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 2qki_1_D DATA FIRST_RESID 1 DATA SEQUENCE SPMYSIITPN ILRLESEETM VLEAHDAQGD VPVTVTVHDF PGKKLVLSSE DATA SEQUENCE KTVLTPATNH MGNVTFTIPX XXXXXSEKGR NKFVTVQATF GTQVVEKVVL DATA SEQUENCE VSLQSGYLFI QTDKTIYTPG STVLYRIFTV NHKLLPVGRT VMVNIENPEG DATA SEQUENCE IPVKQDSLSS QNQLGVLPLS WDIPELVNMG QWKIRAYYEN SPQQVFSTEF DATA SEQUENCE EVKEYVLPSF EVIVEPTEKF YYIYNEKGLE VTITARFLYG KKVEGTAFVI DATA SEQUENCE FGIQDGEQRI SLPESLKRIP IEDGSGEVVL SRKVLLDGVQ NLRAEDLVGK DATA SEQUENCE SLYVSATVIL HSGSDMVQAE RSGIPIVTSP YQIHFTKTPK YFKPGMPFDL DATA SEQUENCE MVFVTNPDGS PAYRVPVAVQ GEDTVQSLTQ GDGVAKLSIN THPSQKPLSI DATA SEQUENCE TVRTKKQELS EAEQATRTMQ ALPYSTVGNS NNYLHLSVLR TELRPGETLN DATA SEQUENCE VNFLLRMDRA HEAKIRYYTY LIMNKGRLLK AGRQVREPGQ DLVVLPLSIT DATA SEQUENCE TDFIPSFRLV AYYTLIGASG QREVVADSVW VDVKDSCVGS LVVKSGXXXX DATA SEQUENCE XQPVPGQQMT LKIEGDHGAR VVLVAVDKGV FVLNKKNKLT QSKIWDVVEK DATA SEQUENCE ADIGcTPGSG KDYAGVFSDA GLTFTSSSGQ QTAQRAELQc PQP 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.524 174.600 -0.127 0.000 1.055 1 S CA 0.000 58.156 58.200 -0.074 0.000 1.107 1 S CB 0.000 63.167 63.200 -0.056 0.000 0.593 2 P HA 0.315 nan 4.420 nan 0.000 0.282 2 P C -0.631 176.344 177.300 -0.541 0.000 1.262 2 P CA -0.057 62.833 63.100 -0.350 0.000 0.773 2 P CB 0.615 32.083 31.700 -0.387 0.000 0.879 3 M N 4.824 124.162 119.600 -0.438 0.000 2.268 3 M HA 0.368 4.882 4.480 0.056 0.000 0.344 3 M C -1.493 174.496 176.300 -0.518 0.000 1.106 3 M CA -0.735 54.328 55.300 -0.396 0.000 1.010 3 M CB 0.826 33.366 32.600 -0.099 0.000 1.649 3 M HN 0.194 nan 8.290 nan 0.000 0.443 4 Y N 2.494 122.621 120.300 -0.287 0.000 2.360 4 Y HA 0.627 5.211 4.550 0.055 0.000 0.337 4 Y C 0.181 175.748 175.900 -0.555 0.000 1.039 4 Y CA -0.684 56.996 58.100 -0.700 0.000 1.109 4 Y CB 1.671 39.292 38.460 -1.397 0.000 1.201 4 Y HN 0.694 nan 8.280 nan 0.000 0.458 5 S N 3.632 119.158 115.700 -0.290 0.000 2.564 5 S HA 0.894 5.398 4.470 0.056 0.000 0.274 5 S C -1.123 173.470 174.600 -0.012 0.000 1.124 5 S CA -0.875 57.218 58.200 -0.178 0.000 0.869 5 S CB 1.510 64.660 63.200 -0.084 0.000 1.105 5 S HN 0.730 nan 8.310 nan 0.000 0.472 6 I N -0.611 119.891 120.570 -0.114 0.000 2.582 6 I HA 0.737 4.940 4.170 0.056 0.000 0.292 6 I C -1.543 174.548 176.117 -0.044 0.000 1.066 6 I CA -1.308 60.006 61.300 0.024 0.000 1.053 6 I CB 1.709 39.758 38.000 0.081 0.000 1.241 6 I HN 0.666 nan 8.210 nan 0.000 0.421 7 I N 4.983 125.601 120.570 0.080 0.000 2.478 7 I HA 0.520 4.724 4.170 0.056 0.000 0.287 7 I C -0.216 175.986 176.117 0.143 0.000 1.042 7 I CA -0.222 61.146 61.300 0.114 0.000 1.067 7 I CB 2.446 40.578 38.000 0.220 0.000 1.233 7 I HN 0.867 nan 8.210 nan 0.000 0.431 8 T N 3.061 117.694 114.554 0.132 0.000 2.865 8 T HA 0.632 5.016 4.350 0.056 0.000 0.294 8 T C -2.977 171.808 174.700 0.143 0.000 1.119 8 T CA -2.488 59.704 62.100 0.153 0.000 1.007 8 T CB 2.162 71.133 68.868 0.171 0.000 1.225 8 T HN 0.057 nan 8.240 nan 0.000 0.515 9 P HA 0.162 nan 4.420 nan 0.000 0.268 9 P C 0.250 177.608 177.300 0.097 0.000 1.208 9 P CA -0.170 62.994 63.100 0.107 0.000 0.777 9 P CB 0.303 32.044 31.700 0.069 0.000 0.875 10 N N 1.481 120.235 118.700 0.090 0.000 2.336 10 N HA 0.064 4.837 4.740 0.056 0.000 0.189 10 N C -0.213 175.326 175.510 0.048 0.000 1.113 10 N CA 0.554 53.649 53.050 0.076 0.000 0.858 10 N CB -0.250 38.287 38.487 0.084 0.000 0.970 10 N HN 0.314 nan 8.380 nan 0.000 0.471 11 I N 0.798 121.385 120.570 0.029 0.000 2.499 11 I HA 0.320 4.524 4.170 0.056 0.000 0.288 11 I C -0.697 175.413 176.117 -0.012 0.000 1.048 11 I CA -0.823 60.470 61.300 -0.011 0.000 1.062 11 I CB 2.062 40.039 38.000 -0.038 0.000 1.238 11 I HN -0.131 nan 8.210 nan 0.000 0.426 12 L N 5.635 126.852 121.223 -0.009 0.000 2.352 12 L HA 0.632 5.005 4.340 0.056 0.000 0.269 12 L C -0.141 176.703 176.870 -0.044 0.000 1.034 12 L CA -0.797 54.040 54.840 -0.005 0.000 0.806 12 L CB 1.613 43.720 42.059 0.080 0.000 1.244 12 L HN 0.537 nan 8.230 nan 0.000 0.447 13 R N 0.587 121.052 120.500 -0.059 0.000 2.854 13 R HA 0.692 5.065 4.340 0.056 0.000 0.271 13 R C -1.339 174.938 176.300 -0.037 0.000 0.996 13 R CA -0.808 55.259 56.100 -0.056 0.000 0.961 13 R CB 1.851 32.113 30.300 -0.064 0.000 1.182 13 R HN 0.397 nan 8.270 nan 0.000 0.479 14 L N 1.574 122.784 121.223 -0.022 0.000 2.312 14 L HA 0.335 4.708 4.340 0.056 0.000 0.281 14 L C 0.212 177.063 176.870 -0.031 0.000 1.070 14 L CA -0.180 54.649 54.840 -0.018 0.000 0.805 14 L CB 1.046 43.095 42.059 -0.015 0.000 1.174 14 L HN 0.760 nan 8.230 nan 0.000 0.434 15 E N 0.168 120.350 120.200 -0.030 0.000 2.791 15 E HA -0.196 4.188 4.350 0.056 0.000 0.271 15 E C -0.549 176.026 176.600 -0.043 0.000 1.044 15 E CA 0.859 57.238 56.400 -0.035 0.000 0.814 15 E CB -0.815 28.863 29.700 -0.038 0.000 1.400 15 E HN 0.729 nan 8.360 nan 0.000 0.423 16 S N -0.710 114.954 115.700 -0.060 0.000 2.536 16 S HA 0.544 5.048 4.470 0.056 0.000 0.287 16 S C -0.378 174.144 174.600 -0.131 0.000 1.101 16 S CA -1.139 57.020 58.200 -0.068 0.000 0.950 16 S CB 2.144 65.321 63.200 -0.039 0.000 1.056 16 S HN 0.129 nan 8.310 nan 0.000 0.481 17 E N 1.797 121.925 120.200 -0.119 0.000 2.238 17 E HA 0.144 4.527 4.350 0.056 0.000 0.264 17 E C -0.093 176.359 176.600 -0.248 0.000 1.136 17 E CA 0.318 56.615 56.400 -0.171 0.000 0.929 17 E CB 0.263 29.905 29.700 -0.097 0.000 1.010 17 E HN 0.474 nan 8.360 nan 0.000 0.440 18 E N 2.267 122.171 120.200 -0.493 0.000 2.250 18 E HA 0.385 4.769 4.350 0.056 0.000 0.265 18 E C -0.547 175.787 176.600 -0.444 0.000 1.033 18 E CA -0.433 55.633 56.400 -0.555 0.000 0.888 18 E CB 1.796 30.971 29.700 -0.874 0.000 1.151 18 E HN 0.355 nan 8.360 nan 0.000 0.412 19 T N 1.464 115.922 114.554 -0.160 0.000 2.861 19 T HA 0.446 4.829 4.350 0.056 0.000 0.287 19 T C -0.280 174.527 174.700 0.180 0.000 1.003 19 T CA -0.557 61.564 62.100 0.036 0.000 0.977 19 T CB 1.136 70.021 68.868 0.028 0.000 0.996 19 T HN 0.254 nan 8.240 nan 0.000 0.448 20 M N 3.781 123.525 119.600 0.240 0.000 2.243 20 M HA 0.556 5.069 4.480 0.056 0.000 0.324 20 M C -1.474 174.915 176.300 0.149 0.000 1.031 20 M CA -0.770 54.655 55.300 0.208 0.000 0.949 20 M CB 1.047 33.761 32.600 0.191 0.000 1.615 20 M HN 0.340 nan 8.290 nan 0.000 0.430 21 V N 6.455 126.462 119.914 0.154 0.000 2.439 21 V HA 0.428 4.581 4.120 0.056 0.000 0.282 21 V C -0.347 175.855 176.094 0.180 0.000 1.039 21 V CA -0.548 61.845 62.300 0.155 0.000 0.913 21 V CB 1.431 33.361 31.823 0.179 0.000 0.983 21 V HN 0.773 nan 8.190 nan 0.000 0.460 22 L N 5.157 126.485 121.223 0.176 0.000 2.322 22 L HA 0.687 5.060 4.340 0.056 0.000 0.281 22 L C -0.176 176.836 176.870 0.237 0.000 1.014 22 L CA -0.315 54.682 54.840 0.261 0.000 0.815 22 L CB 1.700 43.891 42.059 0.219 0.000 1.247 22 L HN 0.583 nan 8.230 nan 0.000 0.421 23 E N 1.777 122.120 120.200 0.237 0.000 2.292 23 E HA 0.681 5.064 4.350 0.056 0.000 0.272 23 E C -1.135 175.443 176.600 -0.037 0.000 0.881 23 E CA -0.819 55.606 56.400 0.042 0.000 0.754 23 E CB 2.595 32.260 29.700 -0.059 0.000 1.201 23 E HN 0.639 nan 8.360 nan 0.000 0.425 24 A N 3.766 126.557 122.820 -0.047 0.000 2.536 24 A HA 0.321 4.674 4.320 0.056 0.000 0.329 24 A C -0.832 176.634 177.584 -0.196 0.000 1.321 24 A CA -0.650 51.377 52.037 -0.018 0.000 0.804 24 A CB 0.135 19.306 19.000 0.284 0.000 1.126 24 A HN 0.563 nan 8.150 nan 0.000 0.480 25 H N 1.410 120.448 119.070 -0.053 0.000 2.629 25 H HA 0.099 4.688 4.556 0.055 0.000 0.357 25 H C -0.126 175.114 175.328 -0.147 0.000 1.121 25 H CA 0.768 56.804 56.048 -0.020 0.000 1.406 25 H CB 0.813 30.612 29.762 0.062 0.000 1.456 25 H HN 0.765 nan 8.280 nan 0.000 0.579 26 D N -0.701 119.712 120.400 0.022 0.000 2.882 26 D HA -0.167 4.506 4.640 0.056 0.000 0.229 26 D C 0.168 176.375 176.300 -0.155 0.000 1.167 26 D CA 0.902 54.866 54.000 -0.061 0.000 0.759 26 D CB -1.023 39.748 40.800 -0.049 0.000 1.088 26 D HN 0.648 nan 8.370 nan 0.000 0.425 27 A N -0.195 122.458 122.820 -0.278 0.000 2.269 27 A HA 0.576 4.929 4.320 0.056 0.000 0.319 27 A C 0.365 177.770 177.584 -0.299 0.000 1.110 27 A CA -0.452 51.416 52.037 -0.281 0.000 0.847 27 A CB 1.441 20.295 19.000 -0.244 0.000 1.161 27 A HN -0.008 nan 8.150 nan 0.000 0.497 28 Q N -0.213 119.546 119.800 -0.068 0.000 2.345 28 Q HA 0.528 4.902 4.340 0.056 0.000 0.268 28 Q C 0.765 176.875 176.000 0.182 0.000 1.054 28 Q CA 0.354 56.187 55.803 0.049 0.000 0.835 28 Q CB 1.624 30.387 28.738 0.042 0.000 1.339 28 Q HN 1.663 nan 8.270 nan 0.000 0.447 29 G N 3.166 112.088 108.800 0.205 0.000 2.634 29 G HA2 -0.301 3.692 3.960 0.056 0.000 0.309 29 G HA3 -0.301 3.692 3.960 0.056 0.000 0.309 29 G C -0.527 174.488 174.900 0.192 0.000 1.265 29 G CA 0.373 45.569 45.100 0.161 0.000 0.998 29 G HN 0.589 nan 8.290 nan 0.000 0.551 30 D N -0.243 120.225 120.400 0.114 0.000 2.210 30 D HA 0.550 5.224 4.640 0.056 0.000 0.249 30 D C -0.170 176.209 176.300 0.131 0.000 1.062 30 D CA 0.471 54.520 54.000 0.082 0.000 0.891 30 D CB 1.841 42.660 40.800 0.031 0.000 1.186 30 D HN 0.878 nan 8.370 nan 0.000 0.432 31 V N 4.037 124.037 119.914 0.144 0.000 2.462 31 V HA 0.465 4.619 4.120 0.056 0.000 0.288 31 V C -2.721 173.419 176.094 0.076 0.000 1.020 31 V CA -2.004 60.386 62.300 0.150 0.000 0.857 31 V CB 1.906 33.896 31.823 0.278 0.000 1.013 31 V HN 0.404 nan 8.190 nan 0.000 0.431 32 P HA 0.380 nan 4.420 nan 0.000 0.275 32 P C -1.049 176.179 177.300 -0.121 0.000 1.228 32 P CA -0.070 63.004 63.100 -0.044 0.000 0.786 32 P CB 1.717 33.391 31.700 -0.044 0.000 0.927 33 V N 2.161 121.968 119.914 -0.178 0.000 2.623 33 V HA 0.374 4.528 4.120 0.056 0.000 0.304 33 V C -0.040 175.897 176.094 -0.262 0.000 1.054 33 V CA -0.435 61.659 62.300 -0.344 0.000 0.882 33 V CB 2.002 33.529 31.823 -0.493 0.000 1.002 33 V HN 0.525 nan 8.190 nan 0.000 0.424 34 T N 3.619 118.012 114.554 -0.268 0.000 2.797 34 T HA 0.695 5.078 4.350 0.056 0.000 0.279 34 T C -0.440 174.119 174.700 -0.234 0.000 0.991 34 T CA -0.581 61.401 62.100 -0.198 0.000 0.979 34 T CB 1.874 70.659 68.868 -0.139 0.000 0.943 34 T HN 0.383 nan 8.240 nan 0.000 0.444 35 V N 3.719 123.511 119.914 -0.203 0.000 2.444 35 V HA 0.664 4.818 4.120 0.056 0.000 0.294 35 V C 0.333 176.292 176.094 -0.226 0.000 1.022 35 V CA -0.839 61.329 62.300 -0.220 0.000 0.850 35 V CB 1.521 33.220 31.823 -0.207 0.000 0.992 35 V HN 1.138 nan 8.190 nan 0.000 0.426 36 T N 1.812 116.210 114.554 -0.260 0.000 2.908 36 T HA 0.816 5.199 4.350 0.056 0.000 0.290 36 T C -0.817 173.603 174.700 -0.466 0.000 1.034 36 T CA -0.773 61.116 62.100 -0.352 0.000 1.010 36 T CB 1.977 70.620 68.868 -0.375 0.000 1.068 36 T HN 0.265 nan 8.240 nan 0.000 0.481 37 V N 3.665 123.276 119.914 -0.505 0.000 2.417 37 V HA 0.485 4.638 4.120 0.056 0.000 0.291 37 V C -0.377 175.465 176.094 -0.420 0.000 1.024 37 V CA -0.782 61.257 62.300 -0.434 0.000 0.861 37 V CB 1.072 32.643 31.823 -0.419 0.000 0.985 37 V HN 0.918 nan 8.190 nan 0.000 0.436 38 H N 1.390 120.440 119.070 -0.034 0.000 2.737 38 H HA 0.521 5.111 4.556 0.056 0.000 0.358 38 H C -1.057 174.306 175.328 0.057 0.000 1.187 38 H CA -0.881 55.172 56.048 0.010 0.000 1.221 38 H CB 1.846 31.616 29.762 0.013 0.000 1.799 38 H HN 0.571 nan 8.280 nan 0.000 0.568 39 D N 0.253 120.784 120.400 0.219 0.000 2.313 39 D HA 0.075 4.748 4.640 0.056 0.000 0.247 39 D C 0.166 176.622 176.300 0.259 0.000 1.094 39 D CA -0.226 53.894 54.000 0.201 0.000 0.925 39 D CB 0.654 41.540 40.800 0.144 0.000 1.188 39 D HN 0.141 nan 8.370 nan 0.000 0.430 40 F N 1.656 121.672 119.950 0.111 0.000 2.490 40 F HA 0.183 4.743 4.527 0.056 0.000 0.336 40 F C -1.506 174.329 175.800 0.059 0.000 1.178 40 F CA -1.666 56.388 58.000 0.089 0.000 1.301 40 F CB -0.440 38.645 39.000 0.141 0.000 1.175 40 F HN 0.206 nan 8.300 nan 0.000 0.593 41 P HA 0.025 nan 4.420 nan 0.000 0.247 41 P C -0.217 177.006 177.300 -0.127 0.000 1.063 41 P CA 1.599 64.501 63.100 -0.329 0.000 0.761 41 P CB -0.807 30.730 31.700 -0.271 0.000 0.630 42 G N 2.278 111.002 108.800 -0.127 0.000 2.479 42 G HA2 -0.084 3.909 3.960 0.056 0.000 0.686 42 G HA3 -0.084 3.909 3.960 0.056 0.000 0.686 42 G C -0.803 174.002 174.900 -0.157 0.000 1.295 42 G CA -0.776 44.257 45.100 -0.111 0.000 0.922 42 G HN 0.506 nan 8.290 nan 0.000 0.582 43 K N 0.537 120.793 120.400 -0.240 0.000 3.016 43 K HA 0.196 4.549 4.320 0.056 0.000 0.226 43 K C 0.480 176.998 176.600 -0.136 0.000 1.245 43 K CA -0.503 55.474 56.287 -0.518 0.000 1.174 43 K CB 0.334 32.522 32.500 -0.520 0.000 1.572 43 K HN 0.268 nan 8.250 nan 0.000 0.462 44 K N 0.753 121.174 120.400 0.036 0.000 2.387 44 K HA 0.086 4.439 4.320 0.056 0.000 0.198 44 K C 0.198 176.879 176.600 0.136 0.000 1.022 44 K CA -0.614 55.718 56.287 0.075 0.000 1.128 44 K CB -0.270 32.256 32.500 0.044 0.000 0.853 44 K HN 0.246 nan 8.250 nan 0.000 0.523 45 L N 0.852 122.240 121.223 0.276 0.000 3.121 45 L HA -0.240 4.133 4.340 0.056 0.000 0.581 45 L C 0.603 177.507 176.870 0.056 0.000 1.002 45 L CA 0.089 55.025 54.840 0.159 0.000 1.291 45 L CB -0.619 41.517 42.059 0.128 0.000 1.409 45 L HN -0.009 nan 8.230 nan 0.000 0.691 46 V N 4.503 124.424 119.914 0.011 0.000 2.446 46 V HA 0.119 4.272 4.120 0.056 0.000 0.244 46 V C 0.945 177.043 176.094 0.007 0.000 1.039 46 V CA 1.667 63.978 62.300 0.019 0.000 1.045 46 V CB 0.043 31.884 31.823 0.031 0.000 0.681 46 V HN 0.643 nan 8.190 nan 0.000 0.459 47 L N -1.091 120.107 121.223 -0.042 0.000 2.596 47 L HA 0.311 4.685 4.340 0.056 0.000 0.265 47 L C 0.836 177.658 176.870 -0.079 0.000 0.962 47 L CA -0.085 54.736 54.840 -0.031 0.000 0.891 47 L CB 1.924 43.995 42.059 0.019 0.000 1.248 47 L HN -0.063 nan 8.230 nan 0.000 0.410 48 S N 0.787 116.457 115.700 -0.049 0.000 2.359 48 S HA -0.083 4.421 4.470 0.056 0.000 0.224 48 S C 1.224 175.786 174.600 -0.064 0.000 1.035 48 S CA 1.519 59.686 58.200 -0.055 0.000 1.018 48 S CB 0.108 63.293 63.200 -0.025 0.000 0.876 48 S HN 0.778 nan 8.310 nan 0.000 0.448 49 S N 0.284 115.958 115.700 -0.043 0.000 2.329 49 S HA 0.194 4.697 4.470 0.056 0.000 0.234 49 S C 0.035 174.605 174.600 -0.051 0.000 1.288 49 S CA -0.243 57.935 58.200 -0.036 0.000 0.988 49 S CB -0.216 62.975 63.200 -0.014 0.000 0.924 49 S HN 0.448 nan 8.310 nan 0.000 0.479 50 E N 0.656 120.837 120.200 -0.031 0.000 3.117 50 E HA -0.133 4.250 4.350 0.056 0.000 0.156 50 E C -1.320 175.239 176.600 -0.069 0.000 1.699 50 E CA 0.589 56.969 56.400 -0.033 0.000 0.728 50 E CB -1.433 28.256 29.700 -0.018 0.000 1.091 50 E HN 0.513 nan 8.360 nan 0.000 0.369 51 K N -0.176 120.188 120.400 -0.061 0.000 2.705 51 K HA 0.571 4.924 4.320 0.056 0.000 0.238 51 K C -0.138 176.422 176.600 -0.067 0.000 0.996 51 K CA -0.619 55.620 56.287 -0.080 0.000 1.007 51 K CB 1.459 33.916 32.500 -0.072 0.000 1.206 51 K HN 0.216 nan 8.250 nan 0.000 0.488 52 T N -1.607 112.901 114.554 -0.077 0.000 2.876 52 T HA 0.648 5.031 4.350 0.056 0.000 0.277 52 T C -0.298 174.365 174.700 -0.061 0.000 0.997 52 T CA -0.830 61.236 62.100 -0.057 0.000 0.966 52 T CB 1.270 70.114 68.868 -0.041 0.000 1.312 52 T HN 0.188 nan 8.240 nan 0.000 0.598 53 V N 1.308 121.196 119.914 -0.043 0.000 2.531 53 V HA 0.401 4.554 4.120 0.056 0.000 0.301 53 V C -0.433 175.646 176.094 -0.025 0.000 1.034 53 V CA -0.941 61.339 62.300 -0.033 0.000 0.865 53 V CB 1.495 33.300 31.823 -0.031 0.000 0.995 53 V HN 0.763 nan 8.190 nan 0.000 0.424 54 L N 5.404 126.632 121.223 0.008 0.000 2.278 54 L HA 0.524 4.897 4.340 0.056 0.000 0.287 54 L C 0.720 177.518 176.870 -0.121 0.000 1.072 54 L CA 0.063 54.906 54.840 0.005 0.000 0.819 54 L CB 1.029 43.179 42.059 0.153 0.000 1.176 54 L HN 0.833 nan 8.230 nan 0.000 0.435 55 T N -0.361 114.042 114.554 -0.251 0.000 2.950 55 T HA 0.464 4.848 4.350 0.056 0.000 0.288 55 T C -2.187 172.122 174.700 -0.652 0.000 1.035 55 T CA -2.119 59.763 62.100 -0.363 0.000 1.028 55 T CB 2.116 70.876 68.868 -0.179 0.000 1.109 55 T HN 0.190 nan 8.240 nan 0.000 0.514 56 P HA 0.136 nan 4.420 nan 0.000 0.223 56 P C 1.364 178.569 177.300 -0.157 0.000 1.151 56 P CA 0.663 63.575 63.100 -0.313 0.000 0.787 56 P CB -0.207 31.459 31.700 -0.057 0.000 0.788 57 A N -0.162 122.573 122.820 -0.142 0.000 1.968 57 A HA -0.089 4.264 4.320 0.056 0.000 0.217 57 A C 1.978 179.509 177.584 -0.089 0.000 1.169 57 A CA 1.961 53.945 52.037 -0.088 0.000 0.638 57 A CB -1.693 17.266 19.000 -0.069 0.000 0.812 57 A HN 0.318 nan 8.150 nan 0.000 0.446 58 T N -3.772 110.712 114.554 -0.117 0.000 3.144 58 T HA 0.162 4.546 4.350 0.056 0.000 0.249 58 T C 0.401 175.034 174.700 -0.112 0.000 1.089 58 T CA 0.416 62.456 62.100 -0.099 0.000 0.989 58 T CB -0.593 68.223 68.868 -0.088 0.000 0.992 58 T HN 0.466 nan 8.240 nan 0.000 0.540 59 N N 1.348 119.970 118.700 -0.129 0.000 2.747 59 N HA -0.200 4.573 4.740 0.056 0.000 0.249 59 N C -0.161 175.315 175.510 -0.058 0.000 1.107 59 N CA 0.810 53.794 53.050 -0.111 0.000 0.707 59 N CB -2.287 36.105 38.487 -0.157 0.000 1.054 59 N HN 0.795 nan 8.380 nan 0.000 0.555 60 H N -3.323 115.697 119.070 -0.084 0.000 2.921 60 H HA -0.209 4.380 4.556 0.055 0.000 0.281 60 H C 0.056 175.343 175.328 -0.068 0.000 1.165 60 H CA 1.574 57.588 56.048 -0.055 0.000 1.151 60 H CB -0.695 29.034 29.762 -0.054 0.000 1.311 60 H HN 0.489 nan 8.280 nan 0.000 0.361 61 M N 0.486 120.078 119.600 -0.012 0.000 2.253 61 M HA 0.533 5.047 4.480 0.056 0.000 0.314 61 M C 0.318 176.621 176.300 0.005 0.000 1.019 61 M CA 0.019 55.313 55.300 -0.010 0.000 0.932 61 M CB 1.426 33.987 32.600 -0.065 0.000 1.606 61 M HN 0.284 nan 8.290 nan 0.000 0.430 62 G N 2.512 111.339 108.800 0.045 0.000 2.911 62 G HA2 0.572 4.565 3.960 0.056 0.000 0.299 62 G HA3 0.572 4.565 3.960 0.056 0.000 0.299 62 G C -2.045 172.888 174.900 0.055 0.000 1.283 62 G CA -0.565 44.557 45.100 0.036 0.000 0.805 62 G HN 0.608 nan 8.290 nan 0.000 0.548 63 N N -1.158 117.567 118.700 0.041 0.000 2.666 63 N HA 0.466 5.239 4.740 0.056 0.000 0.260 63 N C -1.221 174.313 175.510 0.041 0.000 1.077 63 N CA -0.305 52.775 53.050 0.049 0.000 1.026 63 N CB 2.088 40.596 38.487 0.035 0.000 1.653 63 N HN 0.887 nan 8.380 nan 0.000 0.533 64 V N 0.144 120.098 119.914 0.067 0.000 2.588 64 V HA 0.867 5.020 4.120 0.056 0.000 0.304 64 V C -0.116 176.070 176.094 0.153 0.000 1.042 64 V CA -0.688 61.661 62.300 0.082 0.000 0.877 64 V CB 1.340 33.194 31.823 0.052 0.000 0.996 64 V HN 0.696 nan 8.190 nan 0.000 0.425 65 T N 2.686 117.313 114.554 0.122 0.000 2.779 65 T HA 0.820 5.203 4.350 0.056 0.000 0.280 65 T C -0.690 174.099 174.700 0.148 0.000 0.987 65 T CA -0.439 61.716 62.100 0.092 0.000 0.966 65 T CB 0.977 69.850 68.868 0.009 0.000 0.933 65 T HN 1.268 nan 8.240 nan 0.000 0.442 66 F N -0.032 119.912 119.950 -0.011 0.000 2.593 66 F HA 0.868 5.428 4.527 0.056 0.000 0.320 66 F C -0.613 175.181 175.800 -0.011 0.000 1.060 66 F CA -1.053 56.937 58.000 -0.017 0.000 0.940 66 F CB 1.534 40.518 39.000 -0.026 0.000 1.268 66 F HN 0.511 nan 8.300 nan 0.000 0.475 67 T N 2.885 117.474 114.554 0.059 0.000 2.887 67 T HA 0.663 5.046 4.350 0.056 0.000 0.288 67 T C -0.658 174.101 174.700 0.098 0.000 1.021 67 T CA -0.530 61.559 62.100 -0.018 0.000 1.000 67 T CB 1.826 70.685 68.868 -0.016 0.000 1.034 67 T HN 0.565 nan 8.240 nan 0.000 0.467 68 I N 4.139 124.745 120.570 0.060 0.000 2.406 68 I HA 0.355 4.558 4.170 0.056 0.000 0.290 68 I C -2.044 174.095 176.117 0.037 0.000 0.999 68 I CA -2.509 58.843 61.300 0.086 0.000 1.124 68 I CB 2.237 40.306 38.000 0.115 0.000 1.289 68 I HN 0.382 nan 8.210 nan 0.000 0.441 77 E N 0.747 120.961 120.200 0.023 0.000 2.429 77 E HA 0.720 5.103 4.350 0.056 0.000 0.280 77 E C -1.919 174.698 176.600 0.028 0.000 1.068 77 E CA -0.818 55.595 56.400 0.022 0.000 0.837 77 E CB 1.781 31.493 29.700 0.020 0.000 1.357 77 E HN 0.079 nan 8.360 nan 0.000 0.455 78 K N -0.336 120.082 120.400 0.031 0.000 3.778 78 K HA 0.333 4.687 4.320 0.056 0.000 0.491 78 K C -0.973 175.662 176.600 0.059 0.000 1.236 78 K CA 0.491 56.804 56.287 0.044 0.000 0.985 78 K CB 0.468 32.998 32.500 0.050 0.000 1.146 78 K HN 1.345 nan 8.250 nan 0.000 0.452 79 G N 2.607 111.451 108.800 0.073 0.000 3.209 79 G HA2 -0.194 3.799 3.960 0.056 0.000 0.686 79 G HA3 -0.194 3.799 3.960 0.056 0.000 0.686 79 G C 0.569 175.522 174.900 0.090 0.000 1.065 79 G CA 0.319 45.484 45.100 0.110 0.000 0.812 79 G HN 0.843 nan 8.290 nan 0.000 0.573 80 R N 1.082 121.644 120.500 0.104 0.000 2.226 80 R HA -0.128 4.245 4.340 0.056 0.000 0.246 80 R C 0.561 176.913 176.300 0.086 0.000 1.161 80 R CA 1.750 57.903 56.100 0.088 0.000 0.997 80 R CB 0.015 30.373 30.300 0.097 0.000 0.870 80 R HN 0.553 nan 8.270 nan 0.000 0.465 81 N N -0.196 118.575 118.700 0.118 0.000 2.710 81 N HA 0.135 4.908 4.740 0.056 0.000 0.257 81 N C -2.173 173.276 175.510 -0.102 0.000 1.140 81 N CA -0.746 52.293 53.050 -0.019 0.000 0.953 81 N CB 2.023 40.492 38.487 -0.029 0.000 1.664 81 N HN 0.176 nan 8.380 nan 0.000 0.497 82 K N 2.016 122.245 120.400 -0.284 0.000 2.234 82 K HA 0.546 4.900 4.320 0.056 0.000 0.282 82 K C -1.168 175.132 176.600 -0.500 0.000 1.039 82 K CA 0.030 56.202 56.287 -0.193 0.000 0.928 82 K CB 0.429 32.872 32.500 -0.095 0.000 1.039 82 K HN 0.331 nan 8.250 nan 0.000 0.470 83 F N 2.900 122.874 119.950 0.040 0.000 2.588 83 F HA 0.471 5.032 4.527 0.056 0.000 0.314 83 F C -0.262 175.576 175.800 0.064 0.000 1.069 83 F CA -0.959 57.023 58.000 -0.031 0.000 0.931 83 F CB 1.894 40.723 39.000 -0.285 0.000 1.260 83 F HN 0.286 nan 8.300 nan 0.000 0.465 84 V N -1.916 118.130 119.914 0.220 0.000 3.126 84 V HA 0.806 4.959 4.120 0.056 0.000 0.314 84 V C -0.788 175.401 176.094 0.159 0.000 1.138 84 V CA -0.765 61.649 62.300 0.191 0.000 1.034 84 V CB 1.715 33.611 31.823 0.121 0.000 1.075 84 V HN 0.705 nan 8.190 nan 0.000 0.442 85 T N 1.663 116.312 114.554 0.158 0.000 2.772 85 T HA 0.586 4.969 4.350 0.056 0.000 0.288 85 T C -0.429 174.281 174.700 0.017 0.000 0.994 85 T CA -0.265 61.907 62.100 0.119 0.000 0.951 85 T CB 1.166 70.154 68.868 0.200 0.000 0.933 85 T HN 0.701 nan 8.240 nan 0.000 0.447 86 V N 4.606 124.501 119.914 -0.032 0.000 2.385 86 V HA 0.382 4.535 4.120 0.056 0.000 0.269 86 V C 0.220 176.267 176.094 -0.078 0.000 1.043 86 V CA -0.599 61.625 62.300 -0.127 0.000 0.906 86 V CB 1.088 32.825 31.823 -0.144 0.000 0.995 86 V HN 0.834 nan 8.190 nan 0.000 0.467 87 Q N 4.070 123.804 119.800 -0.110 0.000 2.333 87 Q HA 0.725 5.098 4.340 0.056 0.000 0.268 87 Q C -0.691 175.243 176.000 -0.110 0.000 1.007 87 Q CA -0.563 55.205 55.803 -0.057 0.000 0.810 87 Q CB 1.715 30.457 28.738 0.008 0.000 1.264 87 Q HN 0.863 nan 8.270 nan 0.000 0.452 88 A N 3.140 125.914 122.820 -0.077 0.000 2.318 88 A HA 0.574 4.927 4.320 0.056 0.000 0.324 88 A C -0.651 176.825 177.584 -0.180 0.000 1.170 88 A CA -0.530 51.395 52.037 -0.187 0.000 0.810 88 A CB 1.845 20.752 19.000 -0.156 0.000 1.198 88 A HN 0.624 nan 8.150 nan 0.000 0.484 89 T N 2.459 116.822 114.554 -0.318 0.000 2.809 89 T HA 0.569 4.952 4.350 0.056 0.000 0.296 89 T C -1.316 173.164 174.700 -0.367 0.000 1.015 89 T CA -0.192 61.780 62.100 -0.214 0.000 0.954 89 T CB -0.494 68.301 68.868 -0.122 0.000 0.950 89 T HN 0.319 nan 8.240 nan 0.000 0.450 90 F N 5.330 125.118 119.950 -0.270 0.000 2.359 90 F HA 0.516 5.076 4.527 0.055 0.000 0.355 90 F C 1.559 177.100 175.800 -0.433 0.000 1.132 90 F CA 0.281 58.009 58.000 -0.454 0.000 1.246 90 F CB 0.385 38.817 39.000 -0.946 0.000 1.569 90 F HN 0.998 nan 8.300 nan 0.000 0.561 91 G N 1.914 110.636 108.800 -0.130 0.000 2.609 91 G HA2 -0.399 3.595 3.960 0.056 0.000 0.288 91 G HA3 -0.399 3.595 3.960 0.056 0.000 0.288 91 G C 1.119 175.983 174.900 -0.060 0.000 1.211 91 G CA 0.455 45.509 45.100 -0.077 0.000 0.963 91 G HN 0.642 nan 8.290 nan 0.000 0.541 92 T N -1.510 113.023 114.554 -0.035 0.000 3.069 92 T HA 0.475 4.859 4.350 0.056 0.000 0.252 92 T C 0.954 175.653 174.700 -0.001 0.000 1.053 92 T CA 1.343 63.435 62.100 -0.014 0.000 0.964 92 T CB 0.610 69.481 68.868 0.004 0.000 1.005 92 T HN 0.702 nan 8.240 nan 0.000 0.532 93 Q N 2.350 122.144 119.800 -0.011 0.000 2.389 93 Q HA 0.439 4.813 4.340 0.056 0.000 0.244 93 Q C -0.936 175.105 176.000 0.069 0.000 1.056 93 Q CA -0.326 55.497 55.803 0.034 0.000 0.908 93 Q CB 0.458 29.222 28.738 0.043 0.000 1.273 93 Q HN 0.264 nan 8.270 nan 0.000 0.471 94 V N 5.011 124.962 119.914 0.062 0.000 2.530 94 V HA 0.298 4.452 4.120 0.056 0.000 0.282 94 V C -0.209 175.946 176.094 0.100 0.000 1.048 94 V CA -0.468 61.872 62.300 0.067 0.000 0.997 94 V CB 1.259 33.103 31.823 0.035 0.000 0.987 94 V HN 0.558 nan 8.190 nan 0.000 0.477 95 V N 5.638 125.635 119.914 0.138 0.000 2.487 95 V HA 0.561 4.714 4.120 0.056 0.000 0.298 95 V C -0.183 175.951 176.094 0.066 0.000 1.028 95 V CA -0.596 61.772 62.300 0.113 0.000 0.860 95 V CB 1.638 33.565 31.823 0.174 0.000 0.991 95 V HN 1.067 nan 8.190 nan 0.000 0.427 96 E N 3.476 123.695 120.200 0.031 0.000 2.369 96 E HA 0.897 5.280 4.350 0.056 0.000 0.270 96 E C -1.304 175.297 176.600 0.002 0.000 0.909 96 E CA -1.327 55.085 56.400 0.019 0.000 0.775 96 E CB 3.035 32.757 29.700 0.036 0.000 1.270 96 E HN 0.336 nan 8.360 nan 0.000 0.445 97 K N 1.235 121.635 120.400 0.001 0.000 2.550 97 K HA 0.244 4.597 4.320 0.056 0.000 0.252 97 K C -1.558 175.043 176.600 0.001 0.000 0.943 97 K CA -0.769 55.513 56.287 -0.009 0.000 0.806 97 K CB 2.094 34.583 32.500 -0.020 0.000 1.289 97 K HN 0.612 nan 8.250 nan 0.000 0.435 98 V N 2.095 121.993 119.914 -0.027 0.000 2.461 98 V HA 0.756 4.909 4.120 0.056 0.000 0.275 98 V C -0.494 175.602 176.094 0.004 0.000 1.047 98 V CA -0.416 61.848 62.300 -0.060 0.000 0.955 98 V CB 1.141 32.779 31.823 -0.307 0.000 0.988 98 V HN 0.356 nan 8.190 nan 0.000 0.471 99 V N 6.016 125.980 119.914 0.084 0.000 2.680 99 V HA 0.467 4.620 4.120 0.056 0.000 0.309 99 V C -0.077 176.110 176.094 0.154 0.000 1.052 99 V CA -0.772 61.600 62.300 0.120 0.000 0.908 99 V CB 1.619 33.496 31.823 0.091 0.000 1.001 99 V HN 1.003 nan 8.190 nan 0.000 0.431 100 L N 5.235 126.505 121.223 0.079 0.000 2.416 100 L HA 0.516 4.890 4.340 0.056 0.000 0.272 100 L C -0.335 176.430 176.870 -0.175 0.000 1.161 100 L CA 0.651 55.345 54.840 -0.244 0.000 0.845 100 L CB 1.150 43.076 42.059 -0.221 0.000 1.119 100 L HN 0.473 nan 8.230 nan 0.000 0.464 101 V N 4.310 124.071 119.914 -0.256 0.000 2.495 101 V HA 0.428 4.581 4.120 0.056 0.000 0.298 101 V C 0.167 176.172 176.094 -0.149 0.000 1.031 101 V CA -0.618 61.603 62.300 -0.133 0.000 0.871 101 V CB 1.400 33.181 31.823 -0.070 0.000 0.988 101 V HN 0.882 nan 8.190 nan 0.000 0.432 102 S N 3.124 118.761 115.700 -0.105 0.000 2.565 102 S HA 0.402 4.906 4.470 0.056 0.000 0.274 102 S C 0.464 175.032 174.600 -0.055 0.000 1.309 102 S CA -0.506 57.641 58.200 -0.088 0.000 1.043 102 S CB 0.723 63.864 63.200 -0.099 0.000 0.939 102 S HN 0.535 nan 8.310 nan 0.000 0.504 103 L N 3.947 125.146 121.223 -0.040 0.000 2.628 103 L HA 0.258 4.632 4.340 0.056 0.000 0.229 103 L C 1.067 177.937 176.870 0.001 0.000 1.137 103 L CA 0.583 55.411 54.840 -0.020 0.000 0.909 103 L CB -0.749 41.298 42.059 -0.020 0.000 1.137 103 L HN 0.736 nan 8.230 nan 0.000 0.470 104 Q N -2.259 117.558 119.800 0.028 0.000 2.230 104 Q HA 0.330 4.703 4.340 0.056 0.000 0.248 104 Q C 0.260 176.278 176.000 0.030 0.000 0.915 104 Q CA -0.226 55.612 55.803 0.059 0.000 0.900 104 Q CB 1.246 30.058 28.738 0.123 0.000 1.229 104 Q HN -0.013 nan 8.270 nan 0.000 0.439 105 S N 0.806 116.388 115.700 -0.197 0.000 2.517 105 S HA 0.340 4.844 4.470 0.056 0.000 0.214 105 S C 0.602 174.798 174.600 -0.672 0.000 0.991 105 S CA 0.320 58.219 58.200 -0.501 0.000 0.906 105 S CB 0.360 62.930 63.200 -1.050 0.000 0.789 105 S HN 0.991 nan 8.310 nan 0.000 0.513 106 G N 0.306 108.649 108.800 -0.762 0.000 2.295 106 G HA2 0.135 4.128 3.960 0.056 0.000 0.155 106 G HA3 0.135 4.128 3.960 0.056 0.000 0.155 106 G C -1.940 172.521 174.900 -0.732 0.000 1.307 106 G CA -0.923 43.479 45.100 -1.163 0.000 1.140 106 G HN 0.175 nan 8.290 nan 0.000 0.470 107 Y N -0.357 119.795 120.300 -0.248 0.000 2.570 107 Y HA 0.826 5.413 4.550 0.060 0.000 0.345 107 Y C 0.201 175.471 175.900 -1.050 0.000 1.014 107 Y CA -0.953 56.717 58.100 -0.716 0.000 1.063 107 Y CB 2.074 40.080 38.460 -0.757 0.000 1.272 107 Y HN 0.481 nan 8.280 nan 0.000 0.477 108 L N 2.793 122.974 121.223 -1.737 0.000 2.356 108 L HA 0.546 4.920 4.340 0.056 0.000 0.277 108 L C -1.563 174.730 176.870 -0.961 0.000 0.996 108 L CA -0.509 53.657 54.840 -1.124 0.000 0.822 108 L CB 1.246 42.753 42.059 -0.921 0.000 1.256 108 L HN 0.434 nan 8.230 nan 0.000 0.413 109 F N 3.715 123.628 119.950 -0.061 0.000 2.444 109 F HA 0.558 5.118 4.527 0.054 0.000 0.342 109 F C 0.151 176.105 175.800 0.257 0.000 1.121 109 F CA -0.663 57.386 58.000 0.082 0.000 0.997 109 F CB 1.394 40.407 39.000 0.021 0.000 1.130 109 F HN 0.163 nan 8.300 nan 0.000 0.454 110 I N 3.103 123.891 120.570 0.363 0.000 2.354 110 I HA 0.347 4.550 4.170 0.056 0.000 0.292 110 I C -0.467 175.855 176.117 0.342 0.000 0.989 110 I CA -0.674 60.810 61.300 0.306 0.000 1.188 110 I CB 1.636 39.771 38.000 0.225 0.000 1.342 110 I HN 0.567 nan 8.210 nan 0.000 0.457 111 Q N 5.572 125.594 119.800 0.369 0.000 2.322 111 Q HA 0.435 4.808 4.340 0.056 0.000 0.265 111 Q C -0.720 175.443 176.000 0.272 0.000 0.985 111 Q CA -0.633 55.370 55.803 0.334 0.000 0.849 111 Q CB 1.982 30.988 28.738 0.447 0.000 1.274 111 Q HN 0.805 nan 8.270 nan 0.000 0.449 112 T N -0.296 114.407 114.554 0.247 0.000 2.929 112 T HA 0.165 4.548 4.350 0.056 0.000 0.284 112 T C 0.970 175.807 174.700 0.228 0.000 1.014 112 T CA -0.436 61.805 62.100 0.234 0.000 1.051 112 T CB 1.125 70.118 68.868 0.209 0.000 1.028 112 T HN 0.712 nan 8.240 nan 0.000 0.485 113 D N 1.347 121.884 120.400 0.229 0.000 2.144 113 D HA -0.085 4.589 4.640 0.056 0.000 0.199 113 D C 0.449 176.814 176.300 0.108 0.000 0.984 113 D CA 1.158 55.259 54.000 0.168 0.000 0.834 113 D CB 0.172 41.061 40.800 0.147 0.000 0.955 113 D HN 0.621 nan 8.370 nan 0.000 0.465 114 K N -1.375 119.064 120.400 0.066 0.000 2.409 114 K HA 0.332 4.685 4.320 0.056 0.000 0.252 114 K C 0.794 177.347 176.600 -0.078 0.000 1.036 114 K CA -0.180 56.004 56.287 -0.172 0.000 0.871 114 K CB 1.745 33.892 32.500 -0.589 0.000 1.374 114 K HN -0.049 nan 8.250 nan 0.000 0.459 115 T N -2.075 112.422 114.554 -0.096 0.000 3.057 115 T HA 0.266 4.650 4.350 0.056 0.000 0.254 115 T C 0.796 175.540 174.700 0.074 0.000 1.094 115 T CA 0.109 62.256 62.100 0.078 0.000 1.088 115 T CB 0.035 68.973 68.868 0.117 0.000 0.934 115 T HN 0.498 nan 8.240 nan 0.000 0.497 116 I N -0.265 120.189 120.570 -0.193 0.000 2.841 116 I HA 0.599 4.802 4.170 0.056 0.000 0.298 116 I C -2.137 173.832 176.117 -0.246 0.000 1.304 116 I CA -1.599 59.663 61.300 -0.063 0.000 1.019 116 I CB 2.203 40.094 38.000 -0.183 0.000 1.282 116 I HN 0.069 nan 8.210 nan 0.000 0.432 117 Y N 2.799 123.262 120.300 0.272 0.000 2.571 117 Y HA 0.475 5.058 4.550 0.055 0.000 0.341 117 Y C 0.015 176.039 175.900 0.206 0.000 1.076 117 Y CA -0.729 57.504 58.100 0.220 0.000 1.029 117 Y CB 2.270 40.757 38.460 0.046 0.000 1.308 117 Y HN 0.567 nan 8.280 nan 0.000 0.461 118 T N -0.560 114.079 114.554 0.141 0.000 2.922 118 T HA 0.517 4.900 4.350 0.056 0.000 0.285 118 T C -2.864 171.800 174.700 -0.060 0.000 1.005 118 T CA -2.500 59.562 62.100 -0.064 0.000 1.061 118 T CB 1.365 70.049 68.868 -0.307 0.000 1.007 118 T HN 0.156 nan 8.240 nan 0.000 0.502 119 P HA 0.258 nan 4.420 nan 0.000 0.264 119 P C 1.164 178.380 177.300 -0.140 0.000 1.183 119 P CA 1.182 64.212 63.100 -0.117 0.000 0.763 119 P CB 0.145 31.805 31.700 -0.066 0.000 0.807 120 G N 1.397 110.083 108.800 -0.188 0.000 2.217 120 G HA2 -0.233 3.761 3.960 0.056 0.000 0.246 120 G HA3 -0.233 3.761 3.960 0.056 0.000 0.246 120 G C 0.455 175.249 174.900 -0.177 0.000 0.990 120 G CA 0.363 45.360 45.100 -0.171 0.000 0.627 120 G HN 0.791 nan 8.290 nan 0.000 0.522 121 S N -0.746 114.847 115.700 -0.179 0.000 2.694 121 S HA 0.788 5.291 4.470 0.056 0.000 0.278 121 S C -0.091 174.374 174.600 -0.224 0.000 1.152 121 S CA 0.379 58.497 58.200 -0.137 0.000 1.010 121 S CB 1.956 65.138 63.200 -0.030 0.000 1.104 121 S HN 0.600 nan 8.310 nan 0.000 0.547 122 T N 1.210 115.675 114.554 -0.149 0.000 2.809 122 T HA 0.481 4.864 4.350 0.056 0.000 0.284 122 T C -0.708 173.882 174.700 -0.183 0.000 0.992 122 T CA -0.532 61.450 62.100 -0.196 0.000 0.957 122 T CB 1.192 69.992 68.868 -0.114 0.000 0.942 122 T HN 0.506 nan 8.240 nan 0.000 0.439 123 V N 5.575 125.263 119.914 -0.377 0.000 2.455 123 V HA 0.310 4.463 4.120 0.056 0.000 0.273 123 V C 0.018 176.096 176.094 -0.028 0.000 1.045 123 V CA -0.401 61.580 62.300 -0.530 0.000 0.976 123 V CB 0.298 31.593 31.823 -0.880 0.000 0.993 123 V HN 0.687 nan 8.190 nan 0.000 0.475 124 L N 7.401 128.667 121.223 0.072 0.000 2.307 124 L HA 0.665 5.038 4.340 0.056 0.000 0.284 124 L C -0.637 176.371 176.870 0.230 0.000 1.023 124 L CA -0.570 54.347 54.840 0.128 0.000 0.810 124 L CB 1.135 43.238 42.059 0.073 0.000 1.231 124 L HN 0.765 nan 8.230 nan 0.000 0.423 125 Y N 1.498 121.776 120.300 -0.038 0.000 2.544 125 Y HA 0.773 5.357 4.550 0.056 0.000 0.342 125 Y C -1.037 174.824 175.900 -0.065 0.000 1.062 125 Y CA -1.389 56.695 58.100 -0.027 0.000 1.023 125 Y CB 1.424 39.868 38.460 -0.027 0.000 1.308 125 Y HN 0.559 nan 8.280 nan 0.000 0.457 126 R N 2.854 123.358 120.500 0.006 0.000 2.686 126 R HA 0.689 5.062 4.340 0.056 0.000 0.286 126 R C -2.052 174.090 176.300 -0.263 0.000 0.969 126 R CA -0.781 55.172 56.100 -0.244 0.000 0.898 126 R CB 2.167 32.229 30.300 -0.397 0.000 1.183 126 R HN 0.823 nan 8.270 nan 0.000 0.456 127 I N 2.857 123.230 120.570 -0.328 0.000 2.359 127 I HA 0.334 4.537 4.170 0.056 0.000 0.294 127 I C -0.577 175.279 176.117 -0.435 0.000 0.987 127 I CA -0.553 60.603 61.300 -0.241 0.000 1.225 127 I CB 0.938 38.854 38.000 -0.139 0.000 1.366 127 I HN 0.418 nan 8.210 nan 0.000 0.466 128 F N 3.474 123.430 119.950 0.010 0.000 2.385 128 F HA 0.411 4.972 4.527 0.058 0.000 0.360 128 F C 0.657 176.447 175.800 -0.016 0.000 1.122 128 F CA -0.799 57.225 58.000 0.039 0.000 1.090 128 F CB 1.373 40.462 39.000 0.147 0.000 1.150 128 F HN 0.386 nan 8.300 nan 0.000 0.472 129 T N 1.957 116.585 114.554 0.124 0.000 2.801 129 T HA 0.665 5.049 4.350 0.056 0.000 0.306 129 T C -0.471 174.325 174.700 0.160 0.000 1.020 129 T CA -0.638 61.517 62.100 0.092 0.000 0.948 129 T CB 0.303 69.218 68.868 0.078 0.000 0.962 129 T HN 0.498 nan 8.240 nan 0.000 0.465 130 V N 1.643 121.652 119.914 0.157 0.000 3.046 130 V HA 0.819 4.972 4.120 0.056 0.000 0.316 130 V C -0.291 175.813 176.094 0.016 0.000 1.104 130 V CA -1.382 60.997 62.300 0.131 0.000 1.006 130 V CB 1.756 33.711 31.823 0.221 0.000 1.058 130 V HN 0.941 nan 8.190 nan 0.000 0.440 131 N N -0.045 118.637 118.700 -0.030 0.000 2.495 131 N HA 0.299 5.072 4.740 0.056 0.000 0.294 131 N C 0.602 176.000 175.510 -0.187 0.000 1.276 131 N CA 0.092 53.026 53.050 -0.194 0.000 0.973 131 N CB -0.358 38.072 38.487 -0.095 0.000 1.143 131 N HN 0.772 nan 8.380 nan 0.000 0.589 132 H N -1.413 117.621 119.070 -0.061 0.000 2.495 132 H HA 0.149 4.738 4.556 0.054 0.000 0.287 132 H C 0.738 176.209 175.328 0.240 0.000 1.033 132 H CA 1.059 57.130 56.048 0.037 0.000 1.307 132 H CB 0.171 29.916 29.762 -0.028 0.000 1.401 132 H HN 0.475 nan 8.280 nan 0.000 0.555 133 K N 0.648 121.192 120.400 0.242 0.000 2.525 133 K HA 0.049 4.402 4.320 0.056 0.000 0.192 133 K C 0.196 176.924 176.600 0.214 0.000 1.029 133 K CA 0.310 56.725 56.287 0.213 0.000 1.029 133 K CB 0.452 33.031 32.500 0.131 0.000 0.814 133 K HN 0.231 nan 8.250 nan 0.000 0.503 134 L N 0.019 121.381 121.223 0.231 0.000 4.759 134 L HA -0.237 4.137 4.340 0.056 0.000 0.419 134 L C -0.321 176.620 176.870 0.119 0.000 1.093 134 L CA 0.151 55.105 54.840 0.191 0.000 1.037 134 L CB -1.731 40.382 42.059 0.091 0.000 2.095 134 L HN 0.190 nan 8.230 nan 0.000 0.739 135 L N 1.859 123.143 121.223 0.101 0.000 2.371 135 L HA 0.374 4.747 4.340 0.056 0.000 0.272 135 L C -1.557 175.354 176.870 0.067 0.000 1.124 135 L CA -1.715 53.167 54.840 0.071 0.000 0.816 135 L CB 0.459 42.551 42.059 0.055 0.000 1.129 135 L HN -0.218 nan 8.230 nan 0.000 0.448 136 P HA 0.064 nan 4.420 nan 0.000 0.268 136 P C -0.833 176.495 177.300 0.047 0.000 1.204 136 P CA -0.074 63.069 63.100 0.072 0.000 0.768 136 P CB 0.988 32.728 31.700 0.068 0.000 0.842 137 V N 0.262 120.207 119.914 0.051 0.000 2.680 137 V HA 0.830 4.983 4.120 0.056 0.000 0.309 137 V C 0.337 176.458 176.094 0.045 0.000 1.052 137 V CA -0.975 61.340 62.300 0.026 0.000 0.908 137 V CB 1.704 33.515 31.823 -0.021 0.000 1.001 137 V HN 0.591 nan 8.190 nan 0.000 0.431 138 G N 4.321 113.135 108.800 0.024 0.000 2.448 138 G HA2 0.628 4.621 3.960 0.056 0.000 0.309 138 G HA3 0.628 4.621 3.960 0.056 0.000 0.309 138 G C -0.129 174.793 174.900 0.036 0.000 1.027 138 G CA -0.538 44.578 45.100 0.027 0.000 1.104 138 G HN 0.675 nan 8.290 nan 0.000 0.428 139 R N 0.863 121.409 120.500 0.077 0.000 2.799 139 R HA 0.514 4.887 4.340 0.056 0.000 0.270 139 R C -0.296 176.068 176.300 0.106 0.000 1.010 139 R CA -0.790 55.375 56.100 0.109 0.000 0.916 139 R CB 1.209 31.624 30.300 0.192 0.000 1.228 139 R HN 0.554 nan 8.270 nan 0.000 0.469 140 T N -1.691 112.921 114.554 0.097 0.000 2.845 140 T HA 0.554 4.937 4.350 0.056 0.000 0.288 140 T C -0.114 174.606 174.700 0.033 0.000 0.980 140 T CA -0.476 61.651 62.100 0.045 0.000 1.071 140 T CB 0.879 69.759 68.868 0.020 0.000 0.941 140 T HN 0.154 nan 8.240 nan 0.000 0.487 141 V N 5.333 125.204 119.914 -0.073 0.000 2.604 141 V HA 0.488 4.642 4.120 0.056 0.000 0.305 141 V C -0.180 175.763 176.094 -0.252 0.000 1.043 141 V CA -1.051 61.133 62.300 -0.194 0.000 0.888 141 V CB 1.892 33.566 31.823 -0.249 0.000 0.995 141 V HN 0.907 nan 8.190 nan 0.000 0.429 142 M N 5.312 124.632 119.600 -0.468 0.000 2.113 142 M HA 0.513 5.027 4.480 0.056 0.000 0.352 142 M C -0.585 175.437 176.300 -0.463 0.000 1.170 142 M CA -0.559 54.415 55.300 -0.543 0.000 1.053 142 M CB 0.867 32.947 32.600 -0.867 0.000 1.601 142 M HN 0.410 nan 8.290 nan 0.000 0.459 143 V N 5.630 125.415 119.914 -0.215 0.000 2.495 143 V HA 0.603 4.756 4.120 0.056 0.000 0.298 143 V C -0.976 175.097 176.094 -0.036 0.000 1.031 143 V CA -0.451 61.798 62.300 -0.085 0.000 0.871 143 V CB 1.801 33.629 31.823 0.008 0.000 0.988 143 V HN 0.920 nan 8.190 nan 0.000 0.432 144 N N 6.075 124.766 118.700 -0.014 0.000 2.352 144 N HA 0.511 5.284 4.740 0.056 0.000 0.291 144 N C -1.073 174.398 175.510 -0.065 0.000 1.040 144 N CA -0.342 52.691 53.050 -0.029 0.000 0.864 144 N CB 2.526 41.011 38.487 -0.004 0.000 1.440 144 N HN 0.598 nan 8.380 nan 0.000 0.483 145 I N 1.523 122.005 120.570 -0.147 0.000 2.395 145 I HA 0.156 4.359 4.170 0.056 0.000 0.289 145 I C 0.442 176.456 176.117 -0.170 0.000 1.023 145 I CA 0.000 61.172 61.300 -0.213 0.000 1.350 145 I CB 0.847 38.549 38.000 -0.497 0.000 1.409 145 I HN 0.239 nan 8.210 nan 0.000 0.507 146 E N 5.126 125.258 120.200 -0.114 0.000 2.222 146 E HA 0.217 4.600 4.350 0.056 0.000 0.267 146 E C -0.869 175.501 176.600 -0.384 0.000 0.884 146 E CA -0.885 55.403 56.400 -0.187 0.000 0.764 146 E CB 1.753 31.355 29.700 -0.163 0.000 1.169 146 E HN 0.591 nan 8.360 nan 0.000 0.413 147 N N 2.532 120.851 118.700 -0.635 0.000 2.294 147 N HA 0.106 4.879 4.740 0.056 0.000 0.248 147 N C -2.082 172.842 175.510 -0.976 0.000 1.300 147 N CA -1.291 50.918 53.050 -1.401 0.000 0.925 147 N CB -0.087 37.677 38.487 -1.206 0.000 1.188 147 N HN 0.081 nan 8.380 nan 0.000 0.512 148 P HA -0.073 nan 4.420 nan 0.000 0.226 148 P C 0.304 177.404 177.300 -0.332 0.000 1.153 148 P CA 1.213 63.983 63.100 -0.549 0.000 0.777 148 P CB -0.095 31.358 31.700 -0.411 0.000 0.794 149 E N -1.233 118.780 120.200 -0.312 0.000 2.479 149 E HA 0.227 4.611 4.350 0.056 0.000 0.193 149 E C 1.051 177.542 176.600 -0.182 0.000 1.049 149 E CA 0.457 56.737 56.400 -0.199 0.000 0.870 149 E CB -0.695 28.917 29.700 -0.145 0.000 0.944 149 E HN 0.103 nan 8.360 nan 0.000 0.492 150 G N 1.423 110.084 108.800 -0.231 0.000 2.157 150 G HA2 -0.262 3.731 3.960 0.056 0.000 0.239 150 G HA3 -0.262 3.731 3.960 0.056 0.000 0.239 150 G C 0.100 174.910 174.900 -0.151 0.000 0.982 150 G CA 0.043 45.035 45.100 -0.179 0.000 0.650 150 G HN 0.293 nan 8.290 nan 0.000 0.527 151 I N 2.514 122.983 120.570 -0.168 0.000 2.371 151 I HA 0.316 4.520 4.170 0.056 0.000 0.290 151 I C -1.790 174.253 176.117 -0.123 0.000 1.028 151 I CA -2.273 58.956 61.300 -0.119 0.000 1.345 151 I CB 1.282 39.224 38.000 -0.096 0.000 1.407 151 I HN -0.119 nan 8.210 nan 0.000 0.501 152 P HA 0.079 nan 4.420 nan 0.000 0.271 152 P C 0.208 177.473 177.300 -0.059 0.000 1.218 152 P CA -0.028 63.026 63.100 -0.077 0.000 0.780 152 P CB 1.294 32.967 31.700 -0.045 0.000 0.901 153 V N 1.527 121.389 119.914 -0.085 0.000 3.408 153 V HA 0.200 4.353 4.120 0.056 0.000 0.263 153 V C 0.373 176.417 176.094 -0.083 0.000 1.503 153 V CA 0.694 62.971 62.300 -0.037 0.000 1.046 153 V CB 0.175 32.027 31.823 0.048 0.000 0.851 153 V HN 0.474 nan 8.190 nan 0.000 0.435 154 K N 1.465 121.752 120.400 -0.188 0.000 2.535 154 K HA 0.537 4.890 4.320 0.056 0.000 0.251 154 K C -1.288 175.266 176.600 -0.077 0.000 0.942 154 K CA -0.430 55.777 56.287 -0.133 0.000 0.798 154 K CB 2.314 34.652 32.500 -0.269 0.000 1.267 154 K HN 0.263 nan 8.250 nan 0.000 0.434 155 Q N 2.308 122.096 119.800 -0.021 0.000 2.413 155 Q HA 0.519 4.892 4.340 0.056 0.000 0.276 155 Q C -1.509 174.489 176.000 -0.003 0.000 1.099 155 Q CA -0.539 55.256 55.803 -0.014 0.000 0.814 155 Q CB 2.350 31.081 28.738 -0.011 0.000 1.379 155 Q HN 0.406 nan 8.270 nan 0.000 0.436 156 D N 1.102 121.491 120.400 -0.019 0.000 2.753 156 D HA 0.417 5.091 4.640 0.056 0.000 0.224 156 D C -1.196 175.066 176.300 -0.064 0.000 1.213 156 D CA -0.585 53.396 54.000 -0.031 0.000 0.833 156 D CB 2.351 43.133 40.800 -0.030 0.000 1.607 156 D HN 0.606 nan 8.370 nan 0.000 0.463 157 S N 1.388 117.053 115.700 -0.059 0.000 2.640 157 S HA 0.608 5.112 4.470 0.056 0.000 0.320 157 S C -0.415 174.149 174.600 -0.060 0.000 1.097 157 S CA -0.638 57.519 58.200 -0.072 0.000 1.092 157 S CB 0.778 63.948 63.200 -0.050 0.000 0.988 157 S HN 0.234 nan 8.310 nan 0.000 0.470 158 L N 1.254 122.432 121.223 -0.074 0.000 2.371 158 L HA 0.734 5.108 4.340 0.056 0.000 0.262 158 L C 0.137 176.974 176.870 -0.054 0.000 1.006 158 L CA -0.668 54.133 54.840 -0.064 0.000 0.818 158 L CB 1.910 43.920 42.059 -0.082 0.000 1.354 158 L HN 0.526 nan 8.230 nan 0.000 0.415 159 S N -0.660 115.018 115.700 -0.037 0.000 2.578 159 S HA 0.447 4.951 4.470 0.056 0.000 0.283 159 S C 0.701 175.285 174.600 -0.028 0.000 1.195 159 S CA -0.077 58.111 58.200 -0.019 0.000 1.050 159 S CB 1.112 64.306 63.200 -0.009 0.000 1.012 159 S HN 0.744 nan 8.310 nan 0.000 0.511 160 S N 2.804 118.497 115.700 -0.013 0.000 2.557 160 S HA 0.176 4.680 4.470 0.056 0.000 0.223 160 S C 0.460 175.057 174.600 -0.004 0.000 0.969 160 S CA -0.340 57.850 58.200 -0.017 0.000 0.927 160 S CB -0.267 62.929 63.200 -0.007 0.000 0.806 160 S HN 0.777 nan 8.310 nan 0.000 0.489 161 Q N 2.702 122.502 119.800 0.000 0.000 2.398 161 Q HA -0.010 4.363 4.340 0.056 0.000 0.329 161 Q C -0.012 175.985 176.000 -0.005 0.000 1.079 161 Q CA 0.948 56.751 55.803 0.001 0.000 1.041 161 Q CB -0.247 28.491 28.738 -0.000 0.000 1.084 161 Q HN 0.434 nan 8.270 nan 0.000 0.386 162 N N 2.913 121.612 118.700 -0.002 0.000 2.741 162 N HA -0.219 4.554 4.740 0.056 0.000 0.251 162 N C -0.942 174.564 175.510 -0.008 0.000 1.112 162 N CA 1.402 54.449 53.050 -0.005 0.000 0.750 162 N CB -0.766 37.717 38.487 -0.007 0.000 1.119 162 N HN 0.779 nan 8.380 nan 0.000 0.561 163 Q N 0.315 120.110 119.800 -0.007 0.000 2.129 163 Q HA 0.223 4.596 4.340 0.056 0.000 0.274 163 Q C -0.033 175.966 176.000 -0.002 0.000 0.854 163 Q CA -0.676 55.120 55.803 -0.012 0.000 1.123 163 Q CB 0.607 29.328 28.738 -0.027 0.000 1.226 163 Q HN 0.109 nan 8.270 nan 0.000 0.454 164 L N 1.156 122.384 121.223 0.009 0.000 4.061 164 L HA -0.272 4.102 4.340 0.056 0.000 0.466 164 L C 1.008 177.909 176.870 0.053 0.000 1.140 164 L CA 1.866 56.724 54.840 0.029 0.000 0.764 164 L CB -2.463 39.614 42.059 0.030 0.000 1.688 164 L HN 0.738 nan 8.230 nan 0.000 0.855 165 G N -0.743 108.083 108.800 0.042 0.000 2.283 165 G HA2 -0.262 3.731 3.960 0.056 0.000 0.280 165 G HA3 -0.262 3.731 3.960 0.056 0.000 0.280 165 G C 0.270 175.184 174.900 0.023 0.000 1.029 165 G CA 0.381 45.515 45.100 0.057 0.000 0.840 165 G HN 0.520 nan 8.290 nan 0.000 0.505 166 V N 0.634 120.521 119.914 -0.045 0.000 2.407 166 V HA 0.587 4.741 4.120 0.056 0.000 0.291 166 V C -0.228 175.750 176.094 -0.194 0.000 1.018 166 V CA -1.080 61.116 62.300 -0.172 0.000 0.842 166 V CB 1.722 33.472 31.823 -0.121 0.000 0.996 166 V HN 0.180 nan 8.190 nan 0.000 0.426 167 L N 8.573 129.629 121.223 -0.279 0.000 2.294 167 L HA 0.633 5.006 4.340 0.056 0.000 0.283 167 L C -2.400 174.295 176.870 -0.290 0.000 1.015 167 L CA -2.141 52.556 54.840 -0.238 0.000 0.831 167 L CB 1.788 43.719 42.059 -0.213 0.000 1.217 167 L HN 0.436 nan 8.230 nan 0.000 0.420 168 P HA 0.567 nan 4.420 nan 0.000 0.301 168 P C -1.131 175.974 177.300 -0.325 0.000 1.337 168 P CA -0.499 62.440 63.100 -0.268 0.000 0.889 168 P CB 2.020 33.610 31.700 -0.183 0.000 1.050 169 L N 1.287 122.205 121.223 -0.509 0.000 2.403 169 L HA 0.772 5.145 4.340 0.056 0.000 0.253 169 L C -0.015 176.491 176.870 -0.606 0.000 1.045 169 L CA -0.881 53.561 54.840 -0.663 0.000 0.845 169 L CB 2.294 43.705 42.059 -1.081 0.000 1.447 169 L HN 0.476 nan 8.230 nan 0.000 0.411 170 S N -0.514 115.007 115.700 -0.299 0.000 2.533 170 S HA 0.633 5.137 4.470 0.056 0.000 0.271 170 S C -2.302 172.462 174.600 0.273 0.000 1.143 170 S CA -0.582 57.631 58.200 0.022 0.000 0.891 170 S CB 2.054 65.241 63.200 -0.021 0.000 1.105 170 S HN 0.616 nan 8.310 nan 0.000 0.468 171 W N 3.228 124.580 121.300 0.087 0.000 2.756 171 W HA 0.509 5.202 4.660 0.055 0.000 0.333 171 W C -1.786 174.679 176.519 -0.089 0.000 1.025 171 W CA -0.648 56.708 57.345 0.018 0.000 1.246 171 W CB 1.327 30.812 29.460 0.041 0.000 1.358 171 W HN 0.669 nan 8.180 nan 0.000 0.444 172 D N 6.269 126.372 120.400 -0.496 0.000 2.346 172 D HA 0.132 4.805 4.640 0.056 0.000 0.260 172 D C 0.498 176.088 176.300 -1.183 0.000 1.252 172 D CA 0.537 54.158 54.000 -0.632 0.000 0.895 172 D CB 0.699 41.295 40.800 -0.340 0.000 1.097 172 D HN 0.334 nan 8.370 nan 0.000 0.489 173 I N 4.625 124.506 120.570 -1.149 0.000 2.598 173 I HA 0.058 4.262 4.170 0.056 0.000 0.284 173 I C -1.832 173.912 176.117 -0.621 0.000 1.140 173 I CA -1.514 59.050 61.300 -1.227 0.000 1.420 173 I CB 0.223 37.716 38.000 -0.845 0.000 1.387 173 I HN 0.053 nan 8.210 nan 0.000 0.553 174 P HA 0.035 nan 4.420 nan 0.000 0.271 174 P C 0.380 177.596 177.300 -0.141 0.000 1.233 174 P CA -0.232 62.754 63.100 -0.190 0.000 0.789 174 P CB 0.654 32.328 31.700 -0.042 0.000 0.951 175 E N 0.214 120.361 120.200 -0.088 0.000 2.158 175 E HA -0.062 4.321 4.350 0.056 0.000 0.191 175 E C 0.718 177.306 176.600 -0.019 0.000 0.982 175 E CA 1.006 57.369 56.400 -0.062 0.000 0.823 175 E CB -0.145 29.524 29.700 -0.052 0.000 0.766 175 E HN 0.229 nan 8.360 nan 0.000 0.468 176 L N 1.511 122.737 121.223 0.006 0.000 2.990 176 L HA 0.174 4.547 4.340 0.056 0.000 0.231 176 L C -0.176 176.742 176.870 0.079 0.000 1.341 176 L CA -0.219 54.643 54.840 0.036 0.000 1.208 176 L CB 0.576 42.655 42.059 0.034 0.000 1.571 176 L HN -0.244 nan 8.230 nan 0.000 0.453 177 V N 0.102 120.075 119.914 0.097 0.000 3.193 177 V HA 0.488 4.641 4.120 0.056 0.000 0.320 177 V C -0.015 176.223 176.094 0.240 0.000 1.112 177 V CA -0.982 61.436 62.300 0.195 0.000 1.026 177 V CB 2.272 34.193 31.823 0.163 0.000 1.128 177 V HN 0.364 nan 8.190 nan 0.000 0.452 178 N N 3.131 122.061 118.700 0.384 0.000 2.434 178 N HA 0.340 5.114 4.740 0.056 0.000 0.272 178 N C -0.362 175.412 175.510 0.441 0.000 1.040 178 N CA -0.395 52.844 53.050 0.315 0.000 0.956 178 N CB 1.205 39.811 38.487 0.199 0.000 1.108 178 N HN 0.495 nan 8.380 nan 0.000 0.481 179 M N 0.998 120.767 119.600 0.282 0.000 2.228 179 M HA 0.407 4.921 4.480 0.056 0.000 0.326 179 M C 1.200 177.663 176.300 0.271 0.000 1.122 179 M CA -0.123 55.349 55.300 0.286 0.000 1.161 179 M CB 0.033 32.737 32.600 0.174 0.000 1.437 179 M HN 0.712 nan 8.290 nan 0.000 0.465 180 G N 1.128 110.097 108.800 0.281 0.000 2.278 180 G HA2 0.005 3.998 3.960 0.056 0.000 0.265 180 G HA3 0.005 3.998 3.960 0.056 0.000 0.265 180 G C -1.602 173.424 174.900 0.211 0.000 1.329 180 G CA -0.843 44.357 45.100 0.166 0.000 1.017 180 G HN 0.524 nan 8.290 nan 0.000 0.472 181 Q N -0.121 119.713 119.800 0.056 0.000 2.322 181 Q HA 0.460 4.834 4.340 0.056 0.000 0.256 181 Q C -0.964 174.948 176.000 -0.146 0.000 0.960 181 Q CA -0.012 55.792 55.803 0.001 0.000 0.934 181 Q CB 1.242 29.957 28.738 -0.038 0.000 1.200 181 Q HN 0.445 nan 8.270 nan 0.000 0.435 182 W N 2.076 123.077 121.300 -0.500 0.000 2.436 182 W HA 0.424 5.116 4.660 0.053 0.000 0.347 182 W C 0.359 176.487 176.519 -0.652 0.000 1.136 182 W CA -0.442 56.495 57.345 -0.679 0.000 1.286 182 W CB 1.003 29.800 29.460 -1.105 0.000 1.253 182 W HN 0.141 nan 8.180 nan 0.000 0.617 183 K N 2.207 122.476 120.400 -0.220 0.000 2.426 183 K HA 0.570 4.923 4.320 0.056 0.000 0.251 183 K C -1.184 175.420 176.600 0.008 0.000 0.941 183 K CA -0.976 55.256 56.287 -0.092 0.000 0.808 183 K CB 2.294 34.749 32.500 -0.074 0.000 1.265 183 K HN 0.402 nan 8.250 nan 0.000 0.432 184 I N 3.052 123.665 120.570 0.072 0.000 2.339 184 I HA 0.357 4.560 4.170 0.056 0.000 0.290 184 I C 0.101 176.252 176.117 0.057 0.000 0.994 184 I CA -0.695 60.622 61.300 0.029 0.000 1.191 184 I CB 1.126 39.113 38.000 -0.023 0.000 1.343 184 I HN 0.194 nan 8.210 nan 0.000 0.458 185 R N 5.418 125.946 120.500 0.048 0.000 2.637 185 R HA 0.910 5.283 4.340 0.056 0.000 0.291 185 R C -1.004 175.357 176.300 0.102 0.000 0.963 185 R CA -0.971 55.184 56.100 0.092 0.000 0.901 185 R CB 2.312 32.663 30.300 0.085 0.000 1.160 185 R HN 0.667 nan 8.270 nan 0.000 0.457 186 A N 2.251 125.164 122.820 0.156 0.000 2.515 186 A HA 0.725 5.078 4.320 0.056 0.000 0.298 186 A C -1.694 176.030 177.584 0.234 0.000 1.059 186 A CA -0.828 51.258 52.037 0.081 0.000 0.698 186 A CB 1.482 20.488 19.000 0.010 0.000 1.289 186 A HN 0.793 nan 8.150 nan 0.000 0.404 187 Y N -1.427 118.894 120.300 0.034 0.000 2.552 187 Y HA 0.694 5.276 4.550 0.055 0.000 0.337 187 Y C -1.233 174.653 175.900 -0.023 0.000 1.094 187 Y CA -1.650 56.490 58.100 0.066 0.000 1.028 187 Y CB 0.462 38.971 38.460 0.082 0.000 1.321 187 Y HN 0.600 nan 8.280 nan 0.000 0.456 188 Y N 2.084 122.533 120.300 0.248 0.000 2.610 188 Y HA 0.028 4.611 4.550 0.055 0.000 0.332 188 Y C 1.814 177.845 175.900 0.219 0.000 1.201 188 Y CA 0.640 58.820 58.100 0.134 0.000 1.465 188 Y CB 0.968 39.492 38.460 0.106 0.000 1.283 188 Y HN 0.938 nan 8.280 nan 0.000 0.563 189 E N 2.197 122.556 120.200 0.265 0.000 2.097 189 E HA -0.295 4.088 4.350 0.056 0.000 0.196 189 E C 1.074 177.808 176.600 0.224 0.000 1.000 189 E CA 2.097 58.633 56.400 0.227 0.000 0.804 189 E CB -0.044 29.727 29.700 0.118 0.000 0.740 189 E HN 0.829 nan 8.360 nan 0.000 0.454 190 N N -0.663 118.146 118.700 0.181 0.000 2.270 190 N HA -0.043 4.730 4.740 0.056 0.000 0.181 190 N C -0.088 175.491 175.510 0.114 0.000 1.016 190 N CA 0.855 53.974 53.050 0.114 0.000 0.870 190 N CB 0.278 38.800 38.487 0.057 0.000 0.979 190 N HN -0.069 nan 8.380 nan 0.000 0.431 191 S N 1.186 116.994 115.700 0.180 0.000 2.514 191 S HA 0.233 4.737 4.470 0.056 0.000 0.179 191 S C -2.250 172.445 174.600 0.159 0.000 1.409 191 S CA -1.066 57.224 58.200 0.151 0.000 1.138 191 S CB 1.049 64.353 63.200 0.174 0.000 1.217 191 S HN 0.160 nan 8.310 nan 0.000 0.493 192 P HA -0.057 nan 4.420 nan 0.000 0.245 192 P C 1.436 178.518 177.300 -0.363 0.000 1.212 192 P CA 0.398 63.352 63.100 -0.243 0.000 0.774 192 P CB 0.140 31.716 31.700 -0.207 0.000 0.999 193 Q N 0.435 120.142 119.800 -0.155 0.000 2.297 193 Q HA -0.059 4.314 4.340 0.056 0.000 0.203 193 Q C 0.679 176.595 176.000 -0.140 0.000 0.931 193 Q CA 0.706 56.422 55.803 -0.144 0.000 0.885 193 Q CB -0.505 28.182 28.738 -0.085 0.000 0.991 193 Q HN 0.397 nan 8.270 nan 0.000 0.498 194 Q N 1.003 120.743 119.800 -0.100 0.000 2.360 194 Q HA 0.571 4.944 4.340 0.056 0.000 0.254 194 Q C -1.144 174.689 176.000 -0.279 0.000 0.975 194 Q CA -0.552 55.130 55.803 -0.202 0.000 0.912 194 Q CB 1.842 30.455 28.738 -0.209 0.000 1.212 194 Q HN -0.064 nan 8.270 nan 0.000 0.452 195 V N 4.769 124.482 119.914 -0.335 0.000 2.398 195 V HA 0.438 4.592 4.120 0.056 0.000 0.286 195 V C -0.706 175.193 176.094 -0.326 0.000 1.026 195 V CA -0.610 61.587 62.300 -0.171 0.000 0.868 195 V CB 0.393 32.180 31.823 -0.060 0.000 0.982 195 V HN 0.662 nan 8.190 nan 0.000 0.443 196 F N 2.018 122.006 119.950 0.063 0.000 2.422 196 F HA 0.673 5.232 4.527 0.052 0.000 0.333 196 F C 0.745 176.575 175.800 0.049 0.000 1.095 196 F CA -0.176 57.849 58.000 0.040 0.000 1.038 196 F CB 1.838 40.835 39.000 -0.005 0.000 1.156 196 F HN 0.374 nan 8.300 nan 0.000 0.483 197 S N 0.731 116.561 115.700 0.217 0.000 2.568 197 S HA 0.742 5.245 4.470 0.056 0.000 0.293 197 S C -0.524 174.174 174.600 0.163 0.000 1.089 197 S CA -0.598 57.690 58.200 0.146 0.000 0.945 197 S CB 2.293 65.544 63.200 0.085 0.000 1.077 197 S HN 0.684 nan 8.310 nan 0.000 0.485 198 T N 0.957 115.601 114.554 0.150 0.000 2.838 198 T HA 0.600 4.984 4.350 0.056 0.000 0.292 198 T C -1.744 173.047 174.700 0.153 0.000 1.113 198 T CA -0.543 61.656 62.100 0.165 0.000 1.008 198 T CB 1.741 70.731 68.868 0.203 0.000 1.259 198 T HN 0.635 nan 8.240 nan 0.000 0.520 199 E N 0.259 120.565 120.200 0.177 0.000 2.343 199 E HA 0.670 5.053 4.350 0.056 0.000 0.270 199 E C -1.669 175.102 176.600 0.285 0.000 0.895 199 E CA -0.863 55.619 56.400 0.136 0.000 0.767 199 E CB 1.442 31.184 29.700 0.070 0.000 1.248 199 E HN 0.510 nan 8.360 nan 0.000 0.440 200 F N -0.115 119.951 119.950 0.192 0.000 2.631 200 F HA 0.527 5.086 4.527 0.054 0.000 0.308 200 F C -0.922 175.043 175.800 0.275 0.000 1.097 200 F CA -1.037 57.111 58.000 0.247 0.000 0.952 200 F CB 1.208 40.407 39.000 0.332 0.000 1.307 200 F HN 0.313 nan 8.300 nan 0.000 0.450 201 E N 1.708 122.144 120.200 0.392 0.000 2.231 201 E HA 0.622 5.006 4.350 0.056 0.000 0.277 201 E C -1.620 175.229 176.600 0.415 0.000 0.999 201 E CA -0.902 55.673 56.400 0.291 0.000 0.827 201 E CB 1.939 31.746 29.700 0.179 0.000 1.101 201 E HN 0.650 nan 8.360 nan 0.000 0.393 202 V N 4.828 124.946 119.914 0.339 0.000 2.417 202 V HA 0.478 4.631 4.120 0.056 0.000 0.291 202 V C -0.234 176.015 176.094 0.258 0.000 1.024 202 V CA -0.500 61.969 62.300 0.282 0.000 0.861 202 V CB 1.506 33.383 31.823 0.090 0.000 0.985 202 V HN 0.646 nan 8.190 nan 0.000 0.436 203 K N 2.839 123.399 120.400 0.266 0.000 2.568 203 K HA 0.453 4.806 4.320 0.056 0.000 0.273 203 K C -1.112 175.626 176.600 0.231 0.000 0.951 203 K CA -0.728 55.710 56.287 0.252 0.000 0.854 203 K CB 2.510 35.172 32.500 0.269 0.000 1.424 203 K HN 0.734 nan 8.250 nan 0.000 0.427 204 E N 2.610 122.894 120.200 0.140 0.000 2.229 204 E HA 0.243 4.626 4.350 0.056 0.000 0.283 204 E C -1.260 175.411 176.600 0.118 0.000 1.030 204 E CA -0.301 56.121 56.400 0.036 0.000 0.836 204 E CB 0.673 30.382 29.700 0.015 0.000 1.068 204 E HN 0.424 nan 8.360 nan 0.000 0.401 205 Y N -0.709 119.590 120.300 -0.002 0.000 2.677 205 Y HA 0.515 5.100 4.550 0.058 0.000 0.334 205 Y C -1.417 174.471 175.900 -0.019 0.000 1.196 205 Y CA -1.427 56.665 58.100 -0.012 0.000 1.059 205 Y CB 0.480 38.928 38.460 -0.020 0.000 1.315 205 Y HN 0.210 nan 8.280 nan 0.000 0.455 206 V N 0.368 120.390 119.914 0.179 0.000 2.815 206 V HA 0.636 4.790 4.120 0.056 0.000 0.314 206 V C -0.501 175.735 176.094 0.237 0.000 1.064 206 V CA -1.297 61.080 62.300 0.128 0.000 0.952 206 V CB 1.782 33.634 31.823 0.048 0.000 1.020 206 V HN 0.968 nan 8.190 nan 0.000 0.439 207 L N 4.739 126.067 121.223 0.175 0.000 2.410 207 L HA 0.365 4.738 4.340 0.056 0.000 0.273 207 L C -1.606 175.293 176.870 0.049 0.000 1.152 207 L CA -1.148 53.751 54.840 0.100 0.000 0.855 207 L CB 1.079 43.178 42.059 0.066 0.000 1.129 207 L HN 0.642 nan 8.230 nan 0.000 0.463 208 P HA 0.112 nan 4.420 nan 0.000 0.276 208 P C -0.059 177.254 177.300 0.022 0.000 1.261 208 P CA -0.463 62.608 63.100 -0.048 0.000 0.800 208 P CB 1.097 32.668 31.700 -0.214 0.000 1.066 209 S N -0.929 114.847 115.700 0.127 0.000 2.559 209 S HA 0.287 4.790 4.470 0.056 0.000 0.226 209 S C 0.314 175.142 174.600 0.379 0.000 1.000 209 S CA -0.503 57.874 58.200 0.294 0.000 0.948 209 S CB -0.767 62.682 63.200 0.415 0.000 0.870 209 S HN 0.535 nan 8.310 nan 0.000 0.497 210 F N 0.820 120.762 119.950 -0.013 0.000 2.664 210 F HA 0.858 5.419 4.527 0.056 0.000 0.317 210 F C -0.974 174.747 175.800 -0.132 0.000 1.108 210 F CA -1.237 56.656 58.000 -0.177 0.000 0.957 210 F CB 0.925 39.610 39.000 -0.525 0.000 1.365 210 F HN 0.116 nan 8.300 nan 0.000 0.475 211 E N 0.743 120.892 120.200 -0.084 0.000 2.221 211 E HA 0.718 5.101 4.350 0.056 0.000 0.268 211 E C -1.844 174.741 176.600 -0.025 0.000 0.933 211 E CA -1.211 55.111 56.400 -0.131 0.000 0.809 211 E CB 2.546 32.213 29.700 -0.056 0.000 1.190 211 E HN 0.532 nan 8.360 nan 0.000 0.406 212 V N 3.156 123.029 119.914 -0.067 0.000 2.444 212 V HA 0.324 4.478 4.120 0.056 0.000 0.294 212 V C -0.534 175.546 176.094 -0.024 0.000 1.022 212 V CA -0.849 61.444 62.300 -0.011 0.000 0.850 212 V CB 1.258 33.075 31.823 -0.009 0.000 0.992 212 V HN 0.658 nan 8.190 nan 0.000 0.426 213 I N 5.371 125.932 120.570 -0.015 0.000 2.354 213 I HA 0.467 4.670 4.170 0.056 0.000 0.292 213 I C -0.243 175.864 176.117 -0.018 0.000 0.989 213 I CA -0.661 60.629 61.300 -0.016 0.000 1.188 213 I CB 1.811 39.804 38.000 -0.012 0.000 1.342 213 I HN 0.250 nan 8.210 nan 0.000 0.457 214 V N 5.548 125.450 119.914 -0.020 0.000 2.326 214 V HA 0.353 4.507 4.120 0.056 0.000 0.281 214 V C -0.176 175.910 176.094 -0.014 0.000 1.015 214 V CA -0.506 61.779 62.300 -0.026 0.000 0.823 214 V CB 1.453 33.251 31.823 -0.042 0.000 1.009 214 V HN 0.695 nan 8.190 nan 0.000 0.436 215 E N 7.548 127.743 120.200 -0.008 0.000 2.235 215 E HA 0.493 4.876 4.350 0.056 0.000 0.252 215 E C -2.702 173.901 176.600 0.005 0.000 0.886 215 E CA -2.058 54.342 56.400 0.000 0.000 0.767 215 E CB 2.238 31.938 29.700 -0.001 0.000 1.205 215 E HN 0.392 nan 8.360 nan 0.000 0.421 216 P HA 0.013 nan 4.420 nan 0.000 0.271 216 P C 0.635 177.923 177.300 -0.020 0.000 1.218 216 P CA -0.093 63.011 63.100 0.007 0.000 0.780 216 P CB 1.137 32.844 31.700 0.011 0.000 0.901 217 T N -1.904 112.631 114.554 -0.031 0.000 3.055 217 T HA 0.030 4.414 4.350 0.056 0.000 0.265 217 T C 0.557 175.203 174.700 -0.090 0.000 1.111 217 T CA 0.799 62.873 62.100 -0.043 0.000 1.118 217 T CB -0.070 68.780 68.868 -0.031 0.000 0.909 217 T HN 0.335 nan 8.240 nan 0.000 0.501 218 E N 0.407 120.510 120.200 -0.162 0.000 2.312 218 E HA 0.389 4.772 4.350 0.056 0.000 0.267 218 E C -0.469 175.974 176.600 -0.262 0.000 0.894 218 E CA -0.679 55.525 56.400 -0.328 0.000 0.773 218 E CB 2.095 31.377 29.700 -0.696 0.000 1.241 218 E HN 0.171 nan 8.360 nan 0.000 0.432 219 K N 1.448 121.735 120.400 -0.188 0.000 2.596 219 K HA 0.196 4.550 4.320 0.056 0.000 0.211 219 K C -0.433 176.266 176.600 0.165 0.000 1.046 219 K CA 0.074 56.375 56.287 0.024 0.000 1.202 219 K CB -0.202 32.362 32.500 0.106 0.000 0.925 219 K HN 0.258 nan 8.250 nan 0.000 0.486 220 F N -3.112 116.867 119.950 0.048 0.000 2.741 220 F HA 0.383 4.937 4.527 0.043 0.000 0.313 220 F C -1.490 174.393 175.800 0.139 0.000 1.153 220 F CA -1.823 56.215 58.000 0.062 0.000 0.931 220 F CB 0.710 39.707 39.000 -0.005 0.000 1.335 220 F HN -0.200 nan 8.300 nan 0.000 0.460 221 Y N 2.118 122.550 120.300 0.220 0.000 2.326 221 Y HA 0.477 5.057 4.550 0.051 0.000 0.331 221 Y C -1.407 174.662 175.900 0.283 0.000 0.962 221 Y CA -1.866 56.316 58.100 0.136 0.000 1.167 221 Y CB 0.781 39.260 38.460 0.032 0.000 1.148 221 Y HN 0.708 nan 8.280 nan 0.000 0.463 222 Y N 7.711 127.723 120.300 -0.481 0.000 2.537 222 Y HA 0.137 4.720 4.550 0.054 0.000 0.339 222 Y C 0.988 176.288 175.900 -1.001 0.000 1.066 222 Y CA -0.568 57.240 58.100 -0.486 0.000 1.357 222 Y CB 0.523 38.892 38.460 -0.151 0.000 1.175 222 Y HN 0.835 nan 8.280 nan 0.000 0.525 223 I N 6.277 126.308 120.570 -0.897 0.000 2.530 223 I HA -0.288 3.916 4.170 0.056 0.000 0.257 223 I C 0.712 176.276 176.117 -0.922 0.000 1.179 223 I CA 1.586 62.365 61.300 -0.868 0.000 1.440 223 I CB -0.461 37.130 38.000 -0.683 0.000 1.087 223 I HN 0.677 nan 8.210 nan 0.000 0.440 224 Y N -1.118 118.541 120.300 -1.069 0.000 2.457 224 Y HA 0.270 4.854 4.550 0.058 0.000 0.263 224 Y C 0.940 176.546 175.900 -0.490 0.000 1.164 224 Y CA -0.819 56.839 58.100 -0.736 0.000 1.274 224 Y CB -0.877 37.136 38.460 -0.745 0.000 1.097 224 Y HN 0.120 nan 8.280 nan 0.000 0.523 225 N N 1.652 120.120 118.700 -0.387 0.000 2.405 225 N HA -0.061 4.713 4.740 0.056 0.000 0.260 225 N C 1.072 176.631 175.510 0.082 0.000 1.152 225 N CA 0.310 53.336 53.050 -0.041 0.000 0.948 225 N CB 0.852 39.359 38.487 0.033 0.000 1.111 225 N HN 0.093 nan 8.380 nan 0.000 0.485 226 E N 3.425 123.665 120.200 0.067 0.000 2.268 226 E HA -0.086 4.297 4.350 0.056 0.000 0.195 226 E C 0.798 177.430 176.600 0.053 0.000 0.995 226 E CA 1.365 57.798 56.400 0.055 0.000 0.836 226 E CB 0.140 29.861 29.700 0.035 0.000 0.763 226 E HN 0.610 nan 8.360 nan 0.000 0.491 227 K N -0.424 120.019 120.400 0.071 0.000 2.365 227 K HA 0.082 4.436 4.320 0.056 0.000 0.199 227 K C 0.970 177.584 176.600 0.022 0.000 1.045 227 K CA 0.404 56.717 56.287 0.045 0.000 0.962 227 K CB -0.143 32.388 32.500 0.051 0.000 0.759 227 K HN 0.275 nan 8.250 nan 0.000 0.469 228 G N 1.430 110.272 108.800 0.071 0.000 2.645 228 G HA2 -0.293 3.700 3.960 0.056 0.000 0.239 228 G HA3 -0.293 3.700 3.960 0.056 0.000 0.239 228 G C -1.009 173.814 174.900 -0.128 0.000 1.331 228 G CA -0.392 44.650 45.100 -0.098 0.000 0.890 228 G HN 0.193 nan 8.290 nan 0.000 0.572 229 L N 1.162 122.158 121.223 -0.377 0.000 2.264 229 L HA 0.610 4.984 4.340 0.056 0.000 0.287 229 L C 0.417 177.219 176.870 -0.114 0.000 1.039 229 L CA -0.344 54.363 54.840 -0.222 0.000 0.829 229 L CB 0.622 42.501 42.059 -0.299 0.000 1.211 229 L HN 0.549 nan 8.230 nan 0.000 0.427 230 E N 4.262 124.439 120.200 -0.037 0.000 2.223 230 E HA 0.403 4.786 4.350 0.056 0.000 0.282 230 E C -1.007 175.613 176.600 0.032 0.000 1.046 230 E CA -0.398 56.001 56.400 -0.003 0.000 0.857 230 E CB 1.643 31.338 29.700 -0.008 0.000 1.055 230 E HN 0.372 nan 8.360 nan 0.000 0.409 231 V N 2.741 122.699 119.914 0.072 0.000 2.656 231 V HA 0.337 4.490 4.120 0.056 0.000 0.307 231 V C 0.053 176.171 176.094 0.039 0.000 1.051 231 V CA -0.778 61.563 62.300 0.069 0.000 0.893 231 V CB 2.155 34.048 31.823 0.117 0.000 0.999 231 V HN 0.793 nan 8.190 nan 0.000 0.426 232 T N 3.615 118.178 114.554 0.015 0.000 2.855 232 T HA 0.785 5.168 4.350 0.056 0.000 0.281 232 T C -0.788 173.907 174.700 -0.009 0.000 1.007 232 T CA -0.442 61.659 62.100 0.003 0.000 1.009 232 T CB 1.081 69.948 68.868 -0.001 0.000 0.983 232 T HN 0.297 nan 8.240 nan 0.000 0.455 233 I N 4.048 124.608 120.570 -0.016 0.000 2.336 233 I HA 0.448 4.651 4.170 0.056 0.000 0.292 233 I C 0.804 176.906 176.117 -0.026 0.000 0.991 233 I CA -0.308 60.977 61.300 -0.025 0.000 1.227 233 I CB 2.020 40.000 38.000 -0.033 0.000 1.366 233 I HN 0.917 nan 8.210 nan 0.000 0.466 234 T N 2.777 117.318 114.554 -0.022 0.000 2.887 234 T HA 0.930 5.314 4.350 0.056 0.000 0.288 234 T C -0.667 174.019 174.700 -0.023 0.000 1.021 234 T CA -0.913 61.171 62.100 -0.026 0.000 1.000 234 T CB 1.957 70.814 68.868 -0.020 0.000 1.034 234 T HN 0.731 nan 8.240 nan 0.000 0.467 235 A N 2.832 125.625 122.820 -0.045 0.000 2.402 235 A HA 0.779 5.132 4.320 0.056 0.000 0.291 235 A C -0.407 177.103 177.584 -0.124 0.000 1.051 235 A CA -1.001 51.011 52.037 -0.041 0.000 0.716 235 A CB 1.189 20.142 19.000 -0.079 0.000 1.223 235 A HN 0.833 nan 8.150 nan 0.000 0.425 236 R N 1.312 121.756 120.500 -0.093 0.000 2.744 236 R HA 0.554 4.928 4.340 0.056 0.000 0.279 236 R C -1.283 174.908 176.300 -0.182 0.000 0.977 236 R CA -0.638 55.380 56.100 -0.137 0.000 0.906 236 R CB 1.821 32.093 30.300 -0.046 0.000 1.197 236 R HN 0.615 nan 8.270 nan 0.000 0.463 237 F N 1.341 121.184 119.950 -0.178 0.000 2.450 237 F HA 0.056 4.617 4.527 0.057 0.000 0.339 237 F C 1.961 177.525 175.800 -0.392 0.000 1.146 237 F CA -0.118 57.664 58.000 -0.363 0.000 1.267 237 F CB 0.562 39.012 39.000 -0.917 0.000 1.178 237 F HN 0.382 nan 8.300 nan 0.000 0.585 238 L N 1.502 122.673 121.223 -0.087 0.000 2.265 238 L HA -0.231 4.142 4.340 0.056 0.000 0.215 238 L C 1.312 178.197 176.870 0.026 0.000 1.117 238 L CA 0.992 55.830 54.840 -0.003 0.000 0.782 238 L CB -0.649 41.456 42.059 0.078 0.000 0.914 238 L HN 0.704 nan 8.230 nan 0.000 0.441 239 Y N -2.188 118.210 120.300 0.164 0.000 2.493 239 Y HA 0.582 5.166 4.550 0.057 0.000 0.275 239 Y C 1.380 177.342 175.900 0.104 0.000 1.183 239 Y CA -0.190 57.973 58.100 0.105 0.000 1.258 239 Y CB -0.296 38.203 38.460 0.065 0.000 1.108 239 Y HN 0.027 nan 8.280 nan 0.000 0.521 240 G N -0.288 108.530 108.800 0.030 0.000 2.352 240 G HA2 -0.194 3.799 3.960 0.056 0.000 0.204 240 G HA3 -0.194 3.799 3.960 0.056 0.000 0.204 240 G C 0.194 175.143 174.900 0.082 0.000 1.004 240 G CA -0.602 44.549 45.100 0.084 0.000 0.648 240 G HN 0.119 nan 8.290 nan 0.000 0.491 241 K N 1.479 121.943 120.400 0.106 0.000 2.185 241 K HA 0.452 4.806 4.320 0.056 0.000 0.271 241 K C 0.500 177.213 176.600 0.189 0.000 1.013 241 K CA -0.352 56.049 56.287 0.191 0.000 0.943 241 K CB 1.188 33.864 32.500 0.294 0.000 0.998 241 K HN 0.339 nan 8.250 nan 0.000 0.468 242 K N 0.702 121.177 120.400 0.126 0.000 2.355 242 K HA 0.143 4.497 4.320 0.056 0.000 0.270 242 K C -0.044 176.574 176.600 0.028 0.000 1.003 242 K CA -0.322 55.990 56.287 0.040 0.000 0.957 242 K CB 0.647 33.162 32.500 0.025 0.000 0.939 242 K HN 0.168 nan 8.250 nan 0.000 0.482 243 V N 3.003 122.811 119.914 -0.176 0.000 2.539 243 V HA 0.135 4.288 4.120 0.056 0.000 0.292 243 V C -0.217 175.748 176.094 -0.214 0.000 1.045 243 V CA -0.544 61.540 62.300 -0.361 0.000 0.945 243 V CB 1.595 32.962 31.823 -0.759 0.000 0.993 243 V HN 0.666 nan 8.190 nan 0.000 0.464 244 E N 2.990 123.081 120.200 -0.182 0.000 2.145 244 E HA 0.726 5.109 4.350 0.056 0.000 0.270 244 E C 0.170 176.477 176.600 -0.489 0.000 0.906 244 E CA -0.086 56.212 56.400 -0.169 0.000 0.761 244 E CB 1.955 31.690 29.700 0.057 0.000 1.116 244 E HN 0.914 nan 8.360 nan 0.000 0.408 245 G N 1.265 109.687 108.800 -0.629 0.000 2.435 245 G HA2 0.363 4.357 3.960 0.056 0.000 0.296 245 G HA3 0.363 4.357 3.960 0.056 0.000 0.296 245 G C -1.129 173.481 174.900 -0.483 0.000 1.240 245 G CA -0.460 44.106 45.100 -0.889 0.000 0.872 245 G HN 0.289 nan 8.290 nan 0.000 0.480 246 T N 0.283 114.647 114.554 -0.316 0.000 2.841 246 T HA 0.741 5.125 4.350 0.056 0.000 0.283 246 T C -0.263 174.289 174.700 -0.248 0.000 1.000 246 T CA 0.276 62.239 62.100 -0.229 0.000 0.977 246 T CB 1.579 70.336 68.868 -0.185 0.000 0.979 246 T HN 1.303 nan 8.240 nan 0.000 0.446 247 A N 2.500 125.143 122.820 -0.294 0.000 2.342 247 A HA 0.829 5.182 4.320 0.056 0.000 0.323 247 A C -1.153 176.193 177.584 -0.397 0.000 1.125 247 A CA -0.655 51.246 52.037 -0.227 0.000 0.785 247 A CB 0.478 19.409 19.000 -0.115 0.000 1.221 247 A HN 0.732 nan 8.150 nan 0.000 0.463 248 F N 2.043 121.987 119.950 -0.009 0.000 2.385 248 F HA 0.509 5.068 4.527 0.054 0.000 0.360 248 F C 0.093 175.871 175.800 -0.035 0.000 1.122 248 F CA -0.433 57.561 58.000 -0.009 0.000 1.090 248 F CB 1.893 40.892 39.000 -0.001 0.000 1.150 248 F HN 0.252 nan 8.300 nan 0.000 0.472 249 V N 5.542 125.512 119.914 0.092 0.000 2.495 249 V HA 0.523 4.677 4.120 0.056 0.000 0.298 249 V C -0.380 175.695 176.094 -0.031 0.000 1.031 249 V CA -0.889 61.387 62.300 -0.041 0.000 0.871 249 V CB 2.170 33.922 31.823 -0.118 0.000 0.988 249 V HN 0.712 nan 8.190 nan 0.000 0.432 250 I N 3.533 124.015 120.570 -0.147 0.000 2.769 250 I HA 0.635 4.838 4.170 0.056 0.000 0.298 250 I C -1.523 174.427 176.117 -0.278 0.000 1.128 250 I CA -0.596 60.670 61.300 -0.057 0.000 1.031 250 I CB 2.329 40.350 38.000 0.036 0.000 1.235 250 I HN 0.511 nan 8.210 nan 0.000 0.423 251 F N 3.701 123.568 119.950 -0.138 0.000 2.523 251 F HA 0.850 5.409 4.527 0.053 0.000 0.329 251 F C 0.671 176.194 175.800 -0.463 0.000 1.061 251 F CA -0.489 57.336 58.000 -0.291 0.000 0.967 251 F CB 2.091 40.950 39.000 -0.236 0.000 1.218 251 F HN 0.419 nan 8.300 nan 0.000 0.480 252 G N 0.607 108.968 108.800 -0.732 0.000 2.682 252 G HA2 0.725 4.719 3.960 0.056 0.000 0.290 252 G HA3 0.725 4.719 3.960 0.056 0.000 0.290 252 G C -1.953 172.580 174.900 -0.610 0.000 1.425 252 G CA -0.780 43.798 45.100 -0.870 0.000 0.807 252 G HN 0.525 nan 8.290 nan 0.000 0.482 253 I N 0.100 120.587 120.570 -0.139 0.000 2.509 253 I HA 0.418 4.621 4.170 0.056 0.000 0.293 253 I C -0.326 175.926 176.117 0.226 0.000 1.020 253 I CA -0.612 60.714 61.300 0.043 0.000 1.088 253 I CB 2.396 40.410 38.000 0.024 0.000 1.267 253 I HN 0.363 nan 8.210 nan 0.000 0.430 254 Q N 4.247 124.183 119.800 0.227 0.000 2.333 254 Q HA 0.288 4.661 4.340 0.056 0.000 0.265 254 Q C -1.495 174.570 176.000 0.108 0.000 0.989 254 Q CA -0.598 55.318 55.803 0.188 0.000 0.842 254 Q CB 1.776 30.626 28.738 0.187 0.000 1.262 254 Q HN 0.530 nan 8.270 nan 0.000 0.451 255 D N 2.870 123.318 120.400 0.081 0.000 2.438 255 D HA 0.295 4.969 4.640 0.056 0.000 0.257 255 D C -0.003 176.322 176.300 0.042 0.000 1.148 255 D CA 0.092 54.125 54.000 0.055 0.000 0.902 255 D CB 0.514 41.342 40.800 0.047 0.000 1.062 255 D HN 0.790 nan 8.370 nan 0.000 0.518 256 G N 3.553 112.376 108.800 0.039 0.000 2.369 256 G HA2 -0.295 3.698 3.960 0.056 0.000 0.286 256 G HA3 -0.295 3.698 3.960 0.056 0.000 0.286 256 G C 0.676 175.589 174.900 0.021 0.000 0.938 256 G CA 1.122 46.239 45.100 0.029 0.000 1.271 256 G HN 0.697 nan 8.290 nan 0.000 0.488 257 E N -2.359 117.852 120.200 0.018 0.000 4.287 257 E HA -0.208 4.176 4.350 0.056 0.000 0.324 257 E C 0.940 177.542 176.600 0.004 0.000 0.615 257 E CA 1.325 57.728 56.400 0.005 0.000 1.912 257 E CB -0.956 28.746 29.700 0.003 0.000 1.832 257 E HN 0.765 nan 8.360 nan 0.000 0.494 258 Q N 1.329 121.140 119.800 0.019 0.000 2.288 258 Q HA 0.305 4.678 4.340 0.056 0.000 0.254 258 Q C -0.689 175.341 176.000 0.049 0.000 0.932 258 Q CA 0.065 55.884 55.803 0.026 0.000 0.902 258 Q CB 0.743 29.499 28.738 0.031 0.000 1.203 258 Q HN 0.061 nan 8.270 nan 0.000 0.415 259 R N 3.972 124.503 120.500 0.052 0.000 2.437 259 R HA 0.481 4.854 4.340 0.056 0.000 0.310 259 R C -0.790 175.603 176.300 0.154 0.000 0.955 259 R CA -0.653 55.519 56.100 0.121 0.000 0.851 259 R CB 1.215 31.515 30.300 -0.001 0.000 1.161 259 R HN 0.583 nan 8.270 nan 0.000 0.446 260 I N 2.165 122.856 120.570 0.201 0.000 2.382 260 I HA 0.145 4.348 4.170 0.056 0.000 0.285 260 I C 0.535 176.733 176.117 0.135 0.000 1.007 260 I CA -0.333 61.044 61.300 0.128 0.000 1.142 260 I CB 1.478 39.524 38.000 0.076 0.000 1.289 260 I HN 0.500 nan 8.210 nan 0.000 0.453 261 S N 6.291 122.072 115.700 0.133 0.000 2.579 261 S HA 0.417 4.920 4.470 0.056 0.000 0.275 261 S C -0.009 174.610 174.600 0.031 0.000 1.345 261 S CA -0.196 58.064 58.200 0.100 0.000 1.031 261 S CB 0.409 63.673 63.200 0.106 0.000 0.892 261 S HN 0.449 nan 8.310 nan 0.000 0.529 262 L N 6.487 127.712 121.223 0.005 0.000 2.435 262 L HA 0.332 4.705 4.340 0.056 0.000 0.253 262 L C -1.469 175.417 176.870 0.026 0.000 1.087 262 L CA -1.553 53.288 54.840 0.002 0.000 0.950 262 L CB 1.399 43.442 42.059 -0.027 0.000 1.304 262 L HN 0.554 nan 8.230 nan 0.000 0.453 263 P HA -0.169 nan 4.420 nan 0.000 0.219 263 P C 0.776 178.097 177.300 0.034 0.000 1.146 263 P CA 1.138 64.258 63.100 0.034 0.000 0.808 263 P CB 0.450 32.166 31.700 0.025 0.000 0.779 264 E N -0.031 120.180 120.200 0.019 0.000 2.511 264 E HA -0.025 4.358 4.350 0.056 0.000 0.196 264 E C 1.786 178.394 176.600 0.013 0.000 1.066 264 E CA 0.625 57.032 56.400 0.011 0.000 0.871 264 E CB -0.305 29.391 29.700 -0.007 0.000 0.863 264 E HN 0.370 nan 8.360 nan 0.000 0.520 265 S N 0.126 115.849 115.700 0.038 0.000 2.575 265 S HA 0.018 4.522 4.470 0.056 0.000 0.215 265 S C 0.882 175.586 174.600 0.172 0.000 0.966 265 S CA -0.466 57.779 58.200 0.074 0.000 0.911 265 S CB -0.180 63.090 63.200 0.117 0.000 0.780 265 S HN 0.117 nan 8.310 nan 0.000 0.514 266 L N 3.594 124.892 121.223 0.126 0.000 2.597 266 L HA 0.341 4.714 4.340 0.056 0.000 0.271 266 L C -0.498 176.451 176.870 0.131 0.000 1.157 266 L CA 0.566 55.487 54.840 0.135 0.000 0.928 266 L CB -0.093 42.031 42.059 0.108 0.000 1.216 266 L HN 0.081 nan 8.230 nan 0.000 0.481 267 K N 5.806 126.291 120.400 0.142 0.000 2.318 267 K HA 0.455 4.808 4.320 0.056 0.000 0.249 267 K C -0.882 175.751 176.600 0.055 0.000 0.942 267 K CA -0.818 55.526 56.287 0.095 0.000 0.808 267 K CB 2.457 35.012 32.500 0.092 0.000 1.189 267 K HN 0.560 nan 8.250 nan 0.000 0.428 268 R N 3.371 123.863 120.500 -0.015 0.000 2.360 268 R HA 0.431 4.804 4.340 0.056 0.000 0.318 268 R C -0.605 175.595 176.300 -0.166 0.000 0.950 268 R CA -0.450 55.529 56.100 -0.201 0.000 0.837 268 R CB 0.419 30.585 30.300 -0.222 0.000 1.165 268 R HN 0.752 nan 8.270 nan 0.000 0.458 269 I N 1.230 121.683 120.570 -0.196 0.000 2.730 269 I HA 0.665 4.868 4.170 0.056 0.000 0.298 269 I C -2.749 173.292 176.117 -0.128 0.000 1.089 269 I CA -3.179 58.051 61.300 -0.118 0.000 1.041 269 I CB 2.593 40.551 38.000 -0.070 0.000 1.235 269 I HN 0.400 nan 8.210 nan 0.000 0.423 270 P HA 0.295 nan 4.420 nan 0.000 0.276 270 P C -0.879 176.383 177.300 -0.064 0.000 1.230 270 P CA -0.151 62.918 63.100 -0.052 0.000 0.776 270 P CB 0.632 32.325 31.700 -0.011 0.000 0.888 271 I N 3.324 123.840 120.570 -0.091 0.000 2.291 271 I HA 0.253 4.456 4.170 0.056 0.000 0.290 271 I C 0.579 176.651 176.117 -0.074 0.000 1.050 271 I CA -0.202 61.037 61.300 -0.102 0.000 1.245 271 I CB -0.289 37.616 38.000 -0.158 0.000 1.405 271 I HN 0.320 nan 8.210 nan 0.000 0.478 272 E N 4.802 124.978 120.200 -0.041 0.000 2.185 272 E HA 0.220 4.603 4.350 0.056 0.000 0.261 272 E C -0.577 176.012 176.600 -0.017 0.000 0.879 272 E CA -0.399 55.993 56.400 -0.014 0.000 0.756 272 E CB 1.256 30.956 29.700 0.000 0.000 1.152 272 E HN 0.414 nan 8.360 nan 0.000 0.416 273 D N 2.542 122.936 120.400 -0.011 0.000 2.907 273 D HA -0.167 4.506 4.640 0.056 0.000 0.226 273 D C 0.680 176.967 176.300 -0.021 0.000 1.141 273 D CA 1.630 55.627 54.000 -0.005 0.000 0.779 273 D CB -1.140 39.661 40.800 0.002 0.000 1.095 273 D HN 0.943 nan 8.370 nan 0.000 0.430 274 G N -1.526 107.244 108.800 -0.051 0.000 2.155 274 G HA2 -0.241 3.753 3.960 0.056 0.000 0.257 274 G HA3 -0.241 3.753 3.960 0.056 0.000 0.257 274 G C 0.270 175.133 174.900 -0.061 0.000 0.983 274 G CA 0.849 45.903 45.100 -0.077 0.000 0.676 274 G HN 0.925 nan 8.290 nan 0.000 0.528 275 S N -1.238 114.432 115.700 -0.049 0.000 2.546 275 S HA 0.844 5.348 4.470 0.056 0.000 0.274 275 S C 0.089 174.667 174.600 -0.038 0.000 1.121 275 S CA 0.358 58.536 58.200 -0.037 0.000 0.887 275 S CB 1.940 65.127 63.200 -0.022 0.000 1.094 275 S HN 1.659 nan 8.310 nan 0.000 0.474 276 G N 1.675 110.455 108.800 -0.033 0.000 2.704 276 G HA2 0.644 4.638 3.960 0.056 0.000 0.293 276 G HA3 0.644 4.638 3.960 0.056 0.000 0.293 276 G C -2.044 172.845 174.900 -0.018 0.000 1.421 276 G CA -0.518 44.564 45.100 -0.031 0.000 0.870 276 G HN 0.504 nan 8.290 nan 0.000 0.492 277 E N -1.047 119.146 120.200 -0.010 0.000 2.256 277 E HA 0.741 5.125 4.350 0.056 0.000 0.267 277 E C -1.052 175.558 176.600 0.017 0.000 0.892 277 E CA -0.635 55.768 56.400 0.004 0.000 0.775 277 E CB 2.943 32.645 29.700 0.003 0.000 1.207 277 E HN 0.523 nan 8.360 nan 0.000 0.420 278 V N 2.338 122.280 119.914 0.046 0.000 3.048 278 V HA 0.598 4.751 4.120 0.056 0.000 0.303 278 V C -1.647 174.510 176.094 0.105 0.000 1.214 278 V CA -0.595 61.758 62.300 0.088 0.000 0.984 278 V CB 2.203 34.107 31.823 0.134 0.000 1.054 278 V HN 0.454 nan 8.190 nan 0.000 0.430 279 V N 5.684 125.625 119.914 0.044 0.000 2.735 279 V HA 0.558 4.711 4.120 0.056 0.000 0.310 279 V C -0.618 175.291 176.094 -0.308 0.000 1.061 279 V CA -0.763 61.489 62.300 -0.080 0.000 0.913 279 V CB 1.773 33.541 31.823 -0.091 0.000 1.005 279 V HN 0.795 nan 8.190 nan 0.000 0.428 280 L N 4.564 125.374 121.223 -0.688 0.000 2.255 280 L HA 0.581 4.954 4.340 0.056 0.000 0.289 280 L C 0.615 177.173 176.870 -0.519 0.000 1.046 280 L CA 0.382 54.660 54.840 -0.937 0.000 0.816 280 L CB 1.256 42.366 42.059 -1.582 0.000 1.197 280 L HN 0.848 nan 8.230 nan 0.000 0.427 281 S N 4.324 119.815 115.700 -0.348 0.000 2.576 281 S HA 0.204 4.708 4.470 0.056 0.000 0.276 281 S C 1.257 175.720 174.600 -0.228 0.000 1.339 281 S CA -0.123 57.942 58.200 -0.224 0.000 1.039 281 S CB 0.784 63.897 63.200 -0.145 0.000 0.902 281 S HN 0.879 nan 8.310 nan 0.000 0.516 282 R N 1.793 122.204 120.500 -0.149 0.000 2.105 282 R HA -0.130 4.243 4.340 0.056 0.000 0.239 282 R C 2.254 178.507 176.300 -0.079 0.000 1.135 282 R CA 1.745 57.790 56.100 -0.092 0.000 0.967 282 R CB -0.278 30.030 30.300 0.014 0.000 0.861 282 R HN 0.837 nan 8.270 nan 0.000 0.442 283 K N -0.048 120.309 120.400 -0.072 0.000 2.001 283 K HA -0.098 4.255 4.320 0.056 0.000 0.208 283 K C 1.926 178.484 176.600 -0.070 0.000 1.048 283 K CA 1.563 57.816 56.287 -0.056 0.000 0.932 283 K CB -0.014 32.459 32.500 -0.045 0.000 0.715 283 K HN 0.064 nan 8.250 nan 0.000 0.437 284 V N 2.057 121.913 119.914 -0.097 0.000 2.287 284 V HA -0.277 3.876 4.120 0.056 0.000 0.248 284 V C 2.381 178.407 176.094 -0.113 0.000 1.053 284 V CA 1.700 63.938 62.300 -0.102 0.000 1.027 284 V CB -0.496 31.249 31.823 -0.130 0.000 0.646 284 V HN 0.371 nan 8.190 nan 0.000 0.447 285 L N -0.226 120.902 121.223 -0.157 0.000 2.012 285 L HA -0.174 4.200 4.340 0.056 0.000 0.210 285 L C 2.188 179.007 176.870 -0.085 0.000 1.073 285 L CA 2.029 56.778 54.840 -0.152 0.000 0.748 285 L CB -0.574 41.350 42.059 -0.226 0.000 0.891 285 L HN 0.215 nan 8.230 nan 0.000 0.431 286 L N -0.806 120.379 121.223 -0.064 0.000 2.156 286 L HA -0.148 4.226 4.340 0.056 0.000 0.208 286 L C 1.920 178.773 176.870 -0.029 0.000 1.095 286 L CA 1.146 55.966 54.840 -0.034 0.000 0.770 286 L CB -0.721 41.325 42.059 -0.021 0.000 0.914 286 L HN 0.272 nan 8.230 nan 0.000 0.439 287 D N -0.052 120.328 120.400 -0.034 0.000 2.317 287 D HA -0.071 4.603 4.640 0.056 0.000 0.211 287 D C 2.103 178.389 176.300 -0.024 0.000 0.966 287 D CA 0.994 54.979 54.000 -0.026 0.000 0.876 287 D CB -0.055 40.729 40.800 -0.027 0.000 0.927 287 D HN 0.257 nan 8.370 nan 0.000 0.519 288 G N 0.096 108.877 108.800 -0.032 0.000 2.430 288 G HA2 -0.135 3.859 3.960 0.056 0.000 0.216 288 G HA3 -0.135 3.859 3.960 0.056 0.000 0.216 288 G C 1.567 176.458 174.900 -0.015 0.000 1.146 288 G CA 0.237 45.322 45.100 -0.025 0.000 0.793 288 G HN 0.281 nan 8.290 nan 0.000 0.537 289 V N -0.577 119.327 119.914 -0.015 0.000 2.725 289 V HA 0.113 4.266 4.120 0.056 0.000 0.247 289 V C 0.714 176.806 176.094 -0.002 0.000 1.058 289 V CA 0.357 62.654 62.300 -0.006 0.000 1.080 289 V CB -0.340 31.480 31.823 -0.005 0.000 0.713 289 V HN 0.346 nan 8.190 nan 0.000 0.465 290 Q N 2.010 121.807 119.800 -0.005 0.000 3.199 290 Q HA -0.234 4.139 4.340 0.056 0.000 0.091 290 Q C -0.064 175.937 176.000 0.001 0.000 1.701 290 Q CA 1.950 57.751 55.803 -0.003 0.000 0.267 290 Q CB -0.992 27.745 28.738 -0.003 0.000 0.671 290 Q HN 1.036 nan 8.270 nan 0.000 0.350 291 N N 1.627 120.328 118.700 0.002 0.000 7.945 291 N HA -0.092 4.681 4.740 0.056 0.000 0.100 291 N C -0.361 175.151 175.510 0.003 0.000 0.919 291 N CA 0.202 53.254 53.050 0.003 0.000 1.354 291 N CB -0.861 37.628 38.487 0.004 0.000 1.199 291 N HN 0.238 nan 8.380 nan 0.000 1.378 292 L N 1.833 123.059 121.223 0.004 0.000 1.976 292 L HA -0.087 4.287 4.340 0.056 0.000 0.223 292 L C 1.481 178.356 176.870 0.008 0.000 1.081 292 L CA 1.901 56.745 54.840 0.006 0.000 0.784 292 L CB -0.525 41.538 42.059 0.007 0.000 0.896 292 L HN 0.616 nan 8.230 nan 0.000 0.438 293 R N -0.361 120.145 120.500 0.010 0.000 2.421 293 R HA 0.088 4.462 4.340 0.056 0.000 0.305 293 R C 1.235 177.539 176.300 0.006 0.000 1.039 293 R CA 0.381 56.489 56.100 0.014 0.000 1.003 293 R CB 0.559 30.869 30.300 0.016 0.000 0.959 293 R HN 0.341 nan 8.270 nan 0.000 0.427 294 A N 4.032 126.856 122.820 0.007 0.000 1.969 294 A HA -0.153 4.200 4.320 0.056 0.000 0.218 294 A C 1.545 179.097 177.584 -0.053 0.000 1.169 294 A CA 1.202 53.227 52.037 -0.020 0.000 0.635 294 A CB -0.015 18.973 19.000 -0.021 0.000 0.810 294 A HN 0.732 nan 8.150 nan 0.000 0.445 295 E N 0.456 120.633 120.200 -0.038 0.000 2.347 295 E HA -0.088 4.296 4.350 0.056 0.000 0.196 295 E C 0.960 177.542 176.600 -0.029 0.000 1.008 295 E CA 0.863 57.231 56.400 -0.053 0.000 0.852 295 E CB -0.121 29.580 29.700 0.002 0.000 0.783 295 E HN 0.505 nan 8.360 nan 0.000 0.505 296 D N -0.178 120.215 120.400 -0.012 0.000 2.264 296 D HA -0.091 4.582 4.640 0.056 0.000 0.208 296 D C 1.334 177.632 176.300 -0.003 0.000 0.966 296 D CA 0.414 54.412 54.000 -0.003 0.000 0.864 296 D CB 0.070 40.872 40.800 0.004 0.000 0.933 296 D HN 0.114 nan 8.370 nan 0.000 0.499 297 L N 0.460 121.677 121.223 -0.011 0.000 2.275 297 L HA -0.023 4.350 4.340 0.056 0.000 0.215 297 L C 0.544 177.414 176.870 0.000 0.000 1.119 297 L CA 0.602 55.442 54.840 -0.000 0.000 0.790 297 L CB -0.303 41.757 42.059 0.001 0.000 0.919 297 L HN -0.187 nan 8.230 nan 0.000 0.443 298 V N 0.162 120.061 119.914 -0.024 0.000 2.521 298 V HA 0.403 4.557 4.120 0.056 0.000 0.286 298 V C 1.349 177.443 176.094 -0.000 0.000 1.034 298 V CA 0.827 63.113 62.300 -0.024 0.000 1.045 298 V CB 0.379 32.170 31.823 -0.054 0.000 0.974 298 V HN 0.631 nan 8.190 nan 0.000 0.480 299 G N 4.388 113.195 108.800 0.012 0.000 2.218 299 G HA2 -0.182 3.812 3.960 0.056 0.000 0.216 299 G HA3 -0.182 3.812 3.960 0.056 0.000 0.216 299 G C 0.264 175.185 174.900 0.035 0.000 0.994 299 G CA 0.046 45.158 45.100 0.020 0.000 0.637 299 G HN 0.588 nan 8.290 nan 0.000 0.505 300 K N 0.450 120.875 120.400 0.042 0.000 2.209 300 K HA 0.737 5.091 4.320 0.056 0.000 0.238 300 K C 0.441 177.087 176.600 0.077 0.000 1.028 300 K CA 0.099 56.420 56.287 0.057 0.000 0.935 300 K CB 1.328 33.859 32.500 0.053 0.000 1.162 300 K HN 0.523 nan 8.250 nan 0.000 0.485 301 S N -0.174 115.582 115.700 0.093 0.000 2.627 301 S HA 0.542 5.046 4.470 0.056 0.000 0.283 301 S C -1.381 173.294 174.600 0.125 0.000 1.127 301 S CA -0.985 57.284 58.200 0.115 0.000 0.863 301 S CB 0.952 64.222 63.200 0.117 0.000 1.121 301 S HN 0.199 nan 8.310 nan 0.000 0.479 302 L N 2.496 123.791 121.223 0.121 0.000 2.317 302 L HA 0.597 4.970 4.340 0.056 0.000 0.281 302 L C -0.514 176.442 176.870 0.143 0.000 1.024 302 L CA -0.765 54.121 54.840 0.078 0.000 0.810 302 L CB 0.885 42.975 42.059 0.052 0.000 1.240 302 L HN 0.923 nan 8.230 nan 0.000 0.427 303 Y N 1.384 121.724 120.300 0.066 0.000 2.528 303 Y HA 0.806 5.387 4.550 0.051 0.000 0.335 303 Y C -0.631 175.260 175.900 -0.015 0.000 1.093 303 Y CA -1.540 56.575 58.100 0.025 0.000 1.134 303 Y CB 1.590 40.054 38.460 0.006 0.000 1.253 303 Y HN 0.230 nan 8.280 nan 0.000 0.478 304 V N 2.663 122.590 119.914 0.021 0.000 2.482 304 V HA 0.526 4.679 4.120 0.056 0.000 0.295 304 V C -1.096 174.917 176.094 -0.135 0.000 1.026 304 V CA -0.286 61.846 62.300 -0.280 0.000 0.856 304 V CB 1.253 32.801 31.823 -0.457 0.000 1.001 304 V HN 1.031 nan 8.190 nan 0.000 0.424 305 S N 6.302 121.928 115.700 -0.123 0.000 2.442 305 S HA 0.865 5.369 4.470 0.056 0.000 0.297 305 S C -0.169 174.376 174.600 -0.092 0.000 1.131 305 S CA 0.163 58.337 58.200 -0.044 0.000 1.092 305 S CB 1.180 64.408 63.200 0.047 0.000 0.998 305 S HN 1.716 nan 8.310 nan 0.000 0.478 306 A N 4.252 127.037 122.820 -0.059 0.000 2.318 306 A HA 0.701 5.055 4.320 0.056 0.000 0.317 306 A C -0.152 177.447 177.584 0.024 0.000 1.159 306 A CA -0.694 51.327 52.037 -0.026 0.000 0.799 306 A CB 1.168 20.141 19.000 -0.047 0.000 1.194 306 A HN 0.745 nan 8.150 nan 0.000 0.479 307 T N 2.232 116.840 114.554 0.090 0.000 2.770 307 T HA 0.511 4.894 4.350 0.056 0.000 0.283 307 T C -0.341 174.464 174.700 0.175 0.000 0.988 307 T CA -0.296 61.883 62.100 0.132 0.000 0.957 307 T CB 1.020 69.987 68.868 0.165 0.000 0.930 307 T HN 0.426 nan 8.240 nan 0.000 0.443 308 V N 5.187 125.195 119.914 0.157 0.000 2.435 308 V HA 0.532 4.686 4.120 0.056 0.000 0.290 308 V C -0.119 176.104 176.094 0.214 0.000 1.030 308 V CA -0.845 61.548 62.300 0.155 0.000 0.881 308 V CB 1.366 33.295 31.823 0.177 0.000 0.983 308 V HN 0.799 nan 8.190 nan 0.000 0.445 309 I N 5.156 125.786 120.570 0.100 0.000 2.406 309 I HA 0.408 4.612 4.170 0.056 0.000 0.290 309 I C -0.168 175.898 176.117 -0.085 0.000 0.999 309 I CA -0.565 60.791 61.300 0.093 0.000 1.124 309 I CB 1.803 39.897 38.000 0.156 0.000 1.289 309 I HN 0.373 nan 8.210 nan 0.000 0.441 310 L N 4.992 126.150 121.223 -0.107 0.000 2.467 310 L HA 0.088 4.461 4.340 0.056 0.000 0.270 310 L C 1.557 178.370 176.870 -0.095 0.000 1.205 310 L CA -0.370 54.339 54.840 -0.218 0.000 0.828 310 L CB 0.297 42.272 42.059 -0.141 0.000 1.101 310 L HN 0.628 nan 8.230 nan 0.000 0.479 311 H N 0.420 119.476 119.070 -0.024 0.000 2.491 311 H HA -0.105 4.485 4.556 0.056 0.000 0.290 311 H C 2.238 177.580 175.328 0.023 0.000 1.050 311 H CA 1.435 57.484 56.048 0.001 0.000 1.309 311 H CB -0.003 29.756 29.762 -0.005 0.000 1.392 311 H HN 0.743 nan 8.280 nan 0.000 0.554 312 S N -0.452 115.329 115.700 0.136 0.000 2.447 312 S HA -0.015 4.488 4.470 0.056 0.000 0.233 312 S C 2.001 176.658 174.600 0.094 0.000 1.006 312 S CA 0.868 59.130 58.200 0.105 0.000 0.957 312 S CB -0.391 62.870 63.200 0.102 0.000 0.773 312 S HN 0.580 nan 8.310 nan 0.000 0.507 313 G N 0.408 109.264 108.800 0.094 0.000 2.187 313 G HA2 -0.296 3.698 3.960 0.056 0.000 0.261 313 G HA3 -0.296 3.698 3.960 0.056 0.000 0.261 313 G C 0.808 175.766 174.900 0.096 0.000 1.000 313 G CA 0.647 45.804 45.100 0.094 0.000 0.718 313 G HN 0.652 nan 8.290 nan 0.000 0.519 314 S N -0.833 114.931 115.700 0.106 0.000 2.486 314 S HA 0.269 4.772 4.470 0.056 0.000 0.220 314 S C 0.558 175.242 174.600 0.140 0.000 1.011 314 S CA 0.789 59.056 58.200 0.111 0.000 0.921 314 S CB 0.442 63.707 63.200 0.108 0.000 0.785 314 S HN 0.639 nan 8.310 nan 0.000 0.517 315 D N -0.249 120.263 120.400 0.186 0.000 2.581 315 D HA 0.617 5.291 4.640 0.056 0.000 0.232 315 D C -1.142 175.351 176.300 0.322 0.000 1.143 315 D CA -0.394 53.763 54.000 0.263 0.000 0.881 315 D CB 1.657 42.692 40.800 0.392 0.000 1.500 315 D HN 0.003 nan 8.370 nan 0.000 0.458 316 M N 2.400 122.158 119.600 0.264 0.000 2.307 316 M HA 0.427 4.941 4.480 0.056 0.000 0.279 316 M C -2.271 174.032 176.300 0.005 0.000 1.080 316 M CA -0.491 54.928 55.300 0.199 0.000 0.964 316 M CB 1.585 34.259 32.600 0.123 0.000 1.825 316 M HN 0.154 nan 8.290 nan 0.000 0.489 317 V N 3.886 123.771 119.914 -0.048 0.000 2.638 317 V HA 0.501 4.655 4.120 0.056 0.000 0.306 317 V C -0.886 175.154 176.094 -0.089 0.000 1.052 317 V CA -0.622 61.532 62.300 -0.243 0.000 0.885 317 V CB 2.085 33.481 31.823 -0.712 0.000 0.999 317 V HN 0.799 nan 8.190 nan 0.000 0.424 318 Q N 2.417 122.167 119.800 -0.083 0.000 2.293 318 Q HA 0.807 5.180 4.340 0.056 0.000 0.261 318 Q C -0.809 175.154 176.000 -0.061 0.000 0.960 318 Q CA -0.377 55.400 55.803 -0.044 0.000 0.882 318 Q CB 2.155 30.877 28.738 -0.028 0.000 1.275 318 Q HN 0.950 nan 8.270 nan 0.000 0.445 319 A N 3.329 126.123 122.820 -0.043 0.000 2.469 319 A HA 0.686 5.039 4.320 0.056 0.000 0.299 319 A C -1.383 176.183 177.584 -0.030 0.000 1.098 319 A CA -0.599 51.413 52.037 -0.043 0.000 0.737 319 A CB 1.968 20.940 19.000 -0.046 0.000 1.312 319 A HN 0.763 nan 8.150 nan 0.000 0.414 320 E N 0.111 120.296 120.200 -0.024 0.000 2.292 320 E HA 0.577 4.960 4.350 0.056 0.000 0.272 320 E C -1.241 175.359 176.600 0.000 0.000 0.881 320 E CA -0.782 55.614 56.400 -0.007 0.000 0.754 320 E CB 1.763 31.458 29.700 -0.008 0.000 1.201 320 E HN 0.554 nan 8.360 nan 0.000 0.425 321 R N 2.150 122.658 120.500 0.014 0.000 2.360 321 R HA 0.395 4.768 4.340 0.056 0.000 0.318 321 R C -1.202 175.146 176.300 0.079 0.000 0.950 321 R CA -0.214 55.904 56.100 0.030 0.000 0.837 321 R CB 1.174 31.484 30.300 0.016 0.000 1.165 321 R HN 0.553 nan 8.270 nan 0.000 0.458 322 S N 2.065 117.813 115.700 0.081 0.000 2.806 322 S HA 0.697 5.200 4.470 0.056 0.000 0.315 322 S C 0.425 175.088 174.600 0.105 0.000 1.127 322 S CA -0.432 57.844 58.200 0.127 0.000 0.918 322 S CB 1.367 64.621 63.200 0.089 0.000 1.240 322 S HN 1.181 nan 8.310 nan 0.000 0.552 323 G N 0.200 109.072 108.800 0.120 0.000 2.305 323 G HA2 -0.212 3.781 3.960 0.056 0.000 0.287 323 G HA3 -0.212 3.781 3.960 0.056 0.000 0.287 323 G C -0.197 174.768 174.900 0.108 0.000 1.036 323 G CA 0.285 45.446 45.100 0.102 0.000 0.887 323 G HN 0.826 nan 8.290 nan 0.000 0.505 324 I N 1.441 122.085 120.570 0.124 0.000 2.329 324 I HA 0.207 4.410 4.170 0.056 0.000 0.295 324 I C -1.805 174.406 176.117 0.156 0.000 1.109 324 I CA -2.084 59.297 61.300 0.135 0.000 1.297 324 I CB 0.902 38.977 38.000 0.126 0.000 1.433 324 I HN -0.070 nan 8.210 nan 0.000 0.509 325 P HA 0.182 nan 4.420 nan 0.000 0.271 325 P C -0.420 176.992 177.300 0.187 0.000 1.216 325 P CA -0.030 63.158 63.100 0.147 0.000 0.776 325 P CB 0.618 32.386 31.700 0.114 0.000 0.881 326 I N 3.417 124.074 120.570 0.145 0.000 2.315 326 I HA 0.331 4.534 4.170 0.056 0.000 0.291 326 I C 0.371 176.520 176.117 0.053 0.000 1.006 326 I CA -0.563 60.821 61.300 0.140 0.000 1.265 326 I CB 0.863 38.942 38.000 0.132 0.000 1.387 326 I HN 0.134 nan 8.210 nan 0.000 0.475 327 V N 1.629 121.559 119.914 0.027 0.000 3.078 327 V HA 0.522 4.675 4.120 0.056 0.000 0.311 327 V C 0.432 176.538 176.094 0.019 0.000 1.138 327 V CA -0.492 61.800 62.300 -0.013 0.000 1.007 327 V CB 1.594 33.367 31.823 -0.083 0.000 1.045 327 V HN 0.759 nan 8.190 nan 0.000 0.432 328 T N -2.038 112.522 114.554 0.011 0.000 3.069 328 T HA 0.358 4.741 4.350 0.056 0.000 0.252 328 T C 0.606 175.302 174.700 -0.006 0.000 1.053 328 T CA 0.589 62.764 62.100 0.125 0.000 0.964 328 T CB -0.039 68.894 68.868 0.109 0.000 1.005 328 T HN 1.181 nan 8.240 nan 0.000 0.532 329 S N 1.053 116.656 115.700 -0.163 0.000 2.536 329 S HA 0.563 5.066 4.470 0.056 0.000 0.271 329 S C -2.585 171.691 174.600 -0.541 0.000 1.134 329 S CA -1.300 56.723 58.200 -0.296 0.000 0.897 329 S CB 2.066 65.160 63.200 -0.177 0.000 1.094 329 S HN -0.090 nan 8.310 nan 0.000 0.473 330 P HA 0.171 nan 4.420 nan 0.000 0.231 330 P C -0.818 175.815 177.300 -1.112 0.000 1.168 330 P CA 0.846 63.165 63.100 -1.300 0.000 0.779 330 P CB -0.043 30.890 31.700 -1.278 0.000 0.844 331 Y N -1.063 119.023 120.300 -0.356 0.000 2.598 331 Y HA 0.604 5.183 4.550 0.048 0.000 0.340 331 Y C 0.499 176.244 175.900 -0.260 0.000 1.038 331 Y CA -0.961 56.977 58.100 -0.270 0.000 1.100 331 Y CB 1.349 39.675 38.460 -0.223 0.000 1.281 331 Y HN -0.296 nan 8.280 nan 0.000 0.488 332 Q N 1.249 120.992 119.800 -0.095 0.000 2.389 332 Q HA 0.657 5.030 4.340 0.056 0.000 0.277 332 Q C -1.596 174.119 176.000 -0.475 0.000 1.082 332 Q CA -0.735 54.899 55.803 -0.281 0.000 0.810 332 Q CB 3.250 31.820 28.738 -0.281 0.000 1.374 332 Q HN 0.538 nan 8.270 nan 0.000 0.422 333 I N 2.457 122.662 120.570 -0.609 0.000 2.389 333 I HA 0.360 4.563 4.170 0.056 0.000 0.288 333 I C -0.751 174.858 176.117 -0.848 0.000 0.999 333 I CA -0.699 60.221 61.300 -0.634 0.000 1.129 333 I CB 0.949 38.654 38.000 -0.491 0.000 1.288 333 I HN 0.476 nan 8.210 nan 0.000 0.444 334 H N 6.457 125.307 119.070 -0.367 0.000 2.489 334 H HA 0.292 4.889 4.556 0.069 0.000 0.343 334 H C -0.591 174.585 175.328 -0.253 0.000 1.086 334 H CA -0.569 55.350 56.048 -0.215 0.000 1.198 334 H CB 1.918 31.693 29.762 0.022 0.000 1.490 334 H HN 0.463 nan 8.280 nan 0.000 0.504 335 F N 1.245 121.291 119.950 0.160 0.000 2.730 335 F HA 0.016 4.581 4.527 0.064 0.000 0.295 335 F C 2.102 177.954 175.800 0.088 0.000 1.143 335 F CA -0.167 57.897 58.000 0.106 0.000 1.367 335 F CB -0.029 39.014 39.000 0.072 0.000 0.970 335 F HN 0.497 nan 8.300 nan 0.000 0.514 336 T N -3.172 111.518 114.554 0.227 0.000 2.915 336 T HA -0.096 4.287 4.350 0.056 0.000 0.269 336 T C 1.581 176.277 174.700 -0.007 0.000 1.071 336 T CA 0.958 63.118 62.100 0.100 0.000 1.132 336 T CB 0.004 68.905 68.868 0.056 0.000 0.878 336 T HN -0.083 nan 8.240 nan 0.000 0.479 337 K N 1.618 122.019 120.400 0.002 0.000 2.440 337 K HA 0.283 4.636 4.320 0.056 0.000 0.206 337 K C -0.121 176.514 176.600 0.058 0.000 1.025 337 K CA -0.008 56.245 56.287 -0.056 0.000 1.135 337 K CB 0.581 33.021 32.500 -0.100 0.000 0.856 337 K HN 0.317 nan 8.250 nan 0.000 0.502 338 T N 3.372 117.995 114.554 0.115 0.000 2.767 338 T HA 0.296 4.679 4.350 0.056 0.000 0.288 338 T C -2.619 172.160 174.700 0.131 0.000 0.963 338 T CA -1.695 60.469 62.100 0.106 0.000 1.019 338 T CB 1.710 70.680 68.868 0.171 0.000 0.923 338 T HN -0.088 nan 8.240 nan 0.000 0.468 339 P HA 0.093 nan 4.420 nan 0.000 0.266 339 P C 0.383 177.871 177.300 0.314 0.000 1.193 339 P CA -0.251 63.002 63.100 0.254 0.000 0.770 339 P CB 0.511 32.403 31.700 0.320 0.000 0.836 340 K N 1.616 122.111 120.400 0.159 0.000 2.437 340 K HA 0.185 4.538 4.320 0.056 0.000 0.205 340 K C -0.435 175.913 176.600 -0.420 0.000 1.026 340 K CA 0.074 56.289 56.287 -0.120 0.000 1.153 340 K CB -0.066 32.291 32.500 -0.238 0.000 0.863 340 K HN 0.509 nan 8.250 nan 0.000 0.502 341 Y N 0.230 120.655 120.300 0.207 0.000 2.457 341 Y HA 0.380 4.963 4.550 0.056 0.000 0.343 341 Y C -0.114 175.936 175.900 0.251 0.000 0.994 341 Y CA -1.758 56.452 58.100 0.183 0.000 1.031 341 Y CB 1.434 39.996 38.460 0.170 0.000 1.246 341 Y HN -0.016 nan 8.280 nan 0.000 0.449 342 F N -0.595 119.389 119.950 0.058 0.000 2.598 342 F HA 0.892 5.453 4.527 0.055 0.000 0.327 342 F C -1.325 174.495 175.800 0.034 0.000 1.057 342 F CA -1.624 56.363 58.000 -0.022 0.000 0.957 342 F CB 1.495 40.231 39.000 -0.440 0.000 1.278 342 F HN 0.166 nan 8.300 nan 0.000 0.484 343 K N 2.493 122.819 120.400 -0.123 0.000 2.334 343 K HA 0.412 4.765 4.320 0.056 0.000 0.265 343 K C -2.805 173.474 176.600 -0.535 0.000 1.039 343 K CA -1.817 54.199 56.287 -0.452 0.000 0.920 343 K CB 1.014 33.306 32.500 -0.346 0.000 1.160 343 K HN 0.262 nan 8.250 nan 0.000 0.451 344 P HA -0.060 nan 4.420 nan 0.000 0.262 344 P C 0.799 177.919 177.300 -0.300 0.000 1.182 344 P CA 0.988 63.941 63.100 -0.244 0.000 0.761 344 P CB 0.756 32.351 31.700 -0.175 0.000 0.795 345 G N 1.977 110.719 108.800 -0.096 0.000 2.234 345 G HA2 -0.220 3.774 3.960 0.056 0.000 0.235 345 G HA3 -0.220 3.774 3.960 0.056 0.000 0.235 345 G C 0.098 174.933 174.900 -0.107 0.000 0.997 345 G CA -0.203 44.844 45.100 -0.089 0.000 0.623 345 G HN 0.458 nan 8.290 nan 0.000 0.514 346 M N 0.620 120.134 119.600 -0.144 0.000 2.705 346 M HA 0.467 4.981 4.480 0.056 0.000 0.311 346 M C -2.660 173.544 176.300 -0.159 0.000 1.214 346 M CA -2.078 53.132 55.300 -0.152 0.000 0.920 346 M CB 1.435 33.919 32.600 -0.193 0.000 1.687 346 M HN -0.162 nan 8.290 nan 0.000 0.481 347 P HA 0.036 nan 4.420 nan 0.000 0.266 347 P C -1.294 175.866 177.300 -0.233 0.000 1.195 347 P CA 0.153 63.130 63.100 -0.204 0.000 0.768 347 P CB 0.203 31.793 31.700 -0.184 0.000 0.838 348 F N 3.234 123.072 119.950 -0.187 0.000 2.402 348 F HA 0.312 4.872 4.527 0.056 0.000 0.355 348 F C -0.441 175.342 175.800 -0.029 0.000 1.123 348 F CA -0.874 57.070 58.000 -0.094 0.000 1.021 348 F CB 0.697 39.657 39.000 -0.068 0.000 1.160 348 F HN 0.154 nan 8.300 nan 0.000 0.451 349 D N 6.489 126.627 120.400 -0.437 0.000 2.225 349 D HA 0.380 5.053 4.640 0.056 0.000 0.248 349 D C -0.847 175.088 176.300 -0.609 0.000 1.096 349 D CA 0.033 53.825 54.000 -0.347 0.000 0.863 349 D CB 1.923 42.661 40.800 -0.103 0.000 1.156 349 D HN 0.355 nan 8.370 nan 0.000 0.450 350 L N 2.042 123.060 121.223 -0.340 0.000 2.305 350 L HA 0.377 4.751 4.340 0.056 0.000 0.284 350 L C 0.218 177.064 176.870 -0.041 0.000 1.013 350 L CA -0.209 54.511 54.840 -0.200 0.000 0.819 350 L CB 1.600 43.640 42.059 -0.032 0.000 1.227 350 L HN 0.219 nan 8.230 nan 0.000 0.417 351 M N 5.158 124.762 119.600 0.006 0.000 2.094 351 M HA 0.370 4.883 4.480 0.056 0.000 0.348 351 M C -0.603 175.770 176.300 0.121 0.000 1.267 351 M CA -0.700 54.635 55.300 0.057 0.000 1.125 351 M CB 0.793 33.433 32.600 0.067 0.000 1.527 351 M HN 0.491 nan 8.290 nan 0.000 0.447 352 V N 4.510 124.488 119.914 0.107 0.000 2.481 352 V HA 0.562 4.716 4.120 0.056 0.000 0.286 352 V C -1.393 174.793 176.094 0.153 0.000 1.042 352 V CA -0.533 61.818 62.300 0.085 0.000 0.928 352 V CB 1.491 33.314 31.823 0.001 0.000 0.986 352 V HN 0.685 nan 8.190 nan 0.000 0.462 353 F N 5.751 125.679 119.950 -0.036 0.000 2.426 353 F HA 0.778 5.317 4.527 0.019 0.000 0.348 353 F C -0.554 175.269 175.800 0.039 0.000 1.124 353 F CA -1.180 56.833 58.000 0.022 0.000 1.008 353 F CB 1.706 40.737 39.000 0.052 0.000 1.139 353 F HN 0.493 nan 8.300 nan 0.000 0.452 354 V N 5.471 125.217 119.914 -0.280 0.000 2.409 354 V HA 0.497 4.650 4.120 0.056 0.000 0.291 354 V C -0.079 175.758 176.094 -0.428 0.000 1.020 354 V CA -0.504 61.603 62.300 -0.321 0.000 0.848 354 V CB 1.710 33.396 31.823 -0.228 0.000 0.990 354 V HN 0.890 nan 8.190 nan 0.000 0.430 355 T N 1.490 115.850 114.554 -0.323 0.000 2.950 355 T HA 0.527 4.910 4.350 0.056 0.000 0.288 355 T C -0.179 174.509 174.700 -0.020 0.000 1.035 355 T CA -0.961 61.005 62.100 -0.223 0.000 1.028 355 T CB 1.466 70.222 68.868 -0.188 0.000 1.109 355 T HN 0.452 nan 8.240 nan 0.000 0.514 356 N N 1.568 120.273 118.700 0.008 0.000 2.445 356 N HA 0.254 5.027 4.740 0.056 0.000 0.264 356 N C -1.928 173.561 175.510 -0.034 0.000 1.227 356 N CA -1.824 51.219 53.050 -0.012 0.000 0.963 356 N CB 0.783 39.306 38.487 0.060 0.000 1.188 356 N HN 0.412 nan 8.380 nan 0.000 0.491 357 P HA -0.094 nan 4.420 nan 0.000 0.226 357 P C 0.222 177.542 177.300 0.034 0.000 1.146 357 P CA 1.074 64.145 63.100 -0.048 0.000 0.773 357 P CB 0.076 31.726 31.700 -0.084 0.000 0.772 358 D N -2.158 118.278 120.400 0.061 0.000 2.328 358 D HA 0.122 4.795 4.640 0.056 0.000 0.221 358 D C 1.443 177.775 176.300 0.053 0.000 1.072 358 D CA 0.248 54.289 54.000 0.068 0.000 0.850 358 D CB -0.935 39.916 40.800 0.083 0.000 0.922 358 D HN 0.169 nan 8.370 nan 0.000 0.516 359 G N 0.437 109.259 108.800 0.037 0.000 2.179 359 G HA2 -0.307 3.686 3.960 0.056 0.000 0.260 359 G HA3 -0.307 3.686 3.960 0.056 0.000 0.260 359 G C 0.418 175.345 174.900 0.044 0.000 0.977 359 G CA 0.516 45.630 45.100 0.024 0.000 0.641 359 G HN 0.865 nan 8.290 nan 0.000 0.533 360 S N 1.332 117.065 115.700 0.056 0.000 2.580 360 S HA 0.623 5.127 4.470 0.056 0.000 0.274 360 S C -1.815 172.828 174.600 0.072 0.000 1.329 360 S CA -0.877 57.373 58.200 0.084 0.000 1.036 360 S CB 1.874 65.123 63.200 0.082 0.000 0.919 360 S HN 0.295 nan 8.310 nan 0.000 0.515 361 P HA 0.146 nan 4.420 nan 0.000 0.262 361 P C -0.759 176.612 177.300 0.119 0.000 1.182 361 P CA 0.138 63.332 63.100 0.157 0.000 0.761 361 P CB 0.144 31.988 31.700 0.239 0.000 0.795 362 A N 4.434 127.301 122.820 0.078 0.000 2.260 362 A HA 0.397 4.750 4.320 0.056 0.000 0.308 362 A C -0.900 176.779 177.584 0.159 0.000 1.254 362 A CA -0.506 51.616 52.037 0.142 0.000 0.874 362 A CB 0.100 19.198 19.000 0.162 0.000 1.153 362 A HN 0.526 nan 8.150 nan 0.000 0.527 363 Y N 2.224 122.553 120.300 0.048 0.000 2.334 363 Y HA 0.507 5.088 4.550 0.051 0.000 0.328 363 Y C 0.944 176.839 175.900 -0.008 0.000 1.130 363 Y CA -0.732 57.382 58.100 0.023 0.000 1.163 363 Y CB 0.965 39.449 38.460 0.040 0.000 1.207 363 Y HN 0.900 nan 8.280 nan 0.000 0.471 364 R N 1.738 121.932 120.500 -0.509 0.000 3.651 364 R HA -0.118 4.256 4.340 0.056 0.000 0.292 364 R C -1.815 174.286 176.300 -0.332 0.000 1.161 364 R CA 0.811 56.555 56.100 -0.593 0.000 0.787 364 R CB -2.297 27.438 30.300 -0.943 0.000 1.249 364 R HN 0.360 nan 8.270 nan 0.000 0.476 365 V N 1.342 121.077 119.914 -0.298 0.000 2.432 365 V HA 0.423 4.576 4.120 0.056 0.000 0.275 365 V C -1.862 174.069 176.094 -0.271 0.000 1.043 365 V CA -1.620 60.454 62.300 -0.376 0.000 0.925 365 V CB 1.631 33.052 31.823 -0.670 0.000 0.985 365 V HN 0.043 nan 8.190 nan 0.000 0.466 366 P HA 0.383 nan 4.420 nan 0.000 0.280 366 P C -0.801 176.406 177.300 -0.154 0.000 1.244 366 P CA -0.146 62.861 63.100 -0.156 0.000 0.784 366 P CB 1.189 32.818 31.700 -0.119 0.000 0.913 367 V N -0.389 119.457 119.914 -0.113 0.000 2.962 367 V HA 1.004 5.157 4.120 0.056 0.000 0.313 367 V C -0.823 175.241 176.094 -0.050 0.000 1.099 367 V CA -1.422 60.823 62.300 -0.091 0.000 0.971 367 V CB 1.710 33.477 31.823 -0.093 0.000 1.028 367 V HN 0.692 nan 8.190 nan 0.000 0.430 368 A N 1.937 124.738 122.820 -0.031 0.000 2.574 368 A HA 0.805 5.158 4.320 0.056 0.000 0.297 368 A C -0.904 176.687 177.584 0.012 0.000 1.062 368 A CA -0.662 51.368 52.037 -0.011 0.000 0.686 368 A CB 1.900 20.889 19.000 -0.019 0.000 1.285 368 A HN 1.412 nan 8.150 nan 0.000 0.403 369 V N 2.914 122.840 119.914 0.020 0.000 2.470 369 V HA 0.225 4.378 4.120 0.056 0.000 0.276 369 V C 0.836 176.939 176.094 0.014 0.000 1.040 369 V CA 0.179 62.497 62.300 0.030 0.000 1.008 369 V CB 0.801 32.641 31.823 0.028 0.000 0.990 369 V HN 1.002 nan 8.190 nan 0.000 0.477 370 Q N 4.674 124.483 119.800 0.015 0.000 2.373 370 Q HA 0.479 4.853 4.340 0.056 0.000 0.255 370 Q C 1.049 177.047 176.000 -0.003 0.000 0.980 370 Q CA 0.409 56.214 55.803 0.004 0.000 0.882 370 Q CB 1.002 29.743 28.738 0.005 0.000 1.249 370 Q HN 1.011 nan 8.270 nan 0.000 0.438 371 G N 3.005 111.801 108.800 -0.006 0.000 2.579 371 G HA2 -0.334 3.659 3.960 0.056 0.000 0.222 371 G HA3 -0.334 3.659 3.960 0.056 0.000 0.222 371 G C 0.093 174.989 174.900 -0.006 0.000 1.201 371 G CA 0.308 45.402 45.100 -0.009 0.000 0.710 371 G HN 0.702 nan 8.290 nan 0.000 0.516 372 E N 1.759 121.958 120.200 -0.003 0.000 2.598 372 E HA 0.292 4.676 4.350 0.056 0.000 0.233 372 E C 0.476 177.076 176.600 0.000 0.000 1.173 372 E CA -0.338 56.063 56.400 0.002 0.000 1.473 372 E CB 0.417 30.120 29.700 0.005 0.000 1.398 372 E HN 0.509 nan 8.360 nan 0.000 0.431 373 D N 0.947 121.345 120.400 -0.003 0.000 1.538 373 D HA -0.202 4.471 4.640 0.056 0.000 0.320 373 D C 1.570 177.866 176.300 -0.007 0.000 1.219 373 D CA 1.581 55.578 54.000 -0.006 0.000 1.029 373 D CB -0.276 40.519 40.800 -0.008 0.000 1.823 373 D HN 0.191 nan 8.370 nan 0.000 0.612 374 T N -0.531 114.017 114.554 -0.010 0.000 10.722 374 T HA -0.353 4.030 4.350 0.056 0.000 0.419 374 T C 1.832 176.525 174.700 -0.013 0.000 1.442 374 T CA 3.616 65.709 62.100 -0.011 0.000 2.427 374 T CB -1.493 67.371 68.868 -0.008 0.000 2.926 374 T HN 0.237 nan 8.240 nan 0.000 1.078 375 V N 0.054 119.961 119.914 -0.011 0.000 2.214 375 V HA -0.018 4.136 4.120 0.056 0.000 0.247 375 V C 1.002 177.086 176.094 -0.018 0.000 1.051 375 V CA 2.249 64.541 62.300 -0.012 0.000 1.003 375 V CB -1.201 30.617 31.823 -0.010 0.000 0.635 375 V HN 0.984 nan 8.190 nan 0.000 0.447 376 Q N -0.321 119.466 119.800 -0.021 0.000 3.239 376 Q HA -0.121 4.252 4.340 0.056 0.000 0.025 376 Q C -0.400 175.580 176.000 -0.032 0.000 1.712 376 Q CA 0.839 56.624 55.803 -0.030 0.000 0.239 376 Q CB -1.055 27.661 28.738 -0.036 0.000 0.585 376 Q HN 0.884 nan 8.270 nan 0.000 0.322 377 S N 1.367 117.043 115.700 -0.040 0.000 2.556 377 S HA 0.723 5.227 4.470 0.056 0.000 0.271 377 S C -1.476 173.090 174.600 -0.058 0.000 1.135 377 S CA -0.809 57.367 58.200 -0.039 0.000 0.858 377 S CB 1.159 64.343 63.200 -0.026 0.000 1.114 377 S HN 0.359 nan 8.310 nan 0.000 0.468 378 L N 3.679 124.868 121.223 -0.057 0.000 2.307 378 L HA 0.475 4.848 4.340 0.056 0.000 0.284 378 L C 0.883 177.721 176.870 -0.054 0.000 1.023 378 L CA -0.390 54.400 54.840 -0.083 0.000 0.810 378 L CB 1.208 43.208 42.059 -0.098 0.000 1.231 378 L HN 0.946 nan 8.230 nan 0.000 0.423 379 T N 0.677 115.190 114.554 -0.068 0.000 2.930 379 T HA 0.263 4.646 4.350 0.056 0.000 0.306 379 T C 0.377 175.133 174.700 0.094 0.000 1.045 379 T CA -0.675 61.429 62.100 0.006 0.000 1.134 379 T CB 1.068 69.933 68.868 -0.004 0.000 0.961 379 T HN 0.439 nan 8.240 nan 0.000 0.545 380 Q N 2.189 122.084 119.800 0.158 0.000 2.177 380 Q HA 0.363 4.736 4.340 0.056 0.000 0.183 380 Q C 1.998 178.196 176.000 0.330 0.000 1.040 380 Q CA -0.064 55.889 55.803 0.250 0.000 1.089 380 Q CB -0.304 28.512 28.738 0.129 0.000 1.130 380 Q HN 0.917 nan 8.270 nan 0.000 0.575 381 G N 1.012 109.886 108.800 0.123 0.000 2.442 381 G HA2 -0.259 3.734 3.960 0.056 0.000 0.219 381 G HA3 -0.259 3.734 3.960 0.056 0.000 0.219 381 G C 0.652 175.565 174.900 0.021 0.000 1.141 381 G CA 1.244 46.257 45.100 -0.145 0.000 0.763 381 G HN 0.710 nan 8.290 nan 0.000 0.554 382 D N -0.204 120.238 120.400 0.070 0.000 2.324 382 D HA 0.195 4.868 4.640 0.056 0.000 0.235 382 D C 1.642 178.100 176.300 0.264 0.000 1.095 382 D CA 0.560 54.629 54.000 0.116 0.000 0.871 382 D CB -0.658 40.172 40.800 0.050 0.000 0.906 382 D HN 0.519 nan 8.370 nan 0.000 0.522 383 G N -0.029 108.930 108.800 0.266 0.000 2.148 383 G HA2 -0.231 3.762 3.960 0.056 0.000 0.254 383 G HA3 -0.231 3.762 3.960 0.056 0.000 0.254 383 G C 0.246 175.338 174.900 0.321 0.000 0.981 383 G CA 0.511 45.790 45.100 0.299 0.000 0.670 383 G HN 0.928 nan 8.290 nan 0.000 0.528 384 V N -2.465 117.597 119.914 0.247 0.000 2.547 384 V HA 0.991 5.144 4.120 0.056 0.000 0.299 384 V C 0.158 176.312 176.094 0.099 0.000 1.040 384 V CA -0.264 62.152 62.300 0.193 0.000 0.913 384 V CB 1.873 33.785 31.823 0.148 0.000 0.992 384 V HN 1.832 nan 8.190 nan 0.000 0.449 385 A N 3.665 126.526 122.820 0.068 0.000 2.401 385 A HA 0.788 5.141 4.320 0.056 0.000 0.310 385 A C -0.536 177.062 177.584 0.023 0.000 1.075 385 A CA -0.965 51.088 52.037 0.028 0.000 0.746 385 A CB 1.783 20.782 19.000 -0.003 0.000 1.277 385 A HN 1.038 nan 8.150 nan 0.000 0.425 386 K N 2.384 122.788 120.400 0.006 0.000 2.240 386 K HA 0.669 5.022 4.320 0.056 0.000 0.271 386 K C -1.360 175.233 176.600 -0.011 0.000 1.018 386 K CA -0.256 56.027 56.287 -0.006 0.000 0.874 386 K CB 0.482 32.973 32.500 -0.016 0.000 1.098 386 K HN 0.673 nan 8.250 nan 0.000 0.458 387 L N 2.139 123.354 121.223 -0.014 0.000 2.322 387 L HA 0.521 4.894 4.340 0.056 0.000 0.269 387 L C -0.506 176.342 176.870 -0.036 0.000 1.012 387 L CA -0.890 53.942 54.840 -0.013 0.000 0.815 387 L CB 2.282 44.347 42.059 0.011 0.000 1.295 387 L HN 0.630 nan 8.230 nan 0.000 0.438 388 S N 2.335 118.021 115.700 -0.024 0.000 2.548 388 S HA 0.686 5.189 4.470 0.056 0.000 0.276 388 S C -0.876 173.719 174.600 -0.007 0.000 1.129 388 S CA -0.561 57.622 58.200 -0.028 0.000 0.931 388 S CB 2.119 65.306 63.200 -0.021 0.000 1.068 388 S HN 0.526 nan 8.310 nan 0.000 0.480 389 I N 0.055 120.631 120.570 0.010 0.000 2.545 389 I HA 0.594 4.797 4.170 0.056 0.000 0.292 389 I C -1.200 174.911 176.117 -0.010 0.000 1.040 389 I CA -0.883 60.425 61.300 0.012 0.000 1.068 389 I CB 1.862 39.882 38.000 0.033 0.000 1.251 389 I HN 0.447 nan 8.210 nan 0.000 0.424 390 N N 4.521 123.192 118.700 -0.048 0.000 2.439 390 N HA 0.202 4.975 4.740 0.056 0.000 0.243 390 N C -0.073 175.350 175.510 -0.145 0.000 1.088 390 N CA -0.339 52.651 53.050 -0.099 0.000 0.940 390 N CB 0.976 39.387 38.487 -0.126 0.000 1.180 390 N HN 0.762 nan 8.380 nan 0.000 0.505 391 T N -0.236 114.259 114.554 -0.098 0.000 2.884 391 T HA 0.072 4.456 4.350 0.056 0.000 0.298 391 T C 0.127 174.762 174.700 -0.109 0.000 0.998 391 T CA -0.502 61.560 62.100 -0.062 0.000 1.124 391 T CB 0.595 69.480 68.868 0.028 0.000 0.931 391 T HN 0.359 nan 8.240 nan 0.000 0.531 392 H N 3.341 122.411 119.070 -0.000 0.000 2.551 392 H HA 0.242 4.831 4.556 0.055 0.000 0.358 392 H C -2.026 173.327 175.328 0.043 0.000 1.151 392 H CA -1.785 54.272 56.048 0.014 0.000 1.374 392 H CB 1.030 30.796 29.762 0.005 0.000 1.473 392 H HN 0.541 nan 8.280 nan 0.000 0.574 393 P HA 0.023 nan 4.420 nan 0.000 0.231 393 P C -0.552 176.817 177.300 0.115 0.000 1.811 393 P CA -0.165 62.993 63.100 0.098 0.000 1.051 393 P CB -0.307 31.440 31.700 0.077 0.000 1.951 394 S N 0.624 116.408 115.700 0.140 0.000 2.689 394 S HA 0.428 4.932 4.470 0.056 0.000 0.306 394 S C 0.642 175.328 174.600 0.143 0.000 1.104 394 S CA -0.582 57.690 58.200 0.119 0.000 0.973 394 S CB 2.003 65.259 63.200 0.093 0.000 1.121 394 S HN -0.003 nan 8.310 nan 0.000 0.523 395 Q N 0.358 120.222 119.800 0.107 0.000 2.246 395 Q HA 0.323 4.696 4.340 0.056 0.000 0.202 395 Q C -0.147 175.927 176.000 0.123 0.000 0.883 395 Q CA 0.057 55.918 55.803 0.096 0.000 0.952 395 Q CB 0.184 28.957 28.738 0.059 0.000 1.078 395 Q HN 0.476 nan 8.270 nan 0.000 0.493 396 K N 1.837 122.316 120.400 0.132 0.000 2.412 396 K HA 0.126 4.480 4.320 0.056 0.000 0.281 396 K C -2.427 174.264 176.600 0.151 0.000 1.027 396 K CA -1.642 54.704 56.287 0.098 0.000 0.989 396 K CB 0.435 32.964 32.500 0.047 0.000 0.935 396 K HN 0.034 nan 8.250 nan 0.000 0.475 397 P HA -0.021 nan 4.420 nan 0.000 0.267 397 P C -0.630 176.621 177.300 -0.081 0.000 1.200 397 P CA -0.314 62.834 63.100 0.080 0.000 0.772 397 P CB 0.404 32.115 31.700 0.018 0.000 0.855 398 L N 2.380 123.451 121.223 -0.253 0.000 2.264 398 L HA 0.381 4.755 4.340 0.056 0.000 0.289 398 L C 0.203 176.885 176.870 -0.313 0.000 1.044 398 L CA 0.211 54.772 54.840 -0.465 0.000 0.807 398 L CB 0.951 42.412 42.059 -0.998 0.000 1.192 398 L HN 0.235 nan 8.230 nan 0.000 0.425 399 S N 5.674 121.236 115.700 -0.231 0.000 2.448 399 S HA 0.597 5.101 4.470 0.056 0.000 0.320 399 S C -0.645 173.858 174.600 -0.162 0.000 1.071 399 S CA -0.648 57.449 58.200 -0.172 0.000 1.113 399 S CB 0.220 63.353 63.200 -0.113 0.000 0.972 399 S HN 0.484 nan 8.310 nan 0.000 0.465 400 I N 4.576 125.038 120.570 -0.180 0.000 2.406 400 I HA 0.596 4.799 4.170 0.056 0.000 0.290 400 I C -0.605 175.466 176.117 -0.077 0.000 0.999 400 I CA 0.197 61.418 61.300 -0.133 0.000 1.124 400 I CB 2.080 40.006 38.000 -0.124 0.000 1.289 400 I HN 0.469 nan 8.210 nan 0.000 0.441 401 T N 6.695 121.252 114.554 0.005 0.000 2.779 401 T HA 0.579 4.962 4.350 0.056 0.000 0.280 401 T C -0.652 174.122 174.700 0.123 0.000 0.987 401 T CA -0.408 61.740 62.100 0.080 0.000 0.966 401 T CB 1.385 70.277 68.868 0.040 0.000 0.933 401 T HN 0.386 nan 8.240 nan 0.000 0.442 402 V N 5.040 125.088 119.914 0.223 0.000 2.459 402 V HA 0.557 4.710 4.120 0.056 0.000 0.295 402 V C 0.065 176.184 176.094 0.041 0.000 1.029 402 V CA -0.882 61.505 62.300 0.144 0.000 0.874 402 V CB 1.608 33.554 31.823 0.205 0.000 0.985 402 V HN 0.734 nan 8.190 nan 0.000 0.438 403 R N 2.019 122.518 120.500 -0.001 0.000 2.740 403 R HA 0.563 4.936 4.340 0.056 0.000 0.282 403 R C -0.466 175.794 176.300 -0.067 0.000 0.969 403 R CA -0.776 55.303 56.100 -0.035 0.000 0.918 403 R CB 1.978 32.264 30.300 -0.023 0.000 1.175 403 R HN 0.603 nan 8.270 nan 0.000 0.464 404 T N 2.587 117.086 114.554 -0.091 0.000 2.930 404 T HA 0.074 4.458 4.350 0.056 0.000 0.306 404 T C 0.563 175.210 174.700 -0.088 0.000 1.045 404 T CA 0.160 62.184 62.100 -0.127 0.000 1.134 404 T CB 0.360 69.139 68.868 -0.148 0.000 0.961 404 T HN 0.221 nan 8.240 nan 0.000 0.545 405 K N 2.556 122.894 120.400 -0.102 0.000 3.045 405 K HA 0.176 4.530 4.320 0.056 0.000 0.211 405 K C -0.125 176.432 176.600 -0.072 0.000 1.141 405 K CA -0.582 55.663 56.287 -0.071 0.000 1.036 405 K CB 0.782 33.244 32.500 -0.063 0.000 0.851 405 K HN 0.284 nan 8.250 nan 0.000 0.462 406 K N 2.438 122.797 120.400 -0.068 0.000 2.402 406 K HA -0.049 4.304 4.320 0.056 0.000 0.285 406 K C 1.432 178.021 176.600 -0.018 0.000 1.054 406 K CA 0.250 56.514 56.287 -0.039 0.000 1.001 406 K CB 0.734 33.257 32.500 0.038 0.000 0.946 406 K HN 0.265 nan 8.250 nan 0.000 0.473 407 Q N 3.448 123.234 119.800 -0.023 0.000 2.291 407 Q HA -0.173 4.200 4.340 0.056 0.000 0.206 407 Q C 0.302 176.296 176.000 -0.010 0.000 0.976 407 Q CA 1.525 57.317 55.803 -0.019 0.000 0.875 407 Q CB 0.073 28.798 28.738 -0.021 0.000 0.927 407 Q HN 0.633 nan 8.270 nan 0.000 0.450 408 E N 0.226 120.424 120.200 -0.003 0.000 2.437 408 E HA 0.125 4.508 4.350 0.056 0.000 0.189 408 E C -0.480 176.116 176.600 -0.007 0.000 1.054 408 E CA -0.073 56.327 56.400 -0.000 0.000 0.874 408 E CB 0.238 29.942 29.700 0.007 0.000 1.011 408 E HN 0.245 nan 8.360 nan 0.000 0.474 409 L N 0.814 122.030 121.223 -0.012 0.000 2.346 409 L HA 0.300 4.673 4.340 0.056 0.000 0.274 409 L C 0.429 177.285 176.870 -0.023 0.000 1.007 409 L CA -0.800 54.023 54.840 -0.030 0.000 0.818 409 L CB 1.935 43.974 42.059 -0.033 0.000 1.284 409 L HN -0.166 nan 8.230 nan 0.000 0.424 410 S N 0.839 116.526 115.700 -0.022 0.000 2.580 410 S HA 0.012 4.515 4.470 0.056 0.000 0.261 410 S C 1.143 175.735 174.600 -0.013 0.000 1.366 410 S CA -0.371 57.823 58.200 -0.011 0.000 0.996 410 S CB 0.453 63.655 63.200 0.005 0.000 0.902 410 S HN 0.579 nan 8.310 nan 0.000 0.566 411 E N 1.341 121.536 120.200 -0.008 0.000 2.077 411 E HA -0.124 4.259 4.350 0.056 0.000 0.193 411 E C 2.312 178.911 176.600 -0.003 0.000 0.989 411 E CA 1.411 57.806 56.400 -0.008 0.000 0.800 411 E CB -0.812 28.884 29.700 -0.007 0.000 0.746 411 E HN 0.661 nan 8.360 nan 0.000 0.452 412 A N 1.137 123.963 122.820 0.010 0.000 1.940 412 A HA -0.227 4.127 4.320 0.056 0.000 0.219 412 A C 2.025 179.624 177.584 0.026 0.000 1.176 412 A CA 1.740 53.797 52.037 0.032 0.000 0.631 412 A CB -0.473 18.563 19.000 0.060 0.000 0.814 412 A HN 0.226 nan 8.150 nan 0.000 0.446 413 E N -0.305 119.891 120.200 -0.007 0.000 2.358 413 E HA -0.054 4.329 4.350 0.056 0.000 0.195 413 E C 0.191 176.746 176.600 -0.075 0.000 1.010 413 E CA 0.015 56.366 56.400 -0.081 0.000 0.856 413 E CB 0.068 29.677 29.700 -0.151 0.000 0.795 413 E HN 0.590 nan 8.360 nan 0.000 0.504 414 Q N 0.247 120.026 119.800 -0.035 0.000 2.373 414 Q HA 0.273 4.646 4.340 0.056 0.000 0.255 414 Q C -0.276 175.706 176.000 -0.030 0.000 0.980 414 Q CA -0.042 55.749 55.803 -0.020 0.000 0.882 414 Q CB 1.155 29.880 28.738 -0.022 0.000 1.249 414 Q HN 0.077 nan 8.270 nan 0.000 0.438 415 A N 1.671 124.475 122.820 -0.026 0.000 2.322 415 A HA 0.568 4.922 4.320 0.056 0.000 0.269 415 A C 0.093 177.636 177.584 -0.068 0.000 1.094 415 A CA -0.117 51.885 52.037 -0.059 0.000 0.807 415 A CB 0.995 19.955 19.000 -0.068 0.000 1.047 415 A HN 0.622 nan 8.150 nan 0.000 0.487 416 T N -0.000 114.511 114.554 -0.071 0.000 2.900 416 T HA 0.685 5.068 4.350 0.056 0.000 0.303 416 T C -1.081 173.592 174.700 -0.045 0.000 1.142 416 T CA -0.607 61.467 62.100 -0.044 0.000 1.007 416 T CB 1.142 70.001 68.868 -0.014 0.000 1.156 416 T HN 0.945 nan 8.240 nan 0.000 0.490 417 R N 1.326 121.837 120.500 0.019 0.000 2.561 417 R HA 0.599 4.973 4.340 0.056 0.000 0.266 417 R C -1.605 174.899 176.300 0.340 0.000 1.091 417 R CA -0.358 55.813 56.100 0.118 0.000 0.927 417 R CB 1.940 32.219 30.300 -0.036 0.000 1.240 417 R HN 0.684 nan 8.270 nan 0.000 0.449 418 T N 5.093 119.802 114.554 0.257 0.000 2.779 418 T HA 0.560 4.943 4.350 0.056 0.000 0.280 418 T C -0.255 174.459 174.700 0.024 0.000 0.987 418 T CA -0.667 61.509 62.100 0.126 0.000 0.966 418 T CB 0.804 69.694 68.868 0.037 0.000 0.933 418 T HN 0.606 nan 8.240 nan 0.000 0.442 419 M N 1.954 121.386 119.600 -0.280 0.000 2.724 419 M HA 0.667 5.180 4.480 0.056 0.000 0.310 419 M C -0.868 175.271 176.300 -0.269 0.000 1.217 419 M CA -0.985 54.100 55.300 -0.357 0.000 0.894 419 M CB 2.107 34.239 32.600 -0.780 0.000 1.719 419 M HN 0.371 nan 8.290 nan 0.000 0.479 420 Q N 1.301 120.975 119.800 -0.211 0.000 2.340 420 Q HA 0.742 5.115 4.340 0.056 0.000 0.268 420 Q C -1.964 173.902 176.000 -0.222 0.000 1.031 420 Q CA -0.649 55.036 55.803 -0.197 0.000 0.804 420 Q CB 2.352 31.011 28.738 -0.132 0.000 1.286 420 Q HN 0.969 nan 8.270 nan 0.000 0.448 421 A N 4.888 127.542 122.820 -0.277 0.000 2.318 421 A HA 0.624 4.977 4.320 0.056 0.000 0.324 421 A C -1.029 176.542 177.584 -0.021 0.000 1.170 421 A CA -0.612 51.269 52.037 -0.260 0.000 0.810 421 A CB 0.737 19.383 19.000 -0.591 0.000 1.198 421 A HN 0.795 nan 8.150 nan 0.000 0.484 422 L N 3.681 124.896 121.223 -0.014 0.000 2.343 422 L HA 0.456 4.829 4.340 0.056 0.000 0.275 422 L C -1.975 174.997 176.870 0.170 0.000 1.056 422 L CA -2.184 52.731 54.840 0.124 0.000 0.804 422 L CB 2.007 44.086 42.059 0.033 0.000 1.203 422 L HN 0.493 nan 8.230 nan 0.000 0.440 423 P HA -0.032 nan 4.420 nan 0.000 0.276 423 P C -1.088 176.178 177.300 -0.057 0.000 1.230 423 P CA -0.141 62.663 63.100 -0.494 0.000 0.776 423 P CB 0.365 31.833 31.700 -0.387 0.000 0.888 424 Y N 2.782 122.990 120.300 -0.154 0.000 2.620 424 Y HA 0.081 4.664 4.550 0.055 0.000 0.330 424 Y C 0.652 176.566 175.900 0.024 0.000 1.186 424 Y CA 0.561 58.649 58.100 -0.020 0.000 1.467 424 Y CB 0.506 38.998 38.460 0.054 0.000 1.262 424 Y HN 0.289 nan 8.280 nan 0.000 0.550 425 S N 5.141 120.540 115.700 -0.502 0.000 2.452 425 S HA 0.317 4.820 4.470 0.056 0.000 0.284 425 S C -0.273 174.049 174.600 -0.464 0.000 1.171 425 S CA -0.474 57.515 58.200 -0.350 0.000 1.064 425 S CB -0.147 62.895 63.200 -0.263 0.000 0.967 425 S HN 0.874 nan 8.310 nan 0.000 0.484 426 T N 2.219 116.639 114.554 -0.224 0.000 2.868 426 T HA 0.293 4.676 4.350 0.056 0.000 0.292 426 T C 1.602 176.227 174.700 -0.126 0.000 1.028 426 T CA -0.804 61.181 62.100 -0.193 0.000 1.059 426 T CB 0.832 69.562 68.868 -0.230 0.000 0.991 426 T HN 0.332 nan 8.240 nan 0.000 0.531 427 V N 1.712 121.578 119.914 -0.081 0.000 2.255 427 V HA 0.094 4.247 4.120 0.056 0.000 0.247 427 V C 1.889 177.960 176.094 -0.039 0.000 1.051 427 V CA 2.205 64.486 62.300 -0.032 0.000 1.018 427 V CB -0.936 30.868 31.823 -0.032 0.000 0.641 427 V HN 1.177 nan 8.190 nan 0.000 0.445 428 G N -0.857 107.912 108.800 -0.051 0.000 4.740 428 G HA2 0.367 4.360 3.960 0.056 0.000 0.290 428 G HA3 0.367 4.360 3.960 0.056 0.000 0.290 428 G C -0.128 174.749 174.900 -0.038 0.000 1.333 428 G CA -0.193 44.883 45.100 -0.039 0.000 0.923 428 G HN 0.531 nan 8.290 nan 0.000 0.559 429 N N 0.142 118.818 118.700 -0.039 0.000 2.725 429 N HA -0.290 4.483 4.740 0.056 0.000 0.251 429 N C 1.709 177.203 175.510 -0.025 0.000 1.031 429 N CA 0.576 53.613 53.050 -0.022 0.000 0.720 429 N CB -0.591 37.894 38.487 -0.003 0.000 0.930 429 N HN 0.546 nan 8.380 nan 0.000 0.543 430 S N -0.359 115.303 115.700 -0.062 0.000 2.439 430 S HA -0.018 4.485 4.470 0.056 0.000 0.224 430 S C 0.746 175.316 174.600 -0.050 0.000 1.029 430 S CA 0.938 59.097 58.200 -0.069 0.000 0.946 430 S CB 0.065 63.205 63.200 -0.101 0.000 0.797 430 S HN 0.604 nan 8.310 nan 0.000 0.504 431 N N 1.098 119.740 118.700 -0.095 0.000 2.882 431 N HA -0.106 4.667 4.740 0.056 0.000 0.249 431 N C -1.564 173.892 175.510 -0.089 0.000 1.079 431 N CA 0.466 53.508 53.050 -0.013 0.000 0.800 431 N CB -1.383 37.189 38.487 0.142 0.000 1.124 431 N HN 0.424 nan 8.380 nan 0.000 0.557 432 N N 0.890 119.415 118.700 -0.292 0.000 2.425 432 N HA 0.393 5.167 4.740 0.056 0.000 0.268 432 N C -1.047 174.293 175.510 -0.283 0.000 0.991 432 N CA 0.260 53.254 53.050 -0.092 0.000 0.931 432 N CB 0.671 39.191 38.487 0.054 0.000 1.130 432 N HN 0.174 nan 8.380 nan 0.000 0.493 433 Y N 0.355 120.786 120.300 0.218 0.000 2.576 433 Y HA 0.568 5.151 4.550 0.056 0.000 0.346 433 Y C -0.395 175.616 175.900 0.186 0.000 1.018 433 Y CA -1.179 56.988 58.100 0.111 0.000 1.050 433 Y CB 1.816 40.303 38.460 0.046 0.000 1.280 433 Y HN 0.282 nan 8.280 nan 0.000 0.474 434 L N 1.853 123.195 121.223 0.198 0.000 2.362 434 L HA 0.606 4.979 4.340 0.056 0.000 0.271 434 L C -1.628 175.287 176.870 0.075 0.000 1.002 434 L CA -0.509 54.441 54.840 0.183 0.000 0.818 434 L CB 1.540 43.688 42.059 0.149 0.000 1.298 434 L HN 0.761 nan 8.230 nan 0.000 0.420 435 H N 4.078 123.121 119.070 -0.044 0.000 2.823 435 H HA 0.608 5.197 4.556 0.055 0.000 0.332 435 H C -1.670 173.558 175.328 -0.167 0.000 0.980 435 H CA -0.437 55.559 56.048 -0.087 0.000 1.286 435 H CB 1.083 30.823 29.762 -0.037 0.000 1.541 435 H HN 0.645 nan 8.280 nan 0.000 0.521 436 L N 3.875 124.698 121.223 -0.666 0.000 2.307 436 L HA 0.488 4.861 4.340 0.056 0.000 0.282 436 L C 0.063 176.469 176.870 -0.774 0.000 1.051 436 L CA -0.573 53.849 54.840 -0.697 0.000 0.804 436 L CB 1.614 43.330 42.059 -0.572 0.000 1.197 436 L HN 0.511 nan 8.230 nan 0.000 0.431 437 S N 2.231 117.611 115.700 -0.535 0.000 2.538 437 S HA 0.804 5.307 4.470 0.056 0.000 0.288 437 S C -0.785 173.676 174.600 -0.231 0.000 1.108 437 S CA -0.592 57.401 58.200 -0.345 0.000 0.971 437 S CB 1.656 64.739 63.200 -0.196 0.000 1.041 437 S HN 0.413 nan 8.310 nan 0.000 0.483 438 V N 2.674 122.482 119.914 -0.177 0.000 3.040 438 V HA 0.683 4.837 4.120 0.056 0.000 0.312 438 V C -0.795 175.238 176.094 -0.101 0.000 1.115 438 V CA -1.182 61.035 62.300 -0.138 0.000 0.998 438 V CB 1.478 33.205 31.823 -0.160 0.000 1.042 438 V HN 0.800 nan 8.190 nan 0.000 0.433 439 L N 2.688 123.861 121.223 -0.084 0.000 2.367 439 L HA 0.506 4.880 4.340 0.056 0.000 0.275 439 L C 0.561 177.384 176.870 -0.079 0.000 1.129 439 L CA -0.305 54.495 54.840 -0.067 0.000 0.839 439 L CB 0.650 42.677 42.059 -0.053 0.000 1.133 439 L HN 0.682 nan 8.230 nan 0.000 0.453 440 R N 1.731 122.194 120.500 -0.062 0.000 2.583 440 R HA 0.684 5.057 4.340 0.056 0.000 0.268 440 R C -0.315 175.957 176.300 -0.046 0.000 1.101 440 R CA -0.347 55.717 56.100 -0.060 0.000 1.180 440 R CB 0.897 31.180 30.300 -0.030 0.000 1.128 440 R HN 0.864 nan 8.270 nan 0.000 0.568 441 T N -2.947 111.582 114.554 -0.043 0.000 2.994 441 T HA -0.066 4.318 4.350 0.056 0.000 0.372 441 T C -1.242 173.428 174.700 -0.051 0.000 1.646 441 T CA -0.888 61.194 62.100 -0.031 0.000 0.995 441 T CB -0.802 68.052 68.868 -0.024 0.000 1.928 441 T HN 0.511 nan 8.240 nan 0.000 0.505 442 E N 1.370 121.545 120.200 -0.042 0.000 3.288 442 E HA 0.209 4.593 4.350 0.056 0.000 0.237 442 E C 0.069 176.629 176.600 -0.066 0.000 0.958 442 E CA 0.301 56.670 56.400 -0.053 0.000 0.947 442 E CB -0.082 29.592 29.700 -0.043 0.000 0.896 442 E HN 0.585 nan 8.360 nan 0.000 0.566 443 L N 3.774 124.946 121.223 -0.085 0.000 2.298 443 L HA 0.484 4.858 4.340 0.056 0.000 0.284 443 L C -0.474 176.343 176.870 -0.088 0.000 1.013 443 L CA -0.821 53.963 54.840 -0.092 0.000 0.824 443 L CB 0.940 42.932 42.059 -0.112 0.000 1.221 443 L HN 0.456 nan 8.230 nan 0.000 0.418 444 R N 4.528 124.979 120.500 -0.081 0.000 2.803 444 R HA 0.568 4.941 4.340 0.056 0.000 0.276 444 R C -2.504 173.748 176.300 -0.080 0.000 0.978 444 R CA -1.862 54.195 56.100 -0.071 0.000 0.939 444 R CB 1.329 31.596 30.300 -0.055 0.000 1.179 444 R HN 0.356 nan 8.270 nan 0.000 0.472 445 P HA -0.011 nan 4.420 nan 0.000 0.266 445 P C 0.498 177.764 177.300 -0.056 0.000 1.186 445 P CA 1.392 64.457 63.100 -0.058 0.000 0.767 445 P CB 0.573 32.264 31.700 -0.015 0.000 0.820 446 G N 1.459 110.220 108.800 -0.065 0.000 2.383 446 G HA2 -0.232 3.762 3.960 0.056 0.000 0.229 446 G HA3 -0.232 3.762 3.960 0.056 0.000 0.229 446 G C -0.017 174.840 174.900 -0.071 0.000 1.089 446 G CA -0.228 44.839 45.100 -0.054 0.000 0.640 446 G HN 0.576 nan 8.290 nan 0.000 0.510 447 E N 1.505 121.653 120.200 -0.088 0.000 2.354 447 E HA 0.481 4.864 4.350 0.056 0.000 0.269 447 E C -0.148 176.379 176.600 -0.122 0.000 1.036 447 E CA 0.152 56.499 56.400 -0.090 0.000 0.876 447 E CB 0.789 30.439 29.700 -0.084 0.000 1.009 447 E HN 0.195 nan 8.360 nan 0.000 0.416 448 T N 2.494 116.988 114.554 -0.099 0.000 2.882 448 T HA 0.323 4.706 4.350 0.056 0.000 0.287 448 T C -0.533 174.106 174.700 -0.103 0.000 0.992 448 T CA -0.544 61.490 62.100 -0.109 0.000 1.076 448 T CB 0.521 69.345 68.868 -0.073 0.000 0.961 448 T HN 0.145 nan 8.240 nan 0.000 0.490 449 L N 3.923 125.076 121.223 -0.118 0.000 2.333 449 L HA 0.486 4.860 4.340 0.056 0.000 0.280 449 L C -0.603 176.226 176.870 -0.069 0.000 1.004 449 L CA -0.635 54.151 54.840 -0.090 0.000 0.820 449 L CB 1.192 43.201 42.059 -0.083 0.000 1.247 449 L HN 0.414 nan 8.230 nan 0.000 0.416 450 N N 4.028 122.696 118.700 -0.053 0.000 2.442 450 N HA 0.269 5.042 4.740 0.056 0.000 0.265 450 N C -0.985 174.496 175.510 -0.047 0.000 1.138 450 N CA -0.112 52.917 53.050 -0.034 0.000 0.956 450 N CB 1.510 39.983 38.487 -0.022 0.000 1.067 450 N HN 0.351 nan 8.380 nan 0.000 0.474 451 V N 3.037 122.932 119.914 -0.031 0.000 2.370 451 V HA 0.283 4.436 4.120 0.056 0.000 0.283 451 V C 0.092 176.158 176.094 -0.046 0.000 1.023 451 V CA -0.913 61.327 62.300 -0.100 0.000 0.857 451 V CB 1.052 32.792 31.823 -0.138 0.000 0.985 451 V HN 0.542 nan 8.190 nan 0.000 0.443 452 N N 4.438 123.048 118.700 -0.150 0.000 2.426 452 N HA 0.520 5.293 4.740 0.056 0.000 0.257 452 N C -1.142 174.251 175.510 -0.196 0.000 1.002 452 N CA -0.282 52.731 53.050 -0.062 0.000 0.942 452 N CB 0.867 39.317 38.487 -0.062 0.000 1.112 452 N HN 0.558 nan 8.380 nan 0.000 0.499 453 F N 2.662 122.538 119.950 -0.123 0.000 2.385 453 F HA 0.400 4.962 4.527 0.057 0.000 0.360 453 F C -0.181 175.545 175.800 -0.124 0.000 1.122 453 F CA -0.937 56.920 58.000 -0.238 0.000 1.090 453 F CB 0.812 39.566 39.000 -0.410 0.000 1.150 453 F HN 0.221 nan 8.300 nan 0.000 0.472 454 L N 5.231 126.475 121.223 0.036 0.000 2.385 454 L HA 0.658 5.031 4.340 0.056 0.000 0.273 454 L C -1.674 175.278 176.870 0.137 0.000 0.990 454 L CA -0.829 54.074 54.840 0.106 0.000 0.821 454 L CB 1.618 43.747 42.059 0.117 0.000 1.279 454 L HN 0.529 nan 8.230 nan 0.000 0.412 455 L N 4.929 126.246 121.223 0.157 0.000 2.307 455 L HA 0.622 4.996 4.340 0.056 0.000 0.284 455 L C -0.587 176.374 176.870 0.152 0.000 1.023 455 L CA -0.175 54.768 54.840 0.172 0.000 0.810 455 L CB 1.252 43.392 42.059 0.135 0.000 1.231 455 L HN 0.770 nan 8.230 nan 0.000 0.423 456 R N 7.159 127.785 120.500 0.210 0.000 2.320 456 R HA 0.779 5.152 4.340 0.056 0.000 0.319 456 R C -1.340 175.106 176.300 0.244 0.000 0.969 456 R CA -0.400 55.833 56.100 0.221 0.000 0.857 456 R CB 0.660 31.114 30.300 0.256 0.000 1.160 456 R HN 0.840 nan 8.270 nan 0.000 0.491 457 M N 1.460 121.156 119.600 0.161 0.000 2.643 457 M HA 0.334 4.847 4.480 0.056 0.000 0.276 457 M C -1.598 174.772 176.300 0.117 0.000 1.200 457 M CA -1.186 54.203 55.300 0.148 0.000 0.863 457 M CB 1.806 34.482 32.600 0.127 0.000 1.711 457 M HN 0.415 nan 8.290 nan 0.000 0.492 458 D N 1.938 122.419 120.400 0.136 0.000 2.399 458 D HA 0.084 4.758 4.640 0.056 0.000 0.241 458 D C 0.859 177.180 176.300 0.035 0.000 1.133 458 D CA -0.224 53.832 54.000 0.093 0.000 0.890 458 D CB 0.980 41.844 40.800 0.107 0.000 1.201 458 D HN 0.854 nan 8.370 nan 0.000 0.432 459 R N 1.550 122.047 120.500 -0.005 0.000 2.170 459 R HA -0.149 4.224 4.340 0.056 0.000 0.242 459 R C 1.829 178.070 176.300 -0.098 0.000 1.145 459 R CA 1.355 57.434 56.100 -0.036 0.000 0.984 459 R CB -0.790 29.493 30.300 -0.028 0.000 0.869 459 R HN 0.440 nan 8.270 nan 0.000 0.455 460 A N 1.179 123.883 122.820 -0.194 0.000 2.019 460 A HA -0.142 4.212 4.320 0.056 0.000 0.219 460 A C 1.041 178.329 177.584 -0.495 0.000 1.164 460 A CA 1.500 53.303 52.037 -0.391 0.000 0.644 460 A CB -0.438 18.221 19.000 -0.569 0.000 0.805 460 A HN 0.638 nan 8.150 nan 0.000 0.449 461 H N -1.837 117.224 119.070 -0.015 0.000 3.241 461 H HA 0.131 4.720 4.556 0.056 0.000 0.260 461 H C 1.772 177.069 175.328 -0.052 0.000 1.084 461 H CA 0.451 56.483 56.048 -0.027 0.000 1.203 461 H CB 0.242 29.995 29.762 -0.015 0.000 1.524 461 H HN 0.656 nan 8.280 nan 0.000 0.521 462 E N 1.555 121.771 120.200 0.026 0.000 2.160 462 E HA -0.166 4.218 4.350 0.056 0.000 0.195 462 E C 2.026 178.582 176.600 -0.074 0.000 0.991 462 E CA 1.360 57.740 56.400 -0.033 0.000 0.810 462 E CB -0.291 29.394 29.700 -0.025 0.000 0.742 462 E HN 0.387 nan 8.360 nan 0.000 0.466 463 A N 1.035 123.823 122.820 -0.054 0.000 2.121 463 A HA -0.108 4.245 4.320 0.056 0.000 0.218 463 A C 1.838 179.376 177.584 -0.077 0.000 1.154 463 A CA 1.110 53.110 52.037 -0.062 0.000 0.679 463 A CB -0.321 18.653 19.000 -0.044 0.000 0.795 463 A HN 0.078 nan 8.150 nan 0.000 0.458 464 K N -0.213 120.143 120.400 -0.073 0.000 2.283 464 K HA 0.008 4.361 4.320 0.056 0.000 0.202 464 K C 0.056 176.551 176.600 -0.176 0.000 1.048 464 K CA 0.406 56.639 56.287 -0.089 0.000 0.948 464 K CB -0.154 32.315 32.500 -0.051 0.000 0.742 464 K HN 0.372 nan 8.250 nan 0.000 0.458 465 I N 2.133 122.556 120.570 -0.246 0.000 2.337 465 I HA 0.086 4.290 4.170 0.056 0.000 0.291 465 I C 1.028 176.917 176.117 -0.380 0.000 1.046 465 I CA 0.115 61.167 61.300 -0.414 0.000 1.324 465 I CB 0.977 38.622 38.000 -0.592 0.000 1.409 465 I HN -0.081 nan 8.210 nan 0.000 0.494 466 R N 5.620 125.872 120.500 -0.414 0.000 2.446 466 R HA 0.223 4.596 4.340 0.056 0.000 0.254 466 R C -0.760 175.472 176.300 -0.112 0.000 0.918 466 R CA -0.003 55.979 56.100 -0.197 0.000 1.069 466 R CB 0.307 30.596 30.300 -0.018 0.000 1.194 466 R HN 0.711 nan 8.270 nan 0.000 0.534 467 Y N -3.103 116.977 120.300 -0.366 0.000 2.732 467 Y HA 0.536 5.119 4.550 0.055 0.000 0.342 467 Y C -1.676 173.916 175.900 -0.512 0.000 1.203 467 Y CA -2.128 55.744 58.100 -0.380 0.000 1.092 467 Y CB 0.300 38.662 38.460 -0.162 0.000 1.345 467 Y HN -0.179 nan 8.280 nan 0.000 0.458 468 Y N 0.099 120.466 120.300 0.111 0.000 2.468 468 Y HA 0.704 5.288 4.550 0.057 0.000 0.342 468 Y C -0.056 175.927 175.900 0.138 0.000 1.021 468 Y CA -1.236 56.920 58.100 0.094 0.000 1.079 468 Y CB 2.452 40.969 38.460 0.096 0.000 1.226 468 Y HN 0.682 nan 8.280 nan 0.000 0.460 469 T N 3.177 117.847 114.554 0.193 0.000 2.837 469 T HA 0.404 4.787 4.350 0.056 0.000 0.285 469 T C -1.175 173.727 174.700 0.337 0.000 0.984 469 T CA -0.538 61.643 62.100 0.135 0.000 1.049 469 T CB -0.036 68.847 68.868 0.025 0.000 0.947 469 T HN 0.482 nan 8.240 nan 0.000 0.472 470 Y N 1.410 121.895 120.300 0.307 0.000 2.446 470 Y HA 0.823 5.407 4.550 0.056 0.000 0.345 470 Y C -1.647 174.427 175.900 0.289 0.000 0.984 470 Y CA -1.984 56.319 58.100 0.339 0.000 1.058 470 Y CB 0.798 39.497 38.460 0.400 0.000 1.220 470 Y HN 0.413 nan 8.280 nan 0.000 0.455 471 L N 4.869 126.385 121.223 0.487 0.000 2.410 471 L HA 0.577 4.950 4.340 0.056 0.000 0.270 471 L C -0.917 176.154 176.870 0.336 0.000 0.983 471 L CA -0.721 54.338 54.840 0.366 0.000 0.822 471 L CB 2.412 44.681 42.059 0.351 0.000 1.285 471 L HN 0.679 nan 8.230 nan 0.000 0.409 472 I N 3.689 124.417 120.570 0.264 0.000 2.359 472 I HA 0.319 4.522 4.170 0.056 0.000 0.284 472 I C -0.353 175.841 176.117 0.128 0.000 1.018 472 I CA -0.342 61.074 61.300 0.194 0.000 1.173 472 I CB 1.240 39.289 38.000 0.082 0.000 1.326 472 I HN 0.460 nan 8.210 nan 0.000 0.462 473 M N 6.124 125.833 119.600 0.182 0.000 2.162 473 M HA 0.240 4.753 4.480 0.056 0.000 0.356 473 M C -0.295 176.094 176.300 0.149 0.000 1.303 473 M CA 0.419 55.810 55.300 0.153 0.000 1.116 473 M CB 0.638 33.345 32.600 0.178 0.000 1.632 473 M HN 0.551 nan 8.290 nan 0.000 0.469 474 N N 2.712 121.461 118.700 0.082 0.000 2.287 474 N HA 0.183 4.956 4.740 0.056 0.000 0.289 474 N C -0.659 174.910 175.510 0.099 0.000 1.066 474 N CA -0.212 52.892 53.050 0.089 0.000 0.841 474 N CB 1.698 40.173 38.487 -0.021 0.000 1.599 474 N HN 0.630 nan 8.380 nan 0.000 0.476 475 K N 1.714 122.207 120.400 0.155 0.000 2.971 475 K HA -0.238 4.115 4.320 0.056 0.000 0.265 475 K C 0.569 177.258 176.600 0.148 0.000 1.052 475 K CA 1.088 57.491 56.287 0.193 0.000 0.780 475 K CB -1.533 31.103 32.500 0.227 0.000 1.214 475 K HN 1.001 nan 8.250 nan 0.000 0.478 476 G N 0.045 108.913 108.800 0.113 0.000 2.131 476 G HA2 -0.275 3.718 3.960 0.056 0.000 0.201 476 G HA3 -0.275 3.718 3.960 0.056 0.000 0.201 476 G C -0.229 174.695 174.900 0.040 0.000 1.000 476 G CA 0.165 45.306 45.100 0.068 0.000 0.680 476 G HN 0.526 nan 8.290 nan 0.000 0.514 477 R N -1.365 119.165 120.500 0.049 0.000 2.710 477 R HA 0.729 5.102 4.340 0.056 0.000 0.270 477 R C -0.396 175.925 176.300 0.035 0.000 1.021 477 R CA -1.265 54.851 56.100 0.026 0.000 0.889 477 R CB 0.578 30.875 30.300 -0.005 0.000 1.243 477 R HN 0.111 nan 8.270 nan 0.000 0.464 478 L N 2.881 124.127 121.223 0.039 0.000 2.600 478 L HA 0.046 4.420 4.340 0.056 0.000 0.278 478 L C 0.817 177.687 176.870 0.000 0.000 1.139 478 L CA -0.196 54.673 54.840 0.049 0.000 0.933 478 L CB 0.401 42.505 42.059 0.075 0.000 1.266 478 L HN 0.621 nan 8.230 nan 0.000 0.471 479 L N 3.836 125.034 121.223 -0.042 0.000 2.044 479 L HA 0.074 4.447 4.340 0.056 0.000 0.205 479 L C 0.746 177.569 176.870 -0.078 0.000 1.075 479 L CA 1.694 56.459 54.840 -0.125 0.000 0.747 479 L CB -0.169 41.700 42.059 -0.317 0.000 0.903 479 L HN 0.533 nan 8.230 nan 0.000 0.435 480 K N -1.291 119.099 120.400 -0.016 0.000 2.546 480 K HA 0.649 5.002 4.320 0.056 0.000 0.264 480 K C -1.944 174.734 176.600 0.130 0.000 0.937 480 K CA -0.272 56.051 56.287 0.060 0.000 0.833 480 K CB 2.022 34.580 32.500 0.098 0.000 1.378 480 K HN 0.050 nan 8.250 nan 0.000 0.432 481 A N 1.207 124.072 122.820 0.075 0.000 2.549 481 A HA 0.898 5.252 4.320 0.056 0.000 0.297 481 A C -0.880 176.547 177.584 -0.260 0.000 1.061 481 A CA -0.092 51.929 52.037 -0.026 0.000 0.690 481 A CB 1.970 20.999 19.000 0.049 0.000 1.287 481 A HN 0.851 nan 8.150 nan 0.000 0.402 482 G N 0.620 108.986 108.800 -0.724 0.000 2.490 482 G HA2 0.620 4.613 3.960 0.056 0.000 0.308 482 G HA3 0.620 4.613 3.960 0.056 0.000 0.308 482 G C -1.802 172.650 174.900 -0.746 0.000 1.286 482 G CA -0.780 43.878 45.100 -0.735 0.000 0.825 482 G HN 0.682 nan 8.290 nan 0.000 0.479 483 R N -0.158 120.118 120.500 -0.373 0.000 2.750 483 R HA 0.591 4.964 4.340 0.056 0.000 0.281 483 R C -1.392 174.959 176.300 0.084 0.000 0.972 483 R CA -0.884 55.151 56.100 -0.109 0.000 0.912 483 R CB 2.152 32.372 30.300 -0.133 0.000 1.187 483 R HN 0.508 nan 8.270 nan 0.000 0.464 484 Q N 2.032 121.890 119.800 0.097 0.000 2.348 484 Q HA 0.263 4.636 4.340 0.056 0.000 0.265 484 Q C -0.565 175.435 176.000 0.001 0.000 0.998 484 Q CA -0.709 55.083 55.803 -0.020 0.000 0.831 484 Q CB 1.518 29.978 28.738 -0.463 0.000 1.251 484 Q HN 0.531 nan 8.270 nan 0.000 0.456 485 V N 2.258 122.175 119.914 0.005 0.000 2.811 485 V HA 0.661 4.815 4.120 0.056 0.000 0.302 485 V C -0.241 175.840 176.094 -0.022 0.000 1.063 485 V CA -0.545 61.760 62.300 0.008 0.000 1.088 485 V CB 1.226 33.055 31.823 0.010 0.000 0.982 485 V HN 0.847 nan 8.190 nan 0.000 0.485 486 R N 1.912 122.378 120.500 -0.056 0.000 2.584 486 R HA 0.545 4.918 4.340 0.056 0.000 0.276 486 R C -1.545 174.712 176.300 -0.072 0.000 1.046 486 R CA -0.567 55.487 56.100 -0.077 0.000 0.906 486 R CB 2.350 32.535 30.300 -0.193 0.000 1.215 486 R HN 0.925 nan 8.270 nan 0.000 0.449 487 E N 3.405 123.580 120.200 -0.042 0.000 2.195 487 E HA 0.424 4.807 4.350 0.056 0.000 0.271 487 E C -2.507 174.069 176.600 -0.040 0.000 0.923 487 E CA -2.179 54.200 56.400 -0.035 0.000 0.790 487 E CB 1.590 31.281 29.700 -0.015 0.000 1.155 487 E HN 0.325 nan 8.360 nan 0.000 0.402 488 P HA -0.009 nan 4.420 nan 0.000 0.266 488 P C 0.683 177.969 177.300 -0.024 0.000 1.180 488 P CA 1.376 64.451 63.100 -0.042 0.000 0.765 488 P CB 0.474 32.152 31.700 -0.037 0.000 0.806 489 G N 1.088 109.876 108.800 -0.020 0.000 2.234 489 G HA2 -0.274 3.719 3.960 0.056 0.000 0.260 489 G HA3 -0.274 3.719 3.960 0.056 0.000 0.260 489 G C 0.065 174.968 174.900 0.005 0.000 0.987 489 G CA -0.250 44.846 45.100 -0.007 0.000 0.625 489 G HN 0.608 nan 8.290 nan 0.000 0.532 490 Q N 0.675 120.479 119.800 0.006 0.000 2.361 490 Q HA 0.299 4.672 4.340 0.056 0.000 0.250 490 Q C 0.602 176.632 176.000 0.049 0.000 1.023 490 Q CA -0.512 55.308 55.803 0.027 0.000 0.915 490 Q CB 1.066 29.822 28.738 0.030 0.000 1.238 490 Q HN 0.235 nan 8.270 nan 0.000 0.451 491 D N 1.340 121.772 120.400 0.053 0.000 2.097 491 D HA -0.053 4.620 4.640 0.056 0.000 0.197 491 D C -0.053 176.307 176.300 0.099 0.000 0.984 491 D CA 1.155 55.195 54.000 0.068 0.000 0.826 491 D CB 0.466 41.298 40.800 0.053 0.000 0.973 491 D HN 0.304 nan 8.370 nan 0.000 0.460 492 L N 1.058 122.337 121.223 0.095 0.000 2.441 492 L HA 0.343 4.716 4.340 0.056 0.000 0.270 492 L C -1.131 175.808 176.870 0.116 0.000 0.973 492 L CA -0.624 54.281 54.840 0.108 0.000 0.842 492 L CB 1.712 43.818 42.059 0.077 0.000 1.239 492 L HN -0.192 nan 8.230 nan 0.000 0.406 493 V N 3.200 123.214 119.914 0.166 0.000 2.715 493 V HA 0.773 4.926 4.120 0.056 0.000 0.310 493 V C -0.617 175.590 176.094 0.187 0.000 1.054 493 V CA -0.620 61.769 62.300 0.147 0.000 0.928 493 V CB 1.965 33.870 31.823 0.136 0.000 1.007 493 V HN 0.428 nan 8.190 nan 0.000 0.437 494 V N 4.783 124.777 119.914 0.133 0.000 2.495 494 V HA 0.521 4.674 4.120 0.056 0.000 0.298 494 V C -0.336 175.830 176.094 0.120 0.000 1.031 494 V CA -0.483 61.901 62.300 0.139 0.000 0.871 494 V CB 1.408 33.276 31.823 0.074 0.000 0.988 494 V HN 0.934 nan 8.190 nan 0.000 0.432 495 L N 8.201 129.528 121.223 0.173 0.000 2.272 495 L HA 0.657 5.030 4.340 0.056 0.000 0.289 495 L C -2.380 174.510 176.870 0.035 0.000 1.032 495 L CA -1.576 53.324 54.840 0.101 0.000 0.810 495 L CB 1.637 43.796 42.059 0.166 0.000 1.205 495 L HN 0.420 nan 8.230 nan 0.000 0.422 496 P HA 0.155 nan 4.420 nan 0.000 0.284 496 P C -1.036 176.240 177.300 -0.041 0.000 1.343 496 P CA -0.332 62.758 63.100 -0.016 0.000 0.826 496 P CB 1.040 32.736 31.700 -0.006 0.000 0.956 497 L N 3.671 124.846 121.223 -0.080 0.000 2.264 497 L HA 0.308 4.681 4.340 0.056 0.000 0.287 497 L C 0.121 176.875 176.870 -0.192 0.000 1.039 497 L CA -0.111 54.652 54.840 -0.128 0.000 0.829 497 L CB 0.738 42.701 42.059 -0.161 0.000 1.211 497 L HN 0.161 nan 8.230 nan 0.000 0.427 498 S N 6.034 121.638 115.700 -0.159 0.000 2.498 498 S HA 0.366 4.869 4.470 0.056 0.000 0.281 498 S C 0.061 174.410 174.600 -0.417 0.000 1.265 498 S CA -0.310 57.774 58.200 -0.192 0.000 1.071 498 S CB -0.057 63.094 63.200 -0.082 0.000 0.894 498 S HN 0.344 nan 8.310 nan 0.000 0.491 499 I N 4.627 124.909 120.570 -0.479 0.000 2.331 499 I HA 0.316 4.519 4.170 0.056 0.000 0.292 499 I C 0.998 176.903 176.117 -0.354 0.000 0.998 499 I CA -0.314 60.510 61.300 -0.794 0.000 1.267 499 I CB 0.507 38.159 38.000 -0.580 0.000 1.386 499 I HN 0.603 nan 8.210 nan 0.000 0.476 500 T N 0.269 114.742 114.554 -0.134 0.000 2.910 500 T HA 0.319 4.702 4.350 0.056 0.000 0.287 500 T C 1.201 176.030 174.700 0.216 0.000 1.050 500 T CA -0.163 62.014 62.100 0.128 0.000 1.011 500 T CB 1.485 70.470 68.868 0.195 0.000 1.195 500 T HN 0.647 nan 8.240 nan 0.000 0.540 501 T N -1.660 112.971 114.554 0.128 0.000 2.996 501 T HA -0.101 4.282 4.350 0.056 0.000 0.271 501 T C 1.070 175.837 174.700 0.112 0.000 1.126 501 T CA 1.151 63.313 62.100 0.103 0.000 1.103 501 T CB -0.642 68.275 68.868 0.082 0.000 0.870 501 T HN 0.621 nan 8.240 nan 0.000 0.528 502 D N 0.628 121.099 120.400 0.119 0.000 2.269 502 D HA 0.030 4.704 4.640 0.056 0.000 0.208 502 D C 1.199 177.449 176.300 -0.084 0.000 0.963 502 D CA 0.721 54.720 54.000 -0.001 0.000 0.864 502 D CB -0.243 40.491 40.800 -0.110 0.000 0.936 502 D HN 0.516 nan 8.370 nan 0.000 0.505 503 F N 0.745 120.646 119.950 -0.081 0.000 2.710 503 F HA 0.141 4.700 4.527 0.054 0.000 0.298 503 F C 1.251 177.032 175.800 -0.032 0.000 1.137 503 F CA -0.047 57.896 58.000 -0.096 0.000 1.444 503 F CB 0.065 38.943 39.000 -0.203 0.000 1.111 503 F HN -0.231 nan 8.300 nan 0.000 0.580 504 I N 3.249 123.851 120.570 0.053 0.000 2.421 504 I HA 0.040 4.243 4.170 0.056 0.000 0.291 504 I C -1.828 174.073 176.117 -0.360 0.000 1.089 504 I CA -0.934 60.255 61.300 -0.186 0.000 1.354 504 I CB 0.618 38.459 38.000 -0.266 0.000 1.413 504 I HN -0.074 nan 8.210 nan 0.000 0.513 505 P HA 0.142 nan 4.420 nan 0.000 0.326 505 P C -0.106 177.064 177.300 -0.216 0.000 1.190 505 P CA -0.029 62.743 63.100 -0.548 0.000 1.076 505 P CB 1.303 32.812 31.700 -0.319 0.000 1.454 506 S N -0.588 115.065 115.700 -0.079 0.000 2.714 506 S HA 0.569 5.072 4.470 0.056 0.000 0.284 506 S C -2.154 172.467 174.600 0.036 0.000 1.019 506 S CA -0.754 57.375 58.200 -0.119 0.000 0.856 506 S CB -0.340 62.952 63.200 0.153 0.000 1.075 506 S HN 0.042 nan 8.310 nan 0.000 0.455 507 F N 1.320 121.089 119.950 -0.302 0.000 2.668 507 F HA 0.801 5.363 4.527 0.057 0.000 0.309 507 F C -1.014 174.698 175.800 -0.148 0.000 1.117 507 F CA -1.061 56.867 58.000 -0.120 0.000 0.951 507 F CB 1.154 40.154 39.000 -0.001 0.000 1.323 507 F HN 0.604 nan 8.300 nan 0.000 0.451 508 R N 2.243 122.886 120.500 0.240 0.000 2.532 508 R HA 0.669 5.042 4.340 0.056 0.000 0.295 508 R C -1.790 174.701 176.300 0.318 0.000 0.968 508 R CA -1.181 55.034 56.100 0.192 0.000 0.916 508 R CB 2.171 32.607 30.300 0.227 0.000 1.124 508 R HN 0.683 nan 8.270 nan 0.000 0.463 509 L N 4.088 125.439 121.223 0.213 0.000 2.343 509 L HA 0.437 4.810 4.340 0.056 0.000 0.278 509 L C -1.132 175.805 176.870 0.113 0.000 0.996 509 L CA -0.672 54.301 54.840 0.222 0.000 0.831 509 L CB 1.580 43.763 42.059 0.207 0.000 1.232 509 L HN 0.414 nan 8.230 nan 0.000 0.413 510 V N 5.353 125.356 119.914 0.148 0.000 2.581 510 V HA 0.988 5.141 4.120 0.056 0.000 0.303 510 V C -0.491 175.694 176.094 0.153 0.000 1.041 510 V CA 0.115 62.450 62.300 0.058 0.000 0.907 510 V CB 1.652 33.469 31.823 -0.010 0.000 0.994 510 V HN 1.123 nan 8.190 nan 0.000 0.442 511 A N 5.512 128.385 122.820 0.088 0.000 2.539 511 A HA 0.966 5.320 4.320 0.056 0.000 0.296 511 A C -1.456 176.276 177.584 0.248 0.000 1.073 511 A CA -0.418 51.788 52.037 0.281 0.000 0.700 511 A CB 1.827 21.047 19.000 0.367 0.000 1.296 511 A HN 1.951 nan 8.150 nan 0.000 0.405 512 Y N -0.803 119.630 120.300 0.222 0.000 2.581 512 Y HA 0.772 5.355 4.550 0.055 0.000 0.337 512 Y C -1.203 174.887 175.900 0.316 0.000 1.108 512 Y CA -1.397 56.780 58.100 0.128 0.000 1.033 512 Y CB 0.934 39.421 38.460 0.044 0.000 1.318 512 Y HN 1.081 nan 8.280 nan 0.000 0.459 513 Y N -0.433 119.963 120.300 0.160 0.000 2.598 513 Y HA 0.889 5.472 4.550 0.055 0.000 0.340 513 Y C -0.848 175.027 175.900 -0.041 0.000 1.038 513 Y CA -1.127 56.925 58.100 -0.079 0.000 1.100 513 Y CB 1.877 40.294 38.460 -0.071 0.000 1.281 513 Y HN 0.914 nan 8.280 nan 0.000 0.488 514 T N 2.789 117.335 114.554 -0.012 0.000 2.896 514 T HA 0.787 5.170 4.350 0.056 0.000 0.297 514 T C -1.480 173.192 174.700 -0.048 0.000 1.108 514 T CA -0.607 61.454 62.100 -0.066 0.000 1.004 514 T CB 1.051 69.829 68.868 -0.149 0.000 1.159 514 T HN 1.126 nan 8.240 nan 0.000 0.499 515 L N 0.673 121.871 121.223 -0.042 0.000 2.720 515 L HA 0.761 5.135 4.340 0.056 0.000 0.261 515 L C -1.752 175.080 176.870 -0.063 0.000 1.046 515 L CA -1.367 53.444 54.840 -0.048 0.000 0.886 515 L CB 1.619 43.673 42.059 -0.009 0.000 1.493 515 L HN 0.554 nan 8.230 nan 0.000 0.407 516 I N 1.526 122.059 120.570 -0.060 0.000 2.312 516 I HA 0.702 4.906 4.170 0.056 0.000 0.291 516 I C 0.690 176.758 176.117 -0.081 0.000 1.031 516 I CA 0.349 61.610 61.300 -0.064 0.000 1.293 516 I CB 1.178 39.148 38.000 -0.049 0.000 1.403 516 I HN 0.826 nan 8.210 nan 0.000 0.484 517 G N 3.130 111.867 108.800 -0.105 0.000 3.222 517 G HA2 0.626 4.619 3.960 0.056 0.000 0.263 517 G HA3 0.626 4.619 3.960 0.056 0.000 0.263 517 G C 0.432 175.252 174.900 -0.134 0.000 1.312 517 G CA -0.090 44.909 45.100 -0.169 0.000 0.934 517 G HN 0.781 nan 8.290 nan 0.000 0.577 518 A N -0.931 121.790 122.820 -0.165 0.000 1.346 518 A HA -0.285 4.068 4.320 0.056 0.000 0.222 518 A C 1.701 179.253 177.584 -0.053 0.000 0.346 518 A CA 3.860 55.839 52.037 -0.097 0.000 1.095 518 A CB -1.934 17.019 19.000 -0.079 0.000 1.469 518 A HN 2.455 nan 8.150 nan 0.000 0.722 519 S N -2.766 112.906 115.700 -0.046 0.000 3.078 519 S HA 0.534 5.038 4.470 0.056 0.000 0.248 519 S C 1.612 176.197 174.600 -0.025 0.000 0.857 519 S CA 1.141 59.325 58.200 -0.027 0.000 1.139 519 S CB 0.175 63.363 63.200 -0.021 0.000 1.186 519 S HN 2.662 nan 8.310 nan 0.000 0.567 520 G N 0.927 109.707 108.800 -0.033 0.000 2.136 520 G HA2 -0.276 3.718 3.960 0.056 0.000 0.242 520 G HA3 -0.276 3.718 3.960 0.056 0.000 0.242 520 G C -0.185 174.694 174.900 -0.035 0.000 0.989 520 G CA 0.388 45.470 45.100 -0.030 0.000 0.682 520 G HN 0.813 nan 8.290 nan 0.000 0.522 521 Q N -0.445 119.329 119.800 -0.043 0.000 2.222 521 Q HA 0.728 5.102 4.340 0.056 0.000 0.252 521 Q C 0.425 176.390 176.000 -0.059 0.000 0.926 521 Q CA -0.967 54.809 55.803 -0.044 0.000 0.899 521 Q CB 0.745 29.459 28.738 -0.039 0.000 1.250 521 Q HN 0.362 nan 8.270 nan 0.000 0.441 522 R N 1.801 122.266 120.500 -0.058 0.000 2.438 522 R HA 0.259 4.632 4.340 0.056 0.000 0.287 522 R C -1.107 175.131 176.300 -0.104 0.000 1.077 522 R CA 0.121 56.176 56.100 -0.075 0.000 1.034 522 R CB 0.544 30.806 30.300 -0.065 0.000 0.993 522 R HN 0.749 nan 8.270 nan 0.000 0.459 523 E N 3.163 123.285 120.200 -0.131 0.000 2.234 523 E HA 0.390 4.774 4.350 0.056 0.000 0.266 523 E C -1.515 174.926 176.600 -0.265 0.000 0.877 523 E CA -0.939 55.346 56.400 -0.192 0.000 0.758 523 E CB 1.633 31.249 29.700 -0.139 0.000 1.170 523 E HN 0.357 nan 8.360 nan 0.000 0.415 524 V N 4.460 124.082 119.914 -0.486 0.000 2.435 524 V HA 0.406 4.559 4.120 0.056 0.000 0.290 524 V C -0.561 175.270 176.094 -0.438 0.000 1.030 524 V CA -0.688 61.286 62.300 -0.544 0.000 0.881 524 V CB 1.663 32.937 31.823 -0.914 0.000 0.983 524 V HN 0.543 nan 8.190 nan 0.000 0.445 525 V N 4.145 123.811 119.914 -0.412 0.000 2.483 525 V HA 0.852 5.005 4.120 0.056 0.000 0.297 525 V C 0.142 176.072 176.094 -0.274 0.000 1.027 525 V CA -0.424 61.631 62.300 -0.409 0.000 0.855 525 V CB 1.533 32.827 31.823 -0.882 0.000 0.995 525 V HN 0.994 nan 8.190 nan 0.000 0.424 526 A N 3.447 126.217 122.820 -0.083 0.000 2.380 526 A HA 0.929 5.283 4.320 0.056 0.000 0.315 526 A C -1.166 176.289 177.584 -0.214 0.000 1.101 526 A CA -0.456 51.493 52.037 -0.146 0.000 0.771 526 A CB 1.976 20.784 19.000 -0.320 0.000 1.287 526 A HN 0.757 nan 8.150 nan 0.000 0.436 527 D N -0.864 119.420 120.400 -0.195 0.000 2.570 527 D HA 0.720 5.393 4.640 0.056 0.000 0.244 527 D C -0.604 175.601 176.300 -0.158 0.000 1.178 527 D CA 0.425 54.313 54.000 -0.187 0.000 0.881 527 D CB 2.159 42.851 40.800 -0.181 0.000 1.453 527 D HN 0.829 nan 8.370 nan 0.000 0.447 528 S N -0.110 115.525 115.700 -0.108 0.000 2.607 528 S HA 0.785 5.289 4.470 0.056 0.000 0.273 528 S C -1.721 172.851 174.600 -0.047 0.000 1.148 528 S CA -0.738 57.422 58.200 -0.068 0.000 0.833 528 S CB 1.599 64.786 63.200 -0.023 0.000 1.130 528 S HN 0.485 nan 8.310 nan 0.000 0.470 529 V N 1.349 121.242 119.914 -0.035 0.000 2.888 529 V HA 0.744 4.898 4.120 0.056 0.000 0.309 529 V C -2.014 174.085 176.094 0.009 0.000 1.114 529 V CA -0.668 61.611 62.300 -0.035 0.000 0.940 529 V CB 2.056 33.794 31.823 -0.143 0.000 1.021 529 V HN 1.057 nan 8.190 nan 0.000 0.426 530 W N 6.005 127.218 121.300 -0.144 0.000 2.433 530 W HA 0.750 5.443 4.660 0.054 0.000 0.315 530 W C -1.355 174.979 176.519 -0.307 0.000 1.087 530 W CA -0.448 56.782 57.345 -0.193 0.000 1.205 530 W CB 1.672 31.064 29.460 -0.113 0.000 1.288 530 W HN 0.445 nan 8.180 nan 0.000 0.504 531 V N 6.629 125.662 119.914 -1.467 0.000 2.443 531 V HA 0.110 4.263 4.120 0.056 0.000 0.293 531 V C -0.432 174.627 176.094 -1.725 0.000 1.021 531 V CA -0.795 60.640 62.300 -1.441 0.000 0.848 531 V CB 1.243 32.175 31.823 -1.484 0.000 0.998 531 V HN 0.496 nan 8.190 nan 0.000 0.424 532 D N 3.501 123.043 120.400 -1.431 0.000 2.389 532 D HA 0.389 5.062 4.640 0.056 0.000 0.247 532 D C -0.526 175.493 176.300 -0.469 0.000 1.128 532 D CA 0.364 53.824 54.000 -0.900 0.000 0.884 532 D CB 1.612 42.169 40.800 -0.405 0.000 1.194 532 D HN 0.275 nan 8.370 nan 0.000 0.441 533 V N 3.734 123.464 119.914 -0.308 0.000 2.604 533 V HA 0.223 4.377 4.120 0.056 0.000 0.305 533 V C 0.091 176.081 176.094 -0.172 0.000 1.043 533 V CA -1.161 61.035 62.300 -0.174 0.000 0.888 533 V CB 1.753 33.540 31.823 -0.059 0.000 0.995 533 V HN 0.508 nan 8.190 nan 0.000 0.429 534 K N 3.035 123.355 120.400 -0.135 0.000 2.511 534 K HA -0.007 4.346 4.320 0.056 0.000 0.280 534 K C -0.136 176.371 176.600 -0.156 0.000 1.008 534 K CA 0.335 56.551 56.287 -0.118 0.000 1.050 534 K CB 0.039 32.490 32.500 -0.082 0.000 0.889 534 K HN 0.654 nan 8.250 nan 0.000 0.484 535 D N 1.814 122.120 120.400 -0.157 0.000 2.443 535 D HA 0.187 4.860 4.640 0.056 0.000 0.239 535 D C -0.397 175.868 176.300 -0.057 0.000 1.136 535 D CA 0.771 54.653 54.000 -0.196 0.000 0.879 535 D CB 0.634 41.389 40.800 -0.075 0.000 1.195 535 D HN 0.680 nan 8.370 nan 0.000 0.443 536 S N 0.337 116.050 115.700 0.021 0.000 2.671 536 S HA 0.345 4.849 4.470 0.056 0.000 0.270 536 S C -0.779 174.017 174.600 0.326 0.000 1.166 536 S CA -0.993 57.290 58.200 0.139 0.000 0.868 536 S CB 0.159 63.393 63.200 0.056 0.000 1.190 536 S HN 0.475 nan 8.310 nan 0.000 0.494 537 C N 0.958 120.388 119.300 0.216 0.000 2.500 537 C HA 0.535 5.028 4.460 0.056 0.000 0.367 537 C C 2.341 177.454 174.990 0.205 0.000 1.283 537 C CA -0.168 58.978 59.018 0.214 0.000 2.456 537 C CB 0.654 28.445 27.740 0.086 0.000 2.457 537 C HN 0.658 nan 8.230 nan 0.000 0.632 538 V N 2.105 122.148 119.914 0.216 0.000 2.323 538 V HA 0.052 4.205 4.120 0.056 0.000 0.244 538 V C 1.721 177.874 176.094 0.099 0.000 1.041 538 V CA 2.337 64.735 62.300 0.163 0.000 1.025 538 V CB -1.202 30.726 31.823 0.175 0.000 0.656 538 V HN 1.079 nan 8.190 nan 0.000 0.451 539 G N -0.366 108.481 108.800 0.078 0.000 3.137 539 G HA2 0.491 4.484 3.960 0.056 0.000 0.163 539 G HA3 0.491 4.484 3.960 0.056 0.000 0.163 539 G C -0.303 174.626 174.900 0.048 0.000 1.602 539 G CA 0.556 45.689 45.100 0.056 0.000 1.067 539 G HN 0.649 nan 8.290 nan 0.000 0.568 540 S N -1.812 113.909 115.700 0.036 0.000 2.552 540 S HA 0.610 5.114 4.470 0.056 0.000 0.272 540 S C -1.662 172.950 174.600 0.020 0.000 1.150 540 S CA -0.631 57.586 58.200 0.028 0.000 0.849 540 S CB 1.929 65.146 63.200 0.028 0.000 1.113 540 S HN 1.140 nan 8.310 nan 0.000 0.458 541 L N 1.388 122.618 121.223 0.012 0.000 2.614 541 L HA 0.787 5.160 4.340 0.056 0.000 0.264 541 L C -1.961 174.913 176.870 0.006 0.000 0.940 541 L CA -0.187 54.658 54.840 0.008 0.000 0.903 541 L CB 1.842 43.899 42.059 -0.003 0.000 1.306 541 L HN 0.784 nan 8.230 nan 0.000 0.410 542 V N 4.972 124.892 119.914 0.011 0.000 2.709 542 V HA 0.660 4.813 4.120 0.056 0.000 0.308 542 V C -0.721 175.380 176.094 0.013 0.000 1.062 542 V CA -0.777 61.529 62.300 0.010 0.000 0.901 542 V CB 2.230 34.059 31.823 0.011 0.000 1.003 542 V HN 0.455 nan 8.190 nan 0.000 0.425 543 V N 5.414 125.335 119.914 0.013 0.000 2.459 543 V HA 0.694 4.848 4.120 0.056 0.000 0.295 543 V C 0.013 176.116 176.094 0.016 0.000 1.029 543 V CA -0.526 61.784 62.300 0.016 0.000 0.874 543 V CB 1.486 33.321 31.823 0.019 0.000 0.985 543 V HN 1.040 nan 8.190 nan 0.000 0.438 544 K N 1.712 122.122 120.400 0.017 0.000 2.367 544 K HA 0.610 4.963 4.320 0.056 0.000 0.272 544 K C -0.607 176.003 176.600 0.017 0.000 1.046 544 K CA -0.690 55.607 56.287 0.017 0.000 0.895 544 K CB 1.778 34.286 32.500 0.014 0.000 1.512 544 K HN 0.441 nan 8.250 nan 0.000 0.433 545 S N -0.508 115.202 115.700 0.017 0.000 2.565 545 S HA 0.439 4.942 4.470 0.056 0.000 0.274 545 S C 0.291 174.899 174.600 0.014 0.000 1.309 545 S CA -0.007 58.203 58.200 0.016 0.000 1.043 545 S CB 0.160 63.370 63.200 0.017 0.000 0.939 545 S HN 0.687 nan 8.310 nan 0.000 0.504 553 P HA 0.201 nan 4.420 nan 0.000 0.271 553 P C -0.930 176.368 177.300 -0.004 0.000 1.233 553 P CA -0.403 62.700 63.100 0.005 0.000 0.789 553 P CB 0.706 32.413 31.700 0.011 0.000 0.951 554 V N 2.170 122.078 119.914 -0.009 0.000 2.667 554 V HA 0.295 4.448 4.120 0.056 0.000 0.308 554 V C -2.165 173.919 176.094 -0.016 0.000 1.048 554 V CA -1.994 60.294 62.300 -0.020 0.000 0.928 554 V CB 1.448 33.259 31.823 -0.020 0.000 1.004 554 V HN 0.590 nan 8.190 nan 0.000 0.444 555 P HA 0.169 nan 4.420 nan 0.000 0.261 555 P C 0.796 178.088 177.300 -0.013 0.000 1.173 555 P CA 1.623 64.712 63.100 -0.017 0.000 0.760 555 P CB 0.293 31.978 31.700 -0.026 0.000 0.783 556 G N 1.719 110.515 108.800 -0.007 0.000 2.199 556 G HA2 -0.292 3.702 3.960 0.056 0.000 0.254 556 G HA3 -0.292 3.702 3.960 0.056 0.000 0.254 556 G C 0.272 175.170 174.900 -0.004 0.000 0.982 556 G CA 0.170 45.266 45.100 -0.006 0.000 0.632 556 G HN 0.714 nan 8.290 nan 0.000 0.529 557 Q N 0.813 120.611 119.800 -0.004 0.000 2.332 557 Q HA 0.420 4.794 4.340 0.056 0.000 0.263 557 Q C 0.610 176.611 176.000 0.001 0.000 0.979 557 Q CA -0.194 55.608 55.803 -0.002 0.000 0.885 557 Q CB 0.407 29.144 28.738 -0.002 0.000 1.218 557 Q HN 0.544 nan 8.270 nan 0.000 0.405 558 Q N 4.177 123.978 119.800 0.001 0.000 2.332 558 Q HA 0.292 4.665 4.340 0.056 0.000 0.263 558 Q C -1.040 174.963 176.000 0.005 0.000 0.979 558 Q CA -0.005 55.800 55.803 0.003 0.000 0.885 558 Q CB 0.518 29.258 28.738 0.003 0.000 1.218 558 Q HN 0.720 nan 8.270 nan 0.000 0.405 559 M N 0.866 120.470 119.600 0.008 0.000 2.575 559 M HA 0.503 5.016 4.480 0.056 0.000 0.284 559 M C -1.343 174.964 176.300 0.010 0.000 1.253 559 M CA -0.775 54.531 55.300 0.009 0.000 0.861 559 M CB 2.374 34.981 32.600 0.012 0.000 1.733 559 M HN 0.269 nan 8.290 nan 0.000 0.462 560 T N 2.764 117.325 114.554 0.011 0.000 2.767 560 T HA 0.612 4.995 4.350 0.056 0.000 0.288 560 T C -0.931 173.778 174.700 0.014 0.000 0.963 560 T CA -0.453 61.654 62.100 0.011 0.000 1.019 560 T CB 0.866 69.740 68.868 0.010 0.000 0.923 560 T HN 0.553 nan 8.240 nan 0.000 0.468 561 L N 3.700 124.932 121.223 0.015 0.000 2.322 561 L HA 0.594 4.967 4.340 0.056 0.000 0.279 561 L C -0.097 176.783 176.870 0.017 0.000 1.036 561 L CA -0.377 54.474 54.840 0.017 0.000 0.807 561 L CB 1.192 43.263 42.059 0.019 0.000 1.226 561 L HN 0.470 nan 8.230 nan 0.000 0.433 562 K N 4.968 125.378 120.400 0.017 0.000 2.425 562 K HA 0.580 4.934 4.320 0.056 0.000 0.259 562 K C -1.491 175.120 176.600 0.018 0.000 0.978 562 K CA -0.313 55.984 56.287 0.016 0.000 0.883 562 K CB 0.738 33.246 32.500 0.014 0.000 1.110 562 K HN 0.593 nan 8.250 nan 0.000 0.436 563 I N 4.273 124.855 120.570 0.020 0.000 2.355 563 I HA 0.230 4.433 4.170 0.056 0.000 0.288 563 I C -0.544 175.587 176.117 0.023 0.000 0.999 563 I CA -0.533 60.781 61.300 0.022 0.000 1.163 563 I CB 1.697 39.712 38.000 0.025 0.000 1.316 563 I HN 0.518 nan 8.210 nan 0.000 0.454 564 E N 5.299 125.513 120.200 0.022 0.000 2.165 564 E HA 0.748 5.131 4.350 0.056 0.000 0.266 564 E C -0.124 176.492 176.600 0.026 0.000 0.889 564 E CA -0.672 55.742 56.400 0.023 0.000 0.756 564 E CB 2.514 32.225 29.700 0.019 0.000 1.131 564 E HN 0.778 nan 8.360 nan 0.000 0.411 565 G N 2.215 111.036 108.800 0.034 0.000 2.561 565 G HA2 0.147 4.141 3.960 0.056 0.000 0.310 565 G HA3 0.147 4.141 3.960 0.056 0.000 0.310 565 G C -1.398 173.534 174.900 0.053 0.000 1.292 565 G CA -0.794 44.329 45.100 0.037 0.000 0.811 565 G HN 0.402 nan 8.290 nan 0.000 0.482 566 D N 0.480 120.913 120.400 0.054 0.000 2.345 566 D HA 0.267 4.940 4.640 0.056 0.000 0.247 566 D C -0.073 176.289 176.300 0.104 0.000 1.108 566 D CA 0.156 54.199 54.000 0.073 0.000 0.894 566 D CB 1.329 42.161 40.800 0.054 0.000 1.203 566 D HN 0.355 nan 8.370 nan 0.000 0.430 567 H N 0.170 119.250 119.070 0.017 0.000 2.964 567 H HA 0.241 4.831 4.556 0.055 0.000 0.328 567 H C 1.372 176.710 175.328 0.017 0.000 1.030 567 H CA 1.167 57.224 56.048 0.016 0.000 1.445 567 H CB 0.345 30.116 29.762 0.014 0.000 1.449 567 H HN 0.666 nan 8.280 nan 0.000 0.581 568 G N 2.388 110.967 108.800 -0.367 0.000 2.176 568 G HA2 -0.214 3.779 3.960 0.056 0.000 0.253 568 G HA3 -0.214 3.779 3.960 0.056 0.000 0.253 568 G C 0.425 175.258 174.900 -0.111 0.000 0.979 568 G CA 0.305 45.209 45.100 -0.326 0.000 0.641 568 G HN 0.996 nan 8.290 nan 0.000 0.530 569 A N -0.094 122.701 122.820 -0.042 0.000 2.351 569 A HA 0.740 5.094 4.320 0.056 0.000 0.257 569 A C 0.641 178.230 177.584 0.010 0.000 1.087 569 A CA 0.543 52.577 52.037 -0.004 0.000 0.798 569 A CB 0.397 19.406 19.000 0.015 0.000 1.033 569 A HN 0.980 nan 8.150 nan 0.000 0.488 570 R N 1.763 122.277 120.500 0.023 0.000 2.229 570 R HA 0.525 4.898 4.340 0.056 0.000 0.328 570 R C -1.594 174.738 176.300 0.053 0.000 1.009 570 R CA -0.283 55.837 56.100 0.033 0.000 0.864 570 R CB 0.736 31.057 30.300 0.035 0.000 1.085 570 R HN 0.434 nan 8.270 nan 0.000 0.453 571 V N 6.076 126.019 119.914 0.048 0.000 2.398 571 V HA 0.364 4.518 4.120 0.056 0.000 0.286 571 V C -0.090 176.043 176.094 0.065 0.000 1.026 571 V CA -0.775 61.558 62.300 0.056 0.000 0.868 571 V CB 1.419 33.267 31.823 0.041 0.000 0.982 571 V HN 0.652 nan 8.190 nan 0.000 0.443 572 V N 4.091 124.062 119.914 0.095 0.000 2.513 572 V HA 0.777 4.931 4.120 0.056 0.000 0.299 572 V C -0.686 175.463 176.094 0.091 0.000 1.035 572 V CA -0.654 61.704 62.300 0.097 0.000 0.889 572 V CB 1.565 33.470 31.823 0.138 0.000 0.988 572 V HN 0.667 nan 8.190 nan 0.000 0.440 573 L N 4.810 126.075 121.223 0.070 0.000 2.341 573 L HA 0.949 5.323 4.340 0.056 0.000 0.267 573 L C -0.560 176.350 176.870 0.067 0.000 1.009 573 L CA -0.992 53.886 54.840 0.063 0.000 0.819 573 L CB 2.251 44.338 42.059 0.046 0.000 1.323 573 L HN 0.721 nan 8.230 nan 0.000 0.425 574 V N -0.976 118.981 119.914 0.072 0.000 3.007 574 V HA 0.936 5.089 4.120 0.056 0.000 0.311 574 V C -0.499 175.635 176.094 0.067 0.000 1.120 574 V CA -0.871 61.471 62.300 0.069 0.000 0.980 574 V CB 1.691 33.566 31.823 0.087 0.000 1.033 574 V HN 0.832 nan 8.190 nan 0.000 0.429 575 A N 2.110 124.962 122.820 0.054 0.000 2.318 575 A HA 0.906 5.259 4.320 0.056 0.000 0.317 575 A C -0.820 176.787 177.584 0.038 0.000 1.159 575 A CA -0.654 51.415 52.037 0.053 0.000 0.799 575 A CB 1.518 20.542 19.000 0.040 0.000 1.194 575 A HN 1.147 nan 8.150 nan 0.000 0.479 576 V N 2.457 122.400 119.914 0.047 0.000 2.588 576 V HA 0.269 4.423 4.120 0.056 0.000 0.304 576 V C -0.377 175.679 176.094 -0.062 0.000 1.042 576 V CA -0.873 61.404 62.300 -0.039 0.000 0.877 576 V CB 1.905 33.684 31.823 -0.073 0.000 0.996 576 V HN 0.962 nan 8.190 nan 0.000 0.425 577 D N 3.384 123.711 120.400 -0.122 0.000 2.434 577 D HA 0.032 4.705 4.640 0.056 0.000 0.252 577 D C 1.099 177.284 176.300 -0.191 0.000 1.185 577 D CA 0.294 54.235 54.000 -0.099 0.000 0.886 577 D CB 0.993 41.742 40.800 -0.084 0.000 1.148 577 D HN 0.505 nan 8.370 nan 0.000 0.483 578 K N 2.301 122.681 120.400 -0.034 0.000 2.360 578 K HA -0.113 4.241 4.320 0.056 0.000 0.201 578 K C 1.782 178.359 176.600 -0.039 0.000 1.046 578 K CA 0.817 57.140 56.287 0.060 0.000 0.940 578 K CB 0.025 32.625 32.500 0.166 0.000 0.748 578 K HN 0.544 nan 8.250 nan 0.000 0.465 579 G N 0.648 109.395 108.800 -0.087 0.000 2.448 579 G HA2 -0.193 3.800 3.960 0.056 0.000 0.219 579 G HA3 -0.193 3.800 3.960 0.056 0.000 0.219 579 G C 1.459 176.241 174.900 -0.196 0.000 1.127 579 G CA 0.395 45.434 45.100 -0.102 0.000 0.766 579 G HN 0.102 nan 8.290 nan 0.000 0.552 580 V N 0.599 120.306 119.914 -0.346 0.000 2.332 580 V HA -0.155 3.998 4.120 0.056 0.000 0.248 580 V C 2.456 178.312 176.094 -0.396 0.000 1.055 580 V CA 1.570 63.586 62.300 -0.473 0.000 1.038 580 V CB -0.613 30.809 31.823 -0.669 0.000 0.651 580 V HN 0.355 nan 8.190 nan 0.000 0.450 581 F N -0.502 119.387 119.950 -0.101 0.000 2.407 581 F HA -0.026 4.537 4.527 0.061 0.000 0.299 581 F C 2.191 177.931 175.800 -0.099 0.000 1.097 581 F CA 0.402 58.350 58.000 -0.087 0.000 1.422 581 F CB -1.258 37.708 39.000 -0.056 0.000 1.067 581 F HN -0.038 nan 8.300 nan 0.000 0.539 582 V N 0.132 120.050 119.914 0.008 0.000 2.626 582 V HA -0.239 3.915 4.120 0.056 0.000 0.252 582 V C 2.209 178.240 176.094 -0.104 0.000 1.067 582 V CA 1.478 63.739 62.300 -0.066 0.000 1.081 582 V CB -0.529 31.216 31.823 -0.130 0.000 0.686 582 V HN 0.348 nan 8.190 nan 0.000 0.468 583 L N -0.866 120.269 121.223 -0.146 0.000 2.298 583 L HA 0.230 4.603 4.340 0.056 0.000 0.209 583 L C 0.827 177.621 176.870 -0.128 0.000 1.084 583 L CA 0.589 55.319 54.840 -0.185 0.000 0.816 583 L CB 0.151 42.000 42.059 -0.349 0.000 0.967 583 L HN 0.370 nan 8.230 nan 0.000 0.460 584 N N 0.160 118.813 118.700 -0.078 0.000 2.777 584 N HA 0.072 4.845 4.740 0.056 0.000 0.260 584 N C -0.839 174.726 175.510 0.090 0.000 1.113 584 N CA -0.136 52.907 53.050 -0.013 0.000 0.996 584 N CB 1.356 39.819 38.487 -0.039 0.000 1.584 584 N HN 0.110 nan 8.380 nan 0.000 0.573 585 K N 1.201 121.659 120.400 0.097 0.000 2.506 585 K HA 0.343 4.696 4.320 0.056 0.000 0.204 585 K C -0.157 176.485 176.600 0.069 0.000 1.045 585 K CA -0.394 55.968 56.287 0.126 0.000 1.074 585 K CB 0.659 33.189 32.500 0.050 0.000 0.842 585 K HN 0.187 nan 8.250 nan 0.000 0.514 586 K N 1.348 121.795 120.400 0.079 0.000 2.090 586 K HA 0.252 4.605 4.320 0.056 0.000 0.249 586 K C -0.094 176.565 176.600 0.099 0.000 0.995 586 K CA -0.819 55.510 56.287 0.069 0.000 0.914 586 K CB 0.451 32.989 32.500 0.062 0.000 1.057 586 K HN 0.088 nan 8.250 nan 0.000 0.462 587 N N 0.513 119.267 118.700 0.091 0.000 2.741 587 N HA -0.174 4.600 4.740 0.056 0.000 0.250 587 N C -1.135 174.448 175.510 0.121 0.000 1.115 587 N CA 1.018 54.138 53.050 0.116 0.000 0.724 587 N CB -1.131 37.447 38.487 0.152 0.000 1.090 587 N HN 0.524 nan 8.380 nan 0.000 0.558 588 K N 0.456 120.905 120.400 0.082 0.000 2.144 588 K HA 0.361 4.714 4.320 0.056 0.000 0.270 588 K C 0.304 176.924 176.600 0.033 0.000 1.005 588 K CA -0.752 55.573 56.287 0.064 0.000 0.932 588 K CB 0.981 33.485 32.500 0.006 0.000 1.021 588 K HN -0.027 nan 8.250 nan 0.000 0.462 589 L N 2.796 124.035 121.223 0.028 0.000 2.360 589 L HA 0.188 4.561 4.340 0.056 0.000 0.276 589 L C -0.240 176.572 176.870 -0.096 0.000 1.121 589 L CA 0.781 55.601 54.840 -0.034 0.000 0.845 589 L CB 0.510 42.548 42.059 -0.035 0.000 1.143 589 L HN 0.820 nan 8.230 nan 0.000 0.452 590 T N 0.625 115.097 114.554 -0.136 0.000 2.903 590 T HA 0.303 4.687 4.350 0.056 0.000 0.299 590 T C 0.384 174.949 174.700 -0.225 0.000 1.093 590 T CA -0.614 61.399 62.100 -0.145 0.000 1.002 590 T CB 1.489 70.304 68.868 -0.087 0.000 1.127 590 T HN 0.468 nan 8.240 nan 0.000 0.488 591 Q N 1.379 121.054 119.800 -0.209 0.000 2.167 591 Q HA -0.058 4.315 4.340 0.056 0.000 0.202 591 Q C 2.350 178.231 176.000 -0.200 0.000 0.970 591 Q CA 2.295 57.929 55.803 -0.281 0.000 0.855 591 Q CB -0.543 28.097 28.738 -0.164 0.000 0.911 591 Q HN 0.853 nan 8.270 nan 0.000 0.438 592 S N -0.477 115.205 115.700 -0.029 0.000 2.383 592 S HA -0.148 4.355 4.470 0.056 0.000 0.227 592 S C 1.740 176.365 174.600 0.041 0.000 1.026 592 S CA 1.094 59.349 58.200 0.092 0.000 0.981 592 S CB -0.190 63.058 63.200 0.079 0.000 0.818 592 S HN 0.392 nan 8.310 nan 0.000 0.472 593 K N 0.537 120.910 120.400 -0.045 0.000 2.097 593 K HA 0.072 4.426 4.320 0.056 0.000 0.206 593 K C 2.037 178.574 176.600 -0.106 0.000 1.049 593 K CA 1.545 57.807 56.287 -0.043 0.000 0.933 593 K CB -0.370 32.103 32.500 -0.045 0.000 0.717 593 K HN 0.466 nan 8.250 nan 0.000 0.442 594 I N -0.500 119.873 120.570 -0.329 0.000 2.179 594 I HA -0.269 3.935 4.170 0.056 0.000 0.242 594 I C 1.938 177.851 176.117 -0.340 0.000 1.088 594 I CA 1.490 62.455 61.300 -0.559 0.000 1.357 594 I CB -0.302 37.065 38.000 -1.054 0.000 1.051 594 I HN 0.316 nan 8.210 nan 0.000 0.409 595 W N 1.251 122.487 121.300 -0.107 0.000 2.374 595 W HA -0.200 4.488 4.660 0.046 0.000 0.288 595 W C 2.214 178.730 176.519 -0.005 0.000 1.218 595 W CA 0.263 57.584 57.345 -0.039 0.000 1.245 595 W CB -0.380 29.069 29.460 -0.019 0.000 1.126 595 W HN 0.141 nan 8.180 nan 0.000 0.545 596 D N 0.026 120.544 120.400 0.197 0.000 2.144 596 D HA -0.162 4.511 4.640 0.056 0.000 0.199 596 D C 2.234 178.605 176.300 0.119 0.000 0.984 596 D CA 1.333 55.416 54.000 0.138 0.000 0.834 596 D CB -0.793 40.064 40.800 0.096 0.000 0.955 596 D HN 0.019 nan 8.370 nan 0.000 0.465 597 V N 0.552 120.516 119.914 0.083 0.000 2.358 597 V HA -0.183 3.970 4.120 0.056 0.000 0.246 597 V C 2.596 178.704 176.094 0.023 0.000 1.047 597 V CA 0.935 63.268 62.300 0.056 0.000 1.035 597 V CB -0.322 31.528 31.823 0.045 0.000 0.658 597 V HN 0.065 nan 8.190 nan 0.000 0.452 598 V N -0.284 119.643 119.914 0.022 0.000 2.307 598 V HA -0.189 3.964 4.120 0.056 0.000 0.245 598 V C 2.563 178.816 176.094 0.266 0.000 1.045 598 V CA 1.789 64.200 62.300 0.185 0.000 1.024 598 V CB -0.594 31.439 31.823 0.349 0.000 0.651 598 V HN 0.559 nan 8.190 nan 0.000 0.449 599 E N 0.101 120.445 120.200 0.240 0.000 2.110 599 E HA -0.197 4.186 4.350 0.056 0.000 0.193 599 E C 2.217 178.910 176.600 0.154 0.000 0.988 599 E CA 0.874 57.394 56.400 0.200 0.000 0.804 599 E CB -0.244 29.557 29.700 0.170 0.000 0.745 599 E HN 0.470 nan 8.360 nan 0.000 0.458 600 K N 0.357 120.844 120.400 0.145 0.000 2.280 600 K HA -0.033 4.320 4.320 0.056 0.000 0.202 600 K C 1.632 178.324 176.600 0.153 0.000 1.047 600 K CA 0.773 57.135 56.287 0.125 0.000 0.942 600 K CB -0.052 32.520 32.500 0.119 0.000 0.739 600 K HN 0.036 nan 8.250 nan 0.000 0.457 601 A N 1.166 124.117 122.820 0.218 0.000 2.307 601 A HA 0.015 4.369 4.320 0.056 0.000 0.218 601 A C -0.043 177.652 177.584 0.185 0.000 1.228 601 A CA -0.333 51.850 52.037 0.244 0.000 0.857 601 A CB -0.239 19.019 19.000 0.430 0.000 0.897 601 A HN 0.126 nan 8.150 nan 0.000 0.495 602 D N 0.288 120.787 120.400 0.165 0.000 2.493 602 D HA 0.118 4.791 4.640 0.056 0.000 0.240 602 D C 1.471 177.833 176.300 0.104 0.000 1.142 602 D CA 0.548 54.635 54.000 0.145 0.000 0.872 602 D CB 0.437 41.318 40.800 0.135 0.000 1.173 602 D HN 0.449 nan 8.370 nan 0.000 0.467 603 I N 0.722 121.349 120.570 0.094 0.000 3.030 603 I HA 0.289 4.492 4.170 0.056 0.000 0.270 603 I C 1.174 177.341 176.117 0.083 0.000 1.211 603 I CA -0.247 61.095 61.300 0.070 0.000 1.479 603 I CB -0.156 37.873 38.000 0.048 0.000 1.105 603 I HN 0.256 nan 8.210 nan 0.000 0.447 604 G N 0.268 109.131 108.800 0.105 0.000 2.442 604 G HA2 0.295 4.289 3.960 0.056 0.000 0.249 604 G HA3 0.295 4.289 3.960 0.056 0.000 0.249 604 G C 0.170 175.117 174.900 0.078 0.000 1.263 604 G CA -0.312 44.853 45.100 0.108 0.000 0.846 604 G HN 0.494 nan 8.290 nan 0.000 0.555 605 c N 0.867 119.507 118.600 0.067 0.000 3.392 605 c HA 0.405 5.008 4.570 0.056 0.000 0.301 605 c C 1.295 175.403 174.090 0.030 0.000 1.354 605 c CA 0.334 56.689 56.329 0.044 0.000 1.732 605 c CB -1.225 41.316 42.510 0.052 0.000 2.269 605 c HN 0.977 nan 8.230 nan 0.000 0.673 606 T N -2.675 111.903 114.554 0.040 0.000 2.865 606 T HA 0.450 4.833 4.350 0.056 0.000 0.294 606 T C -2.597 172.112 174.700 0.015 0.000 1.119 606 T CA -0.996 61.128 62.100 0.040 0.000 1.007 606 T CB 1.591 70.528 68.868 0.115 0.000 1.225 606 T HN -0.246 nan 8.240 nan 0.000 0.515 607 P HA 0.324 nan 4.420 nan 0.000 0.233 607 P C 0.691 178.067 177.300 0.126 0.000 1.167 607 P CA 1.019 64.131 63.100 0.021 0.000 0.770 607 P CB -0.206 31.506 31.700 0.020 0.000 0.837 608 G N -2.829 106.055 108.800 0.141 0.000 2.368 608 G HA2 0.332 4.325 3.960 0.056 0.000 0.302 608 G HA3 0.332 4.325 3.960 0.056 0.000 0.302 608 G C -0.497 174.511 174.900 0.180 0.000 1.329 608 G CA -0.060 45.123 45.100 0.138 0.000 0.935 608 G HN 0.085 nan 8.290 nan 0.000 0.590 609 S N -2.426 113.352 115.700 0.130 0.000 3.307 609 S HA 0.390 4.893 4.470 0.056 0.000 0.634 609 S C 0.880 175.533 174.600 0.088 0.000 2.711 609 S CA 2.050 60.333 58.200 0.138 0.000 2.940 609 S CB -1.000 62.365 63.200 0.275 0.000 0.331 609 S HN 3.037 nan 8.310 nan 0.000 1.766 610 G N -0.588 108.191 108.800 -0.035 0.000 2.349 610 G HA2 0.461 4.454 3.960 0.056 0.000 0.294 610 G HA3 0.461 4.454 3.960 0.056 0.000 0.294 610 G C -0.171 174.153 174.900 -0.961 0.000 1.380 610 G CA 0.373 45.178 45.100 -0.491 0.000 0.811 610 G HN 0.675 nan 8.290 nan 0.000 0.519 611 K N -0.699 119.077 120.400 -1.041 0.000 2.057 611 K HA -0.016 4.337 4.320 0.056 0.000 0.207 611 K C 0.479 176.746 176.600 -0.554 0.000 1.049 611 K CA 2.271 58.139 56.287 -0.699 0.000 0.931 611 K CB -0.027 32.254 32.500 -0.366 0.000 0.714 611 K HN 0.675 nan 8.250 nan 0.000 0.440 612 D N -3.171 116.909 120.400 -0.533 0.000 2.825 612 D HA -0.059 4.615 4.640 0.056 0.000 0.327 612 D C 0.776 176.899 176.300 -0.296 0.000 1.277 612 D CA -0.615 52.969 54.000 -0.693 0.000 0.950 612 D CB -0.365 40.144 40.800 -0.485 0.000 1.438 612 D HN -0.011 nan 8.370 nan 0.000 0.526 613 Y N -0.574 119.639 120.300 -0.144 0.000 2.165 613 Y HA 0.080 4.663 4.550 0.056 0.000 0.286 613 Y C 2.163 178.127 175.900 0.107 0.000 1.155 613 Y CA 1.833 59.975 58.100 0.071 0.000 1.164 613 Y CB -1.104 37.369 38.460 0.021 0.000 0.978 613 Y HN 0.398 nan 8.280 nan 0.000 0.513 614 A N 1.524 123.894 122.820 -0.750 0.000 1.877 614 A HA -0.027 4.327 4.320 0.056 0.000 0.216 614 A C 2.544 180.063 177.584 -0.107 0.000 1.186 614 A CA 1.800 53.580 52.037 -0.428 0.000 0.620 614 A CB -1.709 16.941 19.000 -0.585 0.000 0.822 614 A HN 0.638 nan 8.150 nan 0.000 0.443 615 G N -0.433 108.265 108.800 -0.171 0.000 2.442 615 G HA2 -0.149 3.845 3.960 0.056 0.000 0.219 615 G HA3 -0.149 3.845 3.960 0.056 0.000 0.219 615 G C 1.519 176.397 174.900 -0.037 0.000 1.141 615 G CA 1.332 46.367 45.100 -0.108 0.000 0.763 615 G HN 0.316 nan 8.290 nan 0.000 0.554 616 V N 0.532 120.436 119.914 -0.017 0.000 2.219 616 V HA -0.212 3.942 4.120 0.056 0.000 0.248 616 V C 2.498 178.585 176.094 -0.012 0.000 1.053 616 V CA 2.124 64.408 62.300 -0.026 0.000 1.009 616 V CB -0.807 30.971 31.823 -0.075 0.000 0.636 616 V HN 0.332 nan 8.190 nan 0.000 0.445 617 F N 0.846 120.812 119.950 0.027 0.000 2.091 617 F HA -0.262 4.299 4.527 0.056 0.000 0.299 617 F C 2.889 178.725 175.800 0.060 0.000 1.103 617 F CA 2.205 60.237 58.000 0.052 0.000 1.228 617 F CB -0.936 38.096 39.000 0.053 0.000 0.984 617 F HN 0.235 nan 8.300 nan 0.000 0.477 618 S N -0.361 115.478 115.700 0.233 0.000 2.357 618 S HA -0.176 4.327 4.470 0.056 0.000 0.221 618 S C 1.868 176.534 174.600 0.110 0.000 1.031 618 S CA 1.550 59.837 58.200 0.145 0.000 0.982 618 S CB -0.493 62.758 63.200 0.085 0.000 0.853 618 S HN 0.288 nan 8.310 nan 0.000 0.458 619 D N 1.639 122.091 120.400 0.086 0.000 2.265 619 D HA 0.047 4.720 4.640 0.056 0.000 0.208 619 D C 1.662 178.021 176.300 0.099 0.000 0.977 619 D CA 1.171 55.221 54.000 0.082 0.000 0.871 619 D CB -0.333 40.512 40.800 0.075 0.000 0.925 619 D HN 0.584 nan 8.370 nan 0.000 0.485 620 A N -0.573 122.316 122.820 0.115 0.000 2.307 620 A HA 0.460 4.814 4.320 0.056 0.000 0.218 620 A C 1.602 179.275 177.584 0.149 0.000 1.228 620 A CA 0.728 52.845 52.037 0.133 0.000 0.857 620 A CB -0.037 19.040 19.000 0.127 0.000 0.897 620 A HN 0.180 nan 8.150 nan 0.000 0.495 621 G N -1.019 107.863 108.800 0.137 0.000 2.137 621 G HA2 -0.198 3.795 3.960 0.056 0.000 0.237 621 G HA3 -0.198 3.795 3.960 0.056 0.000 0.237 621 G C -0.104 174.885 174.900 0.149 0.000 1.002 621 G CA 0.438 45.614 45.100 0.127 0.000 0.702 621 G HN 0.473 nan 8.290 nan 0.000 0.515 622 L N 0.823 122.165 121.223 0.197 0.000 2.342 622 L HA 0.728 5.102 4.340 0.056 0.000 0.271 622 L C 0.975 177.964 176.870 0.198 0.000 1.008 622 L CA -0.572 54.407 54.840 0.231 0.000 0.818 622 L CB 2.121 44.397 42.059 0.361 0.000 1.296 622 L HN 0.310 nan 8.230 nan 0.000 0.427 623 T N -1.168 113.467 114.554 0.136 0.000 2.922 623 T HA 0.591 4.974 4.350 0.056 0.000 0.285 623 T C -0.791 173.905 174.700 -0.007 0.000 1.005 623 T CA -0.432 61.709 62.100 0.068 0.000 1.061 623 T CB 1.515 70.408 68.868 0.042 0.000 1.007 623 T HN 0.331 nan 8.240 nan 0.000 0.502 624 F N 1.067 120.835 119.950 -0.303 0.000 2.556 624 F HA 0.643 5.204 4.527 0.056 0.000 0.314 624 F C -1.012 174.646 175.800 -0.236 0.000 1.106 624 F CA -0.306 57.401 58.000 -0.487 0.000 0.911 624 F CB 2.255 40.576 39.000 -1.133 0.000 1.190 624 F HN 0.847 nan 8.300 nan 0.000 0.448 625 T N 3.371 117.361 114.554 -0.941 0.000 3.105 625 T HA 0.556 4.939 4.350 0.056 0.000 0.321 625 T C -1.191 173.038 174.700 -0.785 0.000 1.135 625 T CA -0.880 60.836 62.100 -0.641 0.000 1.053 625 T CB 1.495 70.205 68.868 -0.263 0.000 1.133 625 T HN 0.679 nan 8.240 nan 0.000 0.463 626 S N 0.392 115.766 115.700 -0.543 0.000 2.634 626 S HA 0.596 5.100 4.470 0.056 0.000 0.296 626 S C 1.358 175.871 174.600 -0.145 0.000 1.104 626 S CA -0.295 57.702 58.200 -0.338 0.000 0.920 626 S CB 1.650 64.701 63.200 -0.248 0.000 1.111 626 S HN 0.726 nan 8.310 nan 0.000 0.493 627 S N 0.807 116.453 115.700 -0.090 0.000 2.442 627 S HA -0.102 4.402 4.470 0.056 0.000 0.236 627 S C 1.419 176.012 174.600 -0.012 0.000 1.007 627 S CA 0.979 59.176 58.200 -0.005 0.000 0.965 627 S CB -0.940 62.316 63.200 0.095 0.000 0.773 627 S HN 1.034 nan 8.310 nan 0.000 0.504 628 S N -0.004 115.674 115.700 -0.037 0.000 2.577 628 S HA 0.562 5.066 4.470 0.056 0.000 0.219 628 S C 1.377 175.972 174.600 -0.009 0.000 0.962 628 S CA 0.063 58.249 58.200 -0.024 0.000 0.921 628 S CB 0.022 63.200 63.200 -0.037 0.000 0.789 628 S HN 1.252 nan 8.310 nan 0.000 0.497 629 G N 0.613 109.407 108.800 -0.010 0.000 2.144 629 G HA2 -0.215 3.778 3.960 0.056 0.000 0.218 629 G HA3 -0.215 3.778 3.960 0.056 0.000 0.218 629 G C -0.294 174.635 174.900 0.049 0.000 0.988 629 G CA -0.483 44.623 45.100 0.009 0.000 0.659 629 G HN 0.502 nan 8.290 nan 0.000 0.522 630 Q N 0.778 120.621 119.800 0.072 0.000 2.295 630 Q HA 0.595 4.968 4.340 0.056 0.000 0.259 630 Q C 0.417 176.563 176.000 0.243 0.000 0.976 630 Q CA 0.373 56.306 55.803 0.216 0.000 0.923 630 Q CB 0.868 29.725 28.738 0.198 0.000 1.185 630 Q HN 0.822 nan 8.270 nan 0.000 0.410 631 Q N -0.245 119.730 119.800 0.291 0.000 2.590 631 Q HA 0.629 5.002 4.340 0.056 0.000 0.295 631 Q C -1.062 175.028 176.000 0.151 0.000 0.973 631 Q CA -1.109 54.810 55.803 0.193 0.000 0.768 631 Q CB 0.842 29.589 28.738 0.016 0.000 1.479 631 Q HN 0.501 nan 8.270 nan 0.000 0.419 632 T N -0.844 113.766 114.554 0.094 0.000 2.899 632 T HA 0.627 5.010 4.350 0.056 0.000 0.295 632 T C 0.535 175.234 174.700 -0.002 0.000 1.033 632 T CA -0.204 61.911 62.100 0.026 0.000 1.084 632 T CB 0.912 69.811 68.868 0.052 0.000 0.979 632 T HN 0.744 nan 8.240 nan 0.000 0.532 633 A N 2.263 125.070 122.820 -0.022 0.000 2.445 633 A HA 0.231 4.584 4.320 0.056 0.000 0.242 633 A C 0.792 178.373 177.584 -0.004 0.000 1.075 633 A CA -0.568 51.457 52.037 -0.020 0.000 0.777 633 A CB -0.082 18.901 19.000 -0.028 0.000 1.013 633 A HN 0.829 nan 8.150 nan 0.000 0.493 634 Q N 0.582 120.373 119.800 -0.014 0.000 2.263 634 Q HA -0.019 4.354 4.340 0.056 0.000 0.289 634 Q C 0.127 176.142 176.000 0.026 0.000 1.061 634 Q CA 0.612 56.409 55.803 -0.010 0.000 0.927 634 Q CB 0.317 29.020 28.738 -0.059 0.000 1.154 634 Q HN 0.638 nan 8.270 nan 0.000 0.378 635 R N 2.326 122.862 120.500 0.060 0.000 2.202 635 R HA 0.334 4.707 4.340 0.056 0.000 0.334 635 R C 0.017 176.410 176.300 0.155 0.000 1.036 635 R CA 0.219 56.368 56.100 0.082 0.000 0.878 635 R CB 0.496 30.839 30.300 0.071 0.000 1.067 635 R HN 0.652 nan 8.270 nan 0.000 0.457 636 A N 4.267 127.178 122.820 0.151 0.000 2.431 636 A HA 0.186 4.540 4.320 0.056 0.000 0.239 636 A C -0.334 177.330 177.584 0.133 0.000 1.230 636 A CA -0.098 52.094 52.037 0.257 0.000 0.928 636 A CB 0.445 19.576 19.000 0.218 0.000 1.006 636 A HN 0.621 nan 8.150 nan 0.000 0.520 637 E N -0.086 120.156 120.200 0.070 0.000 2.191 637 E HA 0.407 4.790 4.350 0.056 0.000 0.278 637 E C 0.235 176.839 176.600 0.007 0.000 0.972 637 E CA -0.462 55.959 56.400 0.034 0.000 0.804 637 E CB 1.722 31.443 29.700 0.036 0.000 1.110 637 E HN 0.273 nan 8.360 nan 0.000 0.394 638 L N 0.699 121.915 121.223 -0.011 0.000 2.270 638 L HA -0.041 4.332 4.340 0.056 0.000 0.210 638 L C 0.893 177.762 176.870 -0.002 0.000 1.104 638 L CA 0.825 55.650 54.840 -0.024 0.000 0.804 638 L CB 0.179 42.214 42.059 -0.039 0.000 0.937 638 L HN 0.253 nan 8.230 nan 0.000 0.450 639 Q N -1.127 118.679 119.800 0.010 0.000 2.297 639 Q HA 0.282 4.656 4.340 0.056 0.000 0.269 639 Q C -0.507 175.510 176.000 0.027 0.000 1.051 639 Q CA -0.587 55.228 55.803 0.021 0.000 0.869 639 Q CB 2.131 30.881 28.738 0.020 0.000 1.346 639 Q HN 0.074 nan 8.270 nan 0.000 0.457 640 c N 2.036 120.655 118.600 0.033 0.000 2.700 640 c HA 0.240 4.843 4.570 0.056 0.000 0.397 640 c C -1.640 172.470 174.090 0.032 0.000 1.301 640 c CA -0.600 55.751 56.329 0.035 0.000 2.219 640 c CB -0.849 41.683 42.510 0.037 0.000 2.699 640 c HN 0.600 nan 8.230 nan 0.000 0.669 641 P HA 0.207 nan 4.420 nan 0.000 0.268 641 P C -0.711 176.607 177.300 0.029 0.000 1.205 641 P CA 0.067 63.186 63.100 0.032 0.000 0.771 641 P CB 0.384 32.106 31.700 0.037 0.000 0.858 642 Q N 2.792 122.608 119.800 0.026 0.000 2.259 642 Q HA 0.400 4.773 4.340 0.056 0.000 0.246 642 Q C -1.785 174.230 176.000 0.025 0.000 0.920 642 Q CA -1.323 54.494 55.803 0.023 0.000 0.895 642 Q CB -0.109 28.641 28.738 0.020 0.000 1.220 642 Q HN 0.374 nan 8.270 nan 0.000 0.439 643 P HA 0.000 nan 4.420 nan 0.000 0.216 643 P CA 0.000 63.115 63.100 0.025 0.000 0.800 643 P CB 0.000 31.716 31.700 0.026 0.000 0.726