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 3ael_1_D DATA FIRST_RESID 1505 DATA SEQUENCE DITTTLLHPK GDHVLHSHAY PIFQTSTFCF DSTQQGADLF MGKGEGHIYS DATA SEQUENCE RLGNPTVEQF EEMVCSIEGA AGSAAFGSGM GAISSSTLAF LQKGDHLIAG DATA SEQUENCE DTLYGCTVSL FTHWLPRFGI EVDLIDTSDV EKVKAAWKPN TKMVYLESPA DATA SEQUENCE NPTCKVSDIK GIAVVCHERG ARLVVDATFT SPCFLKPLEL GADIALHSVS DATA SEQUENCE KYINGHGDVI GGVSSAKTAE DIATIKFYRK DAGSLMAPMD AFLCARGMKT DATA SEQUENCE LPIRMQIHME NGLKVAKFLE QHEKIVKVNH PGLESFPGHD IAKKQMTGYG DATA SEQUENCE STFLFEMKSF EAAKKLMEHL KVCTLAVSLG CVDTLIEHPA SMTHAAVPEN DATA SEQUENCE IMRKQGITPE LVRISVGIEN VDDIIADLKQ ALEL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1505 D HA 0.000 nan 4.640 nan 0.000 0.175 1505 D C 0.000 176.305 176.300 0.008 0.000 2.045 1505 D CA 0.000 54.006 54.000 0.011 0.000 0.868 1505 D CB 0.000 40.809 40.800 0.014 0.000 0.688 1506 I N -0.128 120.440 120.570 -0.003 0.000 2.335 1506 I HA -0.238 3.829 4.170 -0.173 0.000 0.251 1506 I C 1.899 178.013 176.117 -0.005 0.000 1.129 1506 I CA 1.787 63.078 61.300 -0.016 0.000 1.402 1506 I CB -0.765 37.208 38.000 -0.044 0.000 1.069 1506 I HN 0.459 nan 8.210 nan 0.000 0.424 1507 T N 0.320 114.877 114.554 0.005 0.000 2.708 1507 T HA -0.165 4.081 4.350 -0.173 0.000 0.266 1507 T C 1.956 176.685 174.700 0.048 0.000 1.037 1507 T CA 2.132 64.242 62.100 0.017 0.000 1.146 1507 T CB -0.455 68.427 68.868 0.023 0.000 0.865 1507 T HN 0.388 nan 8.240 nan 0.000 0.435 1508 T N 1.955 116.553 114.554 0.073 0.000 2.684 1508 T HA -0.143 4.104 4.350 -0.173 0.000 0.267 1508 T C 2.275 177.072 174.700 0.162 0.000 1.036 1508 T CA 1.785 63.973 62.100 0.147 0.000 1.148 1508 T CB -0.811 68.110 68.868 0.088 0.000 0.863 1508 T HN 0.417 nan 8.240 nan 0.000 0.436 1509 T N 2.377 116.976 114.554 0.075 0.000 2.708 1509 T HA 0.023 4.269 4.350 -0.173 0.000 0.266 1509 T C 1.981 176.699 174.700 0.031 0.000 1.037 1509 T CA 0.949 63.079 62.100 0.051 0.000 1.146 1509 T CB -0.467 68.407 68.868 0.011 0.000 0.865 1509 T HN 0.266 nan 8.240 nan 0.000 0.435 1510 L N 0.326 121.552 121.223 0.005 0.000 2.141 1510 L HA 0.052 4.289 4.340 -0.173 0.000 0.209 1510 L C 2.302 179.144 176.870 -0.048 0.000 1.094 1510 L CA 0.854 55.679 54.840 -0.025 0.000 0.763 1510 L CB -0.480 41.561 42.059 -0.030 0.000 0.908 1510 L HN 0.250 nan 8.230 nan 0.000 0.437 1511 L N -1.224 119.967 121.223 -0.053 0.000 2.313 1511 L HA -0.060 4.177 4.340 -0.173 0.000 0.214 1511 L C 0.746 177.355 176.870 -0.434 0.000 1.119 1511 L CA 0.506 55.220 54.840 -0.210 0.000 0.809 1511 L CB -0.185 41.751 42.059 -0.204 0.000 0.933 1511 L HN 0.360 nan 8.230 nan 0.000 0.449 1512 H N 0.338 119.415 119.070 0.012 0.000 2.355 1512 H HA 0.284 4.736 4.556 -0.174 0.000 0.232 1512 H C -2.099 173.222 175.328 -0.010 0.000 1.422 1512 H CA -1.621 54.438 56.048 0.018 0.000 1.261 1512 H CB 0.143 29.922 29.762 0.028 0.000 1.595 1512 H HN 0.119 nan 8.280 nan 0.000 0.529 1513 P HA -0.007 nan 4.420 nan 0.000 0.270 1513 P C 0.339 177.625 177.300 -0.024 0.000 1.223 1513 P CA -0.404 62.684 63.100 -0.021 0.000 0.785 1513 P CB 1.486 33.146 31.700 -0.066 0.000 0.923 1514 K N 0.705 121.082 120.400 -0.038 0.000 2.219 1514 K HA 0.542 4.759 4.320 -0.173 0.000 0.258 1514 K C 0.517 177.076 176.600 -0.068 0.000 1.008 1514 K CA -0.123 56.137 56.287 -0.044 0.000 0.928 1514 K CB -0.377 32.100 32.500 -0.040 0.000 0.983 1514 K HN 0.890 nan 8.250 nan 0.000 0.484 1515 G N 1.052 109.813 108.800 -0.065 0.000 2.392 1515 G HA2 -0.042 3.814 3.960 -0.173 0.000 0.677 1515 G HA3 -0.042 3.814 3.960 -0.173 0.000 0.677 1515 G C -1.808 173.043 174.900 -0.082 0.000 1.334 1515 G CA -0.858 44.208 45.100 -0.057 0.000 0.961 1515 G HN 0.620 nan 8.290 nan 0.000 0.616 1516 D N 0.158 120.540 120.400 -0.030 0.000 2.253 1516 D HA 0.443 4.980 4.640 -0.173 0.000 0.249 1516 D C 0.460 176.747 176.300 -0.021 0.000 1.049 1516 D CA -0.059 53.907 54.000 -0.058 0.000 0.929 1516 D CB 0.791 41.591 40.800 0.001 0.000 1.176 1516 D HN 0.448 nan 8.370 nan 0.000 0.437 1517 H N -0.641 118.467 119.070 0.064 0.000 2.771 1517 H HA 0.177 4.629 4.556 -0.173 0.000 0.364 1517 H C -0.121 175.209 175.328 0.003 0.000 1.133 1517 H CA -0.231 55.845 56.048 0.046 0.000 1.423 1517 H CB 0.776 30.534 29.762 -0.006 0.000 1.425 1517 H HN -0.050 nan 8.280 nan 0.000 0.606 1518 V N 4.822 124.794 119.914 0.098 0.000 2.350 1518 V HA -0.014 4.003 4.120 -0.173 0.000 0.276 1518 V C 0.737 176.859 176.094 0.047 0.000 1.028 1518 V CA -0.361 61.964 62.300 0.041 0.000 0.860 1518 V CB 0.800 32.595 31.823 -0.047 0.000 0.990 1518 V HN 0.790 nan 8.190 nan 0.000 0.453 1519 L N 5.835 127.106 121.223 0.080 0.000 3.839 1519 L HA -0.285 3.951 4.340 -0.173 0.000 0.416 1519 L C 1.053 178.051 176.870 0.213 0.000 1.195 1519 L CA 0.817 55.737 54.840 0.133 0.000 0.946 1519 L CB -1.428 40.668 42.059 0.062 0.000 1.891 1519 L HN 1.124 nan 8.230 nan 0.000 0.963 1520 H N -2.380 116.725 119.070 0.059 0.000 3.211 1520 H HA -0.164 4.289 4.556 -0.172 0.000 0.240 1520 H C 1.072 176.372 175.328 -0.046 0.000 1.148 1520 H CA 1.179 57.238 56.048 0.018 0.000 1.160 1520 H CB -1.019 28.744 29.762 0.000 0.000 1.232 1520 H HN 0.506 nan 8.280 nan 0.000 0.321 1521 S N -0.448 115.292 115.700 0.066 0.000 2.533 1521 S HA -0.029 4.337 4.470 -0.173 0.000 0.282 1521 S C 1.561 176.173 174.600 0.019 0.000 1.304 1521 S CA 0.159 58.379 58.200 0.034 0.000 1.063 1521 S CB 0.685 63.886 63.200 0.002 0.000 0.881 1521 S HN 0.555 nan 8.310 nan 0.000 0.493 1522 H N 3.910 122.938 119.070 -0.071 0.000 2.307 1522 H HA 0.122 4.574 4.556 -0.173 0.000 0.303 1522 H C 0.968 176.347 175.328 0.085 0.000 1.073 1522 H CA 1.019 57.026 56.048 -0.068 0.000 1.338 1522 H CB -0.278 29.455 29.762 -0.048 0.000 1.389 1522 H HN 0.733 nan 8.280 nan 0.000 0.503 1523 A N 0.693 123.502 122.820 -0.018 0.000 2.388 1523 A HA 0.112 4.329 4.320 -0.173 0.000 0.257 1523 A C -0.958 176.704 177.584 0.130 0.000 1.095 1523 A CA -0.265 51.784 52.037 0.020 0.000 0.791 1523 A CB -0.346 18.728 19.000 0.124 0.000 1.029 1523 A HN 0.542 nan 8.150 nan 0.000 0.489 1524 Y N 3.530 123.895 120.300 0.107 0.000 2.465 1524 Y HA 0.339 4.786 4.550 -0.172 0.000 0.331 1524 Y C -1.863 174.161 175.900 0.207 0.000 1.102 1524 Y CA -1.238 56.962 58.100 0.167 0.000 1.358 1524 Y CB 0.360 38.909 38.460 0.149 0.000 1.213 1524 Y HN 0.515 nan 8.280 nan 0.000 0.525 1525 P HA 0.120 nan 4.420 nan 0.000 0.271 1525 P C -0.890 176.424 177.300 0.023 0.000 1.233 1525 P CA 0.035 63.034 63.100 -0.168 0.000 0.789 1525 P CB 0.643 32.072 31.700 -0.452 0.000 0.951 1526 I N 1.466 121.954 120.570 -0.137 0.000 2.291 1526 I HA 0.189 4.256 4.170 -0.173 0.000 0.290 1526 I C 0.024 176.062 176.117 -0.131 0.000 1.050 1526 I CA -0.307 60.964 61.300 -0.048 0.000 1.245 1526 I CB -0.165 37.694 38.000 -0.235 0.000 1.405 1526 I HN 0.209 nan 8.210 nan 0.000 0.478 1527 F N 4.823 124.780 119.950 0.010 0.000 2.652 1527 F HA 0.124 4.547 4.527 -0.173 0.000 0.352 1527 F C 1.171 176.934 175.800 -0.061 0.000 1.259 1527 F CA -0.344 57.642 58.000 -0.023 0.000 1.249 1527 F CB 0.045 39.075 39.000 0.051 0.000 1.628 1527 F HN 0.487 nan 8.300 nan 0.000 0.654 1528 Q N 2.537 122.313 119.800 -0.039 0.000 3.004 1528 Q HA 0.129 4.365 4.340 -0.173 0.000 0.256 1528 Q C -0.268 175.677 176.000 -0.091 0.000 1.387 1528 Q CA 0.152 55.919 55.803 -0.061 0.000 0.962 1528 Q CB 0.065 28.744 28.738 -0.100 0.000 1.676 1528 Q HN 0.427 nan 8.270 nan 0.000 0.568 1529 T N -0.376 114.125 114.554 -0.088 0.000 2.900 1529 T HA 0.438 4.684 4.350 -0.173 0.000 0.303 1529 T C 0.647 175.230 174.700 -0.194 0.000 1.142 1529 T CA 0.056 62.048 62.100 -0.179 0.000 1.007 1529 T CB 1.200 69.872 68.868 -0.326 0.000 1.156 1529 T HN 0.440 nan 8.240 nan 0.000 0.490 1530 S N 2.106 117.684 115.700 -0.202 0.000 2.412 1530 S HA 0.230 4.596 4.470 -0.173 0.000 0.223 1530 S C 1.029 175.483 174.600 -0.245 0.000 1.048 1530 S CA 0.319 58.369 58.200 -0.250 0.000 0.954 1530 S CB -0.130 62.994 63.200 -0.126 0.000 0.840 1530 S HN 0.700 nan 8.310 nan 0.000 0.503 1531 T N 0.459 114.920 114.554 -0.155 0.000 2.940 1531 T HA 0.710 4.956 4.350 -0.173 0.000 0.288 1531 T C -1.842 172.625 174.700 -0.389 0.000 1.045 1531 T CA -0.785 61.310 62.100 -0.008 0.000 1.018 1531 T CB 0.881 69.840 68.868 0.150 0.000 1.151 1531 T HN 0.186 nan 8.240 nan 0.000 0.529 1532 F N 0.455 120.376 119.950 -0.049 0.000 2.577 1532 F HA 0.579 5.002 4.527 -0.173 0.000 0.318 1532 F C 0.229 175.862 175.800 -0.277 0.000 1.065 1532 F CA -0.787 57.159 58.000 -0.090 0.000 0.929 1532 F CB 1.326 40.321 39.000 -0.009 0.000 1.237 1532 F HN 0.517 nan 8.300 nan 0.000 0.468 1533 C N 1.914 121.194 119.300 -0.034 0.000 2.398 1533 C HA 0.609 4.965 4.460 -0.173 0.000 0.364 1533 C C -0.436 174.535 174.990 -0.032 0.000 1.219 1533 C CA -0.779 58.168 59.018 -0.118 0.000 2.312 1533 C CB 0.031 27.773 27.740 0.002 0.000 2.428 1533 C HN 0.422 nan 8.230 nan 0.000 0.564 1534 F N 1.170 121.196 119.950 0.127 0.000 2.458 1534 F HA 0.307 4.730 4.527 -0.173 0.000 0.330 1534 F C 1.327 177.176 175.800 0.083 0.000 1.082 1534 F CA -0.810 57.255 58.000 0.109 0.000 0.995 1534 F CB 0.630 39.698 39.000 0.112 0.000 1.170 1534 F HN 0.570 nan 8.300 nan 0.000 0.478 1535 D N 0.119 120.688 120.400 0.281 0.000 2.234 1535 D HA -0.007 4.530 4.640 -0.173 0.000 0.205 1535 D C 0.444 176.825 176.300 0.135 0.000 0.962 1535 D CA 1.056 55.154 54.000 0.164 0.000 0.855 1535 D CB 0.262 41.134 40.800 0.120 0.000 0.951 1535 D HN 0.432 nan 8.370 nan 0.000 0.500 1536 S N -2.580 113.205 115.700 0.142 0.000 2.615 1536 S HA 0.202 4.568 4.470 -0.173 0.000 0.268 1536 S C 0.746 175.385 174.600 0.066 0.000 1.146 1536 S CA -0.621 57.633 58.200 0.090 0.000 0.818 1536 S CB 1.359 64.589 63.200 0.049 0.000 1.111 1536 S HN -0.141 nan 8.310 nan 0.000 0.465 1537 T N 1.229 115.810 114.554 0.045 0.000 2.665 1537 T HA -0.184 4.063 4.350 -0.173 0.000 0.268 1537 T C 1.767 176.432 174.700 -0.058 0.000 1.035 1537 T CA 2.289 64.394 62.100 0.008 0.000 1.151 1537 T CB -0.582 68.293 68.868 0.012 0.000 0.862 1537 T HN 0.674 nan 8.240 nan 0.000 0.438 1538 Q N 0.996 120.773 119.800 -0.038 0.000 2.084 1538 Q HA -0.111 4.125 4.340 -0.173 0.000 0.202 1538 Q C 2.372 178.319 176.000 -0.087 0.000 0.978 1538 Q CA 1.580 57.353 55.803 -0.050 0.000 0.844 1538 Q CB -0.463 28.260 28.738 -0.025 0.000 0.898 1538 Q HN 0.508 nan 8.270 nan 0.000 0.426 1539 Q N -0.936 118.812 119.800 -0.087 0.000 2.084 1539 Q HA -0.115 4.121 4.340 -0.173 0.000 0.202 1539 Q C 1.816 177.628 176.000 -0.313 0.000 0.978 1539 Q CA 1.706 57.440 55.803 -0.115 0.000 0.844 1539 Q CB -0.472 28.251 28.738 -0.024 0.000 0.898 1539 Q HN 0.525 nan 8.270 nan 0.000 0.426 1540 G N 0.477 108.909 108.800 -0.614 0.000 2.404 1540 G HA2 -0.208 3.648 3.960 -0.173 0.000 0.215 1540 G HA3 -0.208 3.648 3.960 -0.173 0.000 0.215 1540 G C 1.549 176.163 174.900 -0.477 0.000 1.174 1540 G CA 1.225 45.466 45.100 -1.431 0.000 0.780 1540 G HN 0.506 nan 8.290 nan 0.000 0.537 1541 A N 1.192 123.874 122.820 -0.230 0.000 1.892 1541 A HA -0.124 4.093 4.320 -0.173 0.000 0.218 1541 A C 2.109 179.681 177.584 -0.020 0.000 1.188 1541 A CA 2.288 54.288 52.037 -0.061 0.000 0.631 1541 A CB -0.547 18.415 19.000 -0.065 0.000 0.822 1541 A HN 0.296 nan 8.150 nan 0.000 0.447 1542 D N -0.038 120.317 120.400 -0.074 0.000 2.097 1542 D HA -0.121 4.416 4.640 -0.173 0.000 0.195 1542 D C 1.952 178.217 176.300 -0.058 0.000 0.989 1542 D CA 1.071 55.039 54.000 -0.053 0.000 0.827 1542 D CB -0.395 40.368 40.800 -0.062 0.000 0.966 1542 D HN 0.451 nan 8.370 nan 0.000 0.456 1543 L N -0.490 120.661 121.223 -0.119 0.000 2.046 1543 L HA -0.153 4.083 4.340 -0.173 0.000 0.208 1543 L C 2.303 179.087 176.870 -0.143 0.000 1.077 1543 L CA 0.799 55.548 54.840 -0.151 0.000 0.747 1543 L CB -0.388 41.553 42.059 -0.198 0.000 0.896 1543 L HN -0.009 nan 8.230 nan 0.000 0.432 1544 F N -1.083 118.813 119.950 -0.090 0.000 2.408 1544 F HA -0.184 4.240 4.527 -0.172 0.000 0.300 1544 F C 2.188 177.973 175.800 -0.025 0.000 1.090 1544 F CA 0.806 58.783 58.000 -0.037 0.000 1.427 1544 F CB 0.009 38.985 39.000 -0.040 0.000 1.070 1544 F HN 0.100 nan 8.300 nan 0.000 0.549 1545 M N -0.725 118.940 119.600 0.109 0.000 2.428 1545 M HA 0.308 4.685 4.480 -0.173 0.000 0.239 1545 M C 1.594 177.908 176.300 0.023 0.000 1.121 1545 M CA 0.537 55.875 55.300 0.063 0.000 1.019 1545 M CB -0.840 31.782 32.600 0.037 0.000 1.485 1545 M HN 0.210 nan 8.290 nan 0.000 0.484 1546 G N 1.911 110.707 108.800 -0.007 0.000 2.147 1546 G HA2 -0.275 3.582 3.960 -0.173 0.000 0.244 1546 G HA3 -0.275 3.582 3.960 -0.173 0.000 0.244 1546 G C 0.177 175.053 174.900 -0.040 0.000 1.005 1546 G CA 0.555 45.636 45.100 -0.032 0.000 0.713 1546 G HN 0.480 nan 8.290 nan 0.000 0.515 1547 K N 0.261 120.637 120.400 -0.041 0.000 2.206 1547 K HA 0.607 4.823 4.320 -0.173 0.000 0.264 1547 K C 0.910 177.477 176.600 -0.053 0.000 0.967 1547 K CA 0.387 56.651 56.287 -0.039 0.000 0.844 1547 K CB 1.068 33.551 32.500 -0.027 0.000 1.099 1547 K HN 1.629 nan 8.250 nan 0.000 0.441 1548 G N 2.239 111.009 108.800 -0.049 0.000 2.725 1548 G HA2 -0.218 3.638 3.960 -0.173 0.000 0.220 1548 G HA3 -0.218 3.638 3.960 -0.173 0.000 0.220 1548 G C -1.263 173.593 174.900 -0.074 0.000 1.357 1548 G CA -0.402 44.667 45.100 -0.051 0.000 0.866 1548 G HN 0.662 nan 8.290 nan 0.000 0.548 1549 E N -0.553 119.604 120.200 -0.072 0.000 2.238 1549 E HA 0.729 4.975 4.350 -0.173 0.000 0.267 1549 E C 0.497 177.029 176.600 -0.113 0.000 0.887 1549 E CA 0.931 57.269 56.400 -0.103 0.000 0.769 1549 E CB 1.530 31.189 29.700 -0.068 0.000 1.187 1549 E HN 2.185 nan 8.360 nan 0.000 0.416 1550 G N 1.794 110.459 108.800 -0.224 0.000 2.357 1550 G HA2 0.140 3.996 3.960 -0.173 0.000 0.289 1550 G HA3 0.140 3.996 3.960 -0.173 0.000 0.289 1550 G C -1.701 172.877 174.900 -0.536 0.000 1.302 1550 G CA -0.935 44.036 45.100 -0.214 0.000 0.936 1550 G HN 0.552 nan 8.290 nan 0.000 0.513 1551 H N -1.631 117.264 119.070 -0.292 0.000 2.894 1551 H HA 0.779 5.231 4.556 -0.173 0.000 0.368 1551 H C 0.970 176.125 175.328 -0.289 0.000 1.181 1551 H CA -0.601 55.102 56.048 -0.575 0.000 1.146 1551 H CB 2.161 31.028 29.762 -1.491 0.000 1.839 1551 H HN 0.380 nan 8.280 nan 0.000 0.557 1552 I N -0.658 119.858 120.570 -0.089 0.000 3.878 1552 I HA 0.174 4.241 4.170 -0.173 0.000 0.273 1552 I C -0.964 175.393 176.117 0.400 0.000 1.165 1552 I CA 0.043 61.437 61.300 0.157 0.000 1.360 1552 I CB 0.944 38.883 38.000 -0.101 0.000 1.539 1552 I HN 0.357 nan 8.210 nan 0.000 0.447 1553 Y N -0.118 120.301 120.300 0.199 0.000 2.465 1553 Y HA 0.238 4.685 4.550 -0.172 0.000 0.323 1553 Y C 0.636 176.663 175.900 0.212 0.000 1.191 1553 Y CA -0.942 57.306 58.100 0.248 0.000 1.082 1553 Y CB 1.566 40.105 38.460 0.132 0.000 1.334 1553 Y HN -0.149 nan 8.280 nan 0.000 0.449 1554 S N 3.373 118.949 115.700 -0.205 0.000 2.400 1554 S HA -0.173 4.194 4.470 -0.173 0.000 0.232 1554 S C 1.900 176.424 174.600 -0.127 0.000 1.025 1554 S CA 1.669 59.811 58.200 -0.097 0.000 0.993 1554 S CB -0.183 62.949 63.200 -0.113 0.000 0.808 1554 S HN 0.734 nan 8.310 nan 0.000 0.478 1555 R N 0.963 121.334 120.500 -0.215 0.000 2.105 1555 R HA -0.034 4.203 4.340 -0.173 0.000 0.239 1555 R C 1.908 178.227 176.300 0.032 0.000 1.135 1555 R CA 1.190 57.282 56.100 -0.013 0.000 0.967 1555 R CB -0.275 30.107 30.300 0.137 0.000 0.861 1555 R HN 0.376 nan 8.270 nan 0.000 0.442 1556 L N -1.212 120.061 121.223 0.084 0.000 2.179 1556 L HA 0.201 4.437 4.340 -0.173 0.000 0.208 1556 L C 0.846 177.706 176.870 -0.017 0.000 1.096 1556 L CA 0.554 55.408 54.840 0.023 0.000 0.779 1556 L CB 0.111 42.181 42.059 0.018 0.000 0.922 1556 L HN 0.380 nan 8.230 nan 0.000 0.443 1557 G N 0.001 108.801 108.800 -0.000 0.000 2.405 1557 G HA2 0.103 3.959 3.960 -0.173 0.000 0.312 1557 G HA3 0.103 3.959 3.960 -0.173 0.000 0.312 1557 G C -1.955 172.967 174.900 0.037 0.000 1.579 1557 G CA -0.580 44.526 45.100 0.010 0.000 0.933 1557 G HN -0.065 nan 8.290 nan 0.000 0.628 1558 N N 2.988 121.688 118.700 -0.000 0.000 2.354 1558 N HA 0.469 5.106 4.740 -0.173 0.000 0.287 1558 N C -1.980 173.446 175.510 -0.140 0.000 1.016 1558 N CA -1.941 51.082 53.050 -0.044 0.000 0.871 1558 N CB 3.503 42.014 38.487 0.041 0.000 1.299 1558 N HN 0.045 nan 8.380 nan 0.000 0.482 1559 P HA -0.061 nan 4.420 nan 0.000 0.216 1559 P C 1.035 178.308 177.300 -0.045 0.000 1.150 1559 P CA 1.542 64.429 63.100 -0.355 0.000 0.837 1559 P CB 0.284 31.464 31.700 -0.867 0.000 0.786 1560 T N -0.826 113.833 114.554 0.175 0.000 2.777 1560 T HA -0.077 4.170 4.350 -0.173 0.000 0.266 1560 T C 1.848 176.614 174.700 0.110 0.000 1.040 1560 T CA 1.188 63.457 62.100 0.282 0.000 1.141 1560 T CB -0.995 68.118 68.868 0.407 0.000 0.868 1560 T HN -0.099 nan 8.240 nan 0.000 0.444 1561 V N 1.591 121.557 119.914 0.086 0.000 2.358 1561 V HA -0.147 3.869 4.120 -0.173 0.000 0.246 1561 V C 2.443 178.574 176.094 0.061 0.000 1.047 1561 V CA 1.591 63.944 62.300 0.088 0.000 1.035 1561 V CB -0.632 31.221 31.823 0.050 0.000 0.658 1561 V HN 0.528 nan 8.190 nan 0.000 0.452 1562 E N -0.336 119.856 120.200 -0.014 0.000 2.110 1562 E HA -0.259 3.988 4.350 -0.173 0.000 0.193 1562 E C 2.317 178.852 176.600 -0.108 0.000 0.988 1562 E CA 1.090 57.457 56.400 -0.054 0.000 0.804 1562 E CB -0.159 29.514 29.700 -0.046 0.000 0.745 1562 E HN 0.563 nan 8.360 nan 0.000 0.458 1563 Q N 0.157 119.845 119.800 -0.186 0.000 2.084 1563 Q HA -0.196 4.041 4.340 -0.173 0.000 0.202 1563 Q C 2.022 177.955 176.000 -0.112 0.000 0.978 1563 Q CA 1.295 56.935 55.803 -0.272 0.000 0.844 1563 Q CB -0.139 28.229 28.738 -0.617 0.000 0.898 1563 Q HN 0.338 nan 8.270 nan 0.000 0.426 1564 F N 1.488 121.354 119.950 -0.140 0.000 2.134 1564 F HA -0.167 4.255 4.527 -0.176 0.000 0.299 1564 F C 1.917 177.675 175.800 -0.070 0.000 1.097 1564 F CA 1.601 59.547 58.000 -0.089 0.000 1.264 1564 F CB 0.053 39.020 39.000 -0.054 0.000 1.001 1564 F HN 0.114 nan 8.300 nan 0.000 0.479 1565 E N 0.240 120.320 120.200 -0.199 0.000 2.097 1565 E HA -0.272 3.975 4.350 -0.173 0.000 0.196 1565 E C 2.020 178.463 176.600 -0.261 0.000 1.000 1565 E CA 1.911 58.153 56.400 -0.263 0.000 0.804 1565 E CB -0.289 29.347 29.700 -0.106 0.000 0.740 1565 E HN 0.610 nan 8.360 nan 0.000 0.454 1566 E N 0.262 120.345 120.200 -0.195 0.000 2.106 1566 E HA -0.161 4.086 4.350 -0.173 0.000 0.192 1566 E C 2.080 178.574 176.600 -0.176 0.000 0.984 1566 E CA 0.949 57.255 56.400 -0.158 0.000 0.806 1566 E CB -0.046 29.575 29.700 -0.132 0.000 0.750 1566 E HN 0.264 nan 8.360 nan 0.000 0.458 1567 M N 0.187 119.655 119.600 -0.221 0.000 2.086 1567 M HA -0.179 4.198 4.480 -0.173 0.000 0.261 1567 M C 2.357 178.512 176.300 -0.242 0.000 1.067 1567 M CA 1.218 56.394 55.300 -0.205 0.000 1.116 1567 M CB -0.159 32.330 32.600 -0.185 0.000 1.348 1567 M HN 0.026 nan 8.290 nan 0.000 0.407 1568 V N -0.567 119.114 119.914 -0.387 0.000 2.307 1568 V HA -0.298 3.718 4.120 -0.173 0.000 0.245 1568 V C 2.461 178.450 176.094 -0.175 0.000 1.045 1568 V CA 1.774 63.883 62.300 -0.319 0.000 1.024 1568 V CB -0.735 30.821 31.823 -0.445 0.000 0.651 1568 V HN 0.694 nan 8.190 nan 0.000 0.449 1569 C N 1.184 120.387 119.300 -0.160 0.000 2.398 1569 C HA -0.206 4.150 4.460 -0.173 0.000 0.276 1569 C C 3.389 178.337 174.990 -0.071 0.000 1.222 1569 C CA 1.881 60.845 59.018 -0.090 0.000 1.746 1569 C CB -1.114 26.577 27.740 -0.082 0.000 2.039 1569 C HN 0.786 nan 8.230 nan 0.000 0.470 1570 S N 0.254 115.904 115.700 -0.084 0.000 2.368 1570 S HA -0.147 4.220 4.470 -0.173 0.000 0.225 1570 S C 1.946 176.513 174.600 -0.055 0.000 1.030 1570 S CA 1.704 59.867 58.200 -0.062 0.000 0.999 1570 S CB -0.678 62.484 63.200 -0.063 0.000 0.844 1570 S HN 0.635 nan 8.310 nan 0.000 0.459 1571 I N 1.839 122.366 120.570 -0.070 0.000 2.500 1571 I HA -0.003 4.063 4.170 -0.173 0.000 0.252 1571 I C 1.956 178.050 176.117 -0.038 0.000 1.142 1571 I CA 1.285 62.548 61.300 -0.061 0.000 1.451 1571 I CB -0.635 37.314 38.000 -0.086 0.000 1.093 1571 I HN 0.342 nan 8.210 nan 0.000 0.430 1572 E N 0.731 120.913 120.200 -0.030 0.000 2.427 1572 E HA -0.011 4.235 4.350 -0.173 0.000 0.196 1572 E C 1.216 177.817 176.600 0.001 0.000 1.028 1572 E CA 0.715 57.118 56.400 0.004 0.000 0.864 1572 E CB -0.182 29.534 29.700 0.026 0.000 0.813 1572 E HN 0.570 nan 8.360 nan 0.000 0.514 1573 G N 1.830 110.623 108.800 -0.012 0.000 2.338 1573 G HA2 -0.249 3.607 3.960 -0.173 0.000 0.296 1573 G HA3 -0.249 3.607 3.960 -0.173 0.000 0.296 1573 G C 0.274 175.171 174.900 -0.006 0.000 1.040 1573 G CA 0.451 45.544 45.100 -0.011 0.000 1.004 1573 G HN 0.466 nan 8.290 nan 0.000 0.509 1574 A N -0.725 122.091 122.820 -0.006 0.000 2.256 1574 A HA 0.963 5.180 4.320 -0.173 0.000 0.318 1574 A C 1.489 179.073 177.584 0.000 0.000 1.103 1574 A CA 0.475 52.514 52.037 0.003 0.000 0.860 1574 A CB 0.939 19.945 19.000 0.011 0.000 1.182 1574 A HN 1.667 nan 8.150 nan 0.000 0.501 1575 A N -0.380 122.446 122.820 0.010 0.000 2.016 1575 A HA 0.485 4.701 4.320 -0.173 0.000 0.217 1575 A C 1.100 178.688 177.584 0.007 0.000 1.162 1575 A CA 1.540 53.583 52.037 0.009 0.000 0.662 1575 A CB -0.432 18.579 19.000 0.019 0.000 0.812 1575 A HN 2.172 nan 8.150 nan 0.000 0.450 1576 G N -2.524 106.285 108.800 0.014 0.000 2.523 1576 G HA2 0.491 4.347 3.960 -0.173 0.000 0.291 1576 G HA3 0.491 4.347 3.960 -0.173 0.000 0.291 1576 G C -1.238 173.673 174.900 0.017 0.000 1.450 1576 G CA 0.052 45.155 45.100 0.005 0.000 0.790 1576 G HN 0.282 nan 8.290 nan 0.000 0.496 1577 S N -1.203 114.494 115.700 -0.005 0.000 2.568 1577 S HA 0.887 5.254 4.470 -0.173 0.000 0.293 1577 S C -0.247 174.353 174.600 -0.000 0.000 1.089 1577 S CA -0.142 58.064 58.200 0.009 0.000 0.945 1577 S CB 1.886 65.055 63.200 -0.052 0.000 1.077 1577 S HN 1.674 nan 8.310 nan 0.000 0.485 1578 A N 1.232 124.076 122.820 0.039 0.000 2.343 1578 A HA 0.860 5.077 4.320 -0.173 0.000 0.316 1578 A C -0.300 177.189 177.584 -0.159 0.000 1.104 1578 A CA -0.702 51.274 52.037 -0.101 0.000 0.768 1578 A CB 0.944 19.883 19.000 -0.102 0.000 1.213 1578 A HN 1.033 nan 8.150 nan 0.000 0.456 1579 A N 1.557 124.234 122.820 -0.240 0.000 2.295 1579 A HA 0.917 5.133 4.320 -0.173 0.000 0.318 1579 A C -0.821 176.498 177.584 -0.441 0.000 1.134 1579 A CA -0.210 51.789 52.037 -0.063 0.000 0.827 1579 A CB 0.288 19.400 19.000 0.187 0.000 1.136 1579 A HN 0.773 nan 8.150 nan 0.000 0.493 1580 F N -0.785 119.250 119.950 0.143 0.000 2.650 1580 F HA 0.538 4.961 4.527 -0.174 0.000 0.320 1580 F C 1.447 177.294 175.800 0.079 0.000 1.091 1580 F CA -0.022 58.042 58.000 0.107 0.000 0.962 1580 F CB 1.846 40.917 39.000 0.118 0.000 1.363 1580 F HN 0.608 nan 8.300 nan 0.000 0.482 1581 G N -0.369 108.595 108.800 0.273 0.000 2.598 1581 G HA2 0.304 4.161 3.960 -0.173 0.000 0.215 1581 G HA3 0.304 4.161 3.960 -0.173 0.000 0.215 1581 G C -0.225 174.756 174.900 0.135 0.000 1.131 1581 G CA 0.857 46.048 45.100 0.153 0.000 0.785 1581 G HN 0.639 nan 8.290 nan 0.000 0.539 1582 S N -3.413 112.390 115.700 0.172 0.000 2.595 1582 S HA 0.504 4.871 4.470 -0.173 0.000 0.270 1582 S C 1.040 175.709 174.600 0.114 0.000 1.145 1582 S CA 0.158 58.426 58.200 0.113 0.000 0.825 1582 S CB 1.027 64.275 63.200 0.079 0.000 1.107 1582 S HN 0.396 nan 8.310 nan 0.000 0.461 1583 G N 0.947 109.795 108.800 0.080 0.000 2.469 1583 G HA2 -0.190 3.667 3.960 -0.173 0.000 0.219 1583 G HA3 -0.190 3.667 3.960 -0.173 0.000 0.219 1583 G C 1.157 176.070 174.900 0.022 0.000 1.150 1583 G CA 1.354 46.489 45.100 0.060 0.000 0.763 1583 G HN 0.562 nan 8.290 nan 0.000 0.561 1584 M N 1.130 120.751 119.600 0.035 0.000 2.149 1584 M HA 0.002 4.378 4.480 -0.173 0.000 0.261 1584 M C 2.779 179.062 176.300 -0.030 0.000 1.064 1584 M CA 1.075 56.392 55.300 0.029 0.000 1.102 1584 M CB -1.711 30.929 32.600 0.066 0.000 1.369 1584 M HN 0.265 nan 8.290 nan 0.000 0.408 1585 G N -0.398 108.383 108.800 -0.032 0.000 2.422 1585 G HA2 -0.039 3.818 3.960 -0.173 0.000 0.218 1585 G HA3 -0.039 3.818 3.960 -0.173 0.000 0.218 1585 G C 1.664 176.200 174.900 -0.606 0.000 1.146 1585 G CA 1.100 46.135 45.100 -0.109 0.000 0.769 1585 G HN 0.550 nan 8.290 nan 0.000 0.547 1586 A N 0.624 123.046 122.820 -0.664 0.000 1.930 1586 A HA 0.123 4.340 4.320 -0.173 0.000 0.217 1586 A C 2.377 179.718 177.584 -0.405 0.000 1.175 1586 A CA 1.083 52.545 52.037 -0.957 0.000 0.627 1586 A CB -0.286 18.556 19.000 -0.263 0.000 0.815 1586 A HN 0.367 nan 8.150 nan 0.000 0.443 1587 I N 0.627 121.105 120.570 -0.153 0.000 2.179 1587 I HA -0.250 3.816 4.170 -0.173 0.000 0.242 1587 I C 2.912 179.022 176.117 -0.011 0.000 1.088 1587 I CA 1.688 62.996 61.300 0.012 0.000 1.357 1587 I CB -0.257 37.770 38.000 0.045 0.000 1.051 1587 I HN 0.499 nan 8.210 nan 0.000 0.409 1588 S N -0.424 115.242 115.700 -0.056 0.000 2.402 1588 S HA -0.103 4.263 4.470 -0.173 0.000 0.229 1588 S C 1.997 176.489 174.600 -0.180 0.000 1.021 1588 S CA 1.276 59.466 58.200 -0.017 0.000 0.974 1588 S CB -0.416 62.815 63.200 0.052 0.000 0.800 1588 S HN 0.307 nan 8.310 nan 0.000 0.484 1589 S N 1.627 117.178 115.700 -0.249 0.000 2.453 1589 S HA 0.107 4.473 4.470 -0.173 0.000 0.231 1589 S C 1.806 176.232 174.600 -0.289 0.000 1.005 1589 S CA 0.883 58.852 58.200 -0.384 0.000 0.949 1589 S CB -0.265 62.880 63.200 -0.093 0.000 0.774 1589 S HN 0.624 nan 8.310 nan 0.000 0.510 1590 S N 0.819 116.461 115.700 -0.097 0.000 2.548 1590 S HA 0.029 4.395 4.470 -0.173 0.000 0.215 1590 S C 1.887 176.628 174.600 0.236 0.000 0.976 1590 S CA 0.836 59.120 58.200 0.140 0.000 0.908 1590 S CB 0.084 63.385 63.200 0.169 0.000 0.781 1590 S HN 0.816 nan 8.310 nan 0.000 0.519 1591 T N -0.240 114.359 114.554 0.075 0.000 3.151 1591 T HA 0.285 4.531 4.350 -0.173 0.000 0.239 1591 T C 1.548 176.240 174.700 -0.013 0.000 0.979 1591 T CA -0.144 62.013 62.100 0.094 0.000 1.194 1591 T CB -0.650 68.252 68.868 0.057 0.000 0.982 1591 T HN 0.196 nan 8.240 nan 0.000 0.428 1592 L N 1.557 122.674 121.223 -0.177 0.000 2.551 1592 L HA 0.291 4.527 4.340 -0.173 0.000 0.228 1592 L C 2.926 179.533 176.870 -0.439 0.000 1.153 1592 L CA 0.613 55.319 54.840 -0.223 0.000 0.851 1592 L CB -0.493 41.495 42.059 -0.118 0.000 0.959 1592 L HN 0.441 nan 8.230 nan 0.000 0.451 1593 A N -0.641 121.740 122.820 -0.730 0.000 2.119 1593 A HA -0.040 4.176 4.320 -0.173 0.000 0.217 1593 A C 1.734 178.920 177.584 -0.663 0.000 1.153 1593 A CA 1.188 52.799 52.037 -0.709 0.000 0.692 1593 A CB -0.276 18.219 19.000 -0.840 0.000 0.799 1593 A HN 0.399 nan 8.150 nan 0.000 0.458 1594 F N -1.216 118.690 119.950 -0.075 0.000 2.619 1594 F HA 0.356 4.779 4.527 -0.173 0.000 0.281 1594 F C 0.526 176.309 175.800 -0.028 0.000 1.065 1594 F CA -0.415 57.567 58.000 -0.031 0.000 1.304 1594 F CB 0.059 39.042 39.000 -0.027 0.000 1.059 1594 F HN -0.123 nan 8.300 nan 0.000 0.648 1595 L N 2.342 123.639 121.223 0.123 0.000 2.371 1595 L HA 0.335 4.571 4.340 -0.173 0.000 0.272 1595 L C -0.150 176.749 176.870 0.050 0.000 1.124 1595 L CA -0.244 54.635 54.840 0.064 0.000 0.816 1595 L CB 0.842 42.912 42.059 0.018 0.000 1.129 1595 L HN 0.209 nan 8.230 nan 0.000 0.448 1596 Q N 1.924 121.753 119.800 0.048 0.000 2.544 1596 Q HA 0.377 4.614 4.340 -0.173 0.000 0.291 1596 Q C -0.999 175.034 176.000 0.055 0.000 1.068 1596 Q CA -1.217 54.615 55.803 0.049 0.000 0.785 1596 Q CB 1.809 30.570 28.738 0.038 0.000 1.481 1596 Q HN 0.390 nan 8.270 nan 0.000 0.430 1597 K N -0.282 120.156 120.400 0.064 0.000 2.504 1597 K HA 0.062 4.279 4.320 -0.173 0.000 0.278 1597 K C 0.591 177.215 176.600 0.041 0.000 1.025 1597 K CA 1.831 58.156 56.287 0.063 0.000 1.093 1597 K CB -0.645 31.892 32.500 0.062 0.000 0.873 1597 K HN 0.921 nan 8.250 nan 0.000 0.483 1598 G N 3.079 111.900 108.800 0.035 0.000 2.213 1598 G HA2 -0.196 3.661 3.960 -0.173 0.000 0.226 1598 G HA3 -0.196 3.661 3.960 -0.173 0.000 0.226 1598 G C -0.361 174.551 174.900 0.021 0.000 0.992 1598 G CA 0.133 45.246 45.100 0.022 0.000 0.632 1598 G HN 0.711 nan 8.290 nan 0.000 0.511 1599 D N 0.105 120.520 120.400 0.025 0.000 2.354 1599 D HA 0.587 5.124 4.640 -0.173 0.000 0.247 1599 D C 0.139 176.462 176.300 0.037 0.000 1.138 1599 D CA 0.157 54.168 54.000 0.019 0.000 0.958 1599 D CB 1.054 41.857 40.800 0.005 0.000 1.144 1599 D HN 0.398 nan 8.370 nan 0.000 0.458 1600 H N -0.136 118.862 119.070 -0.120 0.000 2.600 1600 H HA 0.549 5.002 4.556 -0.172 0.000 0.357 1600 H C -1.706 173.496 175.328 -0.210 0.000 1.106 1600 H CA -0.937 55.014 56.048 -0.161 0.000 1.193 1600 H CB 0.957 30.605 29.762 -0.190 0.000 1.594 1600 H HN 0.168 nan 8.280 nan 0.000 0.526 1601 L N 5.774 126.605 121.223 -0.654 0.000 2.341 1601 L HA 0.539 4.776 4.340 -0.173 0.000 0.278 1601 L C -1.451 174.967 176.870 -0.753 0.000 1.005 1601 L CA -0.426 54.042 54.840 -0.620 0.000 0.818 1601 L CB 1.044 42.822 42.059 -0.468 0.000 1.259 1601 L HN 0.719 nan 8.230 nan 0.000 0.418 1602 I N 5.118 125.347 120.570 -0.568 0.000 2.336 1602 I HA 0.680 4.746 4.170 -0.173 0.000 0.292 1602 I C 0.036 176.077 176.117 -0.127 0.000 0.991 1602 I CA -0.276 60.833 61.300 -0.319 0.000 1.227 1602 I CB 1.515 39.379 38.000 -0.225 0.000 1.366 1602 I HN 0.834 nan 8.210 nan 0.000 0.466 1603 A N 4.700 127.500 122.820 -0.033 0.000 2.374 1603 A HA 0.786 5.002 4.320 -0.173 0.000 0.317 1603 A C 0.168 177.849 177.584 0.161 0.000 1.094 1603 A CA -0.632 51.489 52.037 0.141 0.000 0.765 1603 A CB 1.188 20.326 19.000 0.230 0.000 1.268 1603 A HN 0.773 nan 8.150 nan 0.000 0.438 1604 G N 0.558 109.483 108.800 0.208 0.000 2.464 1604 G HA2 0.255 4.111 3.960 -0.173 0.000 0.231 1604 G HA3 0.255 4.111 3.960 -0.173 0.000 0.231 1604 G C 0.346 175.329 174.900 0.138 0.000 1.267 1604 G CA 0.594 45.784 45.100 0.150 0.000 0.863 1604 G HN 0.877 nan 8.290 nan 0.000 0.559 1605 D N -0.864 119.592 120.400 0.094 0.000 2.317 1605 D HA -0.045 4.492 4.640 -0.173 0.000 0.211 1605 D C 1.262 177.603 176.300 0.069 0.000 0.966 1605 D CA 0.924 54.970 54.000 0.077 0.000 0.876 1605 D CB 0.082 40.915 40.800 0.055 0.000 0.927 1605 D HN 0.398 nan 8.370 nan 0.000 0.519 1606 T N -0.334 114.261 114.554 0.069 0.000 2.809 1606 T HA 0.600 4.846 4.350 -0.173 0.000 0.296 1606 T C -0.762 173.982 174.700 0.073 0.000 1.015 1606 T CA -0.803 61.331 62.100 0.057 0.000 0.954 1606 T CB 0.175 69.058 68.868 0.025 0.000 0.950 1606 T HN 0.089 nan 8.240 nan 0.000 0.450 1607 L N 3.417 124.698 121.223 0.097 0.000 2.409 1607 L HA 0.539 4.775 4.340 -0.173 0.000 0.255 1607 L C -0.741 176.225 176.870 0.160 0.000 1.027 1607 L CA -1.773 53.130 54.840 0.105 0.000 0.834 1607 L CB 1.637 43.730 42.059 0.057 0.000 1.426 1607 L HN 0.645 nan 8.230 nan 0.000 0.411 1608 Y N 0.728 121.036 120.300 0.015 0.000 2.805 1608 Y HA 0.046 4.493 4.550 -0.171 0.000 0.337 1608 Y C 1.251 177.024 175.900 -0.212 0.000 1.252 1608 Y CA 0.640 58.708 58.100 -0.054 0.000 1.515 1608 Y CB 1.180 39.614 38.460 -0.044 0.000 1.305 1608 Y HN 0.690 nan 8.280 nan 0.000 0.600 1609 G N 3.159 111.202 108.800 -1.261 0.000 2.513 1609 G HA2 -0.319 3.537 3.960 -0.173 0.000 0.219 1609 G HA3 -0.319 3.537 3.960 -0.173 0.000 0.219 1609 G C 1.473 175.891 174.900 -0.803 0.000 1.160 1609 G CA 1.207 45.712 45.100 -0.991 0.000 0.767 1609 G HN 0.806 nan 8.290 nan 0.000 0.571 1610 C N 0.476 119.093 119.300 -1.139 0.000 2.446 1610 C HA 0.069 4.425 4.460 -0.173 0.000 0.279 1610 C C 3.185 177.990 174.990 -0.308 0.000 1.366 1610 C CA 1.278 60.007 59.018 -0.483 0.000 1.763 1610 C CB -0.940 26.683 27.740 -0.196 0.000 1.929 1610 C HN 0.465 nan 8.230 nan 0.000 0.509 1611 T N 1.035 115.379 114.554 -0.350 0.000 2.746 1611 T HA -0.134 4.113 4.350 -0.173 0.000 0.267 1611 T C 1.897 176.208 174.700 -0.648 0.000 1.039 1611 T CA 1.497 63.278 62.100 -0.531 0.000 1.142 1611 T CB -0.295 68.293 68.868 -0.468 0.000 0.866 1611 T HN 0.366 nan 8.240 nan 0.000 0.444 1612 V N 1.428 121.104 119.914 -0.397 0.000 2.287 1612 V HA -0.201 3.815 4.120 -0.173 0.000 0.248 1612 V C 2.738 178.740 176.094 -0.153 0.000 1.053 1612 V CA 2.067 64.231 62.300 -0.227 0.000 1.027 1612 V CB -0.935 30.795 31.823 -0.155 0.000 0.646 1612 V HN 0.514 nan 8.190 nan 0.000 0.447 1613 S N -0.336 115.261 115.700 -0.172 0.000 2.359 1613 S HA -0.216 4.150 4.470 -0.173 0.000 0.224 1613 S C 1.959 176.583 174.600 0.041 0.000 1.035 1613 S CA 2.056 60.204 58.200 -0.086 0.000 1.018 1613 S CB -0.397 62.748 63.200 -0.092 0.000 0.876 1613 S HN 0.412 nan 8.310 nan 0.000 0.448 1614 L N 0.956 122.214 121.223 0.059 0.000 1.989 1614 L HA 0.018 4.254 4.340 -0.173 0.000 0.211 1614 L C 2.065 179.136 176.870 0.334 0.000 1.071 1614 L CA 2.038 57.030 54.840 0.254 0.000 0.749 1614 L CB -0.945 41.155 42.059 0.069 0.000 0.890 1614 L HN 0.515 nan 8.230 nan 0.000 0.431 1615 F N -1.911 118.037 119.950 -0.004 0.000 2.325 1615 F HA -0.137 4.286 4.527 -0.173 0.000 0.299 1615 F C 2.149 177.921 175.800 -0.047 0.000 1.090 1615 F CA 0.796 58.769 58.000 -0.046 0.000 1.392 1615 F CB -0.186 38.754 39.000 -0.100 0.000 1.053 1615 F HN 0.112 nan 8.300 nan 0.000 0.521 1616 T N -2.441 112.196 114.554 0.138 0.000 3.033 1616 T HA -0.075 4.171 4.350 -0.173 0.000 0.248 1616 T C 1.661 176.336 174.700 -0.042 0.000 1.040 1616 T CA 0.594 62.713 62.100 0.032 0.000 1.133 1616 T CB -0.062 68.811 68.868 0.009 0.000 0.895 1616 T HN 0.339 nan 8.240 nan 0.000 0.465 1617 H N -1.462 117.480 119.070 -0.214 0.000 2.379 1617 H HA 0.046 4.498 4.556 -0.173 0.000 0.308 1617 H C 1.789 176.806 175.328 -0.518 0.000 1.047 1617 H CA 0.746 56.520 56.048 -0.456 0.000 1.371 1617 H CB 0.139 29.476 29.762 -0.710 0.000 1.449 1617 H HN 0.369 nan 8.280 nan 0.000 0.564 1618 W N 0.758 121.988 121.300 -0.116 0.000 2.480 1618 W HA -0.022 4.534 4.660 -0.174 0.000 0.299 1618 W C 2.430 178.649 176.519 -0.499 0.000 1.187 1618 W CA -0.256 56.879 57.345 -0.350 0.000 1.347 1618 W CB -0.403 29.005 29.460 -0.087 0.000 1.121 1618 W HN 0.093 nan 8.180 nan 0.000 0.533 1619 L N 0.467 121.732 121.223 0.071 0.000 2.013 1619 L HA -0.184 4.053 4.340 -0.173 0.000 0.212 1619 L C -0.606 176.243 176.870 -0.035 0.000 1.073 1619 L CA 2.183 57.074 54.840 0.086 0.000 0.753 1619 L CB -2.175 39.937 42.059 0.089 0.000 0.890 1619 L HN -0.161 nan 8.230 nan 0.000 0.432 1620 P HA -0.108 nan 4.420 nan 0.000 0.221 1620 P C 1.400 178.600 177.300 -0.165 0.000 1.150 1620 P CA 1.141 64.173 63.100 -0.114 0.000 0.800 1620 P CB -0.004 31.618 31.700 -0.130 0.000 0.787 1621 R N -1.416 118.883 120.500 -0.336 0.000 2.189 1621 R HA 0.000 4.237 4.340 -0.173 0.000 0.223 1621 R C 1.241 177.449 176.300 -0.154 0.000 1.092 1621 R CA 0.972 56.862 56.100 -0.350 0.000 0.989 1621 R CB -0.538 29.422 30.300 -0.566 0.000 0.876 1621 R HN 0.308 nan 8.270 nan 0.000 0.457 1622 F N -0.503 119.479 119.950 0.054 0.000 2.639 1622 F HA 0.261 4.684 4.527 -0.173 0.000 0.300 1622 F C 1.299 177.118 175.800 0.032 0.000 1.109 1622 F CA -0.180 57.854 58.000 0.057 0.000 1.335 1622 F CB 0.995 40.045 39.000 0.082 0.000 1.014 1622 F HN 0.123 nan 8.300 nan 0.000 0.537 1623 G N 1.708 110.591 108.800 0.138 0.000 2.143 1623 G HA2 -0.317 3.540 3.960 -0.173 0.000 0.248 1623 G HA3 -0.317 3.540 3.960 -0.173 0.000 0.248 1623 G C -0.015 174.924 174.900 0.066 0.000 0.991 1623 G CA -0.267 44.881 45.100 0.080 0.000 0.689 1623 G HN 0.374 nan 8.290 nan 0.000 0.522 1624 I N 1.112 121.724 120.570 0.070 0.000 2.315 1624 I HA 0.302 4.368 4.170 -0.173 0.000 0.291 1624 I C 0.478 176.602 176.117 0.012 0.000 1.006 1624 I CA -0.630 60.694 61.300 0.041 0.000 1.265 1624 I CB 1.079 39.107 38.000 0.047 0.000 1.387 1624 I HN 0.115 nan 8.210 nan 0.000 0.475 1625 E N 5.399 125.617 120.200 0.031 0.000 2.316 1625 E HA 0.377 4.623 4.350 -0.173 0.000 0.275 1625 E C -1.005 175.632 176.600 0.062 0.000 1.029 1625 E CA -0.323 56.117 56.400 0.067 0.000 0.871 1625 E CB 1.614 31.383 29.700 0.114 0.000 1.022 1625 E HN 0.274 nan 8.360 nan 0.000 0.418 1626 V N 3.821 123.750 119.914 0.025 0.000 2.577 1626 V HA 0.237 4.254 4.120 -0.173 0.000 0.303 1626 V C -0.739 175.362 176.094 0.012 0.000 1.042 1626 V CA -0.900 61.363 62.300 -0.061 0.000 0.872 1626 V CB 2.026 33.791 31.823 -0.096 0.000 0.998 1626 V HN 0.654 nan 8.190 nan 0.000 0.423 1627 D N 4.371 124.771 120.400 0.000 0.000 2.375 1627 D HA 0.508 5.045 4.640 -0.173 0.000 0.247 1627 D C -0.653 175.658 176.300 0.018 0.000 1.061 1627 D CA -0.277 53.753 54.000 0.050 0.000 0.834 1627 D CB 2.693 43.571 40.800 0.130 0.000 1.247 1627 D HN 0.307 nan 8.370 nan 0.000 0.489 1628 L N 3.524 124.774 121.223 0.044 0.000 2.276 1628 L HA 0.563 4.799 4.340 -0.173 0.000 0.286 1628 L C 0.387 177.291 176.870 0.058 0.000 1.061 1628 L CA -0.664 54.214 54.840 0.064 0.000 0.807 1628 L CB 0.676 42.780 42.059 0.075 0.000 1.177 1628 L HN 0.360 nan 8.230 nan 0.000 0.429 1629 I N -1.115 119.493 120.570 0.063 0.000 3.191 1629 I HA 0.471 4.538 4.170 -0.173 0.000 0.313 1629 I C -0.828 175.326 176.117 0.062 0.000 1.193 1629 I CA -0.983 60.352 61.300 0.060 0.000 0.968 1629 I CB 2.228 40.267 38.000 0.065 0.000 1.262 1629 I HN 0.315 nan 8.210 nan 0.000 0.456 1630 D N 1.998 122.429 120.400 0.053 0.000 2.402 1630 D HA 0.168 4.704 4.640 -0.173 0.000 0.235 1630 D C 1.025 177.356 176.300 0.052 0.000 1.226 1630 D CA 0.108 54.136 54.000 0.047 0.000 0.918 1630 D CB 0.712 41.532 40.800 0.035 0.000 1.043 1630 D HN 0.718 nan 8.370 nan 0.000 0.506 1631 T N -0.455 114.134 114.554 0.059 0.000 3.148 1631 T HA -0.085 4.162 4.350 -0.173 0.000 0.253 1631 T C 1.670 176.400 174.700 0.050 0.000 1.134 1631 T CA 0.426 62.563 62.100 0.062 0.000 1.051 1631 T CB -0.292 68.618 68.868 0.069 0.000 0.959 1631 T HN 0.255 nan 8.240 nan 0.000 0.525 1632 S N 0.440 116.165 115.700 0.041 0.000 2.555 1632 S HA 0.013 4.379 4.470 -0.173 0.000 0.230 1632 S C 0.353 174.967 174.600 0.023 0.000 0.978 1632 S CA -0.007 58.211 58.200 0.030 0.000 0.934 1632 S CB -0.281 62.929 63.200 0.017 0.000 0.766 1632 S HN 0.510 nan 8.310 nan 0.000 0.533 1633 D N 0.549 120.967 120.400 0.029 0.000 2.505 1633 D HA 0.268 4.804 4.640 -0.173 0.000 0.250 1633 D C 0.626 176.947 176.300 0.036 0.000 1.164 1633 D CA -0.624 53.391 54.000 0.025 0.000 0.870 1633 D CB 1.785 42.597 40.800 0.021 0.000 1.160 1633 D HN -0.086 nan 8.370 nan 0.000 0.549 1634 V N 4.409 124.341 119.914 0.030 0.000 2.490 1634 V HA -0.151 3.866 4.120 -0.173 0.000 0.250 1634 V C 1.682 177.798 176.094 0.037 0.000 1.061 1634 V CA 1.751 64.071 62.300 0.034 0.000 1.064 1634 V CB -0.105 31.729 31.823 0.018 0.000 0.670 1634 V HN 0.508 nan 8.190 nan 0.000 0.461 1635 E N 0.063 120.279 120.200 0.028 0.000 2.150 1635 E HA -0.209 4.038 4.350 -0.173 0.000 0.193 1635 E C 2.182 178.812 176.600 0.050 0.000 0.985 1635 E CA 1.115 57.532 56.400 0.029 0.000 0.814 1635 E CB -0.249 29.462 29.700 0.018 0.000 0.752 1635 E HN 0.633 nan 8.360 nan 0.000 0.466 1636 K N 0.463 120.896 120.400 0.055 0.000 2.148 1636 K HA -0.059 4.157 4.320 -0.173 0.000 0.204 1636 K C 2.195 178.858 176.600 0.105 0.000 1.050 1636 K CA 0.838 57.166 56.287 0.069 0.000 0.942 1636 K CB 0.033 32.566 32.500 0.057 0.000 0.724 1636 K HN -0.048 nan 8.250 nan 0.000 0.446 1637 V N 1.758 121.744 119.914 0.121 0.000 2.307 1637 V HA -0.247 3.770 4.120 -0.173 0.000 0.245 1637 V C 2.027 178.292 176.094 0.285 0.000 1.045 1637 V CA 1.665 64.083 62.300 0.197 0.000 1.024 1637 V CB -0.395 31.544 31.823 0.194 0.000 0.651 1637 V HN 0.269 nan 8.190 nan 0.000 0.449 1638 K N 0.503 121.003 120.400 0.167 0.000 2.063 1638 K HA -0.175 4.041 4.320 -0.173 0.000 0.208 1638 K C 2.278 178.982 176.600 0.172 0.000 1.048 1638 K CA 1.615 57.972 56.287 0.117 0.000 0.928 1638 K CB -0.457 32.044 32.500 0.002 0.000 0.713 1638 K HN 0.481 nan 8.250 nan 0.000 0.442 1639 A N 1.215 124.115 122.820 0.133 0.000 1.969 1639 A HA -0.045 4.171 4.320 -0.173 0.000 0.218 1639 A C 2.233 179.902 177.584 0.142 0.000 1.169 1639 A CA 1.648 53.753 52.037 0.114 0.000 0.635 1639 A CB -0.421 18.624 19.000 0.074 0.000 0.810 1639 A HN 0.333 nan 8.150 nan 0.000 0.445 1640 A N -2.025 120.902 122.820 0.179 0.000 2.169 1640 A HA 0.086 4.302 4.320 -0.173 0.000 0.212 1640 A C 0.897 178.610 177.584 0.216 0.000 1.153 1640 A CA -0.380 51.758 52.037 0.169 0.000 0.756 1640 A CB -0.383 18.712 19.000 0.158 0.000 0.813 1640 A HN 0.670 nan 8.150 nan 0.000 0.471 1641 W N 1.572 122.919 121.300 0.078 0.000 2.231 1641 W HA 0.248 4.804 4.660 -0.174 0.000 0.341 1641 W C -0.268 176.275 176.519 0.040 0.000 1.298 1641 W CA 0.780 58.175 57.345 0.084 0.000 1.266 1641 W CB 0.362 29.852 29.460 0.050 0.000 1.172 1641 W HN 0.125 nan 8.180 nan 0.000 0.568 1642 K N 4.332 124.706 120.400 -0.043 0.000 2.444 1642 K HA 0.249 4.466 4.320 -0.173 0.000 0.252 1642 K C -1.775 174.854 176.600 0.049 0.000 0.993 1642 K CA -1.572 54.695 56.287 -0.032 0.000 0.847 1642 K CB 2.047 34.391 32.500 -0.261 0.000 1.340 1642 K HN 0.016 nan 8.250 nan 0.000 0.446 1643 P HA -0.137 nan 4.420 nan 0.000 0.222 1643 P C 0.215 177.543 177.300 0.047 0.000 1.147 1643 P CA 1.161 64.314 63.100 0.088 0.000 0.790 1643 P CB 0.094 31.824 31.700 0.050 0.000 0.780 1644 N N -2.022 116.671 118.700 -0.011 0.000 2.235 1644 N HA 0.011 4.647 4.740 -0.173 0.000 0.209 1644 N C -0.400 175.091 175.510 -0.031 0.000 1.122 1644 N CA 0.187 53.231 53.050 -0.010 0.000 0.845 1644 N CB -0.997 37.483 38.487 -0.012 0.000 1.004 1644 N HN -0.120 nan 8.380 nan 0.000 0.499 1645 T N 1.633 116.109 114.554 -0.130 0.000 2.799 1645 T HA 0.156 4.402 4.350 -0.173 0.000 0.296 1645 T C 0.925 175.469 174.700 -0.261 0.000 0.947 1645 T CA -0.100 61.796 62.100 -0.341 0.000 1.141 1645 T CB 1.235 69.451 68.868 -1.087 0.000 0.891 1645 T HN 0.108 nan 8.240 nan 0.000 0.533 1646 K N 2.278 122.549 120.400 -0.214 0.000 2.412 1646 K HA 0.331 4.548 4.320 -0.173 0.000 0.202 1646 K C 0.162 176.693 176.600 -0.114 0.000 1.102 1646 K CA 0.104 56.331 56.287 -0.100 0.000 1.027 1646 K CB 0.862 33.334 32.500 -0.047 0.000 0.931 1646 K HN 0.557 nan 8.250 nan 0.000 0.557 1647 M N 0.836 120.312 119.600 -0.206 0.000 2.413 1647 M HA 0.273 4.649 4.480 -0.173 0.000 0.287 1647 M C -1.854 174.334 176.300 -0.186 0.000 1.186 1647 M CA -0.664 54.547 55.300 -0.148 0.000 0.927 1647 M CB 2.405 34.935 32.600 -0.117 0.000 1.715 1647 M HN -0.300 nan 8.290 nan 0.000 0.478 1648 V N 3.592 123.469 119.914 -0.062 0.000 2.555 1648 V HA 0.480 4.496 4.120 -0.173 0.000 0.302 1648 V C -1.598 174.527 176.094 0.052 0.000 1.038 1648 V CA -0.553 61.739 62.300 -0.014 0.000 0.887 1648 V CB 1.833 33.700 31.823 0.075 0.000 0.991 1648 V HN 0.761 nan 8.190 nan 0.000 0.434 1649 Y N 5.593 125.870 120.300 -0.038 0.000 2.326 1649 Y HA 0.747 5.194 4.550 -0.170 0.000 0.331 1649 Y C -0.937 175.014 175.900 0.085 0.000 0.962 1649 Y CA -0.672 57.452 58.100 0.039 0.000 1.167 1649 Y CB 1.297 39.806 38.460 0.080 0.000 1.148 1649 Y HN 0.526 nan 8.280 nan 0.000 0.463 1650 L N 5.296 126.338 121.223 -0.302 0.000 2.354 1650 L HA 0.587 4.823 4.340 -0.173 0.000 0.269 1650 L C -0.788 175.935 176.870 -0.244 0.000 1.005 1650 L CA -0.961 53.798 54.840 -0.134 0.000 0.819 1650 L CB 2.365 44.378 42.059 -0.077 0.000 1.311 1650 L HN 0.549 nan 8.230 nan 0.000 0.423 1651 E N 1.158 121.323 120.200 -0.059 0.000 2.176 1651 E HA 0.522 4.768 4.350 -0.173 0.000 0.267 1651 E C -1.378 175.202 176.600 -0.034 0.000 0.893 1651 E CA -0.266 56.099 56.400 -0.059 0.000 0.761 1651 E CB 2.222 31.914 29.700 -0.013 0.000 1.133 1651 E HN 0.425 nan 8.360 nan 0.000 0.409 1652 S N 4.000 119.686 115.700 -0.022 0.000 2.614 1652 S HA 0.455 4.822 4.470 -0.173 0.000 0.275 1652 S C -2.785 171.857 174.600 0.072 0.000 1.161 1652 S CA -1.457 56.759 58.200 0.027 0.000 0.969 1652 S CB 1.116 64.338 63.200 0.038 0.000 1.059 1652 S HN 0.195 nan 8.310 nan 0.000 0.482 1653 P HA 0.320 nan 4.420 nan 0.000 0.269 1653 P C -0.885 176.375 177.300 -0.067 0.000 1.215 1653 P CA -0.235 62.918 63.100 0.088 0.000 0.780 1653 P CB 0.440 32.228 31.700 0.146 0.000 0.898 1654 A N 2.185 124.958 122.820 -0.078 0.000 2.322 1654 A HA 0.295 4.512 4.320 -0.173 0.000 0.269 1654 A C 0.313 177.633 177.584 -0.441 0.000 1.094 1654 A CA -0.242 51.681 52.037 -0.191 0.000 0.807 1654 A CB -0.160 18.813 19.000 -0.045 0.000 1.047 1654 A HN 0.559 nan 8.150 nan 0.000 0.487 1655 N N 1.343 119.726 118.700 -0.527 0.000 2.414 1655 N HA 0.387 5.023 4.740 -0.173 0.000 0.256 1655 N C -2.202 173.269 175.510 -0.065 0.000 1.029 1655 N CA -2.096 50.670 53.050 -0.474 0.000 0.948 1655 N CB 1.538 39.825 38.487 -0.333 0.000 1.102 1655 N HN 0.278 nan 8.380 nan 0.000 0.496 1656 P HA 0.133 nan 4.420 nan 0.000 0.289 1656 P C 0.634 177.966 177.300 0.053 0.000 1.303 1656 P CA 0.267 63.374 63.100 0.012 0.000 0.946 1656 P CB 0.288 31.941 31.700 -0.080 0.000 1.454 1657 T N -3.899 110.657 114.554 0.003 0.000 3.085 1657 T HA -0.012 4.234 4.350 -0.173 0.000 0.263 1657 T C 1.038 175.846 174.700 0.179 0.000 1.127 1657 T CA 0.524 62.678 62.100 0.090 0.000 1.103 1657 T CB -1.592 67.322 68.868 0.076 0.000 0.921 1657 T HN 0.059 nan 8.240 nan 0.000 0.510 1658 C N 0.970 120.346 119.300 0.127 0.000 4.417 1658 C HA -0.127 4.230 4.460 -0.173 0.000 0.284 1658 C C 0.649 175.823 174.990 0.307 0.000 1.379 1658 C CA 0.178 59.274 59.018 0.129 0.000 1.918 1658 C CB -2.720 24.981 27.740 -0.065 0.000 1.280 1658 C HN 0.831 nan 8.230 nan 0.000 0.783 1659 K N 0.750 121.311 120.400 0.268 0.000 2.484 1659 K HA 0.286 4.502 4.320 -0.173 0.000 0.280 1659 K C -0.007 176.712 176.600 0.197 0.000 1.013 1659 K CA 0.306 56.743 56.287 0.249 0.000 1.029 1659 K CB 0.485 33.058 32.500 0.120 0.000 0.902 1659 K HN 0.299 nan 8.250 nan 0.000 0.481 1660 V N 4.216 124.256 119.914 0.210 0.000 2.370 1660 V HA 0.168 4.185 4.120 -0.173 0.000 0.279 1660 V C -0.349 175.802 176.094 0.095 0.000 1.029 1660 V CA -0.550 61.852 62.300 0.170 0.000 0.870 1660 V CB 1.533 33.495 31.823 0.232 0.000 0.984 1660 V HN 0.820 nan 8.190 nan 0.000 0.451 1661 S N 2.739 118.484 115.700 0.074 0.000 2.565 1661 S HA 0.290 4.656 4.470 -0.173 0.000 0.290 1661 S C -0.246 174.381 174.600 0.045 0.000 1.150 1661 S CA -0.552 57.680 58.200 0.052 0.000 1.058 1661 S CB 1.372 64.598 63.200 0.044 0.000 1.032 1661 S HN 0.865 nan 8.310 nan 0.000 0.510 1662 D N 1.814 122.236 120.400 0.036 0.000 2.435 1662 D HA 0.169 4.706 4.640 -0.173 0.000 0.230 1662 D C 0.825 177.138 176.300 0.022 0.000 1.215 1662 D CA -0.172 53.844 54.000 0.027 0.000 0.947 1662 D CB -0.232 40.580 40.800 0.020 0.000 1.048 1662 D HN 0.431 nan 8.370 nan 0.000 0.512 1663 I N 2.944 123.525 120.570 0.019 0.000 2.179 1663 I HA -0.232 3.834 4.170 -0.173 0.000 0.242 1663 I C 2.373 178.494 176.117 0.006 0.000 1.088 1663 I CA 0.881 62.187 61.300 0.010 0.000 1.357 1663 I CB -0.053 37.950 38.000 0.004 0.000 1.051 1663 I HN 0.333 nan 8.210 nan 0.000 0.409 1664 K N 1.047 121.448 120.400 0.002 0.000 2.026 1664 K HA -0.151 4.065 4.320 -0.173 0.000 0.208 1664 K C 2.112 178.708 176.600 -0.007 0.000 1.048 1664 K CA 1.730 58.014 56.287 -0.006 0.000 0.929 1664 K CB -0.493 32.002 32.500 -0.009 0.000 0.713 1664 K HN 0.351 nan 8.250 nan 0.000 0.439 1665 G N 0.899 109.698 108.800 -0.002 0.000 2.418 1665 G HA2 -0.220 3.636 3.960 -0.173 0.000 0.217 1665 G HA3 -0.220 3.636 3.960 -0.173 0.000 0.217 1665 G C 1.502 176.402 174.900 -0.000 0.000 1.158 1665 G CA 1.063 46.161 45.100 -0.004 0.000 0.771 1665 G HN 0.290 nan 8.290 nan 0.000 0.545 1666 I N 1.394 121.974 120.570 0.016 0.000 2.252 1666 I HA -0.141 3.926 4.170 -0.173 0.000 0.245 1666 I C 3.275 179.414 176.117 0.037 0.000 1.102 1666 I CA 0.863 62.185 61.300 0.037 0.000 1.385 1666 I CB -0.171 37.864 38.000 0.058 0.000 1.064 1666 I HN 0.235 nan 8.210 nan 0.000 0.414 1667 A N 0.451 123.285 122.820 0.024 0.000 1.908 1667 A HA -0.173 4.043 4.320 -0.173 0.000 0.218 1667 A C 2.440 180.042 177.584 0.030 0.000 1.181 1667 A CA 1.884 53.936 52.037 0.026 0.000 0.627 1667 A CB -0.984 18.017 19.000 0.003 0.000 0.818 1667 A HN 0.249 nan 8.150 nan 0.000 0.445 1668 V N -0.351 119.564 119.914 0.003 0.000 2.295 1668 V HA -0.250 3.767 4.120 -0.173 0.000 0.246 1668 V C 2.583 178.671 176.094 -0.011 0.000 1.049 1668 V CA 2.038 64.339 62.300 0.001 0.000 1.024 1668 V CB -0.861 30.949 31.823 -0.021 0.000 0.648 1668 V HN 0.389 nan 8.190 nan 0.000 0.447 1669 V N -1.050 118.827 119.914 -0.063 0.000 2.332 1669 V HA -0.323 3.694 4.120 -0.173 0.000 0.248 1669 V C 2.523 178.489 176.094 -0.213 0.000 1.055 1669 V CA 2.329 64.514 62.300 -0.191 0.000 1.038 1669 V CB -0.848 30.842 31.823 -0.222 0.000 0.651 1669 V HN 0.644 nan 8.190 nan 0.000 0.450 1670 C N -0.930 118.359 119.300 -0.018 0.000 2.453 1670 C HA -0.161 4.195 4.460 -0.173 0.000 0.277 1670 C C 2.702 177.746 174.990 0.091 0.000 1.262 1670 C CA 1.181 60.270 59.018 0.118 0.000 1.718 1670 C CB -1.319 26.522 27.740 0.169 0.000 2.031 1670 C HN 0.691 nan 8.230 nan 0.000 0.480 1671 H N 1.090 120.151 119.070 -0.014 0.000 2.319 1671 H HA -0.144 4.309 4.556 -0.172 0.000 0.299 1671 H C 2.024 177.331 175.328 -0.034 0.000 1.092 1671 H CA 2.006 58.043 56.048 -0.019 0.000 1.302 1671 H CB -0.245 29.501 29.762 -0.025 0.000 1.373 1671 H HN 0.565 nan 8.280 nan 0.000 0.497 1672 E N 0.018 120.187 120.200 -0.052 0.000 2.204 1672 E HA -0.135 4.112 4.350 -0.173 0.000 0.195 1672 E C 1.935 178.441 176.600 -0.157 0.000 0.990 1672 E CA 0.688 57.013 56.400 -0.125 0.000 0.821 1672 E CB 0.128 29.767 29.700 -0.101 0.000 0.750 1672 E HN 0.432 nan 8.360 nan 0.000 0.477 1673 R N -0.964 119.450 120.500 -0.143 0.000 2.437 1673 R HA 0.142 4.378 4.340 -0.173 0.000 0.257 1673 R C 0.413 176.779 176.300 0.111 0.000 0.927 1673 R CA 0.419 56.470 56.100 -0.082 0.000 1.078 1673 R CB 1.269 31.348 30.300 -0.369 0.000 1.161 1673 R HN 0.149 nan 8.270 nan 0.000 0.529 1674 G N 1.263 110.091 108.800 0.047 0.000 2.248 1674 G HA2 -0.232 3.624 3.960 -0.173 0.000 0.263 1674 G HA3 -0.232 3.624 3.960 -0.173 0.000 0.263 1674 G C -0.254 174.718 174.900 0.121 0.000 1.082 1674 G CA 0.208 45.342 45.100 0.056 0.000 0.863 1674 G HN 0.462 nan 8.290 nan 0.000 0.495 1675 A N -0.399 122.520 122.820 0.165 0.000 2.454 1675 A HA 0.907 5.124 4.320 -0.173 0.000 0.302 1675 A C 0.257 177.882 177.584 0.068 0.000 1.079 1675 A CA -0.739 51.386 52.037 0.148 0.000 0.731 1675 A CB 1.219 20.401 19.000 0.303 0.000 1.299 1675 A HN 0.467 nan 8.150 nan 0.000 0.413 1676 R N 0.119 120.606 120.500 -0.022 0.000 2.441 1676 R HA 0.409 4.646 4.340 -0.173 0.000 0.284 1676 R C -1.081 175.199 176.300 -0.033 0.000 1.070 1676 R CA -0.507 55.544 56.100 -0.081 0.000 1.047 1676 R CB 1.000 31.158 30.300 -0.235 0.000 1.016 1676 R HN 0.542 nan 8.270 nan 0.000 0.477 1677 L N 3.888 125.096 121.223 -0.026 0.000 2.287 1677 L HA 0.377 4.614 4.340 -0.173 0.000 0.287 1677 L C -1.168 175.669 176.870 -0.054 0.000 1.022 1677 L CA -0.410 54.421 54.840 -0.015 0.000 0.814 1677 L CB 1.813 43.877 42.059 0.009 0.000 1.217 1677 L HN 0.267 nan 8.230 nan 0.000 0.420 1678 V N 5.830 125.702 119.914 -0.070 0.000 2.495 1678 V HA 0.611 4.627 4.120 -0.173 0.000 0.298 1678 V C -0.543 175.380 176.094 -0.286 0.000 1.031 1678 V CA -0.661 61.573 62.300 -0.111 0.000 0.871 1678 V CB 1.892 33.726 31.823 0.019 0.000 0.988 1678 V HN 0.520 nan 8.190 nan 0.000 0.432 1679 V N 3.263 123.025 119.914 -0.253 0.000 2.483 1679 V HA 0.403 4.420 4.120 -0.173 0.000 0.297 1679 V C -0.628 175.293 176.094 -0.289 0.000 1.027 1679 V CA -0.587 61.541 62.300 -0.288 0.000 0.855 1679 V CB 2.020 33.750 31.823 -0.155 0.000 0.995 1679 V HN 0.903 nan 8.190 nan 0.000 0.424 1680 D N 4.245 124.444 120.400 -0.335 0.000 2.380 1680 D HA 0.464 5.000 4.640 -0.173 0.000 0.230 1680 D C 0.468 176.673 176.300 -0.158 0.000 1.154 1680 D CA -0.182 53.695 54.000 -0.205 0.000 0.859 1680 D CB 1.865 42.617 40.800 -0.081 0.000 1.045 1680 D HN 0.645 nan 8.370 nan 0.000 0.495 1681 A N 3.294 125.957 122.820 -0.262 0.000 2.545 1681 A HA 0.142 4.358 4.320 -0.173 0.000 0.277 1681 A C 1.787 179.442 177.584 0.118 0.000 1.301 1681 A CA -0.254 51.722 52.037 -0.102 0.000 0.935 1681 A CB -0.059 18.884 19.000 -0.096 0.000 1.093 1681 A HN 0.564 nan 8.150 nan 0.000 0.519 1682 T N 0.003 114.647 114.554 0.151 0.000 2.620 1682 T HA -0.220 4.027 4.350 -0.173 0.000 0.267 1682 T C 1.331 176.338 174.700 0.512 0.000 1.044 1682 T CA 2.046 64.377 62.100 0.385 0.000 1.161 1682 T CB -0.435 68.609 68.868 0.293 0.000 0.862 1682 T HN 0.474 nan 8.240 nan 0.000 0.438 1683 F N 1.373 121.450 119.950 0.212 0.000 2.408 1683 F HA -0.022 4.400 4.527 -0.175 0.000 0.300 1683 F C 2.469 178.395 175.800 0.210 0.000 1.090 1683 F CA 0.778 58.930 58.000 0.253 0.000 1.427 1683 F CB -0.511 38.587 39.000 0.163 0.000 1.070 1683 F HN 0.177 nan 8.300 nan 0.000 0.549 1684 T N -1.943 112.794 114.554 0.305 0.000 2.969 1684 T HA 0.156 4.403 4.350 -0.173 0.000 0.250 1684 T C 0.370 175.107 174.700 0.063 0.000 1.021 1684 T CA 0.673 62.875 62.100 0.170 0.000 1.003 1684 T CB -0.117 68.884 68.868 0.221 0.000 1.040 1684 T HN 0.253 nan 8.240 nan 0.000 0.492 1685 S N 1.641 117.419 115.700 0.129 0.000 3.493 1685 S HA -0.078 4.288 4.470 -0.173 0.000 0.825 1685 S C -2.607 172.000 174.600 0.013 0.000 1.181 1685 S CA -0.087 58.121 58.200 0.013 0.000 1.045 1685 S CB -1.120 61.964 63.200 -0.194 0.000 0.630 1685 S HN 0.169 nan 8.310 nan 0.000 0.345 1686 P HA 0.164 nan 4.420 nan 0.000 0.242 1686 P C 1.449 178.675 177.300 -0.122 0.000 1.197 1686 P CA 0.972 64.043 63.100 -0.049 0.000 0.765 1686 P CB -0.653 30.986 31.700 -0.102 0.000 0.936 1687 C N -1.898 117.230 119.300 -0.286 0.000 2.432 1687 C HA 0.029 4.385 4.460 -0.173 0.000 0.280 1687 C C 2.279 177.082 174.990 -0.311 0.000 1.353 1687 C CA 0.719 59.472 59.018 -0.440 0.000 1.766 1687 C CB -1.900 25.314 27.740 -0.876 0.000 1.924 1687 C HN 0.213 nan 8.230 nan 0.000 0.509 1688 F N -1.932 117.991 119.950 -0.046 0.000 2.747 1688 F HA 0.361 5.016 4.527 0.213 0.000 0.305 1688 F C 0.326 176.099 175.800 -0.044 0.000 1.065 1688 F CA -0.458 57.501 58.000 -0.070 0.000 1.230 1688 F CB 0.420 39.355 39.000 -0.108 0.000 1.027 1688 F HN -0.054 nan 8.300 nan 0.000 0.607 1689 L N 1.474 122.797 121.223 0.168 0.000 2.372 1689 L HA 0.431 4.668 4.340 -0.173 0.000 0.274 1689 L C -0.911 176.018 176.870 0.098 0.000 0.988 1689 L CA -0.539 54.373 54.840 0.120 0.000 0.833 1689 L CB 1.400 43.536 42.059 0.130 0.000 1.236 1689 L HN -0.078 nan 8.230 nan 0.000 0.410 1690 K N 6.622 127.060 120.400 0.064 0.000 2.562 1690 K HA 0.375 4.592 4.320 -0.173 0.000 0.206 1690 K C -2.008 174.610 176.600 0.030 0.000 1.033 1690 K CA -1.450 54.867 56.287 0.050 0.000 1.029 1690 K CB 1.181 33.699 32.500 0.031 0.000 1.393 1690 K HN 0.362 nan 8.250 nan 0.000 0.539 1691 P HA -0.176 nan 4.420 nan 0.000 0.218 1691 P C 0.932 178.230 177.300 -0.004 0.000 1.148 1691 P CA 1.067 64.167 63.100 0.001 0.000 0.822 1691 P CB 0.233 31.919 31.700 -0.023 0.000 0.784 1692 L N -0.835 120.389 121.223 0.003 0.000 2.131 1692 L HA -0.165 4.072 4.340 -0.173 0.000 0.210 1692 L C 2.269 179.135 176.870 -0.007 0.000 1.092 1692 L CA 1.427 56.266 54.840 -0.002 0.000 0.759 1692 L CB -0.915 41.147 42.059 0.005 0.000 0.903 1692 L HN -0.039 nan 8.230 nan 0.000 0.435 1693 E N 0.193 120.391 120.200 -0.002 0.000 2.347 1693 E HA -0.090 4.157 4.350 -0.173 0.000 0.196 1693 E C 1.897 178.490 176.600 -0.012 0.000 1.008 1693 E CA 0.634 57.030 56.400 -0.007 0.000 0.852 1693 E CB 0.073 29.773 29.700 -0.001 0.000 0.783 1693 E HN 0.438 nan 8.360 nan 0.000 0.505 1694 L N -1.864 119.353 121.223 -0.010 0.000 2.607 1694 L HA 0.306 4.542 4.340 -0.173 0.000 0.228 1694 L C 1.309 178.166 176.870 -0.022 0.000 1.123 1694 L CA 0.383 55.215 54.840 -0.014 0.000 0.890 1694 L CB 0.446 42.502 42.059 -0.006 0.000 1.103 1694 L HN 0.305 nan 8.230 nan 0.000 0.468 1695 G N -0.286 108.499 108.800 -0.026 0.000 2.211 1695 G HA2 -0.200 3.656 3.960 -0.173 0.000 0.201 1695 G HA3 -0.200 3.656 3.960 -0.173 0.000 0.201 1695 G C 0.441 175.330 174.900 -0.018 0.000 0.997 1695 G CA -0.186 44.894 45.100 -0.033 0.000 0.652 1695 G HN 0.404 nan 8.290 nan 0.000 0.500 1696 A N 0.412 123.222 122.820 -0.017 0.000 2.466 1696 A HA 0.519 4.736 4.320 -0.173 0.000 0.238 1696 A C 1.154 178.725 177.584 -0.021 0.000 1.074 1696 A CA 0.978 53.003 52.037 -0.020 0.000 0.774 1696 A CB 0.271 19.252 19.000 -0.031 0.000 1.015 1696 A HN 0.215 nan 8.150 nan 0.000 0.498 1697 D N 0.049 120.429 120.400 -0.033 0.000 2.240 1697 D HA 0.152 4.689 4.640 -0.173 0.000 0.206 1697 D C 0.078 176.355 176.300 -0.039 0.000 0.963 1697 D CA 1.319 55.291 54.000 -0.046 0.000 0.863 1697 D CB 0.235 40.980 40.800 -0.091 0.000 0.973 1697 D HN 0.502 nan 8.370 nan 0.000 0.501 1698 I N 0.308 120.856 120.570 -0.036 0.000 2.656 1698 I HA 0.402 4.469 4.170 -0.173 0.000 0.292 1698 I C -1.148 174.959 176.117 -0.016 0.000 1.144 1698 I CA -0.865 60.433 61.300 -0.003 0.000 1.038 1698 I CB 2.536 40.546 38.000 0.017 0.000 1.244 1698 I HN -0.241 nan 8.210 nan 0.000 0.420 1699 A N 6.671 129.494 122.820 0.005 0.000 2.343 1699 A HA 0.930 5.147 4.320 -0.173 0.000 0.316 1699 A C -1.078 176.490 177.584 -0.027 0.000 1.104 1699 A CA -0.432 51.583 52.037 -0.036 0.000 0.768 1699 A CB 1.305 20.303 19.000 -0.004 0.000 1.213 1699 A HN 0.608 nan 8.150 nan 0.000 0.456 1700 L N -0.293 120.840 121.223 -0.151 0.000 2.327 1700 L HA 0.851 5.087 4.340 -0.173 0.000 0.258 1700 L C -0.656 176.015 176.870 -0.331 0.000 1.024 1700 L CA -0.531 54.263 54.840 -0.076 0.000 0.825 1700 L CB 1.689 43.769 42.059 0.034 0.000 1.386 1700 L HN 0.656 nan 8.230 nan 0.000 0.417 1701 H N -0.608 118.535 119.070 0.123 0.000 2.974 1701 H HA 0.308 4.758 4.556 -0.177 0.000 0.366 1701 H C -1.177 174.229 175.328 0.129 0.000 1.155 1701 H CA -0.746 55.378 56.048 0.128 0.000 1.186 1701 H CB 2.308 32.154 29.762 0.140 0.000 1.799 1701 H HN 0.797 nan 8.280 nan 0.000 0.541 1702 S N 1.857 117.683 115.700 0.211 0.000 2.437 1702 S HA 0.065 4.432 4.470 -0.173 0.000 0.304 1702 S C 1.318 176.022 174.600 0.173 0.000 1.167 1702 S CA -0.530 57.755 58.200 0.142 0.000 1.106 1702 S CB -0.291 62.931 63.200 0.037 0.000 1.099 1702 S HN 0.420 nan 8.310 nan 0.000 0.524 1703 V N 5.411 125.437 119.914 0.188 0.000 2.720 1703 V HA -0.112 3.904 4.120 -0.173 0.000 0.256 1703 V C 2.324 178.460 176.094 0.069 0.000 1.082 1703 V CA 1.900 64.297 62.300 0.162 0.000 1.101 1703 V CB -0.881 31.062 31.823 0.201 0.000 0.693 1703 V HN 0.887 nan 8.190 nan 0.000 0.479 1704 S N -0.369 115.355 115.700 0.040 0.000 2.440 1704 S HA -0.160 4.207 4.470 -0.173 0.000 0.240 1704 S C 1.554 176.129 174.600 -0.042 0.000 1.014 1704 S CA 1.120 59.317 58.200 -0.005 0.000 0.980 1704 S CB -0.136 63.054 63.200 -0.017 0.000 0.775 1704 S HN 0.560 nan 8.310 nan 0.000 0.499 1705 K N 0.781 121.155 120.400 -0.044 0.000 4.047 1705 K HA 0.277 4.493 4.320 -0.173 0.000 0.172 1705 K C 1.544 178.045 176.600 -0.166 0.000 1.146 1705 K CA 0.222 56.406 56.287 -0.172 0.000 1.760 1705 K CB -1.185 31.196 32.500 -0.199 0.000 2.442 1705 K HN 0.231 nan 8.250 nan 0.000 0.539 1706 Y N 1.307 121.583 120.300 -0.039 0.000 2.181 1706 Y HA -0.087 4.382 4.550 -0.136 0.000 0.288 1706 Y C 2.438 178.335 175.900 -0.006 0.000 1.146 1706 Y CA 0.991 59.057 58.100 -0.056 0.000 1.164 1706 Y CB -0.445 37.962 38.460 -0.088 0.000 0.982 1706 Y HN 0.136 nan 8.280 nan 0.000 0.515 1707 I N -0.097 120.563 120.570 0.150 0.000 2.142 1707 I HA -0.342 3.725 4.170 -0.173 0.000 0.240 1707 I C 2.287 178.478 176.117 0.124 0.000 1.078 1707 I CA 1.853 63.221 61.300 0.113 0.000 1.343 1707 I CB -0.415 37.650 38.000 0.108 0.000 1.046 1707 I HN 0.244 nan 8.210 nan 0.000 0.405 1708 N N 0.556 119.310 118.700 0.091 0.000 2.080 1708 N HA -0.130 4.507 4.740 -0.173 0.000 0.189 1708 N C 1.499 177.118 175.510 0.182 0.000 1.036 1708 N CA 2.141 55.237 53.050 0.077 0.000 0.846 1708 N CB -0.171 38.323 38.487 0.011 0.000 1.015 1708 N HN 0.403 nan 8.380 nan 0.000 0.423 1709 G N -1.726 107.134 108.800 0.100 0.000 2.212 1709 G HA2 -0.307 3.549 3.960 -0.173 0.000 0.266 1709 G HA3 -0.307 3.549 3.960 -0.173 0.000 0.266 1709 G C 0.495 175.337 174.900 -0.097 0.000 0.978 1709 G CA 0.981 46.105 45.100 0.040 0.000 0.632 1709 G HN 0.614 nan 8.290 nan 0.000 0.537 1710 H N -0.446 118.621 119.070 -0.006 0.000 2.672 1710 H HA 0.451 4.905 4.556 -0.170 0.000 0.277 1710 H C 1.890 177.209 175.328 -0.015 0.000 1.074 1710 H CA 0.637 56.682 56.048 -0.005 0.000 1.173 1710 H CB 0.595 30.352 29.762 -0.010 0.000 1.558 1710 H HN 1.198 nan 8.280 nan 0.000 0.539 1711 G N 1.853 110.680 108.800 0.044 0.000 2.198 1711 G HA2 -0.317 3.539 3.960 -0.173 0.000 0.260 1711 G HA3 -0.317 3.539 3.960 -0.173 0.000 0.260 1711 G C 0.304 175.217 174.900 0.022 0.000 1.025 1711 G CA 0.874 45.978 45.100 0.008 0.000 0.769 1711 G HN 0.610 nan 8.290 nan 0.000 0.507 1712 D N -1.694 118.727 120.400 0.035 0.000 2.556 1712 D HA 0.384 4.921 4.640 -0.173 0.000 0.237 1712 D C 0.299 176.606 176.300 0.011 0.000 1.296 1712 D CA 0.003 54.019 54.000 0.026 0.000 0.807 1712 D CB 0.520 41.343 40.800 0.038 0.000 1.084 1712 D HN 0.467 nan 8.370 nan 0.000 0.510 1713 V N 0.779 120.695 119.914 0.002 0.000 2.888 1713 V HA 0.414 4.431 4.120 -0.173 0.000 0.309 1713 V C -0.607 175.482 176.094 -0.009 0.000 1.114 1713 V CA -0.841 61.452 62.300 -0.012 0.000 0.940 1713 V CB 2.657 34.456 31.823 -0.041 0.000 1.021 1713 V HN 0.048 nan 8.190 nan 0.000 0.426 1714 I N 3.038 123.607 120.570 -0.001 0.000 2.354 1714 I HA 0.817 4.883 4.170 -0.173 0.000 0.292 1714 I C 0.563 176.693 176.117 0.022 0.000 0.989 1714 I CA -0.006 61.300 61.300 0.010 0.000 1.188 1714 I CB 1.786 39.797 38.000 0.018 0.000 1.342 1714 I HN 0.804 nan 8.210 nan 0.000 0.457 1715 G N 3.394 112.219 108.800 0.041 0.000 2.646 1715 G HA2 0.678 4.535 3.960 -0.173 0.000 0.291 1715 G HA3 0.678 4.535 3.960 -0.173 0.000 0.291 1715 G C -1.417 173.573 174.900 0.150 0.000 1.445 1715 G CA -0.622 44.526 45.100 0.080 0.000 0.814 1715 G HN 0.775 nan 8.290 nan 0.000 0.495 1716 G N -1.696 107.256 108.800 0.253 0.000 2.574 1716 G HA2 0.794 4.651 3.960 -0.173 0.000 0.299 1716 G HA3 0.794 4.651 3.960 -0.173 0.000 0.299 1716 G C -1.659 173.529 174.900 0.479 0.000 1.298 1716 G CA -0.704 44.590 45.100 0.323 0.000 0.952 1716 G HN 1.466 nan 8.290 nan 0.000 0.477 1717 V N -0.180 120.006 119.914 0.453 0.000 2.888 1717 V HA 0.822 4.839 4.120 -0.173 0.000 0.309 1717 V C -0.850 175.488 176.094 0.407 0.000 1.114 1717 V CA -0.577 62.005 62.300 0.470 0.000 0.940 1717 V CB 2.282 34.312 31.823 0.346 0.000 1.021 1717 V HN 0.976 nan 8.190 nan 0.000 0.426 1718 S N 3.588 119.554 115.700 0.444 0.000 2.521 1718 S HA 0.822 5.189 4.470 -0.173 0.000 0.295 1718 S C -0.841 173.899 174.600 0.233 0.000 1.098 1718 S CA -0.368 58.023 58.200 0.319 0.000 0.999 1718 S CB 1.769 65.180 63.200 0.353 0.000 1.034 1718 S HN 0.889 nan 8.310 nan 0.000 0.483 1719 S N 2.476 118.272 115.700 0.160 0.000 2.532 1719 S HA 0.819 5.185 4.470 -0.173 0.000 0.299 1719 S C -0.675 173.980 174.600 0.093 0.000 1.105 1719 S CA -0.642 57.622 58.200 0.108 0.000 1.018 1719 S CB 1.642 64.888 63.200 0.076 0.000 1.021 1719 S HN 0.970 nan 8.310 nan 0.000 0.483 1720 A N 1.887 124.759 122.820 0.086 0.000 2.337 1720 A HA 0.623 4.839 4.320 -0.173 0.000 0.329 1720 A C 0.860 178.470 177.584 0.045 0.000 1.146 1720 A CA -0.765 51.317 52.037 0.075 0.000 0.800 1720 A CB 1.004 20.074 19.000 0.117 0.000 1.220 1720 A HN 0.861 nan 8.150 nan 0.000 0.472 1721 K N 0.880 121.295 120.400 0.026 0.000 2.147 1721 K HA -0.070 4.147 4.320 -0.173 0.000 0.205 1721 K C 0.829 177.442 176.600 0.021 0.000 1.049 1721 K CA 1.971 58.268 56.287 0.016 0.000 0.936 1721 K CB -0.112 32.391 32.500 0.004 0.000 0.722 1721 K HN 0.830 nan 8.250 nan 0.000 0.446 1722 T N -3.473 111.099 114.554 0.031 0.000 2.925 1722 T HA 0.596 4.842 4.350 -0.173 0.000 0.285 1722 T C 0.983 175.713 174.700 0.050 0.000 1.021 1722 T CA -0.509 61.612 62.100 0.036 0.000 1.042 1722 T CB 1.843 70.732 68.868 0.035 0.000 1.037 1722 T HN 0.072 nan 8.240 nan 0.000 0.481 1723 A N 1.676 124.521 122.820 0.041 0.000 1.933 1723 A HA -0.099 4.118 4.320 -0.173 0.000 0.218 1723 A C 2.247 179.868 177.584 0.061 0.000 1.175 1723 A CA 1.424 53.487 52.037 0.043 0.000 0.628 1723 A CB -0.692 18.323 19.000 0.026 0.000 0.814 1723 A HN 0.944 nan 8.150 nan 0.000 0.444 1724 E N 0.471 120.710 120.200 0.065 0.000 2.106 1724 E HA -0.198 4.048 4.350 -0.173 0.000 0.192 1724 E C 0.961 177.644 176.600 0.137 0.000 0.984 1724 E CA 1.352 57.800 56.400 0.080 0.000 0.806 1724 E CB -0.689 29.050 29.700 0.065 0.000 0.750 1724 E HN 0.531 nan 8.360 nan 0.000 0.458 1725 D N 0.890 121.391 120.400 0.168 0.000 2.117 1725 D HA -0.066 4.470 4.640 -0.173 0.000 0.198 1725 D C 1.965 178.444 176.300 0.298 0.000 0.982 1725 D CA 0.453 54.634 54.000 0.301 0.000 0.828 1725 D CB -0.237 40.679 40.800 0.195 0.000 0.967 1725 D HN 0.143 nan 8.370 nan 0.000 0.464 1726 I N 0.694 121.376 120.570 0.187 0.000 2.394 1726 I HA -0.125 3.941 4.170 -0.173 0.000 0.251 1726 I C 1.977 178.182 176.117 0.146 0.000 1.136 1726 I CA 0.748 62.147 61.300 0.165 0.000 1.425 1726 I CB -0.239 37.827 38.000 0.110 0.000 1.079 1726 I HN -0.082 nan 8.210 nan 0.000 0.425 1727 A N -0.796 122.099 122.820 0.125 0.000 1.902 1727 A HA -0.200 4.017 4.320 -0.173 0.000 0.217 1727 A C 2.342 180.016 177.584 0.151 0.000 1.181 1727 A CA 2.387 54.495 52.037 0.118 0.000 0.623 1727 A CB -1.324 17.728 19.000 0.086 0.000 0.818 1727 A HN 0.443 nan 8.150 nan 0.000 0.443 1728 T N 0.266 114.895 114.554 0.124 0.000 2.746 1728 T HA -0.080 4.167 4.350 -0.173 0.000 0.267 1728 T C 1.799 176.542 174.700 0.072 0.000 1.039 1728 T CA 1.474 63.605 62.100 0.051 0.000 1.142 1728 T CB -0.394 68.435 68.868 -0.064 0.000 0.866 1728 T HN 0.420 nan 8.240 nan 0.000 0.444 1729 I N 0.785 121.413 120.570 0.097 0.000 2.163 1729 I HA -0.205 3.861 4.170 -0.173 0.000 0.243 1729 I C 2.509 178.789 176.117 0.272 0.000 1.085 1729 I CA 1.441 62.847 61.300 0.177 0.000 1.347 1729 I CB -0.268 37.898 38.000 0.276 0.000 1.044 1729 I HN 0.198 nan 8.210 nan 0.000 0.408 1730 K N -0.083 120.440 120.400 0.205 0.000 2.211 1730 K HA -0.175 4.041 4.320 -0.173 0.000 0.203 1730 K C 2.088 178.778 176.600 0.150 0.000 1.050 1730 K CA 1.319 57.690 56.287 0.139 0.000 0.945 1730 K CB -0.226 32.321 32.500 0.077 0.000 0.732 1730 K HN 0.193 nan 8.250 nan 0.000 0.451 1731 F N 0.480 120.473 119.950 0.072 0.000 2.186 1731 F HA -0.227 4.196 4.527 -0.173 0.000 0.299 1731 F C 2.255 178.095 175.800 0.067 0.000 1.090 1731 F CA 1.177 59.209 58.000 0.053 0.000 1.307 1731 F CB -0.176 38.843 39.000 0.033 0.000 1.019 1731 F HN 0.002 nan 8.300 nan 0.000 0.489 1732 Y N 0.867 121.270 120.300 0.171 0.000 2.163 1732 Y HA -0.213 4.234 4.550 -0.172 0.000 0.288 1732 Y C 2.792 178.717 175.900 0.042 0.000 1.136 1732 Y CA 2.064 60.212 58.100 0.081 0.000 1.147 1732 Y CB -0.532 37.952 38.460 0.039 0.000 0.987 1732 Y HN -0.032 nan 8.280 nan 0.000 0.509 1733 R N 0.949 121.602 120.500 0.256 0.000 2.105 1733 R HA -0.230 4.006 4.340 -0.173 0.000 0.239 1733 R C 2.443 178.730 176.300 -0.022 0.000 1.135 1733 R CA 1.948 58.164 56.100 0.194 0.000 0.967 1733 R CB -0.349 30.073 30.300 0.204 0.000 0.861 1733 R HN 0.365 nan 8.270 nan 0.000 0.442 1734 K N -0.048 120.292 120.400 -0.101 0.000 2.113 1734 K HA -0.184 4.032 4.320 -0.173 0.000 0.208 1734 K C 0.823 177.309 176.600 -0.191 0.000 1.047 1734 K CA 2.177 58.366 56.287 -0.165 0.000 0.928 1734 K CB 0.039 32.355 32.500 -0.307 0.000 0.716 1734 K HN 0.215 nan 8.250 nan 0.000 0.446 1735 D N -0.605 119.630 120.400 -0.276 0.000 2.277 1735 D HA 0.044 4.581 4.640 -0.173 0.000 0.209 1735 D C 1.631 177.767 176.300 -0.272 0.000 0.970 1735 D CA 0.935 54.774 54.000 -0.268 0.000 0.874 1735 D CB 0.140 40.760 40.800 -0.301 0.000 0.982 1735 D HN 0.320 nan 8.370 nan 0.000 0.504 1736 A N 0.217 122.814 122.820 -0.373 0.000 1.930 1736 A HA 0.342 4.558 4.320 -0.173 0.000 0.215 1736 A C 1.863 179.388 177.584 -0.099 0.000 1.176 1736 A CA 1.602 53.452 52.037 -0.312 0.000 0.632 1736 A CB -0.386 18.341 19.000 -0.455 0.000 0.819 1736 A HN 0.271 nan 8.150 nan 0.000 0.445 1737 G N -0.980 107.797 108.800 -0.038 0.000 2.132 1737 G HA2 -0.192 3.664 3.960 -0.173 0.000 0.234 1737 G HA3 -0.192 3.664 3.960 -0.173 0.000 0.234 1737 G C 0.375 175.315 174.900 0.067 0.000 0.989 1737 G CA 0.625 45.732 45.100 0.012 0.000 0.676 1737 G HN 1.195 nan 8.290 nan 0.000 0.522 1738 S N 0.518 116.308 115.700 0.149 0.000 2.485 1738 S HA 0.655 5.021 4.470 -0.173 0.000 0.312 1738 S C 0.592 175.324 174.600 0.219 0.000 1.102 1738 S CA -0.547 57.781 58.200 0.213 0.000 1.066 1738 S CB -0.215 63.164 63.200 0.300 0.000 1.102 1738 S HN 0.472 nan 8.310 nan 0.000 0.519 1739 L N 4.483 125.769 121.223 0.104 0.000 2.331 1739 L HA 0.575 4.811 4.340 -0.173 0.000 0.275 1739 L C 0.312 177.208 176.870 0.044 0.000 1.022 1739 L CA -0.781 54.079 54.840 0.033 0.000 0.812 1739 L CB 1.713 43.772 42.059 0.000 0.000 1.257 1739 L HN 0.517 nan 8.230 nan 0.000 0.435 1740 M N 2.409 122.019 119.600 0.017 0.000 2.162 1740 M HA 0.426 4.802 4.480 -0.173 0.000 0.356 1740 M C 0.137 176.440 176.300 0.006 0.000 1.303 1740 M CA -0.251 55.061 55.300 0.019 0.000 1.116 1740 M CB 1.090 33.700 32.600 0.016 0.000 1.632 1740 M HN 0.762 nan 8.290 nan 0.000 0.469 1741 A N 7.177 130.001 122.820 0.005 0.000 2.462 1741 A HA 0.337 4.553 4.320 -0.173 0.000 0.243 1741 A C -1.982 175.613 177.584 0.018 0.000 1.076 1741 A CA -1.261 50.778 52.037 0.004 0.000 0.773 1741 A CB -0.439 18.562 19.000 0.002 0.000 1.010 1741 A HN 0.756 nan 8.150 nan 0.000 0.493 1742 P HA -0.207 nan 4.420 nan 0.000 0.216 1742 P C 1.562 178.915 177.300 0.087 0.000 1.150 1742 P CA 1.674 64.820 63.100 0.076 0.000 0.843 1742 P CB -0.062 31.687 31.700 0.082 0.000 0.787 1743 M N -0.012 119.614 119.600 0.044 0.000 2.117 1743 M HA -0.131 4.246 4.480 -0.173 0.000 0.262 1743 M C 1.195 177.562 176.300 0.111 0.000 1.065 1743 M CA 1.887 57.222 55.300 0.058 0.000 1.114 1743 M CB -1.310 31.290 32.600 0.000 0.000 1.361 1743 M HN -0.266 nan 8.290 nan 0.000 0.408 1744 D N 0.237 120.660 120.400 0.038 0.000 2.144 1744 D HA -0.054 4.482 4.640 -0.173 0.000 0.199 1744 D C 1.992 178.238 176.300 -0.090 0.000 0.984 1744 D CA 1.700 55.690 54.000 -0.016 0.000 0.834 1744 D CB -0.391 40.387 40.800 -0.036 0.000 0.955 1744 D HN 0.519 nan 8.370 nan 0.000 0.465 1745 A N 0.261 123.044 122.820 -0.062 0.000 1.930 1745 A HA -0.134 4.082 4.320 -0.173 0.000 0.217 1745 A C 2.085 179.643 177.584 -0.042 0.000 1.175 1745 A CA 0.877 52.833 52.037 -0.134 0.000 0.627 1745 A CB -0.966 18.040 19.000 0.010 0.000 0.815 1745 A HN 0.286 nan 8.150 nan 0.000 0.443 1746 F N 0.726 120.648 119.950 -0.046 0.000 2.095 1746 F HA -0.178 4.247 4.527 -0.170 0.000 0.298 1746 F C 1.816 177.578 175.800 -0.064 0.000 1.104 1746 F CA 1.924 59.917 58.000 -0.012 0.000 1.232 1746 F CB -0.256 38.750 39.000 0.010 0.000 0.987 1746 F HN 0.142 nan 8.300 nan 0.000 0.475 1747 L N -0.756 120.431 121.223 -0.060 0.000 2.093 1747 L HA -0.243 3.993 4.340 -0.173 0.000 0.208 1747 L C 2.629 179.337 176.870 -0.270 0.000 1.085 1747 L CA 1.096 55.815 54.840 -0.201 0.000 0.755 1747 L CB -0.957 41.080 42.059 -0.037 0.000 0.904 1747 L HN 0.320 nan 8.230 nan 0.000 0.435 1748 C N -0.320 118.793 119.300 -0.311 0.000 2.453 1748 C HA -0.110 4.247 4.460 -0.173 0.000 0.277 1748 C C 3.153 177.997 174.990 -0.244 0.000 1.262 1748 C CA 0.710 59.478 59.018 -0.415 0.000 1.718 1748 C CB -0.962 26.188 27.740 -0.983 0.000 2.031 1748 C HN 0.614 nan 8.230 nan 0.000 0.480 1749 A N 0.368 123.078 122.820 -0.183 0.000 1.940 1749 A HA -0.239 3.978 4.320 -0.173 0.000 0.219 1749 A C 2.283 179.795 177.584 -0.119 0.000 1.176 1749 A CA 1.877 53.929 52.037 0.024 0.000 0.631 1749 A CB -0.659 18.359 19.000 0.030 0.000 0.814 1749 A HN 0.667 nan 8.150 nan 0.000 0.446 1750 R N -0.672 119.647 120.500 -0.302 0.000 2.066 1750 R HA -0.104 4.133 4.340 -0.173 0.000 0.232 1750 R C 2.280 178.449 176.300 -0.219 0.000 1.131 1750 R CA 1.538 57.431 56.100 -0.344 0.000 0.955 1750 R CB -0.669 29.287 30.300 -0.574 0.000 0.851 1750 R HN 0.461 nan 8.270 nan 0.000 0.432 1751 G N 0.658 109.341 108.800 -0.194 0.000 2.422 1751 G HA2 -0.279 3.578 3.960 -0.173 0.000 0.218 1751 G HA3 -0.279 3.578 3.960 -0.173 0.000 0.218 1751 G C 1.419 176.350 174.900 0.053 0.000 1.140 1751 G CA 0.594 45.657 45.100 -0.062 0.000 0.775 1751 G HN 0.307 nan 8.290 nan 0.000 0.545 1752 M N 0.267 119.888 119.600 0.036 0.000 2.374 1752 M HA 0.017 4.393 4.480 -0.173 0.000 0.264 1752 M C 2.115 178.427 176.300 0.022 0.000 1.067 1752 M CA 0.951 56.288 55.300 0.063 0.000 1.103 1752 M CB 0.042 32.716 32.600 0.124 0.000 1.402 1752 M HN 0.009 nan 8.290 nan 0.000 0.444 1753 K N -0.406 119.989 120.400 -0.008 0.000 2.211 1753 K HA -0.101 4.116 4.320 -0.173 0.000 0.204 1753 K C 1.625 178.227 176.600 0.003 0.000 1.047 1753 K CA 1.869 58.143 56.287 -0.021 0.000 0.935 1753 K CB -0.905 31.564 32.500 -0.051 0.000 0.728 1753 K HN 0.519 nan 8.250 nan 0.000 0.452 1754 T N -1.680 112.894 114.554 0.035 0.000 3.092 1754 T HA 0.120 4.366 4.350 -0.173 0.000 0.258 1754 T C 1.616 176.344 174.700 0.047 0.000 1.031 1754 T CA -0.314 61.816 62.100 0.050 0.000 0.925 1754 T CB 0.023 68.945 68.868 0.089 0.000 1.036 1754 T HN -0.059 nan 8.240 nan 0.000 0.544 1755 L N 2.511 123.757 121.223 0.037 0.000 1.990 1755 L HA 0.087 4.324 4.340 -0.173 0.000 0.213 1755 L C -0.956 175.896 176.870 -0.029 0.000 1.072 1755 L CA 2.119 56.971 54.840 0.021 0.000 0.755 1755 L CB -1.134 40.923 42.059 -0.004 0.000 0.889 1755 L HN 0.110 nan 8.230 nan 0.000 0.432 1756 P HA -0.100 nan 4.420 nan 0.000 0.217 1756 P C 1.994 179.274 177.300 -0.032 0.000 1.150 1756 P CA 1.572 64.620 63.100 -0.086 0.000 0.832 1756 P CB 0.013 31.678 31.700 -0.057 0.000 0.787 1757 I N -1.038 119.531 120.570 -0.001 0.000 2.286 1757 I HA -0.180 3.886 4.170 -0.173 0.000 0.245 1757 I C 2.506 178.632 176.117 0.016 0.000 1.104 1757 I CA 1.302 62.611 61.300 0.015 0.000 1.397 1757 I CB -0.334 37.675 38.000 0.016 0.000 1.072 1757 I HN -0.186 nan 8.210 nan 0.000 0.417 1758 R N -0.165 120.346 120.500 0.018 0.000 2.081 1758 R HA -0.139 4.098 4.340 -0.173 0.000 0.235 1758 R C 2.269 178.626 176.300 0.095 0.000 1.131 1758 R CA 1.277 57.378 56.100 0.002 0.000 0.960 1758 R CB -0.297 30.039 30.300 0.060 0.000 0.856 1758 R HN 0.241 nan 8.270 nan 0.000 0.436 1759 M N 0.657 120.335 119.600 0.130 0.000 2.117 1759 M HA -0.187 4.190 4.480 -0.173 0.000 0.262 1759 M C 2.212 178.693 176.300 0.302 0.000 1.065 1759 M CA 1.551 56.948 55.300 0.161 0.000 1.114 1759 M CB -0.966 31.473 32.600 -0.268 0.000 1.361 1759 M HN 0.223 nan 8.290 nan 0.000 0.408 1760 Q N 0.208 120.139 119.800 0.219 0.000 2.096 1760 Q HA -0.170 4.066 4.340 -0.173 0.000 0.204 1760 Q C 2.021 178.118 176.000 0.162 0.000 0.982 1760 Q CA 1.471 57.415 55.803 0.236 0.000 0.850 1760 Q CB -0.036 28.786 28.738 0.140 0.000 0.901 1760 Q HN 0.512 nan 8.270 nan 0.000 0.422 1761 I N -0.382 120.241 120.570 0.089 0.000 2.233 1761 I HA -0.267 3.800 4.170 -0.173 0.000 0.243 1761 I C 2.254 178.414 176.117 0.072 0.000 1.093 1761 I CA 0.758 62.075 61.300 0.028 0.000 1.380 1761 I CB -0.520 37.441 38.000 -0.066 0.000 1.067 1761 I HN 0.290 nan 8.210 nan 0.000 0.413 1762 H N 0.448 119.598 119.070 0.133 0.000 2.289 1762 H HA -0.277 4.163 4.556 -0.193 0.000 0.294 1762 H C 2.241 177.677 175.328 0.179 0.000 1.095 1762 H CA 2.264 58.413 56.048 0.168 0.000 1.256 1762 H CB -0.508 29.367 29.762 0.188 0.000 1.359 1762 H HN 0.362 nan 8.280 nan 0.000 0.487 1763 M N 0.706 120.502 119.600 0.325 0.000 2.080 1763 M HA -0.187 4.190 4.480 -0.173 0.000 0.260 1763 M C 2.052 178.456 176.300 0.174 0.000 1.068 1763 M CA 1.881 57.320 55.300 0.232 0.000 1.109 1763 M CB 0.004 32.668 32.600 0.108 0.000 1.342 1763 M HN 0.197 nan 8.290 nan 0.000 0.405 1764 E N 0.196 120.475 120.200 0.132 0.000 2.047 1764 E HA -0.159 4.087 4.350 -0.173 0.000 0.191 1764 E C 1.734 178.380 176.600 0.075 0.000 0.987 1764 E CA 1.588 58.036 56.400 0.080 0.000 0.799 1764 E CB -0.266 29.469 29.700 0.058 0.000 0.752 1764 E HN 0.692 nan 8.360 nan 0.000 0.449 1765 N N 0.124 118.883 118.700 0.099 0.000 2.036 1765 N HA -0.174 4.462 4.740 -0.173 0.000 0.195 1765 N C 2.054 177.656 175.510 0.153 0.000 1.037 1765 N CA 0.906 54.019 53.050 0.106 0.000 0.855 1765 N CB -0.266 38.291 38.487 0.117 0.000 1.033 1765 N HN 0.132 nan 8.380 nan 0.000 0.423 1766 G N 1.489 110.430 108.800 0.235 0.000 2.440 1766 G HA2 -0.201 3.655 3.960 -0.173 0.000 0.218 1766 G HA3 -0.201 3.655 3.960 -0.173 0.000 0.218 1766 G C 1.549 176.498 174.900 0.081 0.000 1.154 1766 G CA 0.468 45.773 45.100 0.341 0.000 0.767 1766 G HN 0.143 nan 8.290 nan 0.000 0.552 1767 L N -0.241 120.950 121.223 -0.053 0.000 2.056 1767 L HA -0.030 4.206 4.340 -0.173 0.000 0.207 1767 L C 2.999 179.747 176.870 -0.202 0.000 1.078 1767 L CA 1.264 55.903 54.840 -0.335 0.000 0.749 1767 L CB -0.273 41.655 42.059 -0.218 0.000 0.901 1767 L HN 0.179 nan 8.230 nan 0.000 0.433 1768 K N -0.503 119.860 120.400 -0.060 0.000 2.057 1768 K HA -0.133 4.084 4.320 -0.173 0.000 0.207 1768 K C 2.022 178.643 176.600 0.034 0.000 1.049 1768 K CA 1.159 57.436 56.287 -0.017 0.000 0.931 1768 K CB -0.206 32.295 32.500 0.001 0.000 0.714 1768 K HN 0.074 nan 8.250 nan 0.000 0.440 1769 V N 1.350 121.312 119.914 0.081 0.000 2.343 1769 V HA -0.255 3.762 4.120 -0.173 0.000 0.247 1769 V C 2.325 178.533 176.094 0.189 0.000 1.051 1769 V CA 2.035 64.448 62.300 0.188 0.000 1.036 1769 V CB -0.657 31.326 31.823 0.266 0.000 0.654 1769 V HN 0.367 nan 8.190 nan 0.000 0.451 1770 A N -0.420 122.389 122.820 -0.019 0.000 1.940 1770 A HA -0.250 3.966 4.320 -0.173 0.000 0.219 1770 A C 2.310 179.808 177.584 -0.143 0.000 1.176 1770 A CA 2.019 53.911 52.037 -0.242 0.000 0.631 1770 A CB -0.417 18.104 19.000 -0.798 0.000 0.814 1770 A HN 0.542 nan 8.150 nan 0.000 0.446 1771 K N -1.564 118.761 120.400 -0.125 0.000 2.057 1771 K HA -0.081 4.135 4.320 -0.173 0.000 0.206 1771 K C 1.810 178.418 176.600 0.012 0.000 1.050 1771 K CA 1.433 57.674 56.287 -0.076 0.000 0.935 1771 K CB -0.360 32.095 32.500 -0.075 0.000 0.715 1771 K HN 0.547 nan 8.250 nan 0.000 0.439 1772 F N 2.016 121.930 119.950 -0.060 0.000 2.065 1772 F HA -0.276 4.144 4.527 -0.179 0.000 0.298 1772 F C 1.823 177.612 175.800 -0.018 0.000 1.112 1772 F CA 1.472 59.456 58.000 -0.027 0.000 1.212 1772 F CB -0.181 38.806 39.000 -0.022 0.000 0.975 1772 F HN -0.088 nan 8.300 nan 0.000 0.476 1773 L N 0.071 121.155 121.223 -0.232 0.000 2.131 1773 L HA -0.208 4.029 4.340 -0.173 0.000 0.210 1773 L C 2.471 179.203 176.870 -0.230 0.000 1.092 1773 L CA 1.695 56.308 54.840 -0.379 0.000 0.759 1773 L CB -0.762 41.102 42.059 -0.324 0.000 0.903 1773 L HN 0.308 nan 8.230 nan 0.000 0.435 1774 E N 0.376 120.495 120.200 -0.136 0.000 2.208 1774 E HA -0.228 4.019 4.350 -0.173 0.000 0.193 1774 E C 1.780 178.332 176.600 -0.081 0.000 0.988 1774 E CA 0.947 57.300 56.400 -0.078 0.000 0.828 1774 E CB 0.257 29.917 29.700 -0.066 0.000 0.763 1774 E HN 0.568 nan 8.360 nan 0.000 0.478 1775 Q N -0.688 119.044 119.800 -0.113 0.000 2.360 1775 Q HA 0.053 4.289 4.340 -0.173 0.000 0.202 1775 Q C 0.255 176.165 176.000 -0.150 0.000 0.915 1775 Q CA 0.252 55.992 55.803 -0.106 0.000 0.943 1775 Q CB -0.054 28.637 28.738 -0.078 0.000 1.064 1775 Q HN 0.110 nan 8.270 nan 0.000 0.511 1776 H N 2.168 121.053 119.070 -0.308 0.000 2.646 1776 H HA 0.024 4.476 4.556 -0.173 0.000 0.325 1776 H C 0.824 176.047 175.328 -0.175 0.000 1.075 1776 H CA 0.455 56.310 56.048 -0.321 0.000 1.421 1776 H CB 1.175 30.618 29.762 -0.530 0.000 1.461 1776 H HN 0.567 nan 8.280 nan 0.000 0.525 1777 E N 4.308 124.327 120.200 -0.302 0.000 2.204 1777 E HA -0.174 4.073 4.350 -0.173 0.000 0.195 1777 E C 0.725 177.355 176.600 0.049 0.000 0.990 1777 E CA 0.903 57.233 56.400 -0.118 0.000 0.821 1777 E CB 0.072 29.666 29.700 -0.177 0.000 0.750 1777 E HN 0.473 nan 8.360 nan 0.000 0.477 1778 K N 0.127 120.692 120.400 0.276 0.000 2.418 1778 K HA 0.088 4.304 4.320 -0.173 0.000 0.195 1778 K C 0.250 176.929 176.600 0.132 0.000 1.035 1778 K CA 0.112 56.524 56.287 0.208 0.000 1.003 1778 K CB 0.345 32.977 32.500 0.222 0.000 0.793 1778 K HN 0.181 nan 8.250 nan 0.000 0.494 1779 I N 1.385 122.025 120.570 0.117 0.000 2.339 1779 I HA 0.026 4.093 4.170 -0.173 0.000 0.290 1779 I C 1.465 177.636 176.117 0.090 0.000 0.994 1779 I CA -0.165 61.191 61.300 0.093 0.000 1.191 1779 I CB 1.547 39.551 38.000 0.006 0.000 1.343 1779 I HN -0.266 nan 8.210 nan 0.000 0.458 1780 V N 5.330 125.313 119.914 0.116 0.000 2.453 1780 V HA -0.005 4.011 4.120 -0.173 0.000 0.247 1780 V C 0.912 177.062 176.094 0.093 0.000 1.048 1780 V CA 1.332 63.687 62.300 0.092 0.000 1.049 1780 V CB -0.319 31.560 31.823 0.093 0.000 0.672 1780 V HN 0.804 nan 8.190 nan 0.000 0.457 1781 K N -0.499 119.980 120.400 0.132 0.000 2.610 1781 K HA 0.376 4.593 4.320 -0.173 0.000 0.267 1781 K C -2.270 174.459 176.600 0.214 0.000 0.943 1781 K CA -0.395 55.977 56.287 0.141 0.000 0.862 1781 K CB 2.445 35.023 32.500 0.131 0.000 1.376 1781 K HN -0.082 nan 8.250 nan 0.000 0.412 1782 V N 3.328 123.360 119.914 0.197 0.000 2.409 1782 V HA 0.348 4.365 4.120 -0.173 0.000 0.291 1782 V C -0.088 176.148 176.094 0.237 0.000 1.020 1782 V CA -0.830 61.623 62.300 0.255 0.000 0.848 1782 V CB 1.530 33.439 31.823 0.143 0.000 0.990 1782 V HN 0.710 nan 8.190 nan 0.000 0.430 1783 N N 3.677 122.548 118.700 0.284 0.000 3.083 1783 N HA 0.188 4.825 4.740 -0.173 0.000 0.260 1783 N C -0.848 174.553 175.510 -0.181 0.000 1.163 1783 N CA -0.236 52.913 53.050 0.165 0.000 1.060 1783 N CB 0.136 38.790 38.487 0.279 0.000 1.345 1783 N HN 0.664 nan 8.380 nan 0.000 0.515 1784 H N 2.523 121.285 119.070 -0.514 0.000 2.539 1784 H HA 0.229 4.646 4.556 -0.232 0.000 0.332 1784 H C -1.945 172.868 175.328 -0.857 0.000 1.031 1784 H CA -2.046 53.596 56.048 -0.678 0.000 1.206 1784 H CB 2.103 31.384 29.762 -0.801 0.000 1.446 1784 H HN 0.242 nan 8.280 nan 0.000 0.496 1785 P HA -0.072 nan 4.420 nan 0.000 0.222 1785 P C 1.145 178.329 177.300 -0.193 0.000 1.147 1785 P CA 1.210 64.044 63.100 -0.443 0.000 0.790 1785 P CB 0.082 31.643 31.700 -0.230 0.000 0.780 1786 G N -0.618 107.903 108.800 -0.464 0.000 2.880 1786 G HA2 0.101 3.957 3.960 -0.173 0.000 0.209 1786 G HA3 0.101 3.957 3.960 -0.173 0.000 0.209 1786 G C 0.625 175.290 174.900 -0.393 0.000 1.157 1786 G CA -0.159 44.481 45.100 -0.765 0.000 0.779 1786 G HN 0.208 nan 8.290 nan 0.000 0.539 1787 L N 0.814 121.826 121.223 -0.351 0.000 2.349 1787 L HA 0.232 4.468 4.340 -0.173 0.000 0.275 1787 L C 1.341 177.890 176.870 -0.535 0.000 1.115 1787 L CA -0.678 53.933 54.840 -0.381 0.000 0.820 1787 L CB 1.255 43.175 42.059 -0.232 0.000 1.135 1787 L HN 0.104 nan 8.230 nan 0.000 0.445 1788 E N 1.084 120.967 120.200 -0.528 0.000 2.153 1788 E HA -0.179 4.068 4.350 -0.173 0.000 0.194 1788 E C 1.991 178.496 176.600 -0.159 0.000 0.988 1788 E CA 1.590 57.728 56.400 -0.437 0.000 0.811 1788 E CB 0.055 29.629 29.700 -0.210 0.000 0.746 1788 E HN 0.831 nan 8.360 nan 0.000 0.466 1789 S N 0.641 116.286 115.700 -0.092 0.000 2.447 1789 S HA -0.124 4.243 4.470 -0.173 0.000 0.233 1789 S C 0.785 175.426 174.600 0.067 0.000 1.006 1789 S CA -0.043 58.153 58.200 -0.007 0.000 0.957 1789 S CB -0.470 62.731 63.200 0.002 0.000 0.773 1789 S HN 0.153 nan 8.310 nan 0.000 0.507 1790 F N 4.668 124.580 119.950 -0.062 0.000 2.504 1790 F HA 0.440 4.872 4.527 -0.158 0.000 0.369 1790 F C -2.650 173.181 175.800 0.051 0.000 1.082 1790 F CA -2.830 55.172 58.000 0.004 0.000 1.216 1790 F CB 0.268 39.276 39.000 0.012 0.000 1.108 1790 F HN -0.008 nan 8.300 nan 0.000 0.554 1791 P HA 0.244 nan 4.420 nan 0.000 0.267 1791 P C 0.313 177.335 177.300 -0.463 0.000 1.205 1791 P CA 0.827 63.675 63.100 -0.420 0.000 0.765 1791 P CB 0.745 32.204 31.700 -0.403 0.000 0.828 1792 G N 2.069 110.801 108.800 -0.114 0.000 2.175 1792 G HA2 -0.322 3.534 3.960 -0.173 0.000 0.244 1792 G HA3 -0.322 3.534 3.960 -0.173 0.000 0.244 1792 G C 1.173 176.198 174.900 0.208 0.000 0.982 1792 G CA 0.362 45.477 45.100 0.025 0.000 0.641 1792 G HN 0.726 nan 8.290 nan 0.000 0.527 1793 H N 0.640 119.817 119.070 0.179 0.000 2.387 1793 H HA -0.091 4.350 4.556 -0.192 0.000 0.299 1793 H C 1.969 177.387 175.328 0.150 0.000 1.099 1793 H CA 1.822 57.996 56.048 0.211 0.000 1.315 1793 H CB 0.142 30.004 29.762 0.166 0.000 1.380 1793 H HN 0.433 nan 8.280 nan 0.000 0.513 1794 D N 0.437 120.836 120.400 -0.001 0.000 2.144 1794 D HA -0.084 4.453 4.640 -0.173 0.000 0.200 1794 D C 2.469 178.737 176.300 -0.053 0.000 0.978 1794 D CA 0.728 54.682 54.000 -0.076 0.000 0.833 1794 D CB 0.003 40.808 40.800 0.007 0.000 0.961 1794 D HN 0.488 nan 8.370 nan 0.000 0.470 1795 I N 1.134 121.706 120.570 0.003 0.000 2.193 1795 I HA -0.211 3.855 4.170 -0.173 0.000 0.240 1795 I C 2.551 178.685 176.117 0.028 0.000 1.084 1795 I CA 0.886 62.197 61.300 0.018 0.000 1.365 1795 I CB -0.235 37.788 38.000 0.039 0.000 1.064 1795 I HN -0.102 nan 8.210 nan 0.000 0.410 1796 A N 0.727 123.592 122.820 0.075 0.000 1.917 1796 A HA -0.294 3.922 4.320 -0.173 0.000 0.219 1796 A C 2.376 180.011 177.584 0.086 0.000 1.182 1796 A CA 2.099 54.217 52.037 0.136 0.000 0.633 1796 A CB -0.606 18.556 19.000 0.271 0.000 0.819 1796 A HN 0.371 nan 8.150 nan 0.000 0.448 1797 K N -0.892 119.496 120.400 -0.020 0.000 2.097 1797 K HA -0.157 4.060 4.320 -0.173 0.000 0.205 1797 K C 1.798 178.357 176.600 -0.069 0.000 1.050 1797 K CA 1.643 57.884 56.287 -0.077 0.000 0.938 1797 K CB -0.055 32.299 32.500 -0.244 0.000 0.718 1797 K HN 0.252 nan 8.250 nan 0.000 0.442 1798 K N 0.311 120.681 120.400 -0.050 0.000 2.262 1798 K HA 0.036 4.253 4.320 -0.173 0.000 0.200 1798 K C 1.515 178.102 176.600 -0.023 0.000 1.049 1798 K CA 0.970 57.236 56.287 -0.034 0.000 0.979 1798 K CB 0.425 32.909 32.500 -0.026 0.000 0.773 1798 K HN 0.201 nan 8.250 nan 0.000 0.474 1799 Q N -0.839 118.954 119.800 -0.011 0.000 2.282 1799 Q HA 0.274 4.510 4.340 -0.173 0.000 0.206 1799 Q C -0.193 175.807 176.000 -0.000 0.000 0.878 1799 Q CA 0.191 55.994 55.803 -0.000 0.000 0.944 1799 Q CB 0.687 29.434 28.738 0.014 0.000 1.100 1799 Q HN 0.180 nan 8.270 nan 0.000 0.509 1800 M N -0.383 119.201 119.600 -0.026 0.000 2.572 1800 M HA 0.268 4.644 4.480 -0.173 0.000 0.299 1800 M C 0.255 176.478 176.300 -0.128 0.000 1.205 1800 M CA -0.422 54.849 55.300 -0.048 0.000 0.876 1800 M CB 2.028 34.596 32.600 -0.052 0.000 1.728 1800 M HN -0.112 nan 8.290 nan 0.000 0.458 1801 T N -2.381 112.118 114.554 -0.091 0.000 3.105 1801 T HA 0.545 4.792 4.350 -0.173 0.000 0.253 1801 T C 0.480 174.947 174.700 -0.389 0.000 1.047 1801 T CA 0.191 62.219 62.100 -0.121 0.000 0.944 1801 T CB 0.024 68.919 68.868 0.045 0.000 1.016 1801 T HN 0.946 nan 8.240 nan 0.000 0.544 1802 G N -0.185 108.151 108.800 -0.773 0.000 2.427 1802 G HA2 0.524 4.381 3.960 -0.173 0.000 0.306 1802 G HA3 0.524 4.381 3.960 -0.173 0.000 0.306 1802 G C -2.342 171.733 174.900 -1.376 0.000 1.280 1802 G CA -1.102 43.046 45.100 -1.587 0.000 0.837 1802 G HN 0.238 nan 8.290 nan 0.000 0.482 1803 Y N -0.622 119.277 120.300 -0.668 0.000 2.492 1803 Y HA 0.611 4.966 4.550 -0.325 0.000 0.346 1803 Y C 0.935 176.810 175.900 -0.041 0.000 0.997 1803 Y CA -0.344 57.648 58.100 -0.180 0.000 1.025 1803 Y CB 2.184 40.619 38.460 -0.041 0.000 1.263 1803 Y HN 0.877 nan 8.280 nan 0.000 0.454 1804 G N 0.194 109.082 108.800 0.148 0.000 2.631 1804 G HA2 0.343 4.200 3.960 -0.173 0.000 0.271 1804 G HA3 0.343 4.200 3.960 -0.173 0.000 0.271 1804 G C 0.337 175.298 174.900 0.101 0.000 1.302 1804 G CA -0.100 44.979 45.100 -0.035 0.000 1.002 1804 G HN 0.746 nan 8.290 nan 0.000 0.519 1805 S N -1.923 113.876 115.700 0.164 0.000 2.754 1805 S HA 0.287 4.654 4.470 -0.173 0.000 0.247 1805 S C 0.215 174.996 174.600 0.303 0.000 1.031 1805 S CA -0.351 58.046 58.200 0.327 0.000 1.014 1805 S CB 0.383 63.812 63.200 0.381 0.000 0.918 1805 S HN 0.423 nan 8.310 nan 0.000 0.519 1806 T N 3.440 118.065 114.554 0.118 0.000 2.771 1806 T HA 0.723 4.970 4.350 -0.173 0.000 0.281 1806 T C -0.728 174.038 174.700 0.109 0.000 0.982 1806 T CA -0.469 61.568 62.100 -0.105 0.000 0.978 1806 T CB 0.488 69.001 68.868 -0.590 0.000 0.930 1806 T HN 0.524 nan 8.240 nan 0.000 0.447 1807 F N 1.319 121.289 119.950 0.034 0.000 2.773 1807 F HA 0.805 5.233 4.527 -0.165 0.000 0.314 1807 F C -2.346 173.538 175.800 0.141 0.000 1.160 1807 F CA -1.735 56.312 58.000 0.079 0.000 0.920 1807 F CB 0.827 39.828 39.000 0.001 0.000 1.323 1807 F HN 0.398 nan 8.300 nan 0.000 0.457 1808 L N 2.535 123.943 121.223 0.310 0.000 2.334 1808 L HA 0.844 5.081 4.340 -0.173 0.000 0.276 1808 L C -1.124 175.947 176.870 0.335 0.000 1.014 1808 L CA -1.029 53.893 54.840 0.137 0.000 0.815 1808 L CB 1.681 43.797 42.059 0.093 0.000 1.268 1808 L HN 0.709 nan 8.230 nan 0.000 0.428 1809 F N 0.478 120.514 119.950 0.143 0.000 2.629 1809 F HA 0.684 5.105 4.527 -0.177 0.000 0.316 1809 F C -0.697 175.165 175.800 0.104 0.000 1.081 1809 F CA -0.941 57.151 58.000 0.153 0.000 0.954 1809 F CB 1.314 40.420 39.000 0.177 0.000 1.337 1809 F HN 0.532 nan 8.300 nan 0.000 0.474 1810 E N 2.744 123.116 120.200 0.286 0.000 2.151 1810 E HA 0.370 4.617 4.350 -0.173 0.000 0.275 1810 E C -0.808 175.918 176.600 0.209 0.000 0.936 1810 E CA -0.942 55.555 56.400 0.163 0.000 0.777 1810 E CB 1.023 30.802 29.700 0.133 0.000 1.108 1810 E HN 0.550 nan 8.360 nan 0.000 0.401 1811 M N 2.759 122.453 119.600 0.156 0.000 2.245 1811 M HA 0.224 4.600 4.480 -0.173 0.000 0.292 1811 M C 0.888 177.254 176.300 0.111 0.000 1.176 1811 M CA 0.143 55.533 55.300 0.150 0.000 1.035 1811 M CB 0.375 33.046 32.600 0.119 0.000 1.440 1811 M HN 0.460 nan 8.290 nan 0.000 0.494 1812 K N 0.002 120.457 120.400 0.091 0.000 2.418 1812 K HA 0.046 4.262 4.320 -0.173 0.000 0.195 1812 K C 0.237 176.882 176.600 0.074 0.000 1.035 1812 K CA 0.266 56.597 56.287 0.074 0.000 1.003 1812 K CB 0.297 32.833 32.500 0.061 0.000 0.793 1812 K HN 0.787 nan 8.250 nan 0.000 0.494 1813 S N -1.996 113.752 115.700 0.079 0.000 2.636 1813 S HA 0.159 4.525 4.470 -0.173 0.000 0.268 1813 S C 0.221 174.898 174.600 0.129 0.000 1.159 1813 S CA -0.993 57.268 58.200 0.101 0.000 0.815 1813 S CB 0.154 63.402 63.200 0.079 0.000 1.130 1813 S HN 0.082 nan 8.310 nan 0.000 0.471 1814 F N 1.631 121.603 119.950 0.036 0.000 2.134 1814 F HA 0.003 4.426 4.527 -0.173 0.000 0.299 1814 F C 2.305 178.100 175.800 -0.009 0.000 1.097 1814 F CA 2.006 60.017 58.000 0.018 0.000 1.264 1814 F CB -0.110 38.898 39.000 0.014 0.000 1.001 1814 F HN 0.652 nan 8.300 nan 0.000 0.479 1815 E N 0.902 120.989 120.200 -0.188 0.000 2.118 1815 E HA -0.215 4.032 4.350 -0.173 0.000 0.195 1815 E C 2.376 178.840 176.600 -0.227 0.000 0.992 1815 E CA 1.198 57.439 56.400 -0.265 0.000 0.804 1815 E CB -0.903 28.757 29.700 -0.066 0.000 0.741 1815 E HN 0.546 nan 8.360 nan 0.000 0.458 1816 A N 1.282 124.031 122.820 -0.118 0.000 1.898 1816 A HA -0.040 4.176 4.320 -0.173 0.000 0.216 1816 A C 2.412 179.950 177.584 -0.076 0.000 1.181 1816 A CA 1.979 53.979 52.037 -0.062 0.000 0.620 1816 A CB -0.544 18.457 19.000 0.001 0.000 0.819 1816 A HN 0.266 nan 8.150 nan 0.000 0.442 1817 A N -0.123 122.628 122.820 -0.116 0.000 1.902 1817 A HA -0.161 4.056 4.320 -0.173 0.000 0.217 1817 A C 2.151 179.615 177.584 -0.200 0.000 1.181 1817 A CA 1.950 53.926 52.037 -0.101 0.000 0.623 1817 A CB -0.456 18.517 19.000 -0.045 0.000 0.818 1817 A HN 0.546 nan 8.150 nan 0.000 0.443 1818 K N -0.165 119.972 120.400 -0.438 0.000 2.057 1818 K HA -0.177 4.039 4.320 -0.173 0.000 0.207 1818 K C 2.153 178.658 176.600 -0.159 0.000 1.049 1818 K CA 1.748 57.784 56.287 -0.418 0.000 0.931 1818 K CB -0.213 31.873 32.500 -0.690 0.000 0.714 1818 K HN 0.409 nan 8.250 nan 0.000 0.440 1819 K N 0.554 120.895 120.400 -0.099 0.000 2.057 1819 K HA -0.168 4.049 4.320 -0.173 0.000 0.207 1819 K C 2.252 178.944 176.600 0.154 0.000 1.049 1819 K CA 1.290 57.618 56.287 0.068 0.000 0.931 1819 K CB -0.156 32.337 32.500 -0.011 0.000 0.714 1819 K HN 0.127 nan 8.250 nan 0.000 0.440 1820 L N 0.974 122.232 121.223 0.058 0.000 1.994 1820 L HA -0.136 4.101 4.340 -0.173 0.000 0.208 1820 L C 2.041 178.966 176.870 0.091 0.000 1.071 1820 L CA 1.743 56.635 54.840 0.087 0.000 0.745 1820 L CB -0.317 41.801 42.059 0.098 0.000 0.892 1820 L HN 0.192 nan 8.230 nan 0.000 0.431 1821 M N -1.018 118.607 119.600 0.040 0.000 2.460 1821 M HA -0.133 4.243 4.480 -0.173 0.000 0.263 1821 M C 1.394 177.685 176.300 -0.016 0.000 1.071 1821 M CA 1.341 56.651 55.300 0.018 0.000 1.096 1821 M CB -0.171 32.421 32.600 -0.013 0.000 1.408 1821 M HN 0.349 nan 8.290 nan 0.000 0.463 1822 E N -1.499 118.678 120.200 -0.039 0.000 2.481 1822 E HA 0.010 4.256 4.350 -0.173 0.000 0.198 1822 E C 0.063 176.419 176.600 -0.405 0.000 1.027 1822 E CA 0.202 56.490 56.400 -0.187 0.000 0.900 1822 E CB 0.374 29.937 29.700 -0.229 0.000 0.993 1822 E HN 0.570 nan 8.360 nan 0.000 0.482 1823 H N -0.545 118.518 119.070 -0.011 0.000 2.567 1823 H HA 0.256 4.708 4.556 -0.173 0.000 0.267 1823 H C -0.539 174.791 175.328 0.004 0.000 1.148 1823 H CA -0.191 55.855 56.048 -0.004 0.000 1.031 1823 H CB 0.393 30.152 29.762 -0.005 0.000 1.691 1823 H HN -0.090 nan 8.280 nan 0.000 0.588 1824 L N 0.809 122.069 121.223 0.061 0.000 2.312 1824 L HA 0.302 4.539 4.340 -0.173 0.000 0.281 1824 L C 0.886 177.770 176.870 0.024 0.000 1.070 1824 L CA -0.119 54.749 54.840 0.047 0.000 0.805 1824 L CB 1.666 43.750 42.059 0.041 0.000 1.174 1824 L HN 0.198 nan 8.230 nan 0.000 0.434 1825 K N 1.601 122.016 120.400 0.024 0.000 2.367 1825 K HA 0.130 4.346 4.320 -0.173 0.000 0.195 1825 K C 1.041 177.646 176.600 0.008 0.000 1.060 1825 K CA 0.162 56.457 56.287 0.014 0.000 1.022 1825 K CB 0.793 33.303 32.500 0.017 0.000 0.894 1825 K HN 0.440 nan 8.250 nan 0.000 0.540 1826 V N 0.739 120.658 119.914 0.009 0.000 2.721 1826 V HA 0.002 4.018 4.120 -0.173 0.000 0.236 1826 V C 1.013 177.112 176.094 0.008 0.000 1.116 1826 V CA 0.048 62.352 62.300 0.005 0.000 1.148 1826 V CB 0.245 32.069 31.823 0.002 0.000 0.886 1826 V HN 0.207 nan 8.190 nan 0.000 0.490 1827 C N 2.223 121.531 119.300 0.014 0.000 2.634 1827 C HA 0.340 4.697 4.460 -0.173 0.000 0.417 1827 C C 0.903 175.900 174.990 0.011 0.000 1.334 1827 C CA 0.113 59.141 59.018 0.017 0.000 1.829 1827 C CB -0.902 26.857 27.740 0.030 0.000 2.665 1827 C HN 0.500 nan 8.230 nan 0.000 0.614 1828 T N 3.868 118.425 114.554 0.006 0.000 2.797 1828 T HA 0.379 4.626 4.350 -0.173 0.000 0.279 1828 T C -0.301 174.401 174.700 0.003 0.000 0.991 1828 T CA -0.398 61.703 62.100 0.002 0.000 0.979 1828 T CB 1.120 69.987 68.868 -0.002 0.000 0.943 1828 T HN 0.483 nan 8.240 nan 0.000 0.444 1829 L N 4.059 125.283 121.223 0.002 0.000 2.407 1829 L HA 0.630 4.866 4.340 -0.173 0.000 0.282 1829 L C -0.117 176.758 176.870 0.009 0.000 1.110 1829 L CA 0.404 55.248 54.840 0.006 0.000 0.863 1829 L CB -1.166 40.893 42.059 0.000 0.000 1.207 1829 L HN 0.881 nan 8.230 nan 0.000 0.454 1830 A N 3.910 126.737 122.820 0.012 0.000 2.597 1830 A HA 0.618 4.834 4.320 -0.173 0.000 0.292 1830 A C -0.679 176.915 177.584 0.017 0.000 1.057 1830 A CA -0.218 51.827 52.037 0.013 0.000 0.674 1830 A CB 0.623 19.625 19.000 0.003 0.000 1.278 1830 A HN 0.923 nan 8.150 nan 0.000 0.416 1831 V N -0.433 119.496 119.914 0.026 0.000 3.596 1831 V HA 0.877 4.894 4.120 -0.173 0.000 0.288 1831 V C 0.721 176.818 176.094 0.005 0.000 1.021 1831 V CA 0.491 62.812 62.300 0.035 0.000 1.020 1831 V CB 0.686 32.547 31.823 0.063 0.000 1.243 1831 V HN 2.854 nan 8.190 nan 0.000 0.433 1832 S N -0.542 115.157 115.700 -0.001 0.000 4.024 1832 S HA 0.004 4.371 4.470 -0.173 0.000 0.651 1832 S C -0.971 173.566 174.600 -0.105 0.000 1.390 1832 S CA 0.562 58.729 58.200 -0.056 0.000 1.539 1832 S CB -1.105 62.059 63.200 -0.060 0.000 0.334 1832 S HN 2.541 nan 8.310 nan 0.000 1.574 1833 L N -1.522 119.586 121.223 -0.192 0.000 2.940 1833 L HA 0.822 5.058 4.340 -0.173 0.000 0.270 1833 L C 0.906 177.464 176.870 -0.521 0.000 1.030 1833 L CA -0.029 54.619 54.840 -0.321 0.000 0.928 1833 L CB 0.880 42.711 42.059 -0.381 0.000 1.506 1833 L HN 2.198 nan 8.230 nan 0.000 0.405 1834 G N -0.752 107.565 108.800 -0.805 0.000 2.148 1834 G HA2 -0.253 3.603 3.960 -0.173 0.000 0.254 1834 G HA3 -0.253 3.603 3.960 -0.173 0.000 0.254 1834 G C 0.276 174.832 174.900 -0.573 0.000 0.981 1834 G CA 0.217 44.464 45.100 -1.422 0.000 0.670 1834 G HN 0.983 nan 8.290 nan 0.000 0.528 1835 C N 0.081 119.215 119.300 -0.277 0.000 2.500 1835 C HA 0.548 4.905 4.460 -0.173 0.000 0.367 1835 C C 2.651 177.656 174.990 0.025 0.000 1.283 1835 C CA 0.131 59.084 59.018 -0.108 0.000 2.456 1835 C CB 0.702 28.390 27.740 -0.087 0.000 2.457 1835 C HN 1.153 nan 8.230 nan 0.000 0.632 1836 V N 1.239 121.125 119.914 -0.046 0.000 2.720 1836 V HA 0.019 4.036 4.120 -0.173 0.000 0.256 1836 V C 0.711 176.797 176.094 -0.012 0.000 1.082 1836 V CA 1.782 64.050 62.300 -0.053 0.000 1.101 1836 V CB -1.069 30.640 31.823 -0.190 0.000 0.693 1836 V HN 0.922 nan 8.190 nan 0.000 0.479 1837 D N -0.379 120.018 120.400 -0.006 0.000 2.269 1837 D HA 0.238 4.774 4.640 -0.173 0.000 0.244 1837 D C -0.448 175.861 176.300 0.016 0.000 0.992 1837 D CA -0.459 53.543 54.000 0.003 0.000 0.894 1837 D CB 1.640 42.436 40.800 -0.006 0.000 1.248 1837 D HN 0.131 nan 8.370 nan 0.000 0.468 1838 T N 1.422 115.989 114.554 0.021 0.000 2.870 1838 T HA 0.297 4.543 4.350 -0.173 0.000 0.300 1838 T C -0.063 174.639 174.700 0.003 0.000 0.989 1838 T CA -0.343 61.770 62.100 0.023 0.000 1.139 1838 T CB 0.245 69.133 68.868 0.033 0.000 0.920 1838 T HN 0.178 nan 8.240 nan 0.000 0.537 1839 L N 3.452 124.667 121.223 -0.014 0.000 2.342 1839 L HA 0.706 4.943 4.340 -0.173 0.000 0.271 1839 L C -0.315 176.542 176.870 -0.021 0.000 1.008 1839 L CA -0.853 53.974 54.840 -0.022 0.000 0.818 1839 L CB 1.764 43.795 42.059 -0.046 0.000 1.296 1839 L HN 0.647 nan 8.230 nan 0.000 0.427 1840 I N 1.534 122.100 120.570 -0.006 0.000 2.722 1840 I HA 0.537 4.603 4.170 -0.173 0.000 0.295 1840 I C -1.316 174.807 176.117 0.010 0.000 1.161 1840 I CA -0.171 61.130 61.300 0.000 0.000 1.032 1840 I CB 2.219 40.239 38.000 0.033 0.000 1.244 1840 I HN 0.853 nan 8.210 nan 0.000 0.421 1841 E N 5.096 125.301 120.200 0.007 0.000 2.449 1841 E HA 0.383 4.629 4.350 -0.173 0.000 0.278 1841 E C -1.588 175.060 176.600 0.079 0.000 0.992 1841 E CA -0.789 55.641 56.400 0.050 0.000 0.807 1841 E CB 1.269 31.003 29.700 0.058 0.000 1.350 1841 E HN 0.525 nan 8.360 nan 0.000 0.462 1842 H N 1.341 120.420 119.070 0.015 0.000 2.697 1842 H HA 0.268 4.721 4.556 -0.173 0.000 0.270 1842 H C -2.033 173.325 175.328 0.051 0.000 1.188 1842 H CA -2.314 53.750 56.048 0.027 0.000 1.322 1842 H CB 1.360 31.170 29.762 0.080 0.000 1.405 1842 H HN 0.326 nan 8.280 nan 0.000 0.502 1843 P HA -0.175 nan 4.420 nan 0.000 0.216 1843 P C 1.327 178.551 177.300 -0.126 0.000 1.150 1843 P CA 1.875 64.928 63.100 -0.078 0.000 0.843 1843 P CB 0.221 31.831 31.700 -0.150 0.000 0.787 1844 A N -0.364 122.219 122.820 -0.395 0.000 1.972 1844 A HA -0.136 4.081 4.320 -0.173 0.000 0.219 1844 A C 2.112 179.645 177.584 -0.086 0.000 1.169 1844 A CA 2.179 54.068 52.037 -0.246 0.000 0.635 1844 A CB -1.166 17.661 19.000 -0.289 0.000 0.810 1844 A HN 0.361 nan 8.150 nan 0.000 0.446 1845 S N -2.822 112.881 115.700 0.005 0.000 2.559 1845 S HA 0.468 4.835 4.470 -0.173 0.000 0.226 1845 S C 1.012 175.674 174.600 0.103 0.000 1.000 1845 S CA 0.155 58.430 58.200 0.124 0.000 0.948 1845 S CB -0.002 63.348 63.200 0.250 0.000 0.870 1845 S HN 0.428 nan 8.310 nan 0.000 0.497 1846 M N 1.122 120.773 119.600 0.085 0.000 3.105 1846 M HA 0.187 4.563 4.480 -0.173 0.000 0.157 1846 M C 2.226 178.558 176.300 0.054 0.000 1.882 1846 M CA 0.816 56.163 55.300 0.078 0.000 1.650 1846 M CB -0.665 31.999 32.600 0.106 0.000 0.973 1846 M HN 0.239 nan 8.290 nan 0.000 0.629 1847 T N -1.499 113.114 114.554 0.099 0.000 2.849 1847 T HA -0.173 4.074 4.350 -0.173 0.000 0.270 1847 T C 0.918 175.487 174.700 -0.219 0.000 1.066 1847 T CA 1.781 63.915 62.100 0.058 0.000 1.130 1847 T CB -0.567 68.445 68.868 0.239 0.000 0.864 1847 T HN 0.435 nan 8.240 nan 0.000 0.481 1848 H N -0.247 118.791 119.070 -0.055 0.000 2.512 1848 H HA 0.735 5.187 4.556 -0.173 0.000 0.276 1848 H C 1.850 177.126 175.328 -0.087 0.000 1.126 1848 H CA -0.041 55.953 56.048 -0.091 0.000 1.060 1848 H CB 0.106 29.822 29.762 -0.078 0.000 1.646 1848 H HN 0.443 nan 8.280 nan 0.000 0.571 1849 A N 0.651 123.459 122.820 -0.020 0.000 2.015 1849 A HA 0.046 4.263 4.320 -0.173 0.000 0.219 1849 A C 2.185 179.739 177.584 -0.049 0.000 1.163 1849 A CA 1.420 53.443 52.037 -0.023 0.000 0.646 1849 A CB -0.349 18.643 19.000 -0.013 0.000 0.806 1849 A HN 0.425 nan 8.150 nan 0.000 0.448 1850 A N -0.694 122.076 122.820 -0.085 0.000 2.275 1850 A HA 0.442 4.659 4.320 -0.173 0.000 0.212 1850 A C 0.688 178.213 177.584 -0.099 0.000 1.201 1850 A CA -0.028 51.951 52.037 -0.098 0.000 0.843 1850 A CB -0.302 18.625 19.000 -0.120 0.000 0.873 1850 A HN 0.204 nan 8.150 nan 0.000 0.492 1851 V N 2.597 122.459 119.914 -0.086 0.000 2.493 1851 V HA 0.091 4.107 4.120 -0.173 0.000 0.292 1851 V C -2.107 173.961 176.094 -0.043 0.000 1.016 1851 V CA -1.038 61.225 62.300 -0.061 0.000 1.097 1851 V CB 0.239 32.057 31.823 -0.008 0.000 0.947 1851 V HN 0.288 nan 8.190 nan 0.000 0.479 1852 P HA 0.004 nan 4.420 nan 0.000 0.263 1852 P C 0.938 178.223 177.300 -0.025 0.000 1.175 1852 P CA 0.070 63.148 63.100 -0.036 0.000 0.761 1852 P CB 0.434 32.114 31.700 -0.034 0.000 0.794 1853 E N 3.189 123.374 120.200 -0.025 0.000 2.113 1853 E HA -0.395 3.852 4.350 -0.173 0.000 0.210 1853 E C 1.339 177.930 176.600 -0.015 0.000 1.040 1853 E CA 1.993 58.380 56.400 -0.021 0.000 0.847 1853 E CB -0.882 28.805 29.700 -0.022 0.000 0.755 1853 E HN 0.480 nan 8.360 nan 0.000 0.459 1854 N N 1.671 120.363 118.700 -0.013 0.000 2.188 1854 N HA -0.155 4.482 4.740 -0.173 0.000 0.184 1854 N C 1.906 177.415 175.510 -0.003 0.000 1.018 1854 N CA 1.696 54.742 53.050 -0.007 0.000 0.858 1854 N CB -0.629 37.853 38.487 -0.007 0.000 0.989 1854 N HN 0.378 nan 8.380 nan 0.000 0.426 1855 I N 0.216 120.784 120.570 -0.002 0.000 2.315 1855 I HA -0.160 3.907 4.170 -0.173 0.000 0.248 1855 I C 2.602 178.722 176.117 0.006 0.000 1.117 1855 I CA 0.945 62.249 61.300 0.006 0.000 1.404 1855 I CB -0.241 37.763 38.000 0.006 0.000 1.071 1855 I HN 0.121 nan 8.210 nan 0.000 0.419 1856 M N 0.891 120.490 119.600 -0.001 0.000 2.080 1856 M HA -0.230 4.147 4.480 -0.173 0.000 0.260 1856 M C 2.459 178.753 176.300 -0.011 0.000 1.068 1856 M CA 1.929 57.225 55.300 -0.006 0.000 1.109 1856 M CB -0.163 32.429 32.600 -0.013 0.000 1.342 1856 M HN -0.015 nan 8.290 nan 0.000 0.405 1857 R N -0.055 120.440 120.500 -0.008 0.000 2.073 1857 R HA -0.114 4.122 4.340 -0.173 0.000 0.234 1857 R C 2.243 178.542 176.300 -0.002 0.000 1.134 1857 R CA 1.395 57.492 56.100 -0.006 0.000 0.952 1857 R CB -0.348 29.949 30.300 -0.005 0.000 0.850 1857 R HN 0.292 nan 8.270 nan 0.000 0.433 1858 K N 0.922 121.323 120.400 0.003 0.000 2.152 1858 K HA -0.194 4.022 4.320 -0.173 0.000 0.206 1858 K C 1.980 178.585 176.600 0.008 0.000 1.048 1858 K CA 1.493 57.785 56.287 0.008 0.000 0.933 1858 K CB -0.116 32.393 32.500 0.014 0.000 0.721 1858 K HN 0.395 nan 8.250 nan 0.000 0.447 1859 Q N -0.928 118.874 119.800 0.003 0.000 2.297 1859 Q HA -0.001 4.236 4.340 -0.173 0.000 0.204 1859 Q C 0.774 176.765 176.000 -0.014 0.000 0.962 1859 Q CA 0.707 56.507 55.803 -0.006 0.000 0.879 1859 Q CB 0.204 28.931 28.738 -0.018 0.000 0.947 1859 Q HN 0.503 nan 8.270 nan 0.000 0.462 1860 G N 1.472 110.265 108.800 -0.012 0.000 2.198 1860 G HA2 -0.260 3.596 3.960 -0.173 0.000 0.257 1860 G HA3 -0.260 3.596 3.960 -0.173 0.000 0.257 1860 G C -0.113 174.770 174.900 -0.027 0.000 1.042 1860 G CA -0.118 44.976 45.100 -0.010 0.000 0.791 1860 G HN 0.285 nan 8.290 nan 0.000 0.502 1861 I N 2.043 122.583 120.570 -0.050 0.000 2.304 1861 I HA 0.439 4.505 4.170 -0.173 0.000 0.291 1861 I C 0.967 177.046 176.117 -0.064 0.000 1.018 1861 I CA 0.102 61.352 61.300 -0.083 0.000 1.260 1861 I CB 1.175 39.097 38.000 -0.130 0.000 1.390 1861 I HN 0.326 nan 8.210 nan 0.000 0.475 1862 T N 2.820 117.341 114.554 -0.055 0.000 2.926 1862 T HA 0.466 4.712 4.350 -0.173 0.000 0.289 1862 T C -2.262 172.431 174.700 -0.012 0.000 1.054 1862 T CA -2.017 60.070 62.100 -0.022 0.000 1.015 1862 T CB 1.925 70.800 68.868 0.011 0.000 1.167 1862 T HN 0.193 nan 8.240 nan 0.000 0.526 1863 P HA 0.126 nan 4.420 nan 0.000 0.234 1863 P C 0.611 178.148 177.300 0.395 0.000 1.167 1863 P CA 0.518 63.753 63.100 0.225 0.000 0.763 1863 P CB 0.003 31.773 31.700 0.116 0.000 0.835 1864 E N -0.719 119.603 120.200 0.203 0.000 2.435 1864 E HA 0.065 4.312 4.350 -0.173 0.000 0.195 1864 E C 0.455 177.118 176.600 0.105 0.000 1.029 1864 E CA 0.210 56.713 56.400 0.172 0.000 0.865 1864 E CB -0.386 29.384 29.700 0.117 0.000 0.833 1864 E HN 0.299 nan 8.360 nan 0.000 0.510 1865 L N 0.827 122.076 121.223 0.044 0.000 2.326 1865 L HA 0.340 4.576 4.340 -0.173 0.000 0.278 1865 L C -0.344 176.446 176.870 -0.133 0.000 1.092 1865 L CA -0.792 54.000 54.840 -0.080 0.000 0.810 1865 L CB 1.140 43.138 42.059 -0.101 0.000 1.153 1865 L HN -0.200 nan 8.230 nan 0.000 0.439 1866 V N 3.609 123.282 119.914 -0.400 0.000 2.555 1866 V HA 0.455 4.471 4.120 -0.173 0.000 0.302 1866 V C -0.045 175.681 176.094 -0.614 0.000 1.038 1866 V CA -0.697 61.303 62.300 -0.501 0.000 0.887 1866 V CB 2.038 33.432 31.823 -0.715 0.000 0.991 1866 V HN 0.693 nan 8.190 nan 0.000 0.434 1867 R N 3.960 124.280 120.500 -0.300 0.000 2.338 1867 R HA 0.656 4.892 4.340 -0.173 0.000 0.317 1867 R C -1.268 174.923 176.300 -0.181 0.000 0.968 1867 R CA -0.512 55.459 56.100 -0.215 0.000 0.849 1867 R CB 1.439 31.699 30.300 -0.068 0.000 1.128 1867 R HN 0.771 nan 8.270 nan 0.000 0.448 1868 I N 2.147 122.567 120.570 -0.250 0.000 2.493 1868 I HA 0.230 4.297 4.170 -0.173 0.000 0.298 1868 I C -0.821 175.125 176.117 -0.286 0.000 0.998 1868 I CA -0.317 60.854 61.300 -0.215 0.000 1.137 1868 I CB 2.090 40.016 38.000 -0.124 0.000 1.310 1868 I HN 0.539 nan 8.210 nan 0.000 0.445 1869 S N 6.755 122.364 115.700 -0.152 0.000 2.577 1869 S HA 0.409 4.776 4.470 -0.173 0.000 0.294 1869 S C -0.769 173.827 174.600 -0.007 0.000 1.161 1869 S CA -0.575 57.553 58.200 -0.120 0.000 1.143 1869 S CB 0.452 63.548 63.200 -0.174 0.000 0.991 1869 S HN 0.387 nan 8.310 nan 0.000 0.475 1870 V N 5.646 125.617 119.914 0.096 0.000 2.470 1870 V HA 0.399 4.415 4.120 -0.173 0.000 0.276 1870 V C 1.543 177.806 176.094 0.281 0.000 1.040 1870 V CA 0.210 62.618 62.300 0.180 0.000 1.008 1870 V CB 0.491 32.471 31.823 0.262 0.000 0.990 1870 V HN 0.897 nan 8.190 nan 0.000 0.477 1871 G N 4.054 112.966 108.800 0.187 0.000 2.489 1871 G HA2 0.362 4.219 3.960 -0.173 0.000 0.271 1871 G HA3 0.362 4.219 3.960 -0.173 0.000 0.271 1871 G C 0.640 175.556 174.900 0.027 0.000 1.427 1871 G CA -0.211 44.997 45.100 0.180 0.000 1.057 1871 G HN 0.933 nan 8.290 nan 0.000 0.532 1872 I N -2.166 118.336 120.570 -0.114 0.000 3.891 1872 I HA 0.386 4.452 4.170 -0.173 0.000 0.331 1872 I C -0.127 175.948 176.117 -0.071 0.000 1.406 1872 I CA -0.371 60.832 61.300 -0.162 0.000 1.139 1872 I CB -0.055 37.793 38.000 -0.253 0.000 1.056 1872 I HN 0.113 nan 8.210 nan 0.000 0.399 1873 E N 2.198 122.378 120.200 -0.035 0.000 2.442 1873 E HA -0.031 4.216 4.350 -0.173 0.000 0.260 1873 E C 0.018 176.606 176.600 -0.019 0.000 1.148 1873 E CA -0.013 56.374 56.400 -0.021 0.000 0.976 1873 E CB 0.197 29.891 29.700 -0.011 0.000 0.967 1873 E HN 0.398 nan 8.360 nan 0.000 0.454 1874 N N 0.195 118.884 118.700 -0.019 0.000 2.440 1874 N HA -0.078 4.558 4.740 -0.173 0.000 0.265 1874 N C 0.545 176.040 175.510 -0.023 0.000 1.239 1874 N CA -0.071 52.967 53.050 -0.020 0.000 0.909 1874 N CB 0.590 39.065 38.487 -0.021 0.000 1.066 1874 N HN 0.308 nan 8.380 nan 0.000 0.474 1875 V N 2.329 122.231 119.914 -0.021 0.000 2.392 1875 V HA -0.243 3.773 4.120 -0.173 0.000 0.249 1875 V C 1.483 177.539 176.094 -0.064 0.000 1.059 1875 V CA 1.687 63.971 62.300 -0.027 0.000 1.051 1875 V CB -0.556 31.256 31.823 -0.018 0.000 0.658 1875 V HN 0.722 nan 8.190 nan 0.000 0.455 1876 D N 0.264 120.625 120.400 -0.064 0.000 2.178 1876 D HA -0.141 4.395 4.640 -0.173 0.000 0.201 1876 D C 1.891 178.135 176.300 -0.093 0.000 0.980 1876 D CA 1.401 55.347 54.000 -0.089 0.000 0.842 1876 D CB -0.232 40.530 40.800 -0.064 0.000 0.948 1876 D HN 0.459 nan 8.370 nan 0.000 0.472 1877 D N 0.475 120.837 120.400 -0.063 0.000 2.149 1877 D HA -0.085 4.452 4.640 -0.173 0.000 0.201 1877 D C 2.314 178.578 176.300 -0.058 0.000 0.972 1877 D CA 0.356 54.325 54.000 -0.052 0.000 0.835 1877 D CB -0.143 40.638 40.800 -0.032 0.000 0.966 1877 D HN 0.386 nan 8.370 nan 0.000 0.476 1878 I N -1.278 119.258 120.570 -0.057 0.000 2.439 1878 I HA -0.083 3.984 4.170 -0.173 0.000 0.251 1878 I C 2.088 178.144 176.117 -0.101 0.000 1.139 1878 I CA 0.913 62.185 61.300 -0.047 0.000 1.438 1878 I CB -0.152 37.843 38.000 -0.008 0.000 1.085 1878 I HN -0.166 nan 8.210 nan 0.000 0.427 1879 I N 1.620 122.075 120.570 -0.191 0.000 2.179 1879 I HA -0.232 3.835 4.170 -0.173 0.000 0.242 1879 I C 2.858 178.749 176.117 -0.378 0.000 1.088 1879 I CA 1.381 62.422 61.300 -0.433 0.000 1.357 1879 I CB -0.592 37.042 38.000 -0.610 0.000 1.051 1879 I HN 0.377 nan 8.210 nan 0.000 0.409 1880 A N 0.158 122.845 122.820 -0.223 0.000 1.978 1880 A HA -0.296 3.920 4.320 -0.173 0.000 0.220 1880 A C 1.959 179.506 177.584 -0.061 0.000 1.170 1880 A CA 2.291 54.253 52.037 -0.124 0.000 0.636 1880 A CB -0.607 18.345 19.000 -0.081 0.000 0.810 1880 A HN 0.440 nan 8.150 nan 0.000 0.448 1881 D N -0.223 120.146 120.400 -0.051 0.000 2.103 1881 D HA -0.072 4.464 4.640 -0.173 0.000 0.199 1881 D C 1.853 178.162 176.300 0.015 0.000 0.978 1881 D CA 1.094 55.089 54.000 -0.009 0.000 0.829 1881 D CB -0.207 40.592 40.800 -0.003 0.000 0.981 1881 D HN 0.403 nan 8.370 nan 0.000 0.464 1882 L N 0.150 121.379 121.223 0.010 0.000 2.046 1882 L HA -0.128 4.109 4.340 -0.173 0.000 0.208 1882 L C 2.576 179.508 176.870 0.104 0.000 1.077 1882 L CA 1.136 56.017 54.840 0.069 0.000 0.747 1882 L CB -0.389 41.745 42.059 0.126 0.000 0.896 1882 L HN 0.029 nan 8.230 nan 0.000 0.432 1883 K N 0.328 120.793 120.400 0.109 0.000 2.009 1883 K HA -0.280 3.937 4.320 -0.173 0.000 0.210 1883 K C 2.215 178.883 176.600 0.115 0.000 1.049 1883 K CA 2.019 58.424 56.287 0.196 0.000 0.929 1883 K CB -0.021 32.557 32.500 0.130 0.000 0.714 1883 K HN 0.358 nan 8.250 nan 0.000 0.440 1884 Q N -0.018 119.820 119.800 0.062 0.000 2.124 1884 Q HA -0.069 4.168 4.340 -0.173 0.000 0.202 1884 Q C 1.727 177.750 176.000 0.039 0.000 0.977 1884 Q CA 1.768 57.599 55.803 0.046 0.000 0.850 1884 Q CB -0.541 28.216 28.738 0.031 0.000 0.901 1884 Q HN 0.300 nan 8.270 nan 0.000 0.429 1885 A N 0.245 123.094 122.820 0.048 0.000 2.119 1885 A HA 0.105 4.321 4.320 -0.173 0.000 0.217 1885 A C 1.909 179.505 177.584 0.020 0.000 1.153 1885 A CA 0.820 52.887 52.037 0.051 0.000 0.692 1885 A CB -0.334 18.716 19.000 0.082 0.000 0.799 1885 A HN 0.411 nan 8.150 nan 0.000 0.458 1886 L N -1.742 119.488 121.223 0.011 0.000 2.513 1886 L HA 0.125 4.361 4.340 -0.173 0.000 0.222 1886 L C 1.726 178.620 176.870 0.040 0.000 1.096 1886 L CA 0.534 55.359 54.840 -0.025 0.000 0.857 1886 L CB 0.145 42.076 42.059 -0.213 0.000 1.026 1886 L HN 0.382 nan 8.230 nan 0.000 0.469 1887 E N -0.708 119.525 120.200 0.055 0.000 2.514 1887 E HA 0.266 4.512 4.350 -0.173 0.000 0.215 1887 E C -0.015 176.596 176.600 0.018 0.000 0.946 1887 E CA -0.004 56.438 56.400 0.069 0.000 1.038 1887 E CB 0.919 30.688 29.700 0.114 0.000 1.069 1887 E HN 0.272 nan 8.360 nan 0.000 0.503 1888 L N 0.000 121.213 121.223 -0.017 0.000 2.949 1888 L HA 0.000 4.236 4.340 -0.173 0.000 0.249 1888 L CA 0.000 54.811 54.840 -0.048 0.000 0.813 1888 L CB 0.000 42.042 42.059 -0.028 0.000 0.961 1888 L HN 0.000 nan 8.230 nan 0.000 0.502