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 1h8e_1_A DATA FIRST_RESID 19 DATA SEQUENCE ADTSVDLEET GRVLSIGDGI ARVHGLRNVQ AEEMVEFSSG LKGMSLNLEP DATA SEQUENCE DNVGVVVFGN DKLIKEGDIV KRTGAIVDVP VGEELLGRVV DALGNAIDGK DATA SEQUENCE GPIGSKARRR VGLKAPGIIP RISVREPMQT GIKAVDSLVP IGRGQRELII DATA SEQUENCE GDRQTGKTSI AIDTIINQKR FNDGTDEKKK LYCIYVAIGQ KRSTVAQLVK DATA SEQUENCE RLTDADAMKY TIVVSATASD AAPLQYLAPY SGCSMGEYFR DNGKHALIIY DATA SEQUENCE DDLSKQAVAY RQMSLLLRRP PGREAYPGDV FYLHSRLLER AAKMNDAFGG DATA SEQUENCE GSLTALPVIE TQAGDVSAYI PTNVISITDG QIFLETELFY KGIRPAINVG DATA SEQUENCE LSVSRVGSAA QTRAMKQVAG TMKLELAQYR EVAAFXXXXX XLDAATQQLL DATA SEQUENCE SRGVRLTELL KQGQYSPMAI EEQVAVIYAG VRGYLDKLEP SKITKFENAF DATA SEQUENCE LSHVISQHQA LLGKIRTDGK ISEESDAKLK EIVTNFLAGF EA 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 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.586 177.584 0.003 0.000 1.274 19 A CA 0.000 52.039 52.037 0.003 0.000 0.836 19 A CB 0.000 19.001 19.000 0.002 0.000 0.831 20 D N -0.016 120.385 120.400 0.003 0.000 2.182 20 D HA -0.161 4.479 4.640 -0.000 0.000 0.193 20 D C 1.799 178.101 176.300 0.004 0.000 0.999 20 D CA 2.639 56.641 54.000 0.003 0.000 0.850 20 D CB -0.395 40.406 40.800 0.003 0.000 0.994 20 D HN 0.374 nan 8.370 nan 0.000 0.450 21 T N 0.126 114.683 114.554 0.004 0.000 2.788 21 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 21 T C 1.075 175.779 174.700 0.007 0.000 1.044 21 T CA 0.971 63.074 62.100 0.005 0.000 1.139 21 T CB -0.373 68.497 68.868 0.003 0.000 0.867 21 T HN 0.218 nan 8.240 nan 0.000 0.454 22 S N 0.384 116.089 115.700 0.008 0.000 2.537 22 S HA 0.138 4.608 4.470 -0.000 0.000 0.280 22 S C -0.448 174.159 174.600 0.012 0.000 1.335 22 S CA -0.158 58.048 58.200 0.010 0.000 1.025 22 S CB 0.199 63.403 63.200 0.007 0.000 0.836 22 S HN 0.184 nan 8.310 nan 0.000 0.523 23 V N 2.848 122.771 119.914 0.015 0.000 3.077 23 V HA 0.286 4.406 4.120 -0.000 0.000 0.299 23 V C -1.115 174.988 176.094 0.015 0.000 1.276 23 V CA -0.975 61.335 62.300 0.016 0.000 0.993 23 V CB 2.163 34.001 31.823 0.025 0.000 1.076 23 V HN 0.968 nan 8.190 nan 0.000 0.434 24 D N 3.451 123.856 120.400 0.008 0.000 2.422 24 D HA 0.278 4.918 4.640 -0.000 0.000 0.227 24 D C 0.748 177.047 176.300 -0.002 0.000 1.190 24 D CA -0.077 53.924 54.000 0.001 0.000 0.905 24 D CB 0.764 41.561 40.800 -0.005 0.000 1.034 24 D HN 0.497 nan 8.370 nan 0.000 0.507 25 L N 2.416 123.639 121.223 -0.001 0.000 2.611 25 L HA 0.184 4.524 4.340 -0.000 0.000 0.229 25 L C 1.560 178.406 176.870 -0.040 0.000 1.137 25 L CA 0.002 54.834 54.840 -0.014 0.000 0.901 25 L CB -0.043 42.013 42.059 -0.005 0.000 1.098 25 L HN 0.344 nan 8.230 nan 0.000 0.456 26 E N 0.446 120.628 120.200 -0.030 0.000 2.140 26 E HA -0.055 4.295 4.350 -0.000 0.000 0.191 26 E C 1.194 177.771 176.600 -0.037 0.000 0.973 26 E CA 0.622 57.002 56.400 -0.034 0.000 0.829 26 E CB 0.451 30.135 29.700 -0.025 0.000 0.781 26 E HN 0.412 nan 8.360 nan 0.000 0.466 27 E N 0.302 120.482 120.200 -0.033 0.000 2.490 27 E HA 0.050 4.399 4.350 -0.000 0.000 0.209 27 E C 0.716 177.290 176.600 -0.044 0.000 0.971 27 E CA 0.377 56.755 56.400 -0.037 0.000 0.988 27 E CB 1.251 30.934 29.700 -0.029 0.000 1.029 27 E HN 0.197 nan 8.360 nan 0.000 0.496 28 T N -2.548 111.983 114.554 -0.039 0.000 2.841 28 T HA 0.766 5.116 4.350 -0.000 0.000 0.296 28 T C 0.140 174.823 174.700 -0.030 0.000 1.166 28 T CA -0.435 61.641 62.100 -0.040 0.000 1.007 28 T CB 2.490 71.342 68.868 -0.025 0.000 1.253 28 T HN -0.005 nan 8.240 nan 0.000 0.511 29 G N -0.001 108.785 108.800 -0.024 0.000 2.749 29 G HA2 0.720 4.680 3.960 -0.000 0.000 0.300 29 G HA3 0.720 4.680 3.960 -0.000 0.000 0.300 29 G C -1.766 173.163 174.900 0.047 0.000 1.352 29 G CA -1.081 44.028 45.100 0.015 0.000 0.789 29 G HN 0.816 nan 8.290 nan 0.000 0.509 30 R N -0.850 119.711 120.500 0.102 0.000 2.673 30 R HA 0.540 4.880 4.340 -0.000 0.000 0.281 30 R C -0.907 175.460 176.300 0.112 0.000 0.991 30 R CA -0.661 55.496 56.100 0.095 0.000 0.896 30 R CB 2.652 33.001 30.300 0.081 0.000 1.201 30 R HN 0.354 nan 8.270 nan 0.000 0.457 31 V N 5.429 125.411 119.914 0.112 0.000 2.521 31 V HA 0.006 4.126 4.120 -0.000 0.000 0.286 31 V C 1.289 177.435 176.094 0.086 0.000 1.034 31 V CA 0.459 62.835 62.300 0.126 0.000 1.045 31 V CB 0.915 32.831 31.823 0.154 0.000 0.974 31 V HN 0.751 nan 8.190 nan 0.000 0.480 32 L N 3.785 125.059 121.223 0.084 0.000 2.253 32 L HA 0.176 4.516 4.340 -0.000 0.000 0.205 32 L C 0.846 177.741 176.870 0.042 0.000 1.078 32 L CA 0.734 55.607 54.840 0.055 0.000 0.805 32 L CB 0.286 42.384 42.059 0.066 0.000 0.963 32 L HN 0.856 nan 8.230 nan 0.000 0.459 33 S N -0.923 114.807 115.700 0.049 0.000 2.552 33 S HA 0.612 5.081 4.470 -0.000 0.000 0.272 33 S C -1.152 173.470 174.600 0.036 0.000 1.150 33 S CA -0.801 57.419 58.200 0.034 0.000 0.849 33 S CB 2.514 65.729 63.200 0.025 0.000 1.113 33 S HN 0.007 nan 8.310 nan 0.000 0.458 34 I N 0.314 120.893 120.570 0.016 0.000 2.610 34 I HA 0.856 5.026 4.170 -0.000 0.000 0.289 34 I C -0.526 175.584 176.117 -0.013 0.000 1.163 34 I CA 0.403 61.703 61.300 -0.000 0.000 1.044 34 I CB 1.563 39.551 38.000 -0.021 0.000 1.251 34 I HN 1.389 nan 8.210 nan 0.000 0.424 35 G N 4.620 113.409 108.800 -0.017 0.000 2.633 35 G HA2 0.414 4.374 3.960 -0.000 0.000 0.299 35 G HA3 0.414 4.374 3.960 -0.000 0.000 0.299 35 G C -1.266 173.620 174.900 -0.023 0.000 1.501 35 G CA -0.469 44.619 45.100 -0.020 0.000 0.887 35 G HN 0.712 nan 8.290 nan 0.000 0.561 36 D N 0.024 120.408 120.400 -0.026 0.000 2.708 36 D HA -0.195 4.445 4.640 -0.000 0.000 0.236 36 D C 1.634 177.916 176.300 -0.030 0.000 1.146 36 D CA 2.656 56.639 54.000 -0.028 0.000 0.662 36 D CB -1.153 39.631 40.800 -0.027 0.000 1.059 36 D HN 2.244 nan 8.370 nan 0.000 0.428 37 G N -1.012 107.768 108.800 -0.033 0.000 2.162 37 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.260 37 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.260 37 G C 0.197 175.093 174.900 -0.006 0.000 0.976 37 G CA 0.390 45.473 45.100 -0.028 0.000 0.655 37 G HN 0.483 nan 8.290 nan 0.000 0.533 38 I N 1.081 121.649 120.570 -0.004 0.000 2.355 38 I HA 0.680 4.850 4.170 -0.000 0.000 0.288 38 I C 0.518 176.658 176.117 0.040 0.000 0.999 38 I CA -1.260 60.054 61.300 0.024 0.000 1.163 38 I CB 1.008 39.013 38.000 0.009 0.000 1.316 38 I HN 0.315 nan 8.210 nan 0.000 0.454 39 A N 7.788 130.666 122.820 0.097 0.000 2.276 39 A HA 0.672 4.992 4.320 -0.000 0.000 0.316 39 A C 0.039 177.702 177.584 0.132 0.000 1.229 39 A CA -0.717 51.404 52.037 0.140 0.000 0.851 39 A CB 0.713 19.894 19.000 0.302 0.000 1.165 39 A HN 0.558 nan 8.150 nan 0.000 0.513 40 R N 1.990 122.548 120.500 0.098 0.000 2.229 40 R HA 0.456 4.796 4.340 -0.000 0.000 0.328 40 R C -1.013 175.345 176.300 0.097 0.000 1.009 40 R CA -0.262 55.886 56.100 0.080 0.000 0.864 40 R CB 1.174 31.509 30.300 0.057 0.000 1.085 40 R HN 0.458 nan 8.270 nan 0.000 0.453 41 V N 3.192 123.156 119.914 0.084 0.000 2.555 41 V HA 0.190 4.310 4.120 -0.000 0.000 0.302 41 V C -0.045 176.099 176.094 0.083 0.000 1.038 41 V CA -0.991 61.361 62.300 0.087 0.000 0.887 41 V CB 1.638 33.488 31.823 0.045 0.000 0.991 41 V HN 0.719 nan 8.190 nan 0.000 0.434 42 H N 2.784 121.863 119.070 0.016 0.000 2.548 42 H HA 0.670 5.226 4.556 -0.000 0.000 0.331 42 H C 0.543 175.869 175.328 -0.002 0.000 1.093 42 H CA 1.330 57.382 56.048 0.007 0.000 1.367 42 H CB 1.103 30.870 29.762 0.009 0.000 1.455 42 H HN 1.079 nan 8.280 nan 0.000 0.519 43 G N 2.939 111.432 108.800 -0.513 0.000 2.578 43 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.232 43 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.232 43 G C -0.003 174.801 174.900 -0.159 0.000 1.176 43 G CA -0.398 44.517 45.100 -0.309 0.000 0.968 43 G HN 1.179 nan 8.290 nan 0.000 0.583 44 L N -0.022 121.143 121.223 -0.097 0.000 3.742 44 L HA -0.232 4.108 4.340 -0.000 0.000 0.431 44 L C 2.355 179.180 176.870 -0.074 0.000 1.220 44 L CA 0.811 55.604 54.840 -0.078 0.000 0.863 44 L CB -0.764 41.249 42.059 -0.077 0.000 1.751 44 L HN 0.628 nan 8.230 nan 0.000 0.922 45 R N 0.342 120.796 120.500 -0.078 0.000 2.139 45 R HA -0.133 4.207 4.340 -0.000 0.000 0.243 45 R C 1.379 177.651 176.300 -0.046 0.000 1.145 45 R CA 1.694 57.754 56.100 -0.065 0.000 0.976 45 R CB -0.283 29.980 30.300 -0.061 0.000 0.866 45 R HN 0.595 nan 8.270 nan 0.000 0.449 46 N N -0.148 118.527 118.700 -0.042 0.000 2.280 46 N HA -0.006 4.734 4.740 -0.000 0.000 0.192 46 N C 0.037 175.528 175.510 -0.033 0.000 1.109 46 N CA -0.053 52.978 53.050 -0.033 0.000 0.855 46 N CB 0.399 38.868 38.487 -0.029 0.000 0.974 46 N HN -0.092 nan 8.380 nan 0.000 0.482 47 V N 1.681 121.571 119.914 -0.039 0.000 2.788 47 V HA -0.085 4.035 4.120 -0.000 0.000 0.307 47 V C 0.299 176.377 176.094 -0.026 0.000 1.069 47 V CA 0.298 62.575 62.300 -0.039 0.000 1.173 47 V CB 0.593 32.388 31.823 -0.047 0.000 0.925 47 V HN 0.259 nan 8.190 nan 0.000 0.492 48 Q N 3.962 123.749 119.800 -0.022 0.000 2.227 48 Q HA 0.606 4.946 4.340 -0.000 0.000 0.245 48 Q C 0.079 176.076 176.000 -0.003 0.000 0.926 48 Q CA -0.372 55.424 55.803 -0.011 0.000 0.895 48 Q CB 1.379 30.112 28.738 -0.010 0.000 1.230 48 Q HN 0.953 nan 8.270 nan 0.000 0.450 49 A N 2.114 124.937 122.820 0.006 0.000 2.545 49 A HA 0.015 4.335 4.320 -0.000 0.000 0.253 49 A C 0.169 177.767 177.584 0.024 0.000 1.074 49 A CA 0.464 52.512 52.037 0.018 0.000 0.760 49 A CB -0.388 18.627 19.000 0.025 0.000 1.005 49 A HN 0.973 nan 8.150 nan 0.000 0.506 50 E N -0.360 119.860 120.200 0.034 0.000 4.047 50 E HA -0.186 4.164 4.350 -0.000 0.000 0.340 50 E C 0.210 176.829 176.600 0.032 0.000 0.720 50 E CA 1.102 57.532 56.400 0.051 0.000 1.320 50 E CB -1.428 28.304 29.700 0.053 0.000 1.685 50 E HN 0.974 nan 8.360 nan 0.000 0.416 51 E N 1.054 121.258 120.200 0.006 0.000 2.373 51 E HA 0.207 4.557 4.350 -0.000 0.000 0.267 51 E C -0.015 176.563 176.600 -0.038 0.000 1.032 51 E CA -0.136 56.254 56.400 -0.018 0.000 0.889 51 E CB 0.660 30.342 29.700 -0.029 0.000 0.984 51 E HN 0.050 nan 8.360 nan 0.000 0.425 52 M N 4.293 123.852 119.600 -0.069 0.000 2.211 52 M HA 0.188 4.668 4.480 -0.000 0.000 0.356 52 M C -0.165 176.054 176.300 -0.134 0.000 1.216 52 M CA -0.555 54.667 55.300 -0.130 0.000 1.134 52 M CB 1.168 33.645 32.600 -0.206 0.000 1.564 52 M HN 0.459 nan 8.290 nan 0.000 0.463 53 V N 0.659 120.473 119.914 -0.166 0.000 3.166 53 V HA 0.700 4.819 4.120 -0.000 0.000 0.317 53 V C -0.836 175.112 176.094 -0.244 0.000 1.136 53 V CA -0.867 61.310 62.300 -0.205 0.000 1.035 53 V CB 2.008 33.678 31.823 -0.255 0.000 1.110 53 V HN 0.926 nan 8.190 nan 0.000 0.450 54 E N 0.290 120.338 120.200 -0.255 0.000 2.234 54 E HA 0.546 4.896 4.350 -0.000 0.000 0.266 54 E C -1.752 174.713 176.600 -0.224 0.000 0.877 54 E CA -0.695 55.604 56.400 -0.169 0.000 0.758 54 E CB 1.838 31.493 29.700 -0.075 0.000 1.170 54 E HN 0.605 nan 8.360 nan 0.000 0.415 55 F N 1.460 121.406 119.950 -0.007 0.000 2.370 55 F HA 0.098 4.625 4.527 -0.000 0.000 0.319 55 F C 2.035 177.838 175.800 0.005 0.000 1.129 55 F CA 0.063 58.066 58.000 0.005 0.000 1.109 55 F CB 1.391 40.399 39.000 0.014 0.000 1.262 55 F HN 0.636 nan 8.300 nan 0.000 0.534 56 S N -0.534 115.281 115.700 0.191 0.000 2.387 56 S HA -0.249 4.221 4.470 -0.000 0.000 0.230 56 S C 1.979 176.637 174.600 0.096 0.000 1.035 56 S CA 1.391 59.654 58.200 0.105 0.000 1.014 56 S CB -1.122 62.127 63.200 0.082 0.000 0.836 56 S HN 0.712 nan 8.310 nan 0.000 0.466 57 S N 0.821 116.591 115.700 0.115 0.000 2.507 57 S HA 0.315 4.785 4.470 -0.000 0.000 0.235 57 S C 1.765 176.412 174.600 0.078 0.000 0.988 57 S CA 0.988 59.234 58.200 0.077 0.000 0.944 57 S CB -0.764 62.469 63.200 0.055 0.000 0.762 57 S HN 1.497 nan 8.310 nan 0.000 0.526 58 G N 0.664 109.527 108.800 0.106 0.000 2.284 58 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 58 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 58 G C 0.041 175.007 174.900 0.110 0.000 1.009 58 G CA -0.115 45.035 45.100 0.083 0.000 0.625 58 G HN 0.491 nan 8.290 nan 0.000 0.501 59 L N 1.412 122.720 121.223 0.142 0.000 2.529 59 L HA 0.247 4.587 4.340 -0.000 0.000 0.287 59 L C 0.749 177.792 176.870 0.289 0.000 1.241 59 L CA 0.293 55.235 54.840 0.170 0.000 0.857 59 L CB 0.309 42.421 42.059 0.089 0.000 1.113 59 L HN 0.109 nan 8.230 nan 0.000 0.504 60 K N 1.580 122.100 120.400 0.200 0.000 2.185 60 K HA 0.743 5.063 4.320 -0.000 0.000 0.240 60 K C -0.061 176.646 176.600 0.177 0.000 0.983 60 K CA -0.525 55.809 56.287 0.079 0.000 0.873 60 K CB 1.974 34.349 32.500 -0.208 0.000 1.118 60 K HN 0.752 nan 8.250 nan 0.000 0.441 61 G N 0.169 108.996 108.800 0.045 0.000 2.690 61 G HA2 0.575 4.535 3.960 -0.000 0.000 0.291 61 G HA3 0.575 4.535 3.960 -0.000 0.000 0.291 61 G C -1.612 173.299 174.900 0.019 0.000 1.403 61 G CA -0.694 44.538 45.100 0.219 0.000 0.864 61 G HN 0.442 nan 8.290 nan 0.000 0.480 62 M N 1.075 120.810 119.600 0.225 0.000 2.311 62 M HA 0.490 4.970 4.480 -0.000 0.000 0.325 62 M C -0.383 175.994 176.300 0.129 0.000 1.061 62 M CA -0.585 54.810 55.300 0.159 0.000 0.957 62 M CB 1.681 34.476 32.600 0.326 0.000 1.646 62 M HN 0.329 nan 8.290 nan 0.000 0.434 63 S N 6.080 121.816 115.700 0.060 0.000 3.072 63 S HA 0.219 4.689 4.470 -0.000 0.000 0.306 63 S C 0.984 175.614 174.600 0.050 0.000 1.207 63 S CA -0.378 57.847 58.200 0.042 0.000 1.008 63 S CB -0.392 62.811 63.200 0.005 0.000 1.390 63 S HN 0.723 nan 8.310 nan 0.000 0.523 64 L N 1.428 122.685 121.223 0.057 0.000 2.249 64 L HA 0.150 4.490 4.340 -0.000 0.000 0.207 64 L C 0.247 177.135 176.870 0.030 0.000 1.090 64 L CA 0.538 55.406 54.840 0.046 0.000 0.802 64 L CB -0.065 42.010 42.059 0.026 0.000 0.947 64 L HN 0.351 nan 8.230 nan 0.000 0.453 65 N N 0.566 119.279 118.700 0.022 0.000 2.476 65 N HA 0.386 5.126 4.740 -0.000 0.000 0.257 65 N C -1.066 174.452 175.510 0.013 0.000 0.970 65 N CA -0.081 52.979 53.050 0.015 0.000 0.938 65 N CB 1.351 39.843 38.487 0.008 0.000 1.144 65 N HN -0.013 nan 8.380 nan 0.000 0.500 66 L N 2.214 123.443 121.223 0.011 0.000 2.255 66 L HA 0.419 4.759 4.340 -0.000 0.000 0.289 66 L C 0.358 177.228 176.870 0.001 0.000 1.046 66 L CA -0.289 54.552 54.840 0.002 0.000 0.816 66 L CB 0.724 42.783 42.059 0.001 0.000 1.197 66 L HN 0.388 nan 8.230 nan 0.000 0.427 67 E N 3.693 123.891 120.200 -0.003 0.000 2.299 67 E HA 0.332 4.682 4.350 -0.000 0.000 0.260 67 E C -1.800 174.796 176.600 -0.007 0.000 0.944 67 E CA -1.787 54.612 56.400 -0.001 0.000 0.815 67 E CB 1.719 31.422 29.700 0.005 0.000 1.252 67 E HN 0.277 nan 8.360 nan 0.000 0.418 68 P HA -0.202 nan 4.420 nan 0.000 0.216 68 P C 0.540 177.832 177.300 -0.013 0.000 1.153 68 P CA 1.496 64.591 63.100 -0.007 0.000 0.858 68 P CB 0.149 31.849 31.700 -0.000 0.000 0.789 69 D N -2.087 118.312 120.400 -0.002 0.000 2.431 69 D HA 0.051 4.691 4.640 -0.000 0.000 0.213 69 D C 0.031 176.335 176.300 0.007 0.000 1.130 69 D CA -0.129 53.875 54.000 0.007 0.000 0.834 69 D CB -0.451 40.372 40.800 0.038 0.000 0.985 69 D HN 0.352 nan 8.370 nan 0.000 0.504 70 N N -1.489 117.208 118.700 -0.005 0.000 2.961 70 N HA 0.328 5.068 4.740 -0.000 0.000 0.245 70 N C -2.004 173.505 175.510 -0.003 0.000 1.404 70 N CA -0.937 52.117 53.050 0.006 0.000 0.880 70 N CB 1.658 40.167 38.487 0.037 0.000 1.461 70 N HN -0.216 nan 8.380 nan 0.000 0.510 71 V N 0.037 119.953 119.914 0.004 0.000 2.459 71 V HA 0.770 4.890 4.120 -0.000 0.000 0.295 71 V C 0.612 176.725 176.094 0.030 0.000 1.029 71 V CA -0.564 61.740 62.300 0.006 0.000 0.874 71 V CB 1.295 33.112 31.823 -0.009 0.000 0.985 71 V HN 0.880 nan 8.190 nan 0.000 0.438 72 G N 3.770 112.588 108.800 0.030 0.000 2.350 72 G HA2 0.527 4.487 3.960 -0.000 0.000 0.306 72 G HA3 0.527 4.487 3.960 -0.000 0.000 0.306 72 G C -0.665 174.273 174.900 0.063 0.000 1.094 72 G CA -0.199 44.926 45.100 0.042 0.000 0.953 72 G HN 0.529 nan 8.290 nan 0.000 0.420 73 V N 3.398 123.376 119.914 0.106 0.000 2.483 73 V HA 0.446 4.566 4.120 -0.000 0.000 0.295 73 V C 0.476 176.682 176.094 0.187 0.000 1.035 73 V CA -0.829 61.565 62.300 0.156 0.000 0.896 73 V CB 1.668 33.618 31.823 0.213 0.000 0.986 73 V HN 0.730 nan 8.190 nan 0.000 0.447 74 V N 3.441 123.473 119.914 0.197 0.000 2.432 74 V HA 0.596 4.716 4.120 -0.000 0.000 0.275 74 V C -0.067 176.220 176.094 0.322 0.000 1.043 74 V CA -0.521 61.890 62.300 0.184 0.000 0.925 74 V CB 1.252 33.136 31.823 0.102 0.000 0.985 74 V HN 0.497 nan 8.190 nan 0.000 0.466 75 V N 6.001 126.045 119.914 0.216 0.000 2.488 75 V HA 0.278 4.398 4.120 -0.000 0.000 0.277 75 V C 0.101 176.363 176.094 0.280 0.000 1.046 75 V CA 0.016 62.459 62.300 0.238 0.000 0.986 75 V CB 0.659 32.480 31.823 -0.003 0.000 0.989 75 V HN 0.788 nan 8.190 nan 0.000 0.475 76 F N 4.809 124.805 119.950 0.078 0.000 2.573 76 F HA 0.649 5.176 4.527 -0.000 0.000 0.349 76 F C 0.987 176.809 175.800 0.038 0.000 1.213 76 F CA 0.122 58.164 58.000 0.070 0.000 1.300 76 F CB 0.160 39.217 39.000 0.094 0.000 1.661 76 F HN 0.724 nan 8.300 nan 0.000 0.616 77 G N 0.927 109.797 108.800 0.117 0.000 2.345 77 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.285 77 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.285 77 G C -1.694 173.209 174.900 0.005 0.000 1.297 77 G CA -1.189 43.947 45.100 0.060 0.000 0.875 77 G HN 0.164 nan 8.290 nan 0.000 0.506 78 N N 0.491 119.186 118.700 -0.010 0.000 2.472 78 N HA 0.258 4.998 4.740 -0.000 0.000 0.277 78 N C 0.634 176.107 175.510 -0.060 0.000 1.081 78 N CA -0.268 52.765 53.050 -0.028 0.000 0.973 78 N CB 1.346 39.822 38.487 -0.017 0.000 1.105 78 N HN 0.381 nan 8.380 nan 0.000 0.470 79 D N 2.429 122.787 120.400 -0.070 0.000 2.263 79 D HA -0.208 4.432 4.640 -0.000 0.000 0.208 79 D C 1.533 177.780 176.300 -0.087 0.000 0.971 79 D CA 0.938 54.878 54.000 -0.101 0.000 0.867 79 D CB 0.082 40.837 40.800 -0.076 0.000 0.929 79 D HN 0.759 nan 8.370 nan 0.000 0.492 80 K N 1.080 121.446 120.400 -0.056 0.000 2.286 80 K HA -0.147 4.173 4.320 -0.000 0.000 0.203 80 K C 1.574 178.148 176.600 -0.044 0.000 1.045 80 K CA 0.911 57.174 56.287 -0.041 0.000 0.935 80 K CB -0.293 32.191 32.500 -0.026 0.000 0.737 80 K HN 0.216 nan 8.250 nan 0.000 0.460 81 L N 0.972 122.159 121.223 -0.059 0.000 2.591 81 L HA 0.266 4.606 4.340 -0.000 0.000 0.228 81 L C 0.622 177.454 176.870 -0.062 0.000 1.133 81 L CA -0.094 54.718 54.840 -0.047 0.000 0.880 81 L CB 0.108 42.144 42.059 -0.038 0.000 1.033 81 L HN 0.113 nan 8.230 nan 0.000 0.450 82 I N 0.120 120.625 120.570 -0.107 0.000 2.378 82 I HA 0.272 4.441 4.170 -0.000 0.000 0.291 82 I C -0.221 175.866 176.117 -0.049 0.000 0.992 82 I CA -0.359 60.873 61.300 -0.114 0.000 1.154 82 I CB 1.548 39.366 38.000 -0.303 0.000 1.315 82 I HN -0.021 nan 8.210 nan 0.000 0.448 83 K N 4.313 124.713 120.400 -0.001 0.000 2.350 83 K HA 0.359 4.679 4.320 -0.000 0.000 0.241 83 K C -0.529 176.089 176.600 0.030 0.000 0.994 83 K CA -0.957 55.336 56.287 0.009 0.000 0.839 83 K CB 2.022 34.528 32.500 0.011 0.000 1.244 83 K HN 0.507 nan 8.250 nan 0.000 0.443 84 E N 0.356 120.570 120.200 0.023 0.000 2.529 84 E HA -0.070 4.280 4.350 -0.000 0.000 0.259 84 E C 0.479 177.099 176.600 0.033 0.000 0.966 84 E CA 1.360 57.778 56.400 0.030 0.000 0.937 84 E CB 0.139 29.849 29.700 0.017 0.000 0.923 84 E HN 0.770 nan 8.360 nan 0.000 0.468 85 G N 4.132 112.957 108.800 0.042 0.000 2.241 85 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.244 85 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.244 85 G C -0.207 174.726 174.900 0.054 0.000 0.998 85 G CA 0.129 45.251 45.100 0.037 0.000 0.621 85 G HN 0.659 nan 8.290 nan 0.000 0.519 86 D N 0.975 121.422 120.400 0.078 0.000 2.455 86 D HA 0.397 5.037 4.640 -0.000 0.000 0.241 86 D C 0.950 177.313 176.300 0.104 0.000 1.138 86 D CA 0.025 54.085 54.000 0.100 0.000 0.877 86 D CB 0.681 41.564 40.800 0.139 0.000 1.187 86 D HN 0.268 nan 8.370 nan 0.000 0.451 87 I N 1.892 122.506 120.570 0.073 0.000 2.588 87 I HA 0.028 4.198 4.170 -0.000 0.000 0.283 87 I C 0.234 176.360 176.117 0.015 0.000 1.119 87 I CA 0.102 61.426 61.300 0.040 0.000 1.419 87 I CB 0.728 38.743 38.000 0.025 0.000 1.394 87 I HN 0.019 nan 8.210 nan 0.000 0.562 88 V N 6.583 126.467 119.914 -0.051 0.000 2.680 88 V HA 0.567 4.687 4.120 -0.000 0.000 0.309 88 V C -0.215 175.784 176.094 -0.157 0.000 1.052 88 V CA -0.938 61.245 62.300 -0.195 0.000 0.908 88 V CB 1.896 33.538 31.823 -0.301 0.000 1.001 88 V HN 0.683 nan 8.190 nan 0.000 0.431 89 K N 2.917 123.213 120.400 -0.172 0.000 2.444 89 K HA 0.686 5.006 4.320 -0.000 0.000 0.252 89 K C -0.933 175.593 176.600 -0.124 0.000 0.993 89 K CA -1.058 55.159 56.287 -0.117 0.000 0.847 89 K CB 2.549 35.004 32.500 -0.075 0.000 1.340 89 K HN 0.477 nan 8.250 nan 0.000 0.446 90 R N 0.464 120.909 120.500 -0.091 0.000 2.490 90 R HA 0.188 4.528 4.340 -0.000 0.000 0.278 90 R C 0.340 176.602 176.300 -0.064 0.000 1.069 90 R CA 0.006 56.059 56.100 -0.078 0.000 1.080 90 R CB 0.706 30.969 30.300 -0.061 0.000 1.030 90 R HN 0.909 nan 8.270 nan 0.000 0.491 91 T N -2.755 111.763 114.554 -0.060 0.000 3.253 91 T HA 0.196 4.546 4.350 -0.000 0.000 0.299 91 T C 1.006 175.683 174.700 -0.040 0.000 0.927 91 T CA 0.116 62.187 62.100 -0.048 0.000 0.926 91 T CB 0.781 69.619 68.868 -0.051 0.000 1.183 91 T HN 0.813 nan 8.240 nan 0.000 0.557 92 G N 1.601 110.377 108.800 -0.040 0.000 2.143 92 G HA2 0.019 3.978 3.960 -0.000 0.000 0.248 92 G HA3 0.019 3.978 3.960 -0.000 0.000 0.248 92 G C 0.360 175.240 174.900 -0.034 0.000 0.991 92 G CA -0.069 45.011 45.100 -0.032 0.000 0.689 92 G HN 1.355 nan 8.290 nan 0.000 0.522 93 A N 0.103 122.897 122.820 -0.044 0.000 2.425 93 A HA 0.635 4.955 4.320 -0.000 0.000 0.249 93 A C 0.524 178.084 177.584 -0.039 0.000 1.084 93 A CA 0.122 52.132 52.037 -0.045 0.000 0.781 93 A CB 0.348 19.309 19.000 -0.064 0.000 1.019 93 A HN 0.659 nan 8.150 nan 0.000 0.490 94 I N 2.486 123.037 120.570 -0.031 0.000 2.412 94 I HA 0.227 4.397 4.170 -0.000 0.000 0.296 94 I C -0.034 176.070 176.117 -0.022 0.000 0.987 94 I CA -0.761 60.525 61.300 -0.023 0.000 1.180 94 I CB 1.369 39.360 38.000 -0.015 0.000 1.340 94 I HN 0.255 nan 8.210 nan 0.000 0.455 95 V N 6.452 126.356 119.914 -0.016 0.000 2.313 95 V HA 0.166 4.286 4.120 -0.000 0.000 0.252 95 V C -0.171 175.928 176.094 0.008 0.000 1.112 95 V CA -0.205 62.093 62.300 -0.004 0.000 0.984 95 V CB -0.237 31.593 31.823 0.013 0.000 1.157 95 V HN 0.868 nan 8.190 nan 0.000 0.493 96 D N 3.833 124.239 120.400 0.010 0.000 2.559 96 D HA 0.698 5.338 4.640 -0.000 0.000 0.250 96 D C -0.479 175.834 176.300 0.021 0.000 1.135 96 D CA -0.653 53.355 54.000 0.014 0.000 0.955 96 D CB 2.305 43.109 40.800 0.005 0.000 1.442 96 D HN 0.315 nan 8.370 nan 0.000 0.471 97 V N -4.797 115.129 119.914 0.020 0.000 3.040 97 V HA 0.781 4.901 4.120 -0.000 0.000 0.312 97 V C -2.823 173.269 176.094 -0.004 0.000 1.115 97 V CA -2.401 59.910 62.300 0.017 0.000 0.998 97 V CB 1.774 33.616 31.823 0.032 0.000 1.042 97 V HN 0.592 nan 8.190 nan 0.000 0.433 98 P HA 0.362 nan 4.420 nan 0.000 0.271 98 P C -0.497 176.757 177.300 -0.076 0.000 1.216 98 P CA 0.181 63.253 63.100 -0.046 0.000 0.776 98 P CB 1.276 32.951 31.700 -0.042 0.000 0.881 99 V N -1.194 118.631 119.914 -0.148 0.000 3.160 99 V HA 1.012 5.132 4.120 -0.000 0.000 0.310 99 V C -0.126 175.633 176.094 -0.558 0.000 1.181 99 V CA -0.323 61.818 62.300 -0.264 0.000 1.047 99 V CB 1.388 33.100 31.823 -0.184 0.000 1.068 99 V HN 1.011 nan 8.190 nan 0.000 0.441 100 G N 0.857 109.035 108.800 -1.038 0.000 2.381 100 G HA2 0.014 3.974 3.960 -0.000 0.000 0.672 100 G HA3 0.014 3.974 3.960 -0.000 0.000 0.672 100 G C -0.254 174.233 174.900 -0.687 0.000 1.324 100 G CA -0.001 44.264 45.100 -1.392 0.000 0.975 100 G HN 0.977 nan 8.290 nan 0.000 0.593 101 E N -0.181 119.754 120.200 -0.443 0.000 2.409 101 E HA -0.039 4.311 4.350 -0.000 0.000 0.198 101 E C 1.863 178.447 176.600 -0.027 0.000 1.024 101 E CA 1.252 57.612 56.400 -0.068 0.000 0.861 101 E CB 0.079 29.791 29.700 0.020 0.000 0.788 101 E HN 0.524 nan 8.360 nan 0.000 0.521 102 E N 0.296 120.439 120.200 -0.095 0.000 2.338 102 E HA -0.112 4.238 4.350 -0.000 0.000 0.197 102 E C 1.506 178.096 176.600 -0.018 0.000 1.007 102 E CA 0.544 56.916 56.400 -0.047 0.000 0.849 102 E CB 0.018 29.677 29.700 -0.069 0.000 0.774 102 E HN 0.264 nan 8.360 nan 0.000 0.506 103 L N 0.029 121.242 121.223 -0.016 0.000 2.418 103 L HA 0.079 4.419 4.340 -0.000 0.000 0.218 103 L C 0.349 177.258 176.870 0.065 0.000 1.125 103 L CA -0.156 54.697 54.840 0.021 0.000 0.835 103 L CB -0.060 42.012 42.059 0.022 0.000 0.953 103 L HN 0.079 nan 8.230 nan 0.000 0.454 104 L N 0.402 121.687 121.223 0.102 0.000 2.540 104 L HA 0.057 4.397 4.340 -0.000 0.000 0.276 104 L C 1.423 178.334 176.870 0.068 0.000 1.212 104 L CA 0.833 55.747 54.840 0.123 0.000 0.893 104 L CB -0.024 42.145 42.059 0.185 0.000 1.138 104 L HN 0.361 nan 8.230 nan 0.000 0.491 105 G N 1.839 110.660 108.800 0.036 0.000 2.199 105 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.254 105 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.254 105 G C 0.310 175.211 174.900 0.002 0.000 0.982 105 G CA -0.414 44.687 45.100 0.002 0.000 0.632 105 G HN 0.477 nan 8.290 nan 0.000 0.529 106 R N -0.143 120.367 120.500 0.017 0.000 2.598 106 R HA 0.700 5.040 4.340 -0.000 0.000 0.279 106 R C -0.286 176.027 176.300 0.021 0.000 0.984 106 R CA -0.732 55.377 56.100 0.016 0.000 0.999 106 R CB 1.648 31.960 30.300 0.019 0.000 1.114 106 R HN 0.228 nan 8.270 nan 0.000 0.493 107 V N 2.628 122.554 119.914 0.019 0.000 2.357 107 V HA 0.375 4.495 4.120 -0.000 0.000 0.284 107 V C 0.216 176.329 176.094 0.032 0.000 1.018 107 V CA -0.767 61.550 62.300 0.029 0.000 0.841 107 V CB 1.420 33.256 31.823 0.022 0.000 0.991 107 V HN 0.600 nan 8.190 nan 0.000 0.437 108 V N 1.349 121.287 119.914 0.041 0.000 3.046 108 V HA 0.814 4.934 4.120 -0.000 0.000 0.316 108 V C -0.243 175.879 176.094 0.047 0.000 1.104 108 V CA -0.847 61.477 62.300 0.040 0.000 1.006 108 V CB 2.078 33.923 31.823 0.038 0.000 1.058 108 V HN 0.786 nan 8.190 nan 0.000 0.440 109 D N 2.159 122.588 120.400 0.048 0.000 2.440 109 D HA 0.429 5.069 4.640 -0.000 0.000 0.269 109 D C 1.259 177.595 176.300 0.059 0.000 1.249 109 D CA 0.159 54.191 54.000 0.053 0.000 1.055 109 D CB 0.861 41.695 40.800 0.056 0.000 1.104 109 D HN 0.835 nan 8.370 nan 0.000 0.561 110 A N -0.821 122.039 122.820 0.066 0.000 2.019 110 A HA -0.036 4.284 4.320 -0.000 0.000 0.219 110 A C 2.082 179.719 177.584 0.088 0.000 1.164 110 A CA 0.963 53.043 52.037 0.072 0.000 0.644 110 A CB -0.745 18.299 19.000 0.074 0.000 0.805 110 A HN 0.515 nan 8.150 nan 0.000 0.449 111 L N -1.465 119.816 121.223 0.096 0.000 2.741 111 L HA 0.322 4.662 4.340 -0.000 0.000 0.237 111 L C 1.416 178.322 176.870 0.061 0.000 1.178 111 L CA 0.367 55.262 54.840 0.092 0.000 0.973 111 L CB -0.036 42.090 42.059 0.112 0.000 1.255 111 L HN 0.501 nan 8.230 nan 0.000 0.498 112 G N -0.137 108.694 108.800 0.052 0.000 2.143 112 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.249 112 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.249 112 G C 0.114 175.032 174.900 0.030 0.000 0.981 112 G CA -0.292 44.829 45.100 0.036 0.000 0.665 112 G HN 0.403 nan 8.290 nan 0.000 0.528 113 N N 0.974 119.696 118.700 0.037 0.000 2.530 113 N HA 0.509 5.249 4.740 -0.000 0.000 0.273 113 N C 0.608 176.135 175.510 0.029 0.000 1.173 113 N CA 0.629 53.698 53.050 0.031 0.000 0.967 113 N CB 1.288 39.798 38.487 0.038 0.000 1.109 113 N HN 0.679 nan 8.380 nan 0.000 0.453 114 A N 1.936 124.769 122.820 0.022 0.000 2.450 114 A HA 0.265 4.585 4.320 -0.000 0.000 0.255 114 A C 1.220 178.816 177.584 0.022 0.000 1.096 114 A CA -0.225 51.824 52.037 0.020 0.000 0.778 114 A CB -0.486 18.523 19.000 0.014 0.000 1.031 114 A HN 0.811 nan 8.150 nan 0.000 0.494 115 I N -0.900 119.683 120.570 0.023 0.000 4.050 115 I HA 0.269 4.439 4.170 -0.000 0.000 0.327 115 I C 0.144 176.271 176.117 0.017 0.000 1.473 115 I CA -0.119 61.194 61.300 0.022 0.000 1.124 115 I CB 0.544 38.560 38.000 0.028 0.000 1.129 115 I HN 0.422 nan 8.210 nan 0.000 0.428 116 D N 0.964 121.372 120.400 0.013 0.000 2.349 116 D HA 0.186 4.826 4.640 -0.000 0.000 0.214 116 D C 1.686 177.989 176.300 0.005 0.000 1.063 116 D CA 0.467 54.471 54.000 0.007 0.000 0.847 116 D CB 0.139 40.941 40.800 0.004 0.000 0.933 116 D HN 0.407 nan 8.370 nan 0.000 0.513 117 G N 0.976 109.781 108.800 0.007 0.000 2.155 117 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.257 117 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.257 117 G C 0.686 175.589 174.900 0.004 0.000 0.983 117 G CA 0.433 45.537 45.100 0.006 0.000 0.676 117 G HN 0.467 nan 8.290 nan 0.000 0.528 118 K N 0.484 120.886 120.400 0.004 0.000 2.500 118 K HA 0.459 4.779 4.320 -0.000 0.000 0.206 118 K C 1.435 178.037 176.600 0.003 0.000 1.034 118 K CA 0.256 56.545 56.287 0.003 0.000 1.179 118 K CB 0.314 32.814 32.500 0.002 0.000 0.884 118 K HN 1.375 nan 8.250 nan 0.000 0.493 119 G N 2.410 111.212 108.800 0.004 0.000 2.725 119 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 119 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 119 G C -2.676 172.226 174.900 0.004 0.000 1.357 119 G CA -1.250 43.852 45.100 0.004 0.000 0.866 119 G HN 0.055 nan 8.290 nan 0.000 0.548 120 P HA 0.346 nan 4.420 nan 0.000 0.266 120 P C 0.435 177.734 177.300 -0.003 0.000 1.195 120 P CA -0.354 62.746 63.100 0.000 0.000 0.768 120 P CB 0.351 32.050 31.700 -0.002 0.000 0.838 121 I N 2.261 122.828 120.570 -0.005 0.000 2.471 121 I HA 0.102 4.272 4.170 -0.000 0.000 0.286 121 I C 1.479 177.585 176.117 -0.019 0.000 1.079 121 I CA 0.365 61.658 61.300 -0.012 0.000 1.398 121 I CB 0.196 38.187 38.000 -0.015 0.000 1.403 121 I HN 0.473 nan 8.210 nan 0.000 0.530 122 G N 4.848 113.634 108.800 -0.022 0.000 3.939 122 G HA2 0.191 4.151 3.960 -0.000 0.000 0.268 122 G HA3 0.191 4.151 3.960 -0.000 0.000 0.268 122 G C 0.598 175.475 174.900 -0.038 0.000 1.172 122 G CA -0.275 44.811 45.100 -0.023 0.000 1.614 122 G HN 0.689 nan 8.290 nan 0.000 0.639 123 S N 0.109 115.780 115.700 -0.048 0.000 2.593 123 S HA 0.330 4.800 4.470 -0.000 0.000 0.269 123 S C 0.918 175.481 174.600 -0.062 0.000 1.334 123 S CA -0.381 57.774 58.200 -0.075 0.000 1.015 123 S CB 1.277 64.419 63.200 -0.097 0.000 0.912 123 S HN 0.512 nan 8.310 nan 0.000 0.541 124 K N 0.685 121.041 120.400 -0.074 0.000 2.592 124 K HA 0.563 4.883 4.320 -0.000 0.000 0.203 124 K C -0.265 176.307 176.600 -0.048 0.000 1.070 124 K CA -0.489 55.769 56.287 -0.049 0.000 1.062 124 K CB 0.471 32.949 32.500 -0.036 0.000 0.814 124 K HN 0.667 nan 8.250 nan 0.000 0.502 125 A N 1.306 124.083 122.820 -0.071 0.000 2.574 125 A HA 0.732 5.052 4.320 -0.000 0.000 0.297 125 A C -1.373 176.177 177.584 -0.058 0.000 1.062 125 A CA -0.910 51.096 52.037 -0.050 0.000 0.686 125 A CB 1.460 20.442 19.000 -0.031 0.000 1.285 125 A HN 0.266 nan 8.150 nan 0.000 0.403 126 R N 0.050 120.533 120.500 -0.028 0.000 2.837 126 R HA 0.798 5.138 4.340 -0.000 0.000 0.271 126 R C -0.665 175.635 176.300 -0.001 0.000 0.993 126 R CA -0.856 55.232 56.100 -0.020 0.000 0.931 126 R CB 2.779 33.071 30.300 -0.014 0.000 1.206 126 R HN 0.793 nan 8.270 nan 0.000 0.474 127 R N 1.050 121.553 120.500 0.005 0.000 2.626 127 R HA 0.357 4.697 4.340 -0.000 0.000 0.274 127 R C -0.980 175.332 176.300 0.019 0.000 1.031 127 R CA -0.805 55.306 56.100 0.019 0.000 0.898 127 R CB 1.884 32.204 30.300 0.034 0.000 1.222 127 R HN 0.535 nan 8.270 nan 0.000 0.455 128 R N 1.099 121.608 120.500 0.017 0.000 2.643 128 R HA 0.030 4.370 4.340 -0.000 0.000 0.270 128 R C 1.450 177.760 176.300 0.018 0.000 1.061 128 R CA 0.303 56.409 56.100 0.011 0.000 1.107 128 R CB 0.912 31.214 30.300 0.003 0.000 0.999 128 R HN 0.581 nan 8.270 nan 0.000 0.460 129 V N 0.011 119.932 119.914 0.013 0.000 2.649 129 V HA 0.172 4.292 4.120 -0.000 0.000 0.248 129 V C 0.836 176.923 176.094 -0.011 0.000 1.054 129 V CA 1.282 63.599 62.300 0.027 0.000 1.073 129 V CB -0.115 31.733 31.823 0.042 0.000 0.699 129 V HN 0.692 nan 8.190 nan 0.000 0.463 130 G N 1.428 110.189 108.800 -0.065 0.000 2.504 130 G HA2 0.644 4.604 3.960 -0.000 0.000 0.326 130 G HA3 0.644 4.604 3.960 -0.000 0.000 0.326 130 G C -0.984 173.883 174.900 -0.054 0.000 1.073 130 G CA -0.370 44.659 45.100 -0.120 0.000 1.030 130 G HN 0.352 nan 8.290 nan 0.000 0.448 131 L N 1.420 122.627 121.223 -0.028 0.000 2.409 131 L HA 0.472 4.812 4.340 -0.000 0.000 0.262 131 L C 0.099 176.970 176.870 0.002 0.000 0.992 131 L CA -1.104 53.733 54.840 -0.005 0.000 0.817 131 L CB 2.927 44.993 42.059 0.012 0.000 1.350 131 L HN 0.320 nan 8.230 nan 0.000 0.411 132 K N 1.167 121.571 120.400 0.007 0.000 2.295 132 K HA 0.453 4.773 4.320 -0.000 0.000 0.270 132 K C -0.008 176.600 176.600 0.014 0.000 1.011 132 K CA -0.319 55.977 56.287 0.015 0.000 0.953 132 K CB 1.283 33.794 32.500 0.019 0.000 0.956 132 K HN 0.664 nan 8.250 nan 0.000 0.477 133 A N 4.019 126.850 122.820 0.018 0.000 2.406 133 A HA 0.237 4.557 4.320 -0.000 0.000 0.243 133 A C -2.106 175.469 177.584 -0.016 0.000 1.082 133 A CA -1.079 50.963 52.037 0.008 0.000 0.786 133 A CB -0.497 18.513 19.000 0.016 0.000 1.029 133 A HN 0.449 nan 8.150 nan 0.000 0.495 134 P HA 0.231 nan 4.420 nan 0.000 0.265 134 P C 0.664 177.918 177.300 -0.077 0.000 1.193 134 P CA 0.565 63.609 63.100 -0.094 0.000 0.765 134 P CB 0.520 32.138 31.700 -0.136 0.000 0.823 135 G N 2.024 110.773 108.800 -0.086 0.000 2.516 135 G HA2 0.086 4.046 3.960 -0.000 0.000 0.276 135 G HA3 0.086 4.046 3.960 -0.000 0.000 0.276 135 G C 1.066 175.925 174.900 -0.067 0.000 1.390 135 G CA -0.533 44.533 45.100 -0.056 0.000 1.050 135 G HN 0.364 nan 8.290 nan 0.000 0.519 136 I N 0.113 120.658 120.570 -0.042 0.000 2.286 136 I HA -0.102 4.068 4.170 -0.000 0.000 0.248 136 I C 2.621 178.711 176.117 -0.045 0.000 1.115 136 I CA 0.887 62.167 61.300 -0.033 0.000 1.392 136 I CB -0.886 37.105 38.000 -0.014 0.000 1.065 136 I HN 0.261 nan 8.210 nan 0.000 0.418 137 I N 1.810 122.347 120.570 -0.055 0.000 2.193 137 I HA -0.096 4.074 4.170 -0.000 0.000 0.240 137 I C -0.363 175.706 176.117 -0.080 0.000 1.084 137 I CA 1.241 62.515 61.300 -0.043 0.000 1.365 137 I CB -2.842 35.153 38.000 -0.009 0.000 1.064 137 I HN 0.171 nan 8.210 nan 0.000 0.410 138 P HA -0.010 nan 4.420 nan 0.000 0.259 138 P C 0.297 177.456 177.300 -0.235 0.000 1.307 138 P CA 0.576 63.425 63.100 -0.418 0.000 0.768 138 P CB -0.027 30.934 31.700 -1.232 0.000 1.199 139 R N -0.304 120.128 120.500 -0.113 0.000 2.828 139 R HA 0.768 5.108 4.340 -0.000 0.000 0.264 139 R C -0.256 176.037 176.300 -0.011 0.000 1.022 139 R CA -0.937 55.129 56.100 -0.057 0.000 1.021 139 R CB 1.931 32.200 30.300 -0.053 0.000 1.163 139 R HN 0.008 nan 8.270 nan 0.000 0.494 140 I N 0.010 120.582 120.570 0.003 0.000 2.894 140 I HA 0.230 4.400 4.170 -0.000 0.000 0.302 140 I C -0.424 175.698 176.117 0.009 0.000 1.188 140 I CA -0.675 60.633 61.300 0.013 0.000 1.014 140 I CB 2.371 40.386 38.000 0.026 0.000 1.242 140 I HN 0.842 nan 8.210 nan 0.000 0.430 141 S N 4.430 120.134 115.700 0.008 0.000 2.558 141 S HA 0.138 4.608 4.470 -0.000 0.000 0.291 141 S C -0.192 174.410 174.600 0.003 0.000 1.306 141 S CA -0.667 57.536 58.200 0.004 0.000 1.056 141 S CB 0.695 63.897 63.200 0.004 0.000 0.836 141 S HN 0.383 nan 8.310 nan 0.000 0.504 142 V N 4.292 124.206 119.914 -0.000 0.000 2.529 142 V HA 0.203 4.323 4.120 -0.000 0.000 0.292 142 V C 1.249 177.335 176.094 -0.013 0.000 1.028 142 V CA 0.395 62.692 62.300 -0.005 0.000 1.074 142 V CB 0.237 32.056 31.823 -0.007 0.000 0.958 142 V HN 1.027 nan 8.190 nan 0.000 0.481 143 R N 1.790 122.277 120.500 -0.023 0.000 2.580 143 R HA 0.194 4.534 4.340 -0.000 0.000 0.285 143 R C -0.038 176.231 176.300 -0.051 0.000 0.947 143 R CA -0.253 55.830 56.100 -0.029 0.000 1.102 143 R CB 0.831 31.119 30.300 -0.020 0.000 1.696 143 R HN 0.716 nan 8.270 nan 0.000 0.506 144 E N 2.445 122.602 120.200 -0.072 0.000 2.227 144 E HA 0.226 4.576 4.350 -0.000 0.000 0.282 144 E C -2.559 173.963 176.600 -0.129 0.000 1.015 144 E CA -2.238 54.090 56.400 -0.119 0.000 0.823 144 E CB 1.129 30.722 29.700 -0.178 0.000 1.081 144 E HN -0.147 nan 8.360 nan 0.000 0.396 145 P HA -0.031 nan 4.420 nan 0.000 0.268 145 P C -0.646 176.552 177.300 -0.169 0.000 1.204 145 P CA 0.080 63.103 63.100 -0.128 0.000 0.768 145 P CB 0.419 32.047 31.700 -0.121 0.000 0.842 146 M N 3.771 123.301 119.600 -0.117 0.000 2.065 146 M HA 0.148 4.628 4.480 -0.000 0.000 0.332 146 M C -0.678 175.587 176.300 -0.058 0.000 0.988 146 M CA -0.503 54.730 55.300 -0.111 0.000 0.944 146 M CB 0.268 32.821 32.600 -0.079 0.000 1.357 146 M HN 0.292 nan 8.290 nan 0.000 0.388 147 Q N 2.469 122.242 119.800 -0.045 0.000 2.293 147 Q HA 0.157 4.497 4.340 -0.000 0.000 0.263 147 Q C 1.217 177.261 176.000 0.072 0.000 1.002 147 Q CA 0.219 56.045 55.803 0.039 0.000 0.910 147 Q CB 0.724 29.539 28.738 0.127 0.000 1.185 147 Q HN 0.750 nan 8.270 nan 0.000 0.401 148 T N -1.537 113.042 114.554 0.042 0.000 3.067 148 T HA 0.139 4.489 4.350 -0.000 0.000 0.257 148 T C 1.249 175.972 174.700 0.038 0.000 1.105 148 T CA 0.522 62.644 62.100 0.037 0.000 1.104 148 T CB 0.140 69.019 68.868 0.017 0.000 0.925 148 T HN 0.815 nan 8.240 nan 0.000 0.498 149 G N 1.391 110.215 108.800 0.041 0.000 2.162 149 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.260 149 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.260 149 G C 0.008 174.913 174.900 0.009 0.000 0.976 149 G CA 0.233 45.346 45.100 0.022 0.000 0.655 149 G HN 0.661 nan 8.290 nan 0.000 0.533 150 I N 0.607 121.183 120.570 0.009 0.000 2.312 150 I HA 0.273 4.443 4.170 -0.000 0.000 0.290 150 I C 1.506 177.626 176.117 0.005 0.000 1.008 150 I CA -0.823 60.477 61.300 0.000 0.000 1.226 150 I CB 1.419 39.417 38.000 -0.003 0.000 1.371 150 I HN -0.007 nan 8.210 nan 0.000 0.468 151 K N 4.330 124.732 120.400 0.004 0.000 2.032 151 K HA -0.196 4.124 4.320 -0.000 0.000 0.209 151 K C 2.071 178.677 176.600 0.009 0.000 1.048 151 K CA 1.775 58.067 56.287 0.009 0.000 0.927 151 K CB -0.172 32.334 32.500 0.011 0.000 0.712 151 K HN 0.786 nan 8.250 nan 0.000 0.441 152 A N 1.016 123.839 122.820 0.006 0.000 1.940 152 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 152 A C 2.373 179.963 177.584 0.011 0.000 1.176 152 A CA 1.551 53.593 52.037 0.009 0.000 0.631 152 A CB -0.577 18.429 19.000 0.009 0.000 0.814 152 A HN 0.088 nan 8.150 nan 0.000 0.446 153 V N 0.278 120.197 119.914 0.008 0.000 2.273 153 V HA -0.159 3.961 4.120 -0.000 0.000 0.242 153 V C 2.069 178.166 176.094 0.005 0.000 1.035 153 V CA 1.991 64.294 62.300 0.005 0.000 1.013 153 V CB -0.866 30.957 31.823 -0.000 0.000 0.652 153 V HN 0.448 nan 8.190 nan 0.000 0.452 154 D N 0.704 121.108 120.400 0.007 0.000 2.221 154 D HA -0.133 4.507 4.640 -0.000 0.000 0.204 154 D C 2.343 178.648 176.300 0.009 0.000 0.982 154 D CA 1.792 55.797 54.000 0.008 0.000 0.857 154 D CB -0.140 40.669 40.800 0.015 0.000 0.934 154 D HN 0.618 nan 8.370 nan 0.000 0.475 155 S N -0.852 114.855 115.700 0.012 0.000 2.427 155 S HA 0.087 4.557 4.470 -0.000 0.000 0.224 155 S C 1.838 176.446 174.600 0.013 0.000 1.047 155 S CA 0.056 58.264 58.200 0.014 0.000 0.953 155 S CB -0.086 63.123 63.200 0.016 0.000 0.824 155 S HN 0.197 nan 8.310 nan 0.000 0.502 156 L N 1.038 122.269 121.223 0.014 0.000 2.701 156 L HA 0.421 4.760 4.340 -0.000 0.000 0.238 156 L C -0.336 176.545 176.870 0.020 0.000 1.106 156 L CA -0.007 54.844 54.840 0.018 0.000 0.898 156 L CB 1.201 43.274 42.059 0.022 0.000 1.188 156 L HN 0.173 nan 8.230 nan 0.000 0.508 157 V N 0.151 120.073 119.914 0.014 0.000 2.575 157 V HA 0.229 4.349 4.120 -0.000 0.000 0.281 157 V C -2.463 173.630 176.094 -0.001 0.000 1.087 157 V CA -1.094 61.212 62.300 0.010 0.000 1.193 157 V CB 0.237 32.066 31.823 0.009 0.000 1.426 157 V HN -0.010 nan 8.190 nan 0.000 0.623 158 P HA 0.301 nan 4.420 nan 0.000 0.268 158 P C -0.422 176.869 177.300 -0.015 0.000 1.205 158 P CA 0.375 63.471 63.100 -0.007 0.000 0.771 158 P CB 1.619 33.316 31.700 -0.006 0.000 0.858 159 I N 1.610 122.168 120.570 -0.021 0.000 2.474 159 I HA 0.509 4.679 4.170 -0.000 0.000 0.294 159 I C 0.990 177.085 176.117 -0.037 0.000 1.005 159 I CA -0.549 60.734 61.300 -0.028 0.000 1.113 159 I CB 2.148 40.130 38.000 -0.029 0.000 1.289 159 I HN 0.341 nan 8.210 nan 0.000 0.436 160 G N 4.301 113.079 108.800 -0.036 0.000 2.537 160 G HA2 0.565 4.525 3.960 -0.000 0.000 0.323 160 G HA3 0.565 4.525 3.960 -0.000 0.000 0.323 160 G C -0.680 174.193 174.900 -0.045 0.000 1.207 160 G CA -0.848 44.225 45.100 -0.046 0.000 0.976 160 G HN 0.507 nan 8.290 nan 0.000 0.487 161 R N -0.245 120.221 120.500 -0.058 0.000 2.316 161 R HA 0.429 4.769 4.340 -0.000 0.000 0.314 161 R C 1.079 177.384 176.300 0.007 0.000 1.069 161 R CA 1.053 57.131 56.100 -0.036 0.000 0.959 161 R CB 0.896 31.148 30.300 -0.081 0.000 0.987 161 R HN 1.096 nan 8.270 nan 0.000 0.446 162 G N 1.835 110.647 108.800 0.020 0.000 2.176 162 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.232 162 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.232 162 G C 0.205 175.110 174.900 0.008 0.000 0.986 162 G CA 0.021 45.136 45.100 0.024 0.000 0.643 162 G HN 0.584 nan 8.290 nan 0.000 0.522 163 Q N -0.104 119.694 119.800 -0.003 0.000 2.396 163 Q HA 0.654 4.994 4.340 -0.000 0.000 0.221 163 Q C -0.085 175.909 176.000 -0.010 0.000 1.025 163 Q CA -0.315 55.483 55.803 -0.008 0.000 0.946 163 Q CB 0.367 29.096 28.738 -0.016 0.000 1.224 163 Q HN 0.290 nan 8.270 nan 0.000 0.539 164 R N 1.888 122.380 120.500 -0.013 0.000 2.388 164 R HA 0.312 4.652 4.340 -0.000 0.000 0.314 164 R C -1.552 174.728 176.300 -0.035 0.000 0.959 164 R CA -0.517 55.572 56.100 -0.018 0.000 0.851 164 R CB 1.617 31.910 30.300 -0.012 0.000 1.168 164 R HN 0.470 nan 8.270 nan 0.000 0.472 165 E N 2.667 122.840 120.200 -0.046 0.000 2.191 165 E HA 0.327 4.677 4.350 -0.000 0.000 0.263 165 E C -1.352 175.195 176.600 -0.089 0.000 0.881 165 E CA -0.935 55.426 56.400 -0.065 0.000 0.757 165 E CB 1.018 30.684 29.700 -0.057 0.000 1.147 165 E HN 0.391 nan 8.360 nan 0.000 0.414 166 L N 5.252 126.400 121.223 -0.125 0.000 2.371 166 L HA 0.489 4.829 4.340 -0.000 0.000 0.272 166 L C -0.929 175.834 176.870 -0.177 0.000 1.124 166 L CA 0.063 54.812 54.840 -0.151 0.000 0.816 166 L CB 0.644 42.596 42.059 -0.178 0.000 1.129 166 L HN 0.657 nan 8.230 nan 0.000 0.448 167 I N 6.905 127.392 120.570 -0.137 0.000 2.328 167 I HA 0.404 4.574 4.170 -0.000 0.000 0.287 167 I C -0.397 175.650 176.117 -0.117 0.000 1.012 167 I CA -0.149 61.079 61.300 -0.120 0.000 1.195 167 I CB 1.081 39.041 38.000 -0.066 0.000 1.350 167 I HN 0.566 nan 8.210 nan 0.000 0.464 168 I N 5.435 125.919 120.570 -0.144 0.000 2.647 168 I HA 0.904 5.074 4.170 -0.000 0.000 0.295 168 I C -0.377 175.745 176.117 0.008 0.000 1.078 168 I CA -0.030 61.222 61.300 -0.080 0.000 1.048 168 I CB 2.058 39.989 38.000 -0.116 0.000 1.239 168 I HN 0.678 nan 8.210 nan 0.000 0.421 169 G N 4.818 113.641 108.800 0.039 0.000 2.322 169 G HA2 0.186 4.146 3.960 -0.000 0.000 0.295 169 G HA3 0.186 4.146 3.960 -0.000 0.000 0.295 169 G C -1.980 172.942 174.900 0.037 0.000 1.369 169 G CA -0.782 44.356 45.100 0.063 0.000 0.821 169 G HN 0.514 nan 8.290 nan 0.000 0.536 170 D N 0.443 120.863 120.400 0.033 0.000 2.363 170 D HA 0.341 4.981 4.640 -0.000 0.000 0.240 170 D C 1.291 177.586 176.300 -0.009 0.000 1.236 170 D CA -0.067 53.944 54.000 0.019 0.000 0.927 170 D CB 0.461 41.275 40.800 0.022 0.000 1.150 170 D HN 0.674 nan 8.370 nan 0.000 0.458 171 R N 0.375 120.870 120.500 -0.007 0.000 2.638 171 R HA -0.051 4.289 4.340 -0.000 0.000 0.268 171 R C -0.166 176.090 176.300 -0.073 0.000 1.006 171 R CA 0.079 56.165 56.100 -0.023 0.000 1.088 171 R CB -0.278 30.018 30.300 -0.007 0.000 0.950 171 R HN 0.442 nan 8.270 nan 0.000 0.419 172 Q N -0.751 118.990 119.800 -0.098 0.000 2.494 172 Q HA -0.193 4.147 4.340 -0.000 0.000 0.266 172 Q C 0.232 175.988 176.000 -0.406 0.000 1.053 172 Q CA 1.375 57.057 55.803 -0.201 0.000 1.029 172 Q CB -1.901 26.744 28.738 -0.156 0.000 1.423 172 Q HN 0.995 nan 8.270 nan 0.000 0.516 173 T N -4.747 109.649 114.554 -0.264 0.000 3.060 173 T HA 0.436 4.786 4.350 -0.000 0.000 0.249 173 T C 1.279 175.919 174.700 -0.100 0.000 1.079 173 T CA 0.605 62.540 62.100 -0.275 0.000 1.013 173 T CB 1.080 69.891 68.868 -0.094 0.000 0.975 173 T HN 0.949 nan 8.240 nan 0.000 0.518 174 G N 1.460 110.227 108.800 -0.055 0.000 2.148 174 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.157 174 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.157 174 G C 0.709 175.624 174.900 0.025 0.000 1.012 174 G CA 0.126 45.250 45.100 0.040 0.000 0.677 174 G HN 0.465 nan 8.290 nan 0.000 0.506 175 K N -0.182 120.224 120.400 0.010 0.000 2.002 175 K HA -0.043 4.277 4.320 -0.000 0.000 0.209 175 K C 2.530 179.150 176.600 0.034 0.000 1.048 175 K CA 1.853 58.148 56.287 0.013 0.000 0.930 175 K CB -0.349 32.153 32.500 0.004 0.000 0.714 175 K HN 0.265 nan 8.250 nan 0.000 0.438 176 T N 1.113 115.698 114.554 0.052 0.000 2.788 176 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 176 T C 2.091 176.834 174.700 0.071 0.000 1.044 176 T CA 1.501 63.657 62.100 0.094 0.000 1.139 176 T CB -0.173 68.760 68.868 0.108 0.000 0.867 176 T HN 0.150 nan 8.240 nan 0.000 0.454 177 S N 1.088 116.813 115.700 0.042 0.000 2.382 177 S HA -0.039 4.431 4.470 -0.000 0.000 0.228 177 S C 1.996 176.598 174.600 0.004 0.000 1.027 177 S CA 0.623 58.832 58.200 0.014 0.000 0.991 177 S CB -0.314 62.869 63.200 -0.028 0.000 0.823 177 S HN 0.311 nan 8.310 nan 0.000 0.469 178 I N 2.052 122.629 120.570 0.012 0.000 2.163 178 I HA -0.170 4.000 4.170 -0.000 0.000 0.243 178 I C 2.707 178.839 176.117 0.025 0.000 1.085 178 I CA 1.321 62.626 61.300 0.008 0.000 1.347 178 I CB -1.742 36.261 38.000 0.005 0.000 1.044 178 I HN 0.245 nan 8.210 nan 0.000 0.408 179 A N 0.779 123.628 122.820 0.048 0.000 1.902 179 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 179 A C 2.205 179.833 177.584 0.074 0.000 1.181 179 A CA 1.223 53.305 52.037 0.075 0.000 0.623 179 A CB -0.516 18.568 19.000 0.141 0.000 0.818 179 A HN 0.273 nan 8.150 nan 0.000 0.443 180 I N 0.537 121.141 120.570 0.056 0.000 2.252 180 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 180 I C 1.672 177.821 176.117 0.054 0.000 1.102 180 I CA 1.364 62.682 61.300 0.029 0.000 1.385 180 I CB -1.480 36.534 38.000 0.024 0.000 1.064 180 I HN 0.254 nan 8.210 nan 0.000 0.414 181 D N 0.435 120.866 120.400 0.052 0.000 2.178 181 D HA -0.129 4.511 4.640 -0.000 0.000 0.201 181 D C 2.170 178.497 176.300 0.045 0.000 0.980 181 D CA 1.331 55.360 54.000 0.048 0.000 0.842 181 D CB -0.147 40.656 40.800 0.004 0.000 0.948 181 D HN 0.252 nan 8.370 nan 0.000 0.472 182 T N 0.789 115.369 114.554 0.044 0.000 2.746 182 T HA -0.065 4.285 4.350 -0.000 0.000 0.267 182 T C 2.201 176.947 174.700 0.076 0.000 1.039 182 T CA 0.574 62.704 62.100 0.050 0.000 1.142 182 T CB -0.115 68.776 68.868 0.039 0.000 0.866 182 T HN 0.171 nan 8.240 nan 0.000 0.444 183 I N 0.527 121.148 120.570 0.085 0.000 2.202 183 I HA -0.109 4.061 4.170 -0.000 0.000 0.242 183 I C 2.263 178.487 176.117 0.179 0.000 1.091 183 I CA 1.249 62.627 61.300 0.131 0.000 1.368 183 I CB -0.391 37.657 38.000 0.080 0.000 1.058 183 I HN 0.202 nan 8.210 nan 0.000 0.410 184 I N 0.949 121.581 120.570 0.103 0.000 2.264 184 I HA -0.334 3.836 4.170 -0.000 0.000 0.248 184 I C 2.248 178.417 176.117 0.086 0.000 1.111 184 I CA 1.534 62.890 61.300 0.093 0.000 1.382 184 I CB -0.504 37.535 38.000 0.064 0.000 1.060 184 I HN 0.330 nan 8.210 nan 0.000 0.418 185 N N 0.510 119.241 118.700 0.052 0.000 2.223 185 N HA -0.201 4.539 4.740 -0.000 0.000 0.185 185 N C 1.784 177.233 175.510 -0.102 0.000 1.016 185 N CA 1.102 54.141 53.050 -0.019 0.000 0.863 185 N CB 0.060 38.558 38.487 0.018 0.000 0.983 185 N HN 0.220 nan 8.380 nan 0.000 0.429 186 Q N 0.396 120.187 119.800 -0.016 0.000 2.364 186 Q HA -0.098 4.242 4.340 -0.000 0.000 0.207 186 Q C 1.621 177.389 176.000 -0.387 0.000 0.970 186 Q CA 0.575 56.310 55.803 -0.113 0.000 0.888 186 Q CB -0.227 28.407 28.738 -0.173 0.000 0.951 186 Q HN 0.506 nan 8.270 nan 0.000 0.469 187 K N 1.597 121.857 120.400 -0.233 0.000 2.127 187 K HA -0.207 4.113 4.320 -0.000 0.000 0.208 187 K C 2.000 178.429 176.600 -0.286 0.000 1.047 187 K CA 1.553 57.740 56.287 -0.167 0.000 0.927 187 K CB 0.020 32.549 32.500 0.048 0.000 0.716 187 K HN 0.256 nan 8.250 nan 0.000 0.450 188 R N -0.549 119.672 120.500 -0.465 0.000 2.189 188 R HA -0.118 4.222 4.340 -0.000 0.000 0.223 188 R C 1.535 177.508 176.300 -0.544 0.000 1.092 188 R CA 1.448 57.225 56.100 -0.538 0.000 0.989 188 R CB -0.362 29.532 30.300 -0.676 0.000 0.876 188 R HN 0.210 nan 8.270 nan 0.000 0.457 189 F N 1.011 120.857 119.950 -0.174 0.000 2.383 189 F HA 0.221 4.748 4.527 -0.000 0.000 0.287 189 F C 1.846 177.517 175.800 -0.214 0.000 1.069 189 F CA -0.235 57.656 58.000 -0.181 0.000 1.402 189 F CB -0.275 38.606 39.000 -0.198 0.000 1.116 189 F HN -0.095 nan 8.300 nan 0.000 0.549 190 N N 0.423 119.012 118.700 -0.186 0.000 2.381 190 N HA -0.132 4.608 4.740 -0.000 0.000 0.182 190 N C 0.807 176.251 175.510 -0.110 0.000 1.025 190 N CA 1.191 54.090 53.050 -0.252 0.000 0.888 190 N CB -0.410 37.741 38.487 -0.560 0.000 0.965 190 N HN 0.255 nan 8.380 nan 0.000 0.438 191 D N -0.180 120.164 120.400 -0.095 0.000 2.349 191 D HA 0.091 4.731 4.640 -0.000 0.000 0.215 191 D C 1.267 177.549 176.300 -0.030 0.000 1.016 191 D CA 0.135 54.109 54.000 -0.044 0.000 0.870 191 D CB -0.078 40.693 40.800 -0.048 0.000 0.917 191 D HN 0.136 nan 8.370 nan 0.000 0.524 192 G N -0.094 108.689 108.800 -0.027 0.000 2.525 192 G HA2 0.250 4.210 3.960 -0.000 0.000 0.276 192 G HA3 0.250 4.210 3.960 -0.000 0.000 0.276 192 G C 0.934 175.841 174.900 0.011 0.000 1.388 192 G CA 0.551 45.650 45.100 -0.001 0.000 1.050 192 G HN 0.194 nan 8.290 nan 0.000 0.520 193 T N -3.460 111.105 114.554 0.018 0.000 3.043 193 T HA 0.142 4.492 4.350 -0.000 0.000 0.272 193 T C 0.083 174.796 174.700 0.023 0.000 0.990 193 T CA 0.140 62.252 62.100 0.020 0.000 0.897 193 T CB 0.455 69.331 68.868 0.014 0.000 1.111 193 T HN 0.321 nan 8.240 nan 0.000 0.529 194 D N 1.844 122.258 120.400 0.025 0.000 2.365 194 D HA 0.242 4.882 4.640 -0.000 0.000 0.237 194 D C 1.085 177.397 176.300 0.020 0.000 1.190 194 D CA -0.138 53.873 54.000 0.017 0.000 0.867 194 D CB 1.557 42.361 40.800 0.008 0.000 1.050 194 D HN 0.151 nan 8.370 nan 0.000 0.491 195 E N 3.020 123.240 120.200 0.032 0.000 2.085 195 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 195 E C 1.334 177.974 176.600 0.067 0.000 0.994 195 E CA 1.326 57.759 56.400 0.056 0.000 0.801 195 E CB 0.263 30.002 29.700 0.066 0.000 0.743 195 E HN 0.272 nan 8.360 nan 0.000 0.453 196 K N 0.369 120.798 120.400 0.048 0.000 2.280 196 K HA -0.091 4.229 4.320 -0.000 0.000 0.202 196 K C 1.676 178.232 176.600 -0.074 0.000 1.047 196 K CA 0.929 57.246 56.287 0.050 0.000 0.942 196 K CB -0.048 32.459 32.500 0.013 0.000 0.739 196 K HN 0.179 nan 8.250 nan 0.000 0.457 197 K N 0.750 121.076 120.400 -0.122 0.000 2.393 197 K HA 0.056 4.376 4.320 -0.000 0.000 0.193 197 K C 0.289 176.732 176.600 -0.262 0.000 1.026 197 K CA 0.087 56.202 56.287 -0.288 0.000 1.064 197 K CB 0.352 32.670 32.500 -0.303 0.000 0.833 197 K HN 0.083 nan 8.250 nan 0.000 0.521 198 K N 1.245 121.579 120.400 -0.111 0.000 2.319 198 K HA 0.133 4.453 4.320 -0.000 0.000 0.265 198 K C -0.559 175.898 176.600 -0.239 0.000 1.000 198 K CA -0.048 56.135 56.287 -0.173 0.000 0.943 198 K CB 0.529 32.936 32.500 -0.154 0.000 0.950 198 K HN -0.137 nan 8.250 nan 0.000 0.485 199 L N 2.924 123.867 121.223 -0.468 0.000 2.580 199 L HA 0.271 4.611 4.340 -0.000 0.000 0.266 199 L C -1.827 174.695 176.870 -0.581 0.000 0.955 199 L CA -0.356 54.263 54.840 -0.369 0.000 0.886 199 L CB 0.954 42.892 42.059 -0.202 0.000 1.263 199 L HN 0.441 nan 8.230 nan 0.000 0.406 200 Y N 3.365 123.531 120.300 -0.223 0.000 2.308 200 Y HA 0.549 5.098 4.550 -0.000 0.000 0.329 200 Y C 0.411 176.215 175.900 -0.161 0.000 1.111 200 Y CA -0.227 57.704 58.100 -0.283 0.000 1.179 200 Y CB 1.155 39.086 38.460 -0.881 0.000 1.201 200 Y HN 0.518 nan 8.280 nan 0.000 0.483 201 C N 4.737 124.110 119.300 0.121 0.000 2.411 201 C HA 0.700 5.160 4.460 -0.000 0.000 0.330 201 C C -0.056 174.990 174.990 0.092 0.000 1.224 201 C CA -1.124 57.956 59.018 0.104 0.000 1.770 201 C CB 0.177 28.017 27.740 0.168 0.000 2.297 201 C HN 0.656 nan 8.230 nan 0.000 0.507 202 I N 2.285 122.892 120.570 0.062 0.000 2.478 202 I HA 0.264 4.433 4.170 -0.000 0.000 0.287 202 I C -1.209 174.934 176.117 0.044 0.000 1.042 202 I CA -0.468 60.869 61.300 0.060 0.000 1.067 202 I CB 1.248 39.272 38.000 0.039 0.000 1.233 202 I HN 0.646 nan 8.210 nan 0.000 0.431 203 Y N 7.218 127.496 120.300 -0.037 0.000 2.334 203 Y HA 0.567 5.117 4.550 -0.000 0.000 0.336 203 Y C -0.860 175.023 175.900 -0.029 0.000 0.960 203 Y CA -0.690 57.380 58.100 -0.050 0.000 1.164 203 Y CB 1.245 39.686 38.460 -0.032 0.000 1.155 203 Y HN 0.262 nan 8.280 nan 0.000 0.478 204 V N 6.300 125.942 119.914 -0.454 0.000 2.383 204 V HA 0.647 4.767 4.120 -0.000 0.000 0.275 204 V C 0.083 175.941 176.094 -0.393 0.000 1.036 204 V CA -0.648 61.498 62.300 -0.257 0.000 0.889 204 V CB 0.828 32.609 31.823 -0.070 0.000 0.985 204 V HN 0.922 nan 8.190 nan 0.000 0.459 205 A N 6.651 129.370 122.820 -0.167 0.000 2.252 205 A HA 0.838 5.158 4.320 -0.000 0.000 0.309 205 A C -0.688 176.886 177.584 -0.016 0.000 1.285 205 A CA -0.278 51.728 52.037 -0.052 0.000 0.900 205 A CB 0.003 19.084 19.000 0.134 0.000 1.157 205 A HN 0.723 nan 8.150 nan 0.000 0.536 206 I N 1.992 122.549 120.570 -0.022 0.000 2.410 206 I HA 0.569 4.739 4.170 -0.000 0.000 0.286 206 I C 1.065 177.192 176.117 0.018 0.000 1.009 206 I CA 0.578 61.877 61.300 -0.001 0.000 1.111 206 I CB 1.829 39.819 38.000 -0.016 0.000 1.262 206 I HN 0.998 nan 8.210 nan 0.000 0.443 207 G N 3.654 112.471 108.800 0.028 0.000 2.162 207 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.260 207 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.260 207 G C 0.319 175.240 174.900 0.036 0.000 0.976 207 G CA -0.125 44.995 45.100 0.033 0.000 0.655 207 G HN 0.574 nan 8.290 nan 0.000 0.533 208 Q N 0.113 119.938 119.800 0.042 0.000 2.316 208 Q HA 0.500 4.840 4.340 -0.000 0.000 0.215 208 Q C 0.744 176.770 176.000 0.043 0.000 1.020 208 Q CA -0.146 55.687 55.803 0.049 0.000 0.970 208 Q CB 0.645 29.426 28.738 0.071 0.000 1.187 208 Q HN 0.614 nan 8.270 nan 0.000 0.546 209 K N -0.113 120.311 120.400 0.040 0.000 2.098 209 K HA 0.278 4.598 4.320 -0.000 0.000 0.257 209 K C 0.385 177.006 176.600 0.034 0.000 0.999 209 K CA -0.569 55.737 56.287 0.033 0.000 0.924 209 K CB 1.162 33.678 32.500 0.027 0.000 1.028 209 K HN 0.409 nan 8.250 nan 0.000 0.466 210 R N 0.422 120.939 120.500 0.029 0.000 2.096 210 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 210 R C 2.257 178.570 176.300 0.022 0.000 1.127 210 R CA 2.107 58.223 56.100 0.027 0.000 0.968 210 R CB -0.285 30.029 30.300 0.023 0.000 0.861 210 R HN 0.915 nan 8.270 nan 0.000 0.440 211 S N -0.605 115.106 115.700 0.018 0.000 2.453 211 S HA -0.068 4.402 4.470 -0.000 0.000 0.231 211 S C 1.810 176.418 174.600 0.012 0.000 1.005 211 S CA 1.338 59.546 58.200 0.012 0.000 0.949 211 S CB -0.135 63.072 63.200 0.011 0.000 0.774 211 S HN 0.159 nan 8.310 nan 0.000 0.510 212 T N 2.257 116.824 114.554 0.021 0.000 2.821 212 T HA 0.033 4.383 4.350 -0.000 0.000 0.267 212 T C 1.853 176.563 174.700 0.017 0.000 1.046 212 T CA 1.268 63.381 62.100 0.023 0.000 1.139 212 T CB -0.424 68.467 68.868 0.037 0.000 0.871 212 T HN 0.299 nan 8.240 nan 0.000 0.454 213 V N 1.676 121.608 119.914 0.029 0.000 2.358 213 V HA -0.112 4.008 4.120 -0.000 0.000 0.246 213 V C 2.866 178.955 176.094 -0.008 0.000 1.047 213 V CA 1.571 63.888 62.300 0.028 0.000 1.035 213 V CB -1.130 30.729 31.823 0.060 0.000 0.658 213 V HN 0.501 nan 8.190 nan 0.000 0.452 214 A N -0.842 121.976 122.820 -0.004 0.000 1.933 214 A HA -0.234 4.085 4.320 -0.000 0.000 0.218 214 A C 2.199 179.762 177.584 -0.034 0.000 1.175 214 A CA 1.499 53.525 52.037 -0.018 0.000 0.628 214 A CB -0.434 18.560 19.000 -0.010 0.000 0.814 214 A HN 0.516 nan 8.150 nan 0.000 0.444 215 Q N -0.533 119.249 119.800 -0.029 0.000 2.096 215 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 215 Q C 2.160 178.119 176.000 -0.068 0.000 0.982 215 Q CA 1.276 57.055 55.803 -0.040 0.000 0.850 215 Q CB -0.606 28.119 28.738 -0.020 0.000 0.901 215 Q HN 0.671 nan 8.270 nan 0.000 0.422 216 L N 0.476 121.651 121.223 -0.080 0.000 2.046 216 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 216 L C 2.227 179.003 176.870 -0.158 0.000 1.077 216 L CA 1.292 56.046 54.840 -0.143 0.000 0.747 216 L CB -0.532 41.398 42.059 -0.216 0.000 0.896 216 L HN 0.038 nan 8.230 nan 0.000 0.432 217 V N 0.429 120.271 119.914 -0.120 0.000 2.343 217 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 217 V C 2.749 178.781 176.094 -0.103 0.000 1.051 217 V CA 1.674 63.910 62.300 -0.107 0.000 1.036 217 V CB -0.684 31.099 31.823 -0.067 0.000 0.654 217 V HN 0.428 nan 8.190 nan 0.000 0.451 218 K N 0.787 121.133 120.400 -0.090 0.000 2.032 218 K HA -0.234 4.086 4.320 -0.000 0.000 0.209 218 K C 2.308 178.836 176.600 -0.120 0.000 1.048 218 K CA 1.970 58.203 56.287 -0.090 0.000 0.927 218 K CB -0.288 32.166 32.500 -0.076 0.000 0.712 218 K HN 0.351 nan 8.250 nan 0.000 0.441 219 R N 1.028 121.443 120.500 -0.143 0.000 2.081 219 R HA -0.024 4.316 4.340 -0.000 0.000 0.235 219 R C 2.412 178.610 176.300 -0.170 0.000 1.131 219 R CA 1.399 57.385 56.100 -0.191 0.000 0.960 219 R CB -0.655 29.518 30.300 -0.211 0.000 0.856 219 R HN 0.244 nan 8.270 nan 0.000 0.436 220 L N -0.382 120.747 121.223 -0.157 0.000 2.056 220 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 220 L C 2.218 178.998 176.870 -0.150 0.000 1.078 220 L CA 1.866 56.609 54.840 -0.161 0.000 0.749 220 L CB -0.732 41.217 42.059 -0.185 0.000 0.901 220 L HN 0.287 nan 8.230 nan 0.000 0.433 221 T N -0.954 113.523 114.554 -0.129 0.000 2.708 221 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 221 T C 1.431 176.073 174.700 -0.096 0.000 1.037 221 T CA 1.547 63.584 62.100 -0.106 0.000 1.146 221 T CB -0.284 68.533 68.868 -0.084 0.000 0.865 221 T HN 0.293 nan 8.240 nan 0.000 0.435 222 D N 1.477 121.816 120.400 -0.102 0.000 2.178 222 D HA 0.028 4.668 4.640 -0.000 0.000 0.201 222 D C 2.050 178.296 176.300 -0.091 0.000 0.980 222 D CA 0.949 54.892 54.000 -0.095 0.000 0.842 222 D CB -0.340 40.391 40.800 -0.114 0.000 0.948 222 D HN 0.446 nan 8.370 nan 0.000 0.472 223 A N 0.259 123.018 122.820 -0.102 0.000 2.238 223 A HA -0.016 4.304 4.320 -0.000 0.000 0.208 223 A C 0.529 178.075 177.584 -0.063 0.000 1.177 223 A CA 0.482 52.472 52.037 -0.078 0.000 0.804 223 A CB -0.027 18.929 19.000 -0.074 0.000 0.823 223 A HN 0.043 nan 8.150 nan 0.000 0.482 224 D N -2.827 117.526 120.400 -0.078 0.000 2.772 224 D HA -0.210 4.430 4.640 -0.000 0.000 0.233 224 D C 0.774 177.008 176.300 -0.110 0.000 1.143 224 D CA 1.024 54.983 54.000 -0.069 0.000 0.700 224 D CB -1.239 39.547 40.800 -0.024 0.000 1.076 224 D HN 0.521 nan 8.370 nan 0.000 0.430 225 A N -0.793 121.891 122.820 -0.226 0.000 2.197 225 A HA 0.118 4.438 4.320 -0.000 0.000 0.210 225 A C 2.058 179.207 177.584 -0.726 0.000 1.180 225 A CA 0.464 52.166 52.037 -0.560 0.000 0.846 225 A CB -0.009 18.773 19.000 -0.363 0.000 0.884 225 A HN 0.265 nan 8.150 nan 0.000 0.487 226 M N 1.374 120.757 119.600 -0.362 0.000 2.149 226 M HA -0.185 4.294 4.480 -0.000 0.000 0.261 226 M C 2.018 178.183 176.300 -0.225 0.000 1.064 226 M CA 1.925 57.069 55.300 -0.259 0.000 1.102 226 M CB -0.950 31.564 32.600 -0.144 0.000 1.369 226 M HN 0.686 nan 8.290 nan 0.000 0.408 227 K N 0.004 120.293 120.400 -0.185 0.000 2.281 227 K HA -0.185 4.135 4.320 -0.000 0.000 0.203 227 K C 0.783 177.419 176.600 0.060 0.000 1.046 227 K CA 1.640 57.907 56.287 -0.034 0.000 0.938 227 K CB -0.765 31.760 32.500 0.042 0.000 0.737 227 K HN 0.527 nan 8.250 nan 0.000 0.458 228 Y N -0.271 120.057 120.300 0.047 0.000 2.720 228 Y HA 0.486 5.036 4.550 -0.000 0.000 0.268 228 Y C -0.692 175.252 175.900 0.074 0.000 1.142 228 Y CA -1.117 57.036 58.100 0.088 0.000 1.193 228 Y CB 0.084 38.533 38.460 -0.020 0.000 1.176 228 Y HN -0.215 nan 8.280 nan 0.000 0.542 229 T N 2.349 116.887 114.554 -0.026 0.000 2.893 229 T HA 0.599 4.949 4.350 -0.000 0.000 0.293 229 T C -0.674 174.048 174.700 0.038 0.000 1.027 229 T CA -0.468 61.627 62.100 -0.009 0.000 0.988 229 T CB 1.931 70.713 68.868 -0.144 0.000 1.043 229 T HN 0.181 nan 8.240 nan 0.000 0.461 230 I N 2.361 122.980 120.570 0.082 0.000 2.378 230 I HA 0.466 4.636 4.170 -0.000 0.000 0.291 230 I C -0.538 175.634 176.117 0.093 0.000 0.992 230 I CA -1.084 60.269 61.300 0.088 0.000 1.154 230 I CB 1.775 39.846 38.000 0.119 0.000 1.315 230 I HN 0.245 nan 8.210 nan 0.000 0.448 231 V N 7.339 127.302 119.914 0.081 0.000 2.347 231 V HA 0.289 4.409 4.120 -0.000 0.000 0.280 231 V C 0.017 176.169 176.094 0.096 0.000 1.021 231 V CA -0.625 61.745 62.300 0.118 0.000 0.847 231 V CB 1.640 33.520 31.823 0.094 0.000 0.990 231 V HN 0.401 nan 8.190 nan 0.000 0.444 232 V N 4.369 124.340 119.914 0.095 0.000 2.347 232 V HA 0.497 4.617 4.120 -0.000 0.000 0.280 232 V C 0.203 176.334 176.094 0.062 0.000 1.021 232 V CA -0.008 62.331 62.300 0.066 0.000 0.847 232 V CB 1.575 33.429 31.823 0.051 0.000 0.990 232 V HN 0.832 nan 8.190 nan 0.000 0.444 233 S N 3.915 119.651 115.700 0.061 0.000 2.561 233 S HA 0.807 5.277 4.470 -0.000 0.000 0.303 233 S C -0.330 174.298 174.600 0.047 0.000 1.110 233 S CA -0.190 58.046 58.200 0.060 0.000 1.034 233 S CB 1.367 64.610 63.200 0.072 0.000 1.010 233 S HN 1.022 nan 8.310 nan 0.000 0.482 234 A N 4.038 126.881 122.820 0.039 0.000 2.646 234 A HA 0.606 4.926 4.320 -0.000 0.000 0.312 234 A C 0.337 177.940 177.584 0.031 0.000 1.245 234 A CA -0.643 51.413 52.037 0.033 0.000 0.755 234 A CB 0.083 19.098 19.000 0.026 0.000 1.132 234 A HN 0.818 nan 8.150 nan 0.000 0.458 235 T N -1.145 113.429 114.554 0.033 0.000 2.814 235 T HA 0.567 4.917 4.350 -0.000 0.000 0.284 235 T C 1.567 176.283 174.700 0.027 0.000 0.998 235 T CA 0.083 62.203 62.100 0.033 0.000 0.935 235 T CB 0.997 69.886 68.868 0.035 0.000 1.167 235 T HN 1.046 nan 8.240 nan 0.000 0.545 236 A N 0.666 123.502 122.820 0.027 0.000 1.972 236 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 236 A C 2.416 180.011 177.584 0.017 0.000 1.169 236 A CA 1.827 53.877 52.037 0.023 0.000 0.635 236 A CB -1.308 17.706 19.000 0.024 0.000 0.810 236 A HN 1.061 nan 8.150 nan 0.000 0.446 237 S N -0.713 114.997 115.700 0.016 0.000 2.575 237 S HA 0.090 4.560 4.470 -0.000 0.000 0.215 237 S C -0.075 174.531 174.600 0.011 0.000 0.966 237 S CA -0.242 57.966 58.200 0.012 0.000 0.911 237 S CB -0.201 63.006 63.200 0.013 0.000 0.780 237 S HN 0.372 nan 8.310 nan 0.000 0.514 238 D N 2.778 123.185 120.400 0.012 0.000 2.341 238 D HA 0.566 5.206 4.640 -0.000 0.000 0.245 238 D C 0.369 176.663 176.300 -0.009 0.000 1.106 238 D CA 0.088 54.093 54.000 0.008 0.000 0.905 238 D CB 1.304 42.112 40.800 0.013 0.000 1.202 238 D HN 0.416 nan 8.370 nan 0.000 0.426 239 A N 1.592 124.397 122.820 -0.025 0.000 2.520 239 A HA 0.326 4.646 4.320 -0.000 0.000 0.235 239 A C 1.469 179.006 177.584 -0.077 0.000 1.065 239 A CA 0.473 52.478 52.037 -0.052 0.000 0.764 239 A CB 0.152 19.111 19.000 -0.069 0.000 1.002 239 A HN 0.639 nan 8.150 nan 0.000 0.502 240 A N 3.100 125.882 122.820 -0.065 0.000 1.903 240 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 240 A C 0.005 177.557 177.584 -0.053 0.000 1.191 240 A CA 2.149 54.161 52.037 -0.041 0.000 0.638 240 A CB -1.731 17.247 19.000 -0.036 0.000 0.823 240 A HN 0.675 nan 8.150 nan 0.000 0.451 241 P HA -0.125 nan 4.420 nan 0.000 0.218 241 P C 1.371 178.515 177.300 -0.260 0.000 1.148 241 P CA 0.954 63.900 63.100 -0.256 0.000 0.822 241 P CB -0.208 31.068 31.700 -0.706 0.000 0.784 242 L N -0.925 120.123 121.223 -0.292 0.000 2.156 242 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 242 L C 2.808 179.676 176.870 -0.003 0.000 1.095 242 L CA 1.258 56.024 54.840 -0.123 0.000 0.770 242 L CB -1.006 41.016 42.059 -0.061 0.000 0.914 242 L HN -0.047 nan 8.230 nan 0.000 0.439 243 Q N -0.852 118.958 119.800 0.016 0.000 2.079 243 Q HA -0.249 4.091 4.340 -0.000 0.000 0.200 243 Q C 2.151 178.213 176.000 0.104 0.000 0.974 243 Q CA 1.815 57.649 55.803 0.051 0.000 0.840 243 Q CB -0.323 28.447 28.738 0.053 0.000 0.898 243 Q HN 0.488 nan 8.270 nan 0.000 0.430 244 Y N 1.252 121.564 120.300 0.020 0.000 2.165 244 Y HA -0.209 4.341 4.550 -0.000 0.000 0.286 244 Y C 1.692 177.675 175.900 0.138 0.000 1.155 244 Y CA 1.377 59.529 58.100 0.086 0.000 1.164 244 Y CB -0.243 38.292 38.460 0.125 0.000 0.978 244 Y HN -0.003 nan 8.280 nan 0.000 0.513 245 L N -0.406 120.790 121.223 -0.044 0.000 2.131 245 L HA -0.043 4.297 4.340 -0.000 0.000 0.206 245 L C 2.818 179.692 176.870 0.006 0.000 1.087 245 L CA 0.770 55.572 54.840 -0.064 0.000 0.767 245 L CB -1.030 41.061 42.059 0.053 0.000 0.917 245 L HN 0.330 nan 8.230 nan 0.000 0.441 246 A N 1.196 124.011 122.820 -0.007 0.000 1.929 246 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 246 A C -0.148 177.405 177.584 -0.050 0.000 1.211 246 A CA 2.317 54.350 52.037 -0.008 0.000 0.657 246 A CB -1.957 17.043 19.000 0.001 0.000 0.827 246 A HN 0.307 nan 8.150 nan 0.000 0.462 247 P HA -0.116 nan 4.420 nan 0.000 0.217 247 P C 0.935 178.055 177.300 -0.300 0.000 1.150 247 P CA 1.231 64.156 63.100 -0.292 0.000 0.832 247 P CB -0.226 31.041 31.700 -0.722 0.000 0.787 248 Y N -0.436 119.784 120.300 -0.133 0.000 2.263 248 Y HA -0.084 4.466 4.550 -0.000 0.000 0.292 248 Y C 2.646 178.530 175.900 -0.027 0.000 1.130 248 Y CA 1.138 59.173 58.100 -0.107 0.000 1.179 248 Y CB -1.078 37.268 38.460 -0.189 0.000 0.998 248 Y HN -0.096 nan 8.280 nan 0.000 0.532 249 S N -0.158 115.609 115.700 0.112 0.000 2.368 249 S HA -0.163 4.307 4.470 -0.000 0.000 0.225 249 S C 2.334 176.986 174.600 0.087 0.000 1.030 249 S CA 1.275 59.530 58.200 0.090 0.000 0.999 249 S CB -0.858 62.387 63.200 0.076 0.000 0.844 249 S HN 0.665 nan 8.310 nan 0.000 0.459 250 G N -0.142 108.712 108.800 0.090 0.000 2.403 250 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 250 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 250 G C 1.682 176.654 174.900 0.120 0.000 1.154 250 G CA 0.844 46.002 45.100 0.096 0.000 0.784 250 G HN 0.579 nan 8.290 nan 0.000 0.538 251 C N 0.880 120.276 119.300 0.159 0.000 2.413 251 C HA -0.068 4.391 4.460 -0.000 0.000 0.276 251 C C 3.244 178.313 174.990 0.133 0.000 1.248 251 C CA 1.863 60.981 59.018 0.167 0.000 1.742 251 C CB -0.937 26.909 27.740 0.177 0.000 2.017 251 C HN 0.353 nan 8.230 nan 0.000 0.481 252 S N 0.505 116.276 115.700 0.117 0.000 2.399 252 S HA -0.140 4.330 4.470 -0.000 0.000 0.231 252 S C 1.681 176.345 174.600 0.107 0.000 1.022 252 S CA 1.955 60.214 58.200 0.098 0.000 0.983 252 S CB -0.368 62.878 63.200 0.077 0.000 0.803 252 S HN 0.679 nan 8.310 nan 0.000 0.480 253 M N 0.928 120.595 119.600 0.112 0.000 2.229 253 M HA -0.016 4.464 4.480 -0.000 0.000 0.264 253 M C 2.410 178.856 176.300 0.244 0.000 1.063 253 M CA 1.399 56.775 55.300 0.127 0.000 1.114 253 M CB -0.672 32.000 32.600 0.119 0.000 1.387 253 M HN 0.427 nan 8.290 nan 0.000 0.420 254 G N 0.004 108.952 108.800 0.247 0.000 2.430 254 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.216 254 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.216 254 G C 1.334 176.405 174.900 0.285 0.000 1.146 254 G CA 0.311 45.609 45.100 0.331 0.000 0.793 254 G HN 0.475 nan 8.290 nan 0.000 0.537 255 E N -0.542 119.763 120.200 0.175 0.000 2.204 255 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 255 E C 1.888 178.524 176.600 0.061 0.000 0.989 255 E CA 0.581 57.046 56.400 0.109 0.000 0.824 255 E CB -0.229 29.519 29.700 0.080 0.000 0.756 255 E HN 0.618 nan 8.360 nan 0.000 0.477 256 Y N 0.600 120.855 120.300 -0.075 0.000 2.114 256 Y HA -0.304 4.246 4.550 -0.000 0.000 0.282 256 Y C 1.669 177.393 175.900 -0.294 0.000 1.165 256 Y CA 1.758 59.716 58.100 -0.237 0.000 1.148 256 Y CB -0.323 37.892 38.460 -0.408 0.000 0.972 256 Y HN -0.056 nan 8.280 nan 0.000 0.504 257 F N 0.034 119.970 119.950 -0.024 0.000 2.163 257 F HA -0.047 4.480 4.527 -0.000 0.000 0.297 257 F C 2.753 178.454 175.800 -0.164 0.000 1.094 257 F CA 1.549 59.464 58.000 -0.142 0.000 1.290 257 F CB -0.728 38.286 39.000 0.023 0.000 1.017 257 F HN -0.102 nan 8.300 nan 0.000 0.483 258 R N 0.764 121.321 120.500 0.095 0.000 2.096 258 R HA -0.194 4.146 4.340 -0.000 0.000 0.240 258 R C 1.167 177.438 176.300 -0.049 0.000 1.139 258 R CA 2.240 58.351 56.100 0.020 0.000 0.952 258 R CB -0.446 29.883 30.300 0.047 0.000 0.854 258 R HN 0.163 nan 8.270 nan 0.000 0.436 259 D N -0.337 120.014 120.400 -0.082 0.000 2.355 259 D HA -0.018 4.622 4.640 -0.000 0.000 0.218 259 D C -0.023 176.199 176.300 -0.130 0.000 1.004 259 D CA 0.680 54.637 54.000 -0.072 0.000 0.880 259 D CB 0.049 40.818 40.800 -0.051 0.000 0.911 259 D HN 0.311 nan 8.370 nan 0.000 0.528 260 N N -0.522 118.041 118.700 -0.229 0.000 2.538 260 N HA 0.298 5.038 4.740 -0.000 0.000 0.291 260 N C 0.646 176.057 175.510 -0.166 0.000 1.323 260 N CA -0.057 52.844 53.050 -0.249 0.000 0.934 260 N CB 1.182 39.383 38.487 -0.477 0.000 1.255 260 N HN -0.029 nan 8.380 nan 0.000 0.509 261 G N 0.348 109.074 108.800 -0.124 0.000 2.203 261 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.263 261 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.263 261 G C 0.131 174.929 174.900 -0.170 0.000 1.012 261 G CA 0.645 45.676 45.100 -0.115 0.000 0.749 261 G HN 0.352 nan 8.290 nan 0.000 0.512 262 K N -0.843 119.440 120.400 -0.195 0.000 2.316 262 K HA 0.670 4.990 4.320 -0.000 0.000 0.234 262 K C -0.414 175.935 176.600 -0.417 0.000 1.054 262 K CA -1.028 55.147 56.287 -0.185 0.000 0.879 262 K CB 1.103 33.696 32.500 0.154 0.000 1.252 262 K HN 0.275 nan 8.250 nan 0.000 0.471 263 H N -0.169 119.009 119.070 0.180 0.000 2.505 263 H HA 0.516 5.072 4.556 -0.000 0.000 0.338 263 H C -1.049 174.334 175.328 0.093 0.000 1.057 263 H CA -0.712 55.396 56.048 0.100 0.000 1.202 263 H CB 1.831 31.598 29.762 0.010 0.000 1.466 263 H HN 0.651 nan 8.280 nan 0.000 0.499 264 A N 3.121 126.038 122.820 0.161 0.000 2.380 264 A HA 0.544 4.864 4.320 -0.000 0.000 0.315 264 A C -1.191 176.423 177.584 0.051 0.000 1.101 264 A CA -0.710 51.373 52.037 0.077 0.000 0.771 264 A CB 1.743 20.831 19.000 0.146 0.000 1.287 264 A HN 0.469 nan 8.150 nan 0.000 0.436 265 L N 2.254 123.484 121.223 0.011 0.000 2.325 265 L HA 0.749 5.089 4.340 -0.000 0.000 0.281 265 L C -0.973 175.864 176.870 -0.056 0.000 1.004 265 L CA -0.362 54.467 54.840 -0.017 0.000 0.823 265 L CB 1.042 43.096 42.059 -0.009 0.000 1.236 265 L HN 0.676 nan 8.230 nan 0.000 0.415 266 I N 5.129 125.615 120.570 -0.140 0.000 2.474 266 I HA 0.553 4.723 4.170 -0.000 0.000 0.294 266 I C -1.147 174.699 176.117 -0.451 0.000 1.005 266 I CA -0.612 60.508 61.300 -0.301 0.000 1.113 266 I CB 1.516 39.275 38.000 -0.401 0.000 1.289 266 I HN 0.628 nan 8.210 nan 0.000 0.436 267 I N 7.585 127.897 120.570 -0.429 0.000 2.404 267 I HA 0.284 4.454 4.170 -0.000 0.000 0.293 267 I C -1.223 174.562 176.117 -0.553 0.000 0.992 267 I CA -0.083 60.980 61.300 -0.396 0.000 1.149 267 I CB 1.401 39.307 38.000 -0.158 0.000 1.315 267 I HN 0.374 nan 8.210 nan 0.000 0.446 268 Y N 4.167 124.323 120.300 -0.240 0.000 2.587 268 Y HA 0.379 4.929 4.550 -0.000 0.000 0.328 268 Y C -0.264 175.476 175.900 -0.268 0.000 0.980 268 Y CA -0.770 57.166 58.100 -0.273 0.000 1.272 268 Y CB 0.991 39.300 38.460 -0.251 0.000 1.094 268 Y HN 0.398 nan 8.280 nan 0.000 0.503 269 D N 3.726 124.005 120.400 -0.202 0.000 2.438 269 D HA 0.177 4.817 4.640 -0.000 0.000 0.257 269 D C -1.267 174.974 176.300 -0.097 0.000 1.148 269 D CA -0.349 53.555 54.000 -0.160 0.000 0.902 269 D CB 0.390 41.058 40.800 -0.219 0.000 1.062 269 D HN 0.679 nan 8.370 nan 0.000 0.518 270 D N 0.400 120.769 120.400 -0.053 0.000 2.559 270 D HA 0.228 4.868 4.640 -0.000 0.000 0.250 270 D C 0.784 177.041 176.300 -0.072 0.000 1.135 270 D CA -0.736 53.230 54.000 -0.057 0.000 0.955 270 D CB 0.978 41.757 40.800 -0.034 0.000 1.442 270 D HN 0.091 nan 8.370 nan 0.000 0.471 271 L N 0.178 121.322 121.223 -0.130 0.000 2.313 271 L HA -0.026 4.314 4.340 -0.000 0.000 0.214 271 L C 1.872 178.705 176.870 -0.060 0.000 1.119 271 L CA 0.572 55.289 54.840 -0.205 0.000 0.809 271 L CB -0.349 41.380 42.059 -0.550 0.000 0.933 271 L HN 0.421 nan 8.230 nan 0.000 0.449 272 S N 0.111 115.792 115.700 -0.032 0.000 2.368 272 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 272 S C 1.942 176.595 174.600 0.088 0.000 1.030 272 S CA 1.309 59.529 58.200 0.033 0.000 0.999 272 S CB -0.041 63.177 63.200 0.030 0.000 0.844 272 S HN 0.381 nan 8.310 nan 0.000 0.459 273 K N 0.889 121.327 120.400 0.063 0.000 2.155 273 K HA -0.011 4.309 4.320 -0.000 0.000 0.203 273 K C 2.426 179.087 176.600 0.101 0.000 1.052 273 K CA 0.662 56.996 56.287 0.078 0.000 0.948 273 K CB -0.090 32.439 32.500 0.049 0.000 0.728 273 K HN 0.328 nan 8.250 nan 0.000 0.448 274 Q N 0.629 120.483 119.800 0.091 0.000 2.079 274 Q HA -0.124 4.216 4.340 -0.000 0.000 0.200 274 Q C 1.996 178.116 176.000 0.200 0.000 0.974 274 Q CA 1.444 57.320 55.803 0.122 0.000 0.840 274 Q CB -0.042 28.735 28.738 0.066 0.000 0.898 274 Q HN 0.307 nan 8.270 nan 0.000 0.430 275 A N 0.054 123.000 122.820 0.211 0.000 1.972 275 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 275 A C 2.196 180.020 177.584 0.399 0.000 1.169 275 A CA 1.305 53.481 52.037 0.231 0.000 0.635 275 A CB -0.572 18.461 19.000 0.055 0.000 0.810 275 A HN 0.293 nan 8.150 nan 0.000 0.446 276 V N -0.260 119.845 119.914 0.319 0.000 2.343 276 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 276 V C 3.047 179.234 176.094 0.154 0.000 1.051 276 V CA 1.904 64.349 62.300 0.242 0.000 1.036 276 V CB -1.073 30.846 31.823 0.159 0.000 0.654 276 V HN 0.618 nan 8.190 nan 0.000 0.451 277 A N -1.061 121.851 122.820 0.153 0.000 1.902 277 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 277 A C 2.167 179.824 177.584 0.121 0.000 1.181 277 A CA 2.044 54.150 52.037 0.115 0.000 0.623 277 A CB -0.776 18.301 19.000 0.128 0.000 0.818 277 A HN 0.602 nan 8.150 nan 0.000 0.443 278 Y N 0.446 120.781 120.300 0.058 0.000 2.181 278 Y HA -0.199 4.351 4.550 -0.000 0.000 0.288 278 Y C 2.526 178.419 175.900 -0.012 0.000 1.146 278 Y CA 2.017 60.106 58.100 -0.018 0.000 1.164 278 Y CB -0.430 38.064 38.460 0.056 0.000 0.982 278 Y HN 0.350 nan 8.280 nan 0.000 0.515 279 R N 0.247 120.786 120.500 0.064 0.000 2.091 279 R HA -0.261 4.079 4.340 -0.000 0.000 0.238 279 R C 2.462 178.678 176.300 -0.140 0.000 1.136 279 R CA 1.995 58.059 56.100 -0.059 0.000 0.959 279 R CB -0.475 29.761 30.300 -0.107 0.000 0.856 279 R HN 0.555 nan 8.270 nan 0.000 0.437 280 Q N 0.217 119.962 119.800 -0.091 0.000 2.077 280 Q HA -0.239 4.101 4.340 -0.000 0.000 0.206 280 Q C 2.106 178.024 176.000 -0.138 0.000 0.989 280 Q CA 2.318 58.063 55.803 -0.096 0.000 0.853 280 Q CB -0.089 28.615 28.738 -0.058 0.000 0.907 280 Q HN 0.454 nan 8.270 nan 0.000 0.418 281 M N -0.217 119.269 119.600 -0.189 0.000 2.086 281 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 281 M C 2.388 178.529 176.300 -0.265 0.000 1.067 281 M CA 1.561 56.724 55.300 -0.228 0.000 1.116 281 M CB -0.093 32.329 32.600 -0.296 0.000 1.348 281 M HN 0.155 nan 8.290 nan 0.000 0.407 282 S N 1.074 116.543 115.700 -0.385 0.000 2.353 282 S HA -0.113 4.357 4.470 -0.000 0.000 0.222 282 S C 1.885 176.379 174.600 -0.176 0.000 1.035 282 S CA 1.280 59.285 58.200 -0.325 0.000 1.025 282 S CB -0.574 62.402 63.200 -0.372 0.000 0.902 282 S HN 0.385 nan 8.310 nan 0.000 0.440 283 L N 0.907 122.040 121.223 -0.149 0.000 2.083 283 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 283 L C 2.169 178.989 176.870 -0.083 0.000 1.083 283 L CA 1.020 55.799 54.840 -0.101 0.000 0.752 283 L CB -0.558 41.443 42.059 -0.098 0.000 0.899 283 L HN 0.271 nan 8.230 nan 0.000 0.433 284 L N -0.704 120.465 121.223 -0.089 0.000 2.376 284 L HA -0.129 4.211 4.340 -0.000 0.000 0.219 284 L C 1.982 178.819 176.870 -0.055 0.000 1.133 284 L CA 0.609 55.410 54.840 -0.065 0.000 0.816 284 L CB -0.116 41.906 42.059 -0.062 0.000 0.933 284 L HN 0.278 nan 8.230 nan 0.000 0.449 285 L N -0.593 120.589 121.223 -0.068 0.000 2.592 285 L HA 0.122 4.462 4.340 -0.000 0.000 0.227 285 L C 0.578 177.423 176.870 -0.042 0.000 1.127 285 L CA -0.025 54.784 54.840 -0.051 0.000 0.884 285 L CB -0.064 41.953 42.059 -0.069 0.000 1.065 285 L HN 0.211 nan 8.230 nan 0.000 0.457 286 R N 0.534 121.006 120.500 -0.046 0.000 3.525 286 R HA -0.168 4.172 4.340 -0.000 0.000 0.276 286 R C -0.039 176.241 176.300 -0.033 0.000 1.116 286 R CA 0.422 56.501 56.100 -0.036 0.000 0.745 286 R CB -1.796 28.490 30.300 -0.022 0.000 1.185 286 R HN 0.431 nan 8.270 nan 0.000 0.454 287 R N 0.821 121.294 120.500 -0.044 0.000 2.615 287 R HA 0.233 4.573 4.340 -0.000 0.000 0.270 287 R C -2.031 174.256 176.300 -0.022 0.000 1.081 287 R CA -1.666 54.416 56.100 -0.030 0.000 1.154 287 R CB 0.286 30.561 30.300 -0.042 0.000 1.063 287 R HN -0.112 nan 8.270 nan 0.000 0.519 288 P HA 0.070 nan 4.420 nan 0.000 0.267 288 P C -2.370 174.936 177.300 0.009 0.000 1.209 288 P CA -0.919 62.182 63.100 0.002 0.000 0.763 288 P CB 0.189 31.896 31.700 0.012 0.000 0.816 289 P HA 0.273 nan 4.420 nan 0.000 0.285 289 P C 0.111 177.418 177.300 0.013 0.000 1.259 289 P CA -0.000 63.100 63.100 0.000 0.000 0.794 289 P CB 1.523 33.208 31.700 -0.025 0.000 0.940 290 G N 2.156 110.978 108.800 0.037 0.000 3.039 290 G HA2 0.360 4.320 3.960 -0.000 0.000 0.159 290 G HA3 0.360 4.320 3.960 -0.000 0.000 0.159 290 G C -0.535 174.355 174.900 -0.017 0.000 1.284 290 G CA -0.908 44.198 45.100 0.009 0.000 0.996 290 G HN 0.568 nan 8.290 nan 0.000 0.592 291 R N 0.432 120.868 120.500 -0.107 0.000 2.583 291 R HA 0.059 4.399 4.340 -0.000 0.000 0.274 291 R C 0.225 176.559 176.300 0.056 0.000 0.998 291 R CA 1.109 57.139 56.100 -0.118 0.000 1.081 291 R CB -0.201 29.877 30.300 -0.369 0.000 0.940 291 R HN 0.729 nan 8.270 nan 0.000 0.413 292 E N 2.433 122.680 120.200 0.078 0.000 2.805 292 E HA -0.349 4.001 4.350 -0.000 0.000 0.266 292 E C 0.386 176.961 176.600 -0.041 0.000 1.092 292 E CA 0.519 56.989 56.400 0.117 0.000 0.781 292 E CB -1.379 28.523 29.700 0.337 0.000 1.379 292 E HN 0.881 nan 8.360 nan 0.000 0.433 293 A N -2.362 120.432 122.820 -0.043 0.000 3.172 293 A HA -0.305 4.015 4.320 -0.000 0.000 0.263 293 A C 0.119 177.615 177.584 -0.147 0.000 1.215 293 A CA 1.704 53.671 52.037 -0.117 0.000 1.065 293 A CB -2.160 16.744 19.000 -0.161 0.000 1.148 293 A HN 0.446 nan 8.150 nan 0.000 0.904 294 Y N 0.615 120.991 120.300 0.127 0.000 2.326 294 Y HA 0.468 5.018 4.550 -0.000 0.000 0.333 294 Y C -1.280 174.722 175.900 0.169 0.000 1.240 294 Y CA -1.204 57.008 58.100 0.187 0.000 1.365 294 Y CB 0.482 39.154 38.460 0.353 0.000 1.289 294 Y HN 0.251 nan 8.280 nan 0.000 0.548 295 P HA 0.084 nan 4.420 nan 0.000 0.278 295 P C 0.418 177.894 177.300 0.292 0.000 1.258 295 P CA -0.300 62.933 63.100 0.222 0.000 0.811 295 P CB 0.978 32.765 31.700 0.144 0.000 1.063 296 G N 0.738 109.669 108.800 0.218 0.000 2.625 296 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.214 296 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.214 296 G C 0.534 175.587 174.900 0.255 0.000 1.132 296 G CA 0.373 45.604 45.100 0.219 0.000 0.782 296 G HN 0.624 nan 8.290 nan 0.000 0.538 297 D N -0.246 120.333 120.400 0.297 0.000 2.424 297 D HA 0.081 4.720 4.640 -0.000 0.000 0.220 297 D C 1.686 178.163 176.300 0.295 0.000 1.150 297 D CA -0.425 53.781 54.000 0.344 0.000 0.831 297 D CB 0.035 41.071 40.800 0.393 0.000 0.981 297 D HN 0.063 nan 8.370 nan 0.000 0.500 298 V N -0.142 119.927 119.914 0.259 0.000 2.626 298 V HA -0.106 4.014 4.120 -0.000 0.000 0.252 298 V C 1.723 177.751 176.094 -0.109 0.000 1.067 298 V CA 1.138 63.465 62.300 0.046 0.000 1.081 298 V CB -0.737 31.130 31.823 0.072 0.000 0.686 298 V HN 0.219 nan 8.190 nan 0.000 0.468 299 F N -0.016 119.892 119.950 -0.069 0.000 2.113 299 F HA -0.201 4.326 4.527 -0.000 0.000 0.297 299 F C 2.181 178.009 175.800 0.047 0.000 1.103 299 F CA 2.376 60.347 58.000 -0.049 0.000 1.248 299 F CB -0.530 38.480 39.000 0.018 0.000 0.999 299 F HN 0.348 nan 8.300 nan 0.000 0.475 300 Y N 0.864 121.261 120.300 0.162 0.000 2.274 300 Y HA -0.187 4.363 4.550 -0.000 0.000 0.290 300 Y C 2.094 177.949 175.900 -0.075 0.000 1.145 300 Y CA 1.520 59.662 58.100 0.070 0.000 1.203 300 Y CB -0.965 37.572 38.460 0.130 0.000 0.984 300 Y HN 0.252 nan 8.280 nan 0.000 0.533 301 L N -0.189 120.912 121.223 -0.202 0.000 2.013 301 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 301 L C 2.228 178.972 176.870 -0.210 0.000 1.073 301 L CA 2.432 57.064 54.840 -0.347 0.000 0.753 301 L CB -0.794 40.931 42.059 -0.557 0.000 0.890 301 L HN 0.354 nan 8.230 nan 0.000 0.432 302 H N -1.701 117.210 119.070 -0.264 0.000 2.403 302 H HA -0.044 4.512 4.556 -0.000 0.000 0.298 302 H C 2.405 177.540 175.328 -0.321 0.000 1.059 302 H CA 0.856 56.704 56.048 -0.333 0.000 1.363 302 H CB 0.068 29.601 29.762 -0.381 0.000 1.410 302 H HN 0.562 nan 8.280 nan 0.000 0.528 303 S N 1.567 117.125 115.700 -0.237 0.000 2.368 303 S HA -0.202 4.268 4.470 -0.000 0.000 0.224 303 S C 2.082 176.659 174.600 -0.037 0.000 1.029 303 S CA 1.113 59.196 58.200 -0.194 0.000 0.988 303 S CB -0.232 62.844 63.200 -0.206 0.000 0.838 303 S HN 0.533 nan 8.310 nan 0.000 0.462 304 R N 0.684 121.185 120.500 0.001 0.000 2.148 304 R HA 0.158 4.498 4.340 -0.000 0.000 0.223 304 R C 2.297 178.615 176.300 0.030 0.000 1.088 304 R CA 1.041 57.155 56.100 0.024 0.000 0.985 304 R CB -0.742 29.536 30.300 -0.037 0.000 0.880 304 R HN 0.446 nan 8.270 nan 0.000 0.451 305 L N 1.372 122.603 121.223 0.013 0.000 2.027 305 L HA -0.024 4.316 4.340 -0.000 0.000 0.206 305 L C 2.095 178.913 176.870 -0.087 0.000 1.074 305 L CA 1.584 56.379 54.840 -0.076 0.000 0.745 305 L CB -0.225 41.590 42.059 -0.407 0.000 0.898 305 L HN 0.193 nan 8.230 nan 0.000 0.433 306 L N -0.706 120.456 121.223 -0.101 0.000 2.217 306 L HA -0.056 4.284 4.340 -0.000 0.000 0.211 306 L C 2.328 179.195 176.870 -0.006 0.000 1.107 306 L CA 0.519 55.331 54.840 -0.047 0.000 0.783 306 L CB -0.647 41.360 42.059 -0.087 0.000 0.919 306 L HN 0.265 nan 8.230 nan 0.000 0.442 307 E N 0.546 120.745 120.200 -0.002 0.000 2.472 307 E HA -0.141 4.209 4.350 -0.000 0.000 0.200 307 E C 1.992 178.605 176.600 0.021 0.000 1.046 307 E CA 0.530 56.939 56.400 0.015 0.000 0.871 307 E CB 0.011 29.727 29.700 0.027 0.000 0.806 307 E HN 0.480 nan 8.360 nan 0.000 0.533 308 R N 0.532 121.051 120.500 0.032 0.000 2.276 308 R HA 0.078 4.418 4.340 -0.000 0.000 0.203 308 R C 0.921 177.247 176.300 0.044 0.000 1.017 308 R CA 0.341 56.466 56.100 0.041 0.000 1.010 308 R CB 0.113 30.449 30.300 0.059 0.000 0.900 308 R HN -0.062 nan 8.270 nan 0.000 0.469 309 A N 1.031 123.879 122.820 0.047 0.000 2.401 309 A HA 0.630 4.950 4.320 -0.000 0.000 0.259 309 A C -0.124 177.475 177.584 0.024 0.000 1.103 309 A CA 0.120 52.182 52.037 0.043 0.000 0.789 309 A CB 0.520 19.545 19.000 0.042 0.000 1.035 309 A HN 0.299 nan 8.150 nan 0.000 0.491 310 A N 1.663 124.498 122.820 0.024 0.000 2.566 310 A HA 0.687 5.007 4.320 -0.000 0.000 0.290 310 A C -1.052 176.546 177.584 0.022 0.000 1.071 310 A CA -0.692 51.352 52.037 0.012 0.000 0.658 310 A CB 0.940 19.935 19.000 -0.008 0.000 1.285 310 A HN 0.939 nan 8.150 nan 0.000 0.427 311 K N 1.503 121.912 120.400 0.016 0.000 2.367 311 K HA 0.604 4.924 4.320 -0.000 0.000 0.263 311 K C -0.591 176.020 176.600 0.019 0.000 1.000 311 K CA -0.427 55.880 56.287 0.034 0.000 0.891 311 K CB 0.386 32.906 32.500 0.033 0.000 1.117 311 K HN 0.617 nan 8.250 nan 0.000 0.443 312 M N 2.646 122.263 119.600 0.028 0.000 2.228 312 M HA 0.201 4.681 4.480 -0.000 0.000 0.326 312 M C 0.515 176.852 176.300 0.062 0.000 1.122 312 M CA -0.598 54.716 55.300 0.024 0.000 1.161 312 M CB 0.176 32.804 32.600 0.048 0.000 1.437 312 M HN 0.744 nan 8.290 nan 0.000 0.465 313 N N 0.820 119.572 118.700 0.087 0.000 2.381 313 N HA 0.076 4.816 4.740 -0.000 0.000 0.254 313 N C 0.072 175.668 175.510 0.143 0.000 1.264 313 N CA -0.214 52.905 53.050 0.115 0.000 0.942 313 N CB 0.455 39.021 38.487 0.131 0.000 1.190 313 N HN 0.398 nan 8.380 nan 0.000 0.495 314 D N -0.018 120.441 120.400 0.098 0.000 2.117 314 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 314 D C 1.721 178.052 176.300 0.051 0.000 0.987 314 D CA 1.917 55.956 54.000 0.065 0.000 0.829 314 D CB -0.659 40.165 40.800 0.040 0.000 0.961 314 D HN 0.729 nan 8.370 nan 0.000 0.460 315 A N 0.072 122.931 122.820 0.064 0.000 1.986 315 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 315 A C 1.665 179.149 177.584 -0.165 0.000 1.171 315 A CA 1.075 53.084 52.037 -0.048 0.000 0.640 315 A CB -0.793 18.189 19.000 -0.030 0.000 0.811 315 A HN 0.199 nan 8.150 nan 0.000 0.451 316 F N -1.223 118.719 119.950 -0.014 0.000 2.693 316 F HA 0.390 4.917 4.527 -0.000 0.000 0.303 316 F C 1.741 177.520 175.800 -0.035 0.000 1.097 316 F CA 0.680 58.666 58.000 -0.022 0.000 1.330 316 F CB 0.474 39.463 39.000 -0.018 0.000 1.067 316 F HN 0.367 nan 8.300 nan 0.000 0.565 317 G N -0.799 108.045 108.800 0.072 0.000 2.211 317 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.201 317 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.201 317 G C 1.288 176.200 174.900 0.019 0.000 0.997 317 G CA -0.158 44.953 45.100 0.019 0.000 0.652 317 G HN 0.895 nan 8.290 nan 0.000 0.500 318 G N -0.405 108.428 108.800 0.054 0.000 2.228 318 G HA2 0.089 4.049 3.960 -0.000 0.000 0.270 318 G HA3 0.089 4.049 3.960 -0.000 0.000 0.270 318 G C 1.683 176.601 174.900 0.030 0.000 0.976 318 G CA 1.335 46.469 45.100 0.057 0.000 0.636 318 G HN 2.146 nan 8.290 nan 0.000 0.542 319 G N -0.382 108.375 108.800 -0.072 0.000 2.716 319 G HA2 0.603 4.563 3.960 -0.000 0.000 0.251 319 G HA3 0.603 4.563 3.960 -0.000 0.000 0.251 319 G C 0.365 175.231 174.900 -0.058 0.000 1.224 319 G CA 1.324 46.287 45.100 -0.228 0.000 0.891 319 G HN 1.938 nan 8.290 nan 0.000 0.561 320 S N -1.634 114.045 115.700 -0.034 0.000 2.588 320 S HA 0.579 5.049 4.470 -0.000 0.000 0.269 320 S C -1.621 173.043 174.600 0.107 0.000 1.157 320 S CA -0.852 57.413 58.200 0.108 0.000 0.824 320 S CB 1.915 65.260 63.200 0.242 0.000 1.126 320 S HN 1.274 nan 8.310 nan 0.000 0.464 321 L N 1.602 122.876 121.223 0.085 0.000 2.446 321 L HA 0.709 5.049 4.340 -0.000 0.000 0.268 321 L C -0.784 176.113 176.870 0.046 0.000 0.975 321 L CA 0.236 55.122 54.840 0.076 0.000 0.848 321 L CB 1.634 43.737 42.059 0.075 0.000 1.225 321 L HN 0.941 nan 8.230 nan 0.000 0.410 322 T N 3.974 118.545 114.554 0.028 0.000 2.867 322 T HA 0.860 5.210 4.350 -0.000 0.000 0.282 322 T C -0.272 174.407 174.700 -0.035 0.000 1.000 322 T CA -0.191 61.908 62.100 -0.001 0.000 1.042 322 T CB 1.473 70.334 68.868 -0.011 0.000 0.973 322 T HN 0.800 nan 8.240 nan 0.000 0.465 323 A N 3.016 125.816 122.820 -0.034 0.000 2.342 323 A HA 0.773 5.093 4.320 -0.000 0.000 0.323 323 A C -0.615 176.926 177.584 -0.072 0.000 1.125 323 A CA -0.759 51.235 52.037 -0.071 0.000 0.785 323 A CB 0.626 19.651 19.000 0.041 0.000 1.221 323 A HN 0.851 nan 8.150 nan 0.000 0.463 324 L N 4.129 125.277 121.223 -0.126 0.000 2.445 324 L HA 0.324 4.664 4.340 -0.000 0.000 0.252 324 L C -2.371 174.453 176.870 -0.078 0.000 1.105 324 L CA -1.732 53.054 54.840 -0.089 0.000 0.943 324 L CB 1.313 43.325 42.059 -0.079 0.000 1.277 324 L HN 0.483 nan 8.230 nan 0.000 0.465 325 P HA 0.113 nan 4.420 nan 0.000 0.271 325 P C -0.454 176.811 177.300 -0.058 0.000 1.218 325 P CA -0.102 63.015 63.100 0.028 0.000 0.780 325 P CB 1.924 33.600 31.700 -0.040 0.000 0.901 326 V N 4.095 123.971 119.914 -0.064 0.000 2.459 326 V HA 0.373 4.493 4.120 -0.000 0.000 0.295 326 V C 0.373 176.416 176.094 -0.086 0.000 1.029 326 V CA -0.599 61.660 62.300 -0.069 0.000 0.874 326 V CB 1.633 33.429 31.823 -0.045 0.000 0.985 326 V HN 0.411 nan 8.190 nan 0.000 0.438 327 I N 3.420 123.943 120.570 -0.079 0.000 2.465 327 I HA 0.425 4.595 4.170 -0.000 0.000 0.291 327 I C 0.067 176.169 176.117 -0.025 0.000 1.014 327 I CA -0.429 60.832 61.300 -0.064 0.000 1.093 327 I CB 2.037 39.994 38.000 -0.073 0.000 1.267 327 I HN 0.752 nan 8.210 nan 0.000 0.431 328 E N 4.919 125.115 120.200 -0.006 0.000 2.130 328 E HA 0.320 4.670 4.350 -0.000 0.000 0.284 328 E C -0.383 176.237 176.600 0.032 0.000 1.018 328 E CA -0.382 56.027 56.400 0.015 0.000 0.817 328 E CB 0.971 30.683 29.700 0.020 0.000 1.078 328 E HN 0.701 nan 8.360 nan 0.000 0.396 329 T N 1.959 116.539 114.554 0.043 0.000 2.847 329 T HA 0.310 4.660 4.350 -0.000 0.000 0.279 329 T C -0.028 174.705 174.700 0.055 0.000 0.984 329 T CA -0.982 61.153 62.100 0.059 0.000 0.988 329 T CB 1.376 70.290 68.868 0.076 0.000 1.040 329 T HN 0.339 nan 8.240 nan 0.000 0.528 330 Q N 0.209 120.046 119.800 0.061 0.000 2.333 330 Q HA 0.540 4.880 4.340 -0.000 0.000 0.268 330 Q C 0.317 176.348 176.000 0.052 0.000 1.007 330 Q CA -0.337 55.499 55.803 0.055 0.000 0.810 330 Q CB 1.485 30.259 28.738 0.061 0.000 1.264 330 Q HN 1.219 nan 8.270 nan 0.000 0.452 331 A N 2.168 125.015 122.820 0.045 0.000 2.704 331 A HA -0.175 4.145 4.320 -0.000 0.000 0.299 331 A C 1.167 178.778 177.584 0.044 0.000 1.507 331 A CA 1.616 53.678 52.037 0.042 0.000 0.776 331 A CB -2.099 16.923 19.000 0.037 0.000 1.027 331 A HN 1.593 nan 8.150 nan 0.000 0.475 332 G N -1.370 107.460 108.800 0.051 0.000 2.184 332 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.264 332 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.264 332 G C -0.002 174.931 174.900 0.054 0.000 0.975 332 G CA 0.925 46.057 45.100 0.053 0.000 0.642 332 G HN 1.496 nan 8.290 nan 0.000 0.536 333 D N 1.024 121.459 120.400 0.058 0.000 2.416 333 D HA 0.360 5.000 4.640 -0.000 0.000 0.240 333 D C 1.885 178.233 176.300 0.079 0.000 1.250 333 D CA 0.389 54.426 54.000 0.061 0.000 0.967 333 D CB 0.580 41.417 40.800 0.063 0.000 1.059 333 D HN 0.634 nan 8.370 nan 0.000 0.512 334 V N 1.128 121.090 119.914 0.080 0.000 3.573 334 V HA 0.072 4.192 4.120 -0.000 0.000 0.270 334 V C 1.229 177.387 176.094 0.107 0.000 1.221 334 V CA 0.498 62.869 62.300 0.119 0.000 1.163 334 V CB -0.051 31.863 31.823 0.151 0.000 0.847 334 V HN 0.281 nan 8.190 nan 0.000 0.468 335 S N 0.717 116.468 115.700 0.085 0.000 2.568 335 S HA 0.657 5.127 4.470 -0.000 0.000 0.232 335 S C 1.068 175.733 174.600 0.110 0.000 0.975 335 S CA 0.244 58.498 58.200 0.089 0.000 0.949 335 S CB 0.164 63.403 63.200 0.065 0.000 0.829 335 S HN 0.860 nan 8.310 nan 0.000 0.479 336 A N 0.422 123.311 122.820 0.115 0.000 2.327 336 A HA 0.436 4.756 4.320 -0.000 0.000 0.255 336 A C 0.756 178.458 177.584 0.198 0.000 1.099 336 A CA -0.216 51.907 52.037 0.144 0.000 0.801 336 A CB -0.074 19.005 19.000 0.131 0.000 1.062 336 A HN 0.483 nan 8.150 nan 0.000 0.496 337 Y N 0.156 120.495 120.300 0.065 0.000 2.049 337 Y HA -0.231 4.319 4.550 -0.000 0.000 0.277 337 Y C 1.937 177.844 175.900 0.011 0.000 1.143 337 Y CA 1.885 60.014 58.100 0.048 0.000 1.115 337 Y CB -0.046 38.451 38.460 0.062 0.000 0.975 337 Y HN 0.509 nan 8.280 nan 0.000 0.487 338 I N 0.506 120.989 120.570 -0.145 0.000 2.286 338 I HA -0.192 3.978 4.170 -0.000 0.000 0.248 338 I C -0.743 175.309 176.117 -0.108 0.000 1.115 338 I CA 1.276 62.414 61.300 -0.270 0.000 1.392 338 I CB -2.799 35.029 38.000 -0.285 0.000 1.065 338 I HN 0.250 nan 8.210 nan 0.000 0.418 339 P HA -0.079 nan 4.420 nan 0.000 0.215 339 P C 1.860 179.188 177.300 0.045 0.000 1.157 339 P CA 1.597 64.708 63.100 0.018 0.000 0.863 339 P CB -0.136 31.603 31.700 0.066 0.000 0.787 340 T N -0.463 114.139 114.554 0.081 0.000 2.720 340 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 340 T C 1.609 176.380 174.700 0.119 0.000 1.037 340 T CA 1.521 63.692 62.100 0.118 0.000 1.144 340 T CB -0.940 68.025 68.868 0.162 0.000 0.864 340 T HN 0.098 nan 8.240 nan 0.000 0.444 341 N N 0.850 119.595 118.700 0.075 0.000 2.058 341 N HA -0.063 4.677 4.740 -0.000 0.000 0.191 341 N C 1.936 177.451 175.510 0.008 0.000 1.037 341 N CA 0.867 53.991 53.050 0.124 0.000 0.848 341 N CB -0.803 37.668 38.487 -0.027 0.000 1.021 341 N HN 0.221 nan 8.380 nan 0.000 0.422 342 V N 1.383 121.259 119.914 -0.064 0.000 2.548 342 V HA -0.066 4.054 4.120 -0.000 0.000 0.249 342 V C 2.217 178.274 176.094 -0.062 0.000 1.055 342 V CA 0.812 63.040 62.300 -0.121 0.000 1.065 342 V CB -0.361 31.349 31.823 -0.188 0.000 0.681 342 V HN 0.219 nan 8.190 nan 0.000 0.462 343 I N 1.211 121.778 120.570 -0.005 0.000 2.163 343 I HA -0.261 3.909 4.170 -0.000 0.000 0.243 343 I C 2.739 178.889 176.117 0.055 0.000 1.085 343 I CA 2.028 63.347 61.300 0.031 0.000 1.347 343 I CB -0.469 37.595 38.000 0.107 0.000 1.044 343 I HN 0.503 nan 8.210 nan 0.000 0.408 344 S N 0.896 116.654 115.700 0.098 0.000 2.402 344 S HA -0.106 4.364 4.470 -0.000 0.000 0.229 344 S C 1.958 176.625 174.600 0.112 0.000 1.021 344 S CA 0.863 59.141 58.200 0.130 0.000 0.974 344 S CB -0.679 62.641 63.200 0.200 0.000 0.800 344 S HN 0.415 nan 8.310 nan 0.000 0.484 345 I N 2.275 122.881 120.570 0.060 0.000 2.353 345 I HA -0.054 4.116 4.170 -0.000 0.000 0.248 345 I C 1.541 177.655 176.117 -0.005 0.000 1.119 345 I CA 0.962 62.264 61.300 0.005 0.000 1.417 345 I CB -0.725 37.191 38.000 -0.139 0.000 1.078 345 I HN 0.464 nan 8.210 nan 0.000 0.421 346 T N -2.161 112.381 114.554 -0.020 0.000 2.788 346 T HA 0.077 4.427 4.350 -0.000 0.000 0.287 346 T C 0.645 175.342 174.700 -0.006 0.000 1.007 346 T CA -0.566 61.519 62.100 -0.027 0.000 1.005 346 T CB 0.903 69.738 68.868 -0.055 0.000 1.012 346 T HN 0.042 nan 8.240 nan 0.000 0.530 347 D N 0.139 120.532 120.400 -0.011 0.000 2.348 347 D HA 0.272 4.912 4.640 -0.000 0.000 0.211 347 D C 1.018 177.316 176.300 -0.004 0.000 0.998 347 D CA 0.667 54.666 54.000 -0.002 0.000 0.873 347 D CB 0.197 40.994 40.800 -0.005 0.000 0.925 347 D HN 0.860 nan 8.370 nan 0.000 0.524 348 G N -0.260 108.527 108.800 -0.022 0.000 2.349 348 G HA2 0.417 4.377 3.960 -0.000 0.000 0.294 348 G HA3 0.417 4.377 3.960 -0.000 0.000 0.294 348 G C -1.947 172.896 174.900 -0.094 0.000 1.380 348 G CA -0.740 44.343 45.100 -0.028 0.000 0.811 348 G HN -0.054 nan 8.290 nan 0.000 0.519 349 Q N -1.016 118.694 119.800 -0.149 0.000 2.377 349 Q HA 0.650 4.990 4.340 -0.000 0.000 0.279 349 Q C -0.938 174.829 176.000 -0.389 0.000 1.049 349 Q CA -0.456 55.125 55.803 -0.369 0.000 0.825 349 Q CB 2.840 31.143 28.738 -0.725 0.000 1.401 349 Q HN 0.576 nan 8.270 nan 0.000 0.404 350 I N 2.492 122.834 120.570 -0.380 0.000 2.330 350 I HA 0.369 4.539 4.170 -0.000 0.000 0.286 350 I C -0.952 174.991 176.117 -0.290 0.000 1.025 350 I CA -0.431 60.736 61.300 -0.222 0.000 1.197 350 I CB 0.454 38.390 38.000 -0.107 0.000 1.358 350 I HN 0.475 nan 8.210 nan 0.000 0.467 351 F N 6.803 126.761 119.950 0.013 0.000 2.424 351 F HA 0.425 4.951 4.527 -0.000 0.000 0.356 351 F C 0.213 176.026 175.800 0.021 0.000 1.110 351 F CA -0.420 57.590 58.000 0.016 0.000 1.161 351 F CB 0.636 39.647 39.000 0.018 0.000 1.115 351 F HN 0.164 nan 8.300 nan 0.000 0.507 352 L N 3.713 125.043 121.223 0.177 0.000 2.331 352 L HA 0.607 4.947 4.340 -0.000 0.000 0.275 352 L C -0.551 176.394 176.870 0.125 0.000 1.022 352 L CA -0.780 54.134 54.840 0.124 0.000 0.812 352 L CB 1.783 43.886 42.059 0.075 0.000 1.257 352 L HN 0.578 nan 8.230 nan 0.000 0.435 353 E N 0.094 120.361 120.200 0.112 0.000 2.290 353 E HA 0.125 4.475 4.350 -0.000 0.000 0.274 353 E C -0.227 176.441 176.600 0.113 0.000 0.889 353 E CA -0.409 56.052 56.400 0.101 0.000 0.760 353 E CB 2.522 32.279 29.700 0.095 0.000 1.206 353 E HN 0.579 nan 8.360 nan 0.000 0.419 354 T N 0.969 115.583 114.554 0.101 0.000 2.833 354 T HA -0.185 4.165 4.350 -0.000 0.000 0.269 354 T C 1.478 176.328 174.700 0.250 0.000 1.054 354 T CA 1.807 63.989 62.100 0.135 0.000 1.135 354 T CB 0.101 69.052 68.868 0.139 0.000 0.869 354 T HN 0.507 nan 8.240 nan 0.000 0.466 355 E N 0.416 120.730 120.200 0.190 0.000 2.047 355 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 355 E C 2.327 179.031 176.600 0.174 0.000 0.987 355 E CA 0.999 57.511 56.400 0.187 0.000 0.799 355 E CB -0.350 29.423 29.700 0.121 0.000 0.752 355 E HN 0.553 nan 8.360 nan 0.000 0.449 356 L N 0.094 121.399 121.223 0.138 0.000 2.012 356 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 356 L C 2.688 179.616 176.870 0.098 0.000 1.073 356 L CA 1.583 56.486 54.840 0.105 0.000 0.748 356 L CB -0.704 41.409 42.059 0.090 0.000 0.891 356 L HN 0.169 nan 8.230 nan 0.000 0.431 357 F N 0.157 120.076 119.950 -0.052 0.000 2.063 357 F HA -0.346 4.181 4.527 -0.000 0.000 0.298 357 F C 2.317 177.987 175.800 -0.217 0.000 1.109 357 F CA 1.893 59.786 58.000 -0.179 0.000 1.212 357 F CB -0.376 38.436 39.000 -0.314 0.000 0.973 357 F HN -0.054 nan 8.300 nan 0.000 0.480 358 Y N -0.332 120.144 120.300 0.293 0.000 2.516 358 Y HA -0.031 4.519 4.550 -0.000 0.000 0.291 358 Y C 2.140 178.073 175.900 0.055 0.000 1.131 358 Y CA 0.751 58.955 58.100 0.173 0.000 1.281 358 Y CB -0.334 38.240 38.460 0.189 0.000 1.013 358 Y HN -0.018 nan 8.280 nan 0.000 0.554 359 K N -0.424 120.067 120.400 0.151 0.000 2.439 359 K HA 0.024 4.344 4.320 -0.000 0.000 0.197 359 K C 1.354 177.965 176.600 0.018 0.000 1.041 359 K CA 0.818 57.156 56.287 0.085 0.000 0.970 359 K CB -0.125 32.418 32.500 0.072 0.000 0.773 359 K HN 0.465 nan 8.250 nan 0.000 0.479 360 G N 0.803 109.571 108.800 -0.053 0.000 2.179 360 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.220 360 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.220 360 G C 0.006 174.830 174.900 -0.127 0.000 0.990 360 G CA -0.431 44.602 45.100 -0.111 0.000 0.646 360 G HN 0.112 nan 8.290 nan 0.000 0.517 361 I N 2.271 122.784 120.570 -0.095 0.000 2.293 361 I HA 0.343 4.513 4.170 -0.000 0.000 0.299 361 I C 0.659 176.704 176.117 -0.120 0.000 1.153 361 I CA 0.305 61.563 61.300 -0.071 0.000 1.302 361 I CB -0.573 37.422 38.000 -0.010 0.000 1.460 361 I HN 0.166 nan 8.210 nan 0.000 0.552 362 R N 7.373 127.779 120.500 -0.157 0.000 2.514 362 R HA 0.402 4.742 4.340 -0.000 0.000 0.296 362 R C -2.624 173.610 176.300 -0.109 0.000 1.012 362 R CA -1.645 54.344 56.100 -0.186 0.000 0.897 362 R CB 2.444 32.515 30.300 -0.382 0.000 1.184 362 R HN 0.246 nan 8.270 nan 0.000 0.440 363 P HA -0.015 nan 4.420 nan 0.000 0.268 363 P C -0.216 177.088 177.300 0.006 0.000 1.205 363 P CA -0.091 62.996 63.100 -0.022 0.000 0.771 363 P CB 0.926 32.622 31.700 -0.007 0.000 0.858 364 A N 4.538 127.398 122.820 0.066 0.000 2.916 364 A HA 0.207 4.527 4.320 -0.000 0.000 0.254 364 A C 0.795 178.433 177.584 0.090 0.000 1.544 364 A CA -0.372 51.723 52.037 0.096 0.000 1.224 364 A CB -1.378 17.752 19.000 0.215 0.000 1.012 364 A HN 0.471 nan 8.150 nan 0.000 0.636 365 I N 0.784 121.394 120.570 0.066 0.000 2.371 365 I HA 0.090 4.260 4.170 -0.000 0.000 0.290 365 I C 0.368 176.535 176.117 0.084 0.000 1.028 365 I CA -0.577 60.769 61.300 0.077 0.000 1.345 365 I CB 0.927 38.959 38.000 0.054 0.000 1.407 365 I HN 0.272 nan 8.210 nan 0.000 0.501 366 N N 6.704 125.473 118.700 0.115 0.000 2.663 366 N HA 0.050 4.790 4.740 -0.000 0.000 0.250 366 N C 0.800 176.375 175.510 0.109 0.000 1.129 366 N CA -0.260 52.851 53.050 0.103 0.000 0.995 366 N CB 1.049 39.596 38.487 0.100 0.000 1.324 366 N HN 0.569 nan 8.380 nan 0.000 0.512 367 V N 1.725 121.687 119.914 0.080 0.000 2.809 367 V HA 0.115 4.235 4.120 -0.000 0.000 0.256 367 V C 1.830 177.964 176.094 0.067 0.000 1.080 367 V CA 1.702 64.045 62.300 0.072 0.000 1.102 367 V CB -0.807 31.047 31.823 0.051 0.000 0.705 367 V HN 0.432 nan 8.190 nan 0.000 0.475 368 G N -0.234 108.599 108.800 0.055 0.000 2.650 368 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.214 368 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.214 368 G C 1.251 176.169 174.900 0.031 0.000 1.136 368 G CA 0.950 46.072 45.100 0.036 0.000 0.789 368 G HN 0.531 nan 8.290 nan 0.000 0.536 369 L N -0.265 120.987 121.223 0.050 0.000 2.717 369 L HA 0.464 4.804 4.340 -0.000 0.000 0.239 369 L C 1.128 178.128 176.870 0.216 0.000 1.086 369 L CA 0.226 55.083 54.840 0.028 0.000 0.897 369 L CB 0.454 42.440 42.059 -0.122 0.000 1.214 369 L HN -0.076 nan 8.230 nan 0.000 0.508 370 S N -0.535 115.339 115.700 0.291 0.000 2.579 370 S HA 0.436 4.906 4.470 -0.000 0.000 0.275 370 S C -0.284 174.429 174.600 0.188 0.000 1.345 370 S CA -0.296 58.099 58.200 0.324 0.000 1.031 370 S CB 1.338 64.645 63.200 0.177 0.000 0.892 370 S HN 0.014 nan 8.310 nan 0.000 0.529 371 V N 1.572 121.566 119.914 0.133 0.000 2.789 371 V HA 0.716 4.836 4.120 -0.000 0.000 0.311 371 V C -0.398 175.716 176.094 0.034 0.000 1.073 371 V CA -0.624 61.730 62.300 0.090 0.000 0.921 371 V CB 2.195 34.088 31.823 0.116 0.000 1.009 371 V HN 0.800 nan 8.190 nan 0.000 0.426 372 S N 3.060 118.777 115.700 0.028 0.000 2.673 372 S HA 0.395 4.865 4.470 -0.000 0.000 0.256 372 S C 0.644 175.252 174.600 0.014 0.000 1.141 372 S CA -0.671 57.536 58.200 0.011 0.000 1.109 372 S CB 0.873 64.075 63.200 0.004 0.000 1.101 372 S HN 0.706 nan 8.310 nan 0.000 0.471 373 R N 2.463 122.971 120.500 0.013 0.000 2.189 373 R HA -0.008 4.332 4.340 -0.000 0.000 0.223 373 R C 1.590 177.896 176.300 0.009 0.000 1.092 373 R CA 1.164 57.273 56.100 0.015 0.000 0.989 373 R CB -0.219 30.091 30.300 0.017 0.000 0.876 373 R HN 0.521 nan 8.270 nan 0.000 0.457 374 V N 0.266 120.182 119.914 0.003 0.000 2.379 374 V HA -0.048 4.072 4.120 -0.000 0.000 0.245 374 V C 1.803 177.896 176.094 -0.001 0.000 1.044 374 V CA 1.548 63.848 62.300 -0.001 0.000 1.036 374 V CB -0.877 30.942 31.823 -0.007 0.000 0.664 374 V HN 0.664 nan 8.190 nan 0.000 0.453 375 G N 0.602 109.402 108.800 0.000 0.000 2.651 375 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.315 375 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.315 375 G C 1.160 176.058 174.900 -0.002 0.000 1.258 375 G CA 0.833 45.934 45.100 0.002 0.000 1.002 375 G HN 0.448 nan 8.290 nan 0.000 0.551 376 S N 0.816 116.516 115.700 -0.000 0.000 2.400 376 S HA 0.012 4.482 4.470 -0.000 0.000 0.232 376 S C 2.768 177.364 174.600 -0.007 0.000 1.025 376 S CA 2.196 60.395 58.200 -0.002 0.000 0.993 376 S CB -0.650 62.551 63.200 0.001 0.000 0.808 376 S HN 1.689 nan 8.310 nan 0.000 0.478 377 A N 1.046 123.862 122.820 -0.007 0.000 2.084 377 A HA 0.112 4.432 4.320 -0.000 0.000 0.221 377 A C 1.932 179.505 177.584 -0.018 0.000 1.161 377 A CA 1.551 53.582 52.037 -0.010 0.000 0.653 377 A CB -0.572 18.423 19.000 -0.008 0.000 0.802 377 A HN 0.553 nan 8.150 nan 0.000 0.457 378 A N -1.357 121.451 122.820 -0.020 0.000 2.500 378 A HA 0.408 4.728 4.320 -0.000 0.000 0.267 378 A C 0.601 178.166 177.584 -0.033 0.000 1.290 378 A CA -0.301 51.717 52.037 -0.032 0.000 0.928 378 A CB 0.036 19.016 19.000 -0.034 0.000 1.066 378 A HN 0.596 nan 8.150 nan 0.000 0.516 379 Q N 0.275 120.061 119.800 -0.023 0.000 2.248 379 Q HA 0.459 4.798 4.340 -0.000 0.000 0.263 379 Q C -0.024 175.964 176.000 -0.020 0.000 1.007 379 Q CA -0.559 55.233 55.803 -0.019 0.000 0.877 379 Q CB 1.533 30.267 28.738 -0.007 0.000 1.315 379 Q HN 0.463 nan 8.270 nan 0.000 0.454 380 T N -1.878 112.665 114.554 -0.017 0.000 2.868 380 T HA 0.221 4.571 4.350 -0.000 0.000 0.292 380 T C 0.967 175.664 174.700 -0.004 0.000 1.028 380 T CA -0.545 61.546 62.100 -0.015 0.000 1.059 380 T CB 0.944 69.804 68.868 -0.013 0.000 0.991 380 T HN 0.546 nan 8.240 nan 0.000 0.531 381 R N 1.087 121.585 120.500 -0.003 0.000 2.103 381 R HA -0.127 4.213 4.340 -0.000 0.000 0.242 381 R C 2.718 179.026 176.300 0.013 0.000 1.142 381 R CA 1.514 57.617 56.100 0.004 0.000 0.960 381 R CB -0.948 29.354 30.300 0.003 0.000 0.858 381 R HN 0.843 nan 8.270 nan 0.000 0.439 382 A N 0.883 123.712 122.820 0.015 0.000 1.930 382 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 382 A C 2.104 179.709 177.584 0.036 0.000 1.175 382 A CA 1.296 53.349 52.037 0.028 0.000 0.627 382 A CB -0.313 18.701 19.000 0.024 0.000 0.815 382 A HN 0.241 nan 8.150 nan 0.000 0.443 383 M N 0.295 119.910 119.600 0.025 0.000 2.175 383 M HA -0.055 4.425 4.480 -0.000 0.000 0.264 383 M C 1.877 178.192 176.300 0.024 0.000 1.063 383 M CA 2.235 57.551 55.300 0.028 0.000 1.119 383 M CB -0.470 32.142 32.600 0.020 0.000 1.377 383 M HN 0.386 nan 8.290 nan 0.000 0.415 384 K N -0.518 119.892 120.400 0.017 0.000 2.097 384 K HA -0.242 4.078 4.320 -0.000 0.000 0.206 384 K C 2.179 178.790 176.600 0.018 0.000 1.049 384 K CA 1.832 58.127 56.287 0.013 0.000 0.933 384 K CB -0.297 32.208 32.500 0.008 0.000 0.717 384 K HN 0.652 nan 8.250 nan 0.000 0.442 385 Q N 0.436 120.251 119.800 0.025 0.000 1.993 385 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 385 Q C 2.067 178.085 176.000 0.031 0.000 0.984 385 Q CA 2.323 58.144 55.803 0.030 0.000 0.837 385 Q CB -0.024 28.741 28.738 0.044 0.000 0.902 385 Q HN 0.365 nan 8.270 nan 0.000 0.423 386 V N -2.002 117.940 119.914 0.046 0.000 2.719 386 V HA 0.043 4.163 4.120 -0.000 0.000 0.252 386 V C 2.114 178.220 176.094 0.020 0.000 1.065 386 V CA 1.410 63.734 62.300 0.040 0.000 1.086 386 V CB -1.084 30.786 31.823 0.078 0.000 0.700 386 V HN 0.385 nan 8.190 nan 0.000 0.467 387 A N 1.615 124.448 122.820 0.022 0.000 1.902 387 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 387 A C 2.397 179.986 177.584 0.008 0.000 1.181 387 A CA 1.917 53.962 52.037 0.014 0.000 0.623 387 A CB -1.506 17.503 19.000 0.015 0.000 0.818 387 A HN 0.684 nan 8.150 nan 0.000 0.443 388 G N -0.897 107.907 108.800 0.008 0.000 2.446 388 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 388 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 388 G C 1.596 176.494 174.900 -0.002 0.000 1.168 388 G CA 1.737 46.839 45.100 0.004 0.000 0.771 388 G HN 0.430 nan 8.290 nan 0.000 0.551 389 T N 0.758 115.308 114.554 -0.008 0.000 2.708 389 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 389 T C 2.288 176.974 174.700 -0.023 0.000 1.037 389 T CA 1.468 63.555 62.100 -0.021 0.000 1.146 389 T CB -0.219 68.627 68.868 -0.037 0.000 0.865 389 T HN 0.265 nan 8.240 nan 0.000 0.435 390 M N 0.801 120.390 119.600 -0.019 0.000 2.117 390 M HA -0.104 4.376 4.480 -0.000 0.000 0.262 390 M C 2.318 178.613 176.300 -0.009 0.000 1.065 390 M CA 1.625 56.913 55.300 -0.021 0.000 1.114 390 M CB -0.133 32.458 32.600 -0.016 0.000 1.361 390 M HN 0.065 nan 8.290 nan 0.000 0.408 391 K N 0.253 120.653 120.400 -0.000 0.000 2.001 391 K HA -0.252 4.068 4.320 -0.000 0.000 0.214 391 K C 1.933 178.538 176.600 0.009 0.000 1.050 391 K CA 2.003 58.295 56.287 0.008 0.000 0.934 391 K CB -0.479 32.027 32.500 0.010 0.000 0.718 391 K HN 0.353 nan 8.250 nan 0.000 0.443 392 L N 1.862 123.087 121.223 0.003 0.000 2.042 392 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 392 L C 1.894 178.767 176.870 0.006 0.000 1.076 392 L CA 1.851 56.693 54.840 0.003 0.000 0.749 392 L CB -0.280 41.777 42.059 -0.004 0.000 0.893 392 L HN 0.254 nan 8.230 nan 0.000 0.432 393 E N -0.818 119.381 120.200 -0.002 0.000 2.150 393 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 393 E C 2.270 178.891 176.600 0.034 0.000 0.985 393 E CA 1.127 57.528 56.400 0.000 0.000 0.814 393 E CB -0.173 29.508 29.700 -0.032 0.000 0.752 393 E HN 0.516 nan 8.360 nan 0.000 0.466 394 L N 0.575 121.817 121.223 0.032 0.000 2.072 394 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 394 L C 2.607 179.543 176.870 0.111 0.000 1.079 394 L CA 0.872 55.764 54.840 0.086 0.000 0.752 394 L CB -0.425 41.665 42.059 0.052 0.000 0.906 394 L HN 0.135 nan 8.230 nan 0.000 0.436 395 A N -0.350 122.503 122.820 0.054 0.000 1.908 395 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 395 A C 2.194 179.788 177.584 0.017 0.000 1.181 395 A CA 1.830 53.883 52.037 0.028 0.000 0.627 395 A CB -0.537 18.471 19.000 0.014 0.000 0.818 395 A HN 0.485 nan 8.150 nan 0.000 0.445 396 Q N -2.320 117.497 119.800 0.029 0.000 2.167 396 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 396 Q C 1.966 177.984 176.000 0.030 0.000 0.970 396 Q CA 1.612 57.425 55.803 0.017 0.000 0.855 396 Q CB -0.306 28.443 28.738 0.019 0.000 0.911 396 Q HN 0.869 nan 8.270 nan 0.000 0.438 397 Y N 1.190 121.452 120.300 -0.062 0.000 2.163 397 Y HA -0.168 4.382 4.550 -0.000 0.000 0.288 397 Y C 2.024 177.862 175.900 -0.103 0.000 1.136 397 Y CA 1.469 59.521 58.100 -0.079 0.000 1.147 397 Y CB -0.015 38.406 38.460 -0.065 0.000 0.987 397 Y HN -0.132 nan 8.280 nan 0.000 0.509 398 R N -0.039 120.349 120.500 -0.187 0.000 2.105 398 R HA -0.208 4.132 4.340 -0.000 0.000 0.239 398 R C 2.144 178.259 176.300 -0.308 0.000 1.135 398 R CA 1.634 57.549 56.100 -0.308 0.000 0.967 398 R CB -0.312 29.916 30.300 -0.119 0.000 0.861 398 R HN 0.280 nan 8.270 nan 0.000 0.442 399 E N 0.150 120.228 120.200 -0.203 0.000 2.209 399 E HA -0.129 4.221 4.350 -0.000 0.000 0.196 399 E C 1.283 177.726 176.600 -0.261 0.000 0.993 399 E CA 1.244 57.541 56.400 -0.173 0.000 0.819 399 E CB 0.313 29.958 29.700 -0.093 0.000 0.745 399 E HN 0.316 nan 8.360 nan 0.000 0.477 400 V N -3.435 116.252 119.914 -0.378 0.000 3.253 400 V HA 0.597 4.717 4.120 -0.000 0.000 0.320 400 V C 0.808 176.308 176.094 -0.991 0.000 1.442 400 V CA -0.053 61.901 62.300 -0.576 0.000 1.097 400 V CB -0.225 31.444 31.823 -0.256 0.000 1.008 400 V HN 0.170 nan 8.190 nan 0.000 0.463 401 A N 0.702 123.021 122.820 -0.835 0.000 2.307 401 A HA 0.619 4.939 4.320 -0.000 0.000 0.271 401 A C 1.771 178.965 177.584 -0.650 0.000 1.188 401 A CA 0.919 52.491 52.037 -0.775 0.000 0.810 401 A CB -0.526 17.990 19.000 -0.807 0.000 1.123 401 A HN 2.084 nan 8.150 nan 0.000 0.509 402 A N -2.508 120.134 122.820 -0.297 0.000 3.100 402 A HA -0.197 4.123 4.320 -0.000 0.000 0.268 402 A C 0.391 178.069 177.584 0.157 0.000 1.227 402 A CA 1.782 53.782 52.037 -0.063 0.000 0.967 402 A CB -2.577 16.396 19.000 -0.043 0.000 1.066 402 A HN 0.790 nan 8.150 nan 0.000 0.787 411 D N 0.955 121.369 120.400 0.024 0.000 2.563 411 D HA 0.245 4.885 4.640 -0.000 0.000 0.229 411 D C 1.190 177.505 176.300 0.025 0.000 1.159 411 D CA 1.399 55.412 54.000 0.021 0.000 0.869 411 D CB 1.684 42.498 40.800 0.023 0.000 1.203 411 D HN 0.822 nan 8.370 nan 0.000 0.478 412 A N 3.422 126.251 122.820 0.015 0.000 1.902 412 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 412 A C 2.154 179.746 177.584 0.013 0.000 1.181 412 A CA 1.958 54.002 52.037 0.012 0.000 0.623 412 A CB -0.933 18.069 19.000 0.003 0.000 0.818 412 A HN 0.671 nan 8.150 nan 0.000 0.443 413 A N -0.770 122.058 122.820 0.013 0.000 1.940 413 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 413 A C 2.406 180.003 177.584 0.022 0.000 1.176 413 A CA 2.532 54.576 52.037 0.012 0.000 0.631 413 A CB -1.146 17.860 19.000 0.010 0.000 0.814 413 A HN 0.734 nan 8.150 nan 0.000 0.446 414 T N -2.416 112.162 114.554 0.039 0.000 3.081 414 T HA 0.014 4.364 4.350 -0.000 0.000 0.255 414 T C 1.752 176.489 174.700 0.061 0.000 1.113 414 T CA 1.120 63.253 62.100 0.056 0.000 1.082 414 T CB -0.224 68.694 68.868 0.083 0.000 0.939 414 T HN 0.571 nan 8.240 nan 0.000 0.506 415 Q N 0.153 119.983 119.800 0.048 0.000 2.079 415 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 415 Q C 2.387 178.404 176.000 0.028 0.000 0.974 415 Q CA 1.686 57.515 55.803 0.043 0.000 0.840 415 Q CB -0.146 28.609 28.738 0.029 0.000 0.898 415 Q HN 0.480 nan 8.270 nan 0.000 0.430 416 Q N 0.843 120.651 119.800 0.014 0.000 2.079 416 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 416 Q C 1.790 177.791 176.000 0.001 0.000 0.974 416 Q CA 1.422 57.221 55.803 -0.006 0.000 0.840 416 Q CB -0.266 28.462 28.738 -0.017 0.000 0.898 416 Q HN 0.386 nan 8.270 nan 0.000 0.430 417 L N -0.297 120.941 121.223 0.025 0.000 2.083 417 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 417 L C 2.322 179.264 176.870 0.120 0.000 1.083 417 L CA 0.944 55.814 54.840 0.051 0.000 0.752 417 L CB -0.433 41.656 42.059 0.051 0.000 0.899 417 L HN 0.300 nan 8.230 nan 0.000 0.433 418 L N -1.322 119.981 121.223 0.134 0.000 2.044 418 L HA -0.154 4.186 4.340 -0.000 0.000 0.205 418 L C 2.720 179.621 176.870 0.052 0.000 1.075 418 L CA 0.993 55.961 54.840 0.214 0.000 0.747 418 L CB -0.464 41.687 42.059 0.153 0.000 0.903 418 L HN 0.161 nan 8.230 nan 0.000 0.435 419 S N -0.368 115.335 115.700 0.005 0.000 2.370 419 S HA -0.222 4.248 4.470 -0.000 0.000 0.226 419 S C 2.032 176.567 174.600 -0.109 0.000 1.033 419 S CA 1.386 59.558 58.200 -0.047 0.000 1.011 419 S CB -0.236 62.941 63.200 -0.038 0.000 0.852 419 S HN 0.255 nan 8.310 nan 0.000 0.457 420 R N 1.526 121.959 120.500 -0.112 0.000 2.062 420 R HA 0.014 4.354 4.340 -0.000 0.000 0.231 420 R C 2.358 178.507 176.300 -0.251 0.000 1.136 420 R CA 1.880 57.890 56.100 -0.150 0.000 0.948 420 R CB -1.366 28.868 30.300 -0.110 0.000 0.845 420 R HN 0.354 nan 8.270 nan 0.000 0.430 421 G N -0.287 108.283 108.800 -0.383 0.000 2.446 421 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 421 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 421 G C 1.493 175.862 174.900 -0.885 0.000 1.168 421 G CA 1.124 45.698 45.100 -0.876 0.000 0.771 421 G HN 0.255 nan 8.290 nan 0.000 0.551 422 V N 0.456 119.944 119.914 -0.710 0.000 2.392 422 V HA -0.185 3.935 4.120 -0.000 0.000 0.249 422 V C 2.972 178.928 176.094 -0.230 0.000 1.059 422 V CA 2.211 64.294 62.300 -0.361 0.000 1.051 422 V CB -0.414 31.309 31.823 -0.166 0.000 0.658 422 V HN 0.317 nan 8.190 nan 0.000 0.455 423 R N -0.688 119.684 120.500 -0.213 0.000 2.075 423 R HA 0.035 4.375 4.340 -0.000 0.000 0.226 423 R C 2.248 178.462 176.300 -0.143 0.000 1.114 423 R CA 1.051 57.060 56.100 -0.152 0.000 0.972 423 R CB -0.291 29.922 30.300 -0.144 0.000 0.869 423 R HN 0.401 nan 8.270 nan 0.000 0.437 424 L N -0.050 121.069 121.223 -0.172 0.000 2.131 424 L HA -0.173 4.166 4.340 -0.000 0.000 0.210 424 L C 2.154 178.959 176.870 -0.109 0.000 1.092 424 L CA 1.264 56.027 54.840 -0.128 0.000 0.759 424 L CB -0.648 41.331 42.059 -0.133 0.000 0.903 424 L HN 0.251 nan 8.230 nan 0.000 0.435 425 T N -0.880 113.584 114.554 -0.149 0.000 2.708 425 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 425 T C 1.788 176.451 174.700 -0.062 0.000 1.037 425 T CA 1.192 63.234 62.100 -0.097 0.000 1.146 425 T CB -0.127 68.675 68.868 -0.109 0.000 0.865 425 T HN 0.306 nan 8.240 nan 0.000 0.435 426 E N 1.129 121.290 120.200 -0.066 0.000 2.118 426 E HA -0.038 4.312 4.350 -0.000 0.000 0.195 426 E C 2.276 178.863 176.600 -0.022 0.000 0.992 426 E CA 0.725 57.103 56.400 -0.037 0.000 0.804 426 E CB -0.428 29.253 29.700 -0.031 0.000 0.741 426 E HN 0.473 nan 8.360 nan 0.000 0.458 427 L N 0.373 121.580 121.223 -0.026 0.000 2.275 427 L HA -0.117 4.223 4.340 -0.000 0.000 0.215 427 L C 2.321 179.190 176.870 -0.002 0.000 1.119 427 L CA 0.529 55.366 54.840 -0.004 0.000 0.790 427 L CB -0.222 41.832 42.059 -0.008 0.000 0.919 427 L HN 0.095 nan 8.230 nan 0.000 0.443 428 L N -0.819 120.395 121.223 -0.014 0.000 2.492 428 L HA -0.013 4.327 4.340 -0.000 0.000 0.223 428 L C 1.002 177.863 176.870 -0.015 0.000 1.132 428 L CA 0.152 54.986 54.840 -0.010 0.000 0.850 428 L CB -0.200 41.853 42.059 -0.010 0.000 0.966 428 L HN 0.125 nan 8.230 nan 0.000 0.454 429 K N 1.119 121.507 120.400 -0.021 0.000 2.380 429 K HA 0.126 4.446 4.320 -0.000 0.000 0.267 429 K C -0.058 176.525 176.600 -0.029 0.000 0.990 429 K CA 0.497 56.764 56.287 -0.032 0.000 0.946 429 K CB 0.475 32.954 32.500 -0.034 0.000 0.937 429 K HN -0.015 nan 8.250 nan 0.000 0.491 430 Q N 0.157 119.929 119.800 -0.046 0.000 2.403 430 Q HA 0.277 4.617 4.340 -0.000 0.000 0.267 430 Q C -0.999 174.958 176.000 -0.071 0.000 0.991 430 Q CA -0.542 55.234 55.803 -0.044 0.000 0.906 430 Q CB 1.632 30.348 28.738 -0.036 0.000 1.422 430 Q HN 0.789 nan 8.270 nan 0.000 0.400 431 G N 1.835 110.595 108.800 -0.067 0.000 2.599 431 G HA2 0.257 4.217 3.960 -0.000 0.000 0.264 431 G HA3 0.257 4.217 3.960 -0.000 0.000 0.264 431 G C -0.492 174.321 174.900 -0.144 0.000 1.200 431 G CA -0.218 44.826 45.100 -0.095 0.000 0.896 431 G HN 0.613 nan 8.290 nan 0.000 0.536 432 Q N -1.397 118.249 119.800 -0.257 0.000 2.382 432 Q HA 0.277 4.617 4.340 -0.000 0.000 0.229 432 Q C -0.368 175.396 176.000 -0.394 0.000 1.006 432 Q CA -0.202 55.301 55.803 -0.501 0.000 0.916 432 Q CB 0.627 28.707 28.738 -1.097 0.000 1.235 432 Q HN 0.641 nan 8.270 nan 0.000 0.512 433 Y N -1.530 118.763 120.300 -0.012 0.000 4.409 433 Y HA -0.263 4.286 4.550 -0.000 0.000 0.228 433 Y C 0.083 175.970 175.900 -0.021 0.000 1.108 433 Y CA 0.127 58.217 58.100 -0.018 0.000 1.955 433 Y CB -1.696 36.752 38.460 -0.019 0.000 1.615 433 Y HN 0.317 nan 8.280 nan 0.000 0.665 434 S N 0.446 116.177 115.700 0.051 0.000 2.300 434 S HA 0.233 4.703 4.470 -0.000 0.000 0.172 434 S C -2.244 172.355 174.600 -0.002 0.000 1.484 434 S CA -0.921 57.294 58.200 0.026 0.000 1.265 434 S CB 0.840 64.049 63.200 0.015 0.000 1.313 434 S HN 0.066 nan 8.310 nan 0.000 0.387 435 P HA 0.132 nan 4.420 nan 0.000 0.267 435 P C -0.559 176.726 177.300 -0.024 0.000 1.200 435 P CA 0.043 63.137 63.100 -0.010 0.000 0.772 435 P CB 0.442 32.139 31.700 -0.004 0.000 0.855 436 M N 1.282 120.869 119.600 -0.021 0.000 2.508 436 M HA 0.538 5.018 4.480 -0.000 0.000 0.327 436 M C 0.478 176.761 176.300 -0.028 0.000 1.160 436 M CA -0.978 54.305 55.300 -0.029 0.000 0.980 436 M CB 2.021 34.611 32.600 -0.017 0.000 1.693 436 M HN 0.302 nan 8.290 nan 0.000 0.452 437 A N 1.224 124.016 122.820 -0.046 0.000 2.466 437 A HA 0.161 4.481 4.320 -0.000 0.000 0.238 437 A C 0.920 178.504 177.584 -0.000 0.000 1.074 437 A CA -0.269 51.748 52.037 -0.033 0.000 0.774 437 A CB 0.051 19.018 19.000 -0.055 0.000 1.015 437 A HN 0.926 nan 8.150 nan 0.000 0.498 438 I N 0.363 120.951 120.570 0.029 0.000 2.394 438 I HA -0.142 4.027 4.170 -0.000 0.000 0.251 438 I C 1.912 178.037 176.117 0.014 0.000 1.136 438 I CA 1.908 63.226 61.300 0.030 0.000 1.425 438 I CB -0.394 37.633 38.000 0.045 0.000 1.079 438 I HN 0.778 nan 8.210 nan 0.000 0.425 439 E N 0.353 120.553 120.200 -0.000 0.000 2.150 439 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 439 E C 1.936 178.523 176.600 -0.022 0.000 0.985 439 E CA 1.310 57.701 56.400 -0.015 0.000 0.814 439 E CB -0.631 29.049 29.700 -0.034 0.000 0.752 439 E HN 0.576 nan 8.360 nan 0.000 0.466 440 E N 1.053 121.236 120.200 -0.028 0.000 2.072 440 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 440 E C 2.160 178.766 176.600 0.010 0.000 0.982 440 E CA 0.936 57.316 56.400 -0.034 0.000 0.803 440 E CB -0.180 29.489 29.700 -0.051 0.000 0.755 440 E HN 0.353 nan 8.360 nan 0.000 0.453 441 Q N 0.645 120.454 119.800 0.016 0.000 2.030 441 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 441 Q C 2.488 178.523 176.000 0.059 0.000 0.986 441 Q CA 1.661 57.485 55.803 0.035 0.000 0.843 441 Q CB -0.235 28.520 28.738 0.028 0.000 0.904 441 Q HN 0.146 nan 8.270 nan 0.000 0.420 442 V N 1.218 121.164 119.914 0.053 0.000 2.287 442 V HA -0.328 3.792 4.120 -0.000 0.000 0.248 442 V C 2.349 178.516 176.094 0.121 0.000 1.053 442 V CA 1.929 64.277 62.300 0.079 0.000 1.027 442 V CB -1.171 30.683 31.823 0.053 0.000 0.646 442 V HN 0.443 nan 8.190 nan 0.000 0.447 443 A N -0.359 122.511 122.820 0.083 0.000 1.908 443 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 443 A C 2.411 180.162 177.584 0.278 0.000 1.181 443 A CA 2.318 54.430 52.037 0.125 0.000 0.627 443 A CB -0.750 18.282 19.000 0.054 0.000 0.818 443 A HN 0.346 nan 8.150 nan 0.000 0.445 444 V N 0.415 120.468 119.914 0.232 0.000 2.270 444 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 444 V C 2.448 178.636 176.094 0.157 0.000 1.043 444 V CA 1.808 64.240 62.300 0.220 0.000 1.014 444 V CB -0.631 31.287 31.823 0.159 0.000 0.645 444 V HN 0.516 nan 8.190 nan 0.000 0.447 445 I N -0.610 120.038 120.570 0.131 0.000 2.226 445 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 445 I C 2.328 178.511 176.117 0.111 0.000 1.100 445 I CA 1.698 63.051 61.300 0.090 0.000 1.374 445 I CB -1.431 36.610 38.000 0.068 0.000 1.057 445 I HN 0.412 nan 8.210 nan 0.000 0.413 446 Y N 2.115 122.444 120.300 0.049 0.000 2.040 446 Y HA -0.360 4.190 4.550 -0.000 0.000 0.275 446 Y C 2.674 178.627 175.900 0.087 0.000 1.171 446 Y CA 2.591 60.731 58.100 0.066 0.000 1.123 446 Y CB -0.351 38.157 38.460 0.079 0.000 0.963 446 Y HN 0.151 nan 8.280 nan 0.000 0.493 447 A N 0.125 123.146 122.820 0.335 0.000 1.915 447 A HA -0.280 4.040 4.320 -0.000 0.000 0.220 447 A C 2.433 180.050 177.584 0.055 0.000 1.198 447 A CA 2.338 54.491 52.037 0.193 0.000 0.647 447 A CB -1.825 17.159 19.000 -0.028 0.000 0.825 447 A HN 0.670 nan 8.150 nan 0.000 0.456 448 G N -0.795 107.996 108.800 -0.016 0.000 2.395 448 G HA2 -0.016 3.943 3.960 -0.000 0.000 0.214 448 G HA3 -0.016 3.943 3.960 -0.000 0.000 0.214 448 G C 1.555 176.380 174.900 -0.125 0.000 1.177 448 G CA 1.598 46.649 45.100 -0.081 0.000 0.794 448 G HN 1.082 nan 8.290 nan 0.000 0.532 449 V N -1.603 118.234 119.914 -0.128 0.000 2.970 449 V HA 0.156 4.276 4.120 -0.000 0.000 0.260 449 V C 2.125 178.075 176.094 -0.240 0.000 1.100 449 V CA 1.008 63.212 62.300 -0.160 0.000 1.122 449 V CB -0.379 31.369 31.823 -0.125 0.000 0.721 449 V HN 0.107 nan 8.190 nan 0.000 0.483 450 R N 1.067 121.367 120.500 -0.332 0.000 2.317 450 R HA 0.336 4.676 4.340 -0.000 0.000 0.208 450 R C 1.787 177.763 176.300 -0.540 0.000 0.914 450 R CA 0.496 56.332 56.100 -0.441 0.000 1.060 450 R CB -0.269 29.704 30.300 -0.544 0.000 1.015 450 R HN 0.840 nan 8.270 nan 0.000 0.498 451 G N 0.483 109.051 108.800 -0.387 0.000 2.159 451 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.256 451 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.256 451 G C 0.603 175.272 174.900 -0.385 0.000 0.977 451 G CA 0.266 45.151 45.100 -0.359 0.000 0.652 451 G HN 0.424 nan 8.290 nan 0.000 0.531 452 Y N 0.015 120.226 120.300 -0.149 0.000 2.497 452 Y HA 0.216 4.766 4.550 -0.000 0.000 0.292 452 Y C 2.489 178.259 175.900 -0.217 0.000 1.137 452 Y CA 1.340 59.351 58.100 -0.148 0.000 1.285 452 Y CB 0.084 38.472 38.460 -0.121 0.000 0.991 452 Y HN 0.387 nan 8.280 nan 0.000 0.556 453 L N -0.746 120.390 121.223 -0.144 0.000 2.857 453 L HA 0.121 4.461 4.340 -0.000 0.000 0.249 453 L C 0.690 177.456 176.870 -0.173 0.000 1.172 453 L CA -0.106 54.593 54.840 -0.236 0.000 0.980 453 L CB 0.052 41.923 42.059 -0.314 0.000 1.299 453 L HN 0.042 nan 8.230 nan 0.000 0.535 454 D N 1.313 121.627 120.400 -0.144 0.000 2.263 454 D HA -0.147 4.493 4.640 -0.000 0.000 0.208 454 D C 1.557 177.803 176.300 -0.090 0.000 0.971 454 D CA 1.324 55.253 54.000 -0.118 0.000 0.867 454 D CB 0.225 40.955 40.800 -0.118 0.000 0.929 454 D HN 0.210 nan 8.370 nan 0.000 0.492 455 K N -0.451 119.898 120.400 -0.084 0.000 2.373 455 K HA 0.153 4.473 4.320 -0.000 0.000 0.202 455 K C -0.046 176.524 176.600 -0.050 0.000 1.025 455 K CA -0.384 55.870 56.287 -0.055 0.000 1.115 455 K CB 0.637 33.115 32.500 -0.038 0.000 0.858 455 K HN -0.036 nan 8.250 nan 0.000 0.525 456 L N 1.683 122.858 121.223 -0.081 0.000 2.350 456 L HA 0.192 4.532 4.340 -0.000 0.000 0.275 456 L C -0.087 176.762 176.870 -0.034 0.000 1.099 456 L CA -0.180 54.622 54.840 -0.063 0.000 0.808 456 L CB 0.968 42.934 42.059 -0.157 0.000 1.149 456 L HN 0.078 nan 8.230 nan 0.000 0.442 457 E N 6.035 126.241 120.200 0.010 0.000 2.415 457 E HA 0.019 4.369 4.350 -0.000 0.000 0.263 457 E C -1.743 174.865 176.600 0.012 0.000 0.995 457 E CA -1.138 55.271 56.400 0.015 0.000 0.915 457 E CB 0.997 30.718 29.700 0.035 0.000 0.951 457 E HN 0.536 nan 8.360 nan 0.000 0.449 458 P HA -0.203 nan 4.420 nan 0.000 0.216 458 P C 1.170 178.478 177.300 0.014 0.000 1.150 458 P CA 1.518 64.611 63.100 -0.011 0.000 0.843 458 P CB 0.074 31.763 31.700 -0.019 0.000 0.787 459 S N -1.525 114.192 115.700 0.030 0.000 2.507 459 S HA -0.048 4.422 4.470 -0.000 0.000 0.235 459 S C 1.469 176.115 174.600 0.077 0.000 0.988 459 S CA 0.824 59.051 58.200 0.044 0.000 0.944 459 S CB -0.692 62.533 63.200 0.040 0.000 0.762 459 S HN 0.037 nan 8.310 nan 0.000 0.526 460 K N 0.704 121.166 120.400 0.104 0.000 2.358 460 K HA 0.441 4.760 4.320 -0.000 0.000 0.197 460 K C 1.388 178.111 176.600 0.205 0.000 1.025 460 K CA -0.094 56.311 56.287 0.197 0.000 1.104 460 K CB -0.450 32.219 32.500 0.281 0.000 0.855 460 K HN 0.421 nan 8.250 nan 0.000 0.531 461 I N 1.053 121.687 120.570 0.106 0.000 2.208 461 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 461 I C 1.850 178.047 176.117 0.133 0.000 1.097 461 I CA 1.413 62.764 61.300 0.084 0.000 1.363 461 I CB -0.358 37.648 38.000 0.010 0.000 1.051 461 I HN 0.092 nan 8.210 nan 0.000 0.413 462 T N 0.174 114.789 114.554 0.103 0.000 2.746 462 T HA -0.241 4.109 4.350 -0.000 0.000 0.267 462 T C 1.969 176.741 174.700 0.120 0.000 1.039 462 T CA 1.392 63.546 62.100 0.090 0.000 1.142 462 T CB -0.158 68.745 68.868 0.058 0.000 0.866 462 T HN 0.281 nan 8.240 nan 0.000 0.444 463 K N -0.108 120.399 120.400 0.179 0.000 2.057 463 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 463 K C 2.073 178.801 176.600 0.213 0.000 1.050 463 K CA 1.041 57.473 56.287 0.242 0.000 0.935 463 K CB -0.286 32.422 32.500 0.346 0.000 0.715 463 K HN 0.323 nan 8.250 nan 0.000 0.439 464 F N 2.286 122.198 119.950 -0.063 0.000 2.046 464 F HA -0.258 4.269 4.527 -0.000 0.000 0.297 464 F C 2.341 178.059 175.800 -0.137 0.000 1.123 464 F CA 2.232 59.932 58.000 -0.499 0.000 1.199 464 F CB -0.388 38.229 39.000 -0.638 0.000 0.972 464 F HN 0.160 nan 8.300 nan 0.000 0.474 465 E N 0.120 120.328 120.200 0.014 0.000 2.058 465 E HA -0.330 4.020 4.350 -0.000 0.000 0.194 465 E C 2.151 178.727 176.600 -0.040 0.000 0.997 465 E CA 1.470 57.876 56.400 0.011 0.000 0.801 465 E CB -0.521 29.250 29.700 0.118 0.000 0.746 465 E HN 0.469 nan 8.360 nan 0.000 0.450 466 N N 0.866 119.562 118.700 -0.007 0.000 2.043 466 N HA -0.187 4.553 4.740 -0.000 0.000 0.193 466 N C 1.689 177.187 175.510 -0.020 0.000 1.037 466 N CA 2.236 55.286 53.050 -0.000 0.000 0.851 466 N CB -0.549 37.963 38.487 0.041 0.000 1.027 466 N HN 0.245 nan 8.380 nan 0.000 0.422 467 A N -0.445 122.382 122.820 0.012 0.000 1.930 467 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 467 A C 2.195 179.725 177.584 -0.089 0.000 1.175 467 A CA 1.070 53.173 52.037 0.110 0.000 0.627 467 A CB -1.075 18.153 19.000 0.380 0.000 0.815 467 A HN 0.458 nan 8.150 nan 0.000 0.443 468 F N -0.013 119.545 119.950 -0.654 0.000 2.186 468 F HA -0.100 4.426 4.527 -0.000 0.000 0.299 468 F C 1.716 177.184 175.800 -0.554 0.000 1.090 468 F CA 1.451 58.789 58.000 -1.103 0.000 1.307 468 F CB -0.243 38.013 39.000 -1.240 0.000 1.019 468 F HN 0.174 nan 8.300 nan 0.000 0.489 469 L N 0.063 121.048 121.223 -0.397 0.000 2.027 469 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 469 L C 2.557 179.251 176.870 -0.294 0.000 1.074 469 L CA 1.982 56.601 54.840 -0.370 0.000 0.745 469 L CB -1.192 40.774 42.059 -0.154 0.000 0.898 469 L HN 0.126 nan 8.230 nan 0.000 0.433 470 S N -1.513 114.085 115.700 -0.170 0.000 2.370 470 S HA -0.284 4.185 4.470 -0.000 0.000 0.226 470 S C 1.966 176.510 174.600 -0.094 0.000 1.033 470 S CA 1.488 59.631 58.200 -0.095 0.000 1.011 470 S CB -0.654 62.539 63.200 -0.012 0.000 0.852 470 S HN 0.638 nan 8.310 nan 0.000 0.457 471 H N 1.950 120.886 119.070 -0.222 0.000 2.321 471 H HA -0.061 4.494 4.556 -0.000 0.000 0.300 471 H C 2.059 177.255 175.328 -0.220 0.000 1.087 471 H CA 1.969 57.909 56.048 -0.181 0.000 1.319 471 H CB -0.530 29.113 29.762 -0.199 0.000 1.379 471 H HN 0.259 nan 8.280 nan 0.000 0.501 472 V N -1.293 118.281 119.914 -0.565 0.000 2.548 472 V HA -0.094 4.026 4.120 -0.000 0.000 0.249 472 V C 2.459 178.354 176.094 -0.333 0.000 1.055 472 V CA 1.760 63.748 62.300 -0.521 0.000 1.065 472 V CB -0.778 30.627 31.823 -0.697 0.000 0.681 472 V HN 0.390 nan 8.190 nan 0.000 0.462 473 I N 1.147 121.546 120.570 -0.286 0.000 2.394 473 I HA -0.167 4.003 4.170 -0.000 0.000 0.251 473 I C 2.823 178.836 176.117 -0.173 0.000 1.136 473 I CA 1.783 62.966 61.300 -0.195 0.000 1.425 473 I CB -0.237 37.669 38.000 -0.156 0.000 1.079 473 I HN 0.488 nan 8.210 nan 0.000 0.425 474 S N 0.409 116.001 115.700 -0.180 0.000 2.317 474 S HA -0.146 4.324 4.470 -0.000 0.000 0.212 474 S C 1.923 176.394 174.600 -0.215 0.000 1.030 474 S CA 0.971 59.082 58.200 -0.148 0.000 0.970 474 S CB -0.133 63.020 63.200 -0.077 0.000 0.928 474 S HN 0.403 nan 8.310 nan 0.000 0.451 475 Q N -0.725 118.873 119.800 -0.338 0.000 2.331 475 Q HA 0.081 4.421 4.340 -0.000 0.000 0.203 475 Q C 0.218 175.755 176.000 -0.771 0.000 0.944 475 Q CA 0.644 56.135 55.803 -0.521 0.000 0.892 475 Q CB 0.096 28.482 28.738 -0.587 0.000 0.983 475 Q HN 0.669 nan 8.270 nan 0.000 0.482 476 H N 0.058 118.951 119.070 -0.295 0.000 2.587 476 H HA 0.191 4.747 4.556 -0.000 0.000 0.245 476 H C 0.844 176.056 175.328 -0.194 0.000 1.238 476 H CA -0.180 55.727 56.048 -0.235 0.000 0.963 476 H CB 0.724 30.317 29.762 -0.281 0.000 1.904 476 H HN 0.182 nan 8.280 nan 0.000 0.584 477 Q N 0.689 120.419 119.800 -0.118 0.000 2.152 477 Q HA -0.113 4.227 4.340 -0.000 0.000 0.206 477 Q C 2.203 178.161 176.000 -0.069 0.000 0.985 477 Q CA 1.325 57.070 55.803 -0.097 0.000 0.863 477 Q CB 0.088 28.767 28.738 -0.097 0.000 0.904 477 Q HN 0.542 nan 8.270 nan 0.000 0.422 478 A N 0.873 123.660 122.820 -0.055 0.000 1.933 478 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 478 A C 2.075 179.639 177.584 -0.034 0.000 1.175 478 A CA 0.929 52.943 52.037 -0.037 0.000 0.628 478 A CB -0.637 18.349 19.000 -0.025 0.000 0.814 478 A HN 0.368 nan 8.150 nan 0.000 0.444 479 L N -0.433 120.774 121.223 -0.027 0.000 2.027 479 L HA -0.126 4.214 4.340 -0.000 0.000 0.206 479 L C 2.452 179.276 176.870 -0.077 0.000 1.074 479 L CA 1.545 56.349 54.840 -0.059 0.000 0.745 479 L CB -0.474 41.532 42.059 -0.089 0.000 0.898 479 L HN 0.434 nan 8.230 nan 0.000 0.433 480 L N -0.344 120.829 121.223 -0.083 0.000 2.013 480 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 480 L C 2.656 179.489 176.870 -0.062 0.000 1.073 480 L CA 1.436 56.225 54.840 -0.084 0.000 0.753 480 L CB -1.324 40.677 42.059 -0.097 0.000 0.890 480 L HN 0.374 nan 8.230 nan 0.000 0.432 481 G N 0.126 108.894 108.800 -0.053 0.000 2.514 481 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 481 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 481 G C 1.653 176.532 174.900 -0.035 0.000 1.198 481 G CA 0.694 45.770 45.100 -0.041 0.000 0.780 481 G HN 0.211 nan 8.290 nan 0.000 0.565 482 K N 0.208 120.585 120.400 -0.038 0.000 2.097 482 K HA 0.037 4.356 4.320 -0.000 0.000 0.206 482 K C 2.499 179.077 176.600 -0.037 0.000 1.049 482 K CA 0.674 56.941 56.287 -0.034 0.000 0.933 482 K CB -0.341 32.136 32.500 -0.037 0.000 0.717 482 K HN 0.427 nan 8.250 nan 0.000 0.442 483 I N 0.671 121.212 120.570 -0.049 0.000 2.226 483 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 483 I C 2.823 178.924 176.117 -0.027 0.000 1.100 483 I CA 1.013 62.285 61.300 -0.047 0.000 1.374 483 I CB -0.217 37.744 38.000 -0.065 0.000 1.057 483 I HN 0.153 nan 8.210 nan 0.000 0.413 484 R N 0.237 120.721 120.500 -0.027 0.000 2.073 484 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 484 R C 2.252 178.544 176.300 -0.012 0.000 1.134 484 R CA 2.054 58.144 56.100 -0.016 0.000 0.952 484 R CB -0.249 30.041 30.300 -0.017 0.000 0.850 484 R HN 0.245 nan 8.270 nan 0.000 0.433 485 T N 0.632 115.176 114.554 -0.016 0.000 2.894 485 T HA -0.038 4.312 4.350 -0.000 0.000 0.258 485 T C 0.982 175.675 174.700 -0.012 0.000 1.043 485 T CA 0.971 63.063 62.100 -0.013 0.000 1.141 485 T CB -0.119 68.740 68.868 -0.015 0.000 0.873 485 T HN 0.244 nan 8.240 nan 0.000 0.449 486 D N 0.828 121.220 120.400 -0.013 0.000 2.351 486 D HA 0.023 4.663 4.640 -0.000 0.000 0.216 486 D C 1.607 177.904 176.300 -0.005 0.000 0.968 486 D CA 0.931 54.926 54.000 -0.009 0.000 0.899 486 D CB -0.504 40.290 40.800 -0.010 0.000 0.907 486 D HN 0.537 nan 8.370 nan 0.000 0.514 487 G N 1.022 109.820 108.800 -0.005 0.000 2.225 487 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.267 487 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.267 487 G C 0.252 175.154 174.900 0.004 0.000 1.024 487 G CA 0.866 45.965 45.100 -0.002 0.000 0.784 487 G HN 0.497 nan 8.290 nan 0.000 0.507 488 K N -1.108 119.296 120.400 0.008 0.000 3.136 488 K HA 0.044 4.364 4.320 -0.000 0.000 0.392 488 K C 0.052 176.664 176.600 0.021 0.000 1.300 488 K CA -0.870 55.428 56.287 0.019 0.000 1.021 488 K CB -0.166 32.345 32.500 0.019 0.000 1.235 488 K HN 0.301 nan 8.250 nan 0.000 0.439 489 I N 4.544 125.136 120.570 0.037 0.000 2.907 489 I HA -0.104 4.066 4.170 -0.000 0.000 0.285 489 I C 1.058 177.197 176.117 0.036 0.000 1.189 489 I CA 0.584 61.905 61.300 0.036 0.000 1.376 489 I CB 0.017 38.070 38.000 0.088 0.000 1.420 489 I HN 0.595 nan 8.210 nan 0.000 0.544 490 S N 4.716 120.422 115.700 0.010 0.000 2.608 490 S HA 0.089 4.559 4.470 -0.000 0.000 0.261 490 S C 1.052 175.664 174.600 0.021 0.000 1.314 490 S CA -0.417 57.790 58.200 0.012 0.000 0.992 490 S CB 1.230 64.429 63.200 -0.001 0.000 0.935 490 S HN 0.672 nan 8.310 nan 0.000 0.564 491 E N 0.503 120.716 120.200 0.023 0.000 2.110 491 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 491 E C 2.044 178.655 176.600 0.019 0.000 0.988 491 E CA 1.346 57.764 56.400 0.030 0.000 0.804 491 E CB -0.077 29.638 29.700 0.026 0.000 0.745 491 E HN 0.715 nan 8.360 nan 0.000 0.458 492 E N 0.328 120.531 120.200 0.005 0.000 2.023 492 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 492 E C 2.274 178.859 176.600 -0.025 0.000 1.003 492 E CA 1.239 57.636 56.400 -0.006 0.000 0.809 492 E CB -0.151 29.543 29.700 -0.010 0.000 0.755 492 E HN 0.081 nan 8.360 nan 0.000 0.449 493 S N 1.193 116.867 115.700 -0.044 0.000 2.383 493 S HA -0.182 4.288 4.470 -0.000 0.000 0.229 493 S C 1.608 176.136 174.600 -0.119 0.000 1.030 493 S CA 1.134 59.276 58.200 -0.096 0.000 1.002 493 S CB -0.308 62.822 63.200 -0.116 0.000 0.829 493 S HN 0.234 nan 8.310 nan 0.000 0.467 494 D N 1.406 121.781 120.400 -0.042 0.000 2.104 494 D HA -0.087 4.553 4.640 -0.000 0.000 0.194 494 D C 2.143 178.471 176.300 0.047 0.000 0.994 494 D CA 1.422 55.452 54.000 0.051 0.000 0.830 494 D CB -0.271 40.603 40.800 0.123 0.000 0.959 494 D HN 0.387 nan 8.370 nan 0.000 0.452 495 A N 0.449 123.284 122.820 0.024 0.000 1.898 495 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 495 A C 2.106 179.681 177.584 -0.015 0.000 1.181 495 A CA 1.789 53.839 52.037 0.023 0.000 0.620 495 A CB -0.322 18.690 19.000 0.021 0.000 0.819 495 A HN 0.082 nan 8.150 nan 0.000 0.442 496 K N 0.022 120.392 120.400 -0.049 0.000 2.057 496 K HA 0.052 4.372 4.320 -0.000 0.000 0.206 496 K C 1.732 178.250 176.600 -0.137 0.000 1.050 496 K CA 1.270 57.504 56.287 -0.088 0.000 0.935 496 K CB -0.570 31.871 32.500 -0.099 0.000 0.715 496 K HN 0.437 nan 8.250 nan 0.000 0.439 497 L N 0.535 121.662 121.223 -0.161 0.000 2.056 497 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 497 L C 2.543 179.305 176.870 -0.180 0.000 1.078 497 L CA 1.475 56.197 54.840 -0.196 0.000 0.749 497 L CB -0.353 41.486 42.059 -0.368 0.000 0.901 497 L HN 0.247 nan 8.230 nan 0.000 0.433 498 K N 0.269 120.579 120.400 -0.151 0.000 2.097 498 K HA -0.258 4.062 4.320 -0.000 0.000 0.205 498 K C 1.996 178.508 176.600 -0.147 0.000 1.050 498 K CA 1.720 57.860 56.287 -0.244 0.000 0.938 498 K CB 0.010 32.514 32.500 0.008 0.000 0.718 498 K HN 0.354 nan 8.250 nan 0.000 0.442 499 E N 0.753 120.913 120.200 -0.066 0.000 2.028 499 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 499 E C 2.020 178.621 176.600 0.001 0.000 0.988 499 E CA 1.437 57.826 56.400 -0.017 0.000 0.799 499 E CB -0.187 29.507 29.700 -0.010 0.000 0.755 499 E HN 0.362 nan 8.360 nan 0.000 0.447 500 I N 0.854 121.403 120.570 -0.034 0.000 2.163 500 I HA -0.270 3.900 4.170 -0.000 0.000 0.243 500 I C 2.519 178.734 176.117 0.164 0.000 1.085 500 I CA 0.908 62.235 61.300 0.045 0.000 1.347 500 I CB -0.217 37.721 38.000 -0.102 0.000 1.044 500 I HN 0.086 nan 8.210 nan 0.000 0.408 501 V N 0.858 120.804 119.914 0.055 0.000 2.261 501 V HA -0.300 3.820 4.120 -0.000 0.000 0.246 501 V C 2.741 178.882 176.094 0.078 0.000 1.047 501 V CA 2.595 64.915 62.300 0.034 0.000 1.015 501 V CB -1.314 30.342 31.823 -0.278 0.000 0.642 501 V HN 0.652 nan 8.190 nan 0.000 0.446 502 T N -1.167 113.380 114.554 -0.011 0.000 2.720 502 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 502 T C 1.691 176.463 174.700 0.121 0.000 1.037 502 T CA 1.890 64.032 62.100 0.069 0.000 1.144 502 T CB -0.525 68.386 68.868 0.072 0.000 0.864 502 T HN 0.458 nan 8.240 nan 0.000 0.444 503 N N 0.330 119.109 118.700 0.131 0.000 2.300 503 N HA 0.065 4.805 4.740 -0.000 0.000 0.179 503 N C 1.552 177.171 175.510 0.182 0.000 1.016 503 N CA 0.799 53.930 53.050 0.135 0.000 0.876 503 N CB -0.376 38.181 38.487 0.117 0.000 0.979 503 N HN 0.454 nan 8.380 nan 0.000 0.432 504 F N 1.863 121.889 119.950 0.126 0.000 2.146 504 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 504 F C 2.188 178.133 175.800 0.241 0.000 1.096 504 F CA 0.675 58.766 58.000 0.151 0.000 1.275 504 F CB -0.172 38.952 39.000 0.207 0.000 1.008 504 F HN -0.092 nan 8.300 nan 0.000 0.480 505 L N 0.816 122.316 121.223 0.462 0.000 2.017 505 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 505 L C 2.475 179.485 176.870 0.233 0.000 1.073 505 L CA 2.100 57.176 54.840 0.395 0.000 0.745 505 L CB -1.403 40.779 42.059 0.205 0.000 0.894 505 L HN 0.150 nan 8.230 nan 0.000 0.432 506 A N -0.540 122.365 122.820 0.142 0.000 1.908 506 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 506 A C 2.342 179.952 177.584 0.043 0.000 1.181 506 A CA 1.677 53.764 52.037 0.082 0.000 0.627 506 A CB -1.621 17.415 19.000 0.060 0.000 0.818 506 A HN 0.542 nan 8.150 nan 0.000 0.445 507 G N -1.288 107.511 108.800 -0.001 0.000 2.433 507 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 507 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 507 G C 1.481 176.331 174.900 -0.084 0.000 1.186 507 G CA 1.122 46.173 45.100 -0.082 0.000 0.779 507 G HN 0.503 nan 8.290 nan 0.000 0.543 508 F N 1.698 121.510 119.950 -0.229 0.000 2.161 508 F HA -0.065 4.462 4.527 -0.000 0.000 0.300 508 F C 2.568 178.353 175.800 -0.025 0.000 1.089 508 F CA 1.868 59.785 58.000 -0.138 0.000 1.282 508 F CB 0.158 39.166 39.000 0.014 0.000 1.010 508 F HN 0.191 nan 8.300 nan 0.000 0.485 509 E N 0.735 121.005 120.200 0.117 0.000 2.481 509 E HA 0.087 4.437 4.350 -0.000 0.000 0.195 509 E C 1.320 177.885 176.600 -0.057 0.000 1.047 509 E CA 0.359 56.773 56.400 0.024 0.000 0.867 509 E CB -0.274 29.481 29.700 0.091 0.000 0.858 509 E HN 0.404 nan 8.360 nan 0.000 0.513 510 A N 0.000 122.777 122.820 -0.071 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 51.996 52.037 -0.068 0.000 0.836 510 A CB 0.000 18.957 19.000 -0.071 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486