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 1qpq_1_D DATA FIRST_RESID 1502 DATA SEQUENCE GLSDWELAAA RAAIARGLDE DLRYGPDVTT LATVPASATT TASLVTREAG DATA SEQUENCE VVAGLDVALL TLNEVLGTNG YRVLDRVEDG ARVPPGEALM TLEAQTRGLL DATA SEQUENCE TAERTMLNLV GHLSGIATAT AAWVDAVRGT KAKIRDTRKT LPGLRALQKY DATA SEQUENCE AVRTGGGVNH RLGLGDAALI KDNHVAAAGS VVDALRAVRN AAPDLPCEVE DATA SEQUENCE VDSLEQLDAV LPEKPELILL DNFAVWQTQT AVQRRDSRAP TVMLESSGGL DATA SEQUENCE SLQTAATYAE TGVDYLAVGA LTHSVRVLDI GLDM 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 1502 G HA2 0.000 nan 3.960 nan 0.000 0.244 1502 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 1502 G C 0.000 174.889 174.900 -0.018 0.000 0.946 1502 G CA 0.000 45.118 45.100 0.030 0.000 0.502 1503 L N 1.605 122.759 121.223 -0.116 0.000 2.395 1503 L HA 0.495 4.834 4.340 -0.001 0.000 0.269 1503 L C 1.394 178.209 176.870 -0.092 0.000 1.133 1503 L CA -0.456 54.259 54.840 -0.209 0.000 0.812 1503 L CB 1.439 43.336 42.059 -0.271 0.000 1.125 1503 L HN 0.763 nan 8.230 nan 0.000 0.452 1504 S N 0.114 115.771 115.700 -0.071 0.000 2.671 1504 S HA 0.161 4.630 4.470 -0.001 0.000 0.272 1504 S C 0.662 175.265 174.600 0.005 0.000 1.174 1504 S CA -0.724 57.477 58.200 0.002 0.000 1.004 1504 S CB 0.989 64.224 63.200 0.058 0.000 1.077 1504 S HN 0.636 nan 8.310 nan 0.000 0.553 1505 D N 0.149 120.585 120.400 0.060 0.000 2.097 1505 D HA -0.140 4.500 4.640 -0.001 0.000 0.195 1505 D C 1.610 177.997 176.300 0.144 0.000 0.989 1505 D CA 1.380 55.430 54.000 0.082 0.000 0.827 1505 D CB -0.265 40.591 40.800 0.094 0.000 0.966 1505 D HN 0.807 nan 8.370 nan 0.000 0.456 1506 W N 2.074 123.364 121.300 -0.017 0.000 2.409 1506 W HA -0.136 4.523 4.660 -0.001 0.000 0.299 1506 W C 1.734 178.237 176.519 -0.026 0.000 1.203 1506 W CA 0.776 58.111 57.345 -0.015 0.000 1.298 1506 W CB 0.147 29.604 29.460 -0.006 0.000 1.127 1506 W HN -0.041 nan 8.180 nan 0.000 0.528 1507 E N 0.758 120.747 120.200 -0.352 0.000 2.072 1507 E HA -0.260 4.090 4.350 -0.001 0.000 0.191 1507 E C 2.093 178.464 176.600 -0.382 0.000 0.985 1507 E CA 1.393 57.485 56.400 -0.513 0.000 0.801 1507 E CB -0.453 29.035 29.700 -0.355 0.000 0.750 1507 E HN 0.133 nan 8.360 nan 0.000 0.452 1508 L N 0.781 121.869 121.223 -0.225 0.000 2.046 1508 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 1508 L C 2.198 178.986 176.870 -0.138 0.000 1.077 1508 L CA 1.904 56.650 54.840 -0.157 0.000 0.747 1508 L CB -0.638 41.371 42.059 -0.082 0.000 0.896 1508 L HN 0.066 nan 8.230 nan 0.000 0.432 1509 A N -1.194 121.562 122.820 -0.107 0.000 1.929 1509 A HA -0.034 4.286 4.320 -0.001 0.000 0.216 1509 A C 2.426 179.923 177.584 -0.145 0.000 1.176 1509 A CA 1.454 53.461 52.037 -0.051 0.000 0.628 1509 A CB -0.917 18.141 19.000 0.098 0.000 0.816 1509 A HN 0.461 nan 8.150 nan 0.000 0.444 1510 A N 0.083 122.674 122.820 -0.383 0.000 1.902 1510 A HA 0.149 4.468 4.320 -0.001 0.000 0.217 1510 A C 2.508 179.935 177.584 -0.261 0.000 1.181 1510 A CA 2.119 53.880 52.037 -0.460 0.000 0.623 1510 A CB -1.057 17.436 19.000 -0.846 0.000 0.818 1510 A HN 0.999 nan 8.150 nan 0.000 0.443 1511 A N 0.045 122.716 122.820 -0.248 0.000 1.851 1511 A HA -0.206 4.113 4.320 -0.001 0.000 0.216 1511 A C 2.238 179.755 177.584 -0.111 0.000 1.195 1511 A CA 1.674 53.609 52.037 -0.169 0.000 0.622 1511 A CB -0.597 18.300 19.000 -0.172 0.000 0.831 1511 A HN 0.552 nan 8.150 nan 0.000 0.444 1512 R N -0.531 119.913 120.500 -0.092 0.000 2.103 1512 R HA -0.156 4.183 4.340 -0.001 0.000 0.242 1512 R C 2.456 178.728 176.300 -0.047 0.000 1.142 1512 R CA 1.315 57.382 56.100 -0.056 0.000 0.960 1512 R CB -0.573 29.705 30.300 -0.037 0.000 0.858 1512 R HN 0.541 nan 8.270 nan 0.000 0.439 1513 A N 1.347 124.137 122.820 -0.051 0.000 1.877 1513 A HA -0.113 4.206 4.320 -0.001 0.000 0.216 1513 A C 2.414 179.974 177.584 -0.039 0.000 1.186 1513 A CA 1.704 53.721 52.037 -0.033 0.000 0.620 1513 A CB -0.643 18.344 19.000 -0.022 0.000 0.822 1513 A HN 0.406 nan 8.150 nan 0.000 0.443 1514 A N 0.468 123.252 122.820 -0.060 0.000 1.877 1514 A HA -0.056 4.264 4.320 -0.001 0.000 0.216 1514 A C 2.133 179.689 177.584 -0.047 0.000 1.186 1514 A CA 1.755 53.758 52.037 -0.056 0.000 0.620 1514 A CB -0.826 18.130 19.000 -0.074 0.000 0.822 1514 A HN 1.147 nan 8.150 nan 0.000 0.443 1515 I N -1.398 119.142 120.570 -0.049 0.000 2.286 1515 I HA -0.098 4.071 4.170 -0.001 0.000 0.248 1515 I C 2.266 178.364 176.117 -0.031 0.000 1.115 1515 I CA 1.865 63.140 61.300 -0.041 0.000 1.392 1515 I CB -0.658 37.316 38.000 -0.043 0.000 1.065 1515 I HN 0.170 nan 8.210 nan 0.000 0.418 1516 A N 1.083 123.886 122.820 -0.029 0.000 1.933 1516 A HA -0.129 4.190 4.320 -0.001 0.000 0.218 1516 A C 2.482 180.053 177.584 -0.021 0.000 1.175 1516 A CA 1.684 53.708 52.037 -0.022 0.000 0.628 1516 A CB -0.662 18.327 19.000 -0.018 0.000 0.814 1516 A HN 0.552 nan 8.150 nan 0.000 0.444 1517 R N -0.926 119.561 120.500 -0.022 0.000 2.090 1517 R HA -0.037 4.303 4.340 -0.001 0.000 0.228 1517 R C 2.420 178.710 176.300 -0.018 0.000 1.110 1517 R CA 0.906 56.994 56.100 -0.020 0.000 0.973 1517 R CB -0.547 29.741 30.300 -0.020 0.000 0.869 1517 R HN 0.515 nan 8.270 nan 0.000 0.440 1518 G N 1.560 110.347 108.800 -0.021 0.000 2.433 1518 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.216 1518 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.216 1518 G C 1.450 176.345 174.900 -0.009 0.000 1.186 1518 G CA 0.494 45.584 45.100 -0.017 0.000 0.779 1518 G HN 0.106 nan 8.290 nan 0.000 0.543 1519 L N 0.425 121.640 121.223 -0.013 0.000 2.042 1519 L HA -0.110 4.229 4.340 -0.001 0.000 0.210 1519 L C 2.574 179.439 176.870 -0.009 0.000 1.076 1519 L CA 1.593 56.428 54.840 -0.010 0.000 0.749 1519 L CB -0.411 41.640 42.059 -0.014 0.000 0.893 1519 L HN 0.257 nan 8.230 nan 0.000 0.432 1520 D N 0.022 120.412 120.400 -0.017 0.000 2.144 1520 D HA -0.207 4.433 4.640 -0.001 0.000 0.199 1520 D C 2.018 178.301 176.300 -0.029 0.000 0.984 1520 D CA 1.237 55.219 54.000 -0.031 0.000 0.834 1520 D CB 0.141 40.919 40.800 -0.037 0.000 0.955 1520 D HN 0.301 nan 8.370 nan 0.000 0.465 1521 E N -0.289 119.911 120.200 0.000 0.000 2.077 1521 E HA -0.166 4.183 4.350 -0.001 0.000 0.193 1521 E C 1.518 178.179 176.600 0.103 0.000 0.989 1521 E CA 1.123 57.550 56.400 0.044 0.000 0.800 1521 E CB 0.011 29.738 29.700 0.045 0.000 0.746 1521 E HN 0.343 nan 8.360 nan 0.000 0.452 1522 D N 0.200 120.640 120.400 0.067 0.000 2.149 1522 D HA -0.057 4.582 4.640 -0.001 0.000 0.201 1522 D C 1.711 178.068 176.300 0.096 0.000 0.972 1522 D CA 0.835 54.886 54.000 0.085 0.000 0.835 1522 D CB 0.164 40.988 40.800 0.042 0.000 0.966 1522 D HN 0.134 nan 8.370 nan 0.000 0.476 1523 L N 0.083 121.327 121.223 0.036 0.000 2.585 1523 L HA 0.218 4.558 4.340 -0.001 0.000 0.226 1523 L C 2.228 179.066 176.870 -0.053 0.000 1.113 1523 L CA -0.102 54.744 54.840 0.011 0.000 0.876 1523 L CB 0.014 42.069 42.059 -0.006 0.000 1.072 1523 L HN -0.105 nan 8.230 nan 0.000 0.468 1524 R N 0.784 121.190 120.500 -0.155 0.000 2.117 1524 R HA -0.219 4.121 4.340 -0.001 0.000 0.243 1524 R C 1.413 177.385 176.300 -0.547 0.000 1.143 1524 R CA 1.966 57.819 56.100 -0.411 0.000 0.968 1524 R CB -0.191 29.717 30.300 -0.653 0.000 0.863 1524 R HN 0.348 nan 8.270 nan 0.000 0.444 1525 Y N -0.753 119.544 120.300 -0.005 0.000 2.466 1525 Y HA 0.384 4.933 4.550 -0.001 0.000 0.272 1525 Y C 0.978 176.876 175.900 -0.003 0.000 1.169 1525 Y CA 0.311 58.408 58.100 -0.004 0.000 1.285 1525 Y CB 0.884 39.341 38.460 -0.004 0.000 1.078 1525 Y HN 0.348 nan 8.280 nan 0.000 0.523 1526 G N -0.001 108.838 108.800 0.064 0.000 2.361 1526 G HA2 0.078 4.037 3.960 -0.001 0.000 0.331 1526 G HA3 0.078 4.037 3.960 -0.001 0.000 0.331 1526 G C -3.082 171.844 174.900 0.043 0.000 1.324 1526 G CA -1.335 43.793 45.100 0.048 0.000 0.984 1526 G HN -0.150 nan 8.290 nan 0.000 0.586 1527 P HA 0.307 nan 4.420 nan 0.000 0.277 1527 P C -0.763 176.555 177.300 0.029 0.000 1.271 1527 P CA -0.252 62.861 63.100 0.023 0.000 0.795 1527 P CB 0.844 32.553 31.700 0.015 0.000 1.101 1528 D N 0.576 120.990 120.400 0.022 0.000 2.541 1528 D HA -0.029 4.610 4.640 -0.001 0.000 0.231 1528 D C 1.357 177.666 176.300 0.016 0.000 1.163 1528 D CA -0.032 53.980 54.000 0.020 0.000 1.077 1528 D CB -0.575 40.233 40.800 0.014 0.000 1.110 1528 D HN -0.011 nan 8.370 nan 0.000 0.499 1529 V N 3.447 123.371 119.914 0.018 0.000 2.380 1529 V HA -0.262 3.857 4.120 -0.001 0.000 0.251 1529 V C 2.190 178.290 176.094 0.009 0.000 1.063 1529 V CA 2.851 65.159 62.300 0.014 0.000 1.055 1529 V CB -0.522 31.310 31.823 0.015 0.000 0.657 1529 V HN 0.683 nan 8.190 nan 0.000 0.455 1530 T N -1.130 113.429 114.554 0.008 0.000 2.777 1530 T HA -0.205 4.144 4.350 -0.001 0.000 0.266 1530 T C 1.999 176.702 174.700 0.005 0.000 1.040 1530 T CA 2.776 64.879 62.100 0.005 0.000 1.141 1530 T CB -0.657 68.213 68.868 0.003 0.000 0.868 1530 T HN 0.815 nan 8.240 nan 0.000 0.444 1531 T N -0.297 114.260 114.554 0.006 0.000 2.985 1531 T HA 0.084 4.433 4.350 -0.001 0.000 0.266 1531 T C 1.918 176.621 174.700 0.006 0.000 1.076 1531 T CA 0.528 62.631 62.100 0.005 0.000 1.135 1531 T CB -0.436 68.435 68.868 0.004 0.000 0.890 1531 T HN 0.237 nan 8.240 nan 0.000 0.480 1532 L N 1.600 122.827 121.223 0.007 0.000 2.056 1532 L HA 0.337 4.676 4.340 -0.001 0.000 0.207 1532 L C 3.034 179.908 176.870 0.006 0.000 1.078 1532 L CA 1.630 56.474 54.840 0.007 0.000 0.749 1532 L CB -1.264 40.799 42.059 0.008 0.000 0.901 1532 L HN 0.455 nan 8.230 nan 0.000 0.433 1533 A N -1.618 121.205 122.820 0.006 0.000 2.014 1533 A HA -0.111 4.208 4.320 -0.001 0.000 0.218 1533 A C 2.245 179.832 177.584 0.004 0.000 1.163 1533 A CA 1.805 53.845 52.037 0.005 0.000 0.652 1533 A CB -0.673 18.329 19.000 0.004 0.000 0.808 1533 A HN 0.512 nan 8.150 nan 0.000 0.449 1534 T N -4.043 110.514 114.554 0.004 0.000 3.018 1534 T HA 0.297 4.646 4.350 -0.001 0.000 0.246 1534 T C 0.484 175.186 174.700 0.004 0.000 1.026 1534 T CA 0.571 62.673 62.100 0.003 0.000 1.081 1534 T CB -0.330 68.539 68.868 0.003 0.000 0.970 1534 T HN 0.622 nan 8.240 nan 0.000 0.475 1535 V N 4.350 124.267 119.914 0.004 0.000 2.384 1535 V HA 0.600 4.719 4.120 -0.001 0.000 0.287 1535 V C -2.816 173.281 176.094 0.005 0.000 1.020 1535 V CA -2.804 59.499 62.300 0.005 0.000 0.850 1535 V CB 1.711 33.537 31.823 0.005 0.000 0.987 1535 V HN 0.126 nan 8.190 nan 0.000 0.436 1536 P HA 0.158 nan 4.420 nan 0.000 0.269 1536 P C 0.688 177.992 177.300 0.007 0.000 1.215 1536 P CA 0.285 63.389 63.100 0.006 0.000 0.780 1536 P CB 1.434 33.137 31.700 0.005 0.000 0.898 1537 A N 2.733 125.557 122.820 0.007 0.000 1.978 1537 A HA -0.173 4.146 4.320 -0.001 0.000 0.220 1537 A C 2.078 179.668 177.584 0.009 0.000 1.170 1537 A CA 2.182 54.223 52.037 0.008 0.000 0.636 1537 A CB -1.555 17.450 19.000 0.007 0.000 0.810 1537 A HN 0.663 nan 8.150 nan 0.000 0.448 1538 S N -0.195 115.509 115.700 0.008 0.000 2.522 1538 S HA 0.446 4.915 4.470 -0.001 0.000 0.227 1538 S C 1.060 175.666 174.600 0.010 0.000 0.986 1538 S CA 0.241 58.446 58.200 0.009 0.000 0.929 1538 S CB -0.691 62.513 63.200 0.007 0.000 0.769 1538 S HN 0.875 nan 8.310 nan 0.000 0.529 1539 A N 1.379 124.205 122.820 0.009 0.000 2.507 1539 A HA 0.508 4.828 4.320 -0.001 0.000 0.235 1539 A C 0.359 177.951 177.584 0.013 0.000 1.070 1539 A CA 0.248 52.291 52.037 0.010 0.000 0.768 1539 A CB 0.022 19.027 19.000 0.008 0.000 1.011 1539 A HN 0.313 nan 8.150 nan 0.000 0.502 1540 T N 0.636 115.198 114.554 0.013 0.000 2.982 1540 T HA 0.700 5.049 4.350 -0.001 0.000 0.321 1540 T C -0.465 174.244 174.700 0.016 0.000 1.229 1540 T CA 0.072 62.182 62.100 0.017 0.000 1.044 1540 T CB 1.851 70.730 68.868 0.018 0.000 1.184 1540 T HN 1.138 nan 8.240 nan 0.000 0.477 1541 T N -0.678 113.887 114.554 0.018 0.000 2.787 1541 T HA 0.722 5.071 4.350 -0.001 0.000 0.297 1541 T C -0.947 173.765 174.700 0.020 0.000 1.221 1541 T CA -0.890 61.219 62.100 0.016 0.000 1.006 1541 T CB 1.715 70.590 68.868 0.011 0.000 1.328 1541 T HN 0.426 nan 8.240 nan 0.000 0.509 1542 T N 1.122 115.686 114.554 0.017 0.000 2.779 1542 T HA 0.782 5.131 4.350 -0.001 0.000 0.280 1542 T C -0.416 174.292 174.700 0.013 0.000 0.987 1542 T CA -0.568 61.543 62.100 0.019 0.000 0.966 1542 T CB 1.131 70.009 68.868 0.017 0.000 0.933 1542 T HN 1.046 nan 8.240 nan 0.000 0.442 1543 A N 2.390 125.217 122.820 0.012 0.000 2.454 1543 A HA 0.886 5.206 4.320 -0.001 0.000 0.302 1543 A C -0.459 177.127 177.584 0.004 0.000 1.079 1543 A CA -0.769 51.271 52.037 0.004 0.000 0.731 1543 A CB 1.684 20.682 19.000 -0.003 0.000 1.299 1543 A HN 0.663 nan 8.150 nan 0.000 0.413 1544 S N 0.740 116.440 115.700 0.001 0.000 2.536 1544 S HA 0.580 5.049 4.470 -0.001 0.000 0.287 1544 S C -1.028 173.571 174.600 -0.002 0.000 1.101 1544 S CA -0.559 57.642 58.200 0.002 0.000 0.950 1544 S CB 1.236 64.439 63.200 0.005 0.000 1.056 1544 S HN 0.541 nan 8.310 nan 0.000 0.481 1545 L N 3.626 124.848 121.223 -0.003 0.000 2.261 1545 L HA 0.509 4.849 4.340 -0.001 0.000 0.289 1545 L C -0.089 176.782 176.870 0.001 0.000 1.059 1545 L CA -0.214 54.624 54.840 -0.004 0.000 0.816 1545 L CB 0.687 42.742 42.059 -0.006 0.000 1.191 1545 L HN 0.554 nan 8.230 nan 0.000 0.431 1546 V N 2.848 122.764 119.914 0.002 0.000 2.604 1546 V HA 0.674 4.793 4.120 -0.001 0.000 0.305 1546 V C 0.271 176.368 176.094 0.004 0.000 1.043 1546 V CA -0.476 61.826 62.300 0.003 0.000 0.888 1546 V CB 2.148 33.973 31.823 0.003 0.000 0.995 1546 V HN 0.857 nan 8.190 nan 0.000 0.429 1547 T N 3.249 117.806 114.554 0.005 0.000 2.913 1547 T HA 0.463 4.813 4.350 -0.001 0.000 0.297 1547 T C 0.568 175.270 174.700 0.004 0.000 1.029 1547 T CA -0.358 61.745 62.100 0.005 0.000 1.104 1547 T CB 1.212 70.083 68.868 0.005 0.000 0.964 1547 T HN 0.789 nan 8.240 nan 0.000 0.532 1548 R N 0.414 120.916 120.500 0.005 0.000 2.362 1548 R HA 0.241 4.580 4.340 -0.001 0.000 0.227 1548 R C 0.686 176.988 176.300 0.004 0.000 0.905 1548 R CA 0.084 56.187 56.100 0.004 0.000 1.067 1548 R CB 0.252 30.555 30.300 0.005 0.000 1.078 1548 R HN 0.932 nan 8.270 nan 0.000 0.516 1549 E N -1.733 118.469 120.200 0.004 0.000 2.454 1549 E HA 0.624 4.973 4.350 -0.001 0.000 0.279 1549 E C -1.429 175.172 176.600 0.002 0.000 1.029 1549 E CA -1.243 55.159 56.400 0.003 0.000 0.831 1549 E CB 1.033 30.735 29.700 0.003 0.000 1.405 1549 E HN -0.073 nan 8.360 nan 0.000 0.463 1550 A N 0.073 122.893 122.820 0.001 0.000 2.302 1550 A HA 0.849 5.168 4.320 -0.001 0.000 0.285 1550 A C 0.366 177.950 177.584 -0.000 0.000 1.105 1550 A CA 0.457 52.494 52.037 0.000 0.000 0.816 1550 A CB 0.766 19.765 19.000 -0.001 0.000 1.067 1550 A HN 0.984 nan 8.150 nan 0.000 0.489 1551 G N -1.209 107.590 108.800 -0.001 0.000 2.336 1551 G HA2 0.476 4.435 3.960 -0.001 0.000 0.286 1551 G HA3 0.476 4.435 3.960 -0.001 0.000 0.286 1551 G C -1.608 173.290 174.900 -0.003 0.000 1.269 1551 G CA 0.028 45.127 45.100 -0.002 0.000 0.873 1551 G HN 1.215 nan 8.290 nan 0.000 0.494 1552 V N 0.230 120.140 119.914 -0.006 0.000 2.513 1552 V HA 0.660 4.779 4.120 -0.001 0.000 0.299 1552 V C 0.199 176.287 176.094 -0.010 0.000 1.035 1552 V CA -0.779 61.515 62.300 -0.009 0.000 0.889 1552 V CB 1.373 33.187 31.823 -0.016 0.000 0.988 1552 V HN 1.017 nan 8.190 nan 0.000 0.440 1553 V N 4.815 124.726 119.914 -0.004 0.000 2.465 1553 V HA 0.896 5.016 4.120 -0.001 0.000 0.279 1553 V C 0.190 176.288 176.094 0.008 0.000 1.045 1553 V CA 0.229 62.532 62.300 0.005 0.000 0.938 1553 V CB 1.085 32.916 31.823 0.013 0.000 0.986 1553 V HN 1.191 nan 8.190 nan 0.000 0.467 1554 A N 4.478 127.312 122.820 0.023 0.000 2.486 1554 A HA 0.784 5.103 4.320 -0.001 0.000 0.300 1554 A C 0.499 178.157 177.584 0.123 0.000 1.048 1554 A CA -0.029 52.044 52.037 0.060 0.000 0.696 1554 A CB 1.637 20.633 19.000 -0.005 0.000 1.278 1554 A HN 2.380 nan 8.150 nan 0.000 0.405 1555 G N 0.251 109.184 108.800 0.222 0.000 2.130 1555 G HA2 -0.087 3.872 3.960 -0.001 0.000 0.216 1555 G HA3 -0.087 3.872 3.960 -0.001 0.000 0.216 1555 G C 0.495 175.429 174.900 0.057 0.000 0.999 1555 G CA 0.340 45.525 45.100 0.143 0.000 0.686 1555 G HN 1.081 nan 8.290 nan 0.000 0.515 1556 L N 0.882 122.141 121.223 0.060 0.000 2.141 1556 L HA 0.099 4.438 4.340 -0.001 0.000 0.209 1556 L C 2.271 179.144 176.870 0.005 0.000 1.094 1556 L CA 2.369 57.226 54.840 0.028 0.000 0.763 1556 L CB -0.391 41.690 42.059 0.037 0.000 0.908 1556 L HN 0.314 nan 8.230 nan 0.000 0.437 1557 D N -1.213 119.184 120.400 -0.006 0.000 2.219 1557 D HA -0.102 4.537 4.640 -0.001 0.000 0.205 1557 D C 2.277 178.548 176.300 -0.049 0.000 0.970 1557 D CA 0.865 54.847 54.000 -0.029 0.000 0.851 1557 D CB 0.103 40.867 40.800 -0.060 0.000 0.943 1557 D HN 0.190 nan 8.370 nan 0.000 0.488 1558 V N 1.259 121.138 119.914 -0.059 0.000 2.759 1558 V HA -0.152 3.967 4.120 -0.001 0.000 0.256 1558 V C 2.438 178.500 176.094 -0.054 0.000 1.080 1558 V CA 1.381 63.642 62.300 -0.065 0.000 1.101 1558 V CB -0.529 31.256 31.823 -0.063 0.000 0.698 1558 V HN 0.154 nan 8.190 nan 0.000 0.477 1559 A N 0.160 122.953 122.820 -0.046 0.000 1.854 1559 A HA -0.090 4.229 4.320 -0.001 0.000 0.214 1559 A C 2.073 179.596 177.584 -0.101 0.000 1.192 1559 A CA 1.348 53.346 52.037 -0.064 0.000 0.611 1559 A CB -0.498 18.471 19.000 -0.051 0.000 0.832 1559 A HN 0.362 nan 8.150 nan 0.000 0.442 1560 L N 0.032 121.212 121.223 -0.072 0.000 2.012 1560 L HA -0.165 4.175 4.340 -0.001 0.000 0.210 1560 L C 2.502 179.349 176.870 -0.038 0.000 1.073 1560 L CA 1.516 56.321 54.840 -0.060 0.000 0.748 1560 L CB -1.598 40.495 42.059 0.057 0.000 0.891 1560 L HN 0.379 nan 8.230 nan 0.000 0.431 1561 L N -1.050 120.157 121.223 -0.027 0.000 2.187 1561 L HA -0.212 4.127 4.340 -0.001 0.000 0.213 1561 L C 2.265 179.113 176.870 -0.036 0.000 1.100 1561 L CA 1.212 56.040 54.840 -0.020 0.000 0.765 1561 L CB -0.863 41.173 42.059 -0.039 0.000 0.904 1561 L HN 0.326 nan 8.230 nan 0.000 0.437 1562 T N -0.418 114.095 114.554 -0.068 0.000 2.896 1562 T HA -0.056 4.293 4.350 -0.001 0.000 0.263 1562 T C 1.862 176.508 174.700 -0.091 0.000 1.050 1562 T CA 0.612 62.669 62.100 -0.071 0.000 1.140 1562 T CB 0.029 68.852 68.868 -0.075 0.000 0.877 1562 T HN 0.022 nan 8.240 nan 0.000 0.457 1563 L N 1.994 123.113 121.223 -0.173 0.000 2.072 1563 L HA 0.076 4.415 4.340 -0.001 0.000 0.205 1563 L C 2.221 179.071 176.870 -0.032 0.000 1.079 1563 L CA 1.336 56.032 54.840 -0.240 0.000 0.752 1563 L CB -1.481 40.115 42.059 -0.771 0.000 0.906 1563 L HN 0.170 nan 8.230 nan 0.000 0.436 1564 N N -0.001 118.739 118.700 0.067 0.000 2.094 1564 N HA -0.245 4.495 4.740 -0.001 0.000 0.191 1564 N C 1.875 177.426 175.510 0.068 0.000 1.023 1564 N CA 1.325 54.463 53.050 0.146 0.000 0.857 1564 N CB -0.097 38.455 38.487 0.109 0.000 1.013 1564 N HN 0.336 nan 8.380 nan 0.000 0.426 1565 E N 0.276 120.491 120.200 0.025 0.000 2.107 1565 E HA -0.014 4.336 4.350 -0.001 0.000 0.191 1565 E C 1.752 178.358 176.600 0.010 0.000 0.982 1565 E CA 0.597 57.004 56.400 0.010 0.000 0.809 1565 E CB 0.037 29.733 29.700 -0.007 0.000 0.756 1565 E HN 0.101 nan 8.360 nan 0.000 0.459 1566 V N -0.166 119.751 119.914 0.004 0.000 2.426 1566 V HA -0.046 4.073 4.120 -0.001 0.000 0.242 1566 V C 2.094 178.203 176.094 0.025 0.000 1.036 1566 V CA 1.236 63.538 62.300 0.004 0.000 1.044 1566 V CB -0.191 31.622 31.823 -0.016 0.000 0.688 1566 V HN 0.236 nan 8.190 nan 0.000 0.462 1567 L N -0.357 120.897 121.223 0.051 0.000 2.513 1567 L HA 0.532 4.871 4.340 -0.001 0.000 0.222 1567 L C 1.061 177.997 176.870 0.110 0.000 1.096 1567 L CA 0.720 55.616 54.840 0.092 0.000 0.857 1567 L CB -0.140 42.010 42.059 0.152 0.000 1.026 1567 L HN 0.511 nan 8.230 nan 0.000 0.469 1568 G N -0.222 108.649 108.800 0.118 0.000 2.712 1568 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.686 1568 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.686 1568 G C 0.400 175.369 174.900 0.114 0.000 1.321 1568 G CA -0.268 44.885 45.100 0.089 0.000 0.813 1568 G HN 0.006 nan 8.290 nan 0.000 0.599 1569 T N 0.513 115.094 114.554 0.045 0.000 2.737 1569 T HA -0.138 4.211 4.350 -0.001 0.000 0.269 1569 T C 1.683 176.255 174.700 -0.214 0.000 1.040 1569 T CA 1.720 63.790 62.100 -0.050 0.000 1.142 1569 T CB -0.165 68.674 68.868 -0.048 0.000 0.861 1569 T HN 0.603 nan 8.240 nan 0.000 0.456 1570 N N 0.989 119.619 118.700 -0.117 0.000 2.346 1570 N HA 0.166 4.905 4.740 -0.001 0.000 0.225 1570 N C 1.289 176.749 175.510 -0.084 0.000 1.144 1570 N CA 0.102 53.075 53.050 -0.128 0.000 0.837 1570 N CB 0.492 38.937 38.487 -0.070 0.000 1.069 1570 N HN 0.485 nan 8.380 nan 0.000 0.487 1571 G N -0.115 108.656 108.800 -0.047 0.000 3.126 1571 G HA2 0.107 4.067 3.960 -0.001 0.000 0.224 1571 G HA3 0.107 4.067 3.960 -0.001 0.000 0.224 1571 G C -0.016 174.979 174.900 0.159 0.000 1.142 1571 G CA 0.137 45.283 45.100 0.077 0.000 0.759 1571 G HN 0.364 nan 8.290 nan 0.000 0.550 1572 Y N -2.278 118.021 120.300 -0.002 0.000 2.689 1572 Y HA 0.794 5.344 4.550 -0.001 0.000 0.333 1572 Y C -1.050 174.849 175.900 -0.002 0.000 1.208 1572 Y CA -2.230 55.869 58.100 -0.002 0.000 1.055 1572 Y CB 1.069 39.528 38.460 -0.002 0.000 1.304 1572 Y HN -0.076 nan 8.280 nan 0.000 0.455 1573 R N 1.301 121.864 120.500 0.106 0.000 2.574 1573 R HA 0.758 5.097 4.340 -0.001 0.000 0.288 1573 R C -2.214 174.169 176.300 0.138 0.000 1.004 1573 R CA -0.926 55.189 56.100 0.026 0.000 0.895 1573 R CB 2.298 32.600 30.300 0.003 0.000 1.191 1573 R HN 0.733 nan 8.270 nan 0.000 0.444 1574 V N 6.594 126.576 119.914 0.114 0.000 2.364 1574 V HA 0.142 4.261 4.120 -0.001 0.000 0.272 1574 V C 0.543 176.673 176.094 0.060 0.000 1.036 1574 V CA -0.372 61.998 62.300 0.116 0.000 0.880 1574 V CB 1.302 33.202 31.823 0.127 0.000 0.991 1574 V HN 0.755 nan 8.190 nan 0.000 0.460 1575 L N 2.745 123.999 121.223 0.051 0.000 2.202 1575 L HA 0.339 4.678 4.340 -0.001 0.000 0.205 1575 L C 0.692 177.578 176.870 0.027 0.000 1.083 1575 L CA 1.253 56.112 54.840 0.032 0.000 0.790 1575 L CB -0.398 41.678 42.059 0.028 0.000 0.942 1575 L HN 0.683 nan 8.230 nan 0.000 0.452 1576 D N -1.277 119.141 120.400 0.030 0.000 2.654 1576 D HA 0.514 5.153 4.640 -0.001 0.000 0.231 1576 D C -1.011 175.305 176.300 0.027 0.000 1.239 1576 D CA -0.517 53.498 54.000 0.025 0.000 0.790 1576 D CB 1.812 42.623 40.800 0.019 0.000 1.480 1576 D HN 0.098 nan 8.370 nan 0.000 0.442 1577 R N 0.237 120.751 120.500 0.024 0.000 2.692 1577 R HA 0.755 5.095 4.340 -0.001 0.000 0.269 1577 R C -1.803 174.510 176.300 0.021 0.000 1.030 1577 R CA -0.923 55.191 56.100 0.024 0.000 0.882 1577 R CB 0.882 31.200 30.300 0.030 0.000 1.250 1577 R HN 0.132 nan 8.270 nan 0.000 0.465 1578 V N 0.998 120.924 119.914 0.021 0.000 2.966 1578 V HA 0.355 4.475 4.120 -0.001 0.000 0.317 1578 V C -0.285 175.823 176.094 0.023 0.000 1.070 1578 V CA -0.701 61.610 62.300 0.019 0.000 1.008 1578 V CB 1.961 33.793 31.823 0.016 0.000 1.070 1578 V HN 0.733 nan 8.190 nan 0.000 0.457 1579 E N 1.458 121.672 120.200 0.022 0.000 2.319 1579 E HA 0.276 4.625 4.350 -0.001 0.000 0.268 1579 E C -0.904 175.714 176.600 0.030 0.000 1.050 1579 E CA -0.554 55.863 56.400 0.028 0.000 0.878 1579 E CB 0.756 30.471 29.700 0.024 0.000 1.066 1579 E HN 0.541 nan 8.360 nan 0.000 0.406 1580 D N -0.133 120.294 120.400 0.046 0.000 2.424 1580 D HA 0.309 4.948 4.640 -0.001 0.000 0.244 1580 D C 1.094 177.403 176.300 0.014 0.000 1.134 1580 D CA 1.375 55.404 54.000 0.048 0.000 0.881 1580 D CB 0.683 41.547 40.800 0.108 0.000 1.191 1580 D HN 0.611 nan 8.370 nan 0.000 0.445 1581 G N 1.208 110.002 108.800 -0.009 0.000 2.176 1581 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.232 1581 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.232 1581 G C 0.410 175.303 174.900 -0.011 0.000 0.986 1581 G CA 0.114 45.199 45.100 -0.025 0.000 0.643 1581 G HN 0.814 nan 8.290 nan 0.000 0.522 1582 A N 0.825 123.644 122.820 -0.001 0.000 2.409 1582 A HA 0.677 4.997 4.320 -0.001 0.000 0.262 1582 A C 0.778 178.362 177.584 -0.001 0.000 1.113 1582 A CA -0.149 51.889 52.037 0.001 0.000 0.790 1582 A CB 0.344 19.348 19.000 0.006 0.000 1.046 1582 A HN 0.329 nan 8.150 nan 0.000 0.496 1583 R N 1.809 122.308 120.500 -0.001 0.000 2.298 1583 R HA 0.408 4.748 4.340 -0.001 0.000 0.310 1583 R C -1.089 175.212 176.300 0.001 0.000 1.068 1583 R CA 0.011 56.111 56.100 -0.001 0.000 0.957 1583 R CB 0.999 31.298 30.300 -0.001 0.000 1.003 1583 R HN 0.484 nan 8.270 nan 0.000 0.454 1584 V N 6.582 126.497 119.914 0.001 0.000 2.735 1584 V HA 0.454 4.574 4.120 -0.001 0.000 0.310 1584 V C -2.072 174.023 176.094 0.001 0.000 1.061 1584 V CA -1.929 60.373 62.300 0.002 0.000 0.913 1584 V CB 2.746 34.571 31.823 0.003 0.000 1.005 1584 V HN 0.700 nan 8.190 nan 0.000 0.428 1585 P HA 0.433 nan 4.420 nan 0.000 0.283 1585 P C -2.550 174.751 177.300 0.002 0.000 1.278 1585 P CA -1.798 61.303 63.100 0.001 0.000 0.834 1585 P CB 1.305 33.005 31.700 0.001 0.000 1.150 1586 P HA -0.193 nan 4.420 nan 0.000 0.205 1586 P C 1.301 178.602 177.300 0.003 0.000 1.046 1586 P CA 2.212 65.314 63.100 0.002 0.000 0.968 1586 P CB -0.716 30.985 31.700 0.002 0.000 0.753 1587 G N -0.761 108.041 108.800 0.003 0.000 3.340 1587 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.240 1587 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.240 1587 G C 0.059 174.961 174.900 0.004 0.000 1.327 1587 G CA -0.042 45.060 45.100 0.003 0.000 1.170 1587 G HN 0.204 nan 8.290 nan 0.000 0.520 1588 E N 0.847 121.049 120.200 0.004 0.000 2.316 1588 E HA 0.492 4.841 4.350 -0.001 0.000 0.275 1588 E C 0.258 176.862 176.600 0.005 0.000 1.029 1588 E CA -0.309 56.093 56.400 0.005 0.000 0.871 1588 E CB 0.923 30.626 29.700 0.005 0.000 1.022 1588 E HN 0.138 nan 8.360 nan 0.000 0.418 1589 A N 5.998 128.821 122.820 0.006 0.000 2.316 1589 A HA 0.241 4.560 4.320 -0.001 0.000 0.311 1589 A C 0.816 178.405 177.584 0.008 0.000 1.339 1589 A CA -0.369 51.672 52.037 0.007 0.000 0.960 1589 A CB -0.125 18.880 19.000 0.007 0.000 1.152 1589 A HN 0.859 nan 8.150 nan 0.000 0.547 1590 L N 1.668 122.896 121.223 0.008 0.000 2.141 1590 L HA 0.100 4.440 4.340 -0.001 0.000 0.209 1590 L C 1.033 177.910 176.870 0.012 0.000 1.094 1590 L CA 0.963 55.809 54.840 0.010 0.000 0.763 1590 L CB -0.241 41.824 42.059 0.010 0.000 0.908 1590 L HN 0.774 nan 8.230 nan 0.000 0.437 1591 M N -0.966 118.641 119.600 0.011 0.000 2.373 1591 M HA 0.298 4.778 4.480 -0.001 0.000 0.290 1591 M C -1.677 174.631 176.300 0.013 0.000 1.143 1591 M CA -0.175 55.133 55.300 0.014 0.000 0.949 1591 M CB 2.421 35.028 32.600 0.011 0.000 1.756 1591 M HN -0.283 nan 8.290 nan 0.000 0.494 1592 T N 5.568 120.134 114.554 0.020 0.000 2.824 1592 T HA 0.784 5.133 4.350 -0.001 0.000 0.282 1592 T C -1.060 173.659 174.700 0.032 0.000 0.993 1592 T CA -0.612 61.500 62.100 0.020 0.000 0.967 1592 T CB 1.139 70.018 68.868 0.019 0.000 0.960 1592 T HN 0.560 nan 8.240 nan 0.000 0.441 1593 L N 0.168 121.411 121.223 0.033 0.000 2.403 1593 L HA 0.866 5.205 4.340 -0.001 0.000 0.253 1593 L C -0.678 176.225 176.870 0.055 0.000 1.045 1593 L CA -1.117 53.759 54.840 0.059 0.000 0.845 1593 L CB 1.659 43.763 42.059 0.074 0.000 1.447 1593 L HN 0.547 nan 8.230 nan 0.000 0.411 1594 E N 0.105 120.353 120.200 0.081 0.000 2.218 1594 E HA 0.834 5.184 4.350 -0.001 0.000 0.263 1594 E C -1.556 175.103 176.600 0.099 0.000 0.879 1594 E CA -0.653 55.787 56.400 0.067 0.000 0.762 1594 E CB 1.853 31.583 29.700 0.051 0.000 1.166 1594 E HN 1.074 nan 8.360 nan 0.000 0.415 1595 A N 3.807 126.672 122.820 0.076 0.000 2.610 1595 A HA 0.292 4.611 4.320 -0.001 0.000 0.291 1595 A C -1.189 176.428 177.584 0.055 0.000 1.086 1595 A CA -0.759 51.334 52.037 0.093 0.000 0.677 1595 A CB 1.622 20.681 19.000 0.099 0.000 1.278 1595 A HN 0.628 nan 8.150 nan 0.000 0.414 1596 Q N 0.385 120.218 119.800 0.056 0.000 2.300 1596 Q HA 0.117 4.456 4.340 -0.001 0.000 0.280 1596 Q C 0.435 176.450 176.000 0.024 0.000 1.033 1596 Q CA 0.906 56.730 55.803 0.035 0.000 0.903 1596 Q CB 0.534 29.293 28.738 0.034 0.000 1.195 1596 Q HN 0.780 nan 8.270 nan 0.000 0.386 1597 T N 4.600 119.164 114.554 0.017 0.000 2.746 1597 T HA -0.157 4.192 4.350 -0.001 0.000 0.267 1597 T C 1.543 176.247 174.700 0.007 0.000 1.039 1597 T CA 1.495 63.601 62.100 0.010 0.000 1.142 1597 T CB -0.022 68.852 68.868 0.009 0.000 0.866 1597 T HN 0.599 nan 8.240 nan 0.000 0.444 1598 R N 0.428 120.933 120.500 0.008 0.000 2.091 1598 R HA -0.061 4.278 4.340 -0.001 0.000 0.238 1598 R C 2.895 179.197 176.300 0.004 0.000 1.136 1598 R CA 1.399 57.502 56.100 0.006 0.000 0.959 1598 R CB -0.736 29.569 30.300 0.008 0.000 0.856 1598 R HN 0.465 nan 8.270 nan 0.000 0.437 1599 G N 0.819 109.623 108.800 0.006 0.000 2.422 1599 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.218 1599 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.218 1599 G C 1.436 176.327 174.900 -0.014 0.000 1.146 1599 G CA 0.316 45.416 45.100 0.002 0.000 0.769 1599 G HN 0.125 nan 8.290 nan 0.000 0.547 1600 L N -0.402 120.812 121.223 -0.015 0.000 1.994 1600 L HA -0.053 4.286 4.340 -0.001 0.000 0.208 1600 L C 2.776 179.632 176.870 -0.024 0.000 1.071 1600 L CA 0.470 55.293 54.840 -0.029 0.000 0.745 1600 L CB -0.336 41.711 42.059 -0.021 0.000 0.892 1600 L HN 0.136 nan 8.230 nan 0.000 0.431 1601 L N -0.653 120.562 121.223 -0.013 0.000 2.131 1601 L HA -0.187 4.152 4.340 -0.001 0.000 0.210 1601 L C 2.545 179.410 176.870 -0.009 0.000 1.092 1601 L CA 1.851 56.686 54.840 -0.009 0.000 0.759 1601 L CB -1.379 40.678 42.059 -0.004 0.000 0.903 1601 L HN 0.230 nan 8.230 nan 0.000 0.435 1602 T N -0.856 113.693 114.554 -0.008 0.000 2.857 1602 T HA -0.045 4.304 4.350 -0.001 0.000 0.266 1602 T C 1.914 176.606 174.700 -0.013 0.000 1.048 1602 T CA 1.111 63.208 62.100 -0.006 0.000 1.139 1602 T CB -0.165 68.702 68.868 -0.002 0.000 0.874 1602 T HN 0.380 nan 8.240 nan 0.000 0.455 1603 A N 1.180 123.986 122.820 -0.024 0.000 2.016 1603 A HA 0.006 4.326 4.320 -0.001 0.000 0.217 1603 A C 2.071 179.634 177.584 -0.035 0.000 1.162 1603 A CA 1.410 53.426 52.037 -0.035 0.000 0.662 1603 A CB -0.521 18.445 19.000 -0.057 0.000 0.812 1603 A HN 0.583 nan 8.150 nan 0.000 0.450 1604 E N -0.063 120.119 120.200 -0.030 0.000 2.110 1604 E HA -0.379 3.971 4.350 -0.001 0.000 0.225 1604 E C 2.214 178.802 176.600 -0.019 0.000 1.063 1604 E CA 2.154 58.539 56.400 -0.026 0.000 0.906 1604 E CB -0.173 29.516 29.700 -0.018 0.000 0.795 1604 E HN 0.417 nan 8.360 nan 0.000 0.479 1605 R N 0.081 120.573 120.500 -0.013 0.000 2.091 1605 R HA -0.092 4.247 4.340 -0.001 0.000 0.238 1605 R C 2.298 178.592 176.300 -0.011 0.000 1.136 1605 R CA 2.417 58.512 56.100 -0.008 0.000 0.959 1605 R CB -1.069 29.229 30.300 -0.004 0.000 0.856 1605 R HN 0.243 nan 8.270 nan 0.000 0.437 1606 T N 0.840 115.385 114.554 -0.015 0.000 2.746 1606 T HA -0.146 4.203 4.350 -0.001 0.000 0.267 1606 T C 1.705 176.391 174.700 -0.023 0.000 1.039 1606 T CA 1.625 63.714 62.100 -0.019 0.000 1.142 1606 T CB -0.225 68.629 68.868 -0.022 0.000 0.866 1606 T HN 0.363 nan 8.240 nan 0.000 0.444 1607 M N 0.392 119.975 119.600 -0.029 0.000 2.077 1607 M HA -0.052 4.428 4.480 -0.001 0.000 0.261 1607 M C 1.800 178.090 176.300 -0.017 0.000 1.070 1607 M CA 1.532 56.812 55.300 -0.033 0.000 1.125 1607 M CB -0.193 32.377 32.600 -0.050 0.000 1.339 1607 M HN 0.107 nan 8.290 nan 0.000 0.409 1608 L N 1.443 122.659 121.223 -0.012 0.000 2.083 1608 L HA -0.177 4.162 4.340 -0.001 0.000 0.209 1608 L C 2.138 179.016 176.870 0.013 0.000 1.083 1608 L CA 1.621 56.461 54.840 -0.000 0.000 0.752 1608 L CB -1.655 40.404 42.059 -0.001 0.000 0.899 1608 L HN 0.390 nan 8.230 nan 0.000 0.433 1609 N N -0.826 117.879 118.700 0.008 0.000 2.120 1609 N HA -0.160 4.580 4.740 -0.001 0.000 0.188 1609 N C 1.776 177.307 175.510 0.034 0.000 1.024 1609 N CA 0.931 53.990 53.050 0.015 0.000 0.852 1609 N CB -0.319 38.164 38.487 -0.006 0.000 1.003 1609 N HN 0.114 nan 8.380 nan 0.000 0.424 1610 L N 0.781 122.015 121.223 0.019 0.000 1.988 1610 L HA -0.066 4.273 4.340 -0.001 0.000 0.207 1610 L C 2.454 179.368 176.870 0.074 0.000 1.071 1610 L CA 1.293 56.155 54.840 0.037 0.000 0.744 1610 L CB -1.487 40.574 42.059 0.002 0.000 0.893 1610 L HN 0.127 nan 8.230 nan 0.000 0.433 1611 V N -1.559 118.382 119.914 0.045 0.000 2.515 1611 V HA -0.059 4.061 4.120 -0.001 0.000 0.250 1611 V C 2.332 178.458 176.094 0.053 0.000 1.058 1611 V CA 1.714 64.042 62.300 0.047 0.000 1.064 1611 V CB -1.310 30.529 31.823 0.026 0.000 0.675 1611 V HN 0.377 nan 8.190 nan 0.000 0.461 1612 G N -0.500 108.334 108.800 0.056 0.000 2.459 1612 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.217 1612 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.217 1612 G C 1.447 176.393 174.900 0.077 0.000 1.183 1612 G CA 1.323 46.456 45.100 0.055 0.000 0.776 1612 G HN 0.750 nan 8.290 nan 0.000 0.552 1613 H N 0.512 119.586 119.070 0.008 0.000 2.293 1613 H HA 0.088 4.644 4.556 -0.001 0.000 0.300 1613 H C 2.563 177.899 175.328 0.013 0.000 1.082 1613 H CA 1.519 57.573 56.048 0.010 0.000 1.308 1613 H CB -0.267 29.500 29.762 0.007 0.000 1.375 1613 H HN 0.241 nan 8.280 nan 0.000 0.495 1614 L N -0.613 120.652 121.223 0.070 0.000 2.131 1614 L HA -0.131 4.208 4.340 -0.001 0.000 0.210 1614 L C 2.425 179.274 176.870 -0.035 0.000 1.092 1614 L CA 1.239 56.085 54.840 0.011 0.000 0.759 1614 L CB -0.379 41.745 42.059 0.107 0.000 0.903 1614 L HN 0.281 nan 8.230 nan 0.000 0.435 1615 S N 0.046 115.738 115.700 -0.013 0.000 2.414 1615 S HA -0.042 4.428 4.470 -0.001 0.000 0.227 1615 S C 2.051 176.624 174.600 -0.045 0.000 1.022 1615 S CA 0.931 59.119 58.200 -0.020 0.000 0.958 1615 S CB -0.218 62.983 63.200 0.001 0.000 0.797 1615 S HN 0.583 nan 8.310 nan 0.000 0.493 1616 G N 2.077 110.836 108.800 -0.070 0.000 2.418 1616 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.217 1616 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.217 1616 G C 1.317 176.153 174.900 -0.106 0.000 1.158 1616 G CA 0.668 45.719 45.100 -0.082 0.000 0.771 1616 G HN 0.470 nan 8.290 nan 0.000 0.545 1617 I N 1.351 121.816 120.570 -0.174 0.000 2.142 1617 I HA -0.203 3.966 4.170 -0.001 0.000 0.240 1617 I C 3.334 179.395 176.117 -0.093 0.000 1.078 1617 I CA 1.109 62.315 61.300 -0.156 0.000 1.343 1617 I CB -0.357 37.528 38.000 -0.192 0.000 1.046 1617 I HN 0.257 nan 8.210 nan 0.000 0.405 1618 A N 0.360 123.129 122.820 -0.085 0.000 1.940 1618 A HA -0.207 4.113 4.320 -0.001 0.000 0.219 1618 A C 2.373 179.938 177.584 -0.031 0.000 1.176 1618 A CA 2.470 54.466 52.037 -0.069 0.000 0.631 1618 A CB -1.080 17.873 19.000 -0.077 0.000 0.814 1618 A HN 0.404 nan 8.150 nan 0.000 0.446 1619 T N 0.251 114.791 114.554 -0.024 0.000 2.674 1619 T HA -0.042 4.308 4.350 -0.001 0.000 0.265 1619 T C 2.265 176.983 174.700 0.029 0.000 1.039 1619 T CA 1.770 63.869 62.100 -0.002 0.000 1.150 1619 T CB -0.503 68.361 68.868 -0.006 0.000 0.864 1619 T HN 0.610 nan 8.240 nan 0.000 0.427 1620 A N 1.327 124.170 122.820 0.038 0.000 1.877 1620 A HA -0.132 4.188 4.320 -0.001 0.000 0.216 1620 A C 2.607 180.321 177.584 0.217 0.000 1.186 1620 A CA 2.417 54.527 52.037 0.122 0.000 0.620 1620 A CB -1.378 17.684 19.000 0.104 0.000 0.822 1620 A HN 0.579 nan 8.150 nan 0.000 0.443 1621 T N -1.372 113.240 114.554 0.095 0.000 2.881 1621 T HA 0.035 4.385 4.350 -0.001 0.000 0.270 1621 T C 1.811 176.590 174.700 0.131 0.000 1.068 1621 T CA 1.859 64.013 62.100 0.090 0.000 1.131 1621 T CB -0.441 68.409 68.868 -0.030 0.000 0.871 1621 T HN 0.559 nan 8.240 nan 0.000 0.479 1622 A N 0.885 123.754 122.820 0.081 0.000 2.014 1622 A HA 0.459 4.779 4.320 -0.001 0.000 0.218 1622 A C 2.772 180.401 177.584 0.075 0.000 1.163 1622 A CA 1.545 53.618 52.037 0.061 0.000 0.652 1622 A CB -1.182 17.833 19.000 0.025 0.000 0.808 1622 A HN 0.764 nan 8.150 nan 0.000 0.449 1623 A N -1.152 121.722 122.820 0.091 0.000 1.898 1623 A HA -0.090 4.230 4.320 -0.001 0.000 0.216 1623 A C 1.914 179.498 177.584 -0.001 0.000 1.181 1623 A CA 1.289 53.337 52.037 0.018 0.000 0.620 1623 A CB -0.811 18.176 19.000 -0.022 0.000 0.819 1623 A HN 0.700 nan 8.150 nan 0.000 0.442 1624 W N -0.180 121.110 121.300 -0.016 0.000 2.358 1624 W HA -0.110 4.550 4.660 -0.001 0.000 0.303 1624 W C 2.346 178.863 176.519 -0.003 0.000 1.208 1624 W CA 1.484 58.824 57.345 -0.009 0.000 1.274 1624 W CB -0.758 28.692 29.460 -0.016 0.000 1.138 1624 W HN 0.117 nan 8.180 nan 0.000 0.515 1625 V N 0.504 120.554 119.914 0.226 0.000 2.287 1625 V HA -0.320 3.799 4.120 -0.001 0.000 0.248 1625 V C 1.847 177.985 176.094 0.073 0.000 1.053 1625 V CA 2.298 64.673 62.300 0.125 0.000 1.027 1625 V CB -0.883 30.992 31.823 0.085 0.000 0.646 1625 V HN 0.063 nan 8.190 nan 0.000 0.447 1626 D N 0.183 120.611 120.400 0.045 0.000 2.178 1626 D HA -0.100 4.539 4.640 -0.001 0.000 0.201 1626 D C 2.197 178.498 176.300 0.002 0.000 0.980 1626 D CA 1.504 55.513 54.000 0.015 0.000 0.842 1626 D CB -0.320 40.479 40.800 -0.003 0.000 0.948 1626 D HN 0.448 nan 8.370 nan 0.000 0.472 1627 A N 0.623 123.436 122.820 -0.012 0.000 1.902 1627 A HA -0.131 4.188 4.320 -0.001 0.000 0.217 1627 A C 2.135 179.723 177.584 0.007 0.000 1.181 1627 A CA 1.733 53.746 52.037 -0.040 0.000 0.623 1627 A CB -0.492 18.428 19.000 -0.134 0.000 0.818 1627 A HN 0.250 nan 8.150 nan 0.000 0.443 1628 V N -2.386 117.559 119.914 0.051 0.000 3.421 1628 V HA 0.298 4.417 4.120 -0.001 0.000 0.316 1628 V C 0.671 176.790 176.094 0.043 0.000 1.347 1628 V CA -0.072 62.267 62.300 0.063 0.000 1.183 1628 V CB -1.295 30.592 31.823 0.106 0.000 1.092 1628 V HN 0.440 nan 8.190 nan 0.000 0.433 1629 R N 1.316 121.833 120.500 0.029 0.000 2.570 1629 R HA 0.436 4.776 4.340 -0.001 0.000 0.277 1629 R C 1.291 177.599 176.300 0.014 0.000 1.039 1629 R CA 1.287 57.399 56.100 0.019 0.000 1.065 1629 R CB 0.166 30.474 30.300 0.012 0.000 0.964 1629 R HN 0.916 nan 8.270 nan 0.000 0.428 1630 G N 1.874 110.681 108.800 0.010 0.000 2.137 1630 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.237 1630 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.237 1630 G C -0.059 174.846 174.900 0.007 0.000 1.002 1630 G CA 0.307 45.411 45.100 0.006 0.000 0.702 1630 G HN 0.704 nan 8.290 nan 0.000 0.515 1631 T N -1.268 113.292 114.554 0.009 0.000 2.865 1631 T HA 0.568 4.917 4.350 -0.001 0.000 0.294 1631 T C 1.271 175.970 174.700 -0.003 0.000 1.119 1631 T CA -0.039 62.066 62.100 0.008 0.000 1.007 1631 T CB 1.369 70.251 68.868 0.024 0.000 1.225 1631 T HN 0.359 nan 8.240 nan 0.000 0.515 1632 K N 0.546 120.936 120.400 -0.017 0.000 2.400 1632 K HA 0.479 4.799 4.320 -0.001 0.000 0.194 1632 K C 0.808 177.370 176.600 -0.064 0.000 1.033 1632 K CA -0.107 56.156 56.287 -0.041 0.000 1.021 1632 K CB 0.221 32.686 32.500 -0.058 0.000 0.808 1632 K HN 0.458 nan 8.250 nan 0.000 0.505 1633 A N 1.966 124.762 122.820 -0.040 0.000 2.498 1633 A HA 0.185 4.504 4.320 -0.001 0.000 0.239 1633 A C -0.720 176.867 177.584 0.006 0.000 1.068 1633 A CA 0.020 52.035 52.037 -0.037 0.000 0.766 1633 A CB 0.172 19.188 19.000 0.027 0.000 1.003 1633 A HN 0.354 nan 8.150 nan 0.000 0.497 1634 K N 1.127 121.548 120.400 0.036 0.000 2.259 1634 K HA 0.581 4.901 4.320 -0.001 0.000 0.249 1634 K C -0.786 175.924 176.600 0.184 0.000 0.942 1634 K CA -0.540 55.827 56.287 0.134 0.000 0.816 1634 K CB 1.697 34.323 32.500 0.210 0.000 1.155 1634 K HN 0.497 nan 8.250 nan 0.000 0.428 1635 I N 2.864 123.502 120.570 0.113 0.000 2.365 1635 I HA 0.348 4.518 4.170 -0.001 0.000 0.291 1635 I C 0.150 176.259 176.117 -0.012 0.000 1.004 1635 I CA -0.339 60.986 61.300 0.042 0.000 1.311 1635 I CB 0.776 38.796 38.000 0.032 0.000 1.401 1635 I HN 0.480 nan 8.210 nan 0.000 0.491 1636 R N 3.664 124.122 120.500 -0.070 0.000 2.854 1636 R HA 0.446 4.785 4.340 -0.001 0.000 0.271 1636 R C -0.860 175.372 176.300 -0.115 0.000 0.994 1636 R CA -0.854 55.186 56.100 -0.100 0.000 0.945 1636 R CB 2.242 32.445 30.300 -0.160 0.000 1.194 1636 R HN 0.599 nan 8.270 nan 0.000 0.476 1637 D N -0.317 120.037 120.400 -0.077 0.000 2.539 1637 D HA 0.409 5.049 4.640 -0.001 0.000 0.280 1637 D C 0.297 176.558 176.300 -0.064 0.000 1.208 1637 D CA -0.318 53.624 54.000 -0.095 0.000 1.088 1637 D CB 0.444 41.195 40.800 -0.082 0.000 1.149 1637 D HN 0.555 nan 8.370 nan 0.000 0.596 1638 T N -4.825 109.671 114.554 -0.097 0.000 2.618 1638 T HA 0.469 4.819 4.350 -0.001 0.000 0.286 1638 T C 0.256 174.900 174.700 -0.094 0.000 1.027 1638 T CA -1.039 60.975 62.100 -0.145 0.000 1.063 1638 T CB 1.065 69.856 68.868 -0.128 0.000 1.440 1638 T HN 0.289 nan 8.240 nan 0.000 0.505 1639 R N 0.272 120.714 120.500 -0.096 0.000 2.426 1639 R HA 0.217 4.557 4.340 -0.001 0.000 0.263 1639 R C 0.032 176.327 176.300 -0.008 0.000 0.961 1639 R CA -0.097 55.977 56.100 -0.044 0.000 1.086 1639 R CB 0.042 30.310 30.300 -0.052 0.000 1.186 1639 R HN 0.415 nan 8.270 nan 0.000 0.537 1640 K N 1.762 122.166 120.400 0.006 0.000 2.518 1640 K HA 0.069 4.388 4.320 -0.001 0.000 0.244 1640 K C 0.012 176.654 176.600 0.072 0.000 1.232 1640 K CA -0.024 56.299 56.287 0.060 0.000 1.189 1640 K CB 0.595 33.186 32.500 0.153 0.000 1.737 1640 K HN 0.081 nan 8.250 nan 0.000 0.333 1641 T N -2.167 112.419 114.554 0.052 0.000 2.938 1641 T HA 0.453 4.802 4.350 -0.001 0.000 0.285 1641 T C -0.114 174.624 174.700 0.062 0.000 1.028 1641 T CA -1.111 61.026 62.100 0.061 0.000 1.005 1641 T CB 1.190 70.090 68.868 0.053 0.000 1.157 1641 T HN -0.064 nan 8.240 nan 0.000 0.550 1642 L N 2.266 123.528 121.223 0.064 0.000 2.325 1642 L HA 0.485 4.824 4.340 -0.001 0.000 0.279 1642 L C -2.093 174.795 176.870 0.030 0.000 1.054 1642 L CA -2.558 52.305 54.840 0.039 0.000 0.804 1642 L CB 0.669 42.739 42.059 0.018 0.000 1.200 1642 L HN 0.590 nan 8.230 nan 0.000 0.436 1643 P HA 0.130 nan 4.420 nan 0.000 0.261 1643 P C 0.706 178.018 177.300 0.020 0.000 1.203 1643 P CA 0.608 63.724 63.100 0.026 0.000 0.767 1643 P CB 0.681 32.392 31.700 0.019 0.000 0.785 1644 G N 2.989 111.811 108.800 0.037 0.000 2.213 1644 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.236 1644 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.236 1644 G C 0.479 175.374 174.900 -0.008 0.000 0.991 1644 G CA 0.060 45.174 45.100 0.022 0.000 0.629 1644 G HN 0.491 nan 8.290 nan 0.000 0.517 1645 L N 0.055 121.279 121.223 0.001 0.000 2.858 1645 L HA 0.381 4.720 4.340 -0.001 0.000 0.251 1645 L C 2.288 179.170 176.870 0.020 0.000 1.149 1645 L CA 0.350 55.185 54.840 -0.009 0.000 0.955 1645 L CB 0.141 42.196 42.059 -0.008 0.000 1.289 1645 L HN 0.238 nan 8.230 nan 0.000 0.542 1646 R N 1.696 122.227 120.500 0.051 0.000 2.112 1646 R HA -0.244 4.095 4.340 -0.001 0.000 0.242 1646 R C 2.264 178.607 176.300 0.070 0.000 1.137 1646 R CA 2.116 58.265 56.100 0.082 0.000 0.944 1646 R CB -0.191 30.186 30.300 0.128 0.000 0.857 1646 R HN 0.340 nan 8.270 nan 0.000 0.435 1647 A N 0.772 123.601 122.820 0.014 0.000 1.940 1647 A HA -0.125 4.195 4.320 -0.001 0.000 0.219 1647 A C 2.234 179.772 177.584 -0.077 0.000 1.176 1647 A CA 1.410 53.386 52.037 -0.102 0.000 0.631 1647 A CB -0.469 18.127 19.000 -0.673 0.000 0.814 1647 A HN 0.388 nan 8.150 nan 0.000 0.446 1648 L N -1.180 119.995 121.223 -0.080 0.000 2.044 1648 L HA -0.199 4.140 4.340 -0.001 0.000 0.205 1648 L C 2.895 179.837 176.870 0.121 0.000 1.075 1648 L CA 1.379 56.226 54.840 0.013 0.000 0.747 1648 L CB -0.667 41.379 42.059 -0.022 0.000 0.903 1648 L HN 0.471 nan 8.230 nan 0.000 0.435 1649 Q N -0.033 119.821 119.800 0.090 0.000 2.124 1649 Q HA -0.242 4.098 4.340 -0.001 0.000 0.202 1649 Q C 2.175 178.201 176.000 0.043 0.000 0.977 1649 Q CA 1.377 57.225 55.803 0.075 0.000 0.850 1649 Q CB -0.036 28.751 28.738 0.082 0.000 0.901 1649 Q HN 0.209 nan 8.270 nan 0.000 0.429 1650 K N 0.177 120.614 120.400 0.062 0.000 2.097 1650 K HA -0.178 4.141 4.320 -0.001 0.000 0.206 1650 K C 1.741 178.372 176.600 0.051 0.000 1.049 1650 K CA 1.094 57.413 56.287 0.052 0.000 0.933 1650 K CB -0.388 32.164 32.500 0.086 0.000 0.717 1650 K HN 0.260 nan 8.250 nan 0.000 0.442 1651 Y N 0.339 120.627 120.300 -0.020 0.000 2.145 1651 Y HA -0.171 4.378 4.550 -0.001 0.000 0.286 1651 Y C 1.896 177.782 175.900 -0.023 0.000 1.145 1651 Y CA 1.648 59.734 58.100 -0.024 0.000 1.148 1651 Y CB -0.631 37.802 38.460 -0.045 0.000 0.981 1651 Y HN 0.040 nan 8.280 nan 0.000 0.507 1652 A N 0.193 122.910 122.820 -0.171 0.000 1.933 1652 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 1652 A C 2.393 179.852 177.584 -0.209 0.000 1.175 1652 A CA 2.288 54.184 52.037 -0.234 0.000 0.628 1652 A CB -1.655 17.310 19.000 -0.058 0.000 0.814 1652 A HN 0.675 nan 8.150 nan 0.000 0.444 1653 V N -1.588 118.241 119.914 -0.142 0.000 2.427 1653 V HA -0.159 3.960 4.120 -0.001 0.000 0.248 1653 V C 2.193 178.209 176.094 -0.129 0.000 1.051 1653 V CA 2.181 64.409 62.300 -0.120 0.000 1.048 1653 V CB -0.834 30.929 31.823 -0.100 0.000 0.666 1653 V HN 0.525 nan 8.190 nan 0.000 0.456 1654 R N 0.146 120.553 120.500 -0.156 0.000 2.073 1654 R HA -0.124 4.216 4.340 -0.001 0.000 0.234 1654 R C 2.470 178.660 176.300 -0.183 0.000 1.134 1654 R CA 2.222 58.235 56.100 -0.145 0.000 0.952 1654 R CB -0.741 29.475 30.300 -0.140 0.000 0.850 1654 R HN 0.650 nan 8.270 nan 0.000 0.433 1655 T N -0.820 113.544 114.554 -0.315 0.000 2.759 1655 T HA -0.125 4.224 4.350 -0.001 0.000 0.269 1655 T C 1.573 176.184 174.700 -0.148 0.000 1.042 1655 T CA 1.436 63.365 62.100 -0.284 0.000 1.140 1655 T CB -0.263 68.348 68.868 -0.429 0.000 0.864 1655 T HN 0.512 nan 8.240 nan 0.000 0.455 1656 G N -0.404 108.323 108.800 -0.123 0.000 2.813 1656 G HA2 0.385 4.344 3.960 -0.001 0.000 0.209 1656 G HA3 0.385 4.344 3.960 -0.001 0.000 0.209 1656 G C 1.083 175.961 174.900 -0.035 0.000 1.150 1656 G CA 0.469 45.530 45.100 -0.064 0.000 0.785 1656 G HN 0.765 nan 8.290 nan 0.000 0.535 1657 G N -1.664 107.109 108.800 -0.045 0.000 2.205 1657 G HA2 0.043 4.002 3.960 -0.001 0.000 0.180 1657 G HA3 0.043 4.002 3.960 -0.001 0.000 0.180 1657 G C 0.685 175.580 174.900 -0.008 0.000 1.004 1657 G CA 0.111 45.200 45.100 -0.018 0.000 0.670 1657 G HN 0.903 nan 8.290 nan 0.000 0.496 1658 G N -0.765 108.020 108.800 -0.025 0.000 2.557 1658 G HA2 0.722 4.682 3.960 -0.001 0.000 0.292 1658 G HA3 0.722 4.682 3.960 -0.001 0.000 0.292 1658 G C 0.081 174.966 174.900 -0.025 0.000 1.237 1658 G CA 0.178 45.266 45.100 -0.021 0.000 0.978 1658 G HN 1.567 nan 8.290 nan 0.000 0.498 1659 V N -0.822 119.078 119.914 -0.024 0.000 2.540 1659 V HA 0.531 4.650 4.120 -0.001 0.000 0.302 1659 V C -0.539 175.515 176.094 -0.067 0.000 1.035 1659 V CA -1.471 60.809 62.300 -0.033 0.000 0.873 1659 V CB 1.496 33.315 31.823 -0.006 0.000 0.992 1659 V HN 0.568 nan 8.190 nan 0.000 0.428 1660 N N 3.031 121.703 118.700 -0.047 0.000 2.453 1660 N HA 0.252 4.991 4.740 -0.001 0.000 0.253 1660 N C -0.198 175.279 175.510 -0.055 0.000 1.252 1660 N CA 0.228 53.261 53.050 -0.028 0.000 0.917 1660 N CB 0.500 38.992 38.487 0.009 0.000 1.117 1660 N HN 1.029 nan 8.380 nan 0.000 0.442 1661 H N -0.148 118.857 119.070 -0.108 0.000 3.039 1661 H HA 0.331 4.887 4.556 -0.001 0.000 0.234 1661 H C 0.346 175.628 175.328 -0.076 0.000 1.570 1661 H CA -0.858 55.112 56.048 -0.131 0.000 1.674 1661 H CB 0.858 30.539 29.762 -0.134 0.000 1.538 1661 H HN 0.502 nan 8.280 nan 0.000 0.963 1662 R N 0.574 121.254 120.500 0.301 0.000 2.679 1662 R HA 0.081 4.420 4.340 -0.001 0.000 0.269 1662 R C 0.058 176.399 176.300 0.068 0.000 1.076 1662 R CA -0.118 56.057 56.100 0.125 0.000 1.160 1662 R CB 0.366 30.732 30.300 0.111 0.000 1.054 1662 R HN 0.528 nan 8.270 nan 0.000 0.507 1663 L N 0.322 121.576 121.223 0.052 0.000 2.529 1663 L HA 0.290 4.629 4.340 -0.001 0.000 0.223 1663 L C 1.026 177.920 176.870 0.040 0.000 1.113 1663 L CA 0.585 55.461 54.840 0.061 0.000 0.861 1663 L CB 0.130 42.237 42.059 0.081 0.000 1.012 1663 L HN 1.009 nan 8.230 nan 0.000 0.461 1664 G N -1.801 107.007 108.800 0.014 0.000 2.634 1664 G HA2 0.310 4.269 3.960 -0.001 0.000 0.309 1664 G HA3 0.310 4.269 3.960 -0.001 0.000 0.309 1664 G C -0.466 174.430 174.900 -0.007 0.000 1.299 1664 G CA -0.610 44.490 45.100 0.001 0.000 0.798 1664 G HN -0.315 nan 8.290 nan 0.000 0.490 1665 L N 0.821 122.038 121.223 -0.010 0.000 2.131 1665 L HA 0.216 4.556 4.340 -0.001 0.000 0.206 1665 L C 2.789 179.649 176.870 -0.016 0.000 1.087 1665 L CA 2.509 57.343 54.840 -0.008 0.000 0.767 1665 L CB -0.890 41.167 42.059 -0.003 0.000 0.917 1665 L HN 0.712 nan 8.230 nan 0.000 0.441 1666 G N -2.083 106.703 108.800 -0.023 0.000 2.838 1666 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.210 1666 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.210 1666 G C 1.309 176.193 174.900 -0.026 0.000 1.153 1666 G CA 0.159 45.242 45.100 -0.028 0.000 0.778 1666 G HN 0.289 nan 8.290 nan 0.000 0.539 1667 D N 0.836 121.224 120.400 -0.021 0.000 2.116 1667 D HA 0.000 4.640 4.640 -0.001 0.000 0.193 1667 D C 1.105 177.401 176.300 -0.007 0.000 0.998 1667 D CA 1.493 55.484 54.000 -0.014 0.000 0.836 1667 D CB 0.178 40.978 40.800 0.001 0.000 0.951 1667 D HN 0.316 nan 8.370 nan 0.000 0.449 1668 A N -1.313 121.506 122.820 -0.001 0.000 2.586 1668 A HA 0.633 4.953 4.320 -0.001 0.000 0.290 1668 A C -1.408 176.174 177.584 -0.003 0.000 1.086 1668 A CA -0.037 52.001 52.037 0.001 0.000 0.665 1668 A CB 1.166 20.177 19.000 0.019 0.000 1.279 1668 A HN 0.155 nan 8.150 nan 0.000 0.423 1669 A N 0.073 122.887 122.820 -0.010 0.000 2.306 1669 A HA 0.747 5.066 4.320 -0.001 0.000 0.314 1669 A C -0.752 176.829 177.584 -0.006 0.000 1.164 1669 A CA -0.316 51.704 52.037 -0.027 0.000 0.822 1669 A CB 0.553 19.526 19.000 -0.045 0.000 1.130 1669 A HN 1.412 nan 8.150 nan 0.000 0.496 1670 L N 3.655 124.872 121.223 -0.010 0.000 2.504 1670 L HA 0.427 4.766 4.340 -0.001 0.000 0.265 1670 L C -1.256 175.645 176.870 0.053 0.000 0.975 1670 L CA -0.452 54.403 54.840 0.026 0.000 0.864 1670 L CB 1.027 43.102 42.059 0.026 0.000 1.212 1670 L HN 0.702 nan 8.230 nan 0.000 0.416 1671 I N 4.788 125.387 120.570 0.049 0.000 2.363 1671 I HA 0.151 4.320 4.170 -0.001 0.000 0.292 1671 I C 0.289 176.520 176.117 0.190 0.000 1.075 1671 I CA 0.026 61.399 61.300 0.120 0.000 1.333 1671 I CB 0.460 38.486 38.000 0.043 0.000 1.415 1671 I HN 0.533 nan 8.210 nan 0.000 0.502 1672 K N 4.310 124.916 120.400 0.344 0.000 2.419 1672 K HA 0.171 4.491 4.320 -0.001 0.000 0.246 1672 K C 0.935 177.547 176.600 0.021 0.000 1.037 1672 K CA -0.704 55.640 56.287 0.095 0.000 0.982 1672 K CB 0.720 33.209 32.500 -0.019 0.000 1.283 1672 K HN 0.551 nan 8.250 nan 0.000 0.500 1673 D N 0.261 120.643 120.400 -0.030 0.000 2.144 1673 D HA -0.201 4.439 4.640 -0.001 0.000 0.199 1673 D C 0.772 177.033 176.300 -0.065 0.000 0.984 1673 D CA 1.477 55.461 54.000 -0.027 0.000 0.834 1673 D CB -0.332 40.455 40.800 -0.022 0.000 0.955 1673 D HN 0.309 nan 8.370 nan 0.000 0.465 1674 N N 0.161 118.763 118.700 -0.163 0.000 2.459 1674 N HA -0.095 4.644 4.740 -0.001 0.000 0.181 1674 N C 1.550 176.943 175.510 -0.196 0.000 1.046 1674 N CA 0.610 53.544 53.050 -0.193 0.000 0.904 1674 N CB -0.200 38.145 38.487 -0.238 0.000 0.964 1674 N HN 0.476 nan 8.380 nan 0.000 0.444 1675 H N 0.003 119.072 119.070 -0.002 0.000 2.344 1675 H HA 0.147 4.702 4.556 -0.001 0.000 0.307 1675 H C 2.212 177.541 175.328 0.002 0.000 1.057 1675 H CA 0.449 56.496 56.048 -0.001 0.000 1.373 1675 H CB -0.446 29.314 29.762 -0.003 0.000 1.421 1675 H HN -0.104 nan 8.280 nan 0.000 0.532 1676 V N 1.842 121.837 119.914 0.134 0.000 2.317 1676 V HA -0.331 3.788 4.120 -0.001 0.000 0.251 1676 V C 2.815 178.939 176.094 0.050 0.000 1.065 1676 V CA 1.849 64.195 62.300 0.076 0.000 1.049 1676 V CB -1.124 30.732 31.823 0.056 0.000 0.651 1676 V HN 0.482 nan 8.190 nan 0.000 0.450 1677 A N -0.158 122.683 122.820 0.034 0.000 1.865 1677 A HA -0.159 4.160 4.320 -0.001 0.000 0.217 1677 A C 2.451 180.050 177.584 0.026 0.000 1.191 1677 A CA 2.396 54.445 52.037 0.020 0.000 0.623 1677 A CB -0.925 18.077 19.000 0.004 0.000 0.826 1677 A HN 0.620 nan 8.150 nan 0.000 0.444 1678 A N -0.383 122.458 122.820 0.036 0.000 1.902 1678 A HA 0.186 4.506 4.320 -0.001 0.000 0.217 1678 A C 2.403 180.010 177.584 0.038 0.000 1.181 1678 A CA 2.052 54.112 52.037 0.039 0.000 0.623 1678 A CB -0.920 18.115 19.000 0.058 0.000 0.818 1678 A HN 1.156 nan 8.150 nan 0.000 0.443 1679 A N -2.122 120.726 122.820 0.047 0.000 2.167 1679 A HA 0.368 4.687 4.320 -0.001 0.000 0.214 1679 A C 2.112 179.712 177.584 0.027 0.000 1.151 1679 A CA 1.342 53.400 52.037 0.034 0.000 0.735 1679 A CB -0.949 18.073 19.000 0.037 0.000 0.802 1679 A HN 1.875 nan 8.150 nan 0.000 0.467 1680 G N -1.481 107.335 108.800 0.027 0.000 2.328 1680 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.256 1680 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.256 1680 G C 0.446 175.359 174.900 0.022 0.000 1.014 1680 G CA 1.060 46.173 45.100 0.021 0.000 0.620 1680 G HN 1.841 nan 8.290 nan 0.000 0.530 1681 S N -1.985 113.730 115.700 0.025 0.000 2.547 1681 S HA 0.573 5.042 4.470 -0.001 0.000 0.270 1681 S C 1.212 175.830 174.600 0.029 0.000 1.150 1681 S CA 0.397 58.612 58.200 0.025 0.000 0.850 1681 S CB 1.553 64.765 63.200 0.020 0.000 1.118 1681 S HN 0.956 nan 8.310 nan 0.000 0.461 1682 V N 3.275 123.207 119.914 0.031 0.000 2.261 1682 V HA -0.082 4.037 4.120 -0.001 0.000 0.246 1682 V C 2.367 178.477 176.094 0.026 0.000 1.047 1682 V CA 2.108 64.428 62.300 0.033 0.000 1.015 1682 V CB -0.995 30.850 31.823 0.036 0.000 0.642 1682 V HN 0.742 nan 8.190 nan 0.000 0.446 1683 V N 0.359 120.286 119.914 0.022 0.000 2.407 1683 V HA -0.233 3.886 4.120 -0.001 0.000 0.248 1683 V C 2.335 178.437 176.094 0.013 0.000 1.055 1683 V CA 2.079 64.389 62.300 0.017 0.000 1.049 1683 V CB -0.749 31.084 31.823 0.016 0.000 0.662 1683 V HN 0.532 nan 8.190 nan 0.000 0.455 1684 D N 0.690 121.098 120.400 0.014 0.000 2.078 1684 D HA -0.138 4.501 4.640 -0.001 0.000 0.193 1684 D C 2.295 178.599 176.300 0.008 0.000 0.990 1684 D CA 1.819 55.826 54.000 0.011 0.000 0.827 1684 D CB -0.493 40.315 40.800 0.014 0.000 0.975 1684 D HN 0.403 nan 8.370 nan 0.000 0.451 1685 A N 0.994 123.822 122.820 0.013 0.000 1.917 1685 A HA -0.180 4.139 4.320 -0.001 0.000 0.219 1685 A C 2.356 179.935 177.584 -0.008 0.000 1.182 1685 A CA 1.227 53.268 52.037 0.007 0.000 0.633 1685 A CB -0.964 18.052 19.000 0.027 0.000 0.819 1685 A HN 0.288 nan 8.150 nan 0.000 0.448 1686 L N -1.163 120.060 121.223 0.001 0.000 1.994 1686 L HA -0.206 4.133 4.340 -0.001 0.000 0.208 1686 L C 2.838 179.704 176.870 -0.007 0.000 1.071 1686 L CA 1.390 56.228 54.840 -0.004 0.000 0.745 1686 L CB -0.289 41.773 42.059 0.005 0.000 0.892 1686 L HN 0.289 nan 8.230 nan 0.000 0.431 1687 R N -0.031 120.468 120.500 -0.003 0.000 2.091 1687 R HA -0.152 4.187 4.340 -0.001 0.000 0.238 1687 R C 2.194 178.489 176.300 -0.009 0.000 1.136 1687 R CA 1.488 57.586 56.100 -0.004 0.000 0.959 1687 R CB -1.200 29.100 30.300 -0.000 0.000 0.856 1687 R HN 0.506 nan 8.270 nan 0.000 0.437 1688 A N 0.578 123.392 122.820 -0.011 0.000 1.883 1688 A HA -0.131 4.188 4.320 -0.001 0.000 0.217 1688 A C 2.499 180.068 177.584 -0.026 0.000 1.186 1688 A CA 1.860 53.887 52.037 -0.016 0.000 0.624 1688 A CB -0.615 18.375 19.000 -0.016 0.000 0.822 1688 A HN 0.128 nan 8.150 nan 0.000 0.444 1689 V N 0.166 120.059 119.914 -0.034 0.000 2.427 1689 V HA -0.196 3.923 4.120 -0.001 0.000 0.248 1689 V C 2.654 178.729 176.094 -0.031 0.000 1.051 1689 V CA 1.771 64.044 62.300 -0.044 0.000 1.048 1689 V CB -0.811 30.976 31.823 -0.059 0.000 0.666 1689 V HN 0.458 nan 8.190 nan 0.000 0.456 1690 R N 0.862 121.349 120.500 -0.022 0.000 2.091 1690 R HA -0.124 4.215 4.340 -0.001 0.000 0.238 1690 R C 2.060 178.351 176.300 -0.015 0.000 1.136 1690 R CA 1.510 57.600 56.100 -0.016 0.000 0.959 1690 R CB -0.861 29.433 30.300 -0.010 0.000 0.856 1690 R HN 0.564 nan 8.270 nan 0.000 0.437 1691 N N 0.803 119.494 118.700 -0.014 0.000 2.216 1691 N HA -0.082 4.657 4.740 -0.001 0.000 0.183 1691 N C 1.659 177.159 175.510 -0.015 0.000 1.017 1691 N CA 1.414 54.456 53.050 -0.013 0.000 0.861 1691 N CB -0.299 38.181 38.487 -0.011 0.000 0.986 1691 N HN 0.204 nan 8.380 nan 0.000 0.428 1692 A N 0.033 122.841 122.820 -0.020 0.000 1.898 1692 A HA 0.433 4.752 4.320 -0.001 0.000 0.214 1692 A C 1.089 178.659 177.584 -0.023 0.000 1.183 1692 A CA 1.242 53.265 52.037 -0.023 0.000 0.622 1692 A CB -0.026 18.956 19.000 -0.029 0.000 0.824 1692 A HN 0.259 nan 8.150 nan 0.000 0.444 1693 A N -0.548 122.257 122.820 -0.025 0.000 3.266 1693 A HA 0.564 4.883 4.320 -0.001 0.000 0.310 1693 A C -1.761 175.811 177.584 -0.020 0.000 1.066 1693 A CA -0.679 51.344 52.037 -0.024 0.000 0.839 1693 A CB 0.482 19.465 19.000 -0.029 0.000 1.192 1693 A HN 0.182 nan 8.150 nan 0.000 0.496 1694 P HA -0.125 nan 4.420 nan 0.000 0.226 1694 P C 0.382 177.675 177.300 -0.012 0.000 1.153 1694 P CA 1.255 64.348 63.100 -0.013 0.000 0.777 1694 P CB 0.258 31.951 31.700 -0.011 0.000 0.794 1695 D N -1.096 119.297 120.400 -0.013 0.000 2.333 1695 D HA -0.003 4.636 4.640 -0.001 0.000 0.208 1695 D C 0.800 177.092 176.300 -0.012 0.000 0.984 1695 D CA -0.073 53.920 54.000 -0.012 0.000 0.873 1695 D CB -0.449 40.343 40.800 -0.012 0.000 0.935 1695 D HN 0.126 nan 8.370 nan 0.000 0.521 1696 L N 1.810 123.024 121.223 -0.015 0.000 2.371 1696 L HA 0.350 4.689 4.340 -0.001 0.000 0.272 1696 L C -2.283 174.578 176.870 -0.014 0.000 1.124 1696 L CA -1.816 53.014 54.840 -0.016 0.000 0.816 1696 L CB 0.895 42.942 42.059 -0.020 0.000 1.129 1696 L HN -0.259 nan 8.230 nan 0.000 0.448 1697 P HA 0.114 nan 4.420 nan 0.000 0.271 1697 P C -1.276 176.019 177.300 -0.008 0.000 1.216 1697 P CA -0.276 62.817 63.100 -0.011 0.000 0.776 1697 P CB 0.591 32.282 31.700 -0.015 0.000 0.881 1698 C N 3.507 122.804 119.300 -0.006 0.000 2.396 1698 C HA 0.496 4.955 4.460 -0.001 0.000 0.321 1698 C C -0.755 174.239 174.990 0.006 0.000 1.233 1698 C CA -0.209 58.807 59.018 -0.003 0.000 1.440 1698 C CB -0.116 27.619 27.740 -0.008 0.000 2.110 1698 C HN 0.576 nan 8.230 nan 0.000 0.473 1699 E N 2.756 122.966 120.200 0.017 0.000 2.222 1699 E HA 0.600 4.949 4.350 -0.001 0.000 0.267 1699 E C -1.094 175.521 176.600 0.025 0.000 0.884 1699 E CA -0.394 56.022 56.400 0.028 0.000 0.764 1699 E CB 2.174 31.912 29.700 0.064 0.000 1.169 1699 E HN 0.520 nan 8.360 nan 0.000 0.413 1700 V N 2.310 122.235 119.914 0.019 0.000 2.495 1700 V HA 0.325 4.444 4.120 -0.001 0.000 0.298 1700 V C -0.915 175.188 176.094 0.015 0.000 1.031 1700 V CA -0.559 61.754 62.300 0.021 0.000 0.871 1700 V CB 1.665 33.500 31.823 0.019 0.000 0.988 1700 V HN 0.760 nan 8.190 nan 0.000 0.432 1701 E N 5.394 125.608 120.200 0.024 0.000 2.167 1701 E HA 0.553 4.902 4.350 -0.001 0.000 0.284 1701 E C -0.982 175.632 176.600 0.023 0.000 1.016 1701 E CA -0.518 55.888 56.400 0.011 0.000 0.817 1701 E CB 1.722 31.432 29.700 0.018 0.000 1.080 1701 E HN 0.741 nan 8.360 nan 0.000 0.397 1702 V N 1.871 121.792 119.914 0.011 0.000 2.715 1702 V HA 0.439 4.559 4.120 -0.001 0.000 0.310 1702 V C -0.300 175.887 176.094 0.155 0.000 1.054 1702 V CA -0.682 61.663 62.300 0.074 0.000 0.928 1702 V CB 1.810 33.688 31.823 0.093 0.000 1.007 1702 V HN 0.758 nan 8.190 nan 0.000 0.437 1703 D N 1.214 121.741 120.400 0.212 0.000 2.479 1703 D HA 0.292 4.931 4.640 -0.001 0.000 0.218 1703 D C 0.415 176.864 176.300 0.248 0.000 1.177 1703 D CA 0.517 54.690 54.000 0.289 0.000 0.830 1703 D CB 0.307 41.189 40.800 0.138 0.000 1.014 1703 D HN 0.968 nan 8.370 nan 0.000 0.503 1704 S N -1.333 114.509 115.700 0.236 0.000 2.570 1704 S HA 0.371 4.840 4.470 -0.001 0.000 0.270 1704 S C 0.340 174.982 174.600 0.070 0.000 1.149 1704 S CA -0.921 57.262 58.200 -0.028 0.000 0.837 1704 S CB 0.835 64.024 63.200 -0.019 0.000 1.124 1704 S HN -0.012 nan 8.310 nan 0.000 0.465 1705 L N 0.825 121.980 121.223 -0.113 0.000 2.275 1705 L HA -0.019 4.320 4.340 -0.001 0.000 0.215 1705 L C 2.219 179.121 176.870 0.054 0.000 1.119 1705 L CA 1.181 56.029 54.840 0.013 0.000 0.790 1705 L CB -0.468 41.547 42.059 -0.073 0.000 0.919 1705 L HN 0.719 nan 8.230 nan 0.000 0.443 1706 E N -0.018 120.201 120.200 0.031 0.000 2.015 1706 E HA -0.224 4.126 4.350 -0.001 0.000 0.191 1706 E C 2.188 178.820 176.600 0.055 0.000 0.991 1706 E CA 1.152 57.575 56.400 0.038 0.000 0.802 1706 E CB -0.220 29.496 29.700 0.026 0.000 0.759 1706 E HN 0.415 nan 8.360 nan 0.000 0.447 1707 Q N -0.099 119.742 119.800 0.068 0.000 2.135 1707 Q HA -0.169 4.171 4.340 -0.001 0.000 0.204 1707 Q C 2.285 178.333 176.000 0.079 0.000 0.981 1707 Q CA 1.169 57.016 55.803 0.073 0.000 0.856 1707 Q CB -0.268 28.521 28.738 0.086 0.000 0.902 1707 Q HN 0.202 nan 8.270 nan 0.000 0.425 1708 L N 1.323 122.614 121.223 0.113 0.000 2.012 1708 L HA -0.225 4.114 4.340 -0.001 0.000 0.210 1708 L C 1.499 178.411 176.870 0.070 0.000 1.073 1708 L CA 1.979 56.881 54.840 0.104 0.000 0.748 1708 L CB -0.405 41.751 42.059 0.162 0.000 0.891 1708 L HN 0.094 nan 8.230 nan 0.000 0.431 1709 D N 0.004 120.443 120.400 0.065 0.000 2.144 1709 D HA -0.157 4.482 4.640 -0.001 0.000 0.199 1709 D C 2.207 178.531 176.300 0.040 0.000 0.984 1709 D CA 1.510 55.539 54.000 0.049 0.000 0.834 1709 D CB -0.246 40.581 40.800 0.045 0.000 0.955 1709 D HN 0.547 nan 8.370 nan 0.000 0.465 1710 A N 0.674 123.518 122.820 0.040 0.000 1.933 1710 A HA -0.116 4.203 4.320 -0.001 0.000 0.218 1710 A C 2.364 179.966 177.584 0.029 0.000 1.175 1710 A CA 1.911 53.968 52.037 0.033 0.000 0.628 1710 A CB -0.469 18.552 19.000 0.034 0.000 0.814 1710 A HN 0.257 nan 8.150 nan 0.000 0.444 1711 V N -3.334 116.600 119.914 0.032 0.000 3.471 1711 V HA 0.152 4.272 4.120 -0.001 0.000 0.258 1711 V C 2.039 178.147 176.094 0.023 0.000 1.192 1711 V CA 0.728 63.043 62.300 0.026 0.000 1.116 1711 V CB -0.620 31.219 31.823 0.027 0.000 0.792 1711 V HN 0.373 nan 8.190 nan 0.000 0.459 1712 L N 0.948 122.187 121.223 0.026 0.000 2.042 1712 L HA -0.046 4.293 4.340 -0.001 0.000 0.210 1712 L C 0.444 177.325 176.870 0.018 0.000 1.076 1712 L CA 2.274 57.127 54.840 0.023 0.000 0.749 1712 L CB -1.513 40.562 42.059 0.027 0.000 0.893 1712 L HN 0.378 nan 8.230 nan 0.000 0.432 1713 P HA -0.156 nan 4.420 nan 0.000 0.221 1713 P C 0.914 178.222 177.300 0.013 0.000 1.150 1713 P CA 1.152 64.261 63.100 0.015 0.000 0.800 1713 P CB -0.018 31.691 31.700 0.016 0.000 0.787 1714 E N 0.445 120.653 120.200 0.013 0.000 2.418 1714 E HA -0.057 4.293 4.350 -0.001 0.000 0.197 1714 E C 0.386 176.991 176.600 0.009 0.000 1.026 1714 E CA 0.197 56.604 56.400 0.010 0.000 0.862 1714 E CB -0.536 29.171 29.700 0.011 0.000 0.799 1714 E HN 0.328 nan 8.360 nan 0.000 0.518 1715 K N 1.056 121.462 120.400 0.010 0.000 3.653 1715 K HA -0.145 4.175 4.320 -0.001 0.000 0.275 1715 K C -2.363 174.241 176.600 0.007 0.000 0.962 1715 K CA 0.229 56.521 56.287 0.008 0.000 0.773 1715 K CB -1.128 31.376 32.500 0.007 0.000 1.463 1715 K HN 0.236 nan 8.250 nan 0.000 0.450 1716 P HA 0.071 nan 4.420 nan 0.000 0.276 1716 P C 0.428 177.733 177.300 0.009 0.000 1.252 1716 P CA -0.139 62.965 63.100 0.007 0.000 0.802 1716 P CB 0.888 32.593 31.700 0.008 0.000 1.035 1717 E N -0.001 120.204 120.200 0.008 0.000 2.038 1717 E HA -0.055 4.294 4.350 -0.001 0.000 0.195 1717 E C 0.386 176.999 176.600 0.021 0.000 1.000 1717 E CA 1.500 57.907 56.400 0.012 0.000 0.803 1717 E CB -0.219 29.486 29.700 0.007 0.000 0.750 1717 E HN 0.364 nan 8.360 nan 0.000 0.448 1718 L N -0.567 120.668 121.223 0.020 0.000 2.424 1718 L HA 0.484 4.824 4.340 -0.001 0.000 0.258 1718 L C -1.102 175.779 176.870 0.017 0.000 0.995 1718 L CA -0.636 54.222 54.840 0.030 0.000 0.821 1718 L CB 2.168 44.249 42.059 0.036 0.000 1.383 1718 L HN -0.094 nan 8.230 nan 0.000 0.410 1719 I N 2.537 123.113 120.570 0.009 0.000 2.545 1719 I HA 0.410 4.579 4.170 -0.001 0.000 0.292 1719 I C -1.010 175.085 176.117 -0.036 0.000 1.040 1719 I CA -0.602 60.689 61.300 -0.015 0.000 1.068 1719 I CB 2.364 40.347 38.000 -0.029 0.000 1.251 1719 I HN 0.361 nan 8.210 nan 0.000 0.424 1720 L N 7.028 128.222 121.223 -0.049 0.000 2.265 1720 L HA 0.491 4.831 4.340 -0.001 0.000 0.289 1720 L C -0.904 175.857 176.870 -0.182 0.000 1.033 1720 L CA -0.502 54.294 54.840 -0.072 0.000 0.814 1720 L CB 0.755 42.801 42.059 -0.022 0.000 1.203 1720 L HN 0.514 nan 8.230 nan 0.000 0.423 1721 L N 4.820 125.854 121.223 -0.315 0.000 2.295 1721 L HA 0.239 4.578 4.340 -0.001 0.000 0.288 1721 L C -0.311 176.317 176.870 -0.404 0.000 1.079 1721 L CA -0.301 54.116 54.840 -0.705 0.000 0.830 1721 L CB 0.437 41.925 42.059 -0.951 0.000 1.200 1721 L HN 0.587 nan 8.230 nan 0.000 0.438 1722 D N 4.877 125.157 120.400 -0.200 0.000 2.365 1722 D HA 0.054 4.693 4.640 -0.001 0.000 0.237 1722 D C 0.411 176.813 176.300 0.170 0.000 1.190 1722 D CA 0.102 54.105 54.000 0.005 0.000 0.867 1722 D CB 0.257 41.079 40.800 0.037 0.000 1.050 1722 D HN 0.427 nan 8.370 nan 0.000 0.491 1723 N N 3.183 121.956 118.700 0.122 0.000 2.738 1723 N HA -0.223 4.517 4.740 -0.001 0.000 0.249 1723 N C -0.934 174.763 175.510 0.312 0.000 1.047 1723 N CA 0.443 53.592 53.050 0.166 0.000 0.707 1723 N CB -0.908 37.649 38.487 0.117 0.000 0.937 1723 N HN 0.303 nan 8.380 nan 0.000 0.545 1724 F N 0.953 120.913 119.950 0.017 0.000 2.385 1724 F HA 0.520 5.046 4.527 -0.001 0.000 0.336 1724 F C 1.296 177.125 175.800 0.048 0.000 1.100 1724 F CA -0.938 57.046 58.000 -0.026 0.000 1.116 1724 F CB 0.821 39.796 39.000 -0.043 0.000 1.166 1724 F HN 0.131 nan 8.300 nan 0.000 0.511 1725 A N 2.636 125.454 122.820 -0.003 0.000 2.327 1725 A HA 0.372 4.691 4.320 -0.001 0.000 0.255 1725 A C 1.141 178.668 177.584 -0.095 0.000 1.099 1725 A CA -0.390 51.634 52.037 -0.022 0.000 0.801 1725 A CB 0.101 19.015 19.000 -0.144 0.000 1.062 1725 A HN 0.662 nan 8.150 nan 0.000 0.496 1726 V N 0.773 120.599 119.914 -0.147 0.000 2.343 1726 V HA -0.237 3.882 4.120 -0.001 0.000 0.247 1726 V C 2.274 178.322 176.094 -0.077 0.000 1.051 1726 V CA 2.292 64.426 62.300 -0.278 0.000 1.036 1726 V CB -1.183 30.445 31.823 -0.324 0.000 0.654 1726 V HN 1.057 nan 8.190 nan 0.000 0.451 1727 W N 0.661 121.936 121.300 -0.041 0.000 2.402 1727 W HA -0.151 4.509 4.660 -0.000 0.000 0.286 1727 W C 1.771 178.302 176.519 0.019 0.000 1.221 1727 W CA 1.053 58.388 57.345 -0.016 0.000 1.257 1727 W CB -0.850 28.596 29.460 -0.023 0.000 1.120 1727 W HN 0.289 nan 8.180 nan 0.000 0.551 1728 Q N 0.738 119.982 119.800 -0.926 0.000 2.245 1728 Q HA -0.077 4.262 4.340 -0.001 0.000 0.201 1728 Q C 2.319 178.274 176.000 -0.074 0.000 0.955 1728 Q CA 2.212 57.520 55.803 -0.825 0.000 0.870 1728 Q CB -0.229 27.802 28.738 -1.179 0.000 0.945 1728 Q HN 0.161 nan 8.270 nan 0.000 0.461 1729 T N 0.617 115.205 114.554 0.057 0.000 2.777 1729 T HA -0.191 4.158 4.350 -0.001 0.000 0.266 1729 T C 1.721 176.475 174.700 0.091 0.000 1.040 1729 T CA 1.385 63.585 62.100 0.166 0.000 1.141 1729 T CB -0.140 68.827 68.868 0.164 0.000 0.868 1729 T HN 0.167 nan 8.240 nan 0.000 0.444 1730 Q N 1.176 121.011 119.800 0.058 0.000 2.084 1730 Q HA -0.104 4.236 4.340 -0.001 0.000 0.202 1730 Q C 2.256 178.306 176.000 0.083 0.000 0.978 1730 Q CA 1.976 57.819 55.803 0.067 0.000 0.844 1730 Q CB -0.910 27.876 28.738 0.080 0.000 0.898 1730 Q HN 0.468 nan 8.270 nan 0.000 0.426 1731 T N 0.467 115.082 114.554 0.101 0.000 2.684 1731 T HA -0.170 4.180 4.350 -0.001 0.000 0.267 1731 T C 1.777 176.532 174.700 0.092 0.000 1.036 1731 T CA 1.575 63.739 62.100 0.108 0.000 1.148 1731 T CB -0.808 68.131 68.868 0.119 0.000 0.863 1731 T HN 0.485 nan 8.240 nan 0.000 0.436 1732 A N 1.086 123.973 122.820 0.111 0.000 1.892 1732 A HA -0.123 4.196 4.320 -0.001 0.000 0.218 1732 A C 2.610 180.232 177.584 0.063 0.000 1.188 1732 A CA 1.838 53.944 52.037 0.114 0.000 0.631 1732 A CB -1.179 17.909 19.000 0.147 0.000 0.822 1732 A HN 0.373 nan 8.150 nan 0.000 0.447 1733 V N -0.485 119.461 119.914 0.053 0.000 2.427 1733 V HA -0.293 3.827 4.120 -0.001 0.000 0.248 1733 V C 2.614 178.728 176.094 0.033 0.000 1.051 1733 V CA 2.226 64.545 62.300 0.032 0.000 1.048 1733 V CB -0.865 30.975 31.823 0.029 0.000 0.666 1733 V HN 0.643 nan 8.190 nan 0.000 0.456 1734 Q N -0.380 119.447 119.800 0.045 0.000 2.079 1734 Q HA -0.157 4.182 4.340 -0.001 0.000 0.200 1734 Q C 2.517 178.540 176.000 0.039 0.000 0.974 1734 Q CA 1.512 57.340 55.803 0.041 0.000 0.840 1734 Q CB -0.167 28.601 28.738 0.051 0.000 0.898 1734 Q HN 0.566 nan 8.270 nan 0.000 0.430 1735 R N 0.128 120.657 120.500 0.047 0.000 2.096 1735 R HA -0.081 4.259 4.340 -0.001 0.000 0.235 1735 R C 2.382 178.702 176.300 0.033 0.000 1.127 1735 R CA 0.892 57.019 56.100 0.044 0.000 0.968 1735 R CB -0.200 30.132 30.300 0.055 0.000 0.861 1735 R HN 0.089 nan 8.270 nan 0.000 0.440 1736 R N 1.413 121.931 120.500 0.030 0.000 2.066 1736 R HA -0.133 4.207 4.340 -0.001 0.000 0.232 1736 R C 1.117 177.425 176.300 0.014 0.000 1.131 1736 R CA 1.825 57.936 56.100 0.019 0.000 0.955 1736 R CB -0.453 29.854 30.300 0.013 0.000 0.851 1736 R HN 0.126 nan 8.270 nan 0.000 0.432 1737 D N 0.110 120.519 120.400 0.014 0.000 2.182 1737 D HA -0.113 4.527 4.640 -0.001 0.000 0.201 1737 D C 1.860 178.167 176.300 0.011 0.000 0.986 1737 D CA 1.838 55.844 54.000 0.009 0.000 0.847 1737 D CB 0.034 40.840 40.800 0.010 0.000 0.942 1737 D HN 0.420 nan 8.370 nan 0.000 0.467 1738 S N -0.380 115.329 115.700 0.016 0.000 2.421 1738 S HA 0.072 4.541 4.470 -0.001 0.000 0.224 1738 S C 1.868 176.477 174.600 0.015 0.000 1.035 1738 S CA 0.043 58.252 58.200 0.016 0.000 0.953 1738 S CB 0.170 63.382 63.200 0.019 0.000 0.810 1738 S HN 0.134 nan 8.310 nan 0.000 0.497 1739 R N 1.290 121.800 120.500 0.017 0.000 2.146 1739 R HA 0.460 4.800 4.340 -0.001 0.000 0.206 1739 R C 0.454 176.762 176.300 0.013 0.000 1.049 1739 R CA 0.824 56.934 56.100 0.016 0.000 1.029 1739 R CB 0.145 30.458 30.300 0.020 0.000 0.949 1739 R HN 0.415 nan 8.270 nan 0.000 0.471 1740 A N 1.048 123.876 122.820 0.012 0.000 3.409 1740 A HA 0.351 4.670 4.320 -0.001 0.000 0.282 1740 A C -2.303 175.284 177.584 0.006 0.000 1.064 1740 A CA -1.106 50.937 52.037 0.010 0.000 0.889 1740 A CB 0.745 19.752 19.000 0.011 0.000 1.251 1740 A HN -0.084 nan 8.150 nan 0.000 0.538 1741 P HA -0.228 nan 4.420 nan 0.000 0.218 1741 P C 1.696 178.994 177.300 -0.003 0.000 1.150 1741 P CA 2.475 65.575 63.100 -0.000 0.000 0.841 1741 P CB 0.077 31.777 31.700 -0.000 0.000 0.784 1742 T N -4.865 109.688 114.554 -0.001 0.000 3.067 1742 T HA 0.058 4.408 4.350 -0.001 0.000 0.261 1742 T C 0.774 175.475 174.700 0.001 0.000 1.110 1742 T CA 0.043 62.143 62.100 -0.001 0.000 1.113 1742 T CB -0.826 68.043 68.868 0.001 0.000 0.917 1742 T HN -0.173 nan 8.240 nan 0.000 0.499 1743 V N 2.808 122.724 119.914 0.002 0.000 2.555 1743 V HA 0.321 4.440 4.120 -0.001 0.000 0.286 1743 V C 0.364 176.458 176.094 0.001 0.000 1.044 1743 V CA -0.269 62.034 62.300 0.005 0.000 1.026 1743 V CB 0.729 32.556 31.823 0.006 0.000 0.981 1743 V HN 0.497 nan 8.190 nan 0.000 0.480 1744 M N 5.267 124.874 119.600 0.012 0.000 2.318 1744 M HA 0.461 4.940 4.480 -0.001 0.000 0.347 1744 M C -1.086 175.227 176.300 0.022 0.000 1.175 1744 M CA -0.708 54.597 55.300 0.009 0.000 1.075 1744 M CB 1.499 34.127 32.600 0.047 0.000 1.614 1744 M HN 0.311 nan 8.290 nan 0.000 0.456 1745 L N 2.266 123.488 121.223 -0.001 0.000 2.317 1745 L HA 0.481 4.820 4.340 -0.001 0.000 0.281 1745 L C -0.406 176.490 176.870 0.042 0.000 1.024 1745 L CA -0.127 54.710 54.840 -0.004 0.000 0.810 1745 L CB 1.553 43.593 42.059 -0.030 0.000 1.240 1745 L HN 0.658 nan 8.230 nan 0.000 0.427 1746 E N 1.252 121.476 120.200 0.039 0.000 2.260 1746 E HA 0.497 4.846 4.350 -0.001 0.000 0.266 1746 E C -1.392 175.200 176.600 -0.013 0.000 0.887 1746 E CA -0.386 56.067 56.400 0.088 0.000 0.777 1746 E CB 1.319 31.100 29.700 0.135 0.000 1.205 1746 E HN 0.603 nan 8.360 nan 0.000 0.414 1747 S N 2.304 117.996 115.700 -0.014 0.000 2.537 1747 S HA 0.524 4.994 4.470 -0.001 0.000 0.275 1747 S C -0.596 173.945 174.600 -0.099 0.000 1.272 1747 S CA -0.621 57.531 58.200 -0.080 0.000 1.050 1747 S CB 1.552 64.714 63.200 -0.063 0.000 0.961 1747 S HN 0.412 nan 8.310 nan 0.000 0.496 1748 S N 0.953 116.582 115.700 -0.118 0.000 2.536 1748 S HA 0.820 5.289 4.470 -0.001 0.000 0.271 1748 S C 0.113 174.658 174.600 -0.091 0.000 1.134 1748 S CA 0.295 58.433 58.200 -0.104 0.000 0.897 1748 S CB 1.147 64.303 63.200 -0.074 0.000 1.094 1748 S HN 1.254 nan 8.310 nan 0.000 0.473 1749 G N 2.547 111.299 108.800 -0.080 0.000 2.174 1749 G HA2 0.139 4.099 3.960 -0.001 0.000 0.070 1749 G HA3 0.139 4.099 3.960 -0.001 0.000 0.070 1749 G C 0.349 175.232 174.900 -0.029 0.000 1.120 1749 G CA 0.026 45.105 45.100 -0.036 0.000 1.194 1749 G HN 1.444 nan 8.290 nan 0.000 0.435 1750 G N 0.651 109.442 108.800 -0.014 0.000 3.401 1750 G HA2 0.508 4.467 3.960 -0.001 0.000 0.251 1750 G HA3 0.508 4.467 3.960 -0.001 0.000 0.251 1750 G C -0.401 174.490 174.900 -0.015 0.000 0.960 1750 G CA 0.072 45.186 45.100 0.024 0.000 1.900 1750 G HN 0.424 nan 8.290 nan 0.000 0.645 1751 L N 1.943 123.144 121.223 -0.038 0.000 2.289 1751 L HA 0.581 4.921 4.340 -0.001 0.000 0.285 1751 L C 0.541 177.560 176.870 0.248 0.000 1.049 1751 L CA -0.481 54.367 54.840 0.012 0.000 0.804 1751 L CB 1.672 43.715 42.059 -0.027 0.000 1.195 1751 L HN 0.303 nan 8.230 nan 0.000 0.428 1752 S N 2.482 118.332 115.700 0.250 0.000 2.570 1752 S HA 0.408 4.877 4.470 -0.001 0.000 0.286 1752 S C 0.559 175.082 174.600 -0.127 0.000 1.099 1752 S CA -0.747 57.562 58.200 0.181 0.000 0.913 1752 S CB 1.309 64.565 63.200 0.092 0.000 1.085 1752 S HN 0.422 nan 8.310 nan 0.000 0.480 1753 L N 1.627 122.569 121.223 -0.469 0.000 2.127 1753 L HA -0.089 4.251 4.340 -0.001 0.000 0.211 1753 L C 2.476 179.078 176.870 -0.446 0.000 1.089 1753 L CA 1.950 56.215 54.840 -0.958 0.000 0.757 1753 L CB -1.081 40.508 42.059 -0.784 0.000 0.899 1753 L HN 0.826 nan 8.230 nan 0.000 0.434 1754 Q N -1.369 118.305 119.800 -0.211 0.000 2.230 1754 Q HA -0.065 4.274 4.340 -0.001 0.000 0.202 1754 Q C 1.894 177.869 176.000 -0.042 0.000 0.963 1754 Q CA 1.681 57.421 55.803 -0.105 0.000 0.866 1754 Q CB -1.135 27.575 28.738 -0.047 0.000 0.931 1754 Q HN 0.688 nan 8.270 nan 0.000 0.452 1755 T N -2.638 111.924 114.554 0.013 0.000 3.044 1755 T HA 0.438 4.787 4.350 -0.001 0.000 0.250 1755 T C 1.945 176.771 174.700 0.211 0.000 1.081 1755 T CA 0.436 62.620 62.100 0.140 0.000 1.040 1755 T CB 0.045 69.086 68.868 0.289 0.000 0.962 1755 T HN 0.215 nan 8.240 nan 0.000 0.506 1756 A N 2.349 125.219 122.820 0.083 0.000 1.896 1756 A HA -0.022 4.298 4.320 -0.001 0.000 0.220 1756 A C 2.759 180.446 177.584 0.172 0.000 1.206 1756 A CA 2.408 54.534 52.037 0.148 0.000 0.647 1756 A CB -1.514 17.448 19.000 -0.064 0.000 0.828 1756 A HN 0.800 nan 8.150 nan 0.000 0.455 1757 A N -1.604 121.261 122.820 0.075 0.000 1.969 1757 A HA -0.018 4.301 4.320 -0.001 0.000 0.218 1757 A C 2.255 179.884 177.584 0.074 0.000 1.169 1757 A CA 2.169 54.245 52.037 0.065 0.000 0.635 1757 A CB -1.126 17.885 19.000 0.018 0.000 0.810 1757 A HN 0.497 nan 8.150 nan 0.000 0.445 1758 T N -1.304 113.292 114.554 0.071 0.000 2.821 1758 T HA -0.133 4.217 4.350 -0.001 0.000 0.267 1758 T C 1.690 176.372 174.700 -0.029 0.000 1.046 1758 T CA 1.679 63.780 62.100 0.001 0.000 1.139 1758 T CB -0.416 68.422 68.868 -0.049 0.000 0.871 1758 T HN 0.567 nan 8.240 nan 0.000 0.454 1759 Y N 1.437 121.771 120.300 0.056 0.000 2.184 1759 Y HA 0.103 4.652 4.550 -0.001 0.000 0.290 1759 Y C 2.800 178.729 175.900 0.050 0.000 1.129 1759 Y CA 0.675 58.812 58.100 0.061 0.000 1.144 1759 Y CB -0.726 37.783 38.460 0.082 0.000 0.995 1759 Y HN 0.174 nan 8.280 nan 0.000 0.513 1760 A N 0.380 123.329 122.820 0.215 0.000 1.917 1760 A HA -0.268 4.051 4.320 -0.001 0.000 0.219 1760 A C 1.995 179.623 177.584 0.072 0.000 1.182 1760 A CA 2.109 54.223 52.037 0.128 0.000 0.633 1760 A CB -0.706 18.361 19.000 0.112 0.000 0.819 1760 A HN 0.552 nan 8.150 nan 0.000 0.448 1761 E N -0.604 119.629 120.200 0.055 0.000 2.265 1761 E HA -0.149 4.201 4.350 -0.001 0.000 0.196 1761 E C 2.117 178.729 176.600 0.021 0.000 0.996 1761 E CA 1.393 57.809 56.400 0.027 0.000 0.832 1761 E CB -0.391 29.318 29.700 0.015 0.000 0.756 1761 E HN 0.907 nan 8.360 nan 0.000 0.491 1762 T N -2.580 111.988 114.554 0.025 0.000 2.849 1762 T HA -0.075 4.274 4.350 -0.001 0.000 0.270 1762 T C 1.652 176.366 174.700 0.024 0.000 1.066 1762 T CA 1.150 63.263 62.100 0.022 0.000 1.130 1762 T CB -0.018 68.867 68.868 0.028 0.000 0.864 1762 T HN 0.323 nan 8.240 nan 0.000 0.481 1763 G N 0.528 109.342 108.800 0.023 0.000 2.192 1763 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.193 1763 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.193 1763 G C 0.149 175.044 174.900 -0.009 0.000 0.999 1763 G CA -0.061 45.042 45.100 0.005 0.000 0.659 1763 G HN 1.373 nan 8.290 nan 0.000 0.503 1764 V N -1.425 118.494 119.914 0.009 0.000 3.178 1764 V HA 0.343 4.462 4.120 -0.001 0.000 0.306 1764 V C 1.179 177.227 176.094 -0.078 0.000 1.107 1764 V CA 0.965 63.258 62.300 -0.013 0.000 1.195 1764 V CB 0.803 32.645 31.823 0.032 0.000 0.993 1764 V HN 0.171 nan 8.190 nan 0.000 0.493 1765 D N 0.362 120.668 120.400 -0.158 0.000 2.271 1765 D HA 0.122 4.761 4.640 -0.001 0.000 0.206 1765 D C -0.239 175.717 176.300 -0.572 0.000 0.967 1765 D CA 1.489 55.244 54.000 -0.408 0.000 0.867 1765 D CB 0.291 40.756 40.800 -0.558 0.000 0.960 1765 D HN 0.697 nan 8.370 nan 0.000 0.509 1766 Y N -0.699 119.590 120.300 -0.019 0.000 2.625 1766 Y HA 0.457 5.006 4.550 -0.001 0.000 0.338 1766 Y C -0.866 175.021 175.900 -0.022 0.000 1.123 1766 Y CA -1.049 57.035 58.100 -0.027 0.000 1.046 1766 Y CB 1.499 39.924 38.460 -0.057 0.000 1.299 1766 Y HN -0.316 nan 8.280 nan 0.000 0.464 1767 L N 1.903 123.227 121.223 0.168 0.000 2.372 1767 L HA 0.784 5.123 4.340 -0.001 0.000 0.274 1767 L C -0.600 176.250 176.870 -0.033 0.000 0.988 1767 L CA -0.715 54.155 54.840 0.049 0.000 0.833 1767 L CB 1.630 43.737 42.059 0.079 0.000 1.236 1767 L HN 0.758 nan 8.230 nan 0.000 0.410 1768 A N 4.502 127.279 122.820 -0.071 0.000 2.260 1768 A HA 0.681 5.001 4.320 -0.001 0.000 0.312 1768 A C -0.649 176.804 177.584 -0.218 0.000 1.321 1768 A CA -0.431 51.544 52.037 -0.104 0.000 0.928 1768 A CB 0.329 19.312 19.000 -0.029 0.000 1.158 1768 A HN 0.388 nan 8.150 nan 0.000 0.542 1769 V N 3.834 123.541 119.914 -0.345 0.000 2.294 1769 V HA 0.337 4.456 4.120 -0.001 0.000 0.272 1769 V C 1.490 177.348 176.094 -0.393 0.000 1.027 1769 V CA 0.300 62.294 62.300 -0.509 0.000 0.823 1769 V CB 0.701 31.898 31.823 -1.043 0.000 1.030 1769 V HN 1.019 nan 8.190 nan 0.000 0.457 1770 G N 3.624 112.257 108.800 -0.279 0.000 2.422 1770 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.218 1770 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.218 1770 G C 1.592 176.061 174.900 -0.718 0.000 1.146 1770 G CA 1.050 45.993 45.100 -0.261 0.000 0.769 1770 G HN 0.832 nan 8.290 nan 0.000 0.547 1771 A N 0.472 122.833 122.820 -0.766 0.000 2.024 1771 A HA 0.002 4.321 4.320 -0.001 0.000 0.220 1771 A C 2.284 179.594 177.584 -0.457 0.000 1.164 1771 A CA 1.338 52.913 52.037 -0.769 0.000 0.643 1771 A CB -0.344 18.514 19.000 -0.236 0.000 0.806 1771 A HN 0.299 nan 8.150 nan 0.000 0.451 1772 L N 0.049 121.030 121.223 -0.402 0.000 2.129 1772 L HA -0.173 4.166 4.340 -0.001 0.000 0.212 1772 L C 2.773 179.515 176.870 -0.213 0.000 1.087 1772 L CA 2.564 57.237 54.840 -0.277 0.000 0.757 1772 L CB -0.979 40.895 42.059 -0.308 0.000 0.896 1772 L HN 0.720 nan 8.230 nan 0.000 0.434 1773 T N -4.801 109.616 114.554 -0.227 0.000 3.026 1773 T HA 0.092 4.442 4.350 -0.001 0.000 0.245 1773 T C 0.687 175.388 174.700 0.002 0.000 1.004 1773 T CA 0.110 62.151 62.100 -0.097 0.000 1.069 1773 T CB -0.306 68.532 68.868 -0.051 0.000 1.005 1773 T HN 0.424 nan 8.240 nan 0.000 0.472 1774 H N 0.997 120.066 119.070 -0.002 0.000 2.499 1774 H HA 0.715 5.270 4.556 -0.001 0.000 0.352 1774 H C 0.276 175.617 175.328 0.021 0.000 1.237 1774 H CA -0.587 55.472 56.048 0.018 0.000 1.343 1774 H CB 0.423 30.185 29.762 0.001 0.000 1.578 1774 H HN 0.039 nan 8.280 nan 0.000 0.577 1775 S N -1.243 114.645 115.700 0.312 0.000 3.631 1775 S HA -0.157 4.312 4.470 -0.001 0.000 0.366 1775 S C 0.071 174.715 174.600 0.073 0.000 0.993 1775 S CA 0.583 58.901 58.200 0.197 0.000 1.167 1775 S CB -2.396 60.960 63.200 0.260 0.000 0.909 1775 S HN 1.019 nan 8.310 nan 0.000 0.478 1776 V N -0.339 119.615 119.914 0.066 0.000 2.617 1776 V HA 0.718 4.837 4.120 -0.001 0.000 0.298 1776 V C 0.264 176.374 176.094 0.027 0.000 1.048 1776 V CA -0.981 61.319 62.300 -0.001 0.000 0.964 1776 V CB 1.844 33.589 31.823 -0.132 0.000 1.004 1776 V HN 0.446 nan 8.190 nan 0.000 0.466 1777 R N 3.971 124.474 120.500 0.004 0.000 2.295 1777 R HA 0.553 4.892 4.340 -0.001 0.000 0.324 1777 R C -0.835 175.469 176.300 0.006 0.000 0.968 1777 R CA -0.608 55.505 56.100 0.021 0.000 0.837 1777 R CB 1.785 32.098 30.300 0.022 0.000 1.133 1777 R HN 0.834 nan 8.270 nan 0.000 0.450 1778 V N 5.714 125.647 119.914 0.031 0.000 2.694 1778 V HA -0.026 4.093 4.120 -0.001 0.000 0.306 1778 V C -0.096 176.007 176.094 0.016 0.000 1.054 1778 V CA 0.038 62.357 62.300 0.033 0.000 1.161 1778 V CB 0.774 32.630 31.823 0.055 0.000 0.916 1778 V HN 0.581 nan 8.190 nan 0.000 0.490 1779 L N 6.135 127.364 121.223 0.010 0.000 2.313 1779 L HA 0.388 4.727 4.340 -0.001 0.000 0.282 1779 L C 0.046 176.925 176.870 0.014 0.000 1.092 1779 L CA 0.119 54.964 54.840 0.008 0.000 0.831 1779 L CB 0.969 43.029 42.059 0.003 0.000 1.159 1779 L HN 0.738 nan 8.230 nan 0.000 0.442 1780 D N 5.681 126.088 120.400 0.012 0.000 2.358 1780 D HA 0.287 4.927 4.640 -0.001 0.000 0.258 1780 D C -0.637 175.669 176.300 0.010 0.000 1.223 1780 D CA 0.433 54.441 54.000 0.012 0.000 0.886 1780 D CB 0.146 40.952 40.800 0.010 0.000 1.120 1780 D HN 0.417 nan 8.370 nan 0.000 0.482 1781 I N 2.272 122.848 120.570 0.010 0.000 2.647 1781 I HA 0.582 4.751 4.170 -0.001 0.000 0.295 1781 I C 0.653 176.773 176.117 0.005 0.000 1.078 1781 I CA -1.043 60.261 61.300 0.008 0.000 1.048 1781 I CB 2.477 40.482 38.000 0.009 0.000 1.239 1781 I HN 0.349 nan 8.210 nan 0.000 0.421 1782 G N 3.790 112.592 108.800 0.003 0.000 2.569 1782 G HA2 0.679 4.638 3.960 -0.001 0.000 0.300 1782 G HA3 0.679 4.638 3.960 -0.001 0.000 0.300 1782 G C -1.960 172.939 174.900 -0.002 0.000 1.269 1782 G CA -0.596 44.505 45.100 0.001 0.000 0.959 1782 G HN 0.386 nan 8.290 nan 0.000 0.478 1783 L N 1.049 122.269 121.223 -0.004 0.000 2.277 1783 L HA 0.523 4.862 4.340 -0.001 0.000 0.284 1783 L C -1.184 175.684 176.870 -0.004 0.000 1.028 1783 L CA -0.798 54.038 54.840 -0.007 0.000 0.835 1783 L CB 1.206 43.258 42.059 -0.012 0.000 1.215 1783 L HN 0.253 nan 8.230 nan 0.000 0.425 1784 D N 6.352 126.751 120.400 -0.002 0.000 2.280 1784 D HA 0.474 5.114 4.640 -0.001 0.000 0.236 1784 D C -0.129 176.172 176.300 0.001 0.000 1.082 1784 D CA 0.066 54.066 54.000 -0.000 0.000 0.834 1784 D CB 1.748 42.549 40.800 0.001 0.000 1.100 1784 D HN 0.521 nan 8.370 nan 0.000 0.486 1785 M N 0.000 119.601 119.600 0.001 0.000 2.572 1785 M HA 0.000 4.479 4.480 -0.001 0.000 0.227 1785 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1785 M CB 0.000 32.601 32.600 0.002 0.000 1.302 1785 M HN 0.000 nan 8.290 nan 0.000 0.411