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 2e2x_1_A DATA FIRST_RESID 1567 DATA SEQUENCE KTLSIFYQAG TSKAGNPIFY YVARRFKTGQ INGDLLIYHV LLTLKPYYAK DATA SEQUENCE PYEIVVDLTH TGPSNRFKTD FLSKWFVVFP GFAYDNVSAV YIYNCNSWVR DATA SEQUENCE EYTKYHERLL TGLKGSKRLV FIDCPGKLAE HIEHEQQKLP AATLALEEDL DATA SEQUENCE KVFHNALKLA HKDTKVSIKV GSTAVQVTSA ERTKVLGQSV FLNDIYYASE DATA SEQUENCE IEEICLVDEN QFTLTIANQG TPLTFMHQEC EAIVQSIIHI RTRWELSQPD 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 1567 K HA 0.000 nan 4.320 nan 0.000 0.191 1567 K C 0.000 176.626 176.600 0.043 0.000 0.988 1567 K CA 0.000 56.311 56.287 0.040 0.000 0.838 1567 K CB 0.000 32.520 32.500 0.033 0.000 1.064 1568 T N -0.758 113.811 114.554 0.026 0.000 4.314 1568 T HA 0.611 4.951 4.350 -0.016 0.000 0.262 1568 T C 1.297 175.890 174.700 -0.179 0.000 0.939 1568 T CA 0.772 62.883 62.100 0.018 0.000 1.179 1568 T CB -0.724 68.224 68.868 0.132 0.000 0.973 1568 T HN 1.377 nan 8.240 nan 0.000 0.525 1569 L N 0.663 121.760 121.223 -0.209 0.000 2.627 1569 L HA 0.576 4.907 4.340 -0.016 0.000 0.232 1569 L C 2.150 178.981 176.870 -0.065 0.000 1.150 1569 L CA 1.420 56.035 54.840 -0.375 0.000 0.917 1569 L CB -1.005 41.022 42.059 -0.053 0.000 1.104 1569 L HN 0.739 nan 8.230 nan 0.000 0.445 1570 S N -2.607 113.095 115.700 0.003 0.000 2.505 1570 S HA 0.192 4.652 4.470 -0.016 0.000 0.216 1570 S C 1.823 176.546 174.600 0.205 0.000 1.018 1570 S CA 0.776 59.022 58.200 0.077 0.000 0.911 1570 S CB -0.109 63.099 63.200 0.014 0.000 0.818 1570 S HN 0.574 nan 8.310 nan 0.000 0.497 1571 I N -0.113 120.560 120.570 0.172 0.000 2.277 1571 I HA 0.188 4.349 4.170 -0.016 0.000 0.243 1571 I C 0.259 176.522 176.117 0.243 0.000 1.094 1571 I CA 1.033 62.422 61.300 0.148 0.000 1.393 1571 I CB 0.083 38.207 38.000 0.208 0.000 1.078 1571 I HN 0.269 nan 8.210 nan 0.000 0.417 1572 F N 2.568 122.670 119.950 0.253 0.000 2.513 1572 F HA 0.370 4.888 4.527 -0.014 0.000 0.358 1572 F C -0.659 175.419 175.800 0.463 0.000 1.118 1572 F CA -1.188 57.029 58.000 0.361 0.000 1.037 1572 F CB 0.733 40.061 39.000 0.547 0.000 1.276 1572 F HN -0.059 nan 8.300 nan 0.000 0.446 1573 Y N 2.562 122.802 120.300 -0.100 0.000 2.524 1573 Y HA 0.584 5.125 4.550 -0.014 0.000 0.344 1573 Y C -0.805 174.889 175.900 -0.343 0.000 1.012 1573 Y CA -1.379 56.655 58.100 -0.110 0.000 1.068 1573 Y CB 0.944 39.366 38.460 -0.064 0.000 1.249 1573 Y HN 0.561 nan 8.280 nan 0.000 0.468 1574 Q N 1.928 121.559 119.800 -0.282 0.000 2.235 1574 Q HA 0.738 5.068 4.340 -0.016 0.000 0.250 1574 Q C -1.483 174.362 176.000 -0.259 0.000 0.909 1574 Q CA -0.753 54.606 55.803 -0.739 0.000 0.910 1574 Q CB 1.336 29.450 28.738 -1.041 0.000 1.223 1574 Q HN 1.035 nan 8.270 nan 0.000 0.432 1575 A N 2.925 125.615 122.820 -0.217 0.000 2.512 1575 A HA 0.619 4.929 4.320 -0.016 0.000 0.290 1575 A C -0.289 177.322 177.584 0.045 0.000 1.041 1575 A CA 0.177 52.208 52.037 -0.010 0.000 0.911 1575 A CB 0.574 19.637 19.000 0.104 0.000 1.407 1575 A HN 1.156 nan 8.150 nan 0.000 0.398 1576 G N 0.893 109.684 108.800 -0.015 0.000 2.728 1576 G HA2 0.402 4.352 3.960 -0.016 0.000 0.294 1576 G HA3 0.402 4.352 3.960 -0.016 0.000 0.294 1576 G C -0.352 174.547 174.900 -0.002 0.000 1.342 1576 G CA -0.142 44.968 45.100 0.016 0.000 0.866 1576 G HN 1.840 nan 8.290 nan 0.000 0.534 1577 T N 0.229 114.798 114.554 0.026 0.000 2.900 1577 T HA 0.752 5.092 4.350 -0.016 0.000 0.303 1577 T C 0.338 175.058 174.700 0.032 0.000 1.142 1577 T CA 0.144 62.270 62.100 0.044 0.000 1.007 1577 T CB 1.671 70.574 68.868 0.058 0.000 1.156 1577 T HN 1.549 nan 8.240 nan 0.000 0.490 1578 S N 0.884 116.613 115.700 0.049 0.000 2.652 1578 S HA 0.406 4.866 4.470 -0.016 0.000 0.270 1578 S C 0.911 175.521 174.600 0.017 0.000 1.243 1578 S CA -1.025 57.196 58.200 0.036 0.000 0.999 1578 S CB 1.186 64.442 63.200 0.094 0.000 0.973 1578 S HN 0.662 nan 8.310 nan 0.000 0.544 1579 K N 0.230 120.627 120.400 -0.004 0.000 2.515 1579 K HA 0.035 4.345 4.320 -0.016 0.000 0.196 1579 K C 1.516 178.114 176.600 -0.005 0.000 1.038 1579 K CA 0.741 57.004 56.287 -0.041 0.000 0.967 1579 K CB -0.313 32.139 32.500 -0.080 0.000 0.780 1579 K HN 0.717 nan 8.250 nan 0.000 0.483 1580 A N 0.398 123.241 122.820 0.040 0.000 2.238 1580 A HA 0.225 4.536 4.320 -0.016 0.000 0.210 1580 A C 0.970 178.587 177.584 0.055 0.000 1.179 1580 A CA 0.580 52.648 52.037 0.051 0.000 0.827 1580 A CB 0.151 19.199 19.000 0.081 0.000 0.856 1580 A HN 0.291 nan 8.150 nan 0.000 0.488 1581 G N 0.139 108.973 108.800 0.057 0.000 2.452 1581 G HA2 -0.151 3.799 3.960 -0.016 0.000 0.275 1581 G HA3 -0.151 3.799 3.960 -0.016 0.000 0.275 1581 G C -0.784 174.177 174.900 0.102 0.000 1.131 1581 G CA 0.011 45.151 45.100 0.068 0.000 1.031 1581 G HN 0.455 nan 8.290 nan 0.000 0.511 1582 N N 0.420 119.195 118.700 0.123 0.000 2.308 1582 N HA 0.528 5.258 4.740 -0.016 0.000 0.283 1582 N C -2.922 172.705 175.510 0.196 0.000 1.105 1582 N CA -1.187 51.971 53.050 0.180 0.000 0.840 1582 N CB 3.264 41.858 38.487 0.178 0.000 1.633 1582 N HN 0.162 nan 8.380 nan 0.000 0.476 1583 P HA 0.255 nan 4.420 nan 0.000 0.271 1583 P C -0.457 176.971 177.300 0.214 0.000 1.218 1583 P CA -0.009 63.210 63.100 0.199 0.000 0.780 1583 P CB 1.184 33.049 31.700 0.275 0.000 0.901 1584 I N 2.488 123.061 120.570 0.005 0.000 2.377 1584 I HA 0.353 4.513 4.170 -0.016 0.000 0.293 1584 I C -0.137 175.837 176.117 -0.238 0.000 0.987 1584 I CA -0.694 60.600 61.300 -0.009 0.000 1.185 1584 I CB 0.810 38.759 38.000 -0.085 0.000 1.341 1584 I HN 0.165 nan 8.210 nan 0.000 0.455 1585 F N 4.983 124.796 119.950 -0.227 0.000 2.507 1585 F HA 0.461 4.979 4.527 -0.014 0.000 0.325 1585 F C -0.503 174.978 175.800 -0.531 0.000 1.116 1585 F CA -0.656 57.087 58.000 -0.427 0.000 0.930 1585 F CB 1.282 40.053 39.000 -0.381 0.000 1.146 1585 F HN 0.207 nan 8.300 nan 0.000 0.447 1586 Y N 2.376 122.280 120.300 -0.660 0.000 2.330 1586 Y HA 0.368 4.910 4.550 -0.012 0.000 0.336 1586 Y C -0.779 174.928 175.900 -0.321 0.000 1.036 1586 Y CA -1.021 56.746 58.100 -0.556 0.000 1.125 1586 Y CB 1.123 38.965 38.460 -1.030 0.000 1.194 1586 Y HN 0.494 nan 8.280 nan 0.000 0.469 1587 Y N 2.895 123.266 120.300 0.118 0.000 2.328 1587 Y HA 0.595 5.136 4.550 -0.015 0.000 0.333 1587 Y C -1.184 174.845 175.900 0.216 0.000 0.958 1587 Y CA -1.283 56.993 58.100 0.294 0.000 1.167 1587 Y CB 0.986 39.614 38.460 0.280 0.000 1.151 1587 Y HN 0.364 nan 8.280 nan 0.000 0.470 1588 V N 8.006 127.735 119.914 -0.310 0.000 2.288 1588 V HA 0.293 4.403 4.120 -0.016 0.000 0.266 1588 V C 1.023 176.921 176.094 -0.326 0.000 1.048 1588 V CA 0.329 62.561 62.300 -0.113 0.000 0.842 1588 V CB 0.153 32.013 31.823 0.060 0.000 1.064 1588 V HN 1.058 nan 8.190 nan 0.000 0.472 1589 A N 5.908 128.668 122.820 -0.100 0.000 1.978 1589 A HA -0.172 4.138 4.320 -0.016 0.000 0.220 1589 A C 2.267 179.939 177.584 0.146 0.000 1.170 1589 A CA 1.909 54.025 52.037 0.132 0.000 0.636 1589 A CB -0.294 18.855 19.000 0.249 0.000 0.810 1589 A HN 0.886 nan 8.150 nan 0.000 0.448 1590 R N -1.103 119.458 120.500 0.103 0.000 2.115 1590 R HA -0.011 4.319 4.340 -0.016 0.000 0.226 1590 R C 2.042 178.406 176.300 0.107 0.000 1.100 1590 R CA 1.357 57.522 56.100 0.108 0.000 0.980 1590 R CB -0.352 30.043 30.300 0.157 0.000 0.875 1590 R HN 0.304 nan 8.270 nan 0.000 0.445 1591 R N 0.420 120.978 120.500 0.097 0.000 2.096 1591 R HA -0.014 4.317 4.340 -0.016 0.000 0.235 1591 R C 0.293 176.682 176.300 0.149 0.000 1.127 1591 R CA 1.020 57.178 56.100 0.098 0.000 0.968 1591 R CB -0.331 30.015 30.300 0.077 0.000 0.861 1591 R HN 0.230 nan 8.270 nan 0.000 0.440 1592 F N 1.441 121.434 119.950 0.071 0.000 2.399 1592 F HA 0.279 4.795 4.527 -0.017 0.000 0.342 1592 F C -0.627 175.266 175.800 0.155 0.000 1.106 1592 F CA -0.466 57.639 58.000 0.175 0.000 1.196 1592 F CB 0.698 39.924 39.000 0.377 0.000 1.163 1592 F HN -0.257 nan 8.300 nan 0.000 0.547 1593 K N 3.971 123.831 120.400 -0.900 0.000 2.443 1593 K HA 0.209 4.520 4.320 -0.016 0.000 0.252 1593 K C -0.767 175.215 176.600 -1.029 0.000 0.933 1593 K CA -0.721 55.137 56.287 -0.715 0.000 0.792 1593 K CB 1.551 33.862 32.500 -0.315 0.000 1.185 1593 K HN 0.747 nan 8.250 nan 0.000 0.425 1594 T N -0.686 113.489 114.554 -0.631 0.000 2.752 1594 T HA 0.487 4.828 4.350 -0.016 0.000 0.295 1594 T C 0.508 175.099 174.700 -0.182 0.000 0.923 1594 T CA 0.461 62.380 62.100 -0.301 0.000 1.112 1594 T CB -0.015 68.875 68.868 0.036 0.000 0.884 1594 T HN 0.834 nan 8.240 nan 0.000 0.525 1595 G N 2.738 111.451 108.800 -0.145 0.000 3.039 1595 G HA2 0.152 4.102 3.960 -0.016 0.000 0.686 1595 G HA3 0.152 4.102 3.960 -0.016 0.000 0.686 1595 G C -0.373 174.460 174.900 -0.111 0.000 1.066 1595 G CA 0.246 45.295 45.100 -0.086 0.000 0.774 1595 G HN 1.295 nan 8.290 nan 0.000 0.591 1596 Q N -0.294 119.464 119.800 -0.070 0.000 1.324 1596 Q HA -0.239 4.091 4.340 -0.016 0.000 0.270 1596 Q C 0.957 176.930 176.000 -0.046 0.000 0.995 1596 Q CA 0.946 56.715 55.803 -0.056 0.000 0.940 1596 Q CB -1.233 27.464 28.738 -0.068 0.000 2.657 1596 Q HN 1.387 nan 8.270 nan 0.000 0.454 1597 I N 3.719 124.258 120.570 -0.052 0.000 3.262 1597 I HA -0.077 4.083 4.170 -0.016 0.000 0.319 1597 I C 0.171 176.334 176.117 0.077 0.000 1.159 1597 I CA 0.155 61.472 61.300 0.028 0.000 2.207 1597 I CB -1.018 37.029 38.000 0.077 0.000 1.674 1597 I HN 0.213 nan 8.210 nan 0.000 1.058 1598 N N 4.603 123.326 118.700 0.039 0.000 2.217 1598 N HA -0.095 4.635 4.740 -0.016 0.000 0.268 1598 N C 1.390 176.934 175.510 0.057 0.000 1.290 1598 N CA 0.702 53.760 53.050 0.014 0.000 0.831 1598 N CB 1.054 39.536 38.487 -0.009 0.000 1.057 1598 N HN 0.668 nan 8.380 nan 0.000 0.481 1599 G N 2.431 111.163 108.800 -0.113 0.000 2.485 1599 G HA2 -0.277 3.674 3.960 -0.016 0.000 0.221 1599 G HA3 -0.277 3.674 3.960 -0.016 0.000 0.221 1599 G C 1.067 175.939 174.900 -0.046 0.000 1.115 1599 G CA 0.532 45.368 45.100 -0.440 0.000 0.751 1599 G HN 0.553 nan 8.290 nan 0.000 0.567 1600 D N -0.013 120.367 120.400 -0.033 0.000 2.221 1600 D HA -0.065 4.566 4.640 -0.016 0.000 0.204 1600 D C 2.312 178.671 176.300 0.098 0.000 0.982 1600 D CA 0.304 54.325 54.000 0.035 0.000 0.857 1600 D CB 0.026 40.823 40.800 -0.006 0.000 0.934 1600 D HN 0.179 nan 8.370 nan 0.000 0.475 1601 L N 0.335 121.628 121.223 0.117 0.000 2.209 1601 L HA -0.019 4.311 4.340 -0.016 0.000 0.207 1601 L C 2.190 179.249 176.870 0.314 0.000 1.094 1601 L CA 0.666 55.608 54.840 0.169 0.000 0.790 1601 L CB -0.461 41.675 42.059 0.129 0.000 0.932 1601 L HN 0.101 nan 8.230 nan 0.000 0.447 1602 L N -1.144 120.286 121.223 0.344 0.000 2.249 1602 L HA 0.025 4.355 4.340 -0.016 0.000 0.207 1602 L C 2.168 179.284 176.870 0.411 0.000 1.090 1602 L CA 1.203 56.310 54.840 0.445 0.000 0.802 1602 L CB -0.190 42.159 42.059 0.484 0.000 0.947 1602 L HN 0.030 nan 8.230 nan 0.000 0.453 1603 I N -1.297 119.399 120.570 0.210 0.000 2.676 1603 I HA -0.226 3.934 4.170 -0.016 0.000 0.259 1603 I C 2.171 178.222 176.117 -0.110 0.000 1.194 1603 I CA 0.824 61.940 61.300 -0.307 0.000 1.473 1603 I CB 0.046 37.618 38.000 -0.714 0.000 1.096 1603 I HN 0.448 nan 8.210 nan 0.000 0.443 1604 Y N 0.666 120.954 120.300 -0.019 0.000 2.092 1604 Y HA -0.358 4.182 4.550 -0.017 0.000 0.282 1604 Y C 2.689 178.641 175.900 0.086 0.000 1.126 1604 Y CA 2.351 60.458 58.100 0.012 0.000 1.111 1604 Y CB -0.707 37.788 38.460 0.057 0.000 0.987 1604 Y HN 0.261 nan 8.280 nan 0.000 0.489 1605 H N -0.637 118.602 119.070 0.282 0.000 2.422 1605 H HA -0.142 4.404 4.556 -0.016 0.000 0.298 1605 H C 1.831 177.282 175.328 0.204 0.000 1.098 1605 H CA 2.118 58.315 56.048 0.248 0.000 1.315 1605 H CB -0.257 29.709 29.762 0.340 0.000 1.382 1605 H HN 0.257 nan 8.280 nan 0.000 0.523 1606 V N -0.120 119.898 119.914 0.172 0.000 2.719 1606 V HA -0.129 3.982 4.120 -0.016 0.000 0.252 1606 V C 2.289 178.342 176.094 -0.069 0.000 1.065 1606 V CA 1.054 63.330 62.300 -0.040 0.000 1.086 1606 V CB -0.408 31.392 31.823 -0.040 0.000 0.700 1606 V HN 0.331 nan 8.190 nan 0.000 0.467 1607 L N -0.553 120.642 121.223 -0.046 0.000 2.109 1607 L HA 0.000 4.330 4.340 -0.016 0.000 0.207 1607 L C 2.075 178.815 176.870 -0.216 0.000 1.086 1607 L CA 1.722 56.538 54.840 -0.040 0.000 0.760 1607 L CB -0.503 41.432 42.059 -0.206 0.000 0.910 1607 L HN 0.202 nan 8.230 nan 0.000 0.437 1608 L N -1.199 119.854 121.223 -0.284 0.000 2.240 1608 L HA -0.121 4.209 4.340 -0.016 0.000 0.211 1608 L C 2.132 178.890 176.870 -0.187 0.000 1.106 1608 L CA 1.432 56.106 54.840 -0.277 0.000 0.793 1608 L CB -0.248 41.624 42.059 -0.312 0.000 0.927 1608 L HN 0.488 nan 8.230 nan 0.000 0.446 1609 T N -3.930 110.534 114.554 -0.150 0.000 3.065 1609 T HA 0.069 4.410 4.350 -0.016 0.000 0.252 1609 T C 1.582 176.308 174.700 0.043 0.000 1.099 1609 T CA 0.103 62.221 62.100 0.030 0.000 1.063 1609 T CB 0.149 69.111 68.868 0.156 0.000 0.948 1609 T HN 0.197 nan 8.240 nan 0.000 0.506 1610 L N -0.416 120.659 121.223 -0.247 0.000 2.357 1610 L HA 0.337 4.667 4.340 -0.016 0.000 0.211 1610 L C 2.680 179.015 176.870 -0.892 0.000 1.075 1610 L CA 0.274 54.733 54.840 -0.636 0.000 0.830 1610 L CB -0.297 41.333 42.059 -0.715 0.000 0.996 1610 L HN 0.178 nan 8.230 nan 0.000 0.467 1611 K N 1.196 120.999 120.400 -0.995 0.000 2.013 1611 K HA -0.218 4.092 4.320 -0.016 0.000 0.225 1611 K C -0.765 175.490 176.600 -0.575 0.000 1.056 1611 K CA 2.443 58.022 56.287 -1.182 0.000 0.971 1611 K CB -1.021 31.200 32.500 -0.466 0.000 0.731 1611 K HN 0.103 nan 8.250 nan 0.000 0.450 1612 P HA -0.177 nan 4.420 nan 0.000 0.222 1612 P C 0.439 177.601 177.300 -0.230 0.000 1.142 1612 P CA 1.607 64.622 63.100 -0.141 0.000 0.788 1612 P CB -0.029 31.632 31.700 -0.066 0.000 0.767 1613 Y N -2.115 118.080 120.300 -0.176 0.000 2.589 1613 Y HA 0.093 4.634 4.550 -0.016 0.000 0.271 1613 Y C 2.375 178.254 175.900 -0.035 0.000 1.107 1613 Y CA -0.244 57.805 58.100 -0.085 0.000 1.273 1613 Y CB -0.851 37.565 38.460 -0.073 0.000 1.266 1613 Y HN -0.039 nan 8.280 nan 0.000 0.504 1614 Y N -1.966 118.259 120.300 -0.124 0.000 2.632 1614 Y HA 0.322 4.863 4.550 -0.016 0.000 0.301 1614 Y C 1.734 177.813 175.900 0.299 0.000 1.172 1614 Y CA 0.051 58.118 58.100 -0.055 0.000 1.328 1614 Y CB -0.331 37.938 38.460 -0.318 0.000 1.016 1614 Y HN 0.050 nan 8.280 nan 0.000 0.529 1615 A N 1.180 124.400 122.820 0.666 0.000 2.030 1615 A HA 0.087 4.398 4.320 -0.016 0.000 0.215 1615 A C 0.977 178.724 177.584 0.272 0.000 1.164 1615 A CA 0.037 52.377 52.037 0.506 0.000 0.697 1615 A CB 0.040 19.202 19.000 0.270 0.000 0.827 1615 A HN 0.267 nan 8.150 nan 0.000 0.457 1616 K N -0.154 120.404 120.400 0.264 0.000 2.211 1616 K HA 0.519 4.829 4.320 -0.016 0.000 0.237 1616 K C -3.248 173.539 176.600 0.311 0.000 1.002 1616 K CA -2.578 53.837 56.287 0.213 0.000 0.885 1616 K CB 0.043 32.633 32.500 0.150 0.000 1.136 1616 K HN -0.140 nan 8.250 nan 0.000 0.448 1617 P HA 0.104 nan 4.420 nan 0.000 0.271 1617 P C -1.232 176.262 177.300 0.323 0.000 1.216 1617 P CA 0.096 63.325 63.100 0.216 0.000 0.771 1617 P CB 0.004 31.775 31.700 0.118 0.000 0.864 1618 Y N -1.260 119.116 120.300 0.127 0.000 2.588 1618 Y HA 0.688 5.228 4.550 -0.017 0.000 0.343 1618 Y C -0.737 175.234 175.900 0.118 0.000 1.065 1618 Y CA -1.312 56.885 58.100 0.160 0.000 1.038 1618 Y CB 1.493 40.045 38.460 0.154 0.000 1.297 1618 Y HN 0.280 nan 8.280 nan 0.000 0.467 1619 E N 2.629 122.972 120.200 0.238 0.000 2.244 1619 E HA 0.611 4.951 4.350 -0.016 0.000 0.266 1619 E C -1.152 175.588 176.600 0.233 0.000 0.914 1619 E CA -1.122 55.354 56.400 0.128 0.000 0.794 1619 E CB 2.770 32.609 29.700 0.231 0.000 1.210 1619 E HN 0.482 nan 8.360 nan 0.000 0.414 1620 I N 1.661 122.301 120.570 0.118 0.000 2.608 1620 I HA 0.351 4.512 4.170 -0.016 0.000 0.295 1620 I C -0.665 175.473 176.117 0.034 0.000 1.049 1620 I CA -0.943 60.432 61.300 0.124 0.000 1.063 1620 I CB 1.946 40.027 38.000 0.134 0.000 1.248 1620 I HN 0.264 nan 8.210 nan 0.000 0.424 1621 V N 5.867 125.699 119.914 -0.137 0.000 2.378 1621 V HA 0.311 4.421 4.120 -0.016 0.000 0.288 1621 V C -0.208 175.880 176.094 -0.010 0.000 1.016 1621 V CA -0.795 61.403 62.300 -0.170 0.000 0.840 1621 V CB 2.387 33.815 31.823 -0.658 0.000 0.994 1621 V HN 0.511 nan 8.190 nan 0.000 0.431 1622 V N 4.326 124.287 119.914 0.078 0.000 2.347 1622 V HA 0.492 4.602 4.120 -0.016 0.000 0.280 1622 V C -0.423 175.793 176.094 0.203 0.000 1.021 1622 V CA -0.283 62.120 62.300 0.173 0.000 0.847 1622 V CB 1.608 33.491 31.823 0.099 0.000 0.990 1622 V HN 0.935 nan 8.190 nan 0.000 0.444 1623 D N 5.460 126.017 120.400 0.262 0.000 2.393 1623 D HA 0.221 4.851 4.640 -0.016 0.000 0.232 1623 D C 0.739 177.171 176.300 0.221 0.000 1.192 1623 D CA 0.051 54.239 54.000 0.312 0.000 0.882 1623 D CB 0.975 41.969 40.800 0.323 0.000 1.038 1623 D HN 0.618 nan 8.370 nan 0.000 0.499 1624 L N 2.900 124.221 121.223 0.163 0.000 2.627 1624 L HA 0.087 4.417 4.340 -0.016 0.000 0.232 1624 L C 0.699 177.620 176.870 0.085 0.000 1.150 1624 L CA -0.004 54.903 54.840 0.112 0.000 0.917 1624 L CB -0.230 41.878 42.059 0.081 0.000 1.104 1624 L HN 0.286 nan 8.230 nan 0.000 0.445 1625 T N 0.294 114.916 114.554 0.113 0.000 2.822 1625 T HA -0.138 4.202 4.350 -0.016 0.000 0.288 1625 T C 0.962 175.745 174.700 0.138 0.000 0.991 1625 T CA 0.537 62.702 62.100 0.108 0.000 1.176 1625 T CB -0.282 68.704 68.868 0.197 0.000 0.951 1625 T HN 0.400 nan 8.240 nan 0.000 0.526 1626 H N 1.350 120.369 119.070 -0.084 0.000 2.781 1626 H HA -0.185 4.362 4.556 -0.015 0.000 0.301 1626 H C -0.197 175.047 175.328 -0.141 0.000 1.124 1626 H CA 0.900 56.828 56.048 -0.200 0.000 1.154 1626 H CB -1.205 28.364 29.762 -0.322 0.000 1.355 1626 H HN 0.593 nan 8.280 nan 0.000 0.385 1627 T N 0.120 114.627 114.554 -0.079 0.000 2.870 1627 T HA 0.443 4.783 4.350 -0.016 0.000 0.300 1627 T C 1.023 175.546 174.700 -0.294 0.000 0.989 1627 T CA 0.390 62.435 62.100 -0.092 0.000 1.139 1627 T CB 1.634 70.541 68.868 0.065 0.000 0.920 1627 T HN 0.547 nan 8.240 nan 0.000 0.537 1628 G N 2.793 111.223 108.800 -0.616 0.000 3.105 1628 G HA2 0.577 4.528 3.960 -0.016 0.000 0.277 1628 G HA3 0.577 4.528 3.960 -0.016 0.000 0.277 1628 G C -1.994 171.816 174.900 -1.817 0.000 1.375 1628 G CA -1.293 43.101 45.100 -1.178 0.000 0.962 1628 G HN 0.335 nan 8.290 nan 0.000 0.541 1629 P HA -0.117 nan 4.420 nan 0.000 0.219 1629 P C 1.703 178.777 177.300 -0.377 0.000 1.146 1629 P CA 1.919 64.477 63.100 -0.904 0.000 0.808 1629 P CB 0.081 31.565 31.700 -0.360 0.000 0.779 1630 S N -1.146 114.336 115.700 -0.364 0.000 2.555 1630 S HA -0.012 4.448 4.470 -0.016 0.000 0.230 1630 S C 1.370 175.868 174.600 -0.170 0.000 0.978 1630 S CA 0.590 58.673 58.200 -0.196 0.000 0.934 1630 S CB -1.186 61.913 63.200 -0.168 0.000 0.766 1630 S HN 0.278 nan 8.310 nan 0.000 0.533 1631 N N 1.115 119.704 118.700 -0.185 0.000 2.220 1631 N HA 0.125 4.855 4.740 -0.016 0.000 0.195 1631 N C 0.491 176.171 175.510 0.284 0.000 1.123 1631 N CA -0.432 52.629 53.050 0.018 0.000 0.874 1631 N CB 0.268 38.748 38.487 -0.011 0.000 0.995 1631 N HN 0.484 nan 8.380 nan 0.000 0.498 1632 R N 0.893 121.522 120.500 0.214 0.000 2.905 1632 R HA 0.025 4.355 4.340 -0.016 0.000 0.273 1632 R C -0.895 175.923 176.300 0.863 0.000 1.033 1632 R CA 0.326 56.701 56.100 0.457 0.000 1.182 1632 R CB 0.174 30.878 30.300 0.673 0.000 1.097 1632 R HN -0.030 nan 8.270 nan 0.000 0.504 1633 F N 1.763 122.045 119.950 0.554 0.000 2.402 1633 F HA 0.281 4.798 4.527 -0.016 0.000 0.355 1633 F C 0.518 176.670 175.800 0.587 0.000 1.123 1633 F CA -1.457 56.938 58.000 0.659 0.000 1.021 1633 F CB 1.748 40.984 39.000 0.394 0.000 1.160 1633 F HN 0.457 nan 8.300 nan 0.000 0.451 1634 K N 1.646 122.475 120.400 0.715 0.000 2.276 1634 K HA 0.141 4.451 4.320 -0.016 0.000 0.259 1634 K C 0.722 177.562 176.600 0.399 0.000 1.001 1634 K CA -0.258 56.344 56.287 0.524 0.000 0.927 1634 K CB 0.299 33.042 32.500 0.404 0.000 0.969 1634 K HN 0.524 nan 8.250 nan 0.000 0.490 1635 T N 1.293 116.055 114.554 0.346 0.000 2.685 1635 T HA -0.167 4.173 4.350 -0.016 0.000 0.268 1635 T C 1.132 175.958 174.700 0.210 0.000 1.034 1635 T CA 1.938 64.177 62.100 0.230 0.000 1.149 1635 T CB -0.196 68.840 68.868 0.279 0.000 0.860 1635 T HN 0.526 nan 8.240 nan 0.000 0.449 1636 D N 0.017 120.555 120.400 0.229 0.000 2.117 1636 D HA -0.037 4.593 4.640 -0.016 0.000 0.197 1636 D C 1.770 178.212 176.300 0.236 0.000 0.987 1636 D CA 0.777 54.893 54.000 0.193 0.000 0.829 1636 D CB -0.323 40.579 40.800 0.169 0.000 0.961 1636 D HN 0.308 nan 8.370 nan 0.000 0.460 1637 F N 1.561 121.585 119.950 0.123 0.000 2.098 1637 F HA -0.097 4.420 4.527 -0.017 0.000 0.294 1637 F C 2.161 178.099 175.800 0.229 0.000 1.107 1637 F CA 0.511 58.566 58.000 0.092 0.000 1.234 1637 F CB -0.752 38.316 39.000 0.114 0.000 1.002 1637 F HN -0.136 nan 8.300 nan 0.000 0.472 1638 L N -0.245 121.155 121.223 0.295 0.000 2.089 1638 L HA -0.227 4.103 4.340 -0.016 0.000 0.213 1638 L C 2.531 179.563 176.870 0.271 0.000 1.079 1638 L CA 2.295 57.312 54.840 0.295 0.000 0.758 1638 L CB -1.346 40.850 42.059 0.229 0.000 0.891 1638 L HN 0.297 nan 8.230 nan 0.000 0.433 1639 S N -0.761 115.061 115.700 0.203 0.000 2.355 1639 S HA -0.253 4.207 4.470 -0.016 0.000 0.222 1639 S C 2.165 176.831 174.600 0.111 0.000 1.031 1639 S CA 1.455 59.771 58.200 0.194 0.000 0.993 1639 S CB -0.382 62.889 63.200 0.118 0.000 0.859 1639 S HN 0.572 nan 8.310 nan 0.000 0.453 1640 K N -0.920 119.464 120.400 -0.027 0.000 2.286 1640 K HA -0.161 4.149 4.320 -0.016 0.000 0.203 1640 K C 1.468 177.857 176.600 -0.352 0.000 1.045 1640 K CA 1.541 57.708 56.287 -0.200 0.000 0.935 1640 K CB -0.274 32.065 32.500 -0.269 0.000 0.737 1640 K HN 0.558 nan 8.250 nan 0.000 0.460 1641 W N -0.697 120.397 121.300 -0.343 0.000 2.584 1641 W HA 0.015 4.665 4.660 -0.016 0.000 0.264 1641 W C 0.801 177.214 176.519 -0.178 0.000 1.264 1641 W CA 0.077 57.190 57.345 -0.388 0.000 1.306 1641 W CB 0.173 29.287 29.460 -0.577 0.000 1.110 1641 W HN -0.025 nan 8.180 nan 0.000 0.606 1642 F N -1.336 118.738 119.950 0.206 0.000 2.647 1642 F HA 0.270 4.788 4.527 -0.016 0.000 0.300 1642 F C 1.052 176.797 175.800 -0.093 0.000 1.106 1642 F CA 0.155 58.179 58.000 0.039 0.000 1.313 1642 F CB 0.140 39.103 39.000 -0.060 0.000 1.007 1642 F HN -0.333 nan 8.300 nan 0.000 0.536 1643 V N -1.158 118.860 119.914 0.174 0.000 3.686 1643 V HA 0.143 4.254 4.120 -0.016 0.000 0.299 1643 V C 0.611 176.703 176.094 -0.004 0.000 1.607 1643 V CA 0.310 62.651 62.300 0.070 0.000 1.172 1643 V CB 1.137 32.970 31.823 0.015 0.000 0.972 1643 V HN -0.039 nan 8.190 nan 0.000 0.442 1644 V N 0.433 120.282 119.914 -0.109 0.000 3.427 1644 V HA 0.439 4.550 4.120 -0.016 0.000 0.305 1644 V C -0.119 175.601 176.094 -0.623 0.000 1.412 1644 V CA 0.492 62.530 62.300 -0.438 0.000 1.086 1644 V CB 0.268 31.653 31.823 -0.730 0.000 0.964 1644 V HN 0.335 nan 8.190 nan 0.000 0.439 1645 F N 0.305 120.214 119.950 -0.068 0.000 2.561 1645 F HA 0.613 5.130 4.527 -0.016 0.000 0.321 1645 F C -2.185 173.392 175.800 -0.372 0.000 1.065 1645 F CA -3.062 54.711 58.000 -0.379 0.000 0.934 1645 F CB 0.868 39.317 39.000 -0.918 0.000 1.215 1645 F HN -0.163 nan 8.300 nan 0.000 0.471 1646 P HA 0.051 nan 4.420 nan 0.000 0.265 1646 P C 0.741 177.698 177.300 -0.572 0.000 1.187 1646 P CA 0.529 63.252 63.100 -0.628 0.000 0.766 1646 P CB 0.687 31.541 31.700 -1.409 0.000 0.820 1647 G N 2.286 110.970 108.800 -0.193 0.000 2.422 1647 G HA2 -0.263 3.687 3.960 -0.016 0.000 0.218 1647 G HA3 -0.263 3.687 3.960 -0.016 0.000 0.218 1647 G C 1.066 175.967 174.900 0.002 0.000 1.146 1647 G CA 0.560 45.699 45.100 0.066 0.000 0.769 1647 G HN 0.585 nan 8.290 nan 0.000 0.547 1648 F N 1.142 121.077 119.950 -0.025 0.000 2.234 1648 F HA 0.295 4.812 4.527 -0.016 0.000 0.299 1648 F C 2.685 178.433 175.800 -0.087 0.000 1.087 1648 F CA 0.266 58.244 58.000 -0.037 0.000 1.340 1648 F CB -0.990 37.982 39.000 -0.048 0.000 1.031 1648 F HN 0.186 nan 8.300 nan 0.000 0.500 1649 A N 0.604 122.889 122.820 -0.893 0.000 1.917 1649 A HA -0.215 4.095 4.320 -0.016 0.000 0.219 1649 A C 2.052 179.392 177.584 -0.407 0.000 1.182 1649 A CA 1.956 53.526 52.037 -0.778 0.000 0.633 1649 A CB -1.610 16.516 19.000 -1.456 0.000 0.819 1649 A HN 0.568 nan 8.150 nan 0.000 0.448 1650 Y N 0.202 120.373 120.300 -0.214 0.000 2.263 1650 Y HA -0.147 4.393 4.550 -0.016 0.000 0.292 1650 Y C 2.283 178.123 175.900 -0.099 0.000 1.130 1650 Y CA 1.168 59.194 58.100 -0.123 0.000 1.179 1650 Y CB -0.197 38.244 38.460 -0.033 0.000 0.998 1650 Y HN 0.284 nan 8.280 nan 0.000 0.532 1651 D N -0.241 120.216 120.400 0.095 0.000 2.144 1651 D HA -0.150 4.481 4.640 -0.016 0.000 0.200 1651 D C 1.373 177.676 176.300 0.005 0.000 0.978 1651 D CA 1.011 55.047 54.000 0.059 0.000 0.833 1651 D CB -0.440 40.417 40.800 0.095 0.000 0.961 1651 D HN 0.339 nan 8.370 nan 0.000 0.470 1652 N N 0.513 119.224 118.700 0.019 0.000 2.573 1652 N HA -0.054 4.677 4.740 -0.016 0.000 0.187 1652 N C 0.075 175.434 175.510 -0.253 0.000 1.107 1652 N CA 0.080 53.133 53.050 0.005 0.000 0.918 1652 N CB 0.359 38.969 38.487 0.204 0.000 0.966 1652 N HN 0.042 nan 8.380 nan 0.000 0.448 1653 V N 1.693 121.348 119.914 -0.432 0.000 2.359 1653 V HA -0.030 4.080 4.120 -0.016 0.000 0.248 1653 V C 1.690 177.588 176.094 -0.326 0.000 1.091 1653 V CA 0.180 62.079 62.300 -0.668 0.000 1.103 1653 V CB 0.270 31.776 31.823 -0.528 0.000 1.176 1653 V HN 0.193 nan 8.190 nan 0.000 0.488 1654 S N 3.603 119.153 115.700 -0.251 0.000 2.383 1654 S HA 0.055 4.515 4.470 -0.016 0.000 0.229 1654 S C 0.774 175.292 174.600 -0.137 0.000 1.030 1654 S CA 1.209 59.340 58.200 -0.116 0.000 1.002 1654 S CB 0.090 63.273 63.200 -0.028 0.000 0.829 1654 S HN 1.117 nan 8.310 nan 0.000 0.467 1655 A N -0.699 122.004 122.820 -0.196 0.000 2.605 1655 A HA 0.615 4.925 4.320 -0.016 0.000 0.294 1655 A C -1.578 175.768 177.584 -0.397 0.000 1.062 1655 A CA -0.545 51.288 52.037 -0.339 0.000 0.682 1655 A CB 1.504 20.236 19.000 -0.447 0.000 1.278 1655 A HN 0.240 nan 8.150 nan 0.000 0.410 1656 V N 2.404 122.012 119.914 -0.510 0.000 2.398 1656 V HA 0.342 4.452 4.120 -0.016 0.000 0.282 1656 V C -1.443 174.349 176.094 -0.502 0.000 1.014 1656 V CA -0.324 61.754 62.300 -0.370 0.000 0.838 1656 V CB 0.597 32.270 31.823 -0.250 0.000 1.018 1656 V HN 0.720 nan 8.190 nan 0.000 0.432 1657 Y N 4.750 124.937 120.300 -0.188 0.000 2.359 1657 Y HA 0.506 5.048 4.550 -0.014 0.000 0.334 1657 Y C 0.478 176.270 175.900 -0.180 0.000 1.058 1657 Y CA -0.475 57.507 58.100 -0.196 0.000 1.244 1657 Y CB 0.773 39.123 38.460 -0.183 0.000 1.187 1657 Y HN 0.445 nan 8.280 nan 0.000 0.510 1658 I N 4.994 125.464 120.570 -0.167 0.000 2.330 1658 I HA 0.159 4.320 4.170 -0.016 0.000 0.286 1658 I C -0.922 175.216 176.117 0.034 0.000 1.025 1658 I CA -0.702 60.472 61.300 -0.210 0.000 1.197 1658 I CB 0.559 38.107 38.000 -0.754 0.000 1.358 1658 I HN 0.577 nan 8.210 nan 0.000 0.467 1659 Y N 6.711 127.026 120.300 0.024 0.000 2.330 1659 Y HA 0.302 4.843 4.550 -0.015 0.000 0.336 1659 Y C 0.806 176.775 175.900 0.115 0.000 1.036 1659 Y CA -0.348 57.807 58.100 0.092 0.000 1.125 1659 Y CB 0.919 39.441 38.460 0.103 0.000 1.194 1659 Y HN 0.645 nan 8.280 nan 0.000 0.469 1660 N N 3.170 121.440 118.700 -0.717 0.000 2.756 1660 N HA -0.288 4.442 4.740 -0.016 0.000 0.248 1660 N C -0.930 174.498 175.510 -0.137 0.000 1.062 1660 N CA 0.195 52.921 53.050 -0.540 0.000 0.696 1660 N CB -0.930 37.151 38.487 -0.677 0.000 0.946 1660 N HN 0.575 nan 8.380 nan 0.000 0.548 1661 C N 1.586 120.893 119.300 0.011 0.000 2.653 1661 C HA 0.234 4.684 4.460 -0.016 0.000 0.421 1661 C C 0.778 175.809 174.990 0.068 0.000 1.334 1661 C CA -0.209 58.874 59.018 0.108 0.000 1.885 1661 C CB -0.747 27.160 27.740 0.278 0.000 2.645 1661 C HN 0.572 nan 8.230 nan 0.000 0.601 1662 N N 2.640 121.384 118.700 0.073 0.000 2.619 1662 N HA 0.347 5.077 4.740 -0.016 0.000 0.294 1662 N C 0.672 176.231 175.510 0.081 0.000 1.279 1662 N CA -0.158 52.926 53.050 0.056 0.000 0.867 1662 N CB 1.281 39.780 38.487 0.020 0.000 1.329 1662 N HN 0.633 nan 8.380 nan 0.000 0.557 1663 S N -1.105 114.645 115.700 0.083 0.000 2.423 1663 S HA -0.164 4.296 4.470 -0.016 0.000 0.231 1663 S C 1.435 176.080 174.600 0.075 0.000 1.014 1663 S CA 0.347 58.592 58.200 0.074 0.000 0.965 1663 S CB -0.737 62.515 63.200 0.087 0.000 0.785 1663 S HN 0.788 nan 8.310 nan 0.000 0.495 1664 W N 2.284 123.590 121.300 0.010 0.000 2.409 1664 W HA 0.044 4.694 4.660 -0.016 0.000 0.299 1664 W C 1.961 178.526 176.519 0.076 0.000 1.203 1664 W CA 0.916 58.275 57.345 0.023 0.000 1.298 1664 W CB -0.381 29.063 29.460 -0.026 0.000 1.127 1664 W HN 0.094 nan 8.180 nan 0.000 0.528 1665 V N 1.506 121.433 119.914 0.022 0.000 2.427 1665 V HA -0.284 3.827 4.120 -0.016 0.000 0.248 1665 V C 2.534 178.571 176.094 -0.095 0.000 1.051 1665 V CA 2.288 64.515 62.300 -0.122 0.000 1.048 1665 V CB -1.032 30.852 31.823 0.102 0.000 0.666 1665 V HN 0.243 nan 8.190 nan 0.000 0.456 1666 R N 0.383 120.858 120.500 -0.041 0.000 2.080 1666 R HA -0.241 4.089 4.340 -0.016 0.000 0.236 1666 R C 2.314 178.564 176.300 -0.084 0.000 1.137 1666 R CA 2.130 58.213 56.100 -0.029 0.000 0.943 1666 R CB -0.290 29.995 30.300 -0.025 0.000 0.846 1666 R HN 0.432 nan 8.270 nan 0.000 0.431 1667 E N -0.324 119.781 120.200 -0.159 0.000 2.204 1667 E HA -0.212 4.129 4.350 -0.016 0.000 0.195 1667 E C 1.551 178.015 176.600 -0.227 0.000 0.990 1667 E CA 1.221 57.511 56.400 -0.184 0.000 0.821 1667 E CB -0.355 29.221 29.700 -0.207 0.000 0.750 1667 E HN 0.558 nan 8.360 nan 0.000 0.477 1668 Y N -0.348 119.626 120.300 -0.543 0.000 2.263 1668 Y HA -0.078 4.463 4.550 -0.015 0.000 0.292 1668 Y C 2.209 178.057 175.900 -0.087 0.000 1.130 1668 Y CA 1.809 59.639 58.100 -0.450 0.000 1.179 1668 Y CB -0.389 37.518 38.460 -0.921 0.000 0.998 1668 Y HN -0.045 nan 8.280 nan 0.000 0.532 1669 T N 0.556 115.135 114.554 0.041 0.000 2.962 1669 T HA -0.112 4.229 4.350 -0.016 0.000 0.270 1669 T C 1.581 176.259 174.700 -0.037 0.000 1.088 1669 T CA 1.593 63.722 62.100 0.047 0.000 1.127 1669 T CB -0.085 68.840 68.868 0.094 0.000 0.883 1669 T HN 0.377 nan 8.240 nan 0.000 0.493 1670 K N -0.594 119.769 120.400 -0.062 0.000 2.166 1670 K HA 0.073 4.383 4.320 -0.016 0.000 0.201 1670 K C 1.892 178.440 176.600 -0.086 0.000 1.052 1670 K CA 0.491 56.739 56.287 -0.065 0.000 0.969 1670 K CB -0.142 32.327 32.500 -0.053 0.000 0.761 1670 K HN 0.267 nan 8.250 nan 0.000 0.459 1671 Y N 1.258 121.392 120.300 -0.278 0.000 2.242 1671 Y HA -0.162 4.378 4.550 -0.016 0.000 0.291 1671 Y C 1.351 176.950 175.900 -0.502 0.000 1.137 1671 Y CA 1.502 59.367 58.100 -0.391 0.000 1.181 1671 Y CB 0.143 38.306 38.460 -0.495 0.000 0.989 1671 Y HN 0.122 nan 8.280 nan 0.000 0.527 1672 H N -0.231 118.647 119.070 -0.319 0.000 2.488 1672 H HA 0.128 4.675 4.556 -0.016 0.000 0.294 1672 H C 1.338 176.529 175.328 -0.228 0.000 1.088 1672 H CA 0.293 56.126 56.048 -0.358 0.000 1.086 1672 H CB 0.309 29.800 29.762 -0.452 0.000 1.569 1672 H HN 0.339 nan 8.280 nan 0.000 0.548 1673 E N 1.680 121.807 120.200 -0.122 0.000 2.209 1673 E HA -0.155 4.185 4.350 -0.016 0.000 0.196 1673 E C 2.303 178.842 176.600 -0.102 0.000 0.993 1673 E CA 0.637 56.981 56.400 -0.092 0.000 0.819 1673 E CB -0.014 29.631 29.700 -0.092 0.000 0.745 1673 E HN 0.316 nan 8.360 nan 0.000 0.477 1674 R N -0.112 120.317 120.500 -0.118 0.000 2.091 1674 R HA -0.113 4.217 4.340 -0.016 0.000 0.238 1674 R C 2.073 178.307 176.300 -0.111 0.000 1.136 1674 R CA 1.415 57.449 56.100 -0.110 0.000 0.959 1674 R CB -0.246 29.986 30.300 -0.112 0.000 0.856 1674 R HN 0.301 nan 8.270 nan 0.000 0.437 1675 L N 0.264 121.437 121.223 -0.084 0.000 2.354 1675 L HA 0.043 4.374 4.340 -0.016 0.000 0.212 1675 L C 1.654 178.377 176.870 -0.245 0.000 1.091 1675 L CA 0.287 55.057 54.840 -0.117 0.000 0.828 1675 L CB 0.128 42.198 42.059 0.019 0.000 0.973 1675 L HN 0.179 nan 8.230 nan 0.000 0.461 1676 L N -0.908 120.240 121.223 -0.125 0.000 2.653 1676 L HA 0.027 4.357 4.340 -0.016 0.000 0.232 1676 L C 2.158 178.938 176.870 -0.150 0.000 1.169 1676 L CA -0.088 54.686 54.840 -0.110 0.000 0.951 1676 L CB -0.349 41.734 42.059 0.039 0.000 1.181 1676 L HN 0.134 nan 8.230 nan 0.000 0.460 1677 T N 0.459 114.896 114.554 -0.193 0.000 2.720 1677 T HA -0.175 4.165 4.350 -0.016 0.000 0.268 1677 T C 1.936 176.539 174.700 -0.162 0.000 1.037 1677 T CA 1.995 64.001 62.100 -0.156 0.000 1.144 1677 T CB -0.072 68.703 68.868 -0.156 0.000 0.864 1677 T HN 0.561 nan 8.240 nan 0.000 0.444 1678 G N 0.949 109.599 108.800 -0.250 0.000 2.432 1678 G HA2 -0.064 3.887 3.960 -0.016 0.000 0.219 1678 G HA3 -0.064 3.887 3.960 -0.016 0.000 0.219 1678 G C 1.480 176.313 174.900 -0.111 0.000 1.135 1678 G CA 0.690 45.666 45.100 -0.205 0.000 0.767 1678 G HN 0.568 nan 8.290 nan 0.000 0.550 1679 L N -0.251 120.923 121.223 -0.081 0.000 2.395 1679 L HA 0.150 4.481 4.340 -0.016 0.000 0.218 1679 L C 1.467 178.344 176.870 0.012 0.000 1.130 1679 L CA 0.090 54.934 54.840 0.006 0.000 0.826 1679 L CB -0.279 41.824 42.059 0.073 0.000 0.941 1679 L HN 0.078 nan 8.230 nan 0.000 0.451 1680 K N 0.882 121.272 120.400 -0.016 0.000 2.484 1680 K HA 0.123 4.434 4.320 -0.016 0.000 0.280 1680 K C 1.240 177.833 176.600 -0.010 0.000 1.013 1680 K CA 0.850 57.131 56.287 -0.010 0.000 1.029 1680 K CB 0.415 32.894 32.500 -0.035 0.000 0.902 1680 K HN 0.215 nan 8.250 nan 0.000 0.481 1681 G N 2.176 110.977 108.800 0.002 0.000 2.302 1681 G HA2 -0.357 3.593 3.960 -0.016 0.000 0.263 1681 G HA3 -0.357 3.593 3.960 -0.016 0.000 0.263 1681 G C 0.226 175.130 174.900 0.005 0.000 0.995 1681 G CA 0.650 45.749 45.100 -0.003 0.000 0.622 1681 G HN 0.725 nan 8.290 nan 0.000 0.538 1682 S N 0.662 116.367 115.700 0.008 0.000 2.737 1682 S HA 0.153 4.613 4.470 -0.016 0.000 0.315 1682 S C 1.774 176.375 174.600 0.001 0.000 1.236 1682 S CA 1.116 59.316 58.200 -0.001 0.000 1.093 1682 S CB 0.313 63.511 63.200 -0.005 0.000 0.832 1682 S HN 0.511 nan 8.310 nan 0.000 0.507 1683 K N 3.913 124.307 120.400 -0.009 0.000 2.209 1683 K HA -0.104 4.206 4.320 -0.016 0.000 0.204 1683 K C 2.060 178.636 176.600 -0.040 0.000 1.048 1683 K CA 1.366 57.647 56.287 -0.010 0.000 0.940 1683 K CB -0.062 32.433 32.500 -0.008 0.000 0.729 1683 K HN 0.649 nan 8.250 nan 0.000 0.451 1684 R N 0.676 121.137 120.500 -0.064 0.000 2.241 1684 R HA -0.007 4.323 4.340 -0.016 0.000 0.224 1684 R C 0.362 176.543 176.300 -0.198 0.000 1.101 1684 R CA 0.546 56.571 56.100 -0.125 0.000 0.995 1684 R CB -0.304 29.926 30.300 -0.115 0.000 0.870 1684 R HN 0.084 nan 8.270 nan 0.000 0.463 1685 L N 2.026 123.166 121.223 -0.139 0.000 2.261 1685 L HA 0.251 4.581 4.340 -0.016 0.000 0.289 1685 L C -0.582 176.188 176.870 -0.166 0.000 1.059 1685 L CA -0.618 54.099 54.840 -0.206 0.000 0.816 1685 L CB 1.513 43.501 42.059 -0.119 0.000 1.191 1685 L HN -0.112 nan 8.230 nan 0.000 0.431 1686 V N 4.009 123.735 119.914 -0.313 0.000 2.334 1686 V HA 0.297 4.407 4.120 -0.016 0.000 0.281 1686 V C -0.079 175.945 176.094 -0.117 0.000 1.016 1686 V CA -0.504 61.705 62.300 -0.153 0.000 0.832 1686 V CB 0.951 32.622 31.823 -0.253 0.000 0.999 1686 V HN 0.351 nan 8.190 nan 0.000 0.439 1687 F N 5.223 125.175 119.950 0.005 0.000 2.467 1687 F HA 0.433 4.950 4.527 -0.016 0.000 0.362 1687 F C 0.406 176.276 175.800 0.116 0.000 1.090 1687 F CA -0.330 57.704 58.000 0.056 0.000 1.202 1687 F CB 0.668 39.689 39.000 0.035 0.000 1.113 1687 F HN 0.225 nan 8.300 nan 0.000 0.541 1688 I N 3.908 124.645 120.570 0.279 0.000 2.412 1688 I HA 0.156 4.316 4.170 -0.016 0.000 0.296 1688 I C 0.776 177.108 176.117 0.358 0.000 0.987 1688 I CA -0.503 60.981 61.300 0.307 0.000 1.180 1688 I CB 1.492 39.675 38.000 0.305 0.000 1.340 1688 I HN 0.609 nan 8.210 nan 0.000 0.455 1689 D N 3.773 124.367 120.400 0.322 0.000 2.149 1689 D HA -0.000 4.630 4.640 -0.016 0.000 0.206 1689 D C 0.571 177.078 176.300 0.344 0.000 0.967 1689 D CA 1.238 55.404 54.000 0.278 0.000 0.848 1689 D CB 0.595 41.526 40.800 0.218 0.000 0.998 1689 D HN 0.689 nan 8.370 nan 0.000 0.474 1690 C N -1.809 117.703 119.300 0.353 0.000 3.044 1690 C HA 0.506 4.956 4.460 -0.016 0.000 0.315 1690 C C -1.932 173.141 174.990 0.138 0.000 1.320 1690 C CA -1.793 57.430 59.018 0.341 0.000 1.582 1690 C CB 1.677 29.523 27.740 0.178 0.000 2.039 1690 C HN -0.091 nan 8.230 nan 0.000 0.466 1691 P HA 0.077 nan 4.420 nan 0.000 0.220 1691 P C 1.630 178.894 177.300 -0.060 0.000 1.148 1691 P CA 2.252 65.237 63.100 -0.191 0.000 0.803 1691 P CB -0.068 31.532 31.700 -0.166 0.000 0.782 1692 G N -0.124 108.680 108.800 0.006 0.000 2.443 1692 G HA2 -0.193 3.758 3.960 -0.016 0.000 0.219 1692 G HA3 -0.193 3.758 3.960 -0.016 0.000 0.219 1692 G C 1.589 176.521 174.900 0.053 0.000 1.131 1692 G CA 0.560 45.676 45.100 0.027 0.000 0.775 1692 G HN 0.179 nan 8.290 nan 0.000 0.547 1693 K N -0.222 120.227 120.400 0.083 0.000 2.365 1693 K HA 0.159 4.469 4.320 -0.016 0.000 0.197 1693 K C 2.187 178.865 176.600 0.129 0.000 1.042 1693 K CA 0.180 56.547 56.287 0.132 0.000 0.987 1693 K CB 0.014 32.613 32.500 0.165 0.000 0.779 1693 K HN 0.410 nan 8.250 nan 0.000 0.484 1694 L N 0.367 121.607 121.223 0.028 0.000 2.209 1694 L HA 0.145 4.475 4.340 -0.016 0.000 0.207 1694 L C 1.989 178.798 176.870 -0.101 0.000 1.094 1694 L CA 1.406 56.185 54.840 -0.102 0.000 0.790 1694 L CB -0.553 41.416 42.059 -0.149 0.000 0.932 1694 L HN 0.009 nan 8.230 nan 0.000 0.447 1695 A N -0.397 122.404 122.820 -0.032 0.000 1.933 1695 A HA -0.192 4.118 4.320 -0.016 0.000 0.218 1695 A C 2.103 179.689 177.584 0.004 0.000 1.175 1695 A CA 1.623 53.647 52.037 -0.020 0.000 0.628 1695 A CB -0.629 18.367 19.000 -0.006 0.000 0.814 1695 A HN 0.615 nan 8.150 nan 0.000 0.444 1696 E N -0.859 119.375 120.200 0.056 0.000 2.171 1696 E HA -0.231 4.109 4.350 -0.016 0.000 0.197 1696 E C 1.000 177.564 176.600 -0.060 0.000 0.997 1696 E CA 1.475 57.884 56.400 0.015 0.000 0.810 1696 E CB -0.242 29.480 29.700 0.036 0.000 0.738 1696 E HN 0.841 nan 8.360 nan 0.000 0.467 1697 H N -0.952 118.051 119.070 -0.111 0.000 2.524 1697 H HA 0.275 4.821 4.556 -0.017 0.000 0.280 1697 H C 0.124 175.351 175.328 -0.168 0.000 1.018 1697 H CA 0.168 56.143 56.048 -0.122 0.000 1.165 1697 H CB 0.116 29.773 29.762 -0.176 0.000 1.411 1697 H HN 0.023 nan 8.280 nan 0.000 0.569 1698 I N 0.381 120.922 120.570 -0.050 0.000 2.957 1698 I HA 0.146 4.306 4.170 -0.016 0.000 0.310 1698 I C 0.071 176.153 176.117 -0.059 0.000 1.063 1698 I CA -1.465 59.800 61.300 -0.059 0.000 1.033 1698 I CB 2.043 40.008 38.000 -0.059 0.000 1.230 1698 I HN 0.183 nan 8.210 nan 0.000 0.447 1699 E N 4.018 124.196 120.200 -0.037 0.000 2.481 1699 E HA -0.100 4.241 4.350 -0.016 0.000 0.240 1699 E C -0.551 176.055 176.600 0.010 0.000 1.193 1699 E CA 0.059 56.431 56.400 -0.047 0.000 0.955 1699 E CB -0.461 29.259 29.700 0.033 0.000 1.006 1699 E HN 0.546 nan 8.360 nan 0.000 0.483 1700 H N 2.496 121.565 119.070 -0.001 0.000 2.713 1700 H HA -0.192 4.354 4.556 -0.016 0.000 0.311 1700 H C -0.313 175.011 175.328 -0.006 0.000 1.175 1700 H CA 1.179 57.225 56.048 -0.004 0.000 1.143 1700 H CB -1.528 28.232 29.762 -0.002 0.000 1.434 1700 H HN 0.925 nan 8.280 nan 0.000 0.418 1701 E N -1.520 118.703 120.200 0.038 0.000 2.539 1701 E HA -0.295 4.045 4.350 -0.016 0.000 0.253 1701 E C 0.381 176.996 176.600 0.026 0.000 1.145 1701 E CA 0.822 57.236 56.400 0.024 0.000 0.738 1701 E CB -0.707 29.009 29.700 0.028 0.000 1.308 1701 E HN 0.506 nan 8.360 nan 0.000 0.409 1702 Q N 1.371 121.191 119.800 0.033 0.000 3.150 1702 Q HA 0.083 4.414 4.340 -0.016 0.000 0.297 1702 Q C -0.433 175.579 176.000 0.021 0.000 1.382 1702 Q CA -0.190 55.627 55.803 0.025 0.000 1.059 1702 Q CB 0.176 28.935 28.738 0.036 0.000 1.559 1702 Q HN 0.265 nan 8.270 nan 0.000 0.548 1703 Q N 0.414 120.222 119.800 0.012 0.000 2.313 1703 Q HA 0.176 4.506 4.340 -0.016 0.000 0.266 1703 Q C -0.451 175.541 176.000 -0.013 0.000 0.989 1703 Q CA 0.073 55.903 55.803 0.044 0.000 0.890 1703 Q CB 0.929 29.670 28.738 0.005 0.000 1.200 1703 Q HN -0.031 nan 8.270 nan 0.000 0.396 1704 K N 3.466 123.827 120.400 -0.064 0.000 3.095 1704 K HA 0.280 4.590 4.320 -0.016 0.000 0.220 1704 K C -0.439 175.774 176.600 -0.645 0.000 1.216 1704 K CA -0.224 55.842 56.287 -0.369 0.000 1.167 1704 K CB -0.029 32.238 32.500 -0.389 0.000 1.199 1704 K HN 0.696 nan 8.250 nan 0.000 0.458 1705 L N 2.001 123.068 121.223 -0.260 0.000 2.483 1705 L HA 0.071 4.401 4.340 -0.016 0.000 0.275 1705 L C -1.877 174.934 176.870 -0.098 0.000 1.220 1705 L CA -1.514 53.266 54.840 -0.101 0.000 0.833 1705 L CB -0.052 41.974 42.059 -0.056 0.000 1.102 1705 L HN -0.032 nan 8.230 nan 0.000 0.490 1706 P HA -0.112 nan 4.420 nan 0.000 0.266 1706 P C -0.039 177.233 177.300 -0.047 0.000 1.186 1706 P CA 0.262 63.346 63.100 -0.026 0.000 0.767 1706 P CB 0.596 32.331 31.700 0.058 0.000 0.820 1707 A N 3.666 126.436 122.820 -0.082 0.000 1.883 1707 A HA -0.216 4.095 4.320 -0.016 0.000 0.217 1707 A C 2.184 179.748 177.584 -0.033 0.000 1.186 1707 A CA 2.371 54.368 52.037 -0.066 0.000 0.624 1707 A CB -1.739 17.213 19.000 -0.080 0.000 0.822 1707 A HN 0.569 nan 8.150 nan 0.000 0.444 1708 A N -1.068 121.736 122.820 -0.027 0.000 1.892 1708 A HA -0.185 4.125 4.320 -0.016 0.000 0.218 1708 A C 2.342 179.946 177.584 0.034 0.000 1.188 1708 A CA 2.648 54.677 52.037 -0.013 0.000 0.631 1708 A CB -1.500 17.492 19.000 -0.013 0.000 0.822 1708 A HN 0.461 nan 8.150 nan 0.000 0.447 1709 T N 0.445 115.044 114.554 0.074 0.000 2.622 1709 T HA -0.129 4.211 4.350 -0.016 0.000 0.266 1709 T C 1.821 176.592 174.700 0.118 0.000 1.047 1709 T CA 1.626 63.813 62.100 0.145 0.000 1.159 1709 T CB -0.491 68.496 68.868 0.199 0.000 0.863 1709 T HN 0.378 nan 8.240 nan 0.000 0.422 1710 L N 0.881 122.135 121.223 0.051 0.000 2.127 1710 L HA -0.160 4.170 4.340 -0.016 0.000 0.211 1710 L C 2.996 179.887 176.870 0.034 0.000 1.089 1710 L CA 1.103 55.959 54.840 0.027 0.000 0.757 1710 L CB -0.767 41.282 42.059 -0.017 0.000 0.899 1710 L HN 0.251 nan 8.230 nan 0.000 0.434 1711 A N 0.578 123.412 122.820 0.023 0.000 1.873 1711 A HA -0.228 4.083 4.320 -0.016 0.000 0.218 1711 A C 2.187 179.791 177.584 0.034 0.000 1.193 1711 A CA 1.773 53.818 52.037 0.013 0.000 0.629 1711 A CB -0.931 18.064 19.000 -0.008 0.000 0.826 1711 A HN 0.416 nan 8.150 nan 0.000 0.447 1712 L N -0.460 120.799 121.223 0.059 0.000 2.450 1712 L HA -0.167 4.163 4.340 -0.016 0.000 0.225 1712 L C 1.980 178.899 176.870 0.081 0.000 1.145 1712 L CA 0.868 55.755 54.840 0.079 0.000 0.801 1712 L CB -0.484 41.646 42.059 0.119 0.000 0.924 1712 L HN 0.340 nan 8.230 nan 0.000 0.447 1713 E N 0.282 120.530 120.200 0.080 0.000 2.442 1713 E HA 0.005 4.345 4.350 -0.016 0.000 0.195 1713 E C 0.555 177.184 176.600 0.048 0.000 1.030 1713 E CA 0.213 56.659 56.400 0.076 0.000 0.869 1713 E CB 0.166 29.916 29.700 0.084 0.000 0.857 1713 E HN 0.638 nan 8.360 nan 0.000 0.505 1714 E N 0.519 120.741 120.200 0.036 0.000 2.212 1714 E HA 0.252 4.592 4.350 -0.016 0.000 0.270 1714 E C -0.876 175.738 176.600 0.023 0.000 0.956 1714 E CA -0.605 55.810 56.400 0.025 0.000 0.825 1714 E CB 0.951 30.661 29.700 0.016 0.000 1.167 1714 E HN -0.296 nan 8.360 nan 0.000 0.400 1715 D N 0.206 120.617 120.400 0.019 0.000 2.705 1715 D HA -0.147 4.484 4.640 -0.016 0.000 0.240 1715 D C -1.426 174.888 176.300 0.023 0.000 1.137 1715 D CA 0.523 54.534 54.000 0.019 0.000 0.677 1715 D CB -0.955 39.859 40.800 0.024 0.000 1.049 1715 D HN 0.247 nan 8.370 nan 0.000 0.427 1716 L N 0.409 121.641 121.223 0.015 0.000 2.282 1716 L HA 0.369 4.699 4.340 -0.016 0.000 0.288 1716 L C 0.608 177.468 176.870 -0.017 0.000 1.033 1716 L CA -0.378 54.469 54.840 0.012 0.000 0.807 1716 L CB 1.535 43.601 42.059 0.011 0.000 1.209 1716 L HN -0.006 nan 8.230 nan 0.000 0.423 1717 K N 2.876 123.270 120.400 -0.011 0.000 2.267 1717 K HA 0.537 4.848 4.320 -0.016 0.000 0.282 1717 K C -1.232 175.276 176.600 -0.153 0.000 1.078 1717 K CA -0.418 55.814 56.287 -0.091 0.000 0.903 1717 K CB 0.696 33.200 32.500 0.008 0.000 1.111 1717 K HN 0.392 nan 8.250 nan 0.000 0.475 1718 V N 5.636 125.370 119.914 -0.300 0.000 2.435 1718 V HA 0.402 4.512 4.120 -0.016 0.000 0.290 1718 V C -0.715 175.032 176.094 -0.579 0.000 1.030 1718 V CA -0.737 61.358 62.300 -0.342 0.000 0.881 1718 V CB 0.855 32.486 31.823 -0.319 0.000 0.983 1718 V HN 0.554 nan 8.190 nan 0.000 0.445 1719 F N 3.414 123.147 119.950 -0.361 0.000 2.382 1719 F HA 0.545 5.062 4.527 -0.016 0.000 0.361 1719 F C 0.548 176.130 175.800 -0.363 0.000 1.109 1719 F CA -0.481 57.303 58.000 -0.362 0.000 1.031 1719 F CB 0.662 39.329 39.000 -0.555 0.000 1.234 1719 F HN 0.539 nan 8.300 nan 0.000 0.445 1720 H N 0.673 119.819 119.070 0.127 0.000 2.505 1720 H HA 0.311 4.857 4.556 -0.017 0.000 0.358 1720 H C 0.402 175.891 175.328 0.269 0.000 1.304 1720 H CA -0.545 55.589 56.048 0.144 0.000 1.393 1720 H CB 0.362 30.178 29.762 0.091 0.000 1.591 1720 H HN 0.491 nan 8.280 nan 0.000 0.595 1721 N N -1.367 117.538 118.700 0.341 0.000 2.710 1721 N HA -0.203 4.527 4.740 -0.016 0.000 0.249 1721 N C -1.049 174.671 175.510 0.350 0.000 1.059 1721 N CA 0.649 53.866 53.050 0.278 0.000 0.720 1721 N CB -1.009 37.609 38.487 0.219 0.000 0.983 1721 N HN 0.667 nan 8.380 nan 0.000 0.544 1722 A N -0.426 122.602 122.820 0.347 0.000 2.286 1722 A HA 0.711 5.022 4.320 -0.016 0.000 0.286 1722 A C -0.094 177.651 177.584 0.269 0.000 1.097 1722 A CA -0.355 51.903 52.037 0.369 0.000 0.821 1722 A CB 0.800 19.917 19.000 0.195 0.000 1.076 1722 A HN 0.253 nan 8.150 nan 0.000 0.490 1723 L N 0.869 122.249 121.223 0.262 0.000 2.372 1723 L HA 0.395 4.725 4.340 -0.016 0.000 0.273 1723 L C -0.053 176.907 176.870 0.149 0.000 0.989 1723 L CA -0.287 54.660 54.840 0.179 0.000 0.841 1723 L CB 1.336 43.461 42.059 0.110 0.000 1.225 1723 L HN 0.735 nan 8.230 nan 0.000 0.414 1724 K N 4.220 124.694 120.400 0.122 0.000 2.383 1724 K HA 0.295 4.605 4.320 -0.016 0.000 0.286 1724 K C -0.894 175.587 176.600 -0.198 0.000 1.051 1724 K CA -0.504 55.680 56.287 -0.170 0.000 0.974 1724 K CB 0.455 32.894 32.500 -0.102 0.000 0.968 1724 K HN 0.480 nan 8.250 nan 0.000 0.475 1725 L N 3.899 124.943 121.223 -0.298 0.000 2.290 1725 L HA 0.475 4.805 4.340 -0.016 0.000 0.284 1725 L C 0.081 176.836 176.870 -0.191 0.000 1.078 1725 L CA 0.530 55.255 54.840 -0.193 0.000 0.815 1725 L CB 0.904 42.860 42.059 -0.171 0.000 1.162 1725 L HN 0.915 nan 8.230 nan 0.000 0.435 1726 A N 1.839 124.591 122.820 -0.114 0.000 2.588 1726 A HA 0.260 4.570 4.320 -0.016 0.000 0.309 1726 A C 0.878 178.453 177.584 -0.015 0.000 1.173 1726 A CA -0.275 51.723 52.037 -0.066 0.000 0.631 1726 A CB 0.088 19.052 19.000 -0.059 0.000 1.364 1726 A HN 0.729 nan 8.150 nan 0.000 0.526 1727 H N -0.050 118.988 119.070 -0.054 0.000 2.352 1727 H HA 0.008 4.554 4.556 -0.016 0.000 0.299 1727 H C 0.246 175.554 175.328 -0.034 0.000 1.097 1727 H CA 1.986 58.010 56.048 -0.040 0.000 1.311 1727 H CB 0.128 29.870 29.762 -0.033 0.000 1.377 1727 H HN 0.380 nan 8.280 nan 0.000 0.504 1728 K N 1.642 122.009 120.400 -0.056 0.000 2.293 1728 K HA 0.102 4.412 4.320 -0.016 0.000 0.267 1728 K C -1.360 175.205 176.600 -0.058 0.000 1.010 1728 K CA -0.706 55.527 56.287 -0.090 0.000 0.875 1728 K CB 1.235 33.729 32.500 -0.010 0.000 1.106 1728 K HN 0.103 nan 8.250 nan 0.000 0.450 1729 D N 2.336 122.697 120.400 -0.066 0.000 2.348 1729 D HA 0.096 4.727 4.640 -0.016 0.000 0.253 1729 D C -0.629 175.668 176.300 -0.005 0.000 1.161 1729 D CA 0.271 54.247 54.000 -0.040 0.000 0.876 1729 D CB 1.353 42.130 40.800 -0.037 0.000 1.160 1729 D HN 0.344 nan 8.370 nan 0.000 0.459 1730 T N 2.857 117.420 114.554 0.013 0.000 2.758 1730 T HA 0.244 4.584 4.350 -0.016 0.000 0.285 1730 T C 0.431 175.189 174.700 0.097 0.000 0.981 1730 T CA -0.837 61.296 62.100 0.055 0.000 0.965 1730 T CB 1.001 69.908 68.868 0.065 0.000 0.927 1730 T HN 0.023 nan 8.240 nan 0.000 0.448 1731 K N 2.765 123.228 120.400 0.105 0.000 2.379 1731 K HA 0.439 4.750 4.320 -0.016 0.000 0.284 1731 K C 0.144 176.839 176.600 0.158 0.000 1.044 1731 K CA -0.388 55.978 56.287 0.132 0.000 0.974 1731 K CB 0.420 32.993 32.500 0.122 0.000 0.962 1731 K HN 0.514 nan 8.250 nan 0.000 0.474 1732 V N -0.971 119.050 119.914 0.178 0.000 3.159 1732 V HA 0.627 4.737 4.120 -0.016 0.000 0.308 1732 V C -0.656 175.517 176.094 0.133 0.000 1.190 1732 V CA -1.093 61.308 62.300 0.169 0.000 1.037 1732 V CB 2.012 33.969 31.823 0.222 0.000 1.060 1732 V HN 0.738 nan 8.190 nan 0.000 0.437 1733 S N 1.264 117.006 115.700 0.070 0.000 2.472 1733 S HA 0.807 5.267 4.470 -0.016 0.000 0.303 1733 S C -0.687 173.882 174.600 -0.052 0.000 1.099 1733 S CA -0.653 57.535 58.200 -0.020 0.000 1.077 1733 S CB 1.267 64.409 63.200 -0.097 0.000 1.031 1733 S HN 0.810 nan 8.310 nan 0.000 0.487 1734 I N 2.720 123.237 120.570 -0.089 0.000 2.330 1734 I HA 0.301 4.461 4.170 -0.016 0.000 0.286 1734 I C -0.200 175.918 176.117 0.001 0.000 1.025 1734 I CA -0.498 60.737 61.300 -0.108 0.000 1.197 1734 I CB 1.157 39.002 38.000 -0.258 0.000 1.358 1734 I HN 0.567 nan 8.210 nan 0.000 0.467 1735 K N 5.975 126.372 120.400 -0.006 0.000 2.264 1735 K HA 0.458 4.768 4.320 -0.016 0.000 0.277 1735 K C -0.792 175.840 176.600 0.054 0.000 1.067 1735 K CA -0.573 55.726 56.287 0.019 0.000 0.900 1735 K CB 1.887 34.383 32.500 -0.007 0.000 1.124 1735 K HN 0.285 nan 8.250 nan 0.000 0.469 1736 V N 2.988 122.960 119.914 0.097 0.000 2.348 1736 V HA 0.324 4.435 4.120 -0.016 0.000 0.270 1736 V C 0.599 176.738 176.094 0.074 0.000 1.037 1736 V CA -0.623 61.729 62.300 0.088 0.000 0.872 1736 V CB 1.127 33.024 31.823 0.122 0.000 1.002 1736 V HN 0.913 nan 8.190 nan 0.000 0.464 1737 G N 2.513 111.349 108.800 0.060 0.000 2.441 1737 G HA2 0.450 4.401 3.960 -0.016 0.000 0.334 1737 G HA3 0.450 4.401 3.960 -0.016 0.000 0.334 1737 G C 0.981 175.908 174.900 0.045 0.000 1.161 1737 G CA 0.185 45.316 45.100 0.051 0.000 0.935 1737 G HN 0.776 nan 8.290 nan 0.000 0.488 1738 S N -0.606 115.116 115.700 0.038 0.000 2.423 1738 S HA -0.232 4.228 4.470 -0.016 0.000 0.238 1738 S C 1.865 176.467 174.600 0.003 0.000 1.028 1738 S CA 2.377 60.587 58.200 0.017 0.000 1.000 1738 S CB -0.526 62.686 63.200 0.020 0.000 0.797 1738 S HN 0.958 nan 8.310 nan 0.000 0.487 1739 T N -2.434 112.125 114.554 0.010 0.000 2.985 1739 T HA 0.740 5.081 4.350 -0.016 0.000 0.254 1739 T C 0.269 174.976 174.700 0.011 0.000 1.021 1739 T CA 0.147 62.245 62.100 -0.004 0.000 0.957 1739 T CB 0.439 69.275 68.868 -0.052 0.000 1.047 1739 T HN 0.802 nan 8.240 nan 0.000 0.511 1740 A N 0.263 123.116 122.820 0.056 0.000 2.601 1740 A HA 0.698 5.008 4.320 -0.016 0.000 0.291 1740 A C -1.599 176.043 177.584 0.097 0.000 1.075 1740 A CA -0.702 51.404 52.037 0.116 0.000 0.671 1740 A CB 1.438 20.573 19.000 0.226 0.000 1.277 1740 A HN 0.181 nan 8.150 nan 0.000 0.417 1741 V N 1.417 121.408 119.914 0.127 0.000 2.435 1741 V HA 0.500 4.610 4.120 -0.016 0.000 0.290 1741 V C -0.296 175.878 176.094 0.135 0.000 1.030 1741 V CA -0.218 62.156 62.300 0.122 0.000 0.881 1741 V CB 1.463 33.373 31.823 0.145 0.000 0.983 1741 V HN 0.888 nan 8.190 nan 0.000 0.445 1742 Q N 3.119 122.964 119.800 0.074 0.000 2.337 1742 Q HA 0.636 4.966 4.340 -0.016 0.000 0.266 1742 Q C -1.328 174.699 176.000 0.046 0.000 1.023 1742 Q CA -0.695 55.124 55.803 0.027 0.000 0.829 1742 Q CB 2.910 31.655 28.738 0.011 0.000 1.306 1742 Q HN 0.530 nan 8.270 nan 0.000 0.449 1743 V N 2.620 122.579 119.914 0.075 0.000 2.266 1743 V HA 0.229 4.339 4.120 -0.016 0.000 0.271 1743 V C -0.430 175.725 176.094 0.101 0.000 1.032 1743 V CA -0.476 61.896 62.300 0.120 0.000 0.806 1743 V CB 1.240 33.259 31.823 0.327 0.000 1.052 1743 V HN 0.777 nan 8.190 nan 0.000 0.449 1744 T N 3.634 118.224 114.554 0.061 0.000 2.749 1744 T HA 0.254 4.595 4.350 -0.016 0.000 0.295 1744 T C 0.601 175.360 174.700 0.099 0.000 0.936 1744 T CA -0.249 61.887 62.100 0.060 0.000 1.060 1744 T CB 0.798 69.673 68.868 0.012 0.000 0.904 1744 T HN 0.779 nan 8.240 nan 0.000 0.500 1745 S N 2.148 117.938 115.700 0.151 0.000 2.562 1745 S HA 0.385 4.845 4.470 -0.016 0.000 0.281 1745 S C 1.278 176.018 174.600 0.233 0.000 1.333 1745 S CA -0.582 57.737 58.200 0.198 0.000 1.052 1745 S CB 1.030 64.357 63.200 0.211 0.000 0.884 1745 S HN 0.791 nan 8.310 nan 0.000 0.506 1746 A N 1.880 124.827 122.820 0.212 0.000 2.147 1746 A HA 0.231 4.541 4.320 -0.016 0.000 0.211 1746 A C 0.598 178.423 177.584 0.402 0.000 1.160 1746 A CA -0.032 52.123 52.037 0.196 0.000 0.781 1746 A CB -0.194 18.893 19.000 0.146 0.000 0.842 1746 A HN 0.878 nan 8.150 nan 0.000 0.475 1747 E N 0.358 120.754 120.200 0.327 0.000 2.204 1747 E HA 0.445 4.785 4.350 -0.016 0.000 0.276 1747 E C -0.611 176.055 176.600 0.109 0.000 0.974 1747 E CA -0.775 55.761 56.400 0.226 0.000 0.815 1747 E CB 1.302 31.069 29.700 0.112 0.000 1.119 1747 E HN 0.289 nan 8.360 nan 0.000 0.393 1748 R N 0.901 121.314 120.500 -0.146 0.000 2.615 1748 R HA 0.347 4.677 4.340 -0.016 0.000 0.270 1748 R C 0.123 176.310 176.300 -0.189 0.000 1.081 1748 R CA -0.035 55.836 56.100 -0.383 0.000 1.154 1748 R CB 0.821 30.785 30.300 -0.561 0.000 1.063 1748 R HN 0.654 nan 8.270 nan 0.000 0.519 1749 T N -1.638 112.797 114.554 -0.198 0.000 2.864 1749 T HA 0.370 4.711 4.350 -0.016 0.000 0.299 1749 T C -0.781 173.806 174.700 -0.189 0.000 1.166 1749 T CA -1.282 60.734 62.100 -0.139 0.000 1.007 1749 T CB 1.763 70.582 68.868 -0.082 0.000 1.219 1749 T HN 0.128 nan 8.240 nan 0.000 0.506 1750 K N 1.258 121.566 120.400 -0.154 0.000 2.276 1750 K HA 0.620 4.930 4.320 -0.016 0.000 0.283 1750 K C -0.914 175.576 176.600 -0.183 0.000 1.044 1750 K CA -0.515 55.665 56.287 -0.179 0.000 0.944 1750 K CB 1.421 33.846 32.500 -0.125 0.000 1.012 1750 K HN 0.550 nan 8.250 nan 0.000 0.472 1751 V N 4.696 124.448 119.914 -0.270 0.000 2.569 1751 V HA 0.194 4.304 4.120 -0.016 0.000 0.301 1751 V C 0.502 176.495 176.094 -0.168 0.000 1.044 1751 V CA -0.929 61.242 62.300 -0.215 0.000 0.874 1751 V CB 1.229 32.867 31.823 -0.309 0.000 1.002 1751 V HN 0.789 nan 8.190 nan 0.000 0.424 1752 L N 4.859 126.069 121.223 -0.021 0.000 3.742 1752 L HA -0.281 4.049 4.340 -0.016 0.000 0.431 1752 L C 1.504 178.368 176.870 -0.010 0.000 1.220 1752 L CA 0.883 55.746 54.840 0.038 0.000 0.863 1752 L CB -1.301 40.869 42.059 0.186 0.000 1.751 1752 L HN 1.241 nan 8.230 nan 0.000 0.922 1753 G N -1.156 107.605 108.800 -0.066 0.000 2.189 1753 G HA2 -0.304 3.647 3.960 -0.016 0.000 0.267 1753 G HA3 -0.304 3.647 3.960 -0.016 0.000 0.267 1753 G C 0.220 175.058 174.900 -0.102 0.000 0.975 1753 G CA 0.749 45.806 45.100 -0.072 0.000 0.644 1753 G HN 0.571 nan 8.290 nan 0.000 0.537 1754 Q N 0.216 119.908 119.800 -0.181 0.000 2.316 1754 Q HA 0.563 4.893 4.340 -0.016 0.000 0.264 1754 Q C -0.511 175.279 176.000 -0.351 0.000 0.987 1754 Q CA -0.459 55.203 55.803 -0.234 0.000 0.852 1754 Q CB 1.904 30.511 28.738 -0.219 0.000 1.287 1754 Q HN 0.121 nan 8.270 nan 0.000 0.448 1755 S N 2.177 117.718 115.700 -0.265 0.000 2.429 1755 S HA 0.259 4.719 4.470 -0.016 0.000 0.292 1755 S C -0.078 174.283 174.600 -0.398 0.000 1.183 1755 S CA -0.484 57.538 58.200 -0.296 0.000 1.088 1755 S CB -0.250 62.814 63.200 -0.226 0.000 1.018 1755 S HN 0.430 nan 8.310 nan 0.000 0.511 1756 V N 2.039 121.674 119.914 -0.464 0.000 3.126 1756 V HA 0.747 4.858 4.120 -0.016 0.000 0.314 1756 V C -0.843 175.014 176.094 -0.394 0.000 1.138 1756 V CA -1.296 60.730 62.300 -0.457 0.000 1.034 1756 V CB 1.257 32.759 31.823 -0.535 0.000 1.075 1756 V HN 0.534 nan 8.190 nan 0.000 0.442 1757 F N 1.413 121.351 119.950 -0.019 0.000 2.385 1757 F HA 0.668 5.186 4.527 -0.015 0.000 0.336 1757 F C 0.268 176.075 175.800 0.012 0.000 1.100 1757 F CA -0.512 57.494 58.000 0.010 0.000 1.116 1757 F CB 1.390 40.414 39.000 0.040 0.000 1.166 1757 F HN 0.308 nan 8.300 nan 0.000 0.511 1758 L N 2.489 123.836 121.223 0.207 0.000 2.322 1758 L HA 0.412 4.742 4.340 -0.016 0.000 0.279 1758 L C -0.644 176.288 176.870 0.102 0.000 1.036 1758 L CA -0.822 54.089 54.840 0.119 0.000 0.807 1758 L CB 1.782 43.891 42.059 0.084 0.000 1.226 1758 L HN 0.567 nan 8.230 nan 0.000 0.433 1759 N N 1.062 119.785 118.700 0.039 0.000 2.576 1759 N HA 0.203 4.933 4.740 -0.016 0.000 0.269 1759 N C -1.477 173.997 175.510 -0.061 0.000 1.058 1759 N CA -0.473 52.573 53.050 -0.007 0.000 0.860 1759 N CB 1.062 39.518 38.487 -0.053 0.000 1.249 1759 N HN 0.378 nan 8.380 nan 0.000 0.525 1760 D N 3.272 123.622 120.400 -0.083 0.000 2.280 1760 D HA 0.301 4.931 4.640 -0.016 0.000 0.243 1760 D C 0.102 176.094 176.300 -0.514 0.000 1.129 1760 D CA 0.032 53.865 54.000 -0.278 0.000 0.848 1760 D CB 1.317 42.000 40.800 -0.195 0.000 1.107 1760 D HN 0.492 nan 8.370 nan 0.000 0.471 1761 I N 2.685 122.941 120.570 -0.523 0.000 2.359 1761 I HA 0.222 4.382 4.170 -0.016 0.000 0.294 1761 I C -0.648 175.136 176.117 -0.554 0.000 0.987 1761 I CA -0.794 60.274 61.300 -0.387 0.000 1.225 1761 I CB 0.834 38.758 38.000 -0.125 0.000 1.366 1761 I HN 0.195 nan 8.210 nan 0.000 0.466 1762 Y N 5.518 125.828 120.300 0.016 0.000 2.426 1762 Y HA 0.384 4.925 4.550 -0.016 0.000 0.325 1762 Y C -0.312 175.598 175.900 0.017 0.000 0.989 1762 Y CA -0.813 57.284 58.100 -0.005 0.000 1.284 1762 Y CB 0.600 39.075 38.460 0.025 0.000 1.104 1762 Y HN 0.384 nan 8.280 nan 0.000 0.481 1763 Y N 0.830 121.123 120.300 -0.011 0.000 2.702 1763 Y HA 0.009 4.551 4.550 -0.014 0.000 0.336 1763 Y C 1.607 177.374 175.900 -0.222 0.000 1.235 1763 Y CA -0.251 57.743 58.100 -0.176 0.000 1.492 1763 Y CB 0.930 39.207 38.460 -0.305 0.000 1.308 1763 Y HN 0.827 nan 8.280 nan 0.000 0.589 1764 A N 1.612 124.360 122.820 -0.119 0.000 1.948 1764 A HA -0.268 4.043 4.320 -0.016 0.000 0.220 1764 A C 2.252 179.388 177.584 -0.747 0.000 1.177 1764 A CA 2.074 53.940 52.037 -0.285 0.000 0.636 1764 A CB -1.082 17.814 19.000 -0.173 0.000 0.815 1764 A HN 0.839 nan 8.150 nan 0.000 0.449 1765 S N -0.355 114.621 115.700 -1.207 0.000 2.469 1765 S HA -0.142 4.319 4.470 -0.016 0.000 0.238 1765 S C 1.212 175.373 174.600 -0.732 0.000 0.998 1765 S CA 1.451 58.614 58.200 -1.729 0.000 0.957 1765 S CB -0.349 62.285 63.200 -0.942 0.000 0.764 1765 S HN 0.713 nan 8.310 nan 0.000 0.514 1766 E N 0.154 120.147 120.200 -0.344 0.000 2.481 1766 E HA 0.321 4.662 4.350 -0.016 0.000 0.198 1766 E C -0.287 176.252 176.600 -0.101 0.000 1.027 1766 E CA -0.146 56.175 56.400 -0.132 0.000 0.900 1766 E CB 0.317 30.031 29.700 0.023 0.000 0.993 1766 E HN 0.586 nan 8.360 nan 0.000 0.482 1767 I N 2.333 122.819 120.570 -0.140 0.000 2.260 1767 I HA 0.036 4.196 4.170 -0.016 0.000 0.297 1767 I C 1.103 177.187 176.117 -0.055 0.000 1.143 1767 I CA 0.130 61.385 61.300 -0.074 0.000 1.271 1767 I CB 0.445 38.415 38.000 -0.049 0.000 1.461 1767 I HN 0.061 nan 8.210 nan 0.000 0.530 1768 E N 4.093 124.272 120.200 -0.035 0.000 2.072 1768 E HA -0.031 4.310 4.350 -0.016 0.000 0.190 1768 E C 0.033 176.641 176.600 0.013 0.000 0.982 1768 E CA 0.975 57.371 56.400 -0.005 0.000 0.803 1768 E CB 0.339 30.036 29.700 -0.004 0.000 0.755 1768 E HN 0.629 nan 8.360 nan 0.000 0.453 1769 E N -0.006 120.200 120.200 0.011 0.000 2.321 1769 E HA 0.364 4.704 4.350 -0.016 0.000 0.278 1769 E C -1.461 175.163 176.600 0.039 0.000 0.902 1769 E CA -0.484 55.931 56.400 0.025 0.000 0.758 1769 E CB 2.208 31.921 29.700 0.023 0.000 1.213 1769 E HN -0.096 nan 8.360 nan 0.000 0.426 1770 I N 1.489 122.088 120.570 0.048 0.000 2.433 1770 I HA 0.403 4.563 4.170 -0.016 0.000 0.292 1770 I C -0.838 175.328 176.117 0.080 0.000 1.001 1770 I CA -0.728 60.619 61.300 0.077 0.000 1.119 1770 I CB 1.694 39.708 38.000 0.022 0.000 1.289 1770 I HN 0.468 nan 8.210 nan 0.000 0.438 1771 C N 6.929 126.310 119.300 0.135 0.000 2.481 1771 C HA 0.650 5.100 4.460 -0.016 0.000 0.324 1771 C C -0.991 174.093 174.990 0.157 0.000 1.170 1771 C CA -0.700 58.382 59.018 0.107 0.000 1.361 1771 C CB 0.909 28.695 27.740 0.076 0.000 1.977 1771 C HN 0.761 nan 8.230 nan 0.000 0.459 1772 L N 6.979 128.267 121.223 0.108 0.000 2.283 1772 L HA 0.394 4.724 4.340 -0.016 0.000 0.287 1772 L C 0.767 177.696 176.870 0.098 0.000 1.073 1772 L CA 0.478 55.393 54.840 0.124 0.000 0.822 1772 L CB 1.192 43.289 42.059 0.064 0.000 1.186 1772 L HN 0.719 nan 8.230 nan 0.000 0.436 1773 V N 3.568 123.549 119.914 0.111 0.000 2.255 1773 V HA 0.001 4.111 4.120 -0.016 0.000 0.243 1773 V C 0.797 176.925 176.094 0.056 0.000 1.038 1773 V CA 1.304 63.643 62.300 0.066 0.000 1.008 1773 V CB -0.376 31.476 31.823 0.048 0.000 0.645 1773 V HN 0.747 nan 8.190 nan 0.000 0.449 1774 D N -1.352 119.089 120.400 0.069 0.000 2.553 1774 D HA 0.284 4.914 4.640 -0.016 0.000 0.249 1774 D C 0.618 176.959 176.300 0.068 0.000 1.062 1774 D CA -0.517 53.516 54.000 0.056 0.000 1.085 1774 D CB 1.382 42.211 40.800 0.049 0.000 1.350 1774 D HN 0.170 nan 8.370 nan 0.000 0.575 1775 E N -0.410 119.822 120.200 0.054 0.000 2.516 1775 E HA -0.096 4.244 4.350 -0.016 0.000 0.199 1775 E C 0.284 176.926 176.600 0.070 0.000 1.069 1775 E CA 0.519 56.951 56.400 0.053 0.000 0.876 1775 E CB -0.113 29.609 29.700 0.038 0.000 0.843 1775 E HN 0.297 nan 8.360 nan 0.000 0.530 1776 N N -0.199 118.551 118.700 0.084 0.000 2.307 1776 N HA 0.005 4.735 4.740 -0.016 0.000 0.248 1776 N C -0.657 174.942 175.510 0.149 0.000 1.322 1776 N CA -0.280 52.835 53.050 0.108 0.000 0.861 1776 N CB 0.640 39.165 38.487 0.064 0.000 1.303 1776 N HN -0.103 nan 8.380 nan 0.000 0.498 1777 Q N 0.570 120.469 119.800 0.165 0.000 2.295 1777 Q HA 0.441 4.771 4.340 -0.016 0.000 0.268 1777 Q C -1.878 174.259 176.000 0.228 0.000 1.010 1777 Q CA -0.914 54.982 55.803 0.156 0.000 0.856 1777 Q CB 1.712 30.489 28.738 0.065 0.000 1.349 1777 Q HN 0.253 nan 8.270 nan 0.000 0.412 1778 F N -0.877 119.121 119.950 0.080 0.000 2.629 1778 F HA 0.792 5.309 4.527 -0.016 0.000 0.316 1778 F C -1.104 174.747 175.800 0.086 0.000 1.081 1778 F CA -0.769 57.269 58.000 0.064 0.000 0.954 1778 F CB 2.051 41.075 39.000 0.040 0.000 1.337 1778 F HN 0.240 nan 8.300 nan 0.000 0.474 1779 T N 3.048 117.692 114.554 0.149 0.000 2.855 1779 T HA 0.580 4.920 4.350 -0.016 0.000 0.281 1779 T C -1.209 173.596 174.700 0.176 0.000 1.007 1779 T CA -0.627 61.486 62.100 0.020 0.000 1.009 1779 T CB 1.278 70.153 68.868 0.012 0.000 0.983 1779 T HN 0.625 nan 8.240 nan 0.000 0.455 1780 L N 3.261 124.528 121.223 0.074 0.000 2.415 1780 L HA 0.363 4.693 4.340 -0.016 0.000 0.268 1780 L C -0.276 176.580 176.870 -0.024 0.000 0.984 1780 L CA -0.547 54.357 54.840 0.106 0.000 0.853 1780 L CB 1.705 43.871 42.059 0.178 0.000 1.215 1780 L HN 0.656 nan 8.230 nan 0.000 0.419 1781 T N 4.826 119.371 114.554 -0.014 0.000 2.729 1781 T HA 0.408 4.749 4.350 -0.016 0.000 0.296 1781 T C 0.187 174.852 174.700 -0.060 0.000 0.928 1781 T CA -0.241 61.834 62.100 -0.041 0.000 1.045 1781 T CB 0.627 69.485 68.868 -0.017 0.000 0.902 1781 T HN 0.181 nan 8.240 nan 0.000 0.500 1782 I N 3.030 123.546 120.570 -0.091 0.000 2.336 1782 I HA 0.374 4.535 4.170 -0.016 0.000 0.292 1782 I C 0.973 177.069 176.117 -0.036 0.000 0.991 1782 I CA -1.344 59.907 61.300 -0.082 0.000 1.227 1782 I CB 0.564 38.485 38.000 -0.132 0.000 1.366 1782 I HN 0.651 nan 8.210 nan 0.000 0.466 1783 A N 5.439 128.244 122.820 -0.025 0.000 2.584 1783 A HA -0.025 4.285 4.320 -0.016 0.000 0.239 1783 A C 0.986 178.564 177.584 -0.011 0.000 1.043 1783 A CA 0.574 52.601 52.037 -0.015 0.000 0.756 1783 A CB -0.871 18.118 19.000 -0.017 0.000 0.963 1783 A HN 0.963 nan 8.150 nan 0.000 0.511 1784 N N 0.780 119.474 118.700 -0.011 0.000 2.714 1784 N HA -0.204 4.526 4.740 -0.016 0.000 0.250 1784 N C 0.190 175.691 175.510 -0.014 0.000 1.117 1784 N CA 1.108 54.150 53.050 -0.013 0.000 0.719 1784 N CB -0.719 37.757 38.487 -0.019 0.000 1.081 1784 N HN 0.859 nan 8.380 nan 0.000 0.557 1785 Q N -0.947 118.847 119.800 -0.010 0.000 2.118 1785 Q HA 0.201 4.532 4.340 -0.016 0.000 0.219 1785 Q C 1.553 177.548 176.000 -0.008 0.000 0.794 1785 Q CA 0.230 56.032 55.803 -0.000 0.000 1.035 1785 Q CB 1.181 29.926 28.738 0.012 0.000 1.177 1785 Q HN 0.448 nan 8.270 nan 0.000 0.478 1786 G N 2.182 110.975 108.800 -0.012 0.000 2.952 1786 G HA2 -0.451 3.499 3.960 -0.016 0.000 0.346 1786 G HA3 -0.451 3.499 3.960 -0.016 0.000 0.346 1786 G C 0.530 175.415 174.900 -0.026 0.000 1.191 1786 G CA 1.116 46.208 45.100 -0.015 0.000 0.961 1786 G HN 0.493 nan 8.290 nan 0.000 0.588 1787 T N 2.994 117.531 114.554 -0.028 0.000 2.831 1787 T HA 0.465 4.805 4.350 -0.016 0.000 0.291 1787 T C -1.418 173.243 174.700 -0.064 0.000 0.981 1787 T CA -0.079 61.995 62.100 -0.043 0.000 1.174 1787 T CB 1.168 70.010 68.868 -0.044 0.000 0.929 1787 T HN 0.714 nan 8.240 nan 0.000 0.532 1788 P HA 0.204 nan 4.420 nan 0.000 0.270 1788 P C -0.077 177.134 177.300 -0.150 0.000 1.223 1788 P CA -0.575 62.469 63.100 -0.094 0.000 0.785 1788 P CB 0.777 32.437 31.700 -0.067 0.000 0.923 1789 L N 1.086 122.190 121.223 -0.199 0.000 2.421 1789 L HA 0.434 4.765 4.340 -0.016 0.000 0.263 1789 L C 0.816 177.403 176.870 -0.471 0.000 1.122 1789 L CA -0.140 54.487 54.840 -0.354 0.000 0.804 1789 L CB 0.530 42.387 42.059 -0.337 0.000 1.150 1789 L HN 0.371 nan 8.230 nan 0.000 0.457 1790 T N 0.919 115.018 114.554 -0.758 0.000 2.886 1790 T HA 0.662 5.002 4.350 -0.016 0.000 0.292 1790 T C -0.936 173.163 174.700 -1.001 0.000 1.012 1790 T CA -0.417 61.286 62.100 -0.662 0.000 0.982 1790 T CB 1.227 69.875 68.868 -0.366 0.000 1.018 1790 T HN 0.149 nan 8.240 nan 0.000 0.451 1791 F N 1.310 120.910 119.950 -0.583 0.000 2.588 1791 F HA 0.705 5.223 4.527 -0.015 0.000 0.314 1791 F C -0.058 175.602 175.800 -0.232 0.000 1.069 1791 F CA -1.148 56.589 58.000 -0.439 0.000 0.931 1791 F CB 2.182 40.806 39.000 -0.625 0.000 1.260 1791 F HN 0.224 nan 8.300 nan 0.000 0.465 1792 M N 1.952 121.641 119.600 0.149 0.000 2.393 1792 M HA 0.477 4.947 4.480 -0.016 0.000 0.316 1792 M C -1.795 174.670 176.300 0.274 0.000 1.087 1792 M CA -0.402 54.993 55.300 0.158 0.000 0.937 1792 M CB 1.996 34.646 32.600 0.083 0.000 1.668 1792 M HN 0.858 nan 8.290 nan 0.000 0.438 1793 H N 0.481 119.641 119.070 0.151 0.000 3.094 1793 H HA 0.125 4.672 4.556 -0.016 0.000 0.335 1793 H C -0.453 174.950 175.328 0.124 0.000 1.254 1793 H CA -0.343 55.794 56.048 0.147 0.000 1.240 1793 H CB 1.619 31.482 29.762 0.167 0.000 1.936 1793 H HN 0.737 nan 8.280 nan 0.000 0.536 1794 Q N 1.516 121.058 119.800 -0.430 0.000 2.167 1794 Q HA -0.072 4.258 4.340 -0.016 0.000 0.202 1794 Q C -0.120 175.881 176.000 0.002 0.000 0.970 1794 Q CA 1.619 57.312 55.803 -0.183 0.000 0.855 1794 Q CB 0.292 28.900 28.738 -0.217 0.000 0.911 1794 Q HN 0.715 nan 8.270 nan 0.000 0.438 1795 E N -0.577 119.740 120.200 0.194 0.000 2.405 1795 E HA 0.057 4.397 4.350 -0.016 0.000 0.214 1795 E C 1.041 177.782 176.600 0.235 0.000 1.101 1795 E CA -0.559 56.045 56.400 0.340 0.000 1.254 1795 E CB 0.127 30.163 29.700 0.561 0.000 1.240 1795 E HN 0.310 nan 8.360 nan 0.000 0.439 1796 C N 0.971 120.380 119.300 0.182 0.000 2.398 1796 C HA -0.179 4.271 4.460 -0.016 0.000 0.276 1796 C C 2.393 177.324 174.990 -0.100 0.000 1.222 1796 C CA 1.176 60.231 59.018 0.061 0.000 1.746 1796 C CB -0.407 27.455 27.740 0.203 0.000 2.039 1796 C HN 0.599 nan 8.230 nan 0.000 0.470 1797 E N 0.350 120.538 120.200 -0.021 0.000 2.130 1797 E HA -0.219 4.121 4.350 -0.016 0.000 0.196 1797 E C 2.220 178.766 176.600 -0.090 0.000 0.998 1797 E CA 1.594 57.967 56.400 -0.044 0.000 0.806 1797 E CB -0.213 29.489 29.700 0.003 0.000 0.738 1797 E HN 0.711 nan 8.360 nan 0.000 0.459 1798 A N 0.335 123.121 122.820 -0.056 0.000 1.968 1798 A HA -0.088 4.222 4.320 -0.016 0.000 0.217 1798 A C 2.079 179.528 177.584 -0.226 0.000 1.169 1798 A CA 0.751 52.777 52.037 -0.018 0.000 0.638 1798 A CB -0.313 18.805 19.000 0.197 0.000 0.812 1798 A HN 0.142 nan 8.150 nan 0.000 0.446 1799 I N -0.637 119.558 120.570 -0.625 0.000 2.233 1799 I HA -0.171 3.989 4.170 -0.016 0.000 0.243 1799 I C 2.323 178.003 176.117 -0.730 0.000 1.093 1799 I CA 0.918 61.590 61.300 -1.047 0.000 1.380 1799 I CB -0.404 36.811 38.000 -1.309 0.000 1.067 1799 I HN 0.121 nan 8.210 nan 0.000 0.413 1800 V N 0.730 120.215 119.914 -0.716 0.000 2.287 1800 V HA -0.320 3.791 4.120 -0.016 0.000 0.248 1800 V C 2.542 178.486 176.094 -0.250 0.000 1.053 1800 V CA 1.978 63.970 62.300 -0.514 0.000 1.027 1800 V CB -0.783 30.837 31.823 -0.338 0.000 0.646 1800 V HN 0.524 nan 8.190 nan 0.000 0.447 1801 Q N -0.378 119.319 119.800 -0.171 0.000 2.170 1801 Q HA -0.191 4.139 4.340 -0.016 0.000 0.203 1801 Q C 2.425 178.415 176.000 -0.017 0.000 0.976 1801 Q CA 2.134 57.898 55.803 -0.066 0.000 0.858 1801 Q CB -0.280 28.435 28.738 -0.038 0.000 0.907 1801 Q HN 0.592 nan 8.270 nan 0.000 0.433 1802 S N -0.351 115.322 115.700 -0.045 0.000 2.414 1802 S HA 0.063 4.524 4.470 -0.016 0.000 0.227 1802 S C 1.955 176.581 174.600 0.044 0.000 1.022 1802 S CA 0.339 58.570 58.200 0.052 0.000 0.958 1802 S CB 0.010 63.264 63.200 0.089 0.000 0.797 1802 S HN 0.398 nan 8.310 nan 0.000 0.493 1803 I N 0.990 121.516 120.570 -0.074 0.000 2.286 1803 I HA -0.106 4.055 4.170 -0.016 0.000 0.245 1803 I C 1.970 178.077 176.117 -0.017 0.000 1.104 1803 I CA 0.929 62.190 61.300 -0.065 0.000 1.397 1803 I CB -0.323 37.589 38.000 -0.147 0.000 1.072 1803 I HN 0.291 nan 8.210 nan 0.000 0.417 1804 I N 0.498 121.060 120.570 -0.014 0.000 2.163 1804 I HA -0.362 3.798 4.170 -0.016 0.000 0.243 1804 I C 2.737 178.898 176.117 0.073 0.000 1.085 1804 I CA 1.668 62.984 61.300 0.025 0.000 1.347 1804 I CB -0.659 37.353 38.000 0.021 0.000 1.044 1804 I HN 0.329 nan 8.210 nan 0.000 0.408 1805 H N 1.360 120.433 119.070 0.005 0.000 2.289 1805 H HA -0.225 4.321 4.556 -0.018 0.000 0.296 1805 H C 1.990 177.347 175.328 0.048 0.000 1.091 1805 H CA 2.109 58.171 56.048 0.024 0.000 1.274 1805 H CB -0.290 29.482 29.762 0.017 0.000 1.364 1805 H HN 0.128 nan 8.280 nan 0.000 0.490 1806 I N 0.288 120.746 120.570 -0.187 0.000 2.264 1806 I HA -0.180 3.980 4.170 -0.016 0.000 0.248 1806 I C 2.618 178.715 176.117 -0.033 0.000 1.111 1806 I CA 1.368 62.554 61.300 -0.190 0.000 1.382 1806 I CB -0.509 37.458 38.000 -0.054 0.000 1.060 1806 I HN 0.226 nan 8.210 nan 0.000 0.418 1807 R N 0.007 120.518 120.500 0.019 0.000 2.073 1807 R HA -0.086 4.244 4.340 -0.016 0.000 0.229 1807 R C 2.138 178.549 176.300 0.185 0.000 1.120 1807 R CA 2.170 58.334 56.100 0.107 0.000 0.967 1807 R CB -1.066 29.274 30.300 0.066 0.000 0.862 1807 R HN 0.279 nan 8.270 nan 0.000 0.436 1808 T N 0.364 114.971 114.554 0.089 0.000 2.737 1808 T HA -0.026 4.315 4.350 -0.016 0.000 0.265 1808 T C 1.795 176.517 174.700 0.038 0.000 1.038 1808 T CA 1.259 63.405 62.100 0.077 0.000 1.144 1808 T CB -0.209 68.702 68.868 0.072 0.000 0.866 1808 T HN 0.243 nan 8.240 nan 0.000 0.434 1809 R N -0.658 119.817 120.500 -0.043 0.000 2.159 1809 R HA -0.115 4.216 4.340 -0.016 0.000 0.237 1809 R C 2.183 178.476 176.300 -0.011 0.000 1.131 1809 R CA 1.238 57.297 56.100 -0.068 0.000 0.982 1809 R CB -0.211 29.963 30.300 -0.210 0.000 0.868 1809 R HN 0.518 nan 8.270 nan 0.000 0.453 1810 W N 1.602 122.845 121.300 -0.094 0.000 2.441 1810 W HA -0.085 4.564 4.660 -0.018 0.000 0.302 1810 W C 1.499 177.992 176.519 -0.042 0.000 1.191 1810 W CA 1.161 58.467 57.345 -0.065 0.000 1.327 1810 W CB -0.006 29.422 29.460 -0.053 0.000 1.128 1810 W HN -0.009 nan 8.180 nan 0.000 0.522 1811 E N 0.175 120.337 120.200 -0.062 0.000 2.153 1811 E HA -0.244 4.097 4.350 -0.016 0.000 0.194 1811 E C 2.005 178.433 176.600 -0.287 0.000 0.988 1811 E CA 1.289 57.545 56.400 -0.240 0.000 0.811 1811 E CB -0.493 29.238 29.700 0.051 0.000 0.746 1811 E HN 0.206 nan 8.360 nan 0.000 0.466 1812 L N 0.824 121.935 121.223 -0.186 0.000 2.131 1812 L HA -0.131 4.200 4.340 -0.016 0.000 0.210 1812 L C 2.230 178.976 176.870 -0.206 0.000 1.092 1812 L CA 1.759 56.510 54.840 -0.149 0.000 0.759 1812 L CB -0.485 41.522 42.059 -0.088 0.000 0.903 1812 L HN 0.079 nan 8.230 nan 0.000 0.435 1813 S N -2.212 113.306 115.700 -0.302 0.000 2.614 1813 S HA 0.112 4.573 4.470 -0.016 0.000 0.230 1813 S C 0.705 175.048 174.600 -0.429 0.000 0.952 1813 S CA -0.508 57.509 58.200 -0.304 0.000 0.949 1813 S CB -0.306 62.737 63.200 -0.260 0.000 0.786 1813 S HN 0.415 nan 8.310 nan 0.000 0.478 1814 Q N 1.825 121.311 119.800 -0.524 0.000 2.394 1814 Q HA 0.359 4.689 4.340 -0.016 0.000 0.248 1814 Q C -2.416 173.414 176.000 -0.284 0.000 0.992 1814 Q CA -1.766 53.701 55.803 -0.560 0.000 0.888 1814 Q CB 0.339 28.719 28.738 -0.596 0.000 1.257 1814 Q HN 0.223 nan 8.270 nan 0.000 0.462 1815 P HA 0.053 nan 4.420 nan 0.000 0.272 1815 P C -1.148 176.097 177.300 -0.092 0.000 1.230 1815 P CA -0.262 62.770 63.100 -0.114 0.000 0.788 1815 P CB 0.569 32.228 31.700 -0.069 0.000 0.949 1816 D N 0.000 120.360 120.400 -0.067 0.000 6.856 1816 D HA 0.000 4.630 4.640 -0.016 0.000 0.175 1816 D CA 0.000 53.970 54.000 -0.051 0.000 0.868 1816 D CB 0.000 40.775 40.800 -0.042 0.000 0.688 1816 D HN 0.000 nan 8.370 nan 0.000 0.683