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 1k5m_1_C DATA FIRST_RESID 1601 DATA SEQUENCE GLPTTTLPGS GQFLTTDDRQ SPSALPNYEP TPRIHIPGKV HNLLEIIQVD DATA SEQUENCE TLIPMNNTHT KDEVNSYLIP LNANRQNEQV FGTNLFIGDG VFKTTLLGEI DATA SEQUENCE VQYYTHWSGS LRFSLMYTGP ALSSAKLILA YTPPGARGPQ DRREAMLGTH DATA SEQUENCE VVWDIGLQST IVMTIPWTSG VQFRYTDPDT YTSAGFLSCW YQTSLILPPE DATA SEQUENCE TTGQVYLLSF ISACPDFKLR LMKDTQTISQ TVALTE 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 1601 G HA2 0.000 nan 3.960 nan 0.000 0.244 1601 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1601 G C 0.000 174.901 174.900 0.002 0.000 0.946 1601 G CA 0.000 45.101 45.100 0.002 0.000 0.502 1602 L N 4.456 125.681 121.223 0.002 0.000 2.418 1602 L HA 0.462 4.802 4.340 -0.000 0.000 0.274 1602 L C -1.237 175.635 176.870 0.003 0.000 1.135 1602 L CA -1.208 53.633 54.840 0.002 0.000 0.870 1602 L CB 0.338 42.399 42.059 0.003 0.000 1.154 1602 L HN 0.324 nan 8.230 nan 0.000 0.462 1603 P HA 0.264 nan 4.420 nan 0.000 0.276 1603 P C -1.074 176.228 177.300 0.003 0.000 1.235 1603 P CA -0.294 62.808 63.100 0.003 0.000 0.772 1603 P CB 0.827 32.529 31.700 0.003 0.000 0.871 1604 T N -1.060 113.495 114.554 0.003 0.000 2.883 1604 T HA 0.669 5.019 4.350 -0.000 0.000 0.296 1604 T C -0.718 173.984 174.700 0.004 0.000 1.117 1604 T CA -0.698 61.405 62.100 0.004 0.000 1.006 1604 T CB 1.590 70.460 68.868 0.004 0.000 1.191 1604 T HN 0.299 nan 8.240 nan 0.000 0.508 1605 T N 1.870 116.427 114.554 0.005 0.000 3.170 1605 T HA 0.496 4.846 4.350 -0.000 0.000 0.315 1605 T C -0.051 174.653 174.700 0.006 0.000 0.967 1605 T CA -0.854 61.248 62.100 0.005 0.000 1.024 1605 T CB 1.068 69.938 68.868 0.005 0.000 1.018 1605 T HN 1.060 nan 8.240 nan 0.000 0.449 1606 T N 2.785 117.343 114.554 0.006 0.000 2.870 1606 T HA 0.550 4.900 4.350 -0.000 0.000 0.300 1606 T C 0.425 175.129 174.700 0.008 0.000 0.989 1606 T CA -0.682 61.422 62.100 0.007 0.000 1.139 1606 T CB 0.100 68.972 68.868 0.008 0.000 0.920 1606 T HN 0.407 nan 8.240 nan 0.000 0.537 1607 L N 3.601 124.830 121.223 0.009 0.000 2.439 1607 L HA 0.432 4.772 4.340 -0.000 0.000 0.259 1607 L C -1.867 175.009 176.870 0.010 0.000 1.129 1607 L CA -2.628 52.218 54.840 0.008 0.000 0.803 1607 L CB 0.096 42.160 42.059 0.009 0.000 1.161 1607 L HN 0.442 nan 8.230 nan 0.000 0.462 1608 P HA 0.096 nan 4.420 nan 0.000 0.266 1608 P C 0.557 177.863 177.300 0.011 0.000 1.195 1608 P CA 0.615 63.721 63.100 0.009 0.000 0.768 1608 P CB 0.676 32.380 31.700 0.007 0.000 0.838 1609 G N 1.262 110.070 108.800 0.013 0.000 2.175 1609 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.244 1609 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.244 1609 G C 0.558 175.472 174.900 0.022 0.000 0.982 1609 G CA 0.069 45.179 45.100 0.016 0.000 0.641 1609 G HN 0.713 nan 8.290 nan 0.000 0.527 1610 S N 0.348 116.060 115.700 0.020 0.000 2.537 1610 S HA 0.454 4.923 4.470 -0.000 0.000 0.286 1610 S C 1.708 176.324 174.600 0.026 0.000 1.299 1610 S CA 1.770 59.983 58.200 0.021 0.000 1.067 1610 S CB 0.359 63.568 63.200 0.016 0.000 0.864 1610 S HN 2.180 nan 8.310 nan 0.000 0.494 1611 G N 3.019 111.838 108.800 0.032 0.000 2.159 1611 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.256 1611 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.256 1611 G C 0.009 174.944 174.900 0.059 0.000 0.977 1611 G CA 0.546 45.667 45.100 0.037 0.000 0.652 1611 G HN 0.964 nan 8.290 nan 0.000 0.531 1612 Q N -0.838 119.002 119.800 0.068 0.000 2.317 1612 Q HA 0.663 5.003 4.340 -0.000 0.000 0.229 1612 Q C -0.547 175.558 176.000 0.175 0.000 0.984 1612 Q CA -0.897 54.962 55.803 0.093 0.000 0.911 1612 Q CB 1.108 29.879 28.738 0.055 0.000 1.217 1612 Q HN 0.580 nan 8.270 nan 0.000 0.501 1613 F N 3.141 123.091 119.950 -0.001 0.000 2.359 1613 F HA 0.349 4.876 4.527 -0.000 0.000 0.370 1613 F C -1.825 173.974 175.800 -0.002 0.000 1.077 1613 F CA -1.936 56.063 58.000 -0.002 0.000 1.136 1613 F CB 0.729 39.727 39.000 -0.002 0.000 1.387 1613 F HN 0.548 nan 8.300 nan 0.000 0.468 1614 L N 6.863 128.039 121.223 -0.079 0.000 2.268 1614 L HA 0.281 4.621 4.340 -0.000 0.000 0.289 1614 L C 1.403 178.077 176.870 -0.325 0.000 1.064 1614 L CA 0.235 54.939 54.840 -0.227 0.000 0.824 1614 L CB 0.629 42.647 42.059 -0.068 0.000 1.202 1614 L HN 0.718 nan 8.230 nan 0.000 0.433 1615 T N -0.777 113.419 114.554 -0.597 0.000 3.052 1615 T HA -0.142 4.208 4.350 -0.000 0.000 0.270 1615 T C 1.257 175.887 174.700 -0.118 0.000 1.147 1615 T CA 1.703 63.555 62.100 -0.414 0.000 1.089 1615 T CB -0.372 68.275 68.868 -0.370 0.000 0.875 1615 T HN 0.626 nan 8.240 nan 0.000 0.541 1616 T N 0.635 115.129 114.554 -0.099 0.000 3.054 1616 T HA 0.167 4.517 4.350 -0.000 0.000 0.255 1616 T C 0.270 174.967 174.700 -0.005 0.000 1.035 1616 T CA -0.452 61.623 62.100 -0.041 0.000 0.941 1616 T CB -0.147 68.691 68.868 -0.050 0.000 1.026 1616 T HN 0.383 nan 8.240 nan 0.000 0.533 1617 D N 2.176 122.583 120.400 0.012 0.000 2.382 1617 D HA 0.107 4.747 4.640 -0.000 0.000 0.240 1617 D C -0.420 175.908 176.300 0.047 0.000 1.146 1617 D CA 0.146 54.167 54.000 0.036 0.000 0.897 1617 D CB 0.974 41.810 40.800 0.060 0.000 1.197 1617 D HN 0.101 nan 8.370 nan 0.000 0.432 1618 D N 2.013 122.435 120.400 0.036 0.000 2.412 1618 D HA 0.208 4.848 4.640 -0.000 0.000 0.276 1618 D C -0.638 175.680 176.300 0.030 0.000 1.196 1618 D CA -0.578 53.442 54.000 0.034 0.000 0.905 1618 D CB 0.163 40.978 40.800 0.025 0.000 1.081 1618 D HN 0.159 nan 8.370 nan 0.000 0.502 1619 R N 1.641 122.162 120.500 0.035 0.000 2.939 1619 R HA 0.523 4.863 4.340 -0.000 0.000 0.254 1619 R C -0.012 176.301 176.300 0.022 0.000 1.123 1619 R CA -0.887 55.229 56.100 0.027 0.000 1.020 1619 R CB 0.927 31.245 30.300 0.030 0.000 1.206 1619 R HN 0.333 nan 8.270 nan 0.000 0.491 1620 Q N 0.674 120.484 119.800 0.016 0.000 2.260 1620 Q HA 0.420 4.760 4.340 -0.000 0.000 0.238 1620 Q C -0.455 175.549 176.000 0.006 0.000 0.948 1620 Q CA -0.453 55.357 55.803 0.011 0.000 0.895 1620 Q CB 1.711 30.455 28.738 0.010 0.000 1.218 1620 Q HN 0.708 nan 8.270 nan 0.000 0.470 1621 S N -0.170 115.531 115.700 0.001 0.000 2.556 1621 S HA 0.606 5.076 4.470 -0.000 0.000 0.271 1621 S C -2.640 171.955 174.600 -0.008 0.000 1.135 1621 S CA -1.344 56.852 58.200 -0.007 0.000 0.858 1621 S CB 0.875 64.066 63.200 -0.015 0.000 1.114 1621 S HN 0.524 nan 8.310 nan 0.000 0.468 1622 P HA 0.278 nan 4.420 nan 0.000 0.268 1622 P C -0.411 176.881 177.300 -0.013 0.000 1.205 1622 P CA -0.123 62.971 63.100 -0.010 0.000 0.771 1622 P CB 0.750 32.443 31.700 -0.012 0.000 0.858 1623 S N 0.929 116.625 115.700 -0.008 0.000 2.523 1623 S HA 0.390 4.860 4.470 -0.000 0.000 0.275 1623 S C 1.300 175.890 174.600 -0.017 0.000 1.281 1623 S CA -0.096 58.097 58.200 -0.012 0.000 1.050 1623 S CB 0.382 63.583 63.200 0.001 0.000 0.937 1623 S HN 0.536 nan 8.310 nan 0.000 0.492 1624 A N 4.961 127.762 122.820 -0.032 0.000 2.119 1624 A HA 0.316 4.636 4.320 -0.000 0.000 0.216 1624 A C 0.634 178.198 177.584 -0.033 0.000 1.152 1624 A CA 0.549 52.565 52.037 -0.035 0.000 0.708 1624 A CB -0.213 18.758 19.000 -0.048 0.000 0.805 1624 A HN 0.765 nan 8.150 nan 0.000 0.460 1625 L N 1.918 123.120 121.223 -0.035 0.000 2.502 1625 L HA 0.291 4.631 4.340 -0.000 0.000 0.247 1625 L C -2.571 174.327 176.870 0.046 0.000 1.180 1625 L CA -1.756 53.075 54.840 -0.016 0.000 0.956 1625 L CB 1.251 43.244 42.059 -0.111 0.000 1.282 1625 L HN 0.087 nan 8.230 nan 0.000 0.470 1626 P HA 0.124 nan 4.420 nan 0.000 0.271 1626 P C -0.148 177.199 177.300 0.078 0.000 1.216 1626 P CA 0.241 63.372 63.100 0.052 0.000 0.776 1626 P CB 0.866 32.585 31.700 0.031 0.000 0.881 1627 N N -1.975 116.769 118.700 0.074 0.000 2.936 1627 N HA -0.272 4.468 4.740 -0.000 0.000 0.236 1627 N C -0.248 175.310 175.510 0.080 0.000 0.930 1627 N CA 0.462 53.548 53.050 0.060 0.000 0.966 1627 N CB -2.016 36.493 38.487 0.037 0.000 1.090 1627 N HN 0.543 nan 8.380 nan 0.000 0.592 1628 Y N 2.473 122.773 120.300 -0.001 0.000 2.511 1628 Y HA 0.112 4.662 4.550 -0.000 0.000 0.332 1628 Y C 0.238 176.138 175.900 -0.000 0.000 1.177 1628 Y CA 0.330 58.429 58.100 -0.001 0.000 1.422 1628 Y CB 0.520 38.979 38.460 -0.002 0.000 1.271 1628 Y HN 0.010 nan 8.280 nan 0.000 0.550 1629 E N 8.541 128.379 120.200 -0.605 0.000 2.102 1629 E HA 0.246 4.596 4.350 -0.000 0.000 0.263 1629 E C -2.344 173.953 176.600 -0.506 0.000 0.894 1629 E CA -2.179 53.993 56.400 -0.380 0.000 0.746 1629 E CB 0.600 30.150 29.700 -0.250 0.000 1.129 1629 E HN 0.513 nan 8.360 nan 0.000 0.416 1630 P HA -0.006 nan 4.420 nan 0.000 0.269 1630 P C -0.169 177.119 177.300 -0.020 0.000 1.215 1630 P CA -0.300 62.827 63.100 0.046 0.000 0.780 1630 P CB 0.583 32.379 31.700 0.160 0.000 0.898 1631 T N 4.297 118.861 114.554 0.017 0.000 2.934 1631 T HA 0.132 4.482 4.350 -0.000 0.000 0.306 1631 T C -1.582 173.123 174.700 0.008 0.000 1.042 1631 T CA -0.322 61.779 62.100 0.002 0.000 1.145 1631 T CB -0.747 68.135 68.868 0.023 0.000 0.982 1631 T HN 0.454 nan 8.240 nan 0.000 0.544 1632 P HA 0.185 nan 4.420 nan 0.000 0.269 1632 P C -0.266 177.042 177.300 0.014 0.000 1.215 1632 P CA -0.415 62.689 63.100 0.006 0.000 0.780 1632 P CB 0.695 32.396 31.700 0.000 0.000 0.898 1633 R N 1.468 121.981 120.500 0.020 0.000 2.438 1633 R HA 0.443 4.783 4.340 -0.000 0.000 0.287 1633 R C 0.607 176.926 176.300 0.032 0.000 1.077 1633 R CA -0.432 55.684 56.100 0.025 0.000 1.034 1633 R CB 0.186 30.506 30.300 0.033 0.000 0.993 1633 R HN 0.551 nan 8.270 nan 0.000 0.459 1634 I N -1.991 118.597 120.570 0.030 0.000 2.910 1634 I HA 0.379 4.549 4.170 -0.000 0.000 0.310 1634 I C -0.296 175.860 176.117 0.065 0.000 1.043 1634 I CA -1.268 60.060 61.300 0.047 0.000 1.053 1634 I CB 1.659 39.677 38.000 0.029 0.000 1.242 1634 I HN 0.480 nan 8.210 nan 0.000 0.452 1635 H N 3.783 122.855 119.070 0.003 0.000 2.955 1635 H HA 0.532 5.088 4.556 -0.000 0.000 0.290 1635 H C -1.105 174.223 175.328 -0.000 0.000 1.047 1635 H CA 0.092 56.142 56.048 0.003 0.000 1.484 1635 H CB 0.311 30.075 29.762 0.004 0.000 1.501 1635 H HN 0.512 nan 8.280 nan 0.000 0.521 1636 I N 7.933 128.184 120.570 -0.533 0.000 2.406 1636 I HA 0.300 4.470 4.170 -0.000 0.000 0.290 1636 I C -1.976 173.811 176.117 -0.550 0.000 0.999 1636 I CA -2.179 58.872 61.300 -0.415 0.000 1.124 1636 I CB 1.845 39.727 38.000 -0.197 0.000 1.289 1636 I HN 0.575 nan 8.210 nan 0.000 0.441 1637 P HA 0.229 nan 4.420 nan 0.000 0.272 1637 P C 0.437 177.660 177.300 -0.129 0.000 1.230 1637 P CA 0.143 63.116 63.100 -0.212 0.000 0.788 1637 P CB 0.605 32.254 31.700 -0.086 0.000 0.949 1638 G N 0.025 108.784 108.800 -0.068 0.000 2.256 1638 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.272 1638 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.272 1638 G C 0.021 174.871 174.900 -0.083 0.000 1.076 1638 G CA -0.182 44.884 45.100 -0.058 0.000 0.882 1638 G HN 0.666 nan 8.290 nan 0.000 0.497 1639 K N -0.073 120.270 120.400 -0.096 0.000 2.350 1639 K HA 0.491 4.811 4.320 -0.000 0.000 0.279 1639 K C 0.410 176.865 176.600 -0.241 0.000 1.027 1639 K CA -0.403 55.778 56.287 -0.176 0.000 0.969 1639 K CB 0.686 33.076 32.500 -0.184 0.000 0.954 1639 K HN 0.101 nan 8.250 nan 0.000 0.474 1640 V N 4.772 124.519 119.914 -0.279 0.000 2.459 1640 V HA 0.207 4.327 4.120 -0.000 0.000 0.295 1640 V C -0.075 175.823 176.094 -0.326 0.000 1.029 1640 V CA -0.602 61.566 62.300 -0.221 0.000 0.874 1640 V CB 1.360 33.121 31.823 -0.103 0.000 0.985 1640 V HN 0.906 nan 8.190 nan 0.000 0.438 1641 H N 1.545 120.618 119.070 0.005 0.000 2.615 1641 H HA 0.315 4.871 4.556 -0.000 0.000 0.275 1641 H C 0.743 176.075 175.328 0.008 0.000 0.981 1641 H CA 0.213 56.266 56.048 0.007 0.000 1.252 1641 H CB 0.667 30.434 29.762 0.008 0.000 1.447 1641 H HN 0.531 nan 8.280 nan 0.000 0.498 1642 N N 0.202 118.968 118.700 0.110 0.000 2.264 1642 N HA 0.112 4.852 4.740 -0.000 0.000 0.288 1642 N C 0.215 175.750 175.510 0.041 0.000 1.094 1642 N CA -0.214 52.877 53.050 0.068 0.000 0.817 1642 N CB 2.052 40.577 38.487 0.065 0.000 1.604 1642 N HN 0.075 nan 8.380 nan 0.000 0.473 1643 L N 2.294 123.538 121.223 0.035 0.000 2.275 1643 L HA -0.025 4.315 4.340 -0.000 0.000 0.215 1643 L C 1.981 178.867 176.870 0.028 0.000 1.119 1643 L CA 0.829 55.690 54.840 0.035 0.000 0.790 1643 L CB -0.037 42.061 42.059 0.065 0.000 0.919 1643 L HN 0.529 nan 8.230 nan 0.000 0.443 1644 L N -0.610 120.627 121.223 0.023 0.000 2.362 1644 L HA -0.146 4.194 4.340 -0.000 0.000 0.219 1644 L C 2.300 179.184 176.870 0.023 0.000 1.134 1644 L CA 0.793 55.654 54.840 0.034 0.000 0.807 1644 L CB -0.289 41.795 42.059 0.041 0.000 0.927 1644 L HN 0.321 nan 8.230 nan 0.000 0.447 1645 E N 0.695 120.909 120.200 0.023 0.000 2.046 1645 E HA -0.186 4.164 4.350 -0.000 0.000 0.190 1645 E C 2.216 178.817 176.600 0.002 0.000 0.982 1645 E CA 1.441 57.851 56.400 0.018 0.000 0.800 1645 E CB -0.086 29.633 29.700 0.031 0.000 0.756 1645 E HN 0.608 nan 8.360 nan 0.000 0.449 1646 I N 0.002 120.573 120.570 0.002 0.000 2.676 1646 I HA -0.065 4.105 4.170 -0.000 0.000 0.259 1646 I C 2.294 178.400 176.117 -0.018 0.000 1.194 1646 I CA 0.841 62.138 61.300 -0.006 0.000 1.473 1646 I CB -0.562 37.438 38.000 -0.000 0.000 1.096 1646 I HN 0.036 nan 8.210 nan 0.000 0.443 1647 I N -1.045 119.506 120.570 -0.030 0.000 3.444 1647 I HA -0.033 4.137 4.170 -0.000 0.000 0.287 1647 I C 1.876 177.924 176.117 -0.115 0.000 1.302 1647 I CA 0.678 61.932 61.300 -0.077 0.000 1.368 1647 I CB -0.587 37.342 38.000 -0.119 0.000 1.048 1647 I HN 0.281 nan 8.210 nan 0.000 0.487 1648 Q N 1.192 120.947 119.800 -0.076 0.000 2.424 1648 Q HA 0.185 4.525 4.340 -0.000 0.000 0.204 1648 Q C 0.371 176.336 176.000 -0.059 0.000 0.933 1648 Q CA 0.181 55.940 55.803 -0.074 0.000 0.929 1648 Q CB 0.688 29.399 28.738 -0.045 0.000 1.037 1648 Q HN 0.429 nan 8.270 nan 0.000 0.511 1649 V N 3.401 123.288 119.914 -0.045 0.000 2.461 1649 V HA 0.023 4.143 4.120 -0.000 0.000 0.275 1649 V C -0.179 175.902 176.094 -0.022 0.000 1.047 1649 V CA -0.704 61.576 62.300 -0.033 0.000 0.955 1649 V CB 0.932 32.742 31.823 -0.020 0.000 0.988 1649 V HN 0.252 nan 8.190 nan 0.000 0.471 1650 D N 3.028 123.421 120.400 -0.012 0.000 2.304 1650 D HA 0.503 5.143 4.640 -0.000 0.000 0.247 1650 D C 0.104 176.474 176.300 0.117 0.000 1.089 1650 D CA -0.382 53.646 54.000 0.047 0.000 0.910 1650 D CB 1.268 42.096 40.800 0.046 0.000 1.199 1650 D HN 0.618 nan 8.370 nan 0.000 0.426 1651 T N -1.591 113.035 114.554 0.120 0.000 2.916 1651 T HA 0.531 4.881 4.350 -0.000 0.000 0.292 1651 T C 0.255 174.953 174.700 -0.003 0.000 1.055 1651 T CA -1.168 60.972 62.100 0.066 0.000 1.009 1651 T CB 0.702 69.583 68.868 0.022 0.000 1.118 1651 T HN 0.348 nan 8.240 nan 0.000 0.497 1652 L N 1.519 122.631 121.223 -0.185 0.000 2.456 1652 L HA 0.360 4.700 4.340 -0.000 0.000 0.272 1652 L C 0.043 176.884 176.870 -0.047 0.000 1.189 1652 L CA -0.502 54.130 54.840 -0.348 0.000 0.846 1652 L CB 0.137 41.825 42.059 -0.619 0.000 1.111 1652 L HN 0.538 nan 8.230 nan 0.000 0.475 1653 I N 4.943 125.494 120.570 -0.031 0.000 2.353 1653 I HA 0.224 4.394 4.170 -0.000 0.000 0.293 1653 I C -1.798 174.335 176.117 0.027 0.000 0.992 1653 I CA -1.776 59.531 61.300 0.011 0.000 1.268 1653 I CB 1.524 39.482 38.000 -0.069 0.000 1.387 1653 I HN 0.392 nan 8.210 nan 0.000 0.478 1654 P HA 0.060 nan 4.420 nan 0.000 0.226 1654 P C 0.631 177.754 177.300 -0.295 0.000 1.783 1654 P CA -0.149 62.698 63.100 -0.422 0.000 0.980 1654 P CB 0.478 31.865 31.700 -0.522 0.000 1.967 1655 M N 1.700 121.154 119.600 -0.243 0.000 2.202 1655 M HA -0.121 4.359 4.480 -0.000 0.000 0.262 1655 M C 0.992 177.182 176.300 -0.184 0.000 1.063 1655 M CA 1.574 56.719 55.300 -0.259 0.000 1.097 1655 M CB -0.824 31.574 32.600 -0.337 0.000 1.382 1655 M HN -0.113 nan 8.290 nan 0.000 0.413 1656 N N 1.591 120.208 118.700 -0.139 0.000 3.052 1656 N HA 0.025 4.765 4.740 -0.000 0.000 0.302 1656 N C -1.029 174.444 175.510 -0.061 0.000 1.332 1656 N CA -0.124 52.887 53.050 -0.065 0.000 1.129 1656 N CB -0.876 37.625 38.487 0.023 0.000 1.436 1656 N HN 0.385 nan 8.380 nan 0.000 0.536 1657 N N -0.280 118.354 118.700 -0.110 0.000 3.178 1657 N HA -0.021 4.719 4.740 -0.000 0.000 0.300 1657 N C -0.032 175.409 175.510 -0.116 0.000 1.242 1657 N CA -0.102 52.892 53.050 -0.093 0.000 1.192 1657 N CB -0.426 37.989 38.487 -0.121 0.000 1.463 1657 N HN 0.174 nan 8.380 nan 0.000 0.539 1658 T N -3.776 110.639 114.554 -0.232 0.000 3.132 1658 T HA 0.189 4.539 4.350 -0.000 0.000 0.274 1658 T C -0.132 174.325 174.700 -0.405 0.000 1.011 1658 T CA -0.263 61.654 62.100 -0.305 0.000 0.899 1658 T CB -0.370 68.302 68.868 -0.326 0.000 1.089 1658 T HN 0.346 nan 8.240 nan 0.000 0.543 1659 H N -0.008 119.024 119.070 -0.063 0.000 2.496 1659 H HA 0.538 5.094 4.556 -0.000 0.000 0.342 1659 H C 1.570 176.868 175.328 -0.050 0.000 1.170 1659 H CA -0.283 55.732 56.048 -0.055 0.000 1.274 1659 H CB 1.489 31.210 29.762 -0.068 0.000 1.538 1659 H HN 0.023 nan 8.280 nan 0.000 0.542 1660 T N -0.031 114.575 114.554 0.086 0.000 2.995 1660 T HA -0.025 4.325 4.350 -0.000 0.000 0.269 1660 T C 0.210 174.923 174.700 0.022 0.000 1.091 1660 T CA 0.763 62.882 62.100 0.032 0.000 1.128 1660 T CB -0.119 68.762 68.868 0.021 0.000 0.891 1660 T HN 0.648 nan 8.240 nan 0.000 0.492 1661 K N -0.061 120.358 120.400 0.032 0.000 2.466 1661 K HA 0.512 4.832 4.320 -0.000 0.000 0.260 1661 K C -1.680 174.904 176.600 -0.026 0.000 1.011 1661 K CA -1.106 55.178 56.287 -0.004 0.000 0.871 1661 K CB 1.079 33.570 32.500 -0.014 0.000 1.404 1661 K HN -0.256 nan 8.250 nan 0.000 0.450 1662 D N 2.205 122.577 120.400 -0.047 0.000 2.383 1662 D HA 0.093 4.733 4.640 -0.000 0.000 0.252 1662 D C -0.417 175.820 176.300 -0.105 0.000 1.166 1662 D CA 0.458 54.410 54.000 -0.080 0.000 0.879 1662 D CB 0.848 41.612 40.800 -0.061 0.000 1.164 1662 D HN 0.575 nan 8.370 nan 0.000 0.462 1663 E N -0.581 119.517 120.200 -0.170 0.000 2.445 1663 E HA 0.262 4.612 4.350 -0.000 0.000 0.279 1663 E C 0.061 176.560 176.600 -0.168 0.000 1.018 1663 E CA -0.855 55.437 56.400 -0.180 0.000 0.816 1663 E CB 0.762 30.303 29.700 -0.264 0.000 1.356 1663 E HN -0.023 nan 8.360 nan 0.000 0.462 1664 V N 1.076 120.934 119.914 -0.093 0.000 2.469 1664 V HA -0.239 3.881 4.120 -0.000 0.000 0.251 1664 V C 1.648 177.693 176.094 -0.081 0.000 1.064 1664 V CA 1.905 64.210 62.300 0.007 0.000 1.066 1664 V CB -0.828 30.974 31.823 -0.035 0.000 0.667 1664 V HN 0.606 nan 8.190 nan 0.000 0.461 1665 N N 0.294 118.843 118.700 -0.251 0.000 2.430 1665 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 1665 N C 1.957 177.329 175.510 -0.231 0.000 1.032 1665 N CA 1.464 54.326 53.050 -0.314 0.000 0.893 1665 N CB -0.179 38.020 38.487 -0.480 0.000 0.957 1665 N HN 0.462 nan 8.380 nan 0.000 0.442 1666 S N -0.278 115.236 115.700 -0.309 0.000 2.447 1666 S HA -0.072 4.398 4.470 -0.000 0.000 0.233 1666 S C 1.125 175.505 174.600 -0.367 0.000 1.006 1666 S CA 0.682 58.715 58.200 -0.280 0.000 0.957 1666 S CB -0.204 62.722 63.200 -0.458 0.000 0.773 1666 S HN 0.455 nan 8.310 nan 0.000 0.507 1667 Y N 0.818 121.034 120.300 -0.139 0.000 2.482 1667 Y HA 0.374 4.924 4.550 -0.000 0.000 0.270 1667 Y C 0.444 176.242 175.900 -0.169 0.000 1.152 1667 Y CA -0.252 57.745 58.100 -0.172 0.000 1.292 1667 Y CB -0.139 38.200 38.460 -0.201 0.000 1.070 1667 Y HN 0.099 nan 8.280 nan 0.000 0.528 1668 L N 1.882 123.076 121.223 -0.049 0.000 2.255 1668 L HA 0.319 4.659 4.340 -0.000 0.000 0.289 1668 L C -0.521 176.398 176.870 0.082 0.000 1.046 1668 L CA -0.268 54.520 54.840 -0.087 0.000 0.816 1668 L CB 0.760 42.531 42.059 -0.480 0.000 1.197 1668 L HN 0.012 nan 8.230 nan 0.000 0.427 1669 I N 5.626 126.291 120.570 0.159 0.000 2.322 1669 I HA 0.213 4.383 4.170 -0.000 0.000 0.292 1669 I C -2.016 174.306 176.117 0.341 0.000 1.060 1669 I CA -1.834 59.586 61.300 0.201 0.000 1.309 1669 I CB 0.781 38.869 38.000 0.147 0.000 1.415 1669 I HN 0.291 nan 8.210 nan 0.000 0.492 1670 P HA 0.159 nan 4.420 nan 0.000 0.271 1670 P C -0.893 176.485 177.300 0.130 0.000 1.216 1670 P CA -0.252 62.969 63.100 0.201 0.000 0.776 1670 P CB 0.730 32.542 31.700 0.187 0.000 0.881 1671 L N 4.030 125.278 121.223 0.041 0.000 2.404 1671 L HA 0.397 4.737 4.340 -0.000 0.000 0.272 1671 L C -0.571 176.374 176.870 0.125 0.000 0.980 1671 L CA -0.243 54.695 54.840 0.164 0.000 0.836 1671 L CB 1.029 43.205 42.059 0.195 0.000 1.238 1671 L HN 0.251 nan 8.230 nan 0.000 0.408 1672 N N 2.949 121.775 118.700 0.210 0.000 2.430 1672 N HA 0.616 5.356 4.740 -0.000 0.000 0.292 1672 N C -0.404 175.084 175.510 -0.037 0.000 1.051 1672 N CA -0.422 52.662 53.050 0.057 0.000 0.917 1672 N CB 2.151 40.661 38.487 0.039 0.000 1.164 1672 N HN 0.681 nan 8.380 nan 0.000 0.484 1673 A N 1.750 124.539 122.820 -0.051 0.000 2.371 1673 A HA 0.257 4.577 4.320 -0.000 0.000 0.257 1673 A C 0.325 177.828 177.584 -0.134 0.000 1.089 1673 A CA -0.308 51.682 52.037 -0.079 0.000 0.794 1673 A CB -0.393 18.583 19.000 -0.040 0.000 1.029 1673 A HN 0.904 nan 8.150 nan 0.000 0.488 1674 N N -0.112 118.497 118.700 -0.151 0.000 2.708 1674 N HA -0.154 4.586 4.740 -0.000 0.000 0.255 1674 N C -0.747 174.644 175.510 -0.198 0.000 1.046 1674 N CA 0.965 53.928 53.050 -0.146 0.000 0.715 1674 N CB -1.000 37.435 38.487 -0.087 0.000 0.895 1674 N HN 0.713 nan 8.380 nan 0.000 0.545 1675 R N 0.505 120.796 120.500 -0.348 0.000 2.574 1675 R HA 0.290 4.630 4.340 -0.000 0.000 0.288 1675 R C 0.457 176.540 176.300 -0.362 0.000 1.004 1675 R CA -0.718 55.158 56.100 -0.372 0.000 0.895 1675 R CB 1.660 31.651 30.300 -0.515 0.000 1.191 1675 R HN 0.225 nan 8.270 nan 0.000 0.444 1676 Q N 1.353 121.072 119.800 -0.135 0.000 1.962 1676 Q HA -0.024 4.316 4.340 -0.000 0.000 0.204 1676 Q C 1.175 177.242 176.000 0.111 0.000 0.979 1676 Q CA 0.958 56.747 55.803 -0.023 0.000 0.847 1676 Q CB 0.135 28.869 28.738 -0.007 0.000 0.906 1676 Q HN 0.626 nan 8.270 nan 0.000 0.458 1677 N N 0.627 119.405 118.700 0.130 0.000 2.373 1677 N HA -0.003 4.737 4.740 -0.000 0.000 0.181 1677 N C -0.088 175.634 175.510 0.353 0.000 1.082 1677 N CA 0.044 53.211 53.050 0.194 0.000 0.885 1677 N CB 0.197 38.743 38.487 0.098 0.000 0.977 1677 N HN 0.200 nan 8.380 nan 0.000 0.462 1678 E N 1.337 121.750 120.200 0.354 0.000 2.485 1678 E HA -0.132 4.218 4.350 -0.000 0.000 0.266 1678 E C -0.107 176.724 176.600 0.386 0.000 1.137 1678 E CA 0.401 57.033 56.400 0.388 0.000 1.010 1678 E CB 0.535 30.421 29.700 0.309 0.000 0.986 1678 E HN 0.249 nan 8.360 nan 0.000 0.460 1679 Q N 0.815 120.662 119.800 0.079 0.000 2.235 1679 Q HA 0.144 4.484 4.340 -0.000 0.000 0.250 1679 Q C 0.195 175.965 176.000 -0.383 0.000 0.909 1679 Q CA -0.480 54.999 55.803 -0.540 0.000 0.910 1679 Q CB 1.355 29.567 28.738 -0.877 0.000 1.223 1679 Q HN 0.415 nan 8.270 nan 0.000 0.432 1680 V N 4.422 123.988 119.914 -0.580 0.000 2.492 1680 V HA 0.135 4.255 4.120 -0.000 0.000 0.241 1680 V C 0.133 176.157 176.094 -0.118 0.000 1.041 1680 V CA 1.081 63.173 62.300 -0.347 0.000 1.057 1680 V CB -0.276 31.307 31.823 -0.399 0.000 0.711 1680 V HN 0.758 nan 8.190 nan 0.000 0.468 1681 F N -1.776 118.006 119.950 -0.280 0.000 2.773 1681 F HA 0.833 5.360 4.527 -0.000 0.000 0.314 1681 F C -0.535 175.136 175.800 -0.216 0.000 1.160 1681 F CA -0.661 57.233 58.000 -0.177 0.000 0.920 1681 F CB 1.121 40.082 39.000 -0.065 0.000 1.323 1681 F HN 0.027 nan 8.300 nan 0.000 0.457 1682 G N -0.395 108.561 108.800 0.260 0.000 2.698 1682 G HA2 0.634 4.594 3.960 -0.000 0.000 0.293 1682 G HA3 0.634 4.594 3.960 -0.000 0.000 0.293 1682 G C -1.894 173.160 174.900 0.257 0.000 1.437 1682 G CA -0.464 44.734 45.100 0.163 0.000 0.852 1682 G HN 1.188 nan 8.290 nan 0.000 0.499 1683 T N -0.725 113.995 114.554 0.277 0.000 3.003 1683 T HA 0.464 4.814 4.350 -0.000 0.000 0.354 1683 T C -0.824 174.078 174.700 0.338 0.000 1.651 1683 T CA -0.574 61.682 62.100 0.260 0.000 1.103 1683 T CB 1.095 70.061 68.868 0.163 0.000 1.450 1683 T HN 1.147 nan 8.240 nan 0.000 0.484 1684 N N 2.754 121.648 118.700 0.323 0.000 2.408 1684 N HA 0.440 5.180 4.740 -0.000 0.000 0.260 1684 N C 0.052 175.657 175.510 0.158 0.000 1.242 1684 N CA -0.704 52.440 53.050 0.155 0.000 0.959 1684 N CB 0.386 38.981 38.487 0.179 0.000 1.201 1684 N HN 0.568 nan 8.380 nan 0.000 0.511 1685 L N 0.288 121.452 121.223 -0.099 0.000 3.084 1685 L HA 0.345 4.685 4.340 -0.000 0.000 0.238 1685 L C -0.642 176.132 176.870 -0.160 0.000 1.327 1685 L CA -0.395 54.404 54.840 -0.068 0.000 1.094 1685 L CB -0.569 41.432 42.059 -0.095 0.000 1.477 1685 L HN 0.477 nan 8.230 nan 0.000 0.514 1686 F N 1.380 121.378 119.950 0.079 0.000 2.462 1686 F HA 0.143 4.670 4.527 -0.000 0.000 0.354 1686 F C 1.645 177.466 175.800 0.036 0.000 1.192 1686 F CA -0.536 57.512 58.000 0.079 0.000 1.173 1686 F CB 0.444 39.506 39.000 0.104 0.000 1.402 1686 F HN 0.202 nan 8.300 nan 0.000 0.595 1687 I N -0.378 120.153 120.570 -0.064 0.000 3.010 1687 I HA 0.026 4.196 4.170 -0.000 0.000 0.271 1687 I C 1.664 177.772 176.117 -0.015 0.000 1.293 1687 I CA 1.147 62.286 61.300 -0.267 0.000 1.452 1687 I CB -0.426 37.183 38.000 -0.652 0.000 1.082 1687 I HN 0.553 nan 8.210 nan 0.000 0.484 1688 G N 0.292 109.156 108.800 0.107 0.000 3.233 1688 G HA2 0.182 4.142 3.960 -0.000 0.000 0.234 1688 G HA3 0.182 4.142 3.960 -0.000 0.000 0.234 1688 G C -0.381 174.589 174.900 0.116 0.000 1.137 1688 G CA 0.084 45.249 45.100 0.108 0.000 0.763 1688 G HN 0.471 nan 8.290 nan 0.000 0.549 1689 D N -3.121 117.386 120.400 0.179 0.000 2.921 1689 D HA 0.502 5.142 4.640 -0.000 0.000 0.329 1689 D C 1.023 177.428 176.300 0.175 0.000 1.293 1689 D CA 0.744 54.819 54.000 0.125 0.000 0.964 1689 D CB 0.607 41.431 40.800 0.040 0.000 1.435 1689 D HN 0.408 nan 8.370 nan 0.000 0.548 1690 G N -0.562 108.290 108.800 0.087 0.000 2.596 1690 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.295 1690 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.295 1690 G C 1.292 176.169 174.900 -0.039 0.000 1.240 1690 G CA 1.533 46.662 45.100 0.048 0.000 0.985 1690 G HN 1.311 nan 8.290 nan 0.000 0.555 1691 V N -2.399 117.402 119.914 -0.188 0.000 3.141 1691 V HA 0.319 4.439 4.120 -0.000 0.000 0.265 1691 V C 2.289 178.153 176.094 -0.383 0.000 1.126 1691 V CA 2.540 64.629 62.300 -0.352 0.000 1.141 1691 V CB -0.680 30.831 31.823 -0.519 0.000 0.743 1691 V HN 0.603 nan 8.190 nan 0.000 0.492 1692 F N 0.307 120.266 119.950 0.015 0.000 2.619 1692 F HA 0.317 4.844 4.527 -0.000 0.000 0.293 1692 F C 2.293 178.096 175.800 0.004 0.000 1.119 1692 F CA 0.618 58.625 58.000 0.011 0.000 1.445 1692 F CB -0.328 38.674 39.000 0.003 0.000 1.119 1692 F HN 0.014 nan 8.300 nan 0.000 0.573 1693 K N 0.584 121.076 120.400 0.154 0.000 2.127 1693 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 1693 K C 1.823 178.458 176.600 0.059 0.000 1.047 1693 K CA 2.083 58.422 56.287 0.087 0.000 0.927 1693 K CB -0.264 32.263 32.500 0.044 0.000 0.716 1693 K HN 0.387 nan 8.250 nan 0.000 0.450 1694 T N -2.163 112.419 114.554 0.047 0.000 3.086 1694 T HA 0.028 4.378 4.350 -0.000 0.000 0.250 1694 T C 0.789 175.530 174.700 0.069 0.000 1.074 1694 T CA 0.131 62.257 62.100 0.044 0.000 0.988 1694 T CB -0.264 68.618 68.868 0.025 0.000 0.988 1694 T HN 0.258 nan 8.240 nan 0.000 0.530 1695 T N 0.407 115.015 114.554 0.090 0.000 2.813 1695 T HA 0.377 4.727 4.350 -0.000 0.000 0.297 1695 T C 1.252 175.999 174.700 0.078 0.000 1.036 1695 T CA -0.675 61.483 62.100 0.096 0.000 1.044 1695 T CB 0.911 69.859 68.868 0.134 0.000 0.993 1695 T HN 0.021 nan 8.240 nan 0.000 0.535 1696 L N 1.549 122.808 121.223 0.060 0.000 2.012 1696 L HA 0.012 4.352 4.340 -0.000 0.000 0.210 1696 L C 2.350 179.250 176.870 0.049 0.000 1.073 1696 L CA 1.738 56.609 54.840 0.052 0.000 0.748 1696 L CB -1.180 40.899 42.059 0.032 0.000 0.891 1696 L HN 0.842 nan 8.230 nan 0.000 0.431 1697 L N -0.616 120.621 121.223 0.022 0.000 1.994 1697 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 1697 L C 2.355 179.231 176.870 0.011 0.000 1.071 1697 L CA 2.068 56.891 54.840 -0.029 0.000 0.745 1697 L CB -1.162 40.834 42.059 -0.105 0.000 0.892 1697 L HN 0.334 nan 8.230 nan 0.000 0.431 1698 G N -1.384 107.445 108.800 0.048 0.000 2.442 1698 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.219 1698 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.219 1698 G C 1.442 176.382 174.900 0.067 0.000 1.141 1698 G CA 0.950 46.088 45.100 0.064 0.000 0.763 1698 G HN 0.453 nan 8.290 nan 0.000 0.554 1699 E N 0.087 120.335 120.200 0.079 0.000 2.072 1699 E HA 0.018 4.368 4.350 -0.000 0.000 0.191 1699 E C 2.457 179.161 176.600 0.172 0.000 0.985 1699 E CA 0.614 57.066 56.400 0.087 0.000 0.801 1699 E CB -0.195 29.567 29.700 0.104 0.000 0.750 1699 E HN 0.506 nan 8.360 nan 0.000 0.452 1700 I N -0.573 120.128 120.570 0.219 0.000 2.353 1700 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 1700 I C 2.012 178.362 176.117 0.388 0.000 1.119 1700 I CA 0.347 61.856 61.300 0.347 0.000 1.417 1700 I CB 0.043 38.184 38.000 0.235 0.000 1.078 1700 I HN 0.024 nan 8.210 nan 0.000 0.421 1701 V N 0.406 120.469 119.914 0.249 0.000 2.594 1701 V HA -0.290 3.830 4.120 -0.000 0.000 0.253 1701 V C 2.201 178.438 176.094 0.238 0.000 1.069 1701 V CA 1.715 64.169 62.300 0.258 0.000 1.082 1701 V CB -0.535 31.353 31.823 0.108 0.000 0.680 1701 V HN 0.486 nan 8.190 nan 0.000 0.469 1702 Q N -1.805 118.066 119.800 0.119 0.000 2.488 1702 Q HA -0.097 4.243 4.340 -0.000 0.000 0.211 1702 Q C 1.448 177.375 176.000 -0.121 0.000 0.967 1702 Q CA 0.869 56.663 55.803 -0.014 0.000 0.926 1702 Q CB 0.043 28.711 28.738 -0.116 0.000 0.992 1702 Q HN 0.723 nan 8.270 nan 0.000 0.506 1703 Y N -1.558 118.771 120.300 0.049 0.000 2.466 1703 Y HA 0.065 4.615 4.550 -0.000 0.000 0.272 1703 Y C -0.303 175.308 175.900 -0.481 0.000 1.169 1703 Y CA 0.178 58.173 58.100 -0.174 0.000 1.285 1703 Y CB 0.555 38.903 38.460 -0.187 0.000 1.078 1703 Y HN -0.020 nan 8.280 nan 0.000 0.523 1704 Y N -1.924 118.481 120.300 0.175 0.000 2.536 1704 Y HA 0.278 4.828 4.550 -0.000 0.000 0.347 1704 Y C 1.276 177.244 175.900 0.114 0.000 1.000 1704 Y CA -0.972 57.202 58.100 0.124 0.000 1.051 1704 Y CB 1.632 40.176 38.460 0.141 0.000 1.259 1704 Y HN -0.269 nan 8.280 nan 0.000 0.468 1705 T N -1.309 113.348 114.554 0.171 0.000 3.031 1705 T HA 0.078 4.428 4.350 -0.000 0.000 0.254 1705 T C -0.096 174.821 174.700 0.361 0.000 1.060 1705 T CA 0.705 62.901 62.100 0.161 0.000 1.135 1705 T CB -0.173 68.671 68.868 -0.040 0.000 0.896 1705 T HN 0.532 nan 8.240 nan 0.000 0.472 1706 H N 0.020 119.243 119.070 0.254 0.000 2.569 1706 H HA 0.528 5.084 4.556 -0.000 0.000 0.357 1706 H C -0.823 174.704 175.328 0.330 0.000 1.153 1706 H CA -1.489 54.678 56.048 0.198 0.000 1.193 1706 H CB 1.689 31.420 29.762 -0.051 0.000 1.602 1706 H HN 0.345 nan 8.280 nan 0.000 0.523 1707 W N 1.224 122.661 121.300 0.229 0.000 3.029 1707 W HA 0.716 5.376 4.660 -0.000 0.000 0.339 1707 W C -1.655 174.659 176.519 -0.342 0.000 1.198 1707 W CA -1.052 56.250 57.345 -0.071 0.000 1.148 1707 W CB 1.813 31.228 29.460 -0.074 0.000 1.451 1707 W HN 0.577 nan 8.180 nan 0.000 0.564 1708 S N 0.223 115.449 115.700 -0.789 0.000 2.567 1708 S HA 0.728 5.198 4.470 -0.000 0.000 0.270 1708 S C -0.401 173.395 174.600 -1.339 0.000 1.152 1708 S CA 0.576 57.749 58.200 -1.712 0.000 0.835 1708 S CB 0.960 62.952 63.200 -2.013 0.000 1.115 1708 S HN 2.035 nan 8.310 nan 0.000 0.459 1709 G N 1.587 109.553 108.800 -1.391 0.000 2.434 1709 G HA2 0.132 4.092 3.960 -0.000 0.000 0.671 1709 G HA3 0.132 4.092 3.960 -0.000 0.000 0.671 1709 G C -0.925 174.110 174.900 0.224 0.000 1.280 1709 G CA -0.264 44.576 45.100 -0.434 0.000 0.975 1709 G HN 1.194 nan 8.290 nan 0.000 0.510 1710 S N -0.610 115.274 115.700 0.306 0.000 2.608 1710 S HA 0.787 5.257 4.470 -0.000 0.000 0.291 1710 S C 0.280 175.042 174.600 0.270 0.000 1.146 1710 S CA -0.611 57.774 58.200 0.308 0.000 1.043 1710 S CB 1.424 64.734 63.200 0.184 0.000 1.037 1710 S HN 0.653 nan 8.310 nan 0.000 0.520 1711 L N 1.805 123.124 121.223 0.161 0.000 2.334 1711 L HA 0.601 4.941 4.340 -0.000 0.000 0.272 1711 L C 0.333 177.222 176.870 0.032 0.000 1.020 1711 L CA -0.718 54.142 54.840 0.034 0.000 0.812 1711 L CB 1.153 43.194 42.059 -0.029 0.000 1.264 1711 L HN 0.471 nan 8.230 nan 0.000 0.439 1712 R N 1.727 122.237 120.500 0.016 0.000 2.288 1712 R HA 0.381 4.721 4.340 -0.000 0.000 0.326 1712 R C -1.666 174.708 176.300 0.123 0.000 0.959 1712 R CA -0.505 55.622 56.100 0.045 0.000 0.834 1712 R CB 0.943 31.235 30.300 -0.014 0.000 1.157 1712 R HN 0.440 nan 8.270 nan 0.000 0.470 1713 F N 3.133 123.089 119.950 0.011 0.000 2.402 1713 F HA 0.436 4.963 4.527 -0.000 0.000 0.355 1713 F C -0.916 174.910 175.800 0.044 0.000 1.123 1713 F CA -0.184 57.855 58.000 0.064 0.000 1.021 1713 F CB 1.585 40.648 39.000 0.104 0.000 1.160 1713 F HN 0.329 nan 8.300 nan 0.000 0.451 1714 S N 5.644 121.026 115.700 -0.530 0.000 2.578 1714 S HA 0.790 5.260 4.470 -0.000 0.000 0.301 1714 S C -1.632 172.690 174.600 -0.463 0.000 1.091 1714 S CA -0.605 57.340 58.200 -0.425 0.000 1.032 1714 S CB 1.844 64.840 63.200 -0.340 0.000 1.064 1714 S HN 0.542 nan 8.310 nan 0.000 0.508 1715 L N 2.468 123.488 121.223 -0.338 0.000 2.438 1715 L HA 0.564 4.904 4.340 -0.000 0.000 0.270 1715 L C -0.928 175.921 176.870 -0.034 0.000 0.972 1715 L CA -0.157 54.587 54.840 -0.160 0.000 0.831 1715 L CB 1.706 43.643 42.059 -0.203 0.000 1.273 1715 L HN 0.735 nan 8.230 nan 0.000 0.405 1716 M N 3.880 123.661 119.600 0.301 0.000 2.243 1716 M HA 0.357 4.837 4.480 -0.000 0.000 0.324 1716 M C -1.687 174.912 176.300 0.498 0.000 1.031 1716 M CA -0.756 54.775 55.300 0.385 0.000 0.949 1716 M CB 1.488 34.319 32.600 0.385 0.000 1.615 1716 M HN 0.630 nan 8.290 nan 0.000 0.430 1717 Y N 3.329 123.905 120.300 0.461 0.000 2.319 1717 Y HA 0.287 4.837 4.550 -0.000 0.000 0.328 1717 Y C 0.813 176.835 175.900 0.203 0.000 1.133 1717 Y CA 0.648 58.934 58.100 0.311 0.000 1.265 1717 Y CB 1.101 39.677 38.460 0.194 0.000 1.218 1717 Y HN 0.761 nan 8.280 nan 0.000 0.508 1718 T N 1.301 115.597 114.554 -0.430 0.000 3.145 1718 T HA 0.392 4.742 4.350 -0.000 0.000 0.281 1718 T C 0.673 175.109 174.700 -0.440 0.000 1.003 1718 T CA 0.032 61.965 62.100 -0.278 0.000 0.901 1718 T CB -0.413 68.418 68.868 -0.060 0.000 1.112 1718 T HN 0.757 nan 8.240 nan 0.000 0.535 1719 G N 2.342 110.495 108.800 -1.079 0.000 2.621 1719 G HA2 0.554 4.514 3.960 -0.000 0.000 0.271 1719 G HA3 0.554 4.514 3.960 -0.000 0.000 0.271 1719 G C -2.537 172.312 174.900 -0.086 0.000 1.236 1719 G CA -1.426 43.353 45.100 -0.536 0.000 0.958 1719 G HN 0.203 nan 8.290 nan 0.000 0.512 1720 P HA 0.183 nan 4.420 nan 0.000 0.268 1720 P C 0.663 178.047 177.300 0.139 0.000 1.208 1720 P CA 0.440 63.587 63.100 0.078 0.000 0.777 1720 P CB 0.805 32.543 31.700 0.064 0.000 0.875 1721 A N 2.457 125.336 122.820 0.098 0.000 1.969 1721 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 1721 A C 1.719 179.348 177.584 0.075 0.000 1.169 1721 A CA 1.299 53.395 52.037 0.097 0.000 0.635 1721 A CB -1.131 17.909 19.000 0.068 0.000 0.810 1721 A HN 0.547 nan 8.150 nan 0.000 0.445 1722 L N 0.892 122.152 121.223 0.061 0.000 2.627 1722 L HA 0.060 4.400 4.340 -0.000 0.000 0.232 1722 L C 0.919 177.811 176.870 0.037 0.000 1.150 1722 L CA 0.041 54.905 54.840 0.040 0.000 0.917 1722 L CB -0.318 41.759 42.059 0.030 0.000 1.104 1722 L HN 0.488 nan 8.230 nan 0.000 0.445 1723 S N -1.113 114.625 115.700 0.064 0.000 2.722 1723 S HA 0.737 5.206 4.470 -0.000 0.000 0.292 1723 S C -0.016 174.566 174.600 -0.029 0.000 1.135 1723 S CA -0.505 57.724 58.200 0.049 0.000 1.003 1723 S CB 2.117 65.398 63.200 0.134 0.000 1.067 1723 S HN 0.156 nan 8.310 nan 0.000 0.546 1724 S N -0.597 115.052 115.700 -0.085 0.000 2.579 1724 S HA 0.930 5.400 4.470 -0.000 0.000 0.272 1724 S C -0.812 173.659 174.600 -0.216 0.000 1.141 1724 S CA -0.481 57.614 58.200 -0.174 0.000 0.843 1724 S CB 1.179 64.314 63.200 -0.108 0.000 1.122 1724 S HN 2.127 nan 8.310 nan 0.000 0.468 1725 A N 0.996 123.639 122.820 -0.296 0.000 2.583 1725 A HA 0.768 5.088 4.320 -0.000 0.000 0.292 1725 A C -1.829 175.585 177.584 -0.284 0.000 1.045 1725 A CA -0.946 50.939 52.037 -0.253 0.000 0.672 1725 A CB 1.180 20.006 19.000 -0.290 0.000 1.283 1725 A HN 0.783 nan 8.150 nan 0.000 0.419 1726 K N 0.936 121.250 120.400 -0.145 0.000 2.507 1726 K HA 0.704 5.024 4.320 -0.000 0.000 0.252 1726 K C -1.429 175.171 176.600 0.000 0.000 0.943 1726 K CA -0.242 55.985 56.287 -0.100 0.000 0.808 1726 K CB 1.868 34.355 32.500 -0.022 0.000 1.142 1726 K HN 0.593 nan 8.250 nan 0.000 0.426 1727 L N 3.542 124.783 121.223 0.031 0.000 2.323 1727 L HA 0.638 4.978 4.340 -0.000 0.000 0.265 1727 L C -0.534 176.482 176.870 0.243 0.000 1.012 1727 L CA -1.218 53.705 54.840 0.138 0.000 0.820 1727 L CB 1.966 44.126 42.059 0.169 0.000 1.334 1727 L HN 0.591 nan 8.230 nan 0.000 0.427 1728 I N 2.122 122.835 120.570 0.238 0.000 2.411 1728 I HA 0.367 4.537 4.170 -0.000 0.000 0.284 1728 I C -1.388 174.907 176.117 0.297 0.000 1.012 1728 I CA -0.621 60.843 61.300 0.273 0.000 1.119 1728 I CB 1.144 39.266 38.000 0.202 0.000 1.261 1728 I HN 0.361 nan 8.210 nan 0.000 0.448 1729 L N 7.986 129.393 121.223 0.305 0.000 2.292 1729 L HA 0.722 5.062 4.340 -0.000 0.000 0.284 1729 L C 0.210 177.258 176.870 0.297 0.000 1.065 1729 L CA 0.079 55.081 54.840 0.271 0.000 0.806 1729 L CB 1.329 43.578 42.059 0.316 0.000 1.175 1729 L HN 0.691 nan 8.230 nan 0.000 0.431 1730 A N 3.016 125.998 122.820 0.270 0.000 2.371 1730 A HA 0.642 4.962 4.320 -0.000 0.000 0.311 1730 A C -1.738 176.022 177.584 0.293 0.000 1.068 1730 A CA -0.494 51.717 52.037 0.289 0.000 0.744 1730 A CB 0.976 20.131 19.000 0.258 0.000 1.239 1730 A HN 0.522 nan 8.150 nan 0.000 0.435 1731 Y N 1.753 122.146 120.300 0.154 0.000 2.328 1731 Y HA 0.609 5.159 4.550 -0.000 0.000 0.337 1731 Y C -0.497 175.482 175.900 0.131 0.000 0.966 1731 Y CA -0.785 57.389 58.100 0.124 0.000 1.136 1731 Y CB 1.563 40.081 38.460 0.097 0.000 1.170 1731 Y HN 0.500 nan 8.280 nan 0.000 0.470 1732 T N 9.766 124.199 114.554 -0.201 0.000 2.770 1732 T HA 0.359 4.709 4.350 -0.000 0.000 0.297 1732 T C -2.682 171.782 174.700 -0.393 0.000 0.997 1732 T CA -1.415 60.543 62.100 -0.236 0.000 0.949 1732 T CB 1.032 69.950 68.868 0.082 0.000 0.941 1732 T HN 0.447 nan 8.240 nan 0.000 0.457 1733 P HA 0.155 nan 4.420 nan 0.000 0.269 1733 P C -2.288 174.952 177.300 -0.100 0.000 1.217 1733 P CA -1.177 61.707 63.100 -0.360 0.000 0.783 1733 P CB -0.273 31.257 31.700 -0.284 0.000 0.898 1734 P HA 0.084 nan 4.420 nan 0.000 0.269 1734 P C 0.685 177.999 177.300 0.023 0.000 1.215 1734 P CA 0.595 63.700 63.100 0.009 0.000 0.780 1734 P CB 0.485 32.154 31.700 -0.051 0.000 0.898 1735 G N 0.386 109.232 108.800 0.076 0.000 2.909 1735 G HA2 0.001 3.961 3.960 -0.000 0.000 0.198 1735 G HA3 0.001 3.961 3.960 -0.000 0.000 0.198 1735 G C -0.050 174.883 174.900 0.055 0.000 1.124 1735 G CA 0.148 45.275 45.100 0.045 0.000 0.796 1735 G HN 0.863 nan 8.290 nan 0.000 0.489 1736 A N 0.970 123.825 122.820 0.058 0.000 2.324 1736 A HA 0.848 5.168 4.320 -0.000 0.000 0.330 1736 A C 0.587 178.188 177.584 0.028 0.000 1.165 1736 A CA 0.358 52.408 52.037 0.023 0.000 0.813 1736 A CB 0.790 19.781 19.000 -0.015 0.000 1.197 1736 A HN 1.228 nan 8.150 nan 0.000 0.484 1737 R N 1.669 122.131 120.500 -0.063 0.000 2.995 1737 R HA 0.432 4.772 4.340 -0.000 0.000 0.287 1737 R C 0.750 176.644 176.300 -0.675 0.000 1.168 1737 R CA 0.240 56.175 56.100 -0.275 0.000 1.183 1737 R CB -0.661 29.528 30.300 -0.185 0.000 1.157 1737 R HN 0.790 nan 8.270 nan 0.000 0.577 1738 G N 0.175 108.238 108.800 -1.229 0.000 2.432 1738 G HA2 0.288 4.248 3.960 -0.000 0.000 0.239 1738 G HA3 0.288 4.248 3.960 -0.000 0.000 0.239 1738 G C -2.223 172.493 174.900 -0.306 0.000 1.291 1738 G CA -1.212 43.308 45.100 -0.966 0.000 0.863 1738 G HN 0.415 nan 8.290 nan 0.000 0.560 1739 P HA 0.066 nan 4.420 nan 0.000 0.265 1739 P C 0.456 177.836 177.300 0.134 0.000 1.193 1739 P CA -0.027 63.082 63.100 0.015 0.000 0.765 1739 P CB 0.931 32.694 31.700 0.106 0.000 0.823 1740 Q N 1.362 121.184 119.800 0.037 0.000 2.396 1740 Q HA 0.083 4.423 4.340 -0.000 0.000 0.209 1740 Q C 0.013 176.081 176.000 0.113 0.000 0.906 1740 Q CA 0.967 56.834 55.803 0.108 0.000 0.927 1740 Q CB 0.077 28.829 28.738 0.025 0.000 1.069 1740 Q HN 0.672 nan 8.270 nan 0.000 0.523 1741 D N -2.558 117.717 120.400 -0.208 0.000 2.596 1741 D HA 0.220 4.860 4.640 -0.000 0.000 0.262 1741 D C 0.364 175.951 176.300 -1.189 0.000 1.210 1741 D CA -0.776 52.915 54.000 -0.515 0.000 0.873 1741 D CB 1.046 41.704 40.800 -0.236 0.000 1.408 1741 D HN -0.258 nan 8.370 nan 0.000 0.441 1742 R N -0.173 119.580 120.500 -1.244 0.000 2.105 1742 R HA -0.125 4.214 4.340 -0.000 0.000 0.239 1742 R C 1.979 177.858 176.300 -0.702 0.000 1.135 1742 R CA 1.253 56.619 56.100 -1.223 0.000 0.967 1742 R CB -0.023 29.931 30.300 -0.578 0.000 0.861 1742 R HN 0.528 nan 8.270 nan 0.000 0.442 1743 R N 0.458 120.684 120.500 -0.457 0.000 2.081 1743 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 1743 R C 1.957 178.082 176.300 -0.291 0.000 1.131 1743 R CA 1.840 57.760 56.100 -0.301 0.000 0.960 1743 R CB -0.119 30.058 30.300 -0.203 0.000 0.856 1743 R HN 0.344 nan 8.270 nan 0.000 0.436 1744 E N -0.492 119.516 120.200 -0.320 0.000 2.072 1744 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 1744 E C 1.789 178.243 176.600 -0.244 0.000 0.985 1744 E CA 1.039 57.295 56.400 -0.240 0.000 0.801 1744 E CB -0.015 29.560 29.700 -0.207 0.000 0.750 1744 E HN 0.455 nan 8.360 nan 0.000 0.452 1745 A N 1.658 124.257 122.820 -0.368 0.000 1.898 1745 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 1745 A C 2.176 179.610 177.584 -0.250 0.000 1.181 1745 A CA 1.472 53.355 52.037 -0.257 0.000 0.620 1745 A CB -0.572 18.235 19.000 -0.322 0.000 0.819 1745 A HN 0.384 nan 8.150 nan 0.000 0.442 1746 M N 0.014 119.376 119.600 -0.396 0.000 2.346 1746 M HA -0.094 4.386 4.480 -0.000 0.000 0.263 1746 M C 1.385 177.524 176.300 -0.268 0.000 1.064 1746 M CA 1.653 56.633 55.300 -0.533 0.000 1.083 1746 M CB -0.837 31.482 32.600 -0.469 0.000 1.399 1746 M HN 0.411 nan 8.290 nan 0.000 0.435 1747 L N -0.077 121.059 121.223 -0.146 0.000 2.376 1747 L HA 0.067 4.407 4.340 -0.000 0.000 0.219 1747 L C 1.593 178.468 176.870 0.009 0.000 1.133 1747 L CA 0.258 55.067 54.840 -0.051 0.000 0.816 1747 L CB -0.768 41.249 42.059 -0.070 0.000 0.933 1747 L HN 0.384 nan 8.230 nan 0.000 0.449 1748 G N -1.114 107.700 108.800 0.024 0.000 2.702 1748 G HA2 0.267 4.227 3.960 -0.000 0.000 0.254 1748 G HA3 0.267 4.227 3.960 -0.000 0.000 0.254 1748 G C -0.545 174.453 174.900 0.162 0.000 1.380 1748 G CA -0.335 44.788 45.100 0.038 0.000 1.042 1748 G HN -0.117 nan 8.290 nan 0.000 0.557 1749 T N 1.382 115.999 114.554 0.105 0.000 2.853 1749 T HA 0.386 4.736 4.350 -0.000 0.000 0.298 1749 T C -0.079 174.780 174.700 0.265 0.000 0.978 1749 T CA 0.467 62.667 62.100 0.166 0.000 1.152 1749 T CB -0.292 68.716 68.868 0.233 0.000 0.914 1749 T HN 0.693 nan 8.240 nan 0.000 0.539 1750 H N -0.125 119.015 119.070 0.116 0.000 3.017 1750 H HA 0.679 5.235 4.556 -0.000 0.000 0.346 1750 H C -2.011 173.392 175.328 0.124 0.000 1.286 1750 H CA -1.046 55.080 56.048 0.130 0.000 1.120 1750 H CB 0.910 30.735 29.762 0.105 0.000 1.860 1750 H HN 0.334 nan 8.280 nan 0.000 0.542 1751 V N 1.748 121.801 119.914 0.231 0.000 2.623 1751 V HA 0.224 4.344 4.120 -0.000 0.000 0.304 1751 V C -0.266 175.995 176.094 0.277 0.000 1.054 1751 V CA -0.874 61.526 62.300 0.168 0.000 0.882 1751 V CB 1.877 33.788 31.823 0.147 0.000 1.002 1751 V HN 0.596 nan 8.190 nan 0.000 0.424 1752 V N 4.360 124.425 119.914 0.252 0.000 2.385 1752 V HA 0.310 4.430 4.120 -0.000 0.000 0.269 1752 V C -0.621 175.655 176.094 0.303 0.000 1.043 1752 V CA -0.387 62.074 62.300 0.269 0.000 0.906 1752 V CB 1.137 33.087 31.823 0.213 0.000 0.995 1752 V HN 0.882 nan 8.190 nan 0.000 0.467 1753 W N 5.995 127.356 121.300 0.100 0.000 2.349 1753 W HA 0.545 5.205 4.660 -0.000 0.000 0.309 1753 W C -0.460 176.087 176.519 0.047 0.000 1.083 1753 W CA -1.551 55.840 57.345 0.077 0.000 1.224 1753 W CB 1.157 30.674 29.460 0.095 0.000 1.256 1753 W HN 0.617 nan 8.180 nan 0.000 0.461 1754 D N 5.584 126.078 120.400 0.157 0.000 2.373 1754 D HA 0.234 4.874 4.640 -0.000 0.000 0.227 1754 D C -0.605 175.525 176.300 -0.283 0.000 1.091 1754 D CA -0.372 53.566 54.000 -0.104 0.000 0.840 1754 D CB 0.596 41.403 40.800 0.013 0.000 1.060 1754 D HN 0.195 nan 8.370 nan 0.000 0.502 1755 I N 3.666 123.866 120.570 -0.616 0.000 2.598 1755 I HA 0.434 4.604 4.170 -0.000 0.000 0.284 1755 I C 1.312 177.287 176.117 -0.237 0.000 1.140 1755 I CA 0.861 61.804 61.300 -0.596 0.000 1.420 1755 I CB 0.999 38.429 38.000 -0.950 0.000 1.387 1755 I HN 0.535 nan 8.210 nan 0.000 0.553 1756 G N 4.539 113.306 108.800 -0.054 0.000 2.793 1756 G HA2 0.322 4.282 3.960 -0.000 0.000 0.248 1756 G HA3 0.322 4.282 3.960 -0.000 0.000 0.248 1756 G C 0.480 175.419 174.900 0.065 0.000 1.198 1756 G CA -0.697 44.405 45.100 0.003 0.000 0.865 1756 G HN 0.417 nan 8.290 nan 0.000 0.534 1757 L N 0.338 121.599 121.223 0.063 0.000 2.081 1757 L HA -0.046 4.294 4.340 -0.000 0.000 0.212 1757 L C 1.226 178.152 176.870 0.093 0.000 1.080 1757 L CA 1.158 56.040 54.840 0.071 0.000 0.754 1757 L CB -0.316 41.774 42.059 0.053 0.000 0.893 1757 L HN 0.354 nan 8.230 nan 0.000 0.433 1758 Q N 0.093 119.958 119.800 0.108 0.000 2.337 1758 Q HA 0.062 4.402 4.340 -0.000 0.000 0.255 1758 Q C 1.141 177.263 176.000 0.204 0.000 0.997 1758 Q CA 0.184 56.061 55.803 0.123 0.000 0.925 1758 Q CB 1.282 30.082 28.738 0.104 0.000 1.212 1758 Q HN 0.263 nan 8.270 nan 0.000 0.436 1759 S N 1.210 117.030 115.700 0.200 0.000 2.489 1759 S HA -0.011 4.459 4.470 -0.000 0.000 0.228 1759 S C 0.659 175.488 174.600 0.383 0.000 0.995 1759 S CA 0.143 58.528 58.200 0.308 0.000 0.934 1759 S CB 0.280 63.627 63.200 0.246 0.000 0.771 1759 S HN 0.459 nan 8.310 nan 0.000 0.522 1760 T N 2.219 116.878 114.554 0.175 0.000 2.829 1760 T HA 0.667 5.017 4.350 -0.000 0.000 0.280 1760 T C -1.018 173.535 174.700 -0.245 0.000 0.999 1760 T CA -0.540 61.538 62.100 -0.037 0.000 0.983 1760 T CB 1.744 70.526 68.868 -0.143 0.000 0.968 1760 T HN 0.241 nan 8.240 nan 0.000 0.446 1761 I N 2.895 123.062 120.570 -0.671 0.000 2.441 1761 I HA 0.548 4.718 4.170 -0.000 0.000 0.295 1761 I C -0.997 174.848 176.117 -0.453 0.000 0.994 1761 I CA -0.806 60.058 61.300 -0.727 0.000 1.144 1761 I CB 1.497 38.622 38.000 -1.459 0.000 1.314 1761 I HN 0.419 nan 8.210 nan 0.000 0.445 1762 V N 8.438 128.195 119.914 -0.261 0.000 2.266 1762 V HA 0.330 4.450 4.120 -0.000 0.000 0.271 1762 V C 0.119 176.178 176.094 -0.059 0.000 1.032 1762 V CA -0.574 61.629 62.300 -0.161 0.000 0.806 1762 V CB 0.653 32.397 31.823 -0.132 0.000 1.052 1762 V HN 0.835 nan 8.190 nan 0.000 0.449 1763 M N 3.495 123.106 119.600 0.018 0.000 2.250 1763 M HA 0.508 4.988 4.480 -0.000 0.000 0.344 1763 M C -0.073 176.304 176.300 0.129 0.000 1.150 1763 M CA 0.762 56.130 55.300 0.113 0.000 1.147 1763 M CB 1.496 34.234 32.600 0.231 0.000 1.498 1763 M HN 0.483 nan 8.290 nan 0.000 0.461 1764 T N 4.661 119.272 114.554 0.096 0.000 2.855 1764 T HA 0.594 4.944 4.350 -0.000 0.000 0.281 1764 T C -0.578 174.144 174.700 0.036 0.000 1.007 1764 T CA -0.668 61.474 62.100 0.071 0.000 1.009 1764 T CB 0.558 69.458 68.868 0.053 0.000 0.983 1764 T HN 0.644 nan 8.240 nan 0.000 0.455 1765 I N 6.992 127.540 120.570 -0.037 0.000 2.316 1765 I HA 0.277 4.447 4.170 -0.000 0.000 0.286 1765 I C -2.139 173.899 176.117 -0.132 0.000 1.107 1765 I CA -2.231 58.903 61.300 -0.278 0.000 1.219 1765 I CB 1.087 38.836 38.000 -0.420 0.000 1.455 1765 I HN 0.378 nan 8.210 nan 0.000 0.498 1766 P HA -0.158 nan 4.420 nan 0.000 0.265 1766 P C -0.313 177.095 177.300 0.180 0.000 1.193 1766 P CA -0.218 62.955 63.100 0.121 0.000 0.765 1766 P CB 0.426 32.210 31.700 0.141 0.000 0.823 1767 W N 4.727 126.035 121.300 0.014 0.000 2.774 1767 W HA 0.030 4.690 4.660 -0.000 0.000 0.353 1767 W C -1.145 175.369 176.519 -0.007 0.000 1.373 1767 W CA 0.376 57.706 57.345 -0.025 0.000 1.432 1767 W CB -0.148 29.256 29.460 -0.092 0.000 1.545 1767 W HN 0.249 nan 8.180 nan 0.000 0.531 1768 T N 5.252 119.567 114.554 -0.398 0.000 3.060 1768 T HA 0.253 4.603 4.350 -0.000 0.000 0.367 1768 T C -0.558 173.745 174.700 -0.662 0.000 1.229 1768 T CA -0.250 61.630 62.100 -0.366 0.000 1.104 1768 T CB 1.094 69.931 68.868 -0.051 0.000 1.083 1768 T HN 0.314 nan 8.240 nan 0.000 0.524 1769 S N 1.113 116.309 115.700 -0.840 0.000 2.547 1769 S HA 0.679 5.149 4.470 -0.000 0.000 0.270 1769 S C 1.075 175.425 174.600 -0.418 0.000 1.150 1769 S CA -0.196 57.549 58.200 -0.759 0.000 0.850 1769 S CB 1.358 63.745 63.200 -1.355 0.000 1.118 1769 S HN 0.567 nan 8.310 nan 0.000 0.461 1770 G N 1.341 109.984 108.800 -0.261 0.000 2.473 1770 G HA2 0.151 4.111 3.960 -0.000 0.000 0.212 1770 G HA3 0.151 4.111 3.960 -0.000 0.000 0.212 1770 G C 0.629 175.477 174.900 -0.086 0.000 1.211 1770 G CA 0.720 45.737 45.100 -0.139 0.000 0.813 1770 G HN 0.864 nan 8.290 nan 0.000 0.541 1771 V N 2.450 122.316 119.914 -0.081 0.000 2.655 1771 V HA 0.081 4.201 4.120 -0.000 0.000 0.300 1771 V C 1.593 177.716 176.094 0.049 0.000 1.044 1771 V CA 0.069 62.355 62.300 -0.023 0.000 1.095 1771 V CB 1.457 33.258 31.823 -0.036 0.000 0.952 1771 V HN 0.613 nan 8.190 nan 0.000 0.485 1772 Q N 5.351 125.205 119.800 0.090 0.000 2.488 1772 Q HA 0.035 4.375 4.340 -0.000 0.000 0.211 1772 Q C -0.368 175.545 176.000 -0.145 0.000 0.967 1772 Q CA 0.985 56.842 55.803 0.089 0.000 0.926 1772 Q CB -0.075 28.674 28.738 0.019 0.000 0.992 1772 Q HN 0.605 nan 8.270 nan 0.000 0.506 1773 F N -0.139 119.784 119.950 -0.045 0.000 2.613 1773 F HA 0.524 5.051 4.527 -0.000 0.000 0.310 1773 F C 0.170 175.805 175.800 -0.275 0.000 1.085 1773 F CA -0.975 56.877 58.000 -0.248 0.000 0.945 1773 F CB 2.024 40.807 39.000 -0.361 0.000 1.298 1773 F HN -0.291 nan 8.300 nan 0.000 0.455 1774 R N 0.549 120.920 120.500 -0.216 0.000 2.892 1774 R HA 0.489 4.829 4.340 -0.000 0.000 0.265 1774 R C -1.640 174.605 176.300 -0.092 0.000 1.025 1774 R CA -1.195 54.753 56.100 -0.254 0.000 0.982 1774 R CB 2.010 32.086 30.300 -0.373 0.000 1.185 1774 R HN 0.510 nan 8.270 nan 0.000 0.484 1775 Y N -0.067 120.373 120.300 0.233 0.000 2.309 1775 Y HA 0.035 4.585 4.550 -0.000 0.000 0.327 1775 Y C 1.720 177.946 175.900 0.542 0.000 1.172 1775 Y CA 0.392 58.713 58.100 0.369 0.000 1.280 1775 Y CB 1.341 39.971 38.460 0.284 0.000 1.234 1775 Y HN 0.600 nan 8.280 nan 0.000 0.512 1776 T N 0.451 115.420 114.554 0.692 0.000 2.985 1776 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 1776 T C 0.086 175.009 174.700 0.373 0.000 1.076 1776 T CA 0.658 63.069 62.100 0.519 0.000 1.135 1776 T CB -0.367 68.733 68.868 0.387 0.000 0.890 1776 T HN 0.572 nan 8.240 nan 0.000 0.480 1777 D N 1.985 122.596 120.400 0.353 0.000 2.472 1777 D HA -0.000 4.640 4.640 -0.000 0.000 0.248 1777 D C -1.249 175.175 176.300 0.208 0.000 1.174 1777 D CA -1.715 52.406 54.000 0.202 0.000 0.883 1777 D CB 1.174 42.037 40.800 0.106 0.000 1.149 1777 D HN 0.118 nan 8.370 nan 0.000 0.488 1778 P HA -0.028 nan 4.420 nan 0.000 0.227 1778 P C -0.037 177.073 177.300 -0.316 0.000 1.161 1778 P CA 0.398 63.441 63.100 -0.095 0.000 0.788 1778 P CB 0.330 31.946 31.700 -0.141 0.000 0.822 1779 D N -0.013 120.288 120.400 -0.165 0.000 2.494 1779 D HA 0.061 4.701 4.640 -0.000 0.000 0.249 1779 D C 0.285 176.482 176.300 -0.171 0.000 1.223 1779 D CA 0.590 54.472 54.000 -0.197 0.000 0.865 1779 D CB -0.604 40.107 40.800 -0.149 0.000 0.974 1779 D HN 0.103 nan 8.370 nan 0.000 0.491 1780 T N -1.042 113.480 114.554 -0.053 0.000 2.944 1780 T HA 0.160 4.510 4.350 -0.000 0.000 0.284 1780 T C 1.052 175.824 174.700 0.120 0.000 1.010 1780 T CA -0.559 61.588 62.100 0.078 0.000 1.025 1780 T CB 1.006 70.061 68.868 0.312 0.000 1.079 1780 T HN -0.001 nan 8.240 nan 0.000 0.516 1781 Y N 1.021 121.446 120.300 0.209 0.000 2.200 1781 Y HA 0.046 4.596 4.550 -0.000 0.000 0.290 1781 Y C 1.685 177.756 175.900 0.285 0.000 1.137 1781 Y CA 0.691 58.913 58.100 0.203 0.000 1.163 1781 Y CB 0.218 38.758 38.460 0.132 0.000 0.988 1781 Y HN 0.426 nan 8.280 nan 0.000 0.518 1782 T N -0.924 113.877 114.554 0.412 0.000 2.903 1782 T HA 0.477 4.827 4.350 -0.000 0.000 0.299 1782 T C -0.312 174.362 174.700 -0.043 0.000 1.093 1782 T CA -0.598 61.613 62.100 0.185 0.000 1.002 1782 T CB 1.919 70.855 68.868 0.114 0.000 1.127 1782 T HN 0.132 nan 8.240 nan 0.000 0.488 1783 S N 0.867 116.289 115.700 -0.464 0.000 2.788 1783 S HA 0.769 5.239 4.470 -0.000 0.000 0.291 1783 S C 1.735 176.186 174.600 -0.248 0.000 1.061 1783 S CA -0.046 57.816 58.200 -0.563 0.000 0.923 1783 S CB 0.346 62.708 63.200 -1.397 0.000 1.339 1783 S HN 0.766 nan 8.310 nan 0.000 0.591 1784 A N -0.313 122.443 122.820 -0.107 0.000 2.119 1784 A HA 0.539 4.859 4.320 -0.000 0.000 0.217 1784 A C 1.408 179.020 177.584 0.045 0.000 1.153 1784 A CA 1.326 53.391 52.037 0.046 0.000 0.692 1784 A CB -1.454 17.691 19.000 0.242 0.000 0.799 1784 A HN 2.065 nan 8.150 nan 0.000 0.458 1785 G N -2.279 106.403 108.800 -0.198 0.000 2.217 1785 G HA2 0.219 4.179 3.960 -0.000 0.000 0.173 1785 G HA3 0.219 4.179 3.960 -0.000 0.000 0.173 1785 G C -0.713 173.828 174.900 -0.599 0.000 1.324 1785 G CA -0.429 44.492 45.100 -0.297 0.000 1.225 1785 G HN 0.443 nan 8.290 nan 0.000 0.494 1786 F N -0.375 119.663 119.950 0.147 0.000 2.588 1786 F HA 0.857 5.384 4.527 -0.000 0.000 0.314 1786 F C -0.163 175.770 175.800 0.223 0.000 1.069 1786 F CA -0.879 57.217 58.000 0.160 0.000 0.931 1786 F CB 2.251 41.317 39.000 0.110 0.000 1.260 1786 F HN 0.523 nan 8.300 nan 0.000 0.465 1787 L N 2.074 123.518 121.223 0.370 0.000 2.408 1787 L HA 0.840 5.180 4.340 -0.000 0.000 0.268 1787 L C -0.712 176.264 176.870 0.177 0.000 0.986 1787 L CA -0.150 54.836 54.840 0.244 0.000 0.820 1787 L CB 1.895 44.021 42.059 0.112 0.000 1.303 1787 L HN 0.706 nan 8.230 nan 0.000 0.411 1788 S N 3.047 118.773 115.700 0.044 0.000 2.570 1788 S HA 0.728 5.198 4.470 -0.000 0.000 0.270 1788 S C -1.315 172.960 174.600 -0.542 0.000 1.149 1788 S CA -0.820 57.216 58.200 -0.273 0.000 0.837 1788 S CB 1.378 64.569 63.200 -0.016 0.000 1.124 1788 S HN 0.869 nan 8.310 nan 0.000 0.465 1789 C N 2.006 120.607 119.300 -1.165 0.000 2.547 1789 C HA 0.924 5.384 4.460 -0.000 0.000 0.313 1789 C C -1.912 172.490 174.990 -0.981 0.000 1.191 1789 C CA -0.361 58.131 59.018 -0.877 0.000 1.474 1789 C CB -0.158 26.938 27.740 -1.073 0.000 2.081 1789 C HN 0.884 nan 8.230 nan 0.000 0.476 1790 W N 2.921 124.083 121.300 -0.229 0.000 2.962 1790 W HA 0.518 5.178 4.660 -0.000 0.000 0.341 1790 W C -1.105 175.316 176.519 -0.164 0.000 1.155 1790 W CA -0.740 56.496 57.345 -0.183 0.000 1.165 1790 W CB 0.384 29.794 29.460 -0.083 0.000 1.435 1790 W HN 0.543 nan 8.180 nan 0.000 0.546 1791 Y N 2.118 122.544 120.300 0.210 0.000 2.587 1791 Y HA 0.047 4.597 4.550 -0.000 0.000 0.344 1791 Y C 1.682 177.655 175.900 0.122 0.000 1.061 1791 Y CA 0.137 58.311 58.100 0.123 0.000 1.370 1791 Y CB 0.652 39.161 38.460 0.081 0.000 1.163 1791 Y HN 0.490 nan 8.280 nan 0.000 0.527 1792 Q N 1.732 121.662 119.800 0.216 0.000 2.137 1792 Q HA -0.057 4.283 4.340 -0.000 0.000 0.198 1792 Q C 0.892 176.959 176.000 0.111 0.000 0.960 1792 Q CA 2.063 57.952 55.803 0.142 0.000 0.847 1792 Q CB 0.335 29.143 28.738 0.117 0.000 0.915 1792 Q HN 0.808 nan 8.270 nan 0.000 0.448 1793 T N -1.426 113.196 114.554 0.112 0.000 3.409 1793 T HA 0.401 4.751 4.350 -0.000 0.000 0.188 1793 T C -0.622 174.115 174.700 0.062 0.000 0.929 1793 T CA 0.373 62.511 62.100 0.063 0.000 1.184 1793 T CB 0.474 69.356 68.868 0.024 0.000 1.570 1793 T HN 0.380 nan 8.240 nan 0.000 0.367 1794 S N -0.101 115.630 115.700 0.053 0.000 2.710 1794 S HA 0.404 4.874 4.470 -0.000 0.000 0.274 1794 S C -2.120 172.476 174.600 -0.006 0.000 1.029 1794 S CA -1.004 57.187 58.200 -0.014 0.000 0.864 1794 S CB 0.409 63.543 63.200 -0.111 0.000 1.103 1794 S HN 0.450 nan 8.310 nan 0.000 0.460 1795 L N 2.223 123.430 121.223 -0.026 0.000 2.281 1795 L HA 0.670 5.010 4.340 -0.000 0.000 0.285 1795 L C -0.973 175.879 176.870 -0.031 0.000 1.074 1795 L CA -0.312 54.530 54.840 0.003 0.000 0.817 1795 L CB 0.266 42.376 42.059 0.085 0.000 1.168 1795 L HN 0.688 nan 8.230 nan 0.000 0.434 1796 I N 7.097 127.650 120.570 -0.029 0.000 2.354 1796 I HA 0.277 4.447 4.170 -0.000 0.000 0.286 1796 I C -0.200 175.915 176.117 -0.003 0.000 1.007 1796 I CA -0.415 60.870 61.300 -0.024 0.000 1.167 1796 I CB 1.138 39.120 38.000 -0.030 0.000 1.320 1796 I HN 0.580 nan 8.210 nan 0.000 0.458 1797 L N 8.129 129.354 121.223 0.003 0.000 2.350 1797 L HA 0.431 4.771 4.340 -0.000 0.000 0.275 1797 L C -1.718 175.158 176.870 0.009 0.000 1.099 1797 L CA -1.517 53.333 54.840 0.017 0.000 0.808 1797 L CB 0.910 42.977 42.059 0.013 0.000 1.149 1797 L HN 0.373 nan 8.230 nan 0.000 0.442 1798 P HA 0.272 nan 4.420 nan 0.000 0.274 1798 P C -2.669 174.636 177.300 0.008 0.000 1.256 1798 P CA -1.471 61.636 63.100 0.011 0.000 0.795 1798 P CB -0.219 31.491 31.700 0.017 0.000 1.038 1799 P HA 0.025 nan 4.420 nan 0.000 0.269 1799 P C 0.116 177.419 177.300 0.006 0.000 1.215 1799 P CA 0.655 63.757 63.100 0.004 0.000 0.780 1799 P CB 0.028 31.730 31.700 0.003 0.000 0.898 1800 E N -2.209 117.994 120.200 0.004 0.000 3.628 1800 E HA -0.140 4.210 4.350 -0.000 0.000 0.309 1800 E C -0.481 176.123 176.600 0.006 0.000 0.839 1800 E CA 1.191 57.594 56.400 0.005 0.000 1.123 1800 E CB -2.416 27.288 29.700 0.006 0.000 1.568 1800 E HN 0.480 nan 8.360 nan 0.000 0.440 1801 T N 0.099 114.656 114.554 0.006 0.000 2.876 1801 T HA 0.621 4.971 4.350 -0.000 0.000 0.289 1801 T C -0.233 174.468 174.700 0.002 0.000 1.014 1801 T CA -0.038 62.066 62.100 0.006 0.000 0.986 1801 T CB 2.868 71.743 68.868 0.011 0.000 1.021 1801 T HN 0.057 nan 8.240 nan 0.000 0.458 1802 T N 0.606 115.160 114.554 -0.001 0.000 2.821 1802 T HA 0.726 5.076 4.350 -0.000 0.000 0.306 1802 T C -0.153 174.539 174.700 -0.012 0.000 1.313 1802 T CA 0.863 62.960 62.100 -0.006 0.000 1.012 1802 T CB 1.104 69.970 68.868 -0.003 0.000 1.298 1802 T HN 1.362 nan 8.240 nan 0.000 0.502 1803 G N 1.738 110.527 108.800 -0.018 0.000 2.587 1803 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.212 1803 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.212 1803 G C -0.983 173.877 174.900 -0.067 0.000 1.327 1803 G CA -0.432 44.651 45.100 -0.029 0.000 0.898 1803 G HN 0.860 nan 8.290 nan 0.000 0.551 1804 Q N -0.620 119.107 119.800 -0.121 0.000 2.230 1804 Q HA 0.591 4.931 4.340 -0.000 0.000 0.248 1804 Q C 0.610 176.351 176.000 -0.431 0.000 0.915 1804 Q CA -0.377 55.269 55.803 -0.260 0.000 0.900 1804 Q CB 2.154 30.691 28.738 -0.336 0.000 1.229 1804 Q HN 1.242 nan 8.270 nan 0.000 0.439 1805 V N -1.115 118.542 119.914 -0.428 0.000 3.096 1805 V HA 0.638 4.758 4.120 -0.000 0.000 0.319 1805 V C -1.247 174.481 176.094 -0.609 0.000 1.103 1805 V CA -0.747 61.294 62.300 -0.431 0.000 1.016 1805 V CB 1.093 32.795 31.823 -0.201 0.000 1.090 1805 V HN 0.646 nan 8.190 nan 0.000 0.449 1806 Y N 0.383 120.642 120.300 -0.068 0.000 2.536 1806 Y HA 0.783 5.333 4.550 -0.000 0.000 0.347 1806 Y C -0.224 175.679 175.900 0.005 0.000 1.000 1806 Y CA -0.931 57.164 58.100 -0.007 0.000 1.051 1806 Y CB 2.027 40.482 38.460 -0.010 0.000 1.259 1806 Y HN 0.581 nan 8.280 nan 0.000 0.468 1807 L N 2.846 124.239 121.223 0.283 0.000 2.334 1807 L HA 0.561 4.901 4.340 -0.000 0.000 0.273 1807 L C -1.306 175.661 176.870 0.162 0.000 1.013 1807 L CA -1.050 53.954 54.840 0.273 0.000 0.816 1807 L CB 1.570 43.845 42.059 0.360 0.000 1.278 1807 L HN 0.358 nan 8.230 nan 0.000 0.431 1808 L N 1.782 123.074 121.223 0.116 0.000 2.322 1808 L HA 0.464 4.804 4.340 -0.000 0.000 0.281 1808 L C 0.021 176.789 176.870 -0.169 0.000 1.014 1808 L CA 0.059 54.843 54.840 -0.093 0.000 0.815 1808 L CB 1.942 43.902 42.059 -0.165 0.000 1.247 1808 L HN 0.641 nan 8.230 nan 0.000 0.421 1809 S N 1.920 117.417 115.700 -0.338 0.000 2.509 1809 S HA 0.854 5.324 4.470 -0.000 0.000 0.297 1809 S C -0.710 173.596 174.600 -0.490 0.000 1.118 1809 S CA -0.617 57.378 58.200 -0.341 0.000 1.074 1809 S CB 1.151 64.205 63.200 -0.243 0.000 1.038 1809 S HN 0.197 nan 8.310 nan 0.000 0.498 1810 F N 0.860 120.602 119.950 -0.346 0.000 2.593 1810 F HA 0.787 5.314 4.527 -0.000 0.000 0.320 1810 F C -0.330 175.386 175.800 -0.140 0.000 1.060 1810 F CA -1.269 56.613 58.000 -0.196 0.000 0.940 1810 F CB 1.650 40.538 39.000 -0.186 0.000 1.268 1810 F HN 0.594 nan 8.300 nan 0.000 0.475 1811 I N 1.390 122.071 120.570 0.184 0.000 2.656 1811 I HA 0.719 4.889 4.170 -0.000 0.000 0.292 1811 I C -0.885 175.270 176.117 0.063 0.000 1.144 1811 I CA -0.084 61.320 61.300 0.173 0.000 1.038 1811 I CB 1.861 40.038 38.000 0.295 0.000 1.244 1811 I HN 0.651 nan 8.210 nan 0.000 0.420 1812 S N 5.032 120.725 115.700 -0.012 0.000 2.643 1812 S HA 0.956 5.426 4.470 -0.000 0.000 0.270 1812 S C -1.110 173.370 174.600 -0.201 0.000 1.166 1812 S CA -0.500 57.640 58.200 -0.101 0.000 0.815 1812 S CB 1.018 64.175 63.200 -0.071 0.000 1.139 1812 S HN 1.062 nan 8.310 nan 0.000 0.472 1813 A N 0.173 122.812 122.820 -0.301 0.000 2.312 1813 A HA 0.724 5.044 4.320 -0.000 0.000 0.328 1813 A C 0.240 177.729 177.584 -0.159 0.000 1.158 1813 A CA -0.667 51.114 52.037 -0.427 0.000 0.821 1813 A CB 0.117 18.583 19.000 -0.891 0.000 1.170 1813 A HN 1.032 nan 8.150 nan 0.000 0.490 1814 C N 1.616 120.892 119.300 -0.041 0.000 2.480 1814 C HA 0.344 4.804 4.460 -0.000 0.000 0.358 1814 C C -0.934 174.087 174.990 0.051 0.000 1.309 1814 C CA -0.410 58.621 59.018 0.021 0.000 2.465 1814 C CB 0.247 28.022 27.740 0.059 0.000 2.379 1814 C HN 0.765 nan 8.230 nan 0.000 0.642 1815 P HA -0.086 nan 4.420 nan 0.000 0.228 1815 P C 0.721 178.049 177.300 0.046 0.000 1.151 1815 P CA 1.271 64.393 63.100 0.035 0.000 0.770 1815 P CB -0.117 31.593 31.700 0.016 0.000 0.786 1816 D N -2.034 118.398 120.400 0.053 0.000 2.340 1816 D HA -0.078 4.562 4.640 -0.000 0.000 0.220 1816 D C 0.368 176.664 176.300 -0.006 0.000 1.039 1816 D CA -0.391 53.612 54.000 0.005 0.000 0.866 1816 D CB -0.932 39.856 40.800 -0.021 0.000 0.913 1816 D HN 0.056 nan 8.370 nan 0.000 0.523 1817 F N 1.875 121.773 119.950 -0.086 0.000 2.563 1817 F HA 0.202 4.729 4.527 -0.000 0.000 0.363 1817 F C 0.694 176.438 175.800 -0.092 0.000 1.123 1817 F CA 0.287 58.237 58.000 -0.083 0.000 1.307 1817 F CB 0.501 39.482 39.000 -0.031 0.000 1.115 1817 F HN -0.275 nan 8.300 nan 0.000 0.592 1818 K N 4.920 125.003 120.400 -0.529 0.000 2.426 1818 K HA 0.695 5.015 4.320 -0.000 0.000 0.251 1818 K C -1.872 174.583 176.600 -0.243 0.000 0.941 1818 K CA -0.992 55.132 56.287 -0.272 0.000 0.808 1818 K CB 2.324 34.696 32.500 -0.213 0.000 1.265 1818 K HN 0.259 nan 8.250 nan 0.000 0.432 1819 L N 2.238 123.402 121.223 -0.099 0.000 2.470 1819 L HA 0.499 4.839 4.340 -0.000 0.000 0.268 1819 L C -0.791 176.003 176.870 -0.126 0.000 0.964 1819 L CA -0.356 54.408 54.840 -0.127 0.000 0.839 1819 L CB 1.832 43.650 42.059 -0.401 0.000 1.276 1819 L HN 0.601 nan 8.230 nan 0.000 0.403 1820 R N 2.647 123.183 120.500 0.060 0.000 2.867 1820 R HA 0.700 5.040 4.340 -0.000 0.000 0.268 1820 R C -1.085 175.282 176.300 0.111 0.000 1.014 1820 R CA -1.305 54.826 56.100 0.052 0.000 0.946 1820 R CB 2.120 32.363 30.300 -0.094 0.000 1.208 1820 R HN 0.562 nan 8.270 nan 0.000 0.477 1821 L N 2.055 123.301 121.223 0.038 0.000 3.291 1821 L HA -0.191 4.149 4.340 -0.000 0.000 0.659 1821 L C -0.479 176.382 176.870 -0.015 0.000 1.042 1821 L CA 0.144 54.948 54.840 -0.060 0.000 1.256 1821 L CB -0.262 41.602 42.059 -0.325 0.000 1.596 1821 L HN 0.741 nan 8.230 nan 0.000 0.819 1822 M N 5.019 124.582 119.600 -0.062 0.000 2.248 1822 M HA 0.167 4.646 4.480 -0.000 0.000 0.345 1822 M C 0.385 176.575 176.300 -0.182 0.000 1.243 1822 M CA 1.022 56.124 55.300 -0.329 0.000 1.090 1822 M CB 0.350 32.789 32.600 -0.269 0.000 1.683 1822 M HN 0.486 nan 8.290 nan 0.000 0.450 1823 K N 2.540 122.834 120.400 -0.176 0.000 2.533 1823 K HA 0.444 4.764 4.320 -0.000 0.000 0.272 1823 K C -1.599 174.977 176.600 -0.040 0.000 0.985 1823 K CA -1.180 55.059 56.287 -0.079 0.000 0.876 1823 K CB 1.226 33.693 32.500 -0.055 0.000 1.452 1823 K HN 0.395 nan 8.250 nan 0.000 0.439 1824 D N 1.264 121.645 120.400 -0.033 0.000 2.341 1824 D HA 0.067 4.707 4.640 -0.000 0.000 0.245 1824 D C -0.569 175.652 176.300 -0.132 0.000 1.106 1824 D CA 0.318 54.297 54.000 -0.034 0.000 0.905 1824 D CB 1.834 42.622 40.800 -0.020 0.000 1.202 1824 D HN 0.466 nan 8.370 nan 0.000 0.426 1825 T N 0.370 114.769 114.554 -0.258 0.000 2.922 1825 T HA 0.114 4.464 4.350 -0.000 0.000 0.285 1825 T C 0.789 175.383 174.700 -0.178 0.000 1.005 1825 T CA -0.533 61.365 62.100 -0.336 0.000 1.061 1825 T CB 0.705 69.173 68.868 -0.668 0.000 1.007 1825 T HN 0.336 nan 8.240 nan 0.000 0.502 1826 Q N 2.019 121.738 119.800 -0.135 0.000 2.217 1826 Q HA 0.158 4.498 4.340 -0.000 0.000 0.226 1826 Q C 0.793 176.748 176.000 -0.075 0.000 0.875 1826 Q CA -0.160 55.592 55.803 -0.085 0.000 0.974 1826 Q CB -0.297 28.403 28.738 -0.063 0.000 1.079 1826 Q HN 0.715 nan 8.270 nan 0.000 0.463 1827 T N -2.757 111.740 114.554 -0.094 0.000 3.069 1827 T HA 0.359 4.709 4.350 -0.000 0.000 0.252 1827 T C 0.102 174.778 174.700 -0.041 0.000 1.053 1827 T CA -0.224 61.837 62.100 -0.064 0.000 0.964 1827 T CB 0.208 69.033 68.868 -0.071 0.000 1.005 1827 T HN 0.233 nan 8.240 nan 0.000 0.532 1828 I N 1.968 122.514 120.570 -0.041 0.000 2.722 1828 I HA 0.657 4.827 4.170 -0.000 0.000 0.295 1828 I C -1.177 174.931 176.117 -0.015 0.000 1.161 1828 I CA -0.323 60.968 61.300 -0.016 0.000 1.032 1828 I CB 2.280 40.283 38.000 0.005 0.000 1.244 1828 I HN 0.365 nan 8.210 nan 0.000 0.421 1829 S N 5.615 121.310 115.700 -0.008 0.000 2.636 1829 S HA 0.855 5.325 4.470 -0.000 0.000 0.268 1829 S C -1.528 173.070 174.600 -0.004 0.000 1.159 1829 S CA -0.831 57.364 58.200 -0.008 0.000 0.815 1829 S CB 1.995 65.187 63.200 -0.013 0.000 1.130 1829 S HN 0.820 nan 8.310 nan 0.000 0.471 1830 Q N -0.838 118.961 119.800 -0.003 0.000 2.522 1830 Q HA 0.598 4.938 4.340 -0.000 0.000 0.285 1830 Q C -0.494 175.505 176.000 -0.003 0.000 0.982 1830 Q CA -0.535 55.267 55.803 -0.002 0.000 0.805 1830 Q CB 1.158 29.897 28.738 0.001 0.000 1.457 1830 Q HN 0.847 nan 8.270 nan 0.000 0.394 1831 T N -2.201 112.351 114.554 -0.003 0.000 2.990 1831 T HA 0.337 4.687 4.350 -0.000 0.000 0.249 1831 T C 0.671 175.370 174.700 -0.001 0.000 1.039 1831 T CA 0.857 62.955 62.100 -0.003 0.000 1.036 1831 T CB 0.155 69.021 68.868 -0.004 0.000 0.994 1831 T HN 0.731 nan 8.240 nan 0.000 0.489 1832 V N -1.244 118.669 119.914 -0.001 0.000 3.049 1832 V HA 0.922 5.042 4.120 -0.000 0.000 0.309 1832 V C -0.132 175.963 176.094 0.001 0.000 1.148 1832 V CA -1.899 60.401 62.300 0.000 0.000 0.990 1832 V CB 1.119 32.941 31.823 -0.000 0.000 1.039 1832 V HN 0.396 nan 8.190 nan 0.000 0.430 1833 A N 3.320 126.141 122.820 0.002 0.000 2.498 1833 A HA 0.614 4.934 4.320 -0.000 0.000 0.239 1833 A C 0.058 177.643 177.584 0.002 0.000 1.068 1833 A CA -0.219 51.820 52.037 0.003 0.000 0.766 1833 A CB -0.223 18.779 19.000 0.003 0.000 1.003 1833 A HN 0.953 nan 8.150 nan 0.000 0.497 1834 L N 2.024 123.248 121.223 0.002 0.000 2.417 1834 L HA 0.439 4.779 4.340 -0.000 0.000 0.268 1834 L C 1.047 177.918 176.870 0.001 0.000 1.158 1834 L CA -0.262 54.579 54.840 0.001 0.000 0.819 1834 L CB 0.910 42.970 42.059 0.002 0.000 1.112 1834 L HN 0.915 nan 8.230 nan 0.000 0.458 1835 T N -1.695 112.859 114.554 0.000 0.000 2.910 1835 T HA 0.485 4.835 4.350 -0.000 0.000 0.287 1835 T C -0.158 174.542 174.700 -0.001 0.000 1.050 1835 T CA -0.997 61.103 62.100 -0.001 0.000 1.011 1835 T CB 1.841 70.709 68.868 -0.001 0.000 1.195 1835 T HN 0.453 nan 8.240 nan 0.000 0.540 1836 E N 0.000 120.199 120.200 -0.001 0.000 2.725 1836 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 1836 E CA 0.000 56.399 56.400 -0.001 0.000 0.976 1836 E CB 0.000 29.699 29.700 -0.002 0.000 0.812 1836 E HN 0.000 nan 8.360 nan 0.000 0.440