nan 8.150 nan 0.000 0.442 1818 K N -0.102 119.986 120.400 -0.519 0.000 2.063 1818 K HA -0.208 4.010 4.320 -0.170 0.000 0.208 1818 K C 2.147 178.643 176.600 -0.173 0.000 1.048 1818 K CA 1.869 57.876 56.287 -0.466 0.000 0.928 1818 K CB -0.219 31.857 32.500 -0.706 0.000 0.713 1818 K HN 0.412 nan 8.250 nan 0.000 0.442 1819 K N 0.494 120.820 120.400 -0.123 0.000 2.032 1819 K HA -0.180 4.038 4.320 -0.170 0.000 0.209 1819 K C 2.253 178.905 176.600 0.087 0.000 1.048 1819 K CA 1.468 57.761 56.287 0.010 0.000 0.927 1819 K CB -0.205 32.254 32.500 -0.068 0.000 0.712 1819 K HN 0.144 nan 8.250 nan 0.000 0.441 1820 L N 0.994 122.230 121.223 0.022 0.000 2.017 1820 L HA -0.149 4.089 4.340 -0.170 0.000 0.208 1820 L C 2.068 178.985 176.870 0.079 0.000 1.073 1820 L CA 1.779 56.655 54.840 0.060 0.000 0.745 1820 L CB -0.326 41.781 42.059 0.078 0.000 0.894 1820 L HN 0.244 nan 8.230 nan 0.000 0.432 1821 M N -1.039 118.582 119.600 0.035 0.000 2.296 1821 M HA -0.150 4.228 4.480 -0.170 0.000 0.265 1821 M C 1.484 177.787 176.300 0.005 0.000 1.064 1821 M CA 1.465 56.777 55.300 0.020 0.000 1.109 1821 M CB -0.188 32.403 32.600 -0.016 0.000 1.396 1821 M HN 0.346 nan 8.290 nan 0.000 0.430 1822 E N -1.519 118.686 120.200 0.008 0.000 2.481 1822 E HA -0.006 4.242 4.350 -0.170 0.000 0.198 1822 E C 0.073 176.516 176.600 -0.262 0.000 1.027 1822 E CA 0.208 56.550 56.400 -0.096 0.000 0.900 1822 E CB 0.325 29.951 29.700 -0.123 0.000 0.993 1822 E HN 0.552 nan 8.360 nan 0.000 0.482 1823 H N -0.463 118.598 119.070 -0.015 0.000 2.567 1823 H HA 0.261 4.714 4.556 -0.171 0.000 0.267 1823 H C -0.522 174.806 175.328 -0.001 0.000 1.148 1823 H CA -0.174 55.869 56.048 -0.008 0.000 1.031 1823 H CB 0.352 30.109 29.762 -0.009 0.000 1.691 1823 H HN -0.080 nan 8.280 nan 0.000 0.588 1824 L N 0.868 122.126 121.223 0.059 0.000 2.312 1824 L HA 0.281 4.518 4.340 -0.170 0.000 0.281 1824 L C 1.022 177.904 176.870 0.019 0.000 1.070 1824 L CA -0.178 54.688 54.840 0.044 0.000 0.805 1824 L CB 1.554 43.636 42.059 0.040 0.000 1.174 1824 L HN 0.200 nan 8.230 nan 0.000 0.434 1825 K N 1.764 122.175 120.400 0.019 0.000 2.354 1825 K HA 0.125 4.343 4.320 -0.170 0.000 0.194 1825 K C 1.010 177.613 176.600 0.005 0.000 1.045 1825 K CA 0.320 56.613 56.287 0.009 0.000 1.026 1825 K CB 0.918 33.426 32.500 0.012 0.000 0.866 1825 K HN 0.469 nan 8.250 nan 0.000 0.530 1826 V N 0.807 120.725 119.914 0.007 0.000 2.854 1826 V HA 0.003 4.021 4.120 -0.170 0.000 0.236 1826 V C 1.000 177.099 176.094 0.008 0.000 1.157 1826 V CA 0.142 62.445 62.300 0.004 0.000 1.187 1826 V CB 0.358 32.181 31.823 0.000 0.000 0.949 1826 V HN 0.178 nan 8.190 nan 0.000 0.488 1827 C N 2.172 121.480 119.300 0.014 0.000 2.657 1827 C HA 0.377 4.735 4.460 -0.170 0.000 0.420 1827 C C 0.882 175.880 174.990 0.013 0.000 1.323 1827 C CA -0.017 59.012 59.018 0.018 0.000 1.894 1827 C CB -0.797 26.961 27.740 0.030 0.000 2.681 1827 C HN 0.477 nan 8.230 nan 0.000 0.613 1828 T N 3.748 118.309 114.554 0.011 0.000 2.794 1828 T HA 0.373 4.620 4.350 -0.170 0.000 0.280 1828 T C -0.271 174.435 174.700 0.010 0.000 0.987 1828 T CA -0.363 61.742 62.100 0.007 0.000 0.993 1828 T CB 1.048 69.919 68.868 0.005 0.000 0.939 1828 T HN 0.488 nan 8.240 nan 0.000 0.449 1829 L N 4.060 125.288 121.223 0.008 0.000 2.385 1829 L HA 0.616 4.854 4.340 -0.170 0.000 0.281 1829 L C -0.098 176.780 176.870 0.015 0.000 1.106 1829 L CA 0.450 55.297 54.840 0.012 0.000 0.856 1829 L CB -1.068 40.995 42.059 0.006 0.000 1.186 1829 L HN 0.882 nan 8.230 nan 0.000 0.453 1830 A N 3.934 126.766 122.820 0.020 0.000 2.590 1830 A HA 0.598 4.816 4.320 -0.170 0.000 0.294 1830 A C -0.709 176.893 177.584 0.029 0.000 1.046 1830 A CA -0.209 51.842 52.037 0.022 0.000 0.684 1830 A CB 0.563 19.571 19.000 0.014 0.000 1.279 1830 A HN 0.964 nan 8.150 nan 0.000 0.415 1831 V N -0.292 119.644 119.914 0.037 0.000 3.596 1831 V HA 0.896 4.914 4.120 -0.170 0.000 0.288 1831 V C 0.698 176.818 176.094 0.044 0.000 1.021 1831 V CA 0.522 62.854 62.300 0.053 0.000 1.020 1831 V CB 0.733 32.595 31.823 0.065 0.000 1.243 1831 V HN 2.857 nan 8.190 nan 0.000 0.433 1832 S N -0.577 115.162 115.700 0.066 0.000 4.024 1832 S HA 0.008 4.376 4.470 -0.170 0.000 0.651 1832 S C -0.981 173.611 174.600 -0.013 0.000 1.390 1832 S CA 0.600 58.821 58.200 0.035 0.000 1.539 1832 S CB -1.064 62.140 63.200 0.006 0.000 0.334 1832 S HN 2.569 nan 8.310 nan 0.000 1.574 1833 L N -1.474 119.694 121.223 -0.092 0.000 2.838 1833 L HA 0.825 5.063 4.340 -0.170 0.000 0.266 1833 L C 0.761 177.374 176.870 -0.428 0.000 1.040 1833 L CA 0.153 54.866 54.840 -0.211 0.000 0.906 1833 L CB 0.980 42.924 42.059 -0.192 0.000 1.501 1833 L HN 2.211 nan 8.230 nan 0.000 0.407 1834 G N -0.555 107.824 108.800 -0.702 0.000 2.147 1834 G HA2 -0.230 3.628 3.960 -0.170 0.000 0.244 1834 G HA3 -0.230 3.628 3.960 -0.170 0.000 0.244 1834 G C 0.197 174.753 174.900 -0.573 0.000 1.005 1834 G CA 0.178 44.465 45.100 -1.355 0.000 0.713 1834 G HN 1.007 nan 8.290 nan 0.000 0.515 1835 C N -0.301 118.846 119.300 -0.255 0.000 2.362 1835 C HA 0.610 4.968 4.460 -0.170 0.000 0.363 1835 C C 2.602 177.617 174.990 0.042 0.000 1.220 1835 C CA 0.132 59.095 59.018 -0.091 0.000 2.379 1835 C CB 0.847 28.546 27.740 -0.067 0.000 2.351 1835 C HN 1.155 nan 8.230 nan 0.000 0.582 1836 V N 1.067 120.962 119.914 -0.032 0.000 2.594 1836 V HA 0.031 4.049 4.120 -0.170 0.000 0.253 1836 V C 0.720 176.811 176.094 -0.005 0.000 1.069 1836 V CA 1.776 64.047 62.300 -0.047 0.000 1.082 1836 V CB -1.059 30.650 31.823 -0.191 0.000 0.680 1836 V HN 0.921 nan 8.190 nan 0.000 0.469 1837 D N -0.347 120.055 120.400 0.004 0.000 2.272 1837 D HA 0.240 4.778 4.640 -0.170 0.000 0.247 1837 D C -0.415 175.903 176.300 0.030 0.000 0.990 1837 D CA -0.461 53.547 54.000 0.014 0.000 0.931 1837 D CB 1.555 42.355 40.800 0.002 0.000 1.195 1837 D HN 0.126 nan 8.370 nan 0.000 0.477 1838 T N 1.308 115.881 114.554 0.032 0.000 2.814 1838 T HA 0.328 4.575 4.350 -0.170 0.000 0.297 1838 T C -0.118 174.591 174.700 0.016 0.000 0.956 1838 T CA -0.414 61.707 62.100 0.036 0.000 1.123 1838 T CB 0.249 69.142 68.868 0.042 0.000 0.902 1838 T HN 0.167 nan 8.240 nan 0.000 0.528 1839 L N 3.498 124.723 121.223 0.004 0.000 2.333 1839 L HA 0.708 4.946 4.340 -0.170 0.000 0.269 1839 L C -0.256 176.613 176.870 -0.003 0.000 1.010 1839 L CA -0.924 53.914 54.840 -0.003 0.000 0.818 1839 L CB 1.723 43.772 42.059 -0.018 0.000 1.306 1839 L HN 0.639 nan 8.230 nan 0.000 0.430 1840 I N 1.189 121.764 120.570 0.007 0.000 2.722 1840 I HA 0.541 4.609 4.170 -0.170 0.000 0.295 1840 I C -1.445 174.682 176.117 0.017 0.000 1.161 1840 I CA -0.207 61.098 61.300 0.009 0.000 1.032 1840 I CB 2.363 40.384 38.000 0.035 0.000 1.244 1840 I HN 0.856 nan 8.210 nan 0.000 0.421 1841 E N 4.873 125.080 120.200 0.012 0.000 2.445 1841 E HA 0.367 4.615 4.350 -0.170 0.000 0.279 1841 E C -1.647 174.994 176.600 0.068 0.000 1.018 1841 E CA -0.792 55.636 56.400 0.048 0.000 0.816 1841 E CB 1.211 30.943 29.700 0.053 0.000 1.356 1841 E HN 0.524 nan 8.360 nan 0.000 0.462 1842 H N 1.557 120.631 119.070 0.006 0.000 2.691 1842 H HA 0.269 4.722 4.556 -0.170 0.000 0.281 1842 H C -2.009 173.343 175.328 0.041 0.000 1.121 1842 H CA -2.342 53.716 56.048 0.018 0.000 1.254 1842 H CB 1.330 31.136 29.762 0.073 0.000 1.390 1842 H HN 0.323 nan 8.280 nan 0.000 0.491 1843 P HA -0.174 nan 4.420 nan 0.000 0.216 1843 P C 1.361 178.567 177.300 -0.156 0.000 1.153 1843 P CA 1.842 64.877 63.100 -0.108 0.000 0.858 1843 P CB 0.215 31.829 31.700 -0.142 0.000 0.789 1844 A N -0.111 122.462 122.820 -0.411 0.000 1.902 1844 A HA -0.171 4.047 4.320 -0.170 0.000 0.217 1844 A C 2.185 179.730 177.584 -0.064 0.000 1.181 1844 A CA 2.426 54.326 52.037 -0.229 0.000 0.623 1844 A CB -1.351 17.509 19.000 -0.232 0.000 0.818 1844 A HN 0.371 nan 8.150 nan 0.000 0.443 1845 S N -2.599 113.131 115.700 0.050 0.000 2.539 1845 S HA 0.427 4.795 4.470 -0.170 0.000 0.221 1845 S C 1.173 175.834 174.600 0.102 0.000 0.987 1845 S CA 0.349 58.636 58.200 0.146 0.000 0.929 1845 S CB 0.022 63.386 63.200 0.274 0.000 0.832 1845 S HN 0.462 nan 8.310 nan 0.000 0.492 1846 M N 1.293 120.938 119.600 0.075 0.000 3.114 1846 M HA 0.175 4.553 4.480 -0.170 0.000 0.152 1846 M C 2.358 178.658 176.300 -0.001 0.000 1.756 1846 M CA 0.879 56.209 55.300 0.050 0.000 1.654 1846 M CB -0.638 32.010 32.600 0.080 0.000 0.853 1846 M HN 0.255 nan 8.290 nan 0.000 0.596 1847 T N -1.504 113.058 114.554 0.014 0.000 2.759 1847 T HA -0.175 4.073 4.350 -0.170 0.000 0.269 1847 T C 1.011 175.526 174.700 -0.309 0.000 1.042 1847 T CA 1.771 63.818 62.100 -0.088 0.000 1.140 1847 T CB -0.619 68.273 68.868 0.040 0.000 0.864 1847 T HN 0.416 nan 8.240 nan 0.000 0.455 1848 H N 0.118 119.118 119.070 -0.117 0.000 2.486 1848 H HA 0.736 5.189 4.556 -0.171 0.000 0.284 1848 H C 1.870 177.136 175.328 -0.102 0.000 1.103 1848 H CA 0.003 55.975 56.048 -0.127 0.000 1.089 1848 H CB 0.018 29.711 29.762 -0.115 0.000 1.603 1848 H HN 0.479 nan 8.280 nan 0.000 0.557 1849 A N 0.587 123.385 122.820 -0.038 0.000 2.014 1849 A HA 0.059 4.277 4.320 -0.170 0.000 0.218 1849 A C 2.208 179.761 177.584 -0.052 0.000 1.163 1849 A CA 1.322 53.340 52.037 -0.032 0.000 0.652 1849 A CB -0.323 18.663 19.000 -0.023 0.000 0.808 1849 A HN 0.438 nan 8.150 nan 0.000 0.449 1850 A N -0.681 122.086 122.820 -0.087 0.000 2.238 1850 A HA 0.434 4.652 4.320 -0.170 0.000 0.210 1850 A C 0.756 178.288 177.584 -0.088 0.000 1.179 1850 A CA -0.008 51.974 52.037 -0.092 0.000 0.827 1850 A CB -0.334 18.598 19.000 -0.114 0.000 0.856 1850 A HN 0.204 nan 8.150 nan 0.000 0.488 1851 V N 2.492 122.361 119.914 -0.075 0.000 2.540 1851 V HA 0.077 4.095 4.120 -0.170 0.000 0.297 1851 V C -2.081 173.993 176.094 -0.034 0.000 1.024 1851 V CA -0.952 61.319 62.300 -0.047 0.000 1.105 1851 V CB 0.302 32.129 31.823 0.007 0.000 0.938 1851 V HN 0.297 nan 8.190 nan 0.000 0.482 1852 P HA 0.009 nan 4.420 nan 0.000 0.264 1852 P C 0.757 178.046 177.300 -0.019 0.000 1.183 1852 P CA 0.115 63.199 63.100 -0.028 0.000 0.763 1852 P CB 0.609 32.295 31.700 -0.024 0.000 0.807 1853 E N 3.188 123.376 120.200 -0.021 0.000 2.114 1853 E HA -0.274 3.974 4.350 -0.170 0.000 0.199 1853 E C 1.399 177.992 176.600 -0.011 0.000 1.008 1853 E CA 1.841 58.231 56.400 -0.017 0.000 0.810 1853 E CB -0.419 29.269 29.700 -0.019 0.000 0.739 1853 E HN 0.444 nan 8.360 nan 0.000 0.456 1854 N N -0.059 118.635 118.700 -0.010 0.000 2.069 1854 N HA -0.190 4.448 4.740 -0.170 0.000 0.191 1854 N C 2.030 177.540 175.510 0.001 0.000 1.031 1854 N CA 1.649 54.696 53.050 -0.004 0.000 0.852 1854 N CB -0.327 38.157 38.487 -0.004 0.000 1.018 1854 N HN 0.292 nan 8.380 nan 0.000 0.423 1855 I N 1.473 122.045 120.570 0.002 0.000 2.546 1855 I HA -0.160 3.908 4.170 -0.170 0.000 0.255 1855 I C 2.671 178.793 176.117 0.009 0.000 1.163 1855 I CA 0.646 61.953 61.300 0.010 0.000 1.457 1855 I CB -0.209 37.801 38.000 0.015 0.000 1.092 1855 I HN 0.151 nan 8.210 nan 0.000 0.434 1856 M N 0.289 119.891 119.600 0.002 0.000 2.288 1856 M HA -0.069 4.309 4.480 -0.170 0.000 0.266 1856 M C 2.216 178.510 176.300 -0.010 0.000 1.072 1856 M CA 1.547 56.845 55.300 -0.004 0.000 1.132 1856 M CB -0.222 32.375 32.600 -0.006 0.000 1.386 1856 M HN -0.073 nan 8.290 nan 0.000 0.432 1857 R N 0.763 121.259 120.500 -0.006 0.000 2.075 1857 R HA -0.029 4.209 4.340 -0.170 0.000 0.232 1857 R C 2.201 178.500 176.300 -0.001 0.000 1.126 1857 R CA 1.715 57.812 56.100 -0.005 0.000 0.963 1857 R CB -0.266 30.032 30.300 -0.003 0.000 0.858 1857 R HN 0.359 nan 8.270 nan 0.000 0.435 1858 K N 0.618 121.020 120.400 0.003 0.000 2.152 1858 K HA -0.186 4.032 4.320 -0.170 0.000 0.206 1858 K C 1.988 178.592 176.600 0.007 0.000 1.048 1858 K CA 1.429 57.721 56.287 0.008 0.000 0.933 1858 K CB 0.084 32.592 32.500 0.014 0.000 0.721 1858 K HN 0.212 nan 8.250 nan 0.000 0.447 1859 Q N -0.986 118.814 119.800 0.000 0.000 2.378 1859 Q HA 0.039 4.277 4.340 -0.170 0.000 0.205 1859 Q C 0.653 176.642 176.000 -0.018 0.000 0.954 1859 Q CA 0.572 56.368 55.803 -0.012 0.000 0.901 1859 Q CB 0.453 29.173 28.738 -0.029 0.000 0.981 1859 Q HN 0.470 nan 8.270 nan 0.000 0.483 1860 G N 1.849 110.642 108.800 -0.013 0.000 2.323 1860 G HA2 -0.274 3.584 3.960 -0.170 0.000 0.292 1860 G HA3 -0.274 3.584 3.960 -0.170 0.000 0.292 1860 G C -0.169 174.716 174.900 -0.025 0.000 1.040 1860 G CA 0.026 45.120 45.100 -0.010 0.000 0.942 1860 G HN 0.302 nan 8.290 nan 0.000 0.506 1861 I N 1.692 122.235 120.570 -0.045 0.000 2.304 1861 I HA 0.466 4.534 4.170 -0.170 0.000 0.291 1861 I C 0.959 177.044 176.117 -0.053 0.000 1.018 1861 I CA 0.100 61.356 61.300 -0.073 0.000 1.260 1861 I CB 1.314 39.244 38.000 -0.115 0.000 1.390 1861 I HN 0.344 nan 8.210 nan 0.000 0.475 1862 T N 2.659 117.186 114.554 -0.045 0.000 2.926 1862 T HA 0.463 4.711 4.350 -0.170 0.000 0.289 1862 T C -2.219 172.485 174.700 0.006 0.000 1.054 1862 T CA -2.033 60.060 62.100 -0.011 0.000 1.015 1862 T CB 1.838 70.718 68.868 0.018 0.000 1.167 1862 T HN 0.158 nan 8.240 nan 0.000 0.526 1863 P HA 0.033 nan 4.420 nan 0.000 0.225 1863 P C 0.728 178.286 177.300 0.430 0.000 1.148 1863 P CA 0.764 64.027 63.100 0.271 0.000 0.779 1863 P CB 0.017 31.820 31.700 0.170 0.000 0.780 1864 E N -1.059 119.270 120.200 0.216 0.000 2.481 1864 E HA 0.053 4.301 4.350 -0.170 0.000 0.195 1864 E C 0.431 177.090 176.600 0.099 0.000 1.047 1864 E CA 0.199 56.702 56.400 0.173 0.000 0.867 1864 E CB -0.371 29.398 29.700 0.117 0.000 0.858 1864 E HN 0.283 nan 8.360 nan 0.000 0.513 1865 L N 0.815 122.060 121.223 0.037 0.000 2.326 1865 L HA 0.362 4.600 4.340 -0.170 0.000 0.278 1865 L C -0.347 176.429 176.870 -0.158 0.000 1.092 1865 L CA -0.811 53.974 54.840 -0.093 0.000 0.810 1865 L CB 1.145 43.138 42.059 -0.111 0.000 1.153 1865 L HN -0.191 nan 8.230 nan 0.000 0.439 1866 V N 3.356 123.020 119.914 -0.417 0.000 2.604 1866 V HA 0.476 4.494 4.120 -0.170 0.000 0.305 1866 V C -0.158 175.551 176.094 -0.641 0.000 1.043 1866 V CA -0.727 61.263 62.300 -0.516 0.000 0.888 1866 V CB 2.163 33.567 31.823 -0.699 0.000 0.995 1866 V HN 0.694 nan 8.190 nan 0.000 0.429 1867 R N 3.535 123.842 120.500 -0.321 0.000 2.393 1867 R HA 0.694 4.932 4.340 -0.170 0.000 0.310 1867 R C -1.346 174.848 176.300 -0.177 0.000 0.968 1867 R CA -0.543 55.423 56.100 -0.223 0.000 0.867 1867 R CB 1.596 31.855 30.300 -0.068 0.000 1.124 1867 R HN 0.784 nan 8.270 nan 0.000 0.450 1868 I N 2.029 122.455 120.570 -0.239 0.000 2.530 1868 I HA 0.255 4.323 4.170 -0.170 0.000 0.297 1868 I C -0.870 175.105 176.117 -0.236 0.000 1.011 1868 I CA -0.312 60.872 61.300 -0.194 0.000 1.107 1868 I CB 2.107 40.026 38.000 -0.135 0.000 1.285 1868 I HN 0.545 nan 8.210 nan 0.000 0.436 1869 S N 6.827 122.460 115.700 -0.111 0.000 2.601 1869 S HA 0.429 4.797 4.470 -0.170 0.000 0.312 1869 S C -0.769 173.845 174.600 0.023 0.000 1.107 1869 S CA -0.590 57.565 58.200 -0.075 0.000 1.129 1869 S CB 0.511 63.638 63.200 -0.123 0.000 0.982 1869 S HN 0.399 nan 8.310 nan 0.000 0.469 1870 V N 5.717 125.707 119.914 0.125 0.000 2.470 1870 V HA 0.400 4.418 4.120 -0.170 0.000 0.276 1870 V C 1.560 177.836 176.094 0.304 0.000 1.040 1870 V CA 0.222 62.644 62.300 0.204 0.000 1.008 1870 V CB 0.443 32.438 31.823 0.288 0.000 0.990 1870 V HN 0.917 nan 8.190 nan 0.000 0.477 1871 G N 3.995 112.921 108.800 0.209 0.000 2.489 1871 G HA2 0.370 4.228 3.960 -0.170 0.000 0.271 1871 G HA3 0.370 4.228 3.960 -0.170 0.000 0.271 1871 G C 0.635 175.557 174.900 0.038 0.000 1.427 1871 G CA -0.191 45.029 45.100 0.201 0.000 1.057 1871 G HN 0.940 nan 8.290 nan 0.000 0.532 1872 I N -2.305 118.199 120.570 -0.109 0.000 3.941 1872 I HA 0.392 4.460 4.170 -0.170 0.000 0.335 1872 I C -0.088 175.986 176.117 -0.071 0.000 1.402 1872 I CA -0.367 60.834 61.300 -0.164 0.000 1.112 1872 I CB 0.009 37.852 38.000 -0.262 0.000 1.043 1872 I HN 0.118 nan 8.210 nan 0.000 0.395 1873 E N 2.223 122.403 120.200 -0.034 0.000 2.442 1873 E HA -0.020 4.228 4.350 -0.170 0.000 0.260 1873 E C 0.018 176.607 176.600 -0.019 0.000 1.148 1873 E CA -0.033 56.354 56.400 -0.021 0.000 0.976 1873 E CB 0.199 29.893 29.700 -0.009 0.000 0.967 1873 E HN 0.387 nan 8.360 nan 0.000 0.454 1874 N N 0.214 118.903 118.700 -0.019 0.000 2.411 1874 N HA -0.090 4.547 4.740 -0.170 0.000 0.261 1874 N C 0.627 176.123 175.510 -0.023 0.000 1.248 1874 N CA -0.039 52.999 53.050 -0.020 0.000 0.885 1874 N CB 0.616 39.090 38.487 -0.021 0.000 1.062 1874 N HN 0.327 nan 8.380 nan 0.000 0.471 1875 V N 1.761 121.662 119.914 -0.022 0.000 2.392 1875 V HA -0.223 3.795 4.120 -0.170 0.000 0.249 1875 V C 1.418 177.473 176.094 -0.066 0.000 1.059 1875 V CA 1.660 63.943 62.300 -0.028 0.000 1.051 1875 V CB -0.590 31.220 31.823 -0.021 0.000 0.658 1875 V HN 0.683 nan 8.190 nan 0.000 0.455 1876 D N 0.479 120.840 120.400 -0.065 0.000 2.178 1876 D HA -0.149 4.389 4.640 -0.170 0.000 0.201 1876 D C 1.898 178.142 176.300 -0.093 0.000 0.980 1876 D CA 1.520 55.467 54.000 -0.090 0.000 0.842 1876 D CB -0.310 40.452 40.800 -0.064 0.000 0.948 1876 D HN 0.451 nan 8.370 nan 0.000 0.472 1877 D N 0.284 120.646 120.400 -0.063 0.000 2.117 1877 D HA -0.045 4.493 4.640 -0.170 0.000 0.198 1877 D C 2.319 178.582 176.300 -0.062 0.000 0.982 1877 D CA 0.336 54.304 54.000 -0.053 0.000 0.828 1877 D CB -0.179 40.602 40.800 -0.032 0.000 0.967 1877 D HN 0.269 nan 8.370 nan 0.000 0.464 1878 I N 0.637 121.172 120.570 -0.059 0.000 2.252 1878 I HA -0.205 3.862 4.170 -0.170 0.000 0.245 1878 I C 2.382 178.433 176.117 -0.109 0.000 1.102 1878 I CA 0.730 61.999 61.300 -0.050 0.000 1.385 1878 I CB -0.106 37.885 38.000 -0.015 0.000 1.064 1878 I HN -0.061 nan 8.210 nan 0.000 0.414 1879 I N 0.716 121.166 120.570 -0.200 0.000 2.226 1879 I HA -0.274 3.794 4.170 -0.170 0.000 0.245 1879 I C 2.720 178.600 176.117 -0.396 0.000 1.100 1879 I CA 1.316 62.346 61.300 -0.449 0.000 1.374 1879 I CB -0.404 37.238 38.000 -0.597 0.000 1.057 1879 I HN 0.187 nan 8.210 nan 0.000 0.413 1880 A N 0.029 122.714 122.820 -0.226 0.000 1.969 1880 A HA -0.252 3.966 4.320 -0.170 0.000 0.218 1880 A C 1.959 179.499 177.584 -0.073 0.000 1.169 1880 A CA 1.970 53.926 52.037 -0.136 0.000 0.635 1880 A CB -0.523 18.425 19.000 -0.087 0.000 0.810 1880 A HN 0.401 nan 8.150 nan 0.000 0.445 1881 D N -0.024 120.339 120.400 -0.061 0.000 2.117 1881 D HA -0.099 4.439 4.640 -0.170 0.000 0.198 1881 D C 1.823 178.123 176.300 0.001 0.000 0.982 1881 D CA 1.155 55.144 54.000 -0.019 0.000 0.828 1881 D CB -0.187 40.608 40.800 -0.010 0.000 0.967 1881 D HN 0.407 nan 8.370 nan 0.000 0.464 1882 L N 0.038 121.254 121.223 -0.011 0.000 2.056 1882 L HA -0.103 4.135 4.340 -0.170 0.000 0.207 1882 L C 2.590 179.511 176.870 0.085 0.000 1.078 1882 L CA 1.018 55.888 54.840 0.050 0.000 0.749 1882 L CB -0.358 41.763 42.059 0.104 0.000 0.901 1882 L HN 0.013 nan 8.230 nan 0.000 0.433 1883 K N 0.259 120.709 120.400 0.082 0.000 2.009 1883 K HA -0.280 3.938 4.320 -0.170 0.000 0.210 1883 K C 2.214 178.870 176.600 0.092 0.000 1.049 1883 K CA 2.088 58.476 56.287 0.168 0.000 0.929 1883 K CB -0.012 32.554 32.500 0.110 0.000 0.714 1883 K HN 0.351 nan 8.250 nan 0.000 0.440 1884 Q N -0.088 119.742 119.800 0.049 0.000 2.124 1884 Q HA -0.075 4.163 4.340 -0.170 0.000 0.202 1884 Q C 1.674 177.693 176.000 0.031 0.000 0.977 1884 Q CA 1.794 57.620 55.803 0.039 0.000 0.850 1884 Q CB -0.506 28.249 28.738 0.028 0.000 0.901 1884 Q HN 0.281 nan 8.270 nan 0.000 0.429 1885 A N 0.269 123.111 122.820 0.037 0.000 2.119 1885 A HA 0.119 4.337 4.320 -0.170 0.000 0.217 1885 A C 1.966 179.550 177.584 -0.001 0.000 1.153 1885 A CA 0.759 52.819 52.037 0.038 0.000 0.692 1885 A CB -0.360 18.683 19.000 0.073 0.000 0.799 1885 A HN 0.403 nan 8.150 nan 0.000 0.458 1886 L N -1.578 119.638 121.223 -0.012 0.000 2.354 1886 L HA 0.048 4.286 4.340 -0.170 0.000 0.212 1886 L C 1.967 178.839 176.870 0.004 0.000 1.091 1886 L CA 0.825 55.633 54.840 -0.054 0.000 0.828 1886 L CB -0.031 41.887 42.059 -0.235 0.000 0.973 1886 L HN 0.401 nan 8.230 nan 0.000 0.461 1887 E N -0.619 119.603 120.200 0.036 0.000 2.490 1887 E HA 0.242 4.489 4.350 -0.170 0.000 0.209 1887 E C 0.013 176.623 176.600 0.018 0.000 0.971 1887 E CA 0.012 56.451 56.400 0.064 0.000 0.988 1887 E CB 0.758 30.527 29.700 0.115 0.000 1.029 1887 E HN 0.306 nan 8.360 nan 0.000 0.496 1888 L N 0.000 121.214 121.223 -0.014 0.000 2.949 1888 L HA 0.000 4.238 4.340 -0.170 0.000 0.249 1888 L CA 0.000 54.817 54.840 -0.039 0.000 0.813 1888 L CB 0.000 42.050 42.059 -0.016 0.000 0.961 1888 L HN 0.000 nan 8.230 nan 0.000 0.502