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 3bga_1_B DATA FIRST_RESID 23 DATA SEQUENCE LKQPLPEWQS QYAVGLNKLA PHTYVWPYAD ASDIGKPGGY EQSPYYXSLN DATA SEQUENCE GKWKFNWVKN PDNRPKDFYQ PSYYTGGWAD INVPGNWERQ GYGTAIYVNE DATA SEQUENCE TYEFDDKXFN FKKNPPLVPF AENEVGSYRR TFKVPADWKG RRVVLCCEGV DATA SEQUENCE ISFYYVWVNG KLLGYNQGSK TAAEWDITDV LSEGENVVAL EVYRWSSGAY DATA SEQUENCE LECQDXWRLS GIERDVYLYS TPKQYIADYK VSASLDKEKY KEGIFNLEVT DATA SEQUENCE VEGPSATASS IAYTLKDASG KAVLQDAINI KSRGLSNFIA FDEKKIAEVK DATA SEQUENCE AWNAEHPNLY TLVLELKDAQ GKVTELTGCE VGFRTSEIKD GRFCINGVPV DATA SEQUENCE LVKGTNRHEH SQLGRTVSKE LXEQDIRLXK QHNINXVRNS HYPTHPYWYQ DATA SEQUENCE LCDRYGLYXI DEANIESHGX GYGPASLAKD STWLTAHXDR THRXYERSKN DATA SEQUENCE HPAIVIWSQG NEAGNGINFE RTYDWLKSVE KGRPVQYERA ELNYNTDIYc DATA SEQUENCE RXYRSVDEIK AYVGKKDIYR PFILcEYLHA XGNSCGGXKE YWEVFENEPX DATA SEQUENCE AQGGCIWDWV DQNFREIDKD GKWYWTYGGD YGPEGIPSFG NFCGNGLVNA DATA SEQUENCE VREPHPHLLE VKKIYQNIKA TLSDRKNLKV CIKNWYDFSN LNEYILRWNV DATA SEQUENCE KGEDGTVLAE GTKEVDCEPH ATVDVTLGAV KLPNTVREAY LNLSWSRKEA DATA SEQUENCE TPLVDTDWEV AYDQFVLAGN KNTTAYRPQK AGETAFVVDK NTGALSSLTL DATA SEQUENCE DGKELLAAPI TLSLFRPATD NDNRDRNGAR LWRKAGLNNL TQKVVSLKEE DATA SEQUENCE KTSATVRAEI LNGKGQKVGX ADFVYALDKN GALKVRTTFQ PDTAIVKSXA DATA SEQUENCE RLGLTFRXAD AYNQVSYLGR GDHETYIDRN QSGRIGLYDT TVERXFHYYA DATA SEQUENCE TPQSTANRTD VRWAKLTDQA GEGVFXESNR PFQFSIIPFS DVLLEKAHHI DATA SEQUENCE NELERDGXIT IHLDAEQAGV GTATCGPGVL PQYLVPVKKQ SFEFTLYPVK 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 23 L HA 0.000 nan 4.340 nan 0.000 0.249 23 L C 0.000 176.844 176.870 -0.043 0.000 1.165 23 L CA 0.000 54.811 54.840 -0.049 0.000 0.813 23 L CB 0.000 42.021 42.059 -0.064 0.000 0.961 24 K N 0.298 120.673 120.400 -0.040 0.000 2.167 24 K HA 0.090 4.438 4.320 0.047 0.000 0.203 24 K C 0.314 176.893 176.600 -0.035 0.000 1.052 24 K CA 0.886 57.154 56.287 -0.032 0.000 0.956 24 K CB 0.142 32.626 32.500 -0.025 0.000 0.735 24 K HN 0.413 nan 8.250 nan 0.000 0.451 25 Q N 0.021 119.794 119.800 -0.046 0.000 2.365 25 Q HA 0.358 4.726 4.340 0.047 0.000 0.269 25 Q C -2.540 173.417 176.000 -0.071 0.000 1.061 25 Q CA -2.147 53.626 55.803 -0.050 0.000 0.816 25 Q CB 1.709 30.420 28.738 -0.045 0.000 1.325 25 Q HN -0.117 nan 8.270 nan 0.000 0.446 26 P HA 0.098 nan 4.420 nan 0.000 0.272 26 P C -0.846 176.370 177.300 -0.139 0.000 1.223 26 P CA -0.583 62.460 63.100 -0.094 0.000 0.784 26 P CB 0.522 32.175 31.700 -0.079 0.000 0.923 27 L N 3.633 124.745 121.223 -0.185 0.000 2.464 27 L HA 0.274 4.642 4.340 0.047 0.000 0.264 27 L C -1.609 175.053 176.870 -0.346 0.000 1.199 27 L CA -1.347 53.323 54.840 -0.284 0.000 0.818 27 L CB -1.134 40.734 42.059 -0.318 0.000 1.102 27 L HN 0.410 nan 8.230 nan 0.000 0.473 28 P HA 0.063 nan 4.420 nan 0.000 0.271 28 P C 0.072 176.968 177.300 -0.673 0.000 1.233 28 P CA -0.331 62.458 63.100 -0.518 0.000 0.789 28 P CB 0.659 32.008 31.700 -0.585 0.000 0.951 29 E N 0.734 120.642 120.200 -0.488 0.000 2.147 29 E HA -0.184 4.195 4.350 0.047 0.000 0.199 29 E C 1.640 177.762 176.600 -0.796 0.000 1.005 29 E CA 1.902 57.964 56.400 -0.562 0.000 0.810 29 E CB -0.644 28.670 29.700 -0.643 0.000 0.736 29 E HN 0.647 nan 8.360 nan 0.000 0.460 30 W N -0.062 120.482 121.300 -1.259 0.000 2.848 30 W HA -0.001 4.687 4.660 0.047 0.000 0.241 30 W C 0.314 176.475 176.519 -0.597 0.000 1.289 30 W CA 0.307 56.844 57.345 -1.347 0.000 1.396 30 W CB -0.236 28.221 29.460 -1.673 0.000 1.138 30 W HN 0.045 nan 8.180 nan 0.000 0.677 31 Q N 0.855 120.273 119.800 -0.637 0.000 2.219 31 Q HA 0.094 4.463 4.340 0.047 0.000 0.209 31 Q C 0.007 175.825 176.000 -0.304 0.000 0.854 31 Q CA 0.259 55.806 55.803 -0.427 0.000 0.960 31 Q CB 1.077 29.469 28.738 -0.577 0.000 1.116 31 Q HN 0.091 nan 8.270 nan 0.000 0.500 32 S N 1.148 116.657 115.700 -0.318 0.000 2.502 32 S HA 0.152 4.650 4.470 0.047 0.000 0.304 32 S C 0.927 175.284 174.600 -0.404 0.000 1.097 32 S CA -0.518 57.492 58.200 -0.317 0.000 1.045 32 S CB 1.138 64.220 63.200 -0.197 0.000 1.019 32 S HN 0.178 nan 8.310 nan 0.000 0.481 33 Q N 3.841 123.188 119.800 -0.755 0.000 2.488 33 Q HA -0.085 4.283 4.340 0.047 0.000 0.211 33 Q C -0.008 175.548 176.000 -0.741 0.000 0.967 33 Q CA 1.267 56.481 55.803 -0.981 0.000 0.926 33 Q CB -0.405 27.082 28.738 -2.084 0.000 0.992 33 Q HN 0.886 nan 8.270 nan 0.000 0.506 34 Y N 0.961 121.083 120.300 -0.296 0.000 2.436 34 Y HA 0.359 4.938 4.550 0.047 0.000 0.288 34 Y C 1.782 177.640 175.900 -0.071 0.000 1.112 34 Y CA 0.138 58.127 58.100 -0.185 0.000 1.220 34 Y CB -0.114 38.247 38.460 -0.164 0.000 1.073 34 Y HN 0.157 nan 8.280 nan 0.000 0.552 35 A N 1.452 124.324 122.820 0.086 0.000 3.051 35 A HA 0.312 4.660 4.320 0.047 0.000 0.257 35 A C 1.569 179.315 177.584 0.271 0.000 1.785 35 A CA 0.401 52.554 52.037 0.194 0.000 1.420 35 A CB -1.395 17.612 19.000 0.012 0.000 1.063 35 A HN 0.344 nan 8.150 nan 0.000 0.630 36 V N -1.197 118.830 119.914 0.189 0.000 2.788 36 V HA 0.480 4.628 4.120 0.047 0.000 0.251 36 V C 0.879 177.047 176.094 0.123 0.000 1.068 36 V CA 0.882 63.264 62.300 0.136 0.000 1.090 36 V CB -0.789 31.057 31.823 0.039 0.000 0.710 36 V HN 0.987 nan 8.190 nan 0.000 0.467 37 G N -0.476 108.391 108.800 0.112 0.000 2.579 37 G HA2 0.569 4.557 3.960 0.047 0.000 0.292 37 G HA3 0.569 4.557 3.960 0.047 0.000 0.292 37 G C -2.346 172.383 174.900 -0.284 0.000 1.484 37 G CA -0.359 44.683 45.100 -0.096 0.000 0.813 37 G HN 0.402 nan 8.290 nan 0.000 0.515 38 L N 0.844 121.791 121.223 -0.459 0.000 2.493 38 L HA 0.617 4.985 4.340 0.047 0.000 0.265 38 L C 0.358 177.161 176.870 -0.112 0.000 0.954 38 L CA -0.399 54.192 54.840 -0.415 0.000 0.844 38 L CB 1.718 43.258 42.059 -0.866 0.000 1.302 38 L HN 0.703 nan 8.230 nan 0.000 0.405 39 N N 1.740 120.396 118.700 -0.073 0.000 2.708 39 N HA -0.205 4.564 4.740 0.047 0.000 0.251 39 N C -0.496 174.967 175.510 -0.078 0.000 1.123 39 N CA 1.072 54.136 53.050 0.023 0.000 0.739 39 N CB -0.852 37.724 38.487 0.148 0.000 1.113 39 N HN 0.673 nan 8.380 nan 0.000 0.561 40 K N 0.210 120.399 120.400 -0.352 0.000 2.090 40 K HA 0.377 4.726 4.320 0.047 0.000 0.250 40 K C 0.547 176.922 176.600 -0.376 0.000 1.004 40 K CA -0.859 54.994 56.287 -0.724 0.000 0.919 40 K CB 0.852 32.848 32.500 -0.840 0.000 1.045 40 K HN -0.128 nan 8.250 nan 0.000 0.471 41 L N 1.669 122.684 121.223 -0.346 0.000 2.439 41 L HA 0.086 4.454 4.340 0.047 0.000 0.269 41 L C 0.358 177.170 176.870 -0.097 0.000 1.179 41 L CA 0.551 55.307 54.840 -0.139 0.000 0.828 41 L CB 0.498 42.530 42.059 -0.045 0.000 1.106 41 L HN 0.738 nan 8.230 nan 0.000 0.467 42 A N 4.963 127.765 122.820 -0.029 0.000 2.483 42 A HA 0.423 4.771 4.320 0.047 0.000 0.238 42 A C -2.154 175.432 177.584 0.004 0.000 1.070 42 A CA -0.941 51.079 52.037 -0.028 0.000 0.770 42 A CB -0.785 18.207 19.000 -0.013 0.000 1.008 42 A HN 0.603 nan 8.150 nan 0.000 0.497 43 P HA 0.276 nan 4.420 nan 0.000 0.262 43 P C -0.728 176.489 177.300 -0.139 0.000 1.182 43 P CA 0.975 63.969 63.100 -0.176 0.000 0.761 43 P CB 0.259 31.878 31.700 -0.136 0.000 0.795 44 H N -1.384 117.543 119.070 -0.237 0.000 3.017 44 H HA 0.587 5.171 4.556 0.047 0.000 0.346 44 H C -0.721 174.355 175.328 -0.420 0.000 1.286 44 H CA -1.078 54.813 56.048 -0.262 0.000 1.120 44 H CB 0.462 30.110 29.762 -0.190 0.000 1.860 44 H HN 0.194 nan 8.280 nan 0.000 0.542 45 T N 0.748 115.105 114.554 -0.329 0.000 2.899 45 T HA 0.167 4.546 4.350 0.047 0.000 0.295 45 T C -0.542 173.892 174.700 -0.444 0.000 1.033 45 T CA -0.328 61.467 62.100 -0.508 0.000 1.084 45 T CB -0.110 68.390 68.868 -0.614 0.000 0.979 45 T HN 0.381 nan 8.240 nan 0.000 0.532 46 Y N 2.691 122.663 120.300 -0.548 0.000 2.717 46 Y HA 0.225 4.803 4.550 0.047 0.000 0.330 46 Y C 1.043 176.526 175.900 -0.694 0.000 1.217 46 Y CA 0.077 57.636 58.100 -0.901 0.000 1.506 46 Y CB 0.254 37.619 38.460 -1.824 0.000 1.268 46 Y HN 0.380 nan 8.280 nan 0.000 0.561 47 V N 0.983 120.646 119.914 -0.418 0.000 2.666 47 V HA 0.243 4.391 4.120 0.047 0.000 0.306 47 V C -0.680 175.350 176.094 -0.106 0.000 1.156 47 V CA -1.302 60.940 62.300 -0.096 0.000 1.274 47 V CB -0.504 31.338 31.823 0.032 0.000 1.536 47 V HN 0.631 nan 8.190 nan 0.000 0.640 48 W N 2.866 124.126 121.300 -0.066 0.000 2.264 48 W HA 0.296 4.984 4.660 0.047 0.000 0.331 48 W C -2.170 174.320 176.519 -0.048 0.000 1.364 48 W CA -1.575 55.639 57.345 -0.218 0.000 1.253 48 W CB 0.255 29.543 29.460 -0.287 0.000 1.215 48 W HN 0.285 nan 8.180 nan 0.000 0.561 49 P HA 0.197 nan 4.420 nan 0.000 0.280 49 P C -1.254 176.193 177.300 0.246 0.000 1.244 49 P CA 0.084 63.310 63.100 0.210 0.000 0.784 49 P CB 0.913 32.639 31.700 0.045 0.000 0.913 50 Y N 0.956 121.435 120.300 0.298 0.000 2.602 50 Y HA 0.544 5.123 4.550 0.047 0.000 0.330 50 Y C 1.465 177.571 175.900 0.345 0.000 1.114 50 Y CA -0.608 57.676 58.100 0.306 0.000 1.182 50 Y CB 1.675 40.264 38.460 0.214 0.000 1.305 50 Y HN 0.407 nan 8.280 nan 0.000 0.502 51 A N -0.318 122.773 122.820 0.453 0.000 2.066 51 A HA 0.133 4.482 4.320 0.047 0.000 0.198 51 A C -0.353 177.372 177.584 0.236 0.000 1.405 51 A CA 0.384 52.621 52.037 0.335 0.000 0.973 51 A CB 0.305 19.428 19.000 0.205 0.000 1.026 51 A HN 0.586 nan 8.150 nan 0.000 0.474 52 D N -0.030 120.516 120.400 0.242 0.000 2.464 52 D HA 0.597 5.265 4.640 0.047 0.000 0.243 52 D C 0.959 177.335 176.300 0.127 0.000 1.104 52 D CA 0.262 54.356 54.000 0.157 0.000 0.883 52 D CB 1.328 42.203 40.800 0.124 0.000 1.050 52 D HN 0.127 nan 8.370 nan 0.000 0.524 53 A N 2.805 125.660 122.820 0.059 0.000 2.084 53 A HA -0.192 4.156 4.320 0.047 0.000 0.221 53 A C 2.099 179.638 177.584 -0.074 0.000 1.161 53 A CA 1.812 53.820 52.037 -0.048 0.000 0.653 53 A CB -0.351 18.633 19.000 -0.027 0.000 0.802 53 A HN 0.507 nan 8.150 nan 0.000 0.457 54 S N -0.323 115.369 115.700 -0.013 0.000 2.442 54 S HA -0.161 4.338 4.470 0.047 0.000 0.236 54 S C 1.242 175.834 174.600 -0.013 0.000 1.007 54 S CA 1.512 59.705 58.200 -0.012 0.000 0.965 54 S CB -0.487 62.718 63.200 0.010 0.000 0.773 54 S HN 0.598 nan 8.310 nan 0.000 0.504 55 D N 0.780 121.187 120.400 0.011 0.000 2.355 55 D HA 0.136 4.804 4.640 0.047 0.000 0.218 55 D C 1.675 177.979 176.300 0.005 0.000 1.004 55 D CA 0.235 54.275 54.000 0.067 0.000 0.880 55 D CB -0.124 40.815 40.800 0.232 0.000 0.911 55 D HN 0.469 nan 8.370 nan 0.000 0.528 56 I N 0.971 121.397 120.570 -0.241 0.000 2.163 56 I HA -0.177 4.021 4.170 0.047 0.000 0.243 56 I C 2.285 178.376 176.117 -0.043 0.000 1.085 56 I CA 1.378 62.502 61.300 -0.295 0.000 1.347 56 I CB -0.298 37.496 38.000 -0.344 0.000 1.044 56 I HN 0.015 nan 8.210 nan 0.000 0.408 57 G N 1.198 109.973 108.800 -0.042 0.000 2.956 57 G HA2 -0.043 3.945 3.960 0.047 0.000 0.207 57 G HA3 -0.043 3.945 3.960 0.047 0.000 0.207 57 G C 0.499 175.389 174.900 -0.016 0.000 1.162 57 G CA -0.043 45.045 45.100 -0.019 0.000 0.796 57 G HN 0.271 nan 8.290 nan 0.000 0.527 58 K N 1.247 121.653 120.400 0.010 0.000 2.265 58 K HA 0.311 4.659 4.320 0.047 0.000 0.267 58 K C -2.735 173.875 176.600 0.017 0.000 0.994 58 K CA -1.930 54.358 56.287 0.003 0.000 0.860 58 K CB 2.015 34.522 32.500 0.011 0.000 1.099 58 K HN -0.117 nan 8.250 nan 0.000 0.448 59 P HA -0.092 nan 4.420 nan 0.000 0.262 59 P C 0.675 178.037 177.300 0.103 0.000 1.182 59 P CA 0.969 64.022 63.100 -0.078 0.000 0.761 59 P CB 0.515 31.992 31.700 -0.371 0.000 0.795 60 G N 3.067 111.925 108.800 0.097 0.000 2.196 60 G HA2 -0.330 3.658 3.960 0.047 0.000 0.268 60 G HA3 -0.330 3.658 3.960 0.047 0.000 0.268 60 G C 1.348 175.842 174.900 -0.677 0.000 0.975 60 G CA 0.493 45.378 45.100 -0.359 0.000 0.648 60 G HN 0.729 nan 8.290 nan 0.000 0.538 61 G N 0.647 109.287 108.800 -0.268 0.000 2.469 61 G HA2 -0.145 3.844 3.960 0.047 0.000 0.220 61 G HA3 -0.145 3.844 3.960 0.047 0.000 0.220 61 G C 1.462 176.209 174.900 -0.255 0.000 1.136 61 G CA 1.674 46.691 45.100 -0.138 0.000 0.759 61 G HN 1.241 nan 8.290 nan 0.000 0.562 62 Y N 0.489 120.595 120.300 -0.323 0.000 2.365 62 Y HA 0.001 4.580 4.550 0.047 0.000 0.287 62 Y C 2.207 177.551 175.900 -0.927 0.000 1.162 62 Y CA 1.212 58.835 58.100 -0.795 0.000 1.260 62 Y CB -0.546 37.198 38.460 -1.194 0.000 0.976 62 Y HN 0.353 nan 8.280 nan 0.000 0.548 63 E N 0.149 119.532 120.200 -1.362 0.000 2.347 63 E HA -0.147 4.231 4.350 0.047 0.000 0.196 63 E C 1.398 177.593 176.600 -0.675 0.000 1.008 63 E CA 0.805 56.317 56.400 -1.480 0.000 0.852 63 E CB -0.103 28.880 29.700 -1.195 0.000 0.783 63 E HN 0.536 nan 8.360 nan 0.000 0.505 64 Q N 0.356 119.908 119.800 -0.413 0.000 2.360 64 Q HA 0.101 4.469 4.340 0.047 0.000 0.202 64 Q C 0.276 176.232 176.000 -0.072 0.000 0.915 64 Q CA 0.010 55.707 55.803 -0.175 0.000 0.943 64 Q CB 0.810 29.479 28.738 -0.115 0.000 1.064 64 Q HN -0.043 nan 8.270 nan 0.000 0.511 65 S N 1.209 116.861 115.700 -0.080 0.000 2.565 65 S HA 0.156 4.654 4.470 0.047 0.000 0.276 65 S C -1.608 173.055 174.600 0.105 0.000 1.326 65 S CA -1.386 56.835 58.200 0.036 0.000 1.045 65 S CB 0.653 63.872 63.200 0.031 0.000 0.918 65 S HN 0.096 nan 8.310 nan 0.000 0.505 66 P HA -0.005 nan 4.420 nan 0.000 0.237 66 P C -0.110 177.275 177.300 0.141 0.000 1.178 66 P CA 0.768 63.847 63.100 -0.035 0.000 0.766 66 P CB -0.115 31.448 31.700 -0.228 0.000 0.876 67 Y N -1.851 118.698 120.300 0.416 0.000 2.571 67 Y HA 0.279 4.857 4.550 0.047 0.000 0.275 67 Y C 0.977 177.172 175.900 0.493 0.000 1.179 67 Y CA -0.683 57.645 58.100 0.379 0.000 1.242 67 Y CB -0.368 38.169 38.460 0.127 0.000 1.126 67 Y HN -0.041 nan 8.280 nan 0.000 0.524 71 L N 2.590 123.926 121.223 0.188 0.000 3.069 71 L HA 0.376 4.744 4.340 0.047 0.000 0.271 71 L C 0.256 177.376 176.870 0.416 0.000 1.201 71 L CA -0.415 54.538 54.840 0.188 0.000 1.015 71 L CB 0.097 42.235 42.059 0.132 0.000 1.371 71 L HN 0.494 nan 8.230 nan 0.000 0.574 72 N N 1.025 119.933 118.700 0.346 0.000 2.326 72 N HA 0.497 5.265 4.740 0.047 0.000 0.239 72 N C 0.745 176.468 175.510 0.355 0.000 1.301 72 N CA 1.076 54.336 53.050 0.351 0.000 0.909 72 N CB 0.875 39.493 38.487 0.218 0.000 1.156 72 N HN 0.250 nan 8.380 nan 0.000 0.462 73 G N -0.390 108.609 108.800 0.332 0.000 2.295 73 G HA2 -0.132 3.856 3.960 0.047 0.000 0.195 73 G HA3 -0.132 3.856 3.960 0.047 0.000 0.195 73 G C -1.426 173.704 174.900 0.383 0.000 1.269 73 G CA -0.691 44.576 45.100 0.277 0.000 1.170 73 G HN 0.396 nan 8.290 nan 0.000 0.511 74 K N 0.175 120.756 120.400 0.302 0.000 2.276 74 K HA 0.465 4.813 4.320 0.047 0.000 0.285 74 K C -1.161 175.685 176.600 0.411 0.000 1.062 74 K CA -0.019 56.455 56.287 0.312 0.000 0.918 74 K CB 1.052 33.657 32.500 0.175 0.000 1.055 74 K HN 0.397 nan 8.250 nan 0.000 0.477 75 W N 1.898 123.301 121.300 0.172 0.000 2.761 75 W HA 0.310 4.998 4.660 0.047 0.000 0.340 75 W C 0.243 176.916 176.519 0.257 0.000 1.072 75 W CA -0.828 56.661 57.345 0.240 0.000 1.215 75 W CB 0.869 30.545 29.460 0.359 0.000 1.420 75 W HN 0.144 nan 8.180 nan 0.000 0.519 76 K N 2.241 122.931 120.400 0.483 0.000 2.326 76 K HA 0.322 4.670 4.320 0.047 0.000 0.275 76 K C -0.941 176.034 176.600 0.625 0.000 1.018 76 K CA -0.274 56.289 56.287 0.460 0.000 0.962 76 K CB 0.388 33.074 32.500 0.311 0.000 0.953 76 K HN 0.429 nan 8.250 nan 0.000 0.475 77 F N 1.827 121.951 119.950 0.290 0.000 2.588 77 F HA 0.370 4.925 4.527 0.047 0.000 0.310 77 F C -0.747 174.768 175.800 -0.475 0.000 1.082 77 F CA -0.882 57.043 58.000 -0.125 0.000 0.929 77 F CB 1.847 40.616 39.000 -0.386 0.000 1.254 77 F HN 0.501 nan 8.300 nan 0.000 0.455 78 N N 4.369 122.036 118.700 -1.723 0.000 2.336 78 N HA 0.201 4.970 4.740 0.047 0.000 0.290 78 N C -2.348 172.111 175.510 -1.752 0.000 1.058 78 N CA -0.223 51.787 53.050 -1.733 0.000 0.865 78 N CB 1.900 39.069 38.487 -2.196 0.000 1.581 78 N HN 0.817 nan 8.380 nan 0.000 0.480 79 W N 5.066 125.513 121.300 -1.421 0.000 2.702 79 W HA 0.640 5.328 4.660 0.047 0.000 0.331 79 W C -1.129 174.974 176.519 -0.693 0.000 1.049 79 W CA -0.482 56.166 57.345 -1.161 0.000 1.230 79 W CB 0.955 29.820 29.460 -0.993 0.000 1.408 79 W HN 0.276 nan 8.180 nan 0.000 0.492 80 V N 2.529 121.634 119.914 -1.348 0.000 3.087 80 V HA 0.579 4.728 4.120 0.047 0.000 0.306 80 V C -1.264 173.929 176.094 -1.502 0.000 1.187 80 V CA -1.565 60.032 62.300 -1.173 0.000 0.999 80 V CB 1.596 33.018 31.823 -0.668 0.000 1.049 80 V HN 0.628 nan 8.190 nan 0.000 0.431 81 K N 2.997 122.758 120.400 -1.065 0.000 2.159 81 K HA 0.562 4.910 4.320 0.047 0.000 0.266 81 K C -0.268 176.080 176.600 -0.421 0.000 0.975 81 K CA -0.330 55.547 56.287 -0.684 0.000 0.865 81 K CB 0.587 32.904 32.500 -0.305 0.000 1.087 81 K HN 1.099 nan 8.250 nan 0.000 0.446 82 N N 4.038 122.520 118.700 -0.364 0.000 2.923 82 N HA -0.075 4.693 4.740 0.047 0.000 0.266 82 N C -2.555 172.757 175.510 -0.329 0.000 1.595 82 N CA -0.323 52.552 53.050 -0.291 0.000 1.455 82 N CB -0.160 38.248 38.487 -0.131 0.000 0.816 82 N HN 0.417 nan 8.380 nan 0.000 0.485 83 P HA -0.120 nan 4.420 nan 0.000 0.217 83 P C 0.743 178.026 177.300 -0.028 0.000 1.151 83 P CA 1.161 64.123 63.100 -0.229 0.000 0.849 83 P CB 0.162 31.755 31.700 -0.178 0.000 0.787 84 D N -1.351 119.085 120.400 0.060 0.000 2.265 84 D HA -0.113 4.555 4.640 0.047 0.000 0.208 84 D C 1.205 177.538 176.300 0.055 0.000 0.977 84 D CA 0.986 55.084 54.000 0.164 0.000 0.871 84 D CB -0.763 40.185 40.800 0.247 0.000 0.925 84 D HN 0.377 nan 8.370 nan 0.000 0.485 85 N N 0.009 118.685 118.700 -0.040 0.000 2.336 85 N HA -0.002 4.766 4.740 0.047 0.000 0.189 85 N C 0.505 175.934 175.510 -0.134 0.000 1.113 85 N CA -0.290 52.712 53.050 -0.081 0.000 0.858 85 N CB 0.591 39.003 38.487 -0.126 0.000 0.970 85 N HN 0.223 nan 8.380 nan 0.000 0.471 86 R N 2.106 122.515 120.500 -0.151 0.000 2.679 86 R HA 0.224 4.593 4.340 0.047 0.000 0.269 86 R C -2.523 173.720 176.300 -0.096 0.000 1.076 86 R CA -1.173 54.802 56.100 -0.208 0.000 1.160 86 R CB -0.366 29.798 30.300 -0.227 0.000 1.054 86 R HN -0.150 nan 8.270 nan 0.000 0.507 87 P HA 0.147 nan 4.420 nan 0.000 0.266 87 P C -0.686 176.632 177.300 0.030 0.000 1.586 87 P CA -0.371 62.734 63.100 0.008 0.000 1.088 87 P CB 0.998 32.761 31.700 0.105 0.000 1.584 88 K N 1.368 121.816 120.400 0.079 0.000 2.044 88 K HA -0.159 4.189 4.320 0.047 0.000 0.210 88 K C 0.715 177.358 176.600 0.072 0.000 1.049 88 K CA 1.650 58.026 56.287 0.148 0.000 0.927 88 K CB -0.159 32.430 32.500 0.148 0.000 0.713 88 K HN 0.373 nan 8.250 nan 0.000 0.443 89 D N 0.433 120.733 120.400 -0.167 0.000 2.328 89 D HA -0.035 4.634 4.640 0.047 0.000 0.226 89 D C 1.323 177.022 176.300 -1.001 0.000 1.066 89 D CA 0.049 53.712 54.000 -0.562 0.000 0.861 89 D CB -0.289 40.368 40.800 -0.238 0.000 0.912 89 D HN 0.275 nan 8.370 nan 0.000 0.521 90 F N 1.208 120.451 119.950 -1.180 0.000 2.225 90 F HA -0.334 4.221 4.527 0.047 0.000 0.302 90 F C 2.028 177.401 175.800 -0.710 0.000 1.068 90 F CA 0.901 58.135 58.000 -1.277 0.000 1.327 90 F CB -1.066 37.565 39.000 -0.615 0.000 1.043 90 F HN 0.081 nan 8.300 nan 0.000 0.506 91 Y N 0.705 120.002 120.300 -1.672 0.000 2.497 91 Y HA 0.171 4.749 4.550 0.047 0.000 0.292 91 Y C 0.740 176.192 175.900 -0.747 0.000 1.137 91 Y CA -0.340 56.849 58.100 -1.517 0.000 1.285 91 Y CB -1.586 35.509 38.460 -2.275 0.000 0.991 91 Y HN 0.210 nan 8.280 nan 0.000 0.556 92 Q N 2.616 121.785 119.800 -1.050 0.000 2.297 92 Q HA 0.077 4.445 4.340 0.047 0.000 0.267 92 Q C -1.813 174.026 176.000 -0.268 0.000 1.006 92 Q CA -1.661 53.822 55.803 -0.535 0.000 0.896 92 Q CB 0.979 29.414 28.738 -0.506 0.000 1.186 92 Q HN 0.153 nan 8.270 nan 0.000 0.392 93 P HA -0.250 nan 4.420 nan 0.000 0.217 93 P C 1.120 178.370 177.300 -0.084 0.000 1.148 93 P CA 1.580 64.612 63.100 -0.113 0.000 0.828 93 P CB 0.197 31.843 31.700 -0.090 0.000 0.783 94 S N -3.149 112.504 115.700 -0.078 0.000 2.481 94 S HA -0.129 4.369 4.470 0.047 0.000 0.231 94 S C 0.708 175.283 174.600 -0.043 0.000 0.996 94 S CA -0.114 58.051 58.200 -0.060 0.000 0.942 94 S CB -1.377 61.785 63.200 -0.063 0.000 0.768 94 S HN 0.104 nan 8.310 nan 0.000 0.520 95 Y N 2.313 122.509 120.300 -0.174 0.000 2.511 95 Y HA 0.245 4.824 4.550 0.047 0.000 0.332 95 Y C 0.016 175.836 175.900 -0.133 0.000 1.177 95 Y CA -0.961 57.041 58.100 -0.163 0.000 1.422 95 Y CB 0.159 38.469 38.460 -0.250 0.000 1.271 95 Y HN 0.274 nan 8.280 nan 0.000 0.550 96 Y N 5.967 125.888 120.300 -0.632 0.000 2.404 96 Y HA 0.199 4.777 4.550 0.047 0.000 0.344 96 Y C 0.859 176.471 175.900 -0.481 0.000 0.995 96 Y CA -0.295 57.538 58.100 -0.444 0.000 1.201 96 Y CB 0.797 39.030 38.460 -0.379 0.000 1.151 96 Y HN 0.742 nan 8.280 nan 0.000 0.517 97 T N 0.202 114.197 114.554 -0.932 0.000 3.085 97 T HA 0.177 4.555 4.350 0.047 0.000 0.264 97 T C 1.768 175.909 174.700 -0.931 0.000 1.019 97 T CA 0.256 61.652 62.100 -1.173 0.000 0.910 97 T CB 0.087 68.331 68.868 -1.041 0.000 1.059 97 T HN 0.734 nan 8.240 nan 0.000 0.542 98 G N 1.726 109.684 108.800 -1.404 0.000 2.485 98 G HA2 0.005 3.994 3.960 0.047 0.000 0.221 98 G HA3 0.005 3.994 3.960 0.047 0.000 0.221 98 G C 1.405 176.115 174.900 -0.316 0.000 1.115 98 G CA 0.519 45.163 45.100 -0.761 0.000 0.751 98 G HN 0.637 nan 8.290 nan 0.000 0.567 99 G N -1.192 107.433 108.800 -0.291 0.000 2.985 99 G HA2 0.210 4.199 3.960 0.047 0.000 0.209 99 G HA3 0.210 4.199 3.960 0.047 0.000 0.209 99 G C 0.177 175.232 174.900 0.259 0.000 1.165 99 G CA -0.622 44.533 45.100 0.093 0.000 0.776 99 G HN 0.201 nan 8.290 nan 0.000 0.541 100 W N 0.222 121.466 121.300 -0.093 0.000 2.283 100 W HA 0.732 5.420 4.660 0.047 0.000 0.341 100 W C 0.554 177.079 176.519 0.010 0.000 1.206 100 W CA -1.550 55.775 57.345 -0.035 0.000 1.294 100 W CB 0.728 30.165 29.460 -0.040 0.000 1.154 100 W HN 0.099 nan 8.180 nan 0.000 0.613 101 A N 1.253 124.227 122.820 0.257 0.000 2.257 101 A HA 0.521 4.869 4.320 0.047 0.000 0.290 101 A C -0.449 177.287 177.584 0.254 0.000 1.201 101 A CA -0.356 51.807 52.037 0.211 0.000 0.863 101 A CB 0.201 19.323 19.000 0.203 0.000 1.256 101 A HN 0.524 nan 8.150 nan 0.000 0.506 102 D N -0.724 119.802 120.400 0.210 0.000 2.340 102 D HA 0.613 5.282 4.640 0.047 0.000 0.240 102 D C -0.957 175.446 176.300 0.171 0.000 1.001 102 D CA 0.100 54.228 54.000 0.215 0.000 0.888 102 D CB 2.149 43.050 40.800 0.167 0.000 1.310 102 D HN 0.457 nan 8.370 nan 0.000 0.474 103 I N 0.304 120.962 120.570 0.146 0.000 2.865 103 I HA 0.280 4.478 4.170 0.047 0.000 0.302 103 I C -1.047 175.115 176.117 0.075 0.000 1.140 103 I CA -0.788 60.506 61.300 -0.010 0.000 1.021 103 I CB 2.059 39.798 38.000 -0.436 0.000 1.233 103 I HN 0.168 nan 8.210 nan 0.000 0.427 104 N N 4.257 122.971 118.700 0.025 0.000 2.514 104 N HA 0.444 5.213 4.740 0.047 0.000 0.277 104 N C -1.344 174.176 175.510 0.017 0.000 1.126 104 N CA -0.445 52.639 53.050 0.057 0.000 0.978 104 N CB 1.799 40.300 38.487 0.023 0.000 1.106 104 N HN 0.165 nan 8.380 nan 0.000 0.461 105 V N 3.828 123.757 119.914 0.025 0.000 2.487 105 V HA 0.466 4.615 4.120 0.047 0.000 0.298 105 V C -1.940 174.146 176.094 -0.013 0.000 1.028 105 V CA -1.490 60.734 62.300 -0.127 0.000 0.860 105 V CB 1.863 33.366 31.823 -0.534 0.000 0.991 105 V HN 0.657 nan 8.190 nan 0.000 0.427 106 P HA 0.636 nan 4.420 nan 0.000 0.279 106 P C -0.216 177.048 177.300 -0.059 0.000 1.276 106 P CA -0.307 62.745 63.100 -0.081 0.000 0.801 106 P CB 1.842 33.524 31.700 -0.030 0.000 1.127 107 G N -0.182 108.576 108.800 -0.069 0.000 2.380 107 G HA2 -0.009 3.979 3.960 0.047 0.000 0.250 107 G HA3 -0.009 3.979 3.960 0.047 0.000 0.250 107 G C -1.194 173.667 174.900 -0.064 0.000 1.578 107 G CA -0.957 44.106 45.100 -0.062 0.000 0.974 107 G HN 0.502 nan 8.290 nan 0.000 0.680 108 N N 0.758 119.404 118.700 -0.090 0.000 2.356 108 N HA 0.197 4.965 4.740 0.047 0.000 0.252 108 N C 1.415 176.880 175.510 -0.075 0.000 1.241 108 N CA 0.873 53.841 53.050 -0.136 0.000 0.861 108 N CB 0.491 38.876 38.487 -0.170 0.000 1.075 108 N HN 0.804 nan 8.380 nan 0.000 0.461 109 W N 1.980 123.214 121.300 -0.111 0.000 2.465 109 W HA 0.021 4.710 4.660 0.047 0.000 0.268 109 W C 0.882 177.321 176.519 -0.134 0.000 1.242 109 W CA 0.441 57.682 57.345 -0.173 0.000 1.248 109 W CB -0.490 28.836 29.460 -0.223 0.000 1.118 109 W HN 0.516 nan 8.180 nan 0.000 0.587 110 E N 0.589 120.837 120.200 0.080 0.000 2.268 110 E HA -0.111 4.267 4.350 0.047 0.000 0.195 110 E C 1.817 178.254 176.600 -0.271 0.000 0.995 110 E CA 1.064 57.431 56.400 -0.055 0.000 0.836 110 E CB -0.217 29.379 29.700 -0.173 0.000 0.763 110 E HN 0.060 nan 8.360 nan 0.000 0.491 111 R N 0.252 120.581 120.500 -0.285 0.000 2.388 111 R HA 0.173 4.541 4.340 0.047 0.000 0.247 111 R C 0.233 176.399 176.300 -0.224 0.000 0.931 111 R CA 0.214 56.093 56.100 -0.369 0.000 1.082 111 R CB 0.312 30.373 30.300 -0.398 0.000 1.135 111 R HN 0.288 nan 8.270 nan 0.000 0.525 112 Q N -0.740 118.978 119.800 -0.138 0.000 2.106 112 Q HA 0.223 4.592 4.340 0.047 0.000 0.273 112 Q C 0.103 176.007 176.000 -0.159 0.000 0.853 112 Q CA 0.102 55.848 55.803 -0.095 0.000 1.118 112 Q CB 1.445 30.167 28.738 -0.027 0.000 1.240 112 Q HN 0.350 nan 8.270 nan 0.000 0.445 113 G N 0.692 109.338 108.800 -0.256 0.000 2.143 113 G HA2 -0.302 3.686 3.960 0.047 0.000 0.248 113 G HA3 -0.302 3.686 3.960 0.047 0.000 0.248 113 G C -0.505 173.995 174.900 -0.666 0.000 0.991 113 G CA 0.084 44.925 45.100 -0.432 0.000 0.689 113 G HN 0.356 nan 8.290 nan 0.000 0.522 114 Y N -0.330 119.782 120.300 -0.314 0.000 2.446 114 Y HA 0.557 5.135 4.550 0.047 0.000 0.345 114 Y C 1.200 176.810 175.900 -0.484 0.000 0.984 114 Y CA 0.223 57.969 58.100 -0.590 0.000 1.058 114 Y CB 1.830 39.862 38.460 -0.714 0.000 1.220 114 Y HN 1.039 nan 8.280 nan 0.000 0.455 115 G N 1.377 109.736 108.800 -0.735 0.000 2.566 115 G HA2 -0.172 3.816 3.960 0.047 0.000 0.280 115 G HA3 -0.172 3.816 3.960 0.047 0.000 0.280 115 G C -0.707 174.210 174.900 0.028 0.000 1.225 115 G CA 0.022 45.019 45.100 -0.171 0.000 0.966 115 G HN 0.750 nan 8.290 nan 0.000 0.560 116 T N 0.472 115.142 114.554 0.193 0.000 3.109 116 T HA 0.702 5.080 4.350 0.047 0.000 0.311 116 T C 0.191 175.027 174.700 0.227 0.000 1.011 116 T CA 0.522 62.742 62.100 0.201 0.000 1.026 116 T CB 1.538 70.590 68.868 0.307 0.000 1.047 116 T HN 1.884 nan 8.240 nan 0.000 0.448 117 A N 4.008 126.901 122.820 0.121 0.000 2.450 117 A HA 0.724 5.072 4.320 0.047 0.000 0.255 117 A C -0.124 177.857 177.584 0.662 0.000 1.096 117 A CA -0.194 51.978 52.037 0.225 0.000 0.778 117 A CB -0.210 18.633 19.000 -0.262 0.000 1.031 117 A HN 0.851 nan 8.150 nan 0.000 0.494 118 I N 1.870 122.878 120.570 0.730 0.000 2.545 118 I HA 0.289 4.487 4.170 0.047 0.000 0.292 118 I C -1.210 175.175 176.117 0.447 0.000 1.040 118 I CA -0.541 61.128 61.300 0.615 0.000 1.068 118 I CB 2.075 40.351 38.000 0.461 0.000 1.251 118 I HN 0.732 nan 8.210 nan 0.000 0.424 119 Y N 7.686 127.959 120.300 -0.045 0.000 2.326 119 Y HA 0.695 5.273 4.550 0.047 0.000 0.331 119 Y C -1.041 174.797 175.900 -0.104 0.000 0.962 119 Y CA -0.949 56.914 58.100 -0.394 0.000 1.167 119 Y CB 1.137 38.892 38.460 -1.176 0.000 1.148 119 Y HN 0.291 nan 8.280 nan 0.000 0.463 120 V N 3.352 122.802 119.914 -0.773 0.000 3.102 120 V HA 0.623 4.772 4.120 0.047 0.000 0.312 120 V C -0.479 175.158 176.094 -0.762 0.000 1.135 120 V CA -0.775 61.101 62.300 -0.707 0.000 1.022 120 V CB 1.915 33.541 31.823 -0.327 0.000 1.056 120 V HN 0.730 nan 8.190 nan 0.000 0.436 121 N N 1.213 119.463 118.700 -0.750 0.000 2.476 121 N HA 0.113 4.881 4.740 0.047 0.000 0.234 121 N C 1.096 176.245 175.510 -0.602 0.000 1.035 121 N CA 1.292 53.953 53.050 -0.648 0.000 1.194 121 N CB 0.185 38.048 38.487 -1.040 0.000 1.542 121 N HN 0.825 nan 8.380 nan 0.000 0.628 122 E N 0.007 119.702 120.200 -0.841 0.000 2.445 122 E HA 0.093 4.471 4.350 0.047 0.000 0.189 122 E C -0.131 176.023 176.600 -0.744 0.000 1.069 122 E CA 0.078 55.909 56.400 -0.949 0.000 0.871 122 E CB 0.091 29.031 29.700 -1.267 0.000 0.991 122 E HN 0.525 nan 8.360 nan 0.000 0.481 123 T N -2.485 111.691 114.554 -0.630 0.000 2.926 123 T HA 0.404 4.782 4.350 0.047 0.000 0.289 123 T C -0.559 173.771 174.700 -0.617 0.000 1.054 123 T CA -0.828 60.931 62.100 -0.567 0.000 1.015 123 T CB 0.850 69.488 68.868 -0.383 0.000 1.167 123 T HN -0.044 nan 8.240 nan 0.000 0.526 124 Y N 1.675 121.704 120.300 -0.451 0.000 2.327 124 Y HA 0.256 4.834 4.550 0.047 0.000 0.336 124 Y C 2.049 177.546 175.900 -0.671 0.000 1.035 124 Y CA -0.815 56.832 58.100 -0.755 0.000 1.165 124 Y CB 1.268 38.891 38.460 -1.396 0.000 1.181 124 Y HN 0.826 nan 8.280 nan 0.000 0.494 125 E N 3.376 123.393 120.200 -0.306 0.000 2.204 125 E HA -0.230 4.149 4.350 0.047 0.000 0.195 125 E C 1.195 177.743 176.600 -0.087 0.000 0.990 125 E CA 1.481 57.847 56.400 -0.057 0.000 0.821 125 E CB -0.551 29.258 29.700 0.182 0.000 0.750 125 E HN 0.794 nan 8.360 nan 0.000 0.477 126 F N 1.688 121.424 119.950 -0.357 0.000 2.748 126 F HA 0.212 4.768 4.527 0.047 0.000 0.299 126 F C 0.694 176.469 175.800 -0.042 0.000 1.154 126 F CA -0.021 57.558 58.000 -0.701 0.000 1.446 126 F CB -0.452 37.552 39.000 -1.661 0.000 1.112 126 F HN -0.191 nan 8.300 nan 0.000 0.584 127 D N 1.332 121.653 120.400 -0.131 0.000 2.619 127 D HA 0.191 4.859 4.640 0.047 0.000 0.224 127 D C -1.337 175.024 176.300 0.102 0.000 1.133 127 D CA 0.067 54.102 54.000 0.058 0.000 1.017 127 D CB -0.434 40.319 40.800 -0.077 0.000 1.077 127 D HN 0.434 nan 8.370 nan 0.000 0.503 128 D N 0.320 120.863 120.400 0.239 0.000 2.654 128 D HA 0.176 4.844 4.640 0.047 0.000 0.231 128 D C -0.484 175.926 176.300 0.185 0.000 1.239 128 D CA -0.881 53.236 54.000 0.196 0.000 0.790 128 D CB 1.206 42.157 40.800 0.251 0.000 1.480 128 D HN 0.164 nan 8.370 nan 0.000 0.442 132 N N 1.161 120.036 118.700 0.292 0.000 2.727 132 N HA -0.248 4.520 4.740 0.047 0.000 0.249 132 N C -0.805 174.930 175.510 0.374 0.000 1.048 132 N CA 1.229 54.437 53.050 0.262 0.000 0.714 132 N CB -1.365 37.261 38.487 0.231 0.000 0.959 132 N HN 0.431 nan 8.380 nan 0.000 0.544 133 F N 0.296 120.354 119.950 0.180 0.000 2.613 133 F HA 0.521 5.076 4.527 0.047 0.000 0.310 133 F C -0.893 174.992 175.800 0.141 0.000 1.085 133 F CA -0.773 57.324 58.000 0.161 0.000 0.945 133 F CB 1.546 40.651 39.000 0.176 0.000 1.298 133 F HN -0.173 nan 8.300 nan 0.000 0.455 134 K N 3.873 123.856 120.400 -0.694 0.000 2.378 134 K HA 0.340 4.688 4.320 0.047 0.000 0.252 134 K C -1.200 175.018 176.600 -0.638 0.000 0.931 134 K CA -1.213 54.815 56.287 -0.431 0.000 0.794 134 K CB 2.139 34.476 32.500 -0.272 0.000 1.181 134 K HN 0.607 nan 8.250 nan 0.000 0.425 135 K N 1.566 121.876 120.400 -0.150 0.000 2.561 135 K HA -0.078 4.270 4.320 0.047 0.000 0.280 135 K C -0.305 176.302 176.600 0.012 0.000 0.975 135 K CA 0.283 56.631 56.287 0.103 0.000 1.024 135 K CB 0.129 32.746 32.500 0.195 0.000 0.883 135 K HN 0.560 nan 8.250 nan 0.000 0.496 136 N N 2.672 121.477 118.700 0.176 0.000 3.211 136 N HA 0.197 4.965 4.740 0.047 0.000 0.183 136 N C -3.028 172.487 175.510 0.008 0.000 1.447 136 N CA -1.243 51.832 53.050 0.041 0.000 0.840 136 N CB 0.831 39.297 38.487 -0.034 0.000 1.611 136 N HN 0.337 nan 8.380 nan 0.000 0.610 137 P HA 0.027 nan 4.420 nan 0.000 0.263 137 P C -2.042 175.190 177.300 -0.113 0.000 1.168 137 P CA -0.468 62.248 63.100 -0.640 0.000 0.759 137 P CB 0.458 31.798 31.700 -0.601 0.000 0.782 138 P HA 0.113 nan 4.420 nan 0.000 0.268 138 P C -0.147 177.222 177.300 0.114 0.000 1.329 138 P CA 0.225 63.312 63.100 -0.022 0.000 0.899 138 P CB 0.524 32.132 31.700 -0.153 0.000 1.378 139 L N 1.070 122.380 121.223 0.145 0.000 2.439 139 L HA 0.252 4.620 4.340 0.047 0.000 0.269 139 L C 0.865 177.893 176.870 0.264 0.000 1.179 139 L CA -0.411 54.553 54.840 0.207 0.000 0.828 139 L CB 0.854 43.074 42.059 0.268 0.000 1.106 139 L HN -0.139 nan 8.230 nan 0.000 0.467 140 V N 0.368 120.194 119.914 -0.147 0.000 3.102 140 V HA 0.642 4.790 4.120 0.047 0.000 0.312 140 V C -2.656 172.899 176.094 -0.898 0.000 1.135 140 V CA -2.742 59.107 62.300 -0.753 0.000 1.022 140 V CB 1.524 32.981 31.823 -0.610 0.000 1.056 140 V HN 0.491 nan 8.190 nan 0.000 0.436 141 P HA 0.164 nan 4.420 nan 0.000 0.268 141 P C -0.410 176.914 177.300 0.040 0.000 1.208 141 P CA 0.313 63.056 63.100 -0.595 0.000 0.777 141 P CB 0.360 31.863 31.700 -0.329 0.000 0.875 142 F N 2.603 122.598 119.950 0.075 0.000 2.389 142 F HA 0.249 4.804 4.527 0.047 0.000 0.275 142 F C 2.158 178.086 175.800 0.213 0.000 1.009 142 F CA 1.105 59.261 58.000 0.260 0.000 1.187 142 F CB -0.839 38.279 39.000 0.198 0.000 1.139 142 F HN 0.277 nan 8.300 nan 0.000 0.613 143 A N -0.006 122.989 122.820 0.292 0.000 2.070 143 A HA -0.132 4.216 4.320 0.047 0.000 0.220 143 A C 1.612 179.252 177.584 0.093 0.000 1.159 143 A CA 1.945 54.083 52.037 0.168 0.000 0.656 143 A CB -0.705 18.462 19.000 0.279 0.000 0.800 143 A HN 0.543 nan 8.150 nan 0.000 0.453 144 E N -0.039 120.274 120.200 0.188 0.000 2.472 144 E HA 0.070 4.448 4.350 0.047 0.000 0.196 144 E C 0.499 177.244 176.600 0.242 0.000 1.033 144 E CA -0.311 56.270 56.400 0.302 0.000 0.886 144 E CB -0.071 29.959 29.700 0.550 0.000 0.944 144 E HN 0.483 nan 8.360 nan 0.000 0.492 145 N N 1.821 120.574 118.700 0.088 0.000 2.453 145 N HA -0.004 4.764 4.740 0.047 0.000 0.253 145 N C -0.486 174.802 175.510 -0.369 0.000 1.252 145 N CA 0.306 53.288 53.050 -0.114 0.000 0.917 145 N CB 0.561 38.936 38.487 -0.187 0.000 1.117 145 N HN -0.006 nan 8.380 nan 0.000 0.442 146 E N 0.199 120.108 120.200 -0.485 0.000 2.191 146 E HA 0.459 4.837 4.350 0.047 0.000 0.274 146 E C -0.939 175.325 176.600 -0.560 0.000 0.948 146 E CA -0.867 55.214 56.400 -0.532 0.000 0.802 146 E CB 1.888 31.468 29.700 -0.200 0.000 1.137 146 E HN 0.165 nan 8.360 nan 0.000 0.397 147 V N 1.924 121.342 119.914 -0.826 0.000 2.407 147 V HA 0.483 4.631 4.120 0.047 0.000 0.291 147 V C 0.102 175.658 176.094 -0.898 0.000 1.018 147 V CA -0.746 61.052 62.300 -0.836 0.000 0.842 147 V CB 1.739 33.047 31.823 -0.858 0.000 0.996 147 V HN 0.785 nan 8.190 nan 0.000 0.426 148 G N 2.596 111.024 108.800 -0.620 0.000 2.377 148 G HA2 0.472 4.460 3.960 0.047 0.000 0.316 148 G HA3 0.472 4.460 3.960 0.047 0.000 0.316 148 G C -0.155 174.467 174.900 -0.463 0.000 1.115 148 G CA -0.267 44.366 45.100 -0.778 0.000 0.952 148 G HN 0.612 nan 8.290 nan 0.000 0.441 149 S N 1.910 117.069 115.700 -0.902 0.000 2.399 149 S HA 0.365 4.863 4.470 0.047 0.000 0.301 149 S C -0.795 173.671 174.600 -0.224 0.000 1.093 149 S CA -0.256 57.515 58.200 -0.714 0.000 1.077 149 S CB 0.224 62.651 63.200 -1.289 0.000 0.980 149 S HN 0.522 nan 8.310 nan 0.000 0.494 150 Y N 2.134 122.617 120.300 0.305 0.000 2.360 150 Y HA 0.650 5.228 4.550 0.047 0.000 0.337 150 Y C 0.635 177.067 175.900 0.887 0.000 1.039 150 Y CA -0.781 57.692 58.100 0.622 0.000 1.109 150 Y CB 1.263 39.993 38.460 0.449 0.000 1.201 150 Y HN 0.469 nan 8.280 nan 0.000 0.458 151 R N 2.895 123.995 120.500 1.000 0.000 2.561 151 R HA 0.550 4.918 4.340 0.047 0.000 0.266 151 R C -1.670 174.804 176.300 0.289 0.000 1.091 151 R CA -0.900 55.580 56.100 0.634 0.000 0.927 151 R CB 1.845 32.410 30.300 0.442 0.000 1.240 151 R HN 0.972 nan 8.270 nan 0.000 0.449 152 R N 0.661 121.108 120.500 -0.089 0.000 2.764 152 R HA 0.526 4.894 4.340 0.047 0.000 0.270 152 R C -1.387 174.815 176.300 -0.163 0.000 1.014 152 R CA -0.851 55.063 56.100 -0.309 0.000 0.904 152 R CB 1.980 31.711 30.300 -0.947 0.000 1.236 152 R HN 0.331 nan 8.270 nan 0.000 0.466 153 T N 1.542 116.028 114.554 -0.113 0.000 2.943 153 T HA 0.725 5.103 4.350 0.047 0.000 0.284 153 T C -1.097 173.636 174.700 0.055 0.000 1.015 153 T CA -0.281 61.780 62.100 -0.065 0.000 1.042 153 T CB 0.564 69.375 68.868 -0.096 0.000 1.055 153 T HN 0.485 nan 8.240 nan 0.000 0.500 154 F N -0.789 119.086 119.950 -0.124 0.000 2.719 154 F HA 0.700 5.255 4.527 0.047 0.000 0.309 154 F C -1.499 174.254 175.800 -0.079 0.000 1.138 154 F CA -1.382 56.554 58.000 -0.106 0.000 0.943 154 F CB 1.223 40.157 39.000 -0.110 0.000 1.304 154 F HN 0.259 nan 8.300 nan 0.000 0.445 155 K N 1.918 122.359 120.400 0.068 0.000 2.259 155 K HA 0.740 5.088 4.320 0.047 0.000 0.249 155 K C -1.387 175.243 176.600 0.050 0.000 0.942 155 K CA -1.265 55.001 56.287 -0.035 0.000 0.816 155 K CB 2.865 35.331 32.500 -0.056 0.000 1.155 155 K HN 0.543 nan 8.250 nan 0.000 0.428 156 V N 3.260 123.176 119.914 0.003 0.000 2.465 156 V HA 0.194 4.343 4.120 0.047 0.000 0.279 156 V C -2.130 173.853 176.094 -0.185 0.000 1.045 156 V CA -1.893 60.387 62.300 -0.033 0.000 0.938 156 V CB 0.738 32.632 31.823 0.118 0.000 0.986 156 V HN 0.666 nan 8.190 nan 0.000 0.467 157 P HA 0.121 nan 4.420 nan 0.000 0.264 157 P C 0.741 177.934 177.300 -0.178 0.000 1.193 157 P CA 0.131 62.952 63.100 -0.465 0.000 0.763 157 P CB 0.789 31.901 31.700 -0.980 0.000 0.810 158 A N 3.566 126.344 122.820 -0.071 0.000 1.948 158 A HA -0.220 4.129 4.320 0.047 0.000 0.220 158 A C 1.598 179.245 177.584 0.105 0.000 1.177 158 A CA 1.730 53.780 52.037 0.023 0.000 0.636 158 A CB -0.891 18.118 19.000 0.014 0.000 0.815 158 A HN 0.512 nan 8.150 nan 0.000 0.449 159 D N -1.901 118.575 120.400 0.126 0.000 2.378 159 D HA -0.083 4.585 4.640 0.047 0.000 0.227 159 D C 0.565 177.151 176.300 0.476 0.000 1.012 159 D CA 0.432 54.582 54.000 0.251 0.000 0.905 159 D CB -0.166 40.772 40.800 0.229 0.000 0.895 159 D HN 0.734 nan 8.370 nan 0.000 0.532 160 W N 1.324 122.697 121.300 0.121 0.000 3.278 160 W HA 0.189 4.877 4.660 0.047 0.000 0.308 160 W C 0.890 177.473 176.519 0.105 0.000 1.253 160 W CA -0.984 56.446 57.345 0.141 0.000 1.759 160 W CB -0.365 29.180 29.460 0.141 0.000 1.093 160 W HN -0.221 nan 8.180 nan 0.000 0.648 161 K N 0.543 121.115 120.400 0.287 0.000 2.472 161 K HA 0.286 4.634 4.320 0.047 0.000 0.280 161 K C 1.405 178.094 176.600 0.148 0.000 1.028 161 K CA 1.485 57.881 56.287 0.183 0.000 1.045 161 K CB 0.131 32.710 32.500 0.132 0.000 0.902 161 K HN 0.208 nan 8.250 nan 0.000 0.478 162 G N 3.529 112.399 108.800 0.117 0.000 2.225 162 G HA2 -0.299 3.689 3.960 0.047 0.000 0.254 162 G HA3 -0.299 3.689 3.960 0.047 0.000 0.254 162 G C 0.035 174.975 174.900 0.066 0.000 0.988 162 G CA 0.241 45.392 45.100 0.084 0.000 0.625 162 G HN 0.638 nan 8.290 nan 0.000 0.527 163 R N 0.130 120.672 120.500 0.070 0.000 2.543 163 R HA 0.611 4.979 4.340 0.047 0.000 0.268 163 R C 0.739 177.019 176.300 -0.033 0.000 1.067 163 R CA -0.635 55.465 56.100 -0.000 0.000 1.142 163 R CB 0.712 30.977 30.300 -0.058 0.000 1.110 163 R HN 0.308 nan 8.270 nan 0.000 0.549 164 R N 1.025 121.466 120.500 -0.098 0.000 2.340 164 R HA 0.238 4.607 4.340 0.047 0.000 0.300 164 R C -1.106 175.061 176.300 -0.222 0.000 1.069 164 R CA -0.240 55.775 56.100 -0.141 0.000 0.984 164 R CB 0.712 30.891 30.300 -0.202 0.000 1.003 164 R HN 0.318 nan 8.270 nan 0.000 0.459 165 V N 5.097 124.909 119.914 -0.170 0.000 2.604 165 V HA 0.438 4.587 4.120 0.047 0.000 0.305 165 V C -0.586 175.368 176.094 -0.233 0.000 1.043 165 V CA -0.815 61.371 62.300 -0.190 0.000 0.888 165 V CB 1.950 33.801 31.823 0.046 0.000 0.995 165 V HN 0.554 nan 8.190 nan 0.000 0.429 166 V N 4.995 124.664 119.914 -0.409 0.000 2.604 166 V HA 0.485 4.633 4.120 0.047 0.000 0.305 166 V C -0.576 175.374 176.094 -0.241 0.000 1.043 166 V CA -0.698 61.343 62.300 -0.433 0.000 0.888 166 V CB 1.933 33.202 31.823 -0.924 0.000 0.995 166 V HN 0.707 nan 8.190 nan 0.000 0.429 167 L N 5.295 126.496 121.223 -0.037 0.000 2.265 167 L HA 0.657 5.025 4.340 0.047 0.000 0.288 167 L C -0.416 176.504 176.870 0.083 0.000 1.058 167 L CA 0.238 55.111 54.840 0.055 0.000 0.809 167 L CB 0.878 43.026 42.059 0.148 0.000 1.179 167 L HN 0.851 nan 8.230 nan 0.000 0.429 168 C N 5.982 125.252 119.300 -0.050 0.000 2.340 168 C HA 0.656 5.144 4.460 0.047 0.000 0.323 168 C C -0.387 174.497 174.990 -0.176 0.000 1.260 168 C CA -0.701 58.235 59.018 -0.137 0.000 1.464 168 C CB -0.388 27.138 27.740 -0.357 0.000 2.156 168 C HN 0.941 nan 8.230 nan 0.000 0.476 169 C N 6.785 126.101 119.300 0.027 0.000 2.264 169 C HA 0.365 4.853 4.460 0.047 0.000 0.322 169 C C 1.464 176.495 174.990 0.069 0.000 1.210 169 C CA -0.490 58.551 59.018 0.038 0.000 1.539 169 C CB 0.415 28.214 27.740 0.099 0.000 2.167 169 C HN 0.912 nan 8.230 nan 0.000 0.463 170 E N 1.515 121.764 120.200 0.082 0.000 2.153 170 E HA -0.002 4.377 4.350 0.047 0.000 0.194 170 E C 1.079 177.762 176.600 0.138 0.000 0.988 170 E CA 0.854 57.348 56.400 0.157 0.000 0.811 170 E CB 0.244 30.072 29.700 0.214 0.000 0.746 170 E HN 0.946 nan 8.360 nan 0.000 0.466 171 G N -0.263 108.590 108.800 0.088 0.000 2.524 171 G HA2 0.391 4.379 3.960 0.047 0.000 0.306 171 G HA3 0.391 4.379 3.960 0.047 0.000 0.306 171 G C -1.361 173.533 174.900 -0.010 0.000 1.420 171 G CA -0.590 44.554 45.100 0.074 0.000 1.086 171 G HN -0.038 nan 8.290 nan 0.000 0.591 172 V N 3.385 123.305 119.914 0.010 0.000 2.760 172 V HA 0.599 4.748 4.120 0.047 0.000 0.309 172 V C -0.130 176.003 176.094 0.066 0.000 1.077 172 V CA -0.860 61.397 62.300 -0.071 0.000 0.910 172 V CB 1.983 33.610 31.823 -0.327 0.000 1.008 172 V HN 0.878 nan 8.190 nan 0.000 0.424 173 I N 3.046 123.624 120.570 0.013 0.000 2.385 173 I HA 0.610 4.808 4.170 0.047 0.000 0.294 173 I C 1.019 177.191 176.117 0.091 0.000 0.988 173 I CA 1.000 62.331 61.300 0.052 0.000 1.265 173 I CB 1.465 39.464 38.000 -0.002 0.000 1.388 173 I HN 0.910 nan 8.210 nan 0.000 0.480 174 S N 4.326 120.124 115.700 0.162 0.000 4.158 174 S HA -0.303 4.195 4.470 0.047 0.000 0.603 174 S C -0.342 174.452 174.600 0.323 0.000 1.866 174 S CA 1.378 59.715 58.200 0.230 0.000 4.250 174 S CB -1.054 62.269 63.200 0.205 0.000 0.203 174 S HN 0.768 nan 8.310 nan 0.000 0.455 175 F N 2.318 122.361 119.950 0.155 0.000 2.603 175 F HA 0.721 5.276 4.527 0.047 0.000 0.317 175 F C -0.998 174.954 175.800 0.253 0.000 1.066 175 F CA -0.181 57.891 58.000 0.119 0.000 0.941 175 F CB 1.897 40.886 39.000 -0.019 0.000 1.291 175 F HN 0.678 nan 8.300 nan 0.000 0.472 176 Y N 1.469 121.383 120.300 -0.644 0.000 2.565 176 Y HA 0.576 5.154 4.550 0.047 0.000 0.330 176 Y C -2.423 173.115 175.900 -0.604 0.000 1.150 176 Y CA -1.891 56.031 58.100 -0.296 0.000 1.055 176 Y CB 0.379 38.824 38.460 -0.026 0.000 1.337 176 Y HN 0.591 nan 8.280 nan 0.000 0.457 177 Y N 2.167 122.479 120.300 0.019 0.000 2.387 177 Y HA 0.676 5.254 4.550 0.047 0.000 0.330 177 Y C -0.447 175.237 175.900 -0.361 0.000 1.133 177 Y CA -1.151 56.732 58.100 -0.361 0.000 1.152 177 Y CB 2.195 40.327 38.460 -0.548 0.000 1.215 177 Y HN 0.695 nan 8.280 nan 0.000 0.466 178 V N 3.811 123.413 119.914 -0.519 0.000 2.638 178 V HA 0.517 4.665 4.120 0.047 0.000 0.306 178 V C -1.757 174.040 176.094 -0.494 0.000 1.052 178 V CA -0.646 61.455 62.300 -0.332 0.000 0.885 178 V CB 1.149 32.720 31.823 -0.420 0.000 0.999 178 V HN 0.778 nan 8.190 nan 0.000 0.424 179 W N 4.576 125.826 121.300 -0.084 0.000 2.936 179 W HA 0.753 5.442 4.660 0.047 0.000 0.338 179 W C -1.292 175.219 176.519 -0.014 0.000 1.121 179 W CA -0.781 56.507 57.345 -0.095 0.000 1.209 179 W CB 2.316 31.717 29.460 -0.097 0.000 1.420 179 W HN 0.388 nan 8.180 nan 0.000 0.516 180 V N 2.988 123.043 119.914 0.236 0.000 2.577 180 V HA 0.163 4.312 4.120 0.047 0.000 0.303 180 V C 0.081 176.265 176.094 0.151 0.000 1.042 180 V CA -0.940 61.480 62.300 0.200 0.000 0.872 180 V CB 1.561 33.494 31.823 0.183 0.000 0.998 180 V HN 0.704 nan 8.190 nan 0.000 0.423 181 N N 3.870 122.629 118.700 0.098 0.000 2.721 181 N HA -0.225 4.544 4.740 0.047 0.000 0.249 181 N C 1.194 176.745 175.510 0.068 0.000 1.072 181 N CA 1.610 54.682 53.050 0.038 0.000 0.710 181 N CB -1.055 37.441 38.487 0.016 0.000 0.993 181 N HN 1.598 nan 8.380 nan 0.000 0.547 182 G N -1.367 107.502 108.800 0.116 0.000 2.179 182 G HA2 -0.367 3.621 3.960 0.047 0.000 0.260 182 G HA3 -0.367 3.621 3.960 0.047 0.000 0.260 182 G C -0.026 175.052 174.900 0.296 0.000 0.977 182 G CA 0.857 46.071 45.100 0.190 0.000 0.641 182 G HN 0.527 nan 8.290 nan 0.000 0.533 183 K N 0.261 120.808 120.400 0.246 0.000 2.253 183 K HA 0.552 4.900 4.320 0.047 0.000 0.277 183 K C 0.048 176.763 176.600 0.191 0.000 1.053 183 K CA -0.986 55.423 56.287 0.204 0.000 0.892 183 K CB 1.947 34.512 32.500 0.108 0.000 1.102 183 K HN 0.137 nan 8.250 nan 0.000 0.469 184 L N 5.211 126.515 121.223 0.135 0.000 2.597 184 L HA -0.031 4.337 4.340 0.047 0.000 0.271 184 L C 0.533 177.243 176.870 -0.267 0.000 1.157 184 L CA 0.649 55.325 54.840 -0.273 0.000 0.928 184 L CB 0.001 41.893 42.059 -0.278 0.000 1.216 184 L HN 0.746 nan 8.230 nan 0.000 0.481 185 L N 4.965 125.931 121.223 -0.430 0.000 2.095 185 L HA 0.327 4.695 4.340 0.047 0.000 0.204 185 L C 1.331 177.932 176.870 -0.449 0.000 1.080 185 L CA 0.705 55.257 54.840 -0.480 0.000 0.759 185 L CB -0.712 40.825 42.059 -0.871 0.000 0.914 185 L HN 0.907 nan 8.230 nan 0.000 0.439 186 G N -1.894 106.578 108.800 -0.546 0.000 2.398 186 G HA2 0.203 4.192 3.960 0.047 0.000 0.251 186 G HA3 0.203 4.192 3.960 0.047 0.000 0.251 186 G C -1.990 172.729 174.900 -0.303 0.000 1.277 186 G CA -0.157 44.757 45.100 -0.309 0.000 0.927 186 G HN 0.039 nan 8.290 nan 0.000 0.477 187 Y N -1.124 119.139 120.300 -0.062 0.000 2.744 187 Y HA 0.860 5.438 4.550 0.047 0.000 0.330 187 Y C -0.753 174.907 175.900 -0.401 0.000 1.263 187 Y CA -1.288 56.537 58.100 -0.458 0.000 1.065 187 Y CB 1.492 39.577 38.460 -0.624 0.000 1.306 187 Y HN 1.004 nan 8.280 nan 0.000 0.459 188 N N -0.485 117.839 118.700 -0.626 0.000 2.504 188 N HA 0.440 5.208 4.740 0.047 0.000 0.268 188 N C -2.256 173.096 175.510 -0.263 0.000 1.184 188 N CA -0.564 52.251 53.050 -0.392 0.000 0.875 188 N CB 2.394 40.623 38.487 -0.431 0.000 1.630 188 N HN 0.764 nan 8.380 nan 0.000 0.486 189 Q N 0.835 120.641 119.800 0.011 0.000 2.372 189 Q HA 0.652 5.020 4.340 0.047 0.000 0.273 189 Q C -1.194 174.869 176.000 0.105 0.000 1.078 189 Q CA -0.862 55.028 55.803 0.145 0.000 0.806 189 Q CB 2.241 31.107 28.738 0.214 0.000 1.332 189 Q HN 0.962 nan 8.270 nan 0.000 0.435 190 G N 0.785 109.670 108.800 0.141 0.000 3.224 190 G HA2 -0.163 3.826 3.960 0.047 0.000 0.684 190 G HA3 -0.163 3.826 3.960 0.047 0.000 0.684 190 G C 0.165 175.148 174.900 0.139 0.000 1.180 190 G CA -0.027 45.149 45.100 0.126 0.000 1.099 190 G HN 0.619 nan 8.290 nan 0.000 0.476 191 S N 0.411 116.198 115.700 0.145 0.000 2.558 191 S HA 0.178 4.676 4.470 0.047 0.000 0.217 191 S C 1.324 175.983 174.600 0.098 0.000 0.975 191 S CA 0.689 58.965 58.200 0.126 0.000 0.912 191 S CB 0.277 63.538 63.200 0.102 0.000 0.776 191 S HN 0.466 nan 8.310 nan 0.000 0.526 192 K N 2.252 122.723 120.400 0.119 0.000 2.455 192 K HA 0.232 4.580 4.320 0.047 0.000 0.206 192 K C 0.068 176.785 176.600 0.195 0.000 1.027 192 K CA 0.192 56.565 56.287 0.144 0.000 1.113 192 K CB 0.848 33.452 32.500 0.173 0.000 0.850 192 K HN 0.655 nan 8.250 nan 0.000 0.503 193 T N -2.727 111.919 114.554 0.153 0.000 2.903 193 T HA 0.677 5.056 4.350 0.047 0.000 0.299 193 T C -0.275 174.481 174.700 0.094 0.000 1.093 193 T CA -0.971 61.207 62.100 0.130 0.000 1.002 193 T CB 2.189 71.103 68.868 0.076 0.000 1.127 193 T HN 0.050 nan 8.240 nan 0.000 0.488 194 A N 1.129 123.996 122.820 0.078 0.000 2.445 194 A HA 0.687 5.036 4.320 0.047 0.000 0.242 194 A C 0.571 178.126 177.584 -0.048 0.000 1.075 194 A CA -0.249 51.822 52.037 0.057 0.000 0.777 194 A CB -0.499 18.565 19.000 0.107 0.000 1.013 194 A HN 1.635 nan 8.150 nan 0.000 0.493 195 A N 2.458 125.259 122.820 -0.031 0.000 2.330 195 A HA 0.655 5.004 4.320 0.047 0.000 0.313 195 A C -0.330 177.074 177.584 -0.299 0.000 1.124 195 A CA -0.537 51.355 52.037 -0.241 0.000 0.774 195 A CB 0.720 19.655 19.000 -0.108 0.000 1.198 195 A HN 0.846 nan 8.150 nan 0.000 0.465 196 E N 1.566 121.452 120.200 -0.522 0.000 2.312 196 E HA 0.520 4.898 4.350 0.047 0.000 0.267 196 E C -1.511 174.792 176.600 -0.495 0.000 0.894 196 E CA -0.564 55.670 56.400 -0.278 0.000 0.773 196 E CB 2.137 31.809 29.700 -0.048 0.000 1.241 196 E HN 0.720 nan 8.360 nan 0.000 0.432 197 W N 1.285 122.554 121.300 -0.050 0.000 3.022 197 W HA 0.176 4.864 4.660 0.047 0.000 0.335 197 W C -0.726 175.734 176.519 -0.099 0.000 1.133 197 W CA -0.635 56.670 57.345 -0.066 0.000 1.219 197 W CB 1.926 31.357 29.460 -0.048 0.000 1.409 197 W HN 0.485 nan 8.180 nan 0.000 0.507 198 D N 3.551 124.018 120.400 0.112 0.000 2.336 198 D HA 0.184 4.852 4.640 0.047 0.000 0.249 198 D C 0.743 177.082 176.300 0.064 0.000 1.213 198 D CA -0.030 53.971 54.000 0.003 0.000 0.870 198 D CB 0.785 41.569 40.800 -0.028 0.000 1.076 198 D HN 0.405 nan 8.370 nan 0.000 0.483 199 I N 0.735 121.334 120.570 0.049 0.000 3.974 199 I HA 0.089 4.287 4.170 0.047 0.000 0.334 199 I C 1.201 177.361 176.117 0.072 0.000 1.437 199 I CA -0.478 60.869 61.300 0.079 0.000 1.113 199 I CB 0.187 38.255 38.000 0.113 0.000 1.063 199 I HN 0.039 nan 8.210 nan 0.000 0.400 200 T N 1.591 116.169 114.554 0.039 0.000 2.620 200 T HA -0.217 4.161 4.350 0.047 0.000 0.267 200 T C 1.311 176.045 174.700 0.057 0.000 1.044 200 T CA 2.457 64.582 62.100 0.043 0.000 1.161 200 T CB -0.395 68.479 68.868 0.011 0.000 0.862 200 T HN 0.489 nan 8.240 nan 0.000 0.438 201 D N 0.811 121.240 120.400 0.048 0.000 2.312 201 D HA -0.027 4.641 4.640 0.047 0.000 0.211 201 D C 2.099 178.430 176.300 0.050 0.000 0.964 201 D CA 0.756 54.784 54.000 0.047 0.000 0.877 201 D CB -0.127 40.697 40.800 0.040 0.000 0.924 201 D HN 0.509 nan 8.370 nan 0.000 0.515 202 V N -2.029 117.921 119.914 0.060 0.000 3.644 202 V HA 0.195 4.343 4.120 0.047 0.000 0.267 202 V C 1.021 177.153 176.094 0.063 0.000 1.277 202 V CA -0.210 62.127 62.300 0.061 0.000 1.096 202 V CB -0.385 31.479 31.823 0.068 0.000 0.828 202 V HN -0.080 nan 8.190 nan 0.000 0.446 203 L N 2.688 123.958 121.223 0.079 0.000 2.467 203 L HA 0.466 4.834 4.340 0.047 0.000 0.270 203 L C 0.579 177.472 176.870 0.039 0.000 1.205 203 L CA 0.873 55.759 54.840 0.078 0.000 0.828 203 L CB 1.157 43.293 42.059 0.128 0.000 1.101 203 L HN 0.601 nan 8.230 nan 0.000 0.479 204 S N 0.604 116.304 115.700 0.001 0.000 2.595 204 S HA 0.444 4.942 4.470 0.047 0.000 0.281 204 S C -0.736 173.848 174.600 -0.027 0.000 1.117 204 S CA -1.133 57.061 58.200 -0.011 0.000 0.873 204 S CB 1.808 64.991 63.200 -0.028 0.000 1.108 204 S HN 0.574 nan 8.310 nan 0.000 0.477 205 E N 0.546 120.737 120.200 -0.016 0.000 2.422 205 E HA 0.447 4.825 4.350 0.047 0.000 0.260 205 E C 1.128 177.696 176.600 -0.053 0.000 1.108 205 E CA 0.601 56.989 56.400 -0.021 0.000 0.943 205 E CB 0.024 29.718 29.700 -0.009 0.000 0.961 205 E HN 1.187 nan 8.360 nan 0.000 0.443 206 G N 1.750 110.515 108.800 -0.059 0.000 2.528 206 G HA2 -0.356 3.633 3.960 0.047 0.000 0.262 206 G HA3 -0.356 3.633 3.960 0.047 0.000 0.262 206 G C -0.261 174.558 174.900 -0.134 0.000 1.200 206 G CA 0.139 45.191 45.100 -0.080 0.000 0.951 206 G HN 0.679 nan 8.290 nan 0.000 0.566 207 E N 1.168 121.280 120.200 -0.145 0.000 2.299 207 E HA 0.258 4.636 4.350 0.047 0.000 0.272 207 E C 0.030 176.450 176.600 -0.300 0.000 1.043 207 E CA -0.286 55.987 56.400 -0.210 0.000 0.895 207 E CB -0.004 29.603 29.700 -0.154 0.000 1.011 207 E HN 0.423 nan 8.360 nan 0.000 0.432 208 N N 2.628 120.997 118.700 -0.551 0.000 2.404 208 N HA 0.386 5.154 4.740 0.047 0.000 0.297 208 N C -1.294 173.809 175.510 -0.678 0.000 1.163 208 N CA -0.547 52.062 53.050 -0.735 0.000 0.864 208 N CB 2.111 39.815 38.487 -1.306 0.000 1.247 208 N HN 0.162 nan 8.380 nan 0.000 0.510 209 V N 1.239 120.963 119.914 -0.318 0.000 2.577 209 V HA 0.355 4.503 4.120 0.047 0.000 0.303 209 V C -0.390 175.806 176.094 0.169 0.000 1.042 209 V CA -0.818 61.442 62.300 -0.066 0.000 0.872 209 V CB 2.047 33.825 31.823 -0.074 0.000 0.998 209 V HN 0.361 nan 8.190 nan 0.000 0.423 210 V N 4.503 124.592 119.914 0.292 0.000 2.495 210 V HA 0.970 5.118 4.120 0.047 0.000 0.298 210 V C -0.044 176.243 176.094 0.322 0.000 1.031 210 V CA 0.005 62.498 62.300 0.321 0.000 0.871 210 V CB 1.626 33.630 31.823 0.301 0.000 0.988 210 V HN 1.177 nan 8.190 nan 0.000 0.432 211 A N 7.235 130.294 122.820 0.398 0.000 2.435 211 A HA 0.923 5.271 4.320 0.047 0.000 0.304 211 A C -1.824 176.189 177.584 0.714 0.000 1.064 211 A CA -0.662 51.690 52.037 0.525 0.000 0.727 211 A CB 1.778 20.832 19.000 0.090 0.000 1.284 211 A HN 0.722 nan 8.150 nan 0.000 0.415 212 L N 1.322 123.051 121.223 0.843 0.000 2.409 212 L HA 0.512 4.880 4.340 0.047 0.000 0.272 212 L C -0.255 177.162 176.870 0.912 0.000 0.980 212 L CA -0.062 55.203 54.840 0.708 0.000 0.826 212 L CB 1.608 43.819 42.059 0.254 0.000 1.268 212 L HN 0.977 nan 8.230 nan 0.000 0.407 213 E N 2.810 123.578 120.200 0.947 0.000 2.121 213 E HA 0.452 4.830 4.350 0.047 0.000 0.255 213 E C -1.261 175.677 176.600 0.563 0.000 0.906 213 E CA -0.380 56.481 56.400 0.769 0.000 0.745 213 E CB 1.342 31.704 29.700 1.104 0.000 1.155 213 E HN 0.354 nan 8.360 nan 0.000 0.424 214 V N 4.888 125.036 119.914 0.389 0.000 2.439 214 V HA 0.259 4.407 4.120 0.047 0.000 0.282 214 V C -0.574 175.604 176.094 0.140 0.000 1.039 214 V CA -0.474 62.060 62.300 0.390 0.000 0.913 214 V CB 0.590 32.689 31.823 0.461 0.000 0.983 214 V HN 0.542 nan 8.190 nan 0.000 0.460 215 Y N 3.193 123.581 120.300 0.145 0.000 2.341 215 Y HA 0.415 4.994 4.550 0.047 0.000 0.337 215 Y C 1.274 177.118 175.900 -0.094 0.000 1.014 215 Y CA -0.531 57.515 58.100 -0.091 0.000 1.111 215 Y CB 1.556 39.787 38.460 -0.383 0.000 1.194 215 Y HN 0.554 nan 8.280 nan 0.000 0.462 216 R N 2.462 122.887 120.500 -0.125 0.000 2.081 216 R HA -0.087 4.281 4.340 0.047 0.000 0.235 216 R C -0.506 175.603 176.300 -0.318 0.000 1.131 216 R CA 1.336 57.209 56.100 -0.378 0.000 0.960 216 R CB 0.193 30.044 30.300 -0.748 0.000 0.856 216 R HN 0.570 nan 8.270 nan 0.000 0.436 217 W N 0.081 121.344 121.300 -0.063 0.000 2.761 217 W HA 0.445 5.133 4.660 0.047 0.000 0.340 217 W C -0.458 175.998 176.519 -0.105 0.000 1.072 217 W CA -0.775 56.495 57.345 -0.125 0.000 1.215 217 W CB 1.433 30.699 29.460 -0.323 0.000 1.420 217 W HN 0.087 nan 8.180 nan 0.000 0.519 218 S N -0.836 114.983 115.700 0.197 0.000 2.643 218 S HA 0.342 4.840 4.470 0.047 0.000 0.270 218 S C 0.389 175.093 174.600 0.173 0.000 1.166 218 S CA -0.454 57.851 58.200 0.176 0.000 0.815 218 S CB 1.454 64.759 63.200 0.176 0.000 1.139 218 S HN 0.189 nan 8.310 nan 0.000 0.472 219 S N 0.645 116.449 115.700 0.175 0.000 2.387 219 S HA -0.030 4.468 4.470 0.047 0.000 0.230 219 S C 2.010 176.891 174.600 0.469 0.000 1.035 219 S CA 1.775 60.170 58.200 0.325 0.000 1.014 219 S CB -1.170 62.073 63.200 0.072 0.000 0.836 219 S HN 1.080 nan 8.310 nan 0.000 0.466 220 G N 1.241 110.232 108.800 0.319 0.000 2.462 220 G HA2 -0.071 3.917 3.960 0.047 0.000 0.220 220 G HA3 -0.071 3.917 3.960 0.047 0.000 0.220 220 G C 1.454 176.563 174.900 0.348 0.000 1.121 220 G CA 0.823 46.125 45.100 0.335 0.000 0.758 220 G HN 0.601 nan 8.290 nan 0.000 0.559 221 A N -0.048 122.959 122.820 0.311 0.000 2.076 221 A HA 0.005 4.353 4.320 0.047 0.000 0.220 221 A C 2.042 179.821 177.584 0.324 0.000 1.160 221 A CA 1.123 53.346 52.037 0.311 0.000 0.653 221 A CB -0.547 18.642 19.000 0.316 0.000 0.801 221 A HN 0.453 nan 8.150 nan 0.000 0.455 222 Y N -0.461 120.015 120.300 0.293 0.000 2.403 222 Y HA -0.011 4.567 4.550 0.047 0.000 0.291 222 Y C 1.602 177.660 175.900 0.262 0.000 1.143 222 Y CA 1.096 59.310 58.100 0.189 0.000 1.257 222 Y CB -0.017 38.384 38.460 -0.099 0.000 0.984 222 Y HN 0.208 nan 8.280 nan 0.000 0.550 223 L N -0.357 121.078 121.223 0.353 0.000 2.769 223 L HA 0.155 4.523 4.340 0.047 0.000 0.240 223 L C -0.019 177.010 176.870 0.265 0.000 1.163 223 L CA 0.340 55.325 54.840 0.241 0.000 0.962 223 L CB 0.156 42.301 42.059 0.145 0.000 1.258 223 L HN 0.108 nan 8.230 nan 0.000 0.513 224 E N -0.355 120.033 120.200 0.314 0.000 3.846 224 E HA 0.108 4.486 4.350 0.047 0.000 0.216 224 E C -0.309 176.465 176.600 0.290 0.000 1.092 224 E CA -0.127 56.453 56.400 0.300 0.000 1.370 224 E CB 0.851 30.719 29.700 0.280 0.000 1.227 224 E HN 0.145 nan 8.360 nan 0.000 0.442 225 C N 1.929 121.370 119.300 0.235 0.000 2.336 225 C HA 0.214 4.702 4.460 0.047 0.000 0.332 225 C C 0.454 175.509 174.990 0.109 0.000 1.375 225 C CA -0.312 58.748 59.018 0.069 0.000 1.785 225 C CB -1.445 26.172 27.740 -0.206 0.000 2.407 225 C HN 0.468 nan 8.230 nan 0.000 0.562 226 Q N 1.417 121.372 119.800 0.259 0.000 2.421 226 Q HA 0.215 4.583 4.340 0.047 0.000 0.255 226 Q C 0.364 176.546 176.000 0.303 0.000 1.013 226 Q CA 0.719 56.748 55.803 0.377 0.000 0.895 226 Q CB 0.533 29.658 28.738 0.644 0.000 1.271 226 Q HN 0.541 nan 8.270 nan 0.000 0.460 230 R N 3.963 124.766 120.500 0.506 0.000 2.204 230 R HA 0.638 5.006 4.340 0.047 0.000 0.341 230 R C -0.682 175.804 176.300 0.310 0.000 1.035 230 R CA -0.487 55.829 56.100 0.361 0.000 0.887 230 R CB 0.229 30.729 30.300 0.333 0.000 1.114 230 R HN 0.523 nan 8.270 nan 0.000 0.473 231 L N 0.182 121.512 121.223 0.179 0.000 2.230 231 L HA 0.630 4.998 4.340 0.047 0.000 0.255 231 L C 0.228 176.963 176.870 -0.225 0.000 1.039 231 L CA -0.888 53.945 54.840 -0.013 0.000 0.846 231 L CB 1.988 44.051 42.059 0.007 0.000 1.419 231 L HN 0.449 nan 8.230 nan 0.000 0.435 232 S N -1.359 114.003 115.700 -0.564 0.000 2.697 232 S HA 0.948 5.446 4.470 0.047 0.000 0.289 232 S C -0.241 173.823 174.600 -0.892 0.000 1.149 232 S CA -0.256 57.410 58.200 -0.891 0.000 0.850 232 S CB 1.887 64.130 63.200 -1.597 0.000 1.151 232 S HN 1.235 nan 8.310 nan 0.000 0.491 233 G N 0.197 108.604 108.800 -0.654 0.000 2.610 233 G HA2 -0.089 3.900 3.960 0.047 0.000 0.304 233 G HA3 -0.089 3.900 3.960 0.047 0.000 0.304 233 G C -0.992 173.833 174.900 -0.125 0.000 1.309 233 G CA -0.780 44.268 45.100 -0.086 0.000 0.906 233 G HN 0.823 nan 8.290 nan 0.000 0.521 234 I N 1.649 122.092 120.570 -0.210 0.000 2.406 234 I HA 0.159 4.358 4.170 0.047 0.000 0.293 234 I C 1.432 177.433 176.117 -0.193 0.000 1.101 234 I CA 0.104 61.191 61.300 -0.356 0.000 1.334 234 I CB 0.738 38.327 38.000 -0.685 0.000 1.421 234 I HN 0.684 nan 8.210 nan 0.000 0.513 235 E N 5.634 125.761 120.200 -0.122 0.000 2.250 235 E HA 0.090 4.468 4.350 0.047 0.000 0.192 235 E C 0.422 177.024 176.600 0.004 0.000 0.986 235 E CA 0.530 56.898 56.400 -0.054 0.000 0.849 235 E CB 0.443 30.125 29.700 -0.030 0.000 0.797 235 E HN 0.577 nan 8.360 nan 0.000 0.482 236 R N 0.812 121.327 120.500 0.025 0.000 2.912 236 R HA 0.214 4.582 4.340 0.047 0.000 0.262 236 R C -0.789 175.586 176.300 0.126 0.000 1.057 236 R CA -0.956 55.225 56.100 0.135 0.000 0.981 236 R CB 1.049 31.482 30.300 0.222 0.000 1.201 236 R HN -0.047 nan 8.270 nan 0.000 0.484 237 D N 0.975 121.529 120.400 0.256 0.000 2.548 237 D HA 0.020 4.688 4.640 0.047 0.000 0.231 237 D C -0.432 176.026 176.300 0.263 0.000 1.142 237 D CA 0.706 54.890 54.000 0.308 0.000 0.866 237 D CB 0.670 41.774 40.800 0.506 0.000 1.190 237 D HN -0.017 nan 8.370 nan 0.000 0.469 238 V N 2.826 122.886 119.914 0.244 0.000 2.540 238 V HA 0.518 4.667 4.120 0.047 0.000 0.302 238 V C -0.522 175.740 176.094 0.280 0.000 1.035 238 V CA -0.667 61.726 62.300 0.155 0.000 0.873 238 V CB 1.035 32.939 31.823 0.135 0.000 0.992 238 V HN 0.566 nan 8.190 nan 0.000 0.428 239 Y N 3.545 123.923 120.300 0.130 0.000 2.689 239 Y HA 0.877 5.455 4.550 0.047 0.000 0.333 239 Y C -1.933 173.976 175.900 0.016 0.000 1.208 239 Y CA -1.655 56.442 58.100 -0.005 0.000 1.055 239 Y CB 1.247 39.587 38.460 -0.201 0.000 1.304 239 Y HN 0.372 nan 8.280 nan 0.000 0.455 240 L N 2.414 123.771 121.223 0.222 0.000 2.342 240 L HA 0.644 5.012 4.340 0.047 0.000 0.271 240 L C -1.004 176.131 176.870 0.442 0.000 1.008 240 L CA -1.192 53.805 54.840 0.261 0.000 0.818 240 L CB 1.662 43.889 42.059 0.281 0.000 1.296 240 L HN 0.795 nan 8.230 nan 0.000 0.427 241 Y N -0.489 119.925 120.300 0.191 0.000 2.534 241 Y HA 0.831 5.409 4.550 0.047 0.000 0.345 241 Y C -0.772 174.951 175.900 -0.294 0.000 1.031 241 Y CA -1.267 56.872 58.100 0.064 0.000 1.022 241 Y CB 1.720 40.366 38.460 0.311 0.000 1.292 241 Y HN 0.529 nan 8.280 nan 0.000 0.459 242 S N 1.279 116.718 115.700 -0.435 0.000 2.526 242 S HA 0.886 5.384 4.470 0.047 0.000 0.293 242 S C -0.653 173.742 174.600 -0.341 0.000 1.092 242 S CA -0.051 57.781 58.200 -0.613 0.000 0.980 242 S CB 1.806 64.254 63.200 -1.252 0.000 1.048 242 S HN 1.322 nan 8.310 nan 0.000 0.483 243 T N -1.028 113.356 114.554 -0.284 0.000 2.864 243 T HA 0.797 5.176 4.350 0.047 0.000 0.289 243 T C -3.197 171.406 174.700 -0.163 0.000 1.082 243 T CA -2.137 59.840 62.100 -0.204 0.000 1.009 243 T CB 1.441 70.250 68.868 -0.097 0.000 1.234 243 T HN 0.489 nan 8.240 nan 0.000 0.526 244 P HA 0.325 nan 4.420 nan 0.000 0.277 244 P C 0.469 177.806 177.300 0.062 0.000 1.271 244 P CA -0.534 62.555 63.100 -0.018 0.000 0.795 244 P CB 0.861 32.560 31.700 -0.002 0.000 1.101 245 K N -0.602 119.840 120.400 0.070 0.000 2.074 245 K HA -0.153 4.195 4.320 0.047 0.000 0.209 245 K C 1.190 177.915 176.600 0.208 0.000 1.048 245 K CA 1.468 57.824 56.287 0.116 0.000 0.926 245 K CB -0.371 32.172 32.500 0.071 0.000 0.713 245 K HN 0.552 nan 8.250 nan 0.000 0.444 246 Q N 0.258 120.135 119.800 0.128 0.000 2.331 246 Q HA 0.187 4.555 4.340 0.047 0.000 0.257 246 Q C -1.276 174.786 176.000 0.102 0.000 0.957 246 Q CA -0.525 55.308 55.803 0.049 0.000 0.923 246 Q CB 0.639 29.377 28.738 0.001 0.000 1.212 246 Q HN 0.125 nan 8.270 nan 0.000 0.443 247 Y N 1.273 121.564 120.300 -0.015 0.000 2.665 247 Y HA 0.624 5.203 4.550 0.047 0.000 0.336 247 Y C -0.880 175.022 175.900 0.004 0.000 1.085 247 Y CA -1.489 56.604 58.100 -0.011 0.000 1.096 247 Y CB 0.955 39.404 38.460 -0.018 0.000 1.301 247 Y HN 0.366 nan 8.280 nan 0.000 0.493 248 I N 2.458 123.127 120.570 0.166 0.000 2.308 248 I HA 0.304 4.502 4.170 0.047 0.000 0.293 248 I C 0.648 176.880 176.117 0.192 0.000 1.078 248 I CA -0.149 61.216 61.300 0.109 0.000 1.292 248 I CB 1.324 39.407 38.000 0.138 0.000 1.423 248 I HN 0.974 nan 8.210 nan 0.000 0.493 249 A N 4.633 127.488 122.820 0.059 0.000 1.935 249 A HA 0.024 4.372 4.320 0.047 0.000 0.214 249 A C 0.531 178.115 177.584 -0.000 0.000 1.178 249 A CA 1.085 53.166 52.037 0.075 0.000 0.640 249 A CB 0.021 19.008 19.000 -0.021 0.000 0.825 249 A HN 0.720 nan 8.150 nan 0.000 0.447 250 D N -3.844 116.599 120.400 0.072 0.000 2.683 250 D HA 0.478 5.146 4.640 0.047 0.000 0.246 250 D C -1.472 174.925 176.300 0.161 0.000 1.238 250 D CA -0.459 53.572 54.000 0.051 0.000 0.759 250 D CB 0.926 41.743 40.800 0.028 0.000 1.349 250 D HN 0.339 nan 8.370 nan 0.000 0.426 251 Y N -0.585 119.712 120.300 -0.005 0.000 2.558 251 Y HA 0.565 5.143 4.550 0.047 0.000 0.333 251 Y C -1.640 174.230 175.900 -0.050 0.000 1.125 251 Y CA -1.115 56.980 58.100 -0.008 0.000 1.039 251 Y CB 1.281 39.733 38.460 -0.014 0.000 1.331 251 Y HN 0.333 nan 8.280 nan 0.000 0.456 252 K N 3.131 123.594 120.400 0.105 0.000 2.358 252 K HA 0.748 5.096 4.320 0.047 0.000 0.260 252 K C -1.776 174.806 176.600 -0.030 0.000 0.956 252 K CA -0.759 55.521 56.287 -0.012 0.000 0.834 252 K CB 1.714 34.226 32.500 0.021 0.000 1.102 252 K HN 0.717 nan 8.250 nan 0.000 0.431 253 V N 2.138 121.997 119.914 -0.091 0.000 2.612 253 V HA 0.436 4.585 4.120 0.047 0.000 0.301 253 V C -0.397 175.550 176.094 -0.245 0.000 1.046 253 V CA -0.709 61.467 62.300 -0.206 0.000 0.946 253 V CB 1.676 33.416 31.823 -0.138 0.000 1.003 253 V HN 0.806 nan 8.190 nan 0.000 0.459 254 S N 2.785 118.263 115.700 -0.371 0.000 2.721 254 S HA 0.674 5.172 4.470 0.047 0.000 0.264 254 S C -0.470 173.946 174.600 -0.307 0.000 1.161 254 S CA -0.126 57.914 58.200 -0.266 0.000 1.113 254 S CB 0.759 63.845 63.200 -0.189 0.000 1.079 254 S HN 1.131 nan 8.310 nan 0.000 0.479 255 A N 3.647 126.285 122.820 -0.303 0.000 2.511 255 A HA 0.727 5.075 4.320 0.047 0.000 0.340 255 A C 0.263 177.765 177.584 -0.136 0.000 1.396 255 A CA -0.468 51.290 52.037 -0.466 0.000 0.887 255 A CB 0.596 18.954 19.000 -1.070 0.000 1.145 255 A HN 0.657 nan 8.150 nan 0.000 0.497 256 S N 1.686 117.465 115.700 0.130 0.000 2.776 256 S HA 0.904 5.402 4.470 0.047 0.000 0.306 256 S C -0.502 174.279 174.600 0.301 0.000 1.114 256 S CA -0.505 57.808 58.200 0.188 0.000 0.973 256 S CB 0.712 63.976 63.200 0.106 0.000 1.250 256 S HN 0.591 nan 8.310 nan 0.000 0.549 257 L N 1.703 123.056 121.223 0.217 0.000 2.371 257 L HA 0.469 4.837 4.340 0.047 0.000 0.262 257 L C -0.610 176.290 176.870 0.050 0.000 1.006 257 L CA -1.152 53.792 54.840 0.173 0.000 0.818 257 L CB 1.818 44.034 42.059 0.262 0.000 1.354 257 L HN 0.763 nan 8.230 nan 0.000 0.415 258 D N 1.280 121.660 120.400 -0.033 0.000 2.443 258 D HA -0.015 4.653 4.640 0.047 0.000 0.239 258 D C 0.002 176.077 176.300 -0.376 0.000 1.136 258 D CA -0.311 53.612 54.000 -0.129 0.000 0.879 258 D CB 1.377 42.113 40.800 -0.106 0.000 1.195 258 D HN 0.343 nan 8.370 nan 0.000 0.443 259 K N 1.625 121.813 120.400 -0.354 0.000 2.525 259 K HA 0.000 4.349 4.320 0.047 0.000 0.192 259 K C 1.181 177.433 176.600 -0.580 0.000 1.029 259 K CA 0.417 56.368 56.287 -0.560 0.000 1.029 259 K CB 0.212 32.600 32.500 -0.188 0.000 0.814 259 K HN 0.603 nan 8.250 nan 0.000 0.503 260 E N 0.083 120.046 120.200 -0.394 0.000 2.201 260 E HA 0.029 4.407 4.350 0.047 0.000 0.193 260 E C 1.111 177.613 176.600 -0.163 0.000 0.957 260 E CA 0.433 56.708 56.400 -0.209 0.000 0.858 260 E CB 0.421 30.060 29.700 -0.103 0.000 0.816 260 E HN 0.006 nan 8.360 nan 0.000 0.475 261 K N -0.404 119.881 120.400 -0.192 0.000 2.474 261 K HA 0.102 4.451 4.320 0.047 0.000 0.204 261 K C -0.384 176.277 176.600 0.101 0.000 1.220 261 K CA -0.085 56.192 56.287 -0.017 0.000 0.966 261 K CB 0.437 32.936 32.500 -0.002 0.000 1.049 261 K HN 0.048 nan 8.250 nan 0.000 0.554 262 Y N 1.121 121.450 120.300 0.048 0.000 3.389 262 Y HA -0.285 4.293 4.550 0.047 0.000 0.213 262 Y C 1.060 176.993 175.900 0.055 0.000 1.272 262 Y CA 0.567 58.704 58.100 0.061 0.000 1.444 262 Y CB -1.607 36.901 38.460 0.079 0.000 1.445 262 Y HN -0.009 nan 8.280 nan 0.000 0.583 263 K N -0.215 120.250 120.400 0.108 0.000 2.443 263 K HA 0.129 4.478 4.320 0.047 0.000 0.200 263 K C 0.531 177.140 176.600 0.014 0.000 1.278 263 K CA 0.208 56.536 56.287 0.068 0.000 0.925 263 K CB 0.395 32.922 32.500 0.046 0.000 1.225 263 K HN 0.467 nan 8.250 nan 0.000 0.514 264 E N 1.367 121.563 120.200 -0.006 0.000 2.194 264 E HA 0.267 4.646 4.350 0.047 0.000 0.284 264 E C -0.374 176.201 176.600 -0.042 0.000 1.035 264 E CA -0.351 56.023 56.400 -0.042 0.000 0.836 264 E CB 0.824 30.503 29.700 -0.035 0.000 1.070 264 E HN 0.167 nan 8.360 nan 0.000 0.401 265 G N 4.664 113.376 108.800 -0.147 0.000 2.415 265 G HA2 0.384 4.372 3.960 0.047 0.000 0.269 265 G HA3 0.384 4.372 3.960 0.047 0.000 0.269 265 G C -0.382 174.526 174.900 0.013 0.000 1.209 265 G CA -0.517 44.482 45.100 -0.168 0.000 0.835 265 G HN 0.485 nan 8.290 nan 0.000 0.534 266 I N 2.078 122.795 120.570 0.244 0.000 2.382 266 I HA 0.320 4.518 4.170 0.047 0.000 0.286 266 I C -0.979 175.360 176.117 0.370 0.000 1.002 266 I CA -1.264 60.171 61.300 0.226 0.000 1.135 266 I CB 1.104 39.180 38.000 0.127 0.000 1.288 266 I HN 0.334 nan 8.210 nan 0.000 0.448 267 F N 7.081 127.134 119.950 0.171 0.000 2.436 267 F HA 0.523 5.078 4.527 0.047 0.000 0.340 267 F C -0.130 175.676 175.800 0.011 0.000 1.113 267 F CA -0.183 57.882 58.000 0.108 0.000 1.022 267 F CB 0.907 39.982 39.000 0.125 0.000 1.128 267 F HN 0.413 nan 8.300 nan 0.000 0.466 268 N N 5.256 123.524 118.700 -0.718 0.000 2.242 268 N HA 0.638 5.406 4.740 0.047 0.000 0.292 268 N C -2.188 172.837 175.510 -0.809 0.000 1.125 268 N CA -0.542 52.197 53.050 -0.517 0.000 0.783 268 N CB 2.703 41.048 38.487 -0.237 0.000 1.558 268 N HN 0.627 nan 8.380 nan 0.000 0.472 269 L N 0.986 121.935 121.223 -0.457 0.000 2.565 269 L HA 0.419 4.788 4.340 0.047 0.000 0.261 269 L C -1.371 175.485 176.870 -0.024 0.000 0.932 269 L CA -0.259 54.372 54.840 -0.348 0.000 0.878 269 L CB 1.872 43.591 42.059 -0.568 0.000 1.333 269 L HN 0.520 nan 8.230 nan 0.000 0.409 270 E N 3.689 123.891 120.200 0.002 0.000 2.238 270 E HA 0.801 5.179 4.350 0.047 0.000 0.267 270 E C -1.476 175.167 176.600 0.072 0.000 0.887 270 E CA -0.955 55.432 56.400 -0.021 0.000 0.769 270 E CB 2.936 32.702 29.700 0.111 0.000 1.187 270 E HN 0.370 nan 8.360 nan 0.000 0.416 271 V N 1.595 121.494 119.914 -0.024 0.000 2.841 271 V HA 0.432 4.580 4.120 0.047 0.000 0.310 271 V C -0.584 175.547 176.094 0.061 0.000 1.090 271 V CA -0.786 61.572 62.300 0.097 0.000 0.930 271 V CB 2.388 34.289 31.823 0.131 0.000 1.014 271 V HN 0.714 nan 8.190 nan 0.000 0.425 272 T N 3.212 117.847 114.554 0.135 0.000 2.786 272 T HA 0.614 4.992 4.350 0.047 0.000 0.283 272 T C -0.565 174.138 174.700 0.006 0.000 0.992 272 T CA -0.394 61.775 62.100 0.115 0.000 0.954 272 T CB 1.550 70.500 68.868 0.137 0.000 0.934 272 T HN 0.365 nan 8.240 nan 0.000 0.440 273 V N 4.021 123.904 119.914 -0.051 0.000 2.417 273 V HA 0.442 4.590 4.120 0.047 0.000 0.291 273 V C 0.024 175.969 176.094 -0.247 0.000 1.024 273 V CA -0.735 61.473 62.300 -0.153 0.000 0.861 273 V CB 1.635 33.395 31.823 -0.104 0.000 0.985 273 V HN 0.844 nan 8.190 nan 0.000 0.436 274 E N 2.311 122.196 120.200 -0.525 0.000 2.281 274 E HA 0.804 5.182 4.350 0.047 0.000 0.262 274 E C 0.118 176.366 176.600 -0.586 0.000 0.933 274 E CA -0.239 55.833 56.400 -0.547 0.000 0.809 274 E CB 2.227 31.584 29.700 -0.572 0.000 1.242 274 E HN 1.061 nan 8.360 nan 0.000 0.418 275 G N 1.528 110.182 108.800 -0.243 0.000 2.619 275 G HA2 -0.107 3.881 3.960 0.047 0.000 0.686 275 G HA3 -0.107 3.881 3.960 0.047 0.000 0.686 275 G C -2.959 171.915 174.900 -0.044 0.000 1.256 275 G CA -0.980 44.081 45.100 -0.065 0.000 0.826 275 G HN 0.388 nan 8.290 nan 0.000 0.619 276 P HA 0.692 nan 4.420 nan 0.000 0.281 276 P C -0.419 176.882 177.300 0.001 0.000 1.281 276 P CA -0.266 62.833 63.100 -0.001 0.000 0.811 276 P CB 2.047 33.754 31.700 0.012 0.000 1.154 277 S N -1.803 113.897 115.700 -0.000 0.000 0.000 277 S HA 0.429 4.928 4.470 0.047 0.000 0.000 277 S C 0.397 174.998 174.600 0.002 0.000 0.000 277 S CA -0.004 58.198 58.200 0.003 0.000 0.000 277 S CB -0.055 63.143 63.200 -0.004 0.000 0.000 277 S HN 0.514 nan 8.310 nan 0.000 0.000 278 A N 3.318 126.141 122.820 0.006 0.000 1.897 278 A HA 0.220 4.568 4.320 0.047 0.000 0.215 278 A C 1.446 179.032 177.584 0.003 0.000 1.181 278 A CA 1.841 53.881 52.037 0.005 0.000 0.620 278 A CB -1.021 17.984 19.000 0.008 0.000 0.821 278 A HN 1.253 nan 8.150 nan 0.000 0.443 279 T N -2.883 111.673 114.554 0.005 0.000 2.810 279 T HA 0.645 5.023 4.350 0.047 0.000 0.277 279 T C 0.297 174.998 174.700 0.000 0.000 0.973 279 T CA -0.341 61.761 62.100 0.004 0.000 0.949 279 T CB 0.969 69.841 68.868 0.007 0.000 1.075 279 T HN 0.772 nan 8.240 nan 0.000 0.537 280 A N 0.905 123.724 122.820 -0.000 0.000 2.351 280 A HA 0.647 4.995 4.320 0.047 0.000 0.257 280 A C 0.582 178.165 177.584 -0.002 0.000 1.087 280 A CA -0.283 51.752 52.037 -0.004 0.000 0.798 280 A CB -0.218 18.780 19.000 -0.004 0.000 1.033 280 A HN 1.543 nan 8.150 nan 0.000 0.488 281 S N -0.227 115.470 115.700 -0.006 0.000 2.671 281 S HA 0.867 5.365 4.470 0.047 0.000 0.277 281 S C -0.594 174.003 174.600 -0.005 0.000 1.165 281 S CA -0.005 58.194 58.200 -0.002 0.000 0.822 281 S CB 1.389 64.588 63.200 -0.003 0.000 1.150 281 S HN 2.066 nan 8.310 nan 0.000 0.479 282 S N -0.197 115.506 115.700 0.004 0.000 2.579 282 S HA 0.765 5.263 4.470 0.047 0.000 0.272 282 S C -1.427 173.194 174.600 0.035 0.000 1.141 282 S CA -0.791 57.415 58.200 0.010 0.000 0.843 282 S CB 1.260 64.468 63.200 0.014 0.000 1.122 282 S HN 1.288 nan 8.310 nan 0.000 0.468 283 I N 1.429 122.038 120.570 0.064 0.000 2.433 283 I HA 0.863 5.061 4.170 0.047 0.000 0.292 283 I C -0.301 175.967 176.117 0.253 0.000 1.001 283 I CA -0.504 60.879 61.300 0.139 0.000 1.119 283 I CB 1.124 39.218 38.000 0.156 0.000 1.289 283 I HN 1.160 nan 8.210 nan 0.000 0.438 284 A N 6.324 129.250 122.820 0.176 0.000 2.479 284 A HA 0.876 5.224 4.320 0.047 0.000 0.296 284 A C -1.789 175.815 177.584 0.034 0.000 1.121 284 A CA -0.468 51.629 52.037 0.100 0.000 0.743 284 A CB 1.297 20.301 19.000 0.008 0.000 1.323 284 A HN 0.928 nan 8.150 nan 0.000 0.415 285 Y N -1.503 118.687 120.300 -0.183 0.000 2.562 285 Y HA 0.817 5.395 4.550 0.047 0.000 0.345 285 Y C -0.877 174.906 175.900 -0.194 0.000 1.045 285 Y CA -0.971 56.986 58.100 -0.238 0.000 1.028 285 Y CB 1.447 39.667 38.460 -0.400 0.000 1.297 285 Y HN 0.475 nan 8.280 nan 0.000 0.463 286 T N 5.124 119.688 114.554 0.015 0.000 2.949 286 T HA 0.402 4.780 4.350 0.047 0.000 0.300 286 T C -1.624 173.100 174.700 0.039 0.000 0.988 286 T CA -0.389 61.676 62.100 -0.058 0.000 0.993 286 T CB 1.165 69.988 68.868 -0.076 0.000 0.984 286 T HN 0.776 nan 8.240 nan 0.000 0.442 287 L N 4.372 125.607 121.223 0.020 0.000 2.264 287 L HA 0.555 4.923 4.340 0.047 0.000 0.289 287 L C -0.383 176.497 176.870 0.017 0.000 1.044 287 L CA 0.010 54.823 54.840 -0.044 0.000 0.807 287 L CB 0.283 42.170 42.059 -0.287 0.000 1.192 287 L HN 0.473 nan 8.230 nan 0.000 0.425 288 K N 2.860 123.305 120.400 0.075 0.000 2.203 288 K HA 0.478 4.826 4.320 0.047 0.000 0.251 288 K C -0.935 175.761 176.600 0.160 0.000 0.944 288 K CA -0.925 55.415 56.287 0.088 0.000 0.829 288 K CB 1.460 33.975 32.500 0.026 0.000 1.125 288 K HN 0.663 nan 8.250 nan 0.000 0.430 289 D N 0.383 120.841 120.400 0.095 0.000 2.433 289 D HA 0.168 4.836 4.640 0.047 0.000 0.255 289 D C 0.939 177.157 176.300 -0.137 0.000 1.226 289 D CA -0.575 53.358 54.000 -0.112 0.000 1.015 289 D CB 0.461 41.199 40.800 -0.103 0.000 1.091 289 D HN 0.429 nan 8.370 nan 0.000 0.527 290 A N -0.000 122.690 122.820 -0.217 0.000 1.986 290 A HA -0.188 4.161 4.320 0.047 0.000 0.220 290 A C 2.036 179.570 177.584 -0.083 0.000 1.171 290 A CA 2.389 54.344 52.037 -0.137 0.000 0.640 290 A CB -1.268 17.645 19.000 -0.145 0.000 0.811 290 A HN 0.642 nan 8.150 nan 0.000 0.451 291 S N -2.273 113.382 115.700 -0.075 0.000 2.522 291 S HA 0.346 4.844 4.470 0.047 0.000 0.227 291 S C 1.466 176.045 174.600 -0.034 0.000 0.986 291 S CA 1.187 59.358 58.200 -0.048 0.000 0.929 291 S CB -0.176 62.998 63.200 -0.043 0.000 0.769 291 S HN 1.944 nan 8.310 nan 0.000 0.529 292 G N 0.788 109.568 108.800 -0.033 0.000 2.195 292 G HA2 -0.244 3.744 3.960 0.047 0.000 0.224 292 G HA3 -0.244 3.744 3.960 0.047 0.000 0.224 292 G C -0.045 174.847 174.900 -0.012 0.000 0.990 292 G CA 0.054 45.142 45.100 -0.020 0.000 0.639 292 G HN 0.703 nan 8.290 nan 0.000 0.514 293 K N 1.237 121.630 120.400 -0.011 0.000 2.298 293 K HA 0.648 4.997 4.320 0.047 0.000 0.280 293 K C 0.825 177.429 176.600 0.008 0.000 1.032 293 K CA 0.185 56.469 56.287 -0.005 0.000 0.958 293 K CB 0.603 33.099 32.500 -0.005 0.000 0.978 293 K HN 0.557 nan 8.250 nan 0.000 0.472 294 A N 3.299 126.115 122.820 -0.007 0.000 2.401 294 A HA 0.228 4.576 4.320 0.047 0.000 0.259 294 A C 0.774 178.349 177.584 -0.015 0.000 1.103 294 A CA -0.389 51.639 52.037 -0.016 0.000 0.789 294 A CB 0.468 19.442 19.000 -0.043 0.000 1.035 294 A HN 0.723 nan 8.150 nan 0.000 0.491 295 V N 0.595 120.498 119.914 -0.018 0.000 3.484 295 V HA 0.468 4.616 4.120 0.047 0.000 0.252 295 V C 0.320 176.363 176.094 -0.085 0.000 1.282 295 V CA 0.246 62.523 62.300 -0.038 0.000 1.104 295 V CB -0.934 30.878 31.823 -0.017 0.000 0.868 295 V HN 0.578 nan 8.190 nan 0.000 0.457 296 L N 0.607 121.767 121.223 -0.105 0.000 2.415 296 L HA 0.775 5.143 4.340 0.047 0.000 0.256 296 L C -1.060 175.701 176.870 -0.181 0.000 1.010 296 L CA -0.344 54.431 54.840 -0.108 0.000 0.826 296 L CB 2.448 44.443 42.059 -0.107 0.000 1.405 296 L HN 0.302 nan 8.230 nan 0.000 0.410 297 Q N 1.162 120.771 119.800 -0.318 0.000 2.617 297 Q HA 0.373 4.741 4.340 0.047 0.000 0.270 297 Q C -2.361 173.274 176.000 -0.608 0.000 0.967 297 Q CA -0.473 54.964 55.803 -0.611 0.000 0.887 297 Q CB 2.749 31.292 28.738 -0.324 0.000 1.516 297 Q HN 0.616 nan 8.270 nan 0.000 0.395 298 D N 0.166 120.073 120.400 -0.822 0.000 2.710 298 D HA 0.811 5.479 4.640 0.047 0.000 0.276 298 D C -2.083 174.121 176.300 -0.159 0.000 1.267 298 D CA 0.278 54.074 54.000 -0.340 0.000 0.772 298 D CB 2.332 43.077 40.800 -0.092 0.000 1.299 298 D HN 0.665 nan 8.370 nan 0.000 0.421 299 A N 1.008 123.905 122.820 0.129 0.000 2.566 299 A HA 0.644 4.992 4.320 0.047 0.000 0.297 299 A C -1.762 175.925 177.584 0.172 0.000 1.059 299 A CA -0.584 51.573 52.037 0.200 0.000 0.691 299 A CB 1.128 20.159 19.000 0.051 0.000 1.282 299 A HN 0.315 nan 8.150 nan 0.000 0.401 300 I N 1.400 122.039 120.570 0.114 0.000 2.608 300 I HA 0.342 4.540 4.170 0.047 0.000 0.295 300 I C -0.078 176.011 176.117 -0.047 0.000 1.049 300 I CA -0.644 60.620 61.300 -0.059 0.000 1.063 300 I CB 1.775 39.591 38.000 -0.307 0.000 1.248 300 I HN 0.808 nan 8.210 nan 0.000 0.424 301 N N 5.717 124.386 118.700 -0.052 0.000 2.515 301 N HA 0.748 5.516 4.740 0.047 0.000 0.279 301 N C -0.728 174.748 175.510 -0.057 0.000 1.164 301 N CA -0.518 52.509 53.050 -0.039 0.000 0.982 301 N CB 1.879 40.349 38.487 -0.029 0.000 1.170 301 N HN 0.509 nan 8.380 nan 0.000 0.474 302 I N -2.341 118.204 120.570 -0.043 0.000 2.841 302 I HA 0.535 4.733 4.170 0.047 0.000 0.298 302 I C -1.348 174.750 176.117 -0.032 0.000 1.304 302 I CA -0.902 60.370 61.300 -0.047 0.000 1.019 302 I CB 2.397 40.362 38.000 -0.058 0.000 1.282 302 I HN 0.443 nan 8.210 nan 0.000 0.432 303 K N 3.247 123.629 120.400 -0.030 0.000 2.579 303 K HA 0.465 4.814 4.320 0.047 0.000 0.283 303 K C -2.013 174.575 176.600 -0.020 0.000 1.069 303 K CA -0.060 56.214 56.287 -0.022 0.000 0.977 303 K CB 1.754 34.244 32.500 -0.016 0.000 1.334 303 K HN 0.928 nan 8.250 nan 0.000 0.462 304 S N 2.149 117.837 115.700 -0.020 0.000 2.627 304 S HA 0.508 5.007 4.470 0.047 0.000 0.283 304 S C 0.143 174.734 174.600 -0.015 0.000 1.127 304 S CA -0.713 57.477 58.200 -0.017 0.000 0.863 304 S CB 1.624 64.813 63.200 -0.019 0.000 1.121 304 S HN 0.637 nan 8.310 nan 0.000 0.479 305 R N 1.110 121.603 120.500 -0.012 0.000 2.297 305 R HA 0.194 4.562 4.340 0.047 0.000 0.197 305 R C 1.023 177.317 176.300 -0.011 0.000 0.943 305 R CA 0.425 56.519 56.100 -0.009 0.000 1.038 305 R CB -0.606 29.690 30.300 -0.007 0.000 0.957 305 R HN 0.634 nan 8.270 nan 0.000 0.484 306 G N 0.476 109.267 108.800 -0.014 0.000 2.372 306 G HA2 0.288 4.276 3.960 0.047 0.000 0.283 306 G HA3 0.288 4.276 3.960 0.047 0.000 0.283 306 G C 0.644 175.529 174.900 -0.024 0.000 1.177 306 G CA -0.586 44.504 45.100 -0.016 0.000 0.842 306 G HN 0.138 nan 8.290 nan 0.000 0.503 307 L N 1.327 122.535 121.223 -0.025 0.000 2.675 307 L HA 0.166 4.534 4.340 0.047 0.000 0.239 307 L C 1.218 178.052 176.870 -0.060 0.000 1.151 307 L CA 0.323 55.142 54.840 -0.036 0.000 0.905 307 L CB -0.199 41.848 42.059 -0.020 0.000 1.057 307 L HN 0.416 nan 8.230 nan 0.000 0.435 308 S N 0.275 115.945 115.700 -0.049 0.000 2.614 308 S HA 0.459 4.957 4.470 0.047 0.000 0.275 308 S C -1.085 173.501 174.600 -0.022 0.000 1.161 308 S CA -0.744 57.426 58.200 -0.051 0.000 0.969 308 S CB 0.990 64.168 63.200 -0.036 0.000 1.059 308 S HN 0.142 nan 8.310 nan 0.000 0.482 309 N N 3.018 121.707 118.700 -0.018 0.000 2.352 309 N HA 0.408 5.176 4.740 0.047 0.000 0.291 309 N C -1.848 173.707 175.510 0.075 0.000 1.040 309 N CA -0.372 52.686 53.050 0.013 0.000 0.864 309 N CB 1.664 40.133 38.487 -0.030 0.000 1.440 309 N HN 0.574 nan 8.380 nan 0.000 0.483 310 F N 3.029 122.939 119.950 -0.065 0.000 2.385 310 F HA 0.548 5.104 4.527 0.047 0.000 0.360 310 F C -0.918 174.831 175.800 -0.084 0.000 1.122 310 F CA -0.872 57.092 58.000 -0.060 0.000 1.090 310 F CB 0.476 39.447 39.000 -0.049 0.000 1.150 310 F HN 0.283 nan 8.300 nan 0.000 0.472 311 I N 6.330 126.502 120.570 -0.663 0.000 2.382 311 I HA 0.498 4.696 4.170 0.047 0.000 0.285 311 I C -0.375 175.206 176.117 -0.894 0.000 1.007 311 I CA -0.467 60.420 61.300 -0.688 0.000 1.142 311 I CB 1.532 39.235 38.000 -0.495 0.000 1.289 311 I HN 0.706 nan 8.210 nan 0.000 0.453 312 A N 6.739 129.061 122.820 -0.832 0.000 2.258 312 A HA 0.743 5.091 4.320 0.047 0.000 0.316 312 A C -0.560 176.821 177.584 -0.338 0.000 1.279 312 A CA -0.367 51.352 52.037 -0.530 0.000 0.876 312 A CB 0.021 18.802 19.000 -0.365 0.000 1.170 312 A HN 0.455 nan 8.150 nan 0.000 0.520 313 F N 1.070 120.943 119.950 -0.129 0.000 2.403 313 F HA 0.196 4.751 4.527 0.047 0.000 0.320 313 F C 0.812 176.614 175.800 0.002 0.000 1.176 313 F CA 0.268 58.260 58.000 -0.014 0.000 1.206 313 F CB 0.687 39.742 39.000 0.092 0.000 1.235 313 F HN 0.503 nan 8.300 nan 0.000 0.565 314 D N 0.961 121.520 120.400 0.266 0.000 2.382 314 D HA 0.002 4.670 4.640 0.047 0.000 0.245 314 D C -0.087 176.322 176.300 0.181 0.000 1.120 314 D CA -0.105 53.993 54.000 0.163 0.000 0.890 314 D CB 0.699 41.581 40.800 0.138 0.000 1.201 314 D HN 0.512 nan 8.370 nan 0.000 0.433 315 E N 1.997 122.266 120.200 0.115 0.000 2.415 315 E HA -0.017 4.361 4.350 0.047 0.000 0.263 315 E C -0.514 176.171 176.600 0.143 0.000 0.995 315 E CA -0.091 56.375 56.400 0.109 0.000 0.915 315 E CB 0.448 30.187 29.700 0.065 0.000 0.951 315 E HN 0.072 nan 8.360 nan 0.000 0.449 316 K N 3.517 124.039 120.400 0.203 0.000 2.281 316 K HA 0.484 4.832 4.320 0.047 0.000 0.242 316 K C -0.688 175.999 176.600 0.146 0.000 0.971 316 K CA -0.769 55.626 56.287 0.179 0.000 0.834 316 K CB 1.859 34.498 32.500 0.231 0.000 1.181 316 K HN 0.442 nan 8.250 nan 0.000 0.435 317 K N 1.394 121.833 120.400 0.065 0.000 2.375 317 K HA 0.549 4.897 4.320 0.047 0.000 0.249 317 K C -0.626 175.936 176.600 -0.064 0.000 0.942 317 K CA -0.908 55.387 56.287 0.013 0.000 0.806 317 K CB 1.742 34.245 32.500 0.006 0.000 1.227 317 K HN 0.311 nan 8.250 nan 0.000 0.430 318 I N 2.092 122.572 120.570 -0.150 0.000 2.439 318 I HA 0.260 4.458 4.170 0.047 0.000 0.285 318 I C 0.060 176.069 176.117 -0.179 0.000 1.021 318 I CA -0.745 60.424 61.300 -0.219 0.000 1.091 318 I CB 1.271 39.008 38.000 -0.440 0.000 1.242 318 I HN 0.700 nan 8.210 nan 0.000 0.439 319 A N 5.918 128.671 122.820 -0.112 0.000 2.425 319 A HA 0.360 4.709 4.320 0.047 0.000 0.249 319 A C 0.819 178.357 177.584 -0.076 0.000 1.084 319 A CA -0.027 51.963 52.037 -0.077 0.000 0.781 319 A CB 0.107 19.077 19.000 -0.049 0.000 1.019 319 A HN 0.782 nan 8.150 nan 0.000 0.490 320 E N -0.234 119.933 120.200 -0.055 0.000 2.403 320 E HA -0.176 4.202 4.350 0.047 0.000 0.241 320 E C 0.221 176.794 176.600 -0.045 0.000 1.201 320 E CA 1.039 57.418 56.400 -0.035 0.000 0.721 320 E CB -2.465 27.222 29.700 -0.021 0.000 1.245 320 E HN 0.757 nan 8.360 nan 0.000 0.392 321 V N 1.033 120.881 119.914 -0.109 0.000 2.814 321 V HA -0.091 4.057 4.120 0.047 0.000 0.307 321 V C 0.869 176.972 176.094 0.014 0.000 1.089 321 V CA 0.228 62.440 62.300 -0.147 0.000 1.212 321 V CB 0.569 32.074 31.823 -0.529 0.000 0.912 321 V HN 0.059 nan 8.190 nan 0.000 0.497 322 K N 6.323 126.828 120.400 0.175 0.000 2.382 322 K HA 0.303 4.651 4.320 0.047 0.000 0.286 322 K C 0.229 176.988 176.600 0.264 0.000 1.062 322 K CA 0.462 56.851 56.287 0.171 0.000 1.000 322 K CB 0.345 32.905 32.500 0.100 0.000 0.954 322 K HN 0.819 nan 8.250 nan 0.000 0.470 323 A N 3.553 126.471 122.820 0.165 0.000 2.351 323 A HA 0.281 4.630 4.320 0.047 0.000 0.257 323 A C -0.686 177.014 177.584 0.193 0.000 1.087 323 A CA -0.529 51.629 52.037 0.201 0.000 0.798 323 A CB 0.315 19.365 19.000 0.084 0.000 1.033 323 A HN 0.796 nan 8.150 nan 0.000 0.488 324 W N 2.581 123.918 121.300 0.062 0.000 2.520 324 W HA 0.552 5.240 4.660 0.047 0.000 0.323 324 W C -0.412 176.055 176.519 -0.086 0.000 1.062 324 W CA -0.057 57.295 57.345 0.012 0.000 1.215 324 W CB 1.217 30.710 29.460 0.055 0.000 1.340 324 W HN 0.977 nan 8.180 nan 0.000 0.516 325 N N 2.691 120.784 118.700 -1.011 0.000 3.185 325 N HA 0.439 5.207 4.740 0.047 0.000 0.238 325 N C -0.092 174.610 175.510 -1.346 0.000 1.451 325 N CA -0.290 52.167 53.050 -0.988 0.000 0.888 325 N CB 0.695 38.719 38.487 -0.771 0.000 1.413 325 N HN 0.395 nan 8.380 nan 0.000 0.511 326 A N -0.017 122.154 122.820 -1.082 0.000 1.948 326 A HA -0.200 4.148 4.320 0.047 0.000 0.220 326 A C 1.561 178.811 177.584 -0.558 0.000 1.177 326 A CA 1.926 53.395 52.037 -0.945 0.000 0.636 326 A CB -0.911 17.463 19.000 -1.043 0.000 0.815 326 A HN 0.800 nan 8.150 nan 0.000 0.449 327 E N -1.367 118.580 120.200 -0.421 0.000 2.112 327 E HA -0.050 4.328 4.350 0.047 0.000 0.190 327 E C -0.123 176.047 176.600 -0.718 0.000 0.979 327 E CA 0.791 56.898 56.400 -0.488 0.000 0.814 327 E CB 0.054 29.482 29.700 -0.453 0.000 0.762 327 E HN 0.694 nan 8.360 nan 0.000 0.460 328 H N -0.160 118.727 119.070 -0.304 0.000 2.607 328 H HA 0.156 4.741 4.556 0.047 0.000 0.248 328 H C -2.381 172.673 175.328 -0.456 0.000 1.355 328 H CA -2.234 53.643 56.048 -0.286 0.000 1.524 328 H CB 0.796 30.443 29.762 -0.191 0.000 1.563 328 H HN 0.063 nan 8.280 nan 0.000 0.509 329 P HA 0.047 nan 4.420 nan 0.000 0.230 329 P C -0.421 176.849 177.300 -0.050 0.000 1.791 329 P CA -0.338 62.364 63.100 -0.663 0.000 1.020 329 P CB -0.684 30.780 31.700 -0.394 0.000 1.977 330 N N 1.772 120.483 118.700 0.019 0.000 2.452 330 N HA 0.168 4.936 4.740 0.047 0.000 0.266 330 N C -0.127 175.534 175.510 0.252 0.000 1.209 330 N CA 0.007 53.111 53.050 0.090 0.000 0.929 330 N CB 0.373 38.894 38.487 0.056 0.000 1.063 330 N HN 0.294 nan 8.380 nan 0.000 0.472 331 L N 2.741 124.029 121.223 0.108 0.000 2.365 331 L HA 0.479 4.847 4.340 0.047 0.000 0.273 331 L C -0.703 176.145 176.870 -0.036 0.000 1.000 331 L CA -0.908 54.008 54.840 0.126 0.000 0.819 331 L CB 1.019 43.137 42.059 0.099 0.000 1.284 331 L HN 0.476 nan 8.230 nan 0.000 0.418 332 Y N 0.220 120.575 120.300 0.091 0.000 2.519 332 Y HA 0.471 5.049 4.550 0.047 0.000 0.324 332 Y C 0.374 176.283 175.900 0.014 0.000 1.214 332 Y CA -0.427 57.711 58.100 0.064 0.000 1.260 332 Y CB 2.105 40.639 38.460 0.123 0.000 1.311 332 Y HN 0.355 nan 8.280 nan 0.000 0.505 333 T N 3.018 117.662 114.554 0.150 0.000 2.809 333 T HA 0.320 4.698 4.350 0.047 0.000 0.284 333 T C -1.423 173.300 174.700 0.039 0.000 0.992 333 T CA -0.552 61.583 62.100 0.059 0.000 0.957 333 T CB 0.759 69.633 68.868 0.009 0.000 0.942 333 T HN 0.301 nan 8.240 nan 0.000 0.439 334 L N 5.620 126.854 121.223 0.017 0.000 2.260 334 L HA 0.581 4.949 4.340 0.047 0.000 0.289 334 L C -0.836 176.008 176.870 -0.044 0.000 1.057 334 L CA -0.217 54.616 54.840 -0.012 0.000 0.811 334 L CB 0.540 42.595 42.059 -0.007 0.000 1.184 334 L HN 0.423 nan 8.230 nan 0.000 0.429 335 V N 7.091 126.987 119.914 -0.030 0.000 2.334 335 V HA 0.398 4.546 4.120 0.047 0.000 0.281 335 V C 0.077 176.150 176.094 -0.035 0.000 1.016 335 V CA -0.546 61.728 62.300 -0.043 0.000 0.832 335 V CB 1.291 33.095 31.823 -0.031 0.000 0.999 335 V HN 0.581 nan 8.190 nan 0.000 0.439 336 L N 5.009 126.192 121.223 -0.068 0.000 2.295 336 L HA 0.640 5.008 4.340 0.047 0.000 0.285 336 L C -0.031 176.837 176.870 -0.003 0.000 1.035 336 L CA -0.338 54.466 54.840 -0.060 0.000 0.806 336 L CB 1.663 43.617 42.059 -0.175 0.000 1.214 336 L HN 0.611 nan 8.230 nan 0.000 0.426 337 E N 2.977 123.188 120.200 0.019 0.000 2.246 337 E HA 0.394 4.773 4.350 0.047 0.000 0.266 337 E C -1.448 175.178 176.600 0.043 0.000 0.880 337 E CA -0.846 55.574 56.400 0.034 0.000 0.762 337 E CB 3.031 32.746 29.700 0.026 0.000 1.180 337 E HN 0.218 nan 8.360 nan 0.000 0.416 338 L N 3.316 124.565 121.223 0.043 0.000 2.289 338 L HA 0.416 4.785 4.340 0.047 0.000 0.285 338 L C -1.030 175.860 176.870 0.033 0.000 1.049 338 L CA -0.017 54.847 54.840 0.039 0.000 0.804 338 L CB 0.539 42.619 42.059 0.036 0.000 1.195 338 L HN 0.397 nan 8.230 nan 0.000 0.428 339 K N 3.447 123.864 120.400 0.029 0.000 2.318 339 K HA 0.446 4.794 4.320 0.047 0.000 0.249 339 K C -0.960 175.652 176.600 0.019 0.000 0.942 339 K CA -1.006 55.296 56.287 0.025 0.000 0.808 339 K CB 1.589 34.102 32.500 0.023 0.000 1.189 339 K HN 0.530 nan 8.250 nan 0.000 0.428 340 D N 0.414 120.827 120.400 0.020 0.000 2.380 340 D HA 0.043 4.711 4.640 0.047 0.000 0.254 340 D C 1.138 177.446 176.300 0.013 0.000 1.288 340 D CA 0.043 54.053 54.000 0.017 0.000 1.008 340 D CB 0.671 41.483 40.800 0.021 0.000 1.099 340 D HN 0.628 nan 8.370 nan 0.000 0.537 341 A N 0.000 122.827 122.820 0.012 0.000 2.015 341 A HA -0.179 4.169 4.320 0.047 0.000 0.219 341 A C 1.662 179.252 177.584 0.010 0.000 1.163 341 A CA 1.413 53.455 52.037 0.008 0.000 0.646 341 A CB -0.253 18.752 19.000 0.008 0.000 0.806 341 A HN 0.376 nan 8.150 nan 0.000 0.448 342 Q N -1.303 118.505 119.800 0.013 0.000 2.365 342 Q HA 0.344 4.713 4.340 0.047 0.000 0.203 342 Q C 1.088 177.096 176.000 0.014 0.000 0.929 342 Q CA 0.684 56.495 55.803 0.013 0.000 0.948 342 Q CB 0.123 28.871 28.738 0.016 0.000 1.043 342 Q HN 0.827 nan 8.270 nan 0.000 0.505 343 G N 0.934 109.742 108.800 0.014 0.000 2.148 343 G HA2 -0.365 3.623 3.960 0.047 0.000 0.254 343 G HA3 -0.365 3.623 3.960 0.047 0.000 0.254 343 G C 0.056 174.967 174.900 0.019 0.000 0.981 343 G CA 0.376 45.484 45.100 0.014 0.000 0.670 343 G HN 0.302 nan 8.290 nan 0.000 0.528 344 K N 0.857 121.271 120.400 0.023 0.000 2.258 344 K HA 0.506 4.855 4.320 0.047 0.000 0.284 344 K C 0.780 177.400 176.600 0.034 0.000 1.051 344 K CA -0.696 55.608 56.287 0.030 0.000 0.923 344 K CB 0.811 33.331 32.500 0.033 0.000 1.046 344 K HN 0.029 nan 8.250 nan 0.000 0.474 345 V N 4.653 124.590 119.914 0.039 0.000 2.540 345 V HA -0.063 4.086 4.120 0.047 0.000 0.297 345 V C 1.553 177.675 176.094 0.047 0.000 1.024 345 V CA 0.577 62.904 62.300 0.044 0.000 1.105 345 V CB 0.707 32.562 31.823 0.053 0.000 0.938 345 V HN 1.077 nan 8.190 nan 0.000 0.482 346 T N 0.830 115.406 114.554 0.037 0.000 3.023 346 T HA 0.205 4.583 4.350 0.047 0.000 0.249 346 T C 0.402 175.102 174.700 0.000 0.000 1.050 346 T CA 0.237 62.352 62.100 0.024 0.000 1.088 346 T CB 0.416 69.296 68.868 0.021 0.000 0.946 346 T HN 0.668 nan 8.240 nan 0.000 0.480 347 E N -0.165 120.046 120.200 0.019 0.000 2.321 347 E HA 0.539 4.917 4.350 0.047 0.000 0.278 347 E C -2.283 174.356 176.600 0.065 0.000 0.902 347 E CA -1.017 55.392 56.400 0.015 0.000 0.758 347 E CB 2.146 31.858 29.700 0.021 0.000 1.213 347 E HN 0.187 nan 8.360 nan 0.000 0.426 348 L N 3.248 124.536 121.223 0.109 0.000 2.362 348 L HA 0.792 5.160 4.340 0.047 0.000 0.275 348 L C -1.071 175.946 176.870 0.245 0.000 0.998 348 L CA 0.124 55.054 54.840 0.150 0.000 0.820 348 L CB 2.045 44.208 42.059 0.173 0.000 1.270 348 L HN 0.661 nan 8.230 nan 0.000 0.415 349 T N 2.210 116.877 114.554 0.189 0.000 2.700 349 T HA 0.834 5.212 4.350 0.047 0.000 0.307 349 T C -0.834 173.913 174.700 0.079 0.000 1.580 349 T CA 0.040 62.313 62.100 0.289 0.000 0.992 349 T CB 1.008 70.081 68.868 0.342 0.000 1.577 349 T HN 1.304 nan 8.240 nan 0.000 0.496 350 G N -0.340 108.536 108.800 0.126 0.000 2.336 350 G HA2 0.546 4.535 3.960 0.047 0.000 0.286 350 G HA3 0.546 4.535 3.960 0.047 0.000 0.286 350 G C -0.822 174.180 174.900 0.170 0.000 1.269 350 G CA 0.298 45.417 45.100 0.031 0.000 0.873 350 G HN 1.977 nan 8.290 nan 0.000 0.494 351 C N -2.089 117.277 119.300 0.110 0.000 3.295 351 C HA 0.840 5.328 4.460 0.047 0.000 0.341 351 C C -1.012 174.013 174.990 0.058 0.000 1.418 351 C CA -1.021 58.074 59.018 0.128 0.000 1.240 351 C CB 1.316 29.150 27.740 0.155 0.000 1.562 351 C HN 0.882 nan 8.230 nan 0.000 0.457 352 E N 0.642 120.868 120.200 0.044 0.000 2.331 352 E HA 0.561 4.939 4.350 0.047 0.000 0.272 352 E C -0.704 175.885 176.600 -0.017 0.000 1.036 352 E CA -0.075 56.337 56.400 0.020 0.000 0.864 352 E CB 1.729 31.439 29.700 0.016 0.000 1.035 352 E HN 0.587 nan 8.360 nan 0.000 0.408 353 V N 1.236 121.158 119.914 0.013 0.000 2.540 353 V HA 0.607 4.755 4.120 0.047 0.000 0.302 353 V C 0.271 176.349 176.094 -0.028 0.000 1.035 353 V CA -0.809 61.460 62.300 -0.052 0.000 0.873 353 V CB 2.067 33.878 31.823 -0.019 0.000 0.992 353 V HN 0.706 nan 8.190 nan 0.000 0.428 354 G N 3.217 111.893 108.800 -0.207 0.000 2.644 354 G HA2 0.622 4.611 3.960 0.047 0.000 0.300 354 G HA3 0.622 4.611 3.960 0.047 0.000 0.300 354 G C -1.080 173.769 174.900 -0.085 0.000 1.395 354 G CA -0.397 44.642 45.100 -0.102 0.000 0.964 354 G HN 0.412 nan 8.290 nan 0.000 0.511 355 F N 4.044 124.115 119.950 0.202 0.000 2.471 355 F HA 0.562 5.117 4.527 0.047 0.000 0.365 355 F C 1.096 177.004 175.800 0.179 0.000 1.095 355 F CA 0.070 58.160 58.000 0.150 0.000 1.174 355 F CB 0.866 39.942 39.000 0.126 0.000 1.105 355 F HN 0.534 nan 8.300 nan 0.000 0.535 356 R N 1.081 121.733 120.500 0.253 0.000 2.765 356 R HA 0.390 4.758 4.340 0.047 0.000 0.277 356 R C -1.813 174.582 176.300 0.159 0.000 1.028 356 R CA -0.761 55.473 56.100 0.224 0.000 0.860 356 R CB 0.619 31.091 30.300 0.287 0.000 1.270 356 R HN 0.522 nan 8.270 nan 0.000 0.484 357 T N -1.744 112.900 114.554 0.149 0.000 2.885 357 T HA 0.663 5.041 4.350 0.047 0.000 0.285 357 T C -0.727 174.002 174.700 0.047 0.000 1.019 357 T CA -0.763 61.413 62.100 0.126 0.000 1.010 357 T CB 1.708 70.712 68.868 0.227 0.000 1.022 357 T HN 0.595 nan 8.240 nan 0.000 0.466 358 S N 1.547 117.273 115.700 0.044 0.000 2.779 358 S HA 0.559 5.057 4.470 0.047 0.000 0.293 358 S C -1.020 173.626 174.600 0.077 0.000 1.150 358 S CA -0.650 57.559 58.200 0.014 0.000 1.057 358 S CB 0.247 63.501 63.200 0.089 0.000 1.021 358 S HN 1.000 nan 8.310 nan 0.000 0.485 359 E N 3.891 124.113 120.200 0.038 0.000 2.445 359 E HA 0.443 4.821 4.350 0.047 0.000 0.279 359 E C -1.422 175.273 176.600 0.158 0.000 1.018 359 E CA -1.116 55.358 56.400 0.123 0.000 0.816 359 E CB 0.699 30.467 29.700 0.113 0.000 1.356 359 E HN 0.372 nan 8.360 nan 0.000 0.462 360 I N 1.790 122.475 120.570 0.191 0.000 2.337 360 I HA 0.313 4.511 4.170 0.047 0.000 0.285 360 I C -0.245 175.966 176.117 0.157 0.000 1.041 360 I CA -0.419 61.002 61.300 0.203 0.000 1.199 360 I CB 0.477 38.607 38.000 0.216 0.000 1.370 360 I HN 0.535 nan 8.210 nan 0.000 0.470 361 K N 6.406 126.881 120.400 0.126 0.000 2.274 361 K HA 0.251 4.599 4.320 0.047 0.000 0.262 361 K C -0.364 176.302 176.600 0.111 0.000 0.961 361 K CA -0.297 56.059 56.287 0.115 0.000 0.833 361 K CB 0.939 33.499 32.500 0.099 0.000 1.102 361 K HN 0.467 nan 8.250 nan 0.000 0.436 362 D N 3.527 123.994 120.400 0.112 0.000 2.772 362 D HA -0.194 4.474 4.640 0.047 0.000 0.233 362 D C 0.579 176.948 176.300 0.114 0.000 1.143 362 D CA 1.577 55.639 54.000 0.103 0.000 0.700 362 D CB -1.201 39.650 40.800 0.086 0.000 1.076 362 D HN 1.108 nan 8.370 nan 0.000 0.430 363 G N -0.377 108.508 108.800 0.142 0.000 2.162 363 G HA2 -0.357 3.632 3.960 0.047 0.000 0.260 363 G HA3 -0.357 3.632 3.960 0.047 0.000 0.260 363 G C 0.237 175.223 174.900 0.143 0.000 0.976 363 G CA 0.535 45.724 45.100 0.147 0.000 0.655 363 G HN 0.483 nan 8.290 nan 0.000 0.533 364 R N -0.779 119.805 120.500 0.140 0.000 2.621 364 R HA 0.483 4.851 4.340 0.047 0.000 0.292 364 R C -0.761 175.644 176.300 0.176 0.000 0.969 364 R CA -0.983 55.205 56.100 0.147 0.000 0.887 364 R CB 1.481 31.845 30.300 0.107 0.000 1.180 364 R HN 0.156 nan 8.270 nan 0.000 0.450 365 F N 2.986 122.958 119.950 0.036 0.000 2.506 365 F HA 0.164 4.720 4.527 0.047 0.000 0.371 365 F C -0.606 175.196 175.800 0.002 0.000 1.078 365 F CA -0.502 57.506 58.000 0.014 0.000 1.195 365 F CB 0.385 39.377 39.000 -0.014 0.000 1.099 365 F HN 0.371 nan 8.300 nan 0.000 0.548 366 C N 7.829 126.811 119.300 -0.531 0.000 2.482 366 C HA 0.538 5.026 4.460 0.047 0.000 0.317 366 C C -0.476 174.156 174.990 -0.597 0.000 1.197 366 C CA -1.160 57.564 59.018 -0.489 0.000 1.432 366 C CB 0.908 28.513 27.740 -0.224 0.000 2.062 366 C HN 0.520 nan 8.230 nan 0.000 0.471 367 I N 3.178 123.471 120.570 -0.461 0.000 2.321 367 I HA 0.261 4.459 4.170 0.047 0.000 0.291 367 I C 0.744 176.847 176.117 -0.024 0.000 0.998 367 I CA 0.189 61.346 61.300 -0.237 0.000 1.227 367 I CB 0.329 38.259 38.000 -0.118 0.000 1.368 367 I HN 0.906 nan 8.210 nan 0.000 0.466 368 N N 4.844 123.489 118.700 -0.092 0.000 2.727 368 N HA -0.244 4.524 4.740 0.047 0.000 0.249 368 N C 1.067 176.212 175.510 -0.609 0.000 1.048 368 N CA 0.452 53.414 53.050 -0.147 0.000 0.714 368 N CB -0.736 37.767 38.487 0.027 0.000 0.959 368 N HN 1.120 nan 8.380 nan 0.000 0.544 369 G N -2.153 106.036 108.800 -1.020 0.000 2.205 369 G HA2 -0.336 3.653 3.960 0.047 0.000 0.261 369 G HA3 -0.336 3.653 3.960 0.047 0.000 0.261 369 G C 0.121 174.786 174.900 -0.392 0.000 0.980 369 G CA 0.398 44.806 45.100 -1.155 0.000 0.632 369 G HN 0.399 nan 8.290 nan 0.000 0.533 370 V N 1.722 121.493 119.914 -0.240 0.000 2.427 370 V HA 0.520 4.668 4.120 0.047 0.000 0.286 370 V C -2.022 173.999 176.094 -0.122 0.000 1.034 370 V CA -1.862 60.340 62.300 -0.164 0.000 0.893 370 V CB 1.903 33.547 31.823 -0.299 0.000 0.982 370 V HN 0.064 nan 8.190 nan 0.000 0.452 371 P HA 0.232 nan 4.420 nan 0.000 0.276 371 P C -0.681 176.662 177.300 0.071 0.000 1.253 371 P CA 0.054 63.165 63.100 0.019 0.000 0.766 371 P CB 0.802 32.548 31.700 0.077 0.000 0.845 372 V N 2.473 122.395 119.914 0.012 0.000 2.715 372 V HA 0.502 4.650 4.120 0.047 0.000 0.310 372 V C -0.465 175.707 176.094 0.131 0.000 1.054 372 V CA -1.089 61.260 62.300 0.080 0.000 0.928 372 V CB 1.642 33.476 31.823 0.019 0.000 1.007 372 V HN 0.225 nan 8.190 nan 0.000 0.437 373 L N 3.969 125.271 121.223 0.131 0.000 2.319 373 L HA 0.412 4.780 4.340 0.047 0.000 0.280 373 L C -0.201 176.732 176.870 0.104 0.000 1.099 373 L CA -0.516 54.387 54.840 0.105 0.000 0.828 373 L CB 1.598 43.731 42.059 0.123 0.000 1.150 373 L HN 0.574 nan 8.230 nan 0.000 0.442 374 V N 4.691 124.634 119.914 0.048 0.000 2.372 374 V HA 0.127 4.275 4.120 0.047 0.000 0.261 374 V C 0.287 176.377 176.094 -0.005 0.000 1.055 374 V CA -0.402 61.909 62.300 0.017 0.000 0.930 374 V CB 0.550 32.326 31.823 -0.079 0.000 1.031 374 V HN 0.647 nan 8.190 nan 0.000 0.479 375 K N 4.464 124.747 120.400 -0.196 0.000 2.459 375 K HA 0.525 4.873 4.320 0.047 0.000 0.218 375 K C 0.498 176.827 176.600 -0.451 0.000 1.067 375 K CA -0.167 55.636 56.287 -0.807 0.000 1.045 375 K CB 1.416 33.045 32.500 -1.450 0.000 1.623 375 K HN 0.815 nan 8.250 nan 0.000 0.509 376 G N -0.118 108.668 108.800 -0.022 0.000 2.820 376 G HA2 0.538 4.526 3.960 0.047 0.000 0.291 376 G HA3 0.538 4.526 3.960 0.047 0.000 0.291 376 G C -0.967 174.085 174.900 0.253 0.000 1.323 376 G CA -0.334 44.834 45.100 0.114 0.000 1.055 376 G HN 0.209 nan 8.290 nan 0.000 0.520 377 T N -0.732 113.916 114.554 0.156 0.000 2.894 377 T HA 0.419 4.797 4.350 0.047 0.000 0.309 377 T C -1.136 173.592 174.700 0.046 0.000 1.208 377 T CA -0.807 61.372 62.100 0.131 0.000 1.016 377 T CB 1.397 70.370 68.868 0.175 0.000 1.192 377 T HN 0.399 nan 8.240 nan 0.000 0.491 378 N N 2.292 120.974 118.700 -0.030 0.000 2.515 378 N HA 0.472 5.240 4.740 0.047 0.000 0.279 378 N C -0.517 174.852 175.510 -0.235 0.000 1.164 378 N CA -0.406 52.559 53.050 -0.142 0.000 0.982 378 N CB 1.429 39.786 38.487 -0.218 0.000 1.170 378 N HN 0.548 nan 8.380 nan 0.000 0.474 379 R N 1.479 121.815 120.500 -0.273 0.000 2.510 379 R HA 0.245 4.613 4.340 0.047 0.000 0.287 379 R C -1.399 174.711 176.300 -0.316 0.000 1.084 379 R CA -0.512 55.452 56.100 -0.227 0.000 0.934 379 R CB 0.714 30.893 30.300 -0.202 0.000 1.201 379 R HN 0.640 nan 8.270 nan 0.000 0.431 380 H N 1.188 120.149 119.070 -0.181 0.000 2.488 380 H HA 0.221 4.805 4.556 0.047 0.000 0.347 380 H C -0.437 174.912 175.328 0.035 0.000 1.174 380 H CA -0.138 55.888 56.048 -0.037 0.000 1.307 380 H CB 1.443 31.248 29.762 0.072 0.000 1.517 380 H HN 0.420 nan 8.280 nan 0.000 0.554 381 E N 1.651 122.059 120.200 0.348 0.000 2.152 381 E HA 0.162 4.540 4.350 0.047 0.000 0.285 381 E C -0.952 175.805 176.600 0.261 0.000 1.043 381 E CA -0.105 56.414 56.400 0.199 0.000 0.839 381 E CB 0.777 30.611 29.700 0.224 0.000 1.069 381 E HN 0.459 nan 8.360 nan 0.000 0.399 382 H N 1.141 120.242 119.070 0.053 0.000 3.038 382 H HA 0.414 4.998 4.556 0.047 0.000 0.362 382 H C -1.234 174.085 175.328 -0.015 0.000 1.167 382 H CA -0.409 55.653 56.048 0.023 0.000 1.197 382 H CB 1.390 31.141 29.762 -0.019 0.000 1.840 382 H HN 0.500 nan 8.280 nan 0.000 0.540 383 S N 2.726 118.026 115.700 -0.667 0.000 2.672 383 S HA 0.135 4.633 4.470 0.047 0.000 0.271 383 S C -0.088 174.275 174.600 -0.396 0.000 1.171 383 S CA -0.908 57.053 58.200 -0.398 0.000 0.817 383 S CB 1.537 64.639 63.200 -0.162 0.000 1.150 383 S HN 0.563 nan 8.310 nan 0.000 0.478 384 Q N 0.275 120.008 119.800 -0.113 0.000 2.437 384 Q HA 0.203 4.571 4.340 0.047 0.000 0.210 384 Q C 1.424 177.426 176.000 0.003 0.000 0.972 384 Q CA 0.968 56.811 55.803 0.066 0.000 0.903 384 Q CB -0.693 28.079 28.738 0.056 0.000 0.967 384 Q HN 0.679 nan 8.270 nan 0.000 0.486 385 L N -1.454 119.731 121.223 -0.064 0.000 2.607 385 L HA 0.230 4.599 4.340 0.047 0.000 0.228 385 L C 1.112 177.931 176.870 -0.085 0.000 1.123 385 L CA 0.378 55.161 54.840 -0.095 0.000 0.890 385 L CB -0.069 41.942 42.059 -0.079 0.000 1.103 385 L HN 0.252 nan 8.230 nan 0.000 0.468 386 G N 0.770 109.558 108.800 -0.019 0.000 2.545 386 G HA2 -0.285 3.704 3.960 0.047 0.000 0.211 386 G HA3 -0.285 3.704 3.960 0.047 0.000 0.211 386 G C 0.373 175.286 174.900 0.022 0.000 1.167 386 G CA 0.084 45.216 45.100 0.054 0.000 1.151 386 G HN 0.068 nan 8.290 nan 0.000 0.581 387 R N 1.240 121.774 120.500 0.057 0.000 2.189 387 R HA 0.204 4.573 4.340 0.047 0.000 0.218 387 R C 1.451 177.775 176.300 0.039 0.000 1.074 387 R CA 1.737 57.881 56.100 0.073 0.000 0.991 387 R CB -0.982 29.343 30.300 0.041 0.000 0.883 387 R HN 0.613 nan 8.270 nan 0.000 0.457 388 T N 0.505 115.061 114.554 0.003 0.000 2.853 388 T HA 0.251 4.629 4.350 0.047 0.000 0.298 388 T C -0.572 174.110 174.700 -0.031 0.000 0.978 388 T CA -0.079 62.018 62.100 -0.005 0.000 1.152 388 T CB 1.210 70.063 68.868 -0.025 0.000 0.914 388 T HN -0.150 nan 8.240 nan 0.000 0.539 389 V N 3.779 123.672 119.914 -0.036 0.000 2.531 389 V HA 0.454 4.602 4.120 0.047 0.000 0.301 389 V C 0.421 176.444 176.094 -0.117 0.000 1.034 389 V CA -1.081 61.179 62.300 -0.066 0.000 0.865 389 V CB 2.030 33.819 31.823 -0.056 0.000 0.995 389 V HN 1.079 nan 8.190 nan 0.000 0.424 390 S N 3.895 119.530 115.700 -0.107 0.000 2.614 390 S HA 0.329 4.827 4.470 0.047 0.000 0.265 390 S C 0.867 175.370 174.600 -0.162 0.000 1.303 390 S CA -0.529 57.585 58.200 -0.144 0.000 1.000 390 S CB 1.008 64.148 63.200 -0.100 0.000 0.935 390 S HN 0.678 nan 8.310 nan 0.000 0.551 391 K N 0.709 120.947 120.400 -0.270 0.000 2.097 391 K HA -0.126 4.222 4.320 0.047 0.000 0.206 391 K C 1.883 178.467 176.600 -0.026 0.000 1.049 391 K CA 1.700 57.799 56.287 -0.314 0.000 0.933 391 K CB -0.261 31.883 32.500 -0.594 0.000 0.717 391 K HN 0.614 nan 8.250 nan 0.000 0.442 392 E N 1.006 121.179 120.200 -0.045 0.000 2.077 392 E HA -0.082 4.296 4.350 0.047 0.000 0.193 392 E C 0.905 177.526 176.600 0.035 0.000 0.989 392 E CA 0.758 57.161 56.400 0.005 0.000 0.800 392 E CB -0.159 29.530 29.700 -0.019 0.000 0.746 392 E HN 0.173 nan 8.360 nan 0.000 0.452 396 Q N 1.464 121.329 119.800 0.108 0.000 2.046 396 Q HA -0.178 4.190 4.340 0.047 0.000 0.200 396 Q C 1.112 177.202 176.000 0.151 0.000 0.975 396 Q CA 2.068 57.925 55.803 0.091 0.000 0.836 396 Q CB 0.167 28.954 28.738 0.082 0.000 0.896 396 Q HN 0.093 nan 8.270 nan 0.000 0.428 397 D N 0.707 121.227 120.400 0.201 0.000 2.106 397 D HA -0.191 4.477 4.640 0.047 0.000 0.191 397 D C 1.804 178.133 176.300 0.048 0.000 0.997 397 D CA 0.977 55.103 54.000 0.209 0.000 0.834 397 D CB -0.294 40.538 40.800 0.054 0.000 0.956 397 D HN 0.280 nan 8.370 nan 0.000 0.448 398 I N 1.050 121.731 120.570 0.184 0.000 2.286 398 I HA -0.198 4.000 4.170 0.047 0.000 0.248 398 I C 2.310 178.373 176.117 -0.091 0.000 1.115 398 I CA 1.070 62.389 61.300 0.031 0.000 1.392 398 I CB -0.435 37.565 38.000 -0.002 0.000 1.065 398 I HN -0.018 nan 8.210 nan 0.000 0.418 399 R N 0.279 120.729 120.500 -0.084 0.000 2.070 399 R HA -0.100 4.268 4.340 0.047 0.000 0.233 399 R C 1.335 177.585 176.300 -0.085 0.000 1.137 399 R CA 0.656 56.664 56.100 -0.154 0.000 0.945 399 R CB -0.219 29.991 30.300 -0.150 0.000 0.845 399 R HN 0.232 nan 8.270 nan 0.000 0.430 403 Q N 0.534 120.305 119.800 -0.048 0.000 2.224 403 Q HA -0.080 4.288 4.340 0.047 0.000 0.203 403 Q C 0.443 176.533 176.000 0.150 0.000 0.970 403 Q CA 1.414 57.132 55.803 -0.141 0.000 0.865 403 Q CB -0.108 28.294 28.738 -0.559 0.000 0.922 403 Q HN 0.379 nan 8.270 nan 0.000 0.445 404 H N 0.106 119.321 119.070 0.241 0.000 2.507 404 H HA 0.167 4.751 4.556 0.047 0.000 0.294 404 H C -0.424 175.041 175.328 0.228 0.000 1.064 404 H CA -0.236 55.977 56.048 0.275 0.000 1.138 404 H CB 0.171 30.095 29.762 0.270 0.000 1.515 404 H HN 0.171 nan 8.280 nan 0.000 0.547 405 N N 0.233 119.078 118.700 0.241 0.000 2.747 405 N HA -0.188 4.580 4.740 0.047 0.000 0.249 405 N C -0.667 174.923 175.510 0.133 0.000 1.107 405 N CA 0.581 53.730 53.050 0.164 0.000 0.707 405 N CB -1.628 36.935 38.487 0.126 0.000 1.054 405 N HN 0.451 nan 8.380 nan 0.000 0.555 406 I N 1.195 121.851 120.570 0.143 0.000 2.396 406 I HA 0.160 4.358 4.170 0.047 0.000 0.292 406 I C 0.850 176.942 176.117 -0.042 0.000 0.999 406 I CA -0.597 60.740 61.300 0.061 0.000 1.310 406 I CB 0.932 38.998 38.000 0.110 0.000 1.404 406 I HN 0.156 nan 8.210 nan 0.000 0.496 410 R N 4.729 125.264 120.500 0.058 0.000 2.295 410 R HA 0.508 4.877 4.340 0.047 0.000 0.324 410 R C -0.377 175.916 176.300 -0.013 0.000 0.968 410 R CA -0.619 55.512 56.100 0.051 0.000 0.837 410 R CB 0.978 31.315 30.300 0.062 0.000 1.133 410 R HN 0.791 nan 8.270 nan 0.000 0.450 411 N N 2.592 121.298 118.700 0.011 0.000 2.744 411 N HA -0.023 4.745 4.740 0.047 0.000 0.290 411 N C -0.742 174.578 175.510 -0.318 0.000 1.206 411 N CA 0.380 53.368 53.050 -0.105 0.000 1.119 411 N CB 0.683 39.196 38.487 0.044 0.000 1.449 411 N HN 0.479 nan 8.380 nan 0.000 0.514 412 S N 2.930 118.322 115.700 -0.512 0.000 3.238 412 S HA -0.171 4.327 4.470 0.047 0.000 0.362 412 S C 0.140 174.066 174.600 -1.123 0.000 0.778 412 S CA 0.212 57.859 58.200 -0.922 0.000 2.155 412 S CB -0.916 61.555 63.200 -1.215 0.000 1.157 412 S HN 0.528 nan 8.310 nan 0.000 0.668 413 H N -0.998 117.959 119.070 -0.188 0.000 2.862 413 H HA -0.207 4.377 4.556 0.047 0.000 0.290 413 H C -0.350 175.046 175.328 0.113 0.000 1.211 413 H CA 1.575 57.628 56.048 0.009 0.000 1.140 413 H CB -3.027 26.843 29.762 0.179 0.000 1.341 413 H HN 0.917 nan 8.280 nan 0.000 0.392 414 Y N -6.330 114.126 120.300 0.260 0.000 2.673 414 Y HA 0.515 5.093 4.550 0.047 0.000 0.357 414 Y C -3.296 172.758 175.900 0.257 0.000 1.211 414 Y CA -2.452 55.800 58.100 0.254 0.000 1.307 414 Y CB 0.077 38.685 38.460 0.247 0.000 1.384 414 Y HN -0.176 nan 8.280 nan 0.000 0.499 415 P HA 0.244 nan 4.420 nan 0.000 0.271 415 P C 0.043 177.684 177.300 0.569 0.000 1.218 415 P CA 0.290 63.707 63.100 0.527 0.000 0.780 415 P CB 0.922 32.897 31.700 0.458 0.000 0.901 416 T N -0.929 113.943 114.554 0.530 0.000 2.880 416 T HA 0.215 4.593 4.350 0.047 0.000 0.279 416 T C 0.152 175.165 174.700 0.523 0.000 0.990 416 T CA -0.504 61.844 62.100 0.414 0.000 0.938 416 T CB 0.221 69.176 68.868 0.144 0.000 1.206 416 T HN 0.377 nan 8.240 nan 0.000 0.573 417 H N 1.382 120.663 119.070 0.352 0.000 2.848 417 H HA 0.150 4.734 4.556 0.047 0.000 0.341 417 H C -1.846 173.793 175.328 0.518 0.000 1.060 417 H CA -1.525 54.758 56.048 0.390 0.000 1.444 417 H CB 1.063 31.002 29.762 0.296 0.000 1.446 417 H HN 0.306 nan 8.280 nan 0.000 0.583 418 P HA -0.236 nan 4.420 nan 0.000 0.218 418 P C 1.163 178.863 177.300 0.667 0.000 1.152 418 P CA 1.483 64.891 63.100 0.514 0.000 0.857 418 P CB -0.237 31.524 31.700 0.102 0.000 0.787 419 Y N -1.322 119.390 120.300 0.687 0.000 2.207 419 Y HA -0.213 4.365 4.550 0.047 0.000 0.287 419 Y C 2.368 178.483 175.900 0.357 0.000 1.156 419 Y CA 1.395 59.773 58.100 0.463 0.000 1.182 419 Y CB -0.814 37.855 38.460 0.349 0.000 0.979 419 Y HN 0.075 nan 8.280 nan 0.000 0.521 420 W N -0.250 121.192 121.300 0.236 0.000 2.363 420 W HA -0.329 4.359 4.660 0.047 0.000 0.296 420 W C 1.327 177.732 176.519 -0.191 0.000 1.212 420 W CA 1.820 59.138 57.345 -0.045 0.000 1.260 420 W CB -0.527 28.838 29.460 -0.158 0.000 1.131 420 W HN 0.214 nan 8.180 nan 0.000 0.530 421 Y N 0.902 121.141 120.300 -0.101 0.000 2.242 421 Y HA -0.230 4.348 4.550 0.047 0.000 0.291 421 Y C 2.718 178.386 175.900 -0.387 0.000 1.137 421 Y CA 1.950 59.796 58.100 -0.423 0.000 1.181 421 Y CB -1.095 36.901 38.460 -0.774 0.000 0.989 421 Y HN 0.042 nan 8.280 nan 0.000 0.527 422 Q N -0.027 119.734 119.800 -0.065 0.000 2.124 422 Q HA -0.147 4.221 4.340 0.047 0.000 0.202 422 Q C 2.191 178.040 176.000 -0.251 0.000 0.977 422 Q CA 1.420 57.176 55.803 -0.078 0.000 0.850 422 Q CB -0.261 28.456 28.738 -0.035 0.000 0.901 422 Q HN 0.510 nan 8.270 nan 0.000 0.429 423 L N -0.454 120.550 121.223 -0.365 0.000 2.027 423 L HA -0.208 4.160 4.340 0.047 0.000 0.206 423 L C 2.451 179.131 176.870 -0.317 0.000 1.074 423 L CA 0.754 55.386 54.840 -0.346 0.000 0.745 423 L CB -0.470 41.425 42.059 -0.273 0.000 0.898 423 L HN 0.385 nan 8.230 nan 0.000 0.433 424 C N -0.304 118.729 119.300 -0.445 0.000 2.435 424 C HA -0.140 4.348 4.460 0.047 0.000 0.279 424 C C 2.408 177.362 174.990 -0.059 0.000 1.321 424 C CA 0.367 59.183 59.018 -0.336 0.000 1.752 424 C CB -0.781 26.668 27.740 -0.486 0.000 1.959 424 C HN 0.532 nan 8.230 nan 0.000 0.500 425 D N 0.224 120.578 120.400 -0.076 0.000 2.117 425 D HA -0.113 4.555 4.640 0.047 0.000 0.198 425 D C 2.331 178.715 176.300 0.140 0.000 0.982 425 D CA 1.061 55.082 54.000 0.035 0.000 0.828 425 D CB -0.412 40.365 40.800 -0.037 0.000 0.967 425 D HN 0.497 nan 8.370 nan 0.000 0.464 426 R N -0.687 119.733 120.500 -0.133 0.000 2.073 426 R HA -0.104 4.265 4.340 0.047 0.000 0.229 426 R C 1.461 177.525 176.300 -0.394 0.000 1.120 426 R CA 1.031 56.936 56.100 -0.325 0.000 0.967 426 R CB -0.084 29.833 30.300 -0.640 0.000 0.862 426 R HN 0.171 nan 8.270 nan 0.000 0.436 427 Y N -0.370 119.896 120.300 -0.057 0.000 2.457 427 Y HA 0.365 4.943 4.550 0.047 0.000 0.263 427 Y C 0.558 176.364 175.900 -0.157 0.000 1.164 427 Y CA 0.093 58.128 58.100 -0.109 0.000 1.274 427 Y CB 0.686 39.063 38.460 -0.138 0.000 1.097 427 Y HN 0.292 nan 8.280 nan 0.000 0.523 428 G N 1.501 110.286 108.800 -0.025 0.000 2.788 428 G HA2 -0.086 3.902 3.960 0.047 0.000 0.249 428 G HA3 -0.086 3.902 3.960 0.047 0.000 0.249 428 G C -1.333 173.408 174.900 -0.266 0.000 1.008 428 G CA -0.407 44.549 45.100 -0.239 0.000 1.220 428 G HN 0.161 nan 8.290 nan 0.000 0.506 429 L N 2.378 123.514 121.223 -0.146 0.000 2.516 429 L HA 0.685 5.053 4.340 0.047 0.000 0.267 429 L C -0.025 176.822 176.870 -0.038 0.000 0.957 429 L CA -1.463 53.254 54.840 -0.206 0.000 0.860 429 L CB 1.097 43.036 42.059 -0.200 0.000 1.265 429 L HN 0.428 nan 8.230 nan 0.000 0.403 433 D N 5.011 125.537 120.400 0.211 0.000 2.304 433 D HA 0.383 5.051 4.640 0.047 0.000 0.247 433 D C -0.575 175.983 176.300 0.430 0.000 1.089 433 D CA 0.500 54.734 54.000 0.390 0.000 0.910 433 D CB 1.457 42.601 40.800 0.574 0.000 1.199 433 D HN 0.521 nan 8.370 nan 0.000 0.426 434 E N 0.924 121.351 120.200 0.378 0.000 2.272 434 E HA 0.612 4.990 4.350 0.047 0.000 0.269 434 E C -1.246 175.558 176.600 0.340 0.000 0.877 434 E CA -1.101 55.505 56.400 0.343 0.000 0.755 434 E CB 1.489 31.352 29.700 0.272 0.000 1.192 434 E HN 0.490 nan 8.360 nan 0.000 0.422 435 A N 3.320 126.330 122.820 0.317 0.000 2.445 435 A HA 0.084 4.432 4.320 0.047 0.000 0.242 435 A C 0.300 178.063 177.584 0.298 0.000 1.075 435 A CA -0.209 51.992 52.037 0.274 0.000 0.777 435 A CB 0.146 19.276 19.000 0.217 0.000 1.013 435 A HN 0.647 nan 8.150 nan 0.000 0.493 436 N N 1.429 120.305 118.700 0.294 0.000 2.892 436 N HA 0.205 4.973 4.740 0.047 0.000 0.300 436 N C -0.974 174.690 175.510 0.256 0.000 1.211 436 N CA 0.327 53.577 53.050 0.334 0.000 1.158 436 N CB -0.879 37.791 38.487 0.304 0.000 1.455 436 N HN 0.476 nan 8.380 nan 0.000 0.524 437 I N 1.039 121.770 120.570 0.268 0.000 2.529 437 I HA 0.268 4.467 4.170 0.047 0.000 0.284 437 I C -0.671 175.606 176.117 0.266 0.000 1.088 437 I CA -0.615 60.814 61.300 0.214 0.000 1.062 437 I CB 1.742 39.849 38.000 0.178 0.000 1.218 437 I HN 0.246 nan 8.210 nan 0.000 0.442 438 E N 4.397 124.742 120.200 0.242 0.000 2.349 438 E HA 0.346 4.724 4.350 0.047 0.000 0.290 438 E C -0.873 175.856 176.600 0.214 0.000 0.901 438 E CA -0.395 56.135 56.400 0.217 0.000 0.800 438 E CB 1.509 31.320 29.700 0.184 0.000 1.303 438 E HN 0.540 nan 8.360 nan 0.000 0.397 439 S N 3.028 118.859 115.700 0.218 0.000 2.592 439 S HA 0.125 4.623 4.470 0.047 0.000 0.243 439 S C 0.865 175.560 174.600 0.157 0.000 1.160 439 S CA -0.433 57.905 58.200 0.230 0.000 1.145 439 S CB -0.223 63.107 63.200 0.218 0.000 0.909 439 S HN 0.734 nan 8.310 nan 0.000 0.487 440 H N 1.622 120.663 119.070 -0.049 0.000 2.394 440 H HA -0.033 4.552 4.556 0.047 0.000 0.297 440 H C 1.576 176.711 175.328 -0.321 0.000 1.113 440 H CA 0.930 56.873 56.048 -0.174 0.000 1.277 440 H CB -0.316 29.324 29.762 -0.203 0.000 1.370 440 H HN 0.665 nan 8.280 nan 0.000 0.506 444 Y N 0.329 120.636 120.300 0.010 0.000 2.507 444 Y HA 0.434 5.012 4.550 0.047 0.000 0.254 444 Y C 1.723 177.626 175.900 0.006 0.000 1.171 444 Y CA -0.576 57.524 58.100 0.000 0.000 1.238 444 Y CB 0.152 38.591 38.460 -0.035 0.000 1.148 444 Y HN 0.692 nan 8.280 nan 0.000 0.525 445 G N 1.022 109.884 108.800 0.104 0.000 2.494 445 G HA2 0.167 4.155 3.960 0.047 0.000 0.270 445 G HA3 0.167 4.155 3.960 0.047 0.000 0.270 445 G C -1.393 173.543 174.900 0.060 0.000 1.423 445 G CA -0.949 44.191 45.100 0.067 0.000 1.055 445 G HN -0.046 nan 8.290 nan 0.000 0.536 446 P HA -0.084 nan 4.420 nan 0.000 0.217 446 P C 1.671 178.990 177.300 0.033 0.000 1.148 446 P CA 2.063 65.184 63.100 0.036 0.000 0.828 446 P CB 0.108 31.822 31.700 0.024 0.000 0.783 447 A N -1.129 121.705 122.820 0.024 0.000 2.238 447 A HA 0.065 4.413 4.320 0.047 0.000 0.208 447 A C 1.230 178.821 177.584 0.010 0.000 1.177 447 A CA 0.108 52.152 52.037 0.012 0.000 0.804 447 A CB -0.995 18.006 19.000 0.002 0.000 0.823 447 A HN 0.178 nan 8.150 nan 0.000 0.482 448 S N -0.082 115.644 115.700 0.044 0.000 2.546 448 S HA 0.159 4.657 4.470 0.047 0.000 0.290 448 S C 1.082 175.703 174.600 0.035 0.000 1.290 448 S CA -0.371 57.874 58.200 0.076 0.000 1.069 448 S CB -0.028 63.264 63.200 0.153 0.000 0.846 448 S HN 0.420 nan 8.310 nan 0.000 0.495 449 L N 4.312 125.527 121.223 -0.013 0.000 2.549 449 L HA -0.030 4.338 4.340 0.047 0.000 0.229 449 L C 2.483 179.373 176.870 0.033 0.000 1.158 449 L CA 0.892 55.649 54.840 -0.138 0.000 0.842 449 L CB -0.733 41.074 42.059 -0.421 0.000 0.952 449 L HN 0.842 nan 8.230 nan 0.000 0.452 450 A N 0.087 122.998 122.820 0.152 0.000 2.119 450 A HA -0.089 4.259 4.320 0.047 0.000 0.216 450 A C 2.167 179.777 177.584 0.042 0.000 1.152 450 A CA 0.930 53.055 52.037 0.146 0.000 0.708 450 A CB -0.076 19.221 19.000 0.495 0.000 0.805 450 A HN 0.356 nan 8.150 nan 0.000 0.460 451 K N -0.514 119.921 120.400 0.058 0.000 2.354 451 K HA 0.050 4.398 4.320 0.047 0.000 0.194 451 K C -0.216 176.412 176.600 0.047 0.000 1.045 451 K CA 0.001 56.319 56.287 0.051 0.000 1.026 451 K CB 0.400 32.938 32.500 0.063 0.000 0.866 451 K HN 0.235 nan 8.250 nan 0.000 0.530 452 D N 1.440 121.875 120.400 0.058 0.000 2.374 452 D HA 0.010 4.679 4.640 0.047 0.000 0.240 452 D C 0.737 177.134 176.300 0.162 0.000 1.229 452 D CA 0.168 54.244 54.000 0.127 0.000 0.895 452 D CB 1.369 42.285 40.800 0.193 0.000 1.046 452 D HN -0.080 nan 8.370 nan 0.000 0.498 453 S N 2.443 118.206 115.700 0.105 0.000 2.440 453 S HA -0.198 4.300 4.470 0.047 0.000 0.240 453 S C 1.862 176.529 174.600 0.111 0.000 1.014 453 S CA 2.008 60.255 58.200 0.077 0.000 0.980 453 S CB -0.163 63.067 63.200 0.050 0.000 0.775 453 S HN 0.696 nan 8.310 nan 0.000 0.499 454 T N -3.241 111.407 114.554 0.157 0.000 3.098 454 T HA -0.028 4.350 4.350 0.047 0.000 0.266 454 T C 0.888 175.571 174.700 -0.029 0.000 1.145 454 T CA 0.457 62.630 62.100 0.122 0.000 1.092 454 T CB -0.512 68.413 68.868 0.095 0.000 0.908 454 T HN 0.609 nan 8.240 nan 0.000 0.526 455 W N 0.321 121.625 121.300 0.007 0.000 3.239 455 W HA 0.540 5.228 4.660 0.047 0.000 0.368 455 W C 1.463 178.031 176.519 0.081 0.000 1.154 455 W CA -1.158 56.209 57.345 0.036 0.000 1.860 455 W CB -0.095 29.428 29.460 0.105 0.000 1.094 455 W HN 0.181 nan 8.180 nan 0.000 0.643 456 L N 0.459 121.759 121.223 0.129 0.000 2.017 456 L HA -0.172 4.196 4.340 0.047 0.000 0.208 456 L C 2.190 179.065 176.870 0.007 0.000 1.073 456 L CA 2.290 57.139 54.840 0.015 0.000 0.745 456 L CB -1.124 40.919 42.059 -0.027 0.000 0.894 456 L HN -0.142 nan 8.230 nan 0.000 0.432 457 T N 0.025 114.578 114.554 -0.002 0.000 2.699 457 T HA -0.224 4.154 4.350 0.047 0.000 0.268 457 T C 1.890 176.560 174.700 -0.050 0.000 1.036 457 T CA 1.540 63.608 62.100 -0.053 0.000 1.147 457 T CB -0.583 68.280 68.868 -0.008 0.000 0.862 457 T HN 0.580 nan 8.240 nan 0.000 0.446 458 A N 1.083 123.916 122.820 0.021 0.000 1.877 458 A HA -0.050 4.299 4.320 0.047 0.000 0.216 458 A C 1.164 178.760 177.584 0.019 0.000 1.186 458 A CA 1.227 53.293 52.037 0.048 0.000 0.620 458 A CB -0.802 18.303 19.000 0.175 0.000 0.822 458 A HN 0.569 nan 8.150 nan 0.000 0.443 462 R N 0.075 120.519 120.500 -0.093 0.000 2.115 462 R HA 0.105 4.473 4.340 0.047 0.000 0.230 462 R C 1.623 177.927 176.300 0.006 0.000 1.111 462 R CA 1.924 58.015 56.100 -0.014 0.000 0.976 462 R CB -0.186 30.124 30.300 0.017 0.000 0.870 462 R HN 0.162 nan 8.270 nan 0.000 0.445 463 T N -0.563 113.968 114.554 -0.039 0.000 2.812 463 T HA -0.088 4.290 4.350 0.047 0.000 0.264 463 T C 1.443 176.182 174.700 0.065 0.000 1.042 463 T CA 1.028 63.144 62.100 0.027 0.000 1.140 463 T CB -0.225 68.660 68.868 0.028 0.000 0.870 463 T HN 0.428 nan 8.240 nan 0.000 0.445 464 H N 0.757 119.652 119.070 -0.292 0.000 2.321 464 H HA 0.045 4.630 4.556 0.047 0.000 0.300 464 H C 1.462 176.738 175.328 -0.086 0.000 1.087 464 H CA 0.533 56.378 56.048 -0.339 0.000 1.319 464 H CB 0.189 29.669 29.762 -0.470 0.000 1.379 464 H HN 0.206 nan 8.280 nan 0.000 0.501 468 E N 2.262 122.351 120.200 -0.185 0.000 2.085 468 E HA -0.211 4.167 4.350 0.047 0.000 0.194 468 E C 2.004 178.365 176.600 -0.397 0.000 0.994 468 E CA 1.986 58.209 56.400 -0.296 0.000 0.801 468 E CB -0.450 29.158 29.700 -0.153 0.000 0.743 468 E HN 0.718 nan 8.360 nan 0.000 0.453 469 R N 0.283 120.568 120.500 -0.359 0.000 2.148 469 R HA 0.043 4.412 4.340 0.047 0.000 0.227 469 R C 1.302 177.449 176.300 -0.254 0.000 1.103 469 R CA 1.492 57.334 56.100 -0.430 0.000 0.983 469 R CB -0.015 30.068 30.300 -0.362 0.000 0.874 469 R HN -0.088 nan 8.270 nan 0.000 0.451 470 S N 0.407 116.011 115.700 -0.160 0.000 2.780 470 S HA 0.098 4.596 4.470 0.047 0.000 0.248 470 S C 0.745 175.356 174.600 0.019 0.000 1.036 470 S CA -0.314 57.886 58.200 0.001 0.000 1.061 470 S CB 0.939 64.087 63.200 -0.087 0.000 1.037 470 S HN 0.457 nan 8.310 nan 0.000 0.584 471 K N 1.939 122.226 120.400 -0.188 0.000 2.293 471 K HA -0.057 4.291 4.320 0.047 0.000 0.204 471 K C 0.795 177.285 176.600 -0.184 0.000 1.045 471 K CA 1.467 57.624 56.287 -0.215 0.000 0.933 471 K CB -0.288 31.744 32.500 -0.781 0.000 0.736 471 K HN 0.108 nan 8.250 nan 0.000 0.463 472 N N 0.429 118.946 118.700 -0.307 0.000 2.280 472 N HA -0.005 4.763 4.740 0.047 0.000 0.192 472 N C -0.496 174.807 175.510 -0.345 0.000 1.109 472 N CA 0.130 52.989 53.050 -0.319 0.000 0.855 472 N CB 0.123 38.406 38.487 -0.341 0.000 0.974 472 N HN 0.295 nan 8.380 nan 0.000 0.482 473 H N 1.803 120.760 119.070 -0.187 0.000 2.819 473 H HA 0.077 4.662 4.556 0.047 0.000 0.303 473 H C -1.151 173.983 175.328 -0.323 0.000 1.058 473 H CA -1.019 54.901 56.048 -0.214 0.000 1.471 473 H CB 1.337 31.013 29.762 -0.144 0.000 1.480 473 H HN 0.096 nan 8.280 nan 0.000 0.517 474 P HA -0.097 nan 4.420 nan 0.000 0.223 474 P C 1.184 177.987 177.300 -0.829 0.000 1.151 474 P CA 0.883 63.587 63.100 -0.660 0.000 0.787 474 P CB 0.282 31.383 31.700 -0.999 0.000 0.788 475 A N 0.212 122.638 122.820 -0.657 0.000 2.015 475 A HA -0.030 4.318 4.320 0.047 0.000 0.219 475 A C 1.535 179.089 177.584 -0.051 0.000 1.163 475 A CA 0.441 52.295 52.037 -0.304 0.000 0.646 475 A CB -1.121 17.822 19.000 -0.095 0.000 0.806 475 A HN 0.164 nan 8.150 nan 0.000 0.448 476 I N 1.512 122.011 120.570 -0.118 0.000 2.421 476 I HA 0.052 4.251 4.170 0.047 0.000 0.291 476 I C 1.167 177.158 176.117 -0.210 0.000 1.089 476 I CA -0.201 60.997 61.300 -0.170 0.000 1.354 476 I CB 1.378 39.158 38.000 -0.367 0.000 1.413 476 I HN 0.196 nan 8.210 nan 0.000 0.513 477 V N 4.966 124.830 119.914 -0.083 0.000 3.645 477 V HA 0.416 4.565 4.120 0.047 0.000 0.275 477 V C 0.526 176.585 176.094 -0.058 0.000 1.356 477 V CA 0.239 62.537 62.300 -0.004 0.000 1.051 477 V CB -0.044 31.909 31.823 0.215 0.000 0.828 477 V HN 0.520 nan 8.190 nan 0.000 0.441 478 I N -0.426 120.045 120.570 -0.165 0.000 2.656 478 I HA 0.457 4.655 4.170 0.047 0.000 0.292 478 I C -1.491 174.569 176.117 -0.095 0.000 1.144 478 I CA -0.538 60.691 61.300 -0.119 0.000 1.038 478 I CB 2.466 40.411 38.000 -0.092 0.000 1.244 478 I HN 0.113 nan 8.210 nan 0.000 0.420 479 W N 4.359 125.732 121.300 0.121 0.000 2.433 479 W HA 0.561 5.249 4.660 0.047 0.000 0.315 479 W C 0.395 177.005 176.519 0.151 0.000 1.087 479 W CA -0.670 56.765 57.345 0.151 0.000 1.205 479 W CB 1.794 31.345 29.460 0.153 0.000 1.288 479 W HN 0.312 nan 8.180 nan 0.000 0.504 480 S N 1.972 117.944 115.700 0.453 0.000 2.454 480 S HA 0.179 4.677 4.470 0.047 0.000 0.306 480 S C 0.597 175.403 174.600 0.343 0.000 1.100 480 S CA -0.551 57.853 58.200 0.341 0.000 1.087 480 S CB 1.354 64.721 63.200 0.279 0.000 1.019 480 S HN 0.634 nan 8.310 nan 0.000 0.480 481 Q N 2.589 122.573 119.800 0.307 0.000 2.435 481 Q HA 0.268 4.636 4.340 0.047 0.000 0.207 481 Q C 1.032 177.190 176.000 0.264 0.000 0.956 481 Q CA 0.492 56.444 55.803 0.249 0.000 0.917 481 Q CB 0.191 29.036 28.738 0.178 0.000 0.997 481 Q HN 0.917 nan 8.270 nan 0.000 0.497 482 G N 0.443 109.419 108.800 0.293 0.000 2.356 482 G HA2 0.053 4.041 3.960 0.047 0.000 0.266 482 G HA3 0.053 4.041 3.960 0.047 0.000 0.266 482 G C -1.867 173.235 174.900 0.337 0.000 1.312 482 G CA -0.729 44.562 45.100 0.318 0.000 0.922 482 G HN 0.122 nan 8.290 nan 0.000 0.480 483 N N -0.038 118.810 118.700 0.246 0.000 2.431 483 N HA 0.431 5.200 4.740 0.047 0.000 0.275 483 N C -0.529 174.935 175.510 -0.077 0.000 1.091 483 N CA -0.049 52.998 53.050 -0.005 0.000 0.922 483 N CB 1.614 39.854 38.487 -0.412 0.000 1.666 483 N HN 0.806 nan 8.380 nan 0.000 0.484 484 E N 1.311 121.375 120.200 -0.227 0.000 2.160 484 E HA -0.244 4.134 4.350 0.047 0.000 0.180 484 E C -0.581 176.055 176.600 0.059 0.000 1.452 484 E CA 0.776 57.033 56.400 -0.238 0.000 0.683 484 E CB -1.084 28.315 29.700 -0.500 0.000 1.072 484 E HN 0.527 nan 8.360 nan 0.000 0.332 485 A N 0.852 123.761 122.820 0.148 0.000 2.609 485 A HA 0.569 4.917 4.320 0.047 0.000 0.286 485 A C 0.883 178.693 177.584 0.377 0.000 1.138 485 A CA 0.615 52.857 52.037 0.341 0.000 0.960 485 A CB 0.588 19.896 19.000 0.514 0.000 1.208 485 A HN 0.967 nan 8.150 nan 0.000 0.541 486 G N 0.216 109.122 108.800 0.177 0.000 2.782 486 G HA2 -0.065 3.924 3.960 0.047 0.000 0.228 486 G HA3 -0.065 3.924 3.960 0.047 0.000 0.228 486 G C -0.595 174.346 174.900 0.069 0.000 1.372 486 G CA -0.039 45.130 45.100 0.114 0.000 0.862 486 G HN 1.107 nan 8.290 nan 0.000 0.547 487 N N -0.271 118.480 118.700 0.085 0.000 2.229 487 N HA 0.845 5.613 4.740 0.047 0.000 0.298 487 N C 0.331 175.943 175.510 0.171 0.000 1.114 487 N CA 1.303 54.436 53.050 0.139 0.000 0.776 487 N CB 1.805 40.294 38.487 0.003 0.000 1.501 487 N HN 2.032 nan 8.380 nan 0.000 0.474 488 G N 0.984 109.907 108.800 0.205 0.000 2.336 488 G HA2 0.061 4.049 3.960 0.047 0.000 0.286 488 G HA3 0.061 4.049 3.960 0.047 0.000 0.286 488 G C 0.187 175.162 174.900 0.126 0.000 1.269 488 G CA -0.208 44.977 45.100 0.141 0.000 0.873 488 G HN 0.572 nan 8.290 nan 0.000 0.494 489 I N 0.911 121.526 120.570 0.075 0.000 2.194 489 I HA -0.154 4.044 4.170 0.047 0.000 0.246 489 I C 2.140 178.255 176.117 -0.003 0.000 1.093 489 I CA 2.662 63.993 61.300 0.052 0.000 1.355 489 I CB -0.620 37.400 38.000 0.033 0.000 1.046 489 I HN 0.587 nan 8.210 nan 0.000 0.413 490 N N -0.659 117.971 118.700 -0.116 0.000 2.104 490 N HA -0.210 4.558 4.740 0.047 0.000 0.190 490 N C 1.725 177.027 175.510 -0.347 0.000 1.024 490 N CA 1.500 54.346 53.050 -0.340 0.000 0.853 490 N CB -0.289 37.724 38.487 -0.790 0.000 1.008 490 N HN 0.286 nan 8.380 nan 0.000 0.424 491 F N 1.456 121.331 119.950 -0.125 0.000 2.367 491 F HA 0.025 4.581 4.527 0.047 0.000 0.298 491 F C 2.136 177.935 175.800 -0.001 0.000 1.094 491 F CA 0.695 58.637 58.000 -0.095 0.000 1.409 491 F CB -0.039 38.862 39.000 -0.164 0.000 1.064 491 F HN 0.038 nan 8.300 nan 0.000 0.528 492 E N -0.329 119.977 120.200 0.177 0.000 2.107 492 E HA -0.128 4.250 4.350 0.047 0.000 0.191 492 E C 2.325 179.081 176.600 0.260 0.000 0.982 492 E CA 0.517 57.034 56.400 0.195 0.000 0.809 492 E CB -0.052 29.800 29.700 0.253 0.000 0.756 492 E HN 0.266 nan 8.360 nan 0.000 0.459 493 R N 0.428 121.023 120.500 0.158 0.000 2.066 493 R HA -0.094 4.274 4.340 0.047 0.000 0.232 493 R C 2.712 179.111 176.300 0.165 0.000 1.131 493 R CA 1.933 58.115 56.100 0.136 0.000 0.955 493 R CB -1.001 29.324 30.300 0.041 0.000 0.851 493 R HN 0.336 nan 8.270 nan 0.000 0.432 494 T N -1.537 113.083 114.554 0.110 0.000 2.867 494 T HA -0.196 4.182 4.350 0.047 0.000 0.268 494 T C 1.927 176.769 174.700 0.237 0.000 1.057 494 T CA 1.111 63.305 62.100 0.156 0.000 1.136 494 T CB -0.585 68.310 68.868 0.046 0.000 0.874 494 T HN 0.315 nan 8.240 nan 0.000 0.466 495 Y N 2.682 123.053 120.300 0.117 0.000 2.145 495 Y HA -0.100 4.479 4.550 0.047 0.000 0.286 495 Y C 1.955 177.913 175.900 0.097 0.000 1.145 495 Y CA 1.840 59.995 58.100 0.090 0.000 1.148 495 Y CB -0.525 37.945 38.460 0.017 0.000 0.981 495 Y HN 0.113 nan 8.280 nan 0.000 0.507 496 D N -0.563 119.977 120.400 0.233 0.000 2.144 496 D HA -0.227 4.441 4.640 0.047 0.000 0.199 496 D C 1.728 178.031 176.300 0.004 0.000 0.984 496 D CA 1.447 55.528 54.000 0.134 0.000 0.834 496 D CB -0.847 40.105 40.800 0.252 0.000 0.955 496 D HN 0.610 nan 8.370 nan 0.000 0.465 497 W N 1.598 122.857 121.300 -0.068 0.000 2.379 497 W HA -0.078 4.610 4.660 0.047 0.000 0.307 497 W C 2.057 178.440 176.519 -0.226 0.000 1.200 497 W CA 0.951 58.230 57.345 -0.109 0.000 1.297 497 W CB -0.579 28.850 29.460 -0.052 0.000 1.140 497 W HN -0.111 nan 8.180 nan 0.000 0.507 498 L N 0.778 121.733 121.223 -0.447 0.000 2.079 498 L HA -0.248 4.120 4.340 0.047 0.000 0.210 498 L C 2.432 178.899 176.870 -0.672 0.000 1.081 498 L CA 1.474 55.854 54.840 -0.766 0.000 0.752 498 L CB -0.828 40.999 42.059 -0.386 0.000 0.896 498 L HN -0.118 nan 8.230 nan 0.000 0.433 499 K N 0.047 120.133 120.400 -0.523 0.000 2.097 499 K HA -0.119 4.230 4.320 0.047 0.000 0.205 499 K C 2.347 178.744 176.600 -0.337 0.000 1.050 499 K CA 1.505 57.557 56.287 -0.393 0.000 0.938 499 K CB -0.403 31.879 32.500 -0.362 0.000 0.718 499 K HN 0.368 nan 8.250 nan 0.000 0.442 500 S N -0.489 114.976 115.700 -0.392 0.000 2.447 500 S HA -0.095 4.403 4.470 0.047 0.000 0.233 500 S C 1.845 176.195 174.600 -0.417 0.000 1.006 500 S CA 1.108 59.109 58.200 -0.331 0.000 0.957 500 S CB -0.403 62.634 63.200 -0.271 0.000 0.773 500 S HN 0.113 nan 8.310 nan 0.000 0.507 501 V N -1.909 117.600 119.914 -0.676 0.000 3.523 501 V HA 0.459 4.607 4.120 0.047 0.000 0.255 501 V C 0.370 176.219 176.094 -0.409 0.000 1.226 501 V CA 0.318 62.234 62.300 -0.641 0.000 1.092 501 V CB -0.373 30.763 31.823 -1.144 0.000 0.817 501 V HN 0.319 nan 8.190 nan 0.000 0.458 502 E N 1.243 121.218 120.200 -0.374 0.000 2.129 502 E HA 0.448 4.826 4.350 0.047 0.000 0.268 502 E C 0.327 176.905 176.600 -0.037 0.000 0.900 502 E CA -0.401 55.947 56.400 -0.086 0.000 0.755 502 E CB 1.458 31.191 29.700 0.055 0.000 1.117 502 E HN 0.165 nan 8.360 nan 0.000 0.410 503 K N 2.837 123.242 120.400 0.008 0.000 2.374 503 K HA 0.290 4.638 4.320 0.047 0.000 0.202 503 K C 0.767 177.395 176.600 0.047 0.000 1.040 503 K CA 0.466 56.762 56.287 0.014 0.000 1.085 503 K CB 1.488 33.988 32.500 0.001 0.000 0.873 503 K HN 0.480 nan 8.250 nan 0.000 0.539 504 G N 1.003 109.843 108.800 0.067 0.000 3.735 504 G HA2 0.192 4.180 3.960 0.047 0.000 0.283 504 G HA3 0.192 4.180 3.960 0.047 0.000 0.283 504 G C -0.088 174.853 174.900 0.069 0.000 1.007 504 G CA -0.289 44.850 45.100 0.065 0.000 0.821 504 G HN -0.012 nan 8.290 nan 0.000 0.505 505 R N 0.043 120.600 120.500 0.095 0.000 2.566 505 R HA 0.353 4.721 4.340 0.047 0.000 0.271 505 R C -3.212 173.169 176.300 0.136 0.000 1.071 505 R CA -1.512 54.635 56.100 0.078 0.000 0.915 505 R CB 2.381 32.646 30.300 -0.059 0.000 1.228 505 R HN -0.054 nan 8.270 nan 0.000 0.449 506 P HA 0.158 nan 4.420 nan 0.000 0.275 506 P C -0.875 176.539 177.300 0.190 0.000 1.228 506 P CA -0.474 62.726 63.100 0.167 0.000 0.786 506 P CB 0.845 32.643 31.700 0.164 0.000 0.927 507 V N 3.435 123.482 119.914 0.223 0.000 2.448 507 V HA 0.394 4.542 4.120 0.047 0.000 0.295 507 V C 0.131 176.409 176.094 0.307 0.000 1.025 507 V CA -0.303 62.164 62.300 0.279 0.000 0.859 507 V CB 1.042 32.971 31.823 0.177 0.000 0.988 507 V HN 0.589 nan 8.190 nan 0.000 0.431 508 Q N 4.004 123.963 119.800 0.264 0.000 2.413 508 Q HA 0.771 5.139 4.340 0.047 0.000 0.276 508 Q C -1.856 174.300 176.000 0.260 0.000 1.099 508 Q CA -0.982 54.942 55.803 0.202 0.000 0.814 508 Q CB 2.954 31.746 28.738 0.090 0.000 1.379 508 Q HN 0.594 nan 8.270 nan 0.000 0.436 509 Y N 0.796 121.090 120.300 -0.009 0.000 2.323 509 Y HA 0.158 4.736 4.550 0.047 0.000 0.322 509 Y C 0.186 175.982 175.900 -0.173 0.000 1.133 509 Y CA -1.045 57.001 58.100 -0.091 0.000 1.093 509 Y CB 1.980 40.365 38.460 -0.124 0.000 1.203 509 Y HN 0.985 nan 8.280 nan 0.000 0.427 510 E N 3.640 123.524 120.200 -0.527 0.000 2.110 510 E HA -0.136 4.242 4.350 0.047 0.000 0.193 510 E C 1.072 177.233 176.600 -0.732 0.000 0.988 510 E CA 1.119 57.188 56.400 -0.550 0.000 0.804 510 E CB 0.352 29.794 29.700 -0.431 0.000 0.745 510 E HN 0.667 nan 8.360 nan 0.000 0.458 511 R N -0.207 119.539 120.500 -1.256 0.000 2.280 511 R HA 0.042 4.411 4.340 0.047 0.000 0.207 511 R C 1.794 177.695 176.300 -0.664 0.000 1.043 511 R CA 0.743 56.231 56.100 -1.020 0.000 1.006 511 R CB -0.382 29.215 30.300 -1.171 0.000 0.885 511 R HN 0.123 nan 8.270 nan 0.000 0.467 512 A N 0.685 123.161 122.820 -0.574 0.000 2.208 512 A HA -0.035 4.313 4.320 0.047 0.000 0.209 512 A C 0.865 178.328 177.584 -0.202 0.000 1.161 512 A CA 0.454 52.345 52.037 -0.244 0.000 0.782 512 A CB 0.015 18.936 19.000 -0.132 0.000 0.816 512 A HN 0.373 nan 8.150 nan 0.000 0.477 513 E N -1.675 118.390 120.200 -0.225 0.000 3.671 513 E HA -0.326 4.053 4.350 0.047 0.000 0.402 513 E C 0.473 177.053 176.600 -0.033 0.000 1.493 513 E CA 2.152 58.503 56.400 -0.082 0.000 1.548 513 E CB -1.115 28.538 29.700 -0.078 0.000 1.459 513 E HN 0.503 nan 8.360 nan 0.000 0.351 514 L N 0.835 121.986 121.223 -0.120 0.000 3.184 514 L HA 0.270 4.638 4.340 0.047 0.000 0.283 514 L C 0.193 177.005 176.870 -0.096 0.000 1.218 514 L CA -0.354 54.373 54.840 -0.188 0.000 1.028 514 L CB 0.216 42.101 42.059 -0.290 0.000 1.400 514 L HN 0.156 nan 8.230 nan 0.000 0.591 515 N N -0.612 118.042 118.700 -0.077 0.000 2.294 515 N HA -0.054 4.715 4.740 0.047 0.000 0.248 515 N C 0.908 176.403 175.510 -0.024 0.000 1.300 515 N CA 0.107 53.148 53.050 -0.015 0.000 0.925 515 N CB 0.324 38.796 38.487 -0.025 0.000 1.188 515 N HN 0.137 nan 8.380 nan 0.000 0.512 516 Y N 0.316 120.583 120.300 -0.055 0.000 2.181 516 Y HA -0.106 4.473 4.550 0.047 0.000 0.288 516 Y C 0.720 176.443 175.900 -0.295 0.000 1.146 516 Y CA 0.785 58.846 58.100 -0.065 0.000 1.164 516 Y CB -0.440 38.002 38.460 -0.029 0.000 0.982 516 Y HN 0.429 nan 8.280 nan 0.000 0.515 517 N N 1.688 119.453 118.700 -1.558 0.000 3.127 517 N HA 0.069 4.837 4.740 0.047 0.000 0.317 517 N C -0.724 174.163 175.510 -1.038 0.000 1.242 517 N CA 1.000 52.864 53.050 -1.976 0.000 1.203 517 N CB 0.088 37.687 38.487 -1.479 0.000 1.462 517 N HN 0.437 nan 8.380 nan 0.000 0.546 518 T N -0.548 113.628 114.554 -0.630 0.000 3.610 518 T HA 0.048 4.426 4.350 0.047 0.000 0.419 518 T C -1.140 173.594 174.700 0.056 0.000 1.582 518 T CA -0.616 61.438 62.100 -0.077 0.000 1.146 518 T CB 0.622 69.442 68.868 -0.080 0.000 1.460 518 T HN 0.157 nan 8.240 nan 0.000 0.465 519 D N 3.239 123.750 120.400 0.184 0.000 2.349 519 D HA 0.320 4.988 4.640 0.047 0.000 0.214 519 D C 0.489 176.840 176.300 0.085 0.000 1.063 519 D CA 0.471 54.578 54.000 0.178 0.000 0.847 519 D CB 0.675 41.614 40.800 0.233 0.000 0.933 519 D HN 0.556 nan 8.370 nan 0.000 0.513 520 I N 0.318 120.909 120.570 0.034 0.000 2.656 520 I HA 0.125 4.323 4.170 0.047 0.000 0.292 520 I C -1.251 174.841 176.117 -0.041 0.000 1.144 520 I CA -1.200 60.095 61.300 -0.009 0.000 1.038 520 I CB 2.643 40.617 38.000 -0.043 0.000 1.244 520 I HN -0.247 nan 8.210 nan 0.000 0.420 521 Y N 6.333 126.470 120.300 -0.272 0.000 2.452 521 Y HA 0.290 4.868 4.550 0.047 0.000 0.348 521 Y C 0.684 176.361 175.900 -0.372 0.000 0.985 521 Y CA -1.251 56.557 58.100 -0.486 0.000 1.214 521 Y CB 0.975 38.867 38.460 -0.946 0.000 1.136 521 Y HN 0.687 nan 8.280 nan 0.000 0.523 522 c N 5.661 123.962 118.600 -0.498 0.000 2.849 522 c HA 0.541 5.139 4.570 0.047 0.000 0.271 522 c C 0.790 174.633 174.090 -0.412 0.000 1.519 522 c CA -0.930 55.187 56.329 -0.353 0.000 1.783 522 c CB -1.512 40.878 42.510 -0.201 0.000 2.869 522 c HN 0.892 nan 8.230 nan 0.000 0.527 526 R N 1.770 122.383 120.500 0.189 0.000 2.643 526 R HA 0.340 4.708 4.340 0.047 0.000 0.270 526 R C 0.867 177.294 176.300 0.212 0.000 1.061 526 R CA 0.293 56.503 56.100 0.184 0.000 1.107 526 R CB 0.607 31.028 30.300 0.203 0.000 0.999 526 R HN 0.409 nan 8.270 nan 0.000 0.460 527 S N -0.023 115.751 115.700 0.122 0.000 2.634 527 S HA 0.093 4.591 4.470 0.047 0.000 0.261 527 S C 1.530 176.043 174.600 -0.145 0.000 1.271 527 S CA -0.827 57.374 58.200 0.001 0.000 0.985 527 S CB 0.682 63.871 63.200 -0.019 0.000 0.968 527 S HN 0.254 nan 8.310 nan 0.000 0.568 528 V N 1.307 121.004 119.914 -0.363 0.000 2.332 528 V HA -0.169 3.979 4.120 0.047 0.000 0.248 528 V C 2.231 178.214 176.094 -0.186 0.000 1.055 528 V CA 2.302 64.368 62.300 -0.390 0.000 1.038 528 V CB -1.012 30.549 31.823 -0.437 0.000 0.651 528 V HN 0.826 nan 8.190 nan 0.000 0.450 529 D N -0.170 120.162 120.400 -0.114 0.000 2.117 529 D HA -0.168 4.500 4.640 0.047 0.000 0.197 529 D C 2.187 178.497 176.300 0.017 0.000 0.987 529 D CA 1.315 55.288 54.000 -0.045 0.000 0.829 529 D CB -0.217 40.566 40.800 -0.028 0.000 0.961 529 D HN 0.571 nan 8.370 nan 0.000 0.460 530 E N 0.210 120.438 120.200 0.047 0.000 2.153 530 E HA -0.133 4.245 4.350 0.047 0.000 0.194 530 E C 2.142 178.894 176.600 0.254 0.000 0.988 530 E CA 0.388 56.876 56.400 0.148 0.000 0.811 530 E CB 0.114 29.912 29.700 0.164 0.000 0.746 530 E HN 0.261 nan 8.360 nan 0.000 0.466 531 I N 1.457 122.101 120.570 0.124 0.000 2.202 531 I HA -0.231 3.967 4.170 0.047 0.000 0.242 531 I C 2.102 178.344 176.117 0.207 0.000 1.091 531 I CA 1.436 62.807 61.300 0.117 0.000 1.368 531 I CB -0.901 36.980 38.000 -0.199 0.000 1.058 531 I HN 0.050 nan 8.210 nan 0.000 0.410 532 K N 1.002 121.446 120.400 0.072 0.000 2.097 532 K HA -0.118 4.230 4.320 0.047 0.000 0.206 532 K C 2.227 178.884 176.600 0.096 0.000 1.049 532 K CA 1.548 57.870 56.287 0.059 0.000 0.933 532 K CB -0.223 32.275 32.500 -0.003 0.000 0.717 532 K HN 0.300 nan 8.250 nan 0.000 0.442 533 A N 0.744 123.636 122.820 0.119 0.000 1.933 533 A HA -0.212 4.136 4.320 0.047 0.000 0.218 533 A C 2.066 179.732 177.584 0.135 0.000 1.175 533 A CA 1.342 53.443 52.037 0.107 0.000 0.628 533 A CB -0.686 18.380 19.000 0.110 0.000 0.814 533 A HN 0.428 nan 8.150 nan 0.000 0.444 534 Y N -0.171 120.210 120.300 0.134 0.000 2.133 534 Y HA -0.118 4.461 4.550 0.047 0.000 0.287 534 Y C 2.449 178.393 175.900 0.073 0.000 1.134 534 Y CA 1.877 60.036 58.100 0.097 0.000 1.133 534 Y CB -0.637 37.958 38.460 0.225 0.000 0.987 534 Y HN 0.071 nan 8.280 nan 0.000 0.502 535 V N 0.290 120.265 119.914 0.101 0.000 2.469 535 V HA -0.214 3.934 4.120 0.047 0.000 0.251 535 V C 2.079 178.110 176.094 -0.104 0.000 1.064 535 V CA 2.286 64.572 62.300 -0.023 0.000 1.066 535 V CB -1.132 30.768 31.823 0.129 0.000 0.667 535 V HN 0.635 nan 8.190 nan 0.000 0.461 536 G N -0.751 108.013 108.800 -0.059 0.000 3.088 536 G HA2 0.003 3.991 3.960 0.047 0.000 0.212 536 G HA3 0.003 3.991 3.960 0.047 0.000 0.212 536 G C 0.689 175.533 174.900 -0.094 0.000 1.173 536 G CA -0.128 44.937 45.100 -0.058 0.000 0.779 536 G HN 0.516 nan 8.290 nan 0.000 0.540 537 K N 1.060 121.354 120.400 -0.177 0.000 2.185 537 K HA 0.285 4.633 4.320 0.047 0.000 0.271 537 K C 0.022 176.523 176.600 -0.164 0.000 1.013 537 K CA -0.555 55.626 56.287 -0.178 0.000 0.943 537 K CB 0.545 32.894 32.500 -0.252 0.000 0.998 537 K HN -0.031 nan 8.250 nan 0.000 0.468 538 K N 2.725 123.063 120.400 -0.104 0.000 2.350 538 K HA 0.000 4.349 4.320 0.047 0.000 0.279 538 K C -0.504 176.058 176.600 -0.063 0.000 1.027 538 K CA 0.004 56.249 56.287 -0.070 0.000 0.969 538 K CB 0.455 32.929 32.500 -0.043 0.000 0.954 538 K HN 0.715 nan 8.250 nan 0.000 0.474 539 D N 0.391 120.771 120.400 -0.034 0.000 3.077 539 D HA -0.194 4.474 4.640 0.047 0.000 0.217 539 D C 0.283 176.618 176.300 0.057 0.000 1.162 539 D CA 1.061 55.069 54.000 0.013 0.000 0.943 539 D CB -1.672 39.142 40.800 0.023 0.000 1.122 539 D HN 0.637 nan 8.370 nan 0.000 0.413 540 I N -1.512 119.025 120.570 -0.055 0.000 2.754 540 I HA 0.182 4.380 4.170 0.047 0.000 0.285 540 I C 1.332 177.485 176.117 0.060 0.000 1.166 540 I CA -0.199 61.033 61.300 -0.113 0.000 1.417 540 I CB 0.248 37.981 38.000 -0.444 0.000 1.382 540 I HN 0.024 nan 8.210 nan 0.000 0.588 541 Y N 2.038 122.341 120.300 0.005 0.000 2.728 541 Y HA 0.551 5.129 4.550 0.047 0.000 0.256 541 Y C 0.029 175.984 175.900 0.092 0.000 1.112 541 Y CA -0.945 57.181 58.100 0.043 0.000 1.240 541 Y CB 0.026 38.510 38.460 0.040 0.000 1.337 541 Y HN 0.434 nan 8.280 nan 0.000 0.559 542 R N 2.605 122.978 120.500 -0.212 0.000 2.686 542 R HA 0.477 4.845 4.340 0.047 0.000 0.286 542 R C -2.888 173.487 176.300 0.125 0.000 0.969 542 R CA -2.078 53.978 56.100 -0.073 0.000 0.898 542 R CB 1.761 31.920 30.300 -0.234 0.000 1.183 542 R HN -0.008 nan 8.270 nan 0.000 0.456 543 P HA 0.014 nan 4.420 nan 0.000 0.274 543 P C -0.993 176.451 177.300 0.240 0.000 1.237 543 P CA -0.068 63.164 63.100 0.220 0.000 0.793 543 P CB 0.759 32.562 31.700 0.172 0.000 0.977 544 F N 2.812 122.831 119.950 0.116 0.000 2.371 544 F HA 0.472 5.027 4.527 0.047 0.000 0.363 544 F C -0.188 175.522 175.800 -0.149 0.000 1.122 544 F CA -0.928 57.051 58.000 -0.035 0.000 1.129 544 F CB 0.333 39.372 39.000 0.066 0.000 1.173 544 F HN 0.081 nan 8.300 nan 0.000 0.489 545 I N 7.487 128.154 120.570 0.161 0.000 2.503 545 I HA 0.137 4.335 4.170 0.047 0.000 0.282 545 I C -0.713 175.299 176.117 -0.174 0.000 1.059 545 I CA -0.762 60.434 61.300 -0.174 0.000 1.081 545 I CB 1.620 39.492 38.000 -0.214 0.000 1.210 545 I HN 0.372 nan 8.210 nan 0.000 0.450 546 L N 4.668 125.695 121.223 -0.325 0.000 2.615 546 L HA -0.061 4.307 4.340 0.047 0.000 0.271 546 L C 1.475 178.249 176.870 -0.160 0.000 1.183 546 L CA 0.526 55.214 54.840 -0.255 0.000 0.933 546 L CB 0.350 42.184 42.059 -0.374 0.000 1.199 546 L HN 0.916 nan 8.230 nan 0.000 0.487 547 c N 2.976 121.495 118.600 -0.136 0.000 2.411 547 c HA -0.092 4.506 4.570 0.047 0.000 0.279 547 c C 1.178 175.267 174.090 -0.002 0.000 1.288 547 c CA 0.743 57.031 56.329 -0.069 0.000 1.764 547 c CB -0.505 41.950 42.510 -0.091 0.000 1.974 547 c HN 0.751 nan 8.230 nan 0.000 0.498 548 E N -2.455 117.674 120.200 -0.119 0.000 2.352 548 E HA 0.569 4.947 4.350 0.047 0.000 0.280 548 E C -1.245 175.130 176.600 -0.376 0.000 0.930 548 E CA -0.442 55.868 56.400 -0.150 0.000 0.765 548 E CB 2.090 31.608 29.700 -0.304 0.000 1.219 548 E HN 0.497 nan 8.360 nan 0.000 0.434 549 Y N -0.313 119.798 120.300 -0.314 0.000 2.779 549 Y HA 0.455 5.033 4.550 0.047 0.000 0.340 549 Y C -0.806 175.136 175.900 0.070 0.000 1.252 549 Y CA -1.526 56.445 58.100 -0.215 0.000 1.072 549 Y CB 0.585 38.839 38.460 -0.342 0.000 1.343 549 Y HN 0.448 nan 8.280 nan 0.000 0.450 550 L N 2.915 124.026 121.223 -0.186 0.000 3.795 550 L HA -0.227 4.141 4.340 0.047 0.000 0.489 550 L C -0.124 176.720 176.870 -0.043 0.000 1.259 550 L CA 1.314 56.018 54.840 -0.226 0.000 0.765 550 L CB -1.294 40.363 42.059 -0.671 0.000 1.519 550 L HN 0.936 nan 8.230 nan 0.000 0.842 551 H N 1.354 120.500 119.070 0.126 0.000 3.237 551 H HA 0.272 4.856 4.556 0.047 0.000 0.270 551 H C 0.726 176.035 175.328 -0.032 0.000 0.900 551 H CA 0.716 56.860 56.048 0.160 0.000 1.415 551 H CB 0.382 30.197 29.762 0.088 0.000 1.484 551 H HN 0.674 nan 8.280 nan 0.000 0.540 555 N N 1.130 119.189 118.700 -1.069 0.000 2.466 555 N HA 0.496 5.264 4.740 0.047 0.000 0.263 555 N C -0.161 175.112 175.510 -0.394 0.000 1.178 555 N CA 0.593 53.127 53.050 -0.860 0.000 0.983 555 N CB 0.726 38.677 38.487 -0.893 0.000 1.331 555 N HN 0.532 nan 8.380 nan 0.000 0.500 556 S N 1.313 116.950 115.700 -0.104 0.000 3.081 556 S HA 0.468 4.966 4.470 0.047 0.000 0.316 556 S C -0.171 174.394 174.600 -0.059 0.000 1.089 556 S CA -0.006 58.134 58.200 -0.101 0.000 0.897 556 S CB 0.226 63.345 63.200 -0.135 0.000 1.358 556 S HN 0.626 nan 8.310 nan 0.000 0.678 557 C N 1.046 120.263 119.300 -0.138 0.000 4.549 557 C HA -0.016 4.472 4.460 0.047 0.000 0.290 557 C C 0.917 175.875 174.990 -0.053 0.000 1.328 557 C CA -0.053 58.880 59.018 -0.141 0.000 2.002 557 C CB -2.435 25.153 27.740 -0.254 0.000 1.238 557 C HN 0.976 nan 8.230 nan 0.000 0.780 558 G N -0.141 108.629 108.800 -0.049 0.000 2.507 558 G HA2 0.656 4.644 3.960 0.047 0.000 0.271 558 G HA3 0.656 4.644 3.960 0.047 0.000 0.271 558 G C 0.540 175.445 174.900 0.009 0.000 1.189 558 G CA 0.745 45.809 45.100 -0.061 0.000 0.859 558 G HN 2.183 nan 8.290 nan 0.000 0.542 562 E N 0.528 120.782 120.200 0.089 0.000 2.153 562 E HA -0.086 4.293 4.350 0.047 0.000 0.194 562 E C 1.383 177.876 176.600 -0.178 0.000 0.988 562 E CA 1.666 58.043 56.400 -0.040 0.000 0.811 562 E CB -0.199 29.453 29.700 -0.080 0.000 0.746 562 E HN 0.371 nan 8.360 nan 0.000 0.466 563 Y N -1.488 118.723 120.300 -0.150 0.000 2.145 563 Y HA -0.207 4.371 4.550 0.047 0.000 0.286 563 Y C 1.664 177.048 175.900 -0.861 0.000 1.145 563 Y CA 1.104 58.893 58.100 -0.519 0.000 1.148 563 Y CB -0.200 38.117 38.460 -0.239 0.000 0.981 563 Y HN 0.125 nan 8.280 nan 0.000 0.507 564 W N 0.460 121.744 121.300 -0.025 0.000 2.699 564 W HA -0.039 4.649 4.660 0.046 0.000 0.249 564 W C 1.930 178.409 176.519 -0.068 0.000 1.280 564 W CA 0.798 58.155 57.345 0.021 0.000 1.345 564 W CB -0.171 29.361 29.460 0.121 0.000 1.128 564 W HN 0.139 nan 8.180 nan 0.000 0.642 565 E N -0.284 119.923 120.200 0.011 0.000 2.152 565 E HA -0.158 4.221 4.350 0.047 0.000 0.192 565 E C 2.053 178.606 176.600 -0.079 0.000 0.983 565 E CA 1.292 57.694 56.400 0.002 0.000 0.818 565 E CB -0.313 29.384 29.700 -0.006 0.000 0.758 565 E HN 0.132 nan 8.360 nan 0.000 0.467 566 V N 0.662 120.429 119.914 -0.245 0.000 2.346 566 V HA -0.182 3.966 4.120 0.047 0.000 0.244 566 V C 1.928 177.888 176.094 -0.222 0.000 1.037 566 V CA 1.468 63.599 62.300 -0.281 0.000 1.029 566 V CB -0.529 31.023 31.823 -0.452 0.000 0.663 566 V HN 0.238 nan 8.190 nan 0.000 0.454 567 F N 0.517 120.279 119.950 -0.313 0.000 2.171 567 F HA -0.188 4.368 4.527 0.047 0.000 0.300 567 F C 2.513 178.181 175.800 -0.220 0.000 1.090 567 F CA 1.493 59.241 58.000 -0.421 0.000 1.293 567 F CB -0.156 38.237 39.000 -1.013 0.000 1.013 567 F HN 0.192 nan 8.300 nan 0.000 0.486 568 E N -0.134 120.086 120.200 0.033 0.000 2.285 568 E HA -0.125 4.254 4.350 0.047 0.000 0.194 568 E C 1.003 177.696 176.600 0.155 0.000 0.997 568 E CA 0.822 57.227 56.400 0.007 0.000 0.845 568 E CB -0.138 29.519 29.700 -0.072 0.000 0.782 568 E HN 0.475 nan 8.360 nan 0.000 0.491 569 N N -0.095 118.661 118.700 0.094 0.000 2.205 569 N HA 0.021 4.789 4.740 0.047 0.000 0.201 569 N C -0.604 174.947 175.510 0.069 0.000 1.128 569 N CA 0.140 53.247 53.050 0.095 0.000 0.867 569 N CB 0.841 39.368 38.487 0.067 0.000 0.996 569 N HN -0.113 nan 8.380 nan 0.000 0.503 570 E N 1.336 121.573 120.200 0.062 0.000 2.102 570 E HA 0.307 4.685 4.350 0.047 0.000 0.263 570 E C -2.286 174.366 176.600 0.086 0.000 0.894 570 E CA -1.986 54.454 56.400 0.066 0.000 0.746 570 E CB 1.255 30.991 29.700 0.059 0.000 1.129 570 E HN 0.076 nan 8.360 nan 0.000 0.416 574 Q N 1.073 120.809 119.800 -0.108 0.000 2.211 574 Q HA 0.443 4.811 4.340 0.047 0.000 0.231 574 Q C 1.112 176.713 176.000 -0.665 0.000 0.865 574 Q CA 0.523 56.179 55.803 -0.245 0.000 0.997 574 Q CB 0.692 29.404 28.738 -0.043 0.000 1.101 574 Q HN 1.878 nan 8.270 nan 0.000 0.468 575 G N -0.375 107.417 108.800 -1.680 0.000 2.475 575 G HA2 0.048 4.036 3.960 0.047 0.000 0.223 575 G HA3 0.048 4.036 3.960 0.047 0.000 0.223 575 G C -0.035 173.996 174.900 -1.448 0.000 1.201 575 G CA -0.657 43.045 45.100 -2.330 0.000 0.962 575 G HN 0.711 nan 8.290 nan 0.000 0.586 576 G N -2.769 105.582 108.800 -0.748 0.000 2.333 576 G HA2 0.546 4.534 3.960 0.047 0.000 0.288 576 G HA3 0.546 4.534 3.960 0.047 0.000 0.288 576 G C -1.186 173.761 174.900 0.078 0.000 1.286 576 G CA 0.536 45.393 45.100 -0.404 0.000 0.865 576 G HN 1.899 nan 8.290 nan 0.000 0.506 577 C N 0.847 120.285 119.300 0.231 0.000 2.301 577 C HA 0.628 5.117 4.460 0.047 0.000 0.323 577 C C 0.969 176.174 174.990 0.359 0.000 1.265 577 C CA -0.506 58.703 59.018 0.319 0.000 1.503 577 C CB -0.577 27.260 27.740 0.161 0.000 2.195 577 C HN 0.598 nan 8.230 nan 0.000 0.477 578 I N 3.064 123.758 120.570 0.207 0.000 2.815 578 I HA -0.049 4.149 4.170 0.047 0.000 0.291 578 I C 0.612 176.734 176.117 0.008 0.000 1.209 578 I CA 0.498 61.695 61.300 -0.171 0.000 1.431 578 I CB 0.529 38.411 38.000 -0.196 0.000 1.351 578 I HN 0.687 nan 8.210 nan 0.000 0.585 579 W N 7.452 128.705 121.300 -0.077 0.000 2.437 579 W HA 0.159 4.847 4.660 0.047 0.000 0.312 579 W C -0.470 176.032 176.519 -0.027 0.000 1.242 579 W CA -0.200 57.173 57.345 0.047 0.000 1.340 579 W CB 0.504 30.130 29.460 0.277 0.000 1.327 579 W HN 0.622 nan 8.180 nan 0.000 0.476 580 D N 4.614 124.311 120.400 -1.172 0.000 7.414 580 D HA -0.267 4.401 4.640 0.047 0.000 0.249 580 D C 0.540 176.622 176.300 -0.363 0.000 2.075 580 D CA 0.833 54.272 54.000 -0.936 0.000 1.907 580 D CB -0.898 39.304 40.800 -0.997 0.000 0.774 580 D HN 0.657 nan 8.370 nan 0.000 0.482 581 W N 4.352 125.417 121.300 -0.393 0.000 2.408 581 W HA 0.104 4.793 4.660 0.048 0.000 0.311 581 W C 0.274 176.672 176.519 -0.202 0.000 1.190 581 W CA 1.156 58.359 57.345 -0.236 0.000 1.321 581 W CB 0.197 29.541 29.460 -0.192 0.000 1.143 581 W HN 0.351 nan 8.180 nan 0.000 0.501 582 V N 3.076 122.794 119.914 -0.327 0.000 2.656 582 V HA 0.244 4.393 4.120 0.047 0.000 0.307 582 V C -0.767 175.131 176.094 -0.328 0.000 1.051 582 V CA -0.808 61.246 62.300 -0.410 0.000 0.893 582 V CB 1.481 33.145 31.823 -0.265 0.000 0.999 582 V HN -0.095 nan 8.190 nan 0.000 0.426 583 D N 4.453 124.641 120.400 -0.353 0.000 2.488 583 D HA 0.092 4.760 4.640 0.047 0.000 0.238 583 D C 0.161 176.125 176.300 -0.561 0.000 1.138 583 D CA 0.633 54.408 54.000 -0.375 0.000 0.873 583 D CB 0.900 41.472 40.800 -0.380 0.000 1.183 583 D HN 0.617 nan 8.370 nan 0.000 0.458 584 Q N 2.171 121.618 119.800 -0.588 0.000 3.135 584 Q HA 0.174 4.542 4.340 0.047 0.000 0.344 584 Q C -0.419 175.280 176.000 -0.502 0.000 1.321 584 Q CA -0.309 54.906 55.803 -0.981 0.000 1.050 584 Q CB 0.255 28.707 28.738 -0.476 0.000 1.498 584 Q HN 0.234 nan 8.270 nan 0.000 0.503 585 N N 0.448 118.850 118.700 -0.497 0.000 2.362 585 N HA 0.485 5.254 4.740 0.047 0.000 0.299 585 N C -0.991 174.418 175.510 -0.168 0.000 1.170 585 N CA -0.319 52.641 53.050 -0.149 0.000 0.825 585 N CB 1.235 39.645 38.487 -0.127 0.000 1.299 585 N HN 0.055 nan 8.380 nan 0.000 0.502 586 F N 0.149 120.331 119.950 0.386 0.000 2.522 586 F HA 0.453 5.008 4.527 0.047 0.000 0.324 586 F C 0.858 176.926 175.800 0.447 0.000 1.077 586 F CA -0.874 57.312 58.000 0.309 0.000 0.944 586 F CB 1.390 40.439 39.000 0.081 0.000 1.175 586 F HN 0.132 nan 8.300 nan 0.000 0.468 587 R N 2.054 122.840 120.500 0.477 0.000 2.265 587 R HA 0.421 4.789 4.340 0.047 0.000 0.319 587 R C -0.935 175.321 176.300 -0.072 0.000 1.006 587 R CA -0.304 55.835 56.100 0.066 0.000 0.880 587 R CB 0.694 30.878 30.300 -0.193 0.000 1.077 587 R HN 0.596 nan 8.270 nan 0.000 0.454 588 E N 4.184 124.199 120.200 -0.309 0.000 2.359 588 E HA 0.414 4.792 4.350 0.047 0.000 0.266 588 E C -0.655 175.762 176.600 -0.306 0.000 0.920 588 E CA -0.873 55.312 56.400 -0.358 0.000 0.788 588 E CB 2.241 31.620 29.700 -0.534 0.000 1.279 588 E HN 0.517 nan 8.360 nan 0.000 0.438 589 I N 1.640 122.165 120.570 -0.075 0.000 2.466 589 I HA 0.155 4.353 4.170 0.047 0.000 0.289 589 I C -0.153 176.062 176.117 0.164 0.000 1.026 589 I CA -0.946 60.401 61.300 0.079 0.000 1.078 589 I CB 1.630 39.654 38.000 0.040 0.000 1.249 589 I HN 0.419 nan 8.210 nan 0.000 0.429 590 D N 5.105 125.642 120.400 0.229 0.000 2.433 590 D HA 0.178 4.846 4.640 0.047 0.000 0.255 590 D C 0.704 177.032 176.300 0.046 0.000 1.226 590 D CA -0.527 53.551 54.000 0.130 0.000 1.015 590 D CB 0.791 41.606 40.800 0.025 0.000 1.091 590 D HN 0.364 nan 8.370 nan 0.000 0.527 591 K N -0.876 119.531 120.400 0.011 0.000 2.218 591 K HA -0.117 4.231 4.320 0.047 0.000 0.205 591 K C 0.382 176.979 176.600 -0.006 0.000 1.046 591 K CA 1.394 57.680 56.287 -0.002 0.000 0.933 591 K CB -0.136 32.355 32.500 -0.016 0.000 0.728 591 K HN 0.415 nan 8.250 nan 0.000 0.454 592 D N -0.600 119.793 120.400 -0.011 0.000 2.342 592 D HA 0.072 4.741 4.640 0.047 0.000 0.221 592 D C 0.831 177.130 176.300 -0.002 0.000 1.101 592 D CA 0.508 54.500 54.000 -0.013 0.000 0.837 592 D CB 0.866 41.649 40.800 -0.028 0.000 0.938 592 D HN 0.362 nan 8.370 nan 0.000 0.508 593 G N 1.735 110.543 108.800 0.014 0.000 2.148 593 G HA2 -0.315 3.673 3.960 0.047 0.000 0.254 593 G HA3 -0.315 3.673 3.960 0.047 0.000 0.254 593 G C 0.208 175.134 174.900 0.044 0.000 0.981 593 G CA -0.021 45.096 45.100 0.028 0.000 0.670 593 G HN 0.290 nan 8.290 nan 0.000 0.528 594 K N 0.963 121.379 120.400 0.026 0.000 2.211 594 K HA 0.388 4.736 4.320 0.047 0.000 0.275 594 K C 0.931 177.568 176.600 0.062 0.000 1.024 594 K CA -0.749 55.528 56.287 -0.016 0.000 0.887 594 K CB 0.912 33.353 32.500 -0.099 0.000 1.084 594 K HN 0.439 nan 8.250 nan 0.000 0.463 595 W N 4.312 125.586 121.300 -0.043 0.000 2.215 595 W HA 0.397 5.085 4.660 0.048 0.000 0.342 595 W C -0.715 175.800 176.519 -0.007 0.000 1.237 595 W CA -0.761 56.530 57.345 -0.091 0.000 1.283 595 W CB -0.143 29.157 29.460 -0.266 0.000 1.131 595 W HN 0.665 nan 8.180 nan 0.000 0.606 596 Y N -1.511 118.790 120.300 0.001 0.000 2.641 596 Y HA 0.509 5.087 4.550 0.047 0.000 0.333 596 Y C -1.726 174.250 175.900 0.128 0.000 1.174 596 Y CA -2.542 55.470 58.100 -0.146 0.000 1.057 596 Y CB 0.467 38.864 38.460 -0.105 0.000 1.322 596 Y HN 0.497 nan 8.280 nan 0.000 0.457 597 W N 2.286 123.828 121.300 0.403 0.000 2.315 597 W HA 0.572 5.259 4.660 0.046 0.000 0.316 597 W C -0.008 176.684 176.519 0.288 0.000 1.211 597 W CA -0.373 57.163 57.345 0.320 0.000 1.201 597 W CB 2.042 31.714 29.460 0.353 0.000 1.184 597 W HN 0.705 nan 8.180 nan 0.000 0.544 598 T N 0.238 115.100 114.554 0.514 0.000 2.952 598 T HA 0.739 5.117 4.350 0.047 0.000 0.286 598 T C -0.800 174.195 174.700 0.492 0.000 1.024 598 T CA -0.486 61.812 62.100 0.331 0.000 1.029 598 T CB 1.605 70.623 68.868 0.250 0.000 1.094 598 T HN 0.466 nan 8.240 nan 0.000 0.515 599 Y N -1.898 118.773 120.300 0.619 0.000 2.958 599 Y HA 0.728 5.306 4.550 0.047 0.000 0.315 599 Y C 0.385 176.589 175.900 0.505 0.000 1.541 599 Y CA -1.831 56.589 58.100 0.533 0.000 1.087 599 Y CB -0.086 38.504 38.460 0.217 0.000 1.593 599 Y HN 0.956 nan 8.280 nan 0.000 0.446 600 G N 0.095 109.290 108.800 0.658 0.000 2.224 600 G HA2 0.381 4.369 3.960 0.047 0.000 0.239 600 G HA3 0.381 4.369 3.960 0.047 0.000 0.239 600 G C 1.009 176.207 174.900 0.497 0.000 1.240 600 G CA 0.635 46.064 45.100 0.549 0.000 0.896 600 G HN 2.060 nan 8.290 nan 0.000 0.496 601 G N 2.118 111.162 108.800 0.406 0.000 2.176 601 G HA2 -0.257 3.732 3.960 0.047 0.000 0.253 601 G HA3 -0.257 3.732 3.960 0.047 0.000 0.253 601 G C 0.779 175.827 174.900 0.247 0.000 0.979 601 G CA 0.646 45.935 45.100 0.315 0.000 0.641 601 G HN 0.652 nan 8.290 nan 0.000 0.530 602 D N -0.581 119.951 120.400 0.221 0.000 2.349 602 D HA 0.226 4.894 4.640 0.047 0.000 0.215 602 D C 0.342 176.461 176.300 -0.300 0.000 1.016 602 D CA 0.622 54.573 54.000 -0.081 0.000 0.870 602 D CB 0.095 40.775 40.800 -0.200 0.000 0.917 602 D HN 0.574 nan 8.370 nan 0.000 0.524 603 Y N -0.396 120.087 120.300 0.305 0.000 2.462 603 Y HA 0.520 5.099 4.550 0.047 0.000 0.346 603 Y C 1.078 177.109 175.900 0.218 0.000 0.976 603 Y CA -0.704 57.533 58.100 0.228 0.000 1.044 603 Y CB 2.353 40.951 38.460 0.230 0.000 1.230 603 Y HN -0.012 nan 8.280 nan 0.000 0.455 604 G N 2.353 111.338 108.800 0.309 0.000 2.685 604 G HA2 -0.063 3.925 3.960 0.047 0.000 0.387 604 G HA3 -0.063 3.925 3.960 0.047 0.000 0.387 604 G C -2.954 172.047 174.900 0.169 0.000 1.324 604 G CA -1.240 44.004 45.100 0.240 0.000 0.878 604 G HN 0.564 nan 8.290 nan 0.000 0.527 605 P HA 0.367 nan 4.420 nan 0.000 0.276 605 P C -0.188 177.168 177.300 0.093 0.000 1.252 605 P CA -0.441 62.718 63.100 0.099 0.000 0.802 605 P CB 0.945 32.694 31.700 0.081 0.000 1.035 606 E N 0.429 120.671 120.200 0.069 0.000 2.465 606 E HA 0.080 4.458 4.350 0.047 0.000 0.260 606 E C 0.919 177.553 176.600 0.056 0.000 0.980 606 E CA 1.310 57.748 56.400 0.063 0.000 0.927 606 E CB -0.312 29.416 29.700 0.045 0.000 0.934 606 E HN 0.819 nan 8.360 nan 0.000 0.459 607 G N 4.324 113.162 108.800 0.064 0.000 2.176 607 G HA2 -0.272 3.716 3.960 0.047 0.000 0.232 607 G HA3 -0.272 3.716 3.960 0.047 0.000 0.232 607 G C 0.530 175.467 174.900 0.061 0.000 0.986 607 G CA 0.061 45.190 45.100 0.050 0.000 0.643 607 G HN 0.627 nan 8.290 nan 0.000 0.522 608 I N 2.445 123.077 120.570 0.102 0.000 2.752 608 I HA 0.310 4.508 4.170 0.047 0.000 0.287 608 I C -1.382 174.841 176.117 0.176 0.000 1.188 608 I CA -1.537 59.857 61.300 0.157 0.000 1.427 608 I CB 0.818 38.958 38.000 0.232 0.000 1.365 608 I HN -0.043 nan 8.210 nan 0.000 0.585 609 P HA 0.032 nan 4.420 nan 0.000 0.265 609 P C -1.358 176.030 177.300 0.147 0.000 1.187 609 P CA 0.199 63.402 63.100 0.171 0.000 0.766 609 P CB 0.626 32.457 31.700 0.219 0.000 0.820 610 S N 2.366 118.119 115.700 0.089 0.000 2.542 610 S HA 0.499 4.997 4.470 0.047 0.000 0.276 610 S C -1.439 173.204 174.600 0.073 0.000 1.148 610 S CA -0.526 57.723 58.200 0.083 0.000 0.886 610 S CB 0.261 63.562 63.200 0.169 0.000 1.109 610 S HN 0.204 nan 8.310 nan 0.000 0.458 611 F N 3.852 123.672 119.950 -0.217 0.000 2.850 611 F HA 0.537 5.093 4.527 0.048 0.000 0.329 611 F C 1.158 177.052 175.800 0.157 0.000 1.182 611 F CA 0.557 58.448 58.000 -0.181 0.000 1.270 611 F CB 0.181 38.911 39.000 -0.451 0.000 0.979 611 F HN 1.171 nan 8.300 nan 0.000 0.506 612 G N 2.440 111.343 108.800 0.172 0.000 2.614 612 G HA2 -0.485 3.503 3.960 0.047 0.000 0.303 612 G HA3 -0.485 3.503 3.960 0.047 0.000 0.303 612 G C 0.890 175.825 174.900 0.059 0.000 1.270 612 G CA 0.675 45.874 45.100 0.165 0.000 0.988 612 G HN 0.581 nan 8.290 nan 0.000 0.551 613 N N 0.765 119.148 118.700 -0.528 0.000 2.521 613 N HA 0.173 4.941 4.740 0.047 0.000 0.188 613 N C 1.501 176.793 175.510 -0.363 0.000 1.146 613 N CA 1.210 53.767 53.050 -0.822 0.000 0.893 613 N CB -0.381 37.398 38.487 -1.179 0.000 0.975 613 N HN 0.456 nan 8.380 nan 0.000 0.451 614 F N 0.783 120.675 119.950 -0.096 0.000 2.771 614 F HA 0.009 4.564 4.527 0.047 0.000 0.299 614 F C 1.769 177.596 175.800 0.044 0.000 1.177 614 F CA 0.105 58.161 58.000 0.094 0.000 1.450 614 F CB -0.171 39.030 39.000 0.335 0.000 1.114 614 F HN 0.278 nan 8.300 nan 0.000 0.587 615 C N -1.817 117.309 119.300 -0.289 0.000 2.594 615 C HA 0.430 4.918 4.460 0.047 0.000 0.265 615 C C 1.595 176.419 174.990 -0.277 0.000 1.351 615 C CA -0.098 58.558 59.018 -0.603 0.000 1.744 615 C CB -1.358 25.494 27.740 -1.480 0.000 1.890 615 C HN 0.308 nan 8.230 nan 0.000 0.551 616 G N 1.915 110.591 108.800 -0.208 0.000 2.741 616 G HA2 0.446 4.434 3.960 0.047 0.000 0.336 616 G HA3 0.446 4.434 3.960 0.047 0.000 0.336 616 G C -0.017 174.774 174.900 -0.183 0.000 1.022 616 G CA -0.265 44.717 45.100 -0.197 0.000 1.193 616 G HN 0.496 nan 8.290 nan 0.000 0.455 617 N N 1.812 120.412 118.700 -0.168 0.000 2.241 617 N HA 0.118 4.886 4.740 0.047 0.000 0.238 617 N C 1.037 176.380 175.510 -0.278 0.000 1.244 617 N CA -0.307 52.602 53.050 -0.235 0.000 0.880 617 N CB 1.649 40.051 38.487 -0.142 0.000 1.179 617 N HN 0.508 nan 8.380 nan 0.000 0.513 618 G N 0.058 108.728 108.800 -0.218 0.000 2.599 618 G HA2 0.385 4.373 3.960 0.047 0.000 0.264 618 G HA3 0.385 4.373 3.960 0.047 0.000 0.264 618 G C 0.937 175.825 174.900 -0.021 0.000 1.200 618 G CA -0.487 44.481 45.100 -0.220 0.000 0.896 618 G HN 0.124 nan 8.290 nan 0.000 0.536 619 L N -0.441 120.673 121.223 -0.181 0.000 2.418 619 L HA 0.158 4.526 4.340 0.047 0.000 0.218 619 L C 0.692 177.410 176.870 -0.253 0.000 1.125 619 L CA 0.261 55.060 54.840 -0.069 0.000 0.835 619 L CB -0.240 41.678 42.059 -0.235 0.000 0.953 619 L HN 0.381 nan 8.230 nan 0.000 0.454 620 V N -3.747 115.836 119.914 -0.552 0.000 3.078 620 V HA 0.503 4.651 4.120 0.047 0.000 0.311 620 V C -0.544 175.150 176.094 -0.668 0.000 1.138 620 V CA -1.325 60.529 62.300 -0.744 0.000 1.007 620 V CB 1.647 32.951 31.823 -0.865 0.000 1.045 620 V HN 0.209 nan 8.190 nan 0.000 0.432 621 N N 2.364 120.617 118.700 -0.745 0.000 2.327 621 N HA 0.421 5.189 4.740 0.047 0.000 0.257 621 N C 1.211 176.441 175.510 -0.467 0.000 1.281 621 N CA 0.182 52.908 53.050 -0.541 0.000 0.942 621 N CB 0.648 38.886 38.487 -0.415 0.000 1.199 621 N HN 1.139 nan 8.380 nan 0.000 0.532 622 A N -0.468 121.983 122.820 -0.614 0.000 1.986 622 A HA -0.126 4.222 4.320 0.047 0.000 0.220 622 A C 1.596 179.105 177.584 -0.124 0.000 1.171 622 A CA 2.203 54.030 52.037 -0.350 0.000 0.640 622 A CB -1.169 17.577 19.000 -0.422 0.000 0.811 622 A HN 0.877 nan 8.150 nan 0.000 0.451 623 V N -5.318 114.557 119.914 -0.065 0.000 3.331 623 V HA 0.468 4.616 4.120 0.047 0.000 0.332 623 V C 0.648 176.708 176.094 -0.057 0.000 1.341 623 V CA 0.167 62.468 62.300 0.002 0.000 1.218 623 V CB -1.000 30.868 31.823 0.075 0.000 1.152 623 V HN 0.445 nan 8.190 nan 0.000 0.445 624 R N 0.080 120.499 120.500 -0.135 0.000 3.770 624 R HA -0.179 4.189 4.340 0.047 0.000 0.305 624 R C -0.018 176.177 176.300 -0.176 0.000 1.184 624 R CA 1.245 57.244 56.100 -0.169 0.000 0.823 624 R CB -2.534 27.741 30.300 -0.041 0.000 1.285 624 R HN 0.870 nan 8.270 nan 0.000 0.499 625 E N 0.687 120.771 120.200 -0.193 0.000 2.227 625 E HA 0.249 4.627 4.350 0.047 0.000 0.282 625 E C -2.265 174.161 176.600 -0.290 0.000 1.015 625 E CA -2.098 54.208 56.400 -0.155 0.000 0.823 625 E CB 0.928 30.582 29.700 -0.076 0.000 1.081 625 E HN -0.050 nan 8.360 nan 0.000 0.396 626 P HA -0.040 nan 4.420 nan 0.000 0.268 626 P C -0.724 176.392 177.300 -0.307 0.000 1.205 626 P CA 0.370 63.286 63.100 -0.306 0.000 0.771 626 P CB 0.498 32.086 31.700 -0.186 0.000 0.858 627 H N 3.641 122.523 119.070 -0.314 0.000 2.505 627 H HA 0.138 4.722 4.556 0.047 0.000 0.355 627 H C -1.384 173.587 175.328 -0.594 0.000 1.179 627 H CA -1.776 53.926 56.048 -0.578 0.000 1.343 627 H CB 0.089 29.401 29.762 -0.750 0.000 1.501 627 H HN 0.293 nan 8.280 nan 0.000 0.569 628 P HA -0.154 nan 4.420 nan 0.000 0.217 628 P C 1.220 178.437 177.300 -0.139 0.000 1.148 628 P CA 1.509 64.430 63.100 -0.299 0.000 0.828 628 P CB -0.045 31.517 31.700 -0.231 0.000 0.783 629 H N -1.590 117.439 119.070 -0.068 0.000 2.524 629 H HA 0.019 4.603 4.556 0.047 0.000 0.282 629 H C 1.820 177.089 175.328 -0.099 0.000 1.016 629 H CA 0.138 56.147 56.048 -0.066 0.000 1.270 629 H CB -0.713 29.003 29.762 -0.077 0.000 1.394 629 H HN 0.077 nan 8.280 nan 0.000 0.568 630 L N 1.642 122.960 121.223 0.158 0.000 2.141 630 L HA -0.087 4.282 4.340 0.047 0.000 0.209 630 L C 2.186 179.079 176.870 0.039 0.000 1.094 630 L CA 1.088 55.947 54.840 0.032 0.000 0.763 630 L CB -0.565 41.407 42.059 -0.145 0.000 0.908 630 L HN 0.289 nan 8.230 nan 0.000 0.437 631 L N -0.676 120.532 121.223 -0.024 0.000 2.141 631 L HA -0.162 4.206 4.340 0.047 0.000 0.209 631 L C 2.486 179.359 176.870 0.005 0.000 1.094 631 L CA 1.287 56.091 54.840 -0.060 0.000 0.763 631 L CB -0.464 41.282 42.059 -0.523 0.000 0.908 631 L HN 0.354 nan 8.230 nan 0.000 0.437 632 E N 0.197 120.407 120.200 0.016 0.000 2.107 632 E HA -0.142 4.237 4.350 0.047 0.000 0.191 632 E C 2.123 178.675 176.600 -0.079 0.000 0.982 632 E CA 0.910 57.320 56.400 0.018 0.000 0.809 632 E CB -0.006 29.711 29.700 0.027 0.000 0.756 632 E HN 0.144 nan 8.360 nan 0.000 0.459 633 V N 1.263 121.102 119.914 -0.125 0.000 2.287 633 V HA -0.292 3.857 4.120 0.047 0.000 0.248 633 V C 2.490 178.436 176.094 -0.246 0.000 1.053 633 V CA 2.237 64.341 62.300 -0.327 0.000 1.027 633 V CB -0.581 31.063 31.823 -0.298 0.000 0.646 633 V HN 0.334 nan 8.190 nan 0.000 0.447 634 K N 0.341 120.748 120.400 0.012 0.000 2.032 634 K HA -0.300 4.049 4.320 0.047 0.000 0.209 634 K C 2.252 178.848 176.600 -0.006 0.000 1.048 634 K CA 2.121 58.474 56.287 0.108 0.000 0.927 634 K CB -0.162 32.467 32.500 0.215 0.000 0.712 634 K HN 0.289 nan 8.250 nan 0.000 0.441 635 K N 0.983 121.351 120.400 -0.054 0.000 2.057 635 K HA -0.081 4.268 4.320 0.047 0.000 0.207 635 K C 1.857 178.327 176.600 -0.218 0.000 1.049 635 K CA 1.334 57.502 56.287 -0.198 0.000 0.931 635 K CB -0.146 32.242 32.500 -0.186 0.000 0.714 635 K HN 0.171 nan 8.250 nan 0.000 0.440 636 I N 0.102 120.543 120.570 -0.215 0.000 2.439 636 I HA -0.174 4.024 4.170 0.047 0.000 0.251 636 I C 1.589 177.502 176.117 -0.339 0.000 1.139 636 I CA 1.098 62.236 61.300 -0.270 0.000 1.438 636 I CB -0.988 36.834 38.000 -0.296 0.000 1.085 636 I HN 0.113 nan 8.210 nan 0.000 0.427 637 Y N 2.045 122.076 120.300 -0.449 0.000 2.546 637 Y HA 0.017 4.595 4.550 0.048 0.000 0.287 637 Y C 1.576 177.256 175.900 -0.367 0.000 1.158 637 Y CA -0.785 57.011 58.100 -0.506 0.000 1.307 637 Y CB -0.881 37.387 38.460 -0.320 0.000 1.036 637 Y HN 0.443 nan 8.280 nan 0.000 0.532 638 Q N 0.227 119.938 119.800 -0.148 0.000 2.386 638 Q HA -0.059 4.310 4.340 0.047 0.000 0.282 638 Q C -0.387 175.446 176.000 -0.279 0.000 1.050 638 Q CA 0.481 56.174 55.803 -0.184 0.000 0.918 638 Q CB 0.224 28.853 28.738 -0.182 0.000 1.266 638 Q HN 0.268 nan 8.270 nan 0.000 0.423 639 N N 1.854 120.299 118.700 -0.425 0.000 2.276 639 N HA 0.294 5.062 4.740 0.047 0.000 0.212 639 N C -1.050 174.159 175.510 -0.501 0.000 1.127 639 N CA -0.015 52.683 53.050 -0.587 0.000 0.834 639 N CB 0.449 38.091 38.487 -1.409 0.000 1.014 639 N HN 0.461 nan 8.380 nan 0.000 0.491 640 I N 0.743 121.086 120.570 -0.379 0.000 2.531 640 I HA 0.263 4.461 4.170 0.047 0.000 0.283 640 I C -0.943 175.046 176.117 -0.213 0.000 1.083 640 I CA -0.663 60.374 61.300 -0.438 0.000 1.071 640 I CB 1.508 38.934 38.000 -0.955 0.000 1.210 640 I HN -0.155 nan 8.210 nan 0.000 0.450 641 K N 5.110 125.494 120.400 -0.026 0.000 2.397 641 K HA 0.884 5.232 4.320 0.047 0.000 0.253 641 K C -0.878 175.803 176.600 0.135 0.000 0.932 641 K CA -0.662 55.677 56.287 0.087 0.000 0.795 641 K CB 3.138 35.756 32.500 0.197 0.000 1.159 641 K HN 0.604 nan 8.250 nan 0.000 0.424 642 A N 1.350 124.308 122.820 0.230 0.000 2.384 642 A HA 0.803 5.151 4.320 0.047 0.000 0.312 642 A C -0.618 177.231 177.584 0.443 0.000 1.113 642 A CA -0.676 51.547 52.037 0.310 0.000 0.779 642 A CB 1.400 20.647 19.000 0.410 0.000 1.307 642 A HN 0.693 nan 8.150 nan 0.000 0.436 643 T N -0.998 113.706 114.554 0.250 0.000 2.912 643 T HA 0.518 4.897 4.350 0.047 0.000 0.299 643 T C -0.873 173.641 174.700 -0.310 0.000 1.052 643 T CA -0.529 61.652 62.100 0.135 0.000 0.996 643 T CB 1.179 70.109 68.868 0.102 0.000 1.070 643 T HN 0.861 nan 8.240 nan 0.000 0.465 644 L N 3.006 123.776 121.223 -0.755 0.000 2.363 644 L HA 0.462 4.830 4.340 0.047 0.000 0.286 644 L C 1.408 178.098 176.870 -0.301 0.000 1.106 644 L CA 0.483 54.878 54.840 -0.742 0.000 0.859 644 L CB 0.422 41.913 42.059 -0.947 0.000 1.223 644 L HN 0.944 nan 8.230 nan 0.000 0.446 645 S N 2.595 118.169 115.700 -0.210 0.000 2.377 645 S HA -0.020 4.478 4.470 0.047 0.000 0.223 645 S C 0.453 174.993 174.600 -0.100 0.000 1.030 645 S CA 0.801 58.931 58.200 -0.116 0.000 0.970 645 S CB 0.020 63.168 63.200 -0.086 0.000 0.830 645 S HN 0.799 nan 8.310 nan 0.000 0.473 646 D N 0.116 120.446 120.400 -0.117 0.000 2.469 646 D HA 0.252 4.920 4.640 0.047 0.000 0.251 646 D C 0.556 176.796 176.300 -0.099 0.000 1.173 646 D CA -0.607 53.341 54.000 -0.088 0.000 0.882 646 D CB 1.046 41.802 40.800 -0.073 0.000 1.129 646 D HN 0.346 nan 8.370 nan 0.000 0.549 647 R N 2.745 123.199 120.500 -0.076 0.000 2.313 647 R HA 0.125 4.493 4.340 0.047 0.000 0.199 647 R C 1.398 177.674 176.300 -0.040 0.000 0.958 647 R CA 0.143 56.205 56.100 -0.062 0.000 1.047 647 R CB 0.451 30.730 30.300 -0.035 0.000 0.955 647 R HN 0.177 nan 8.270 nan 0.000 0.481 648 K N 1.313 121.689 120.400 -0.040 0.000 2.063 648 K HA 0.064 4.412 4.320 0.047 0.000 0.204 648 K C 0.993 177.573 176.600 -0.034 0.000 1.039 648 K CA 0.749 57.019 56.287 -0.027 0.000 0.957 648 K CB 0.287 32.774 32.500 -0.022 0.000 0.764 648 K HN 0.117 nan 8.250 nan 0.000 0.447 649 N N 1.348 120.019 118.700 -0.048 0.000 2.270 649 N HA 0.084 4.852 4.740 0.047 0.000 0.198 649 N C -0.338 175.114 175.510 -0.096 0.000 1.117 649 N CA 0.245 53.260 53.050 -0.059 0.000 0.845 649 N CB 0.444 38.899 38.487 -0.054 0.000 0.980 649 N HN 0.213 nan 8.380 nan 0.000 0.486 650 L N 0.474 121.634 121.223 -0.104 0.000 3.677 650 L HA -0.246 4.122 4.340 0.047 0.000 0.464 650 L C 0.306 177.062 176.870 -0.190 0.000 1.278 650 L CA 0.563 55.313 54.840 -0.151 0.000 0.806 650 L CB -1.362 40.597 42.059 -0.166 0.000 1.610 650 L HN 0.183 nan 8.230 nan 0.000 0.867 651 K N 1.506 121.811 120.400 -0.158 0.000 2.227 651 K HA 0.583 4.931 4.320 0.047 0.000 0.280 651 K C 0.014 176.513 176.600 -0.169 0.000 1.041 651 K CA -0.532 55.668 56.287 -0.146 0.000 0.905 651 K CB 1.341 33.779 32.500 -0.103 0.000 1.068 651 K HN 0.200 nan 8.250 nan 0.000 0.470 652 V N 1.247 121.070 119.914 -0.152 0.000 2.815 652 V HA 0.523 4.671 4.120 0.047 0.000 0.314 652 V C -0.811 175.247 176.094 -0.061 0.000 1.064 652 V CA -1.165 61.046 62.300 -0.149 0.000 0.952 652 V CB 1.415 33.166 31.823 -0.120 0.000 1.020 652 V HN 0.921 nan 8.190 nan 0.000 0.439 653 C N 5.380 124.655 119.300 -0.041 0.000 2.264 653 C HA 0.718 5.206 4.460 0.047 0.000 0.324 653 C C -0.103 174.913 174.990 0.043 0.000 1.267 653 C CA -0.459 58.557 59.018 -0.003 0.000 1.618 653 C CB -1.396 26.336 27.740 -0.013 0.000 2.278 653 C HN 0.825 nan 8.230 nan 0.000 0.499 654 I N 5.666 126.264 120.570 0.047 0.000 2.339 654 I HA 0.344 4.542 4.170 0.047 0.000 0.290 654 I C -0.204 175.884 176.117 -0.048 0.000 0.994 654 I CA -0.285 61.047 61.300 0.053 0.000 1.191 654 I CB 1.354 39.434 38.000 0.133 0.000 1.343 654 I HN 0.546 nan 8.210 nan 0.000 0.458 655 K N 5.661 125.997 120.400 -0.106 0.000 2.213 655 K HA 0.261 4.609 4.320 0.047 0.000 0.270 655 K C -0.392 175.997 176.600 -0.350 0.000 1.002 655 K CA -0.440 55.679 56.287 -0.280 0.000 0.868 655 K CB 0.826 33.087 32.500 -0.397 0.000 1.093 655 K HN 0.437 nan 8.250 nan 0.000 0.454 656 N N 4.446 122.948 118.700 -0.330 0.000 2.437 656 N HA 0.097 4.865 4.740 0.047 0.000 0.243 656 N C -0.620 174.737 175.510 -0.255 0.000 1.041 656 N CA -0.380 52.532 53.050 -0.230 0.000 0.940 656 N CB 0.249 38.686 38.487 -0.085 0.000 1.133 656 N HN 0.737 nan 8.380 nan 0.000 0.506 657 W N 2.519 123.709 121.300 -0.184 0.000 3.256 657 W HA 0.187 4.875 4.660 0.047 0.000 0.269 657 W C 0.019 176.464 176.519 -0.123 0.000 1.310 657 W CA -0.505 56.754 57.345 -0.144 0.000 1.673 657 W CB 0.039 29.367 29.460 -0.220 0.000 1.115 657 W HN 0.466 nan 8.180 nan 0.000 0.686 658 Y N 1.688 122.065 120.300 0.128 0.000 2.511 658 Y HA -0.111 4.468 4.550 0.047 0.000 0.347 658 Y C 1.608 177.499 175.900 -0.015 0.000 1.257 658 Y CA 0.427 58.560 58.100 0.055 0.000 1.469 658 Y CB 0.445 38.912 38.460 0.013 0.000 1.353 658 Y HN -0.052 nan 8.280 nan 0.000 0.617 659 D N 0.330 120.746 120.400 0.026 0.000 2.388 659 D HA 0.030 4.698 4.640 0.047 0.000 0.208 659 D C 0.182 175.901 176.300 -0.967 0.000 1.035 659 D CA 0.928 54.596 54.000 -0.552 0.000 0.875 659 D CB 0.319 40.711 40.800 -0.679 0.000 0.984 659 D HN 0.451 nan 8.370 nan 0.000 0.508 660 F N 0.415 120.404 119.950 0.065 0.000 2.859 660 F HA 0.257 4.812 4.527 0.047 0.000 0.324 660 F C 0.006 175.892 175.800 0.144 0.000 1.158 660 F CA -0.378 57.665 58.000 0.073 0.000 1.147 660 F CB 0.749 39.807 39.000 0.097 0.000 1.137 660 F HN -0.357 nan 8.300 nan 0.000 0.516 661 S N 0.496 116.319 115.700 0.205 0.000 2.538 661 S HA 0.288 4.787 4.470 0.047 0.000 0.288 661 S C -0.888 173.794 174.600 0.137 0.000 1.108 661 S CA -0.842 57.466 58.200 0.180 0.000 0.971 661 S CB 2.056 65.218 63.200 -0.063 0.000 1.041 661 S HN 0.187 nan 8.310 nan 0.000 0.483 662 N N 1.771 120.548 118.700 0.128 0.000 2.530 662 N HA 0.234 5.003 4.740 0.047 0.000 0.277 662 N C 0.793 176.414 175.510 0.183 0.000 1.168 662 N CA -0.359 52.762 53.050 0.118 0.000 0.979 662 N CB 0.729 39.267 38.487 0.084 0.000 1.141 662 N HN 0.616 nan 8.380 nan 0.000 0.459 663 L N 2.100 123.430 121.223 0.178 0.000 2.450 663 L HA -0.178 4.190 4.340 0.047 0.000 0.224 663 L C 1.332 178.400 176.870 0.329 0.000 1.149 663 L CA 0.678 55.667 54.840 0.248 0.000 0.816 663 L CB -0.584 41.547 42.059 0.120 0.000 0.932 663 L HN 0.634 nan 8.230 nan 0.000 0.449 664 N N -0.623 118.205 118.700 0.213 0.000 2.571 664 N HA -0.172 4.597 4.740 0.047 0.000 0.189 664 N C 1.095 176.678 175.510 0.121 0.000 1.154 664 N CA 0.600 53.753 53.050 0.172 0.000 0.907 664 N CB -0.268 38.284 38.487 0.108 0.000 0.977 664 N HN 0.361 nan 8.380 nan 0.000 0.449 665 E N -1.267 118.994 120.200 0.101 0.000 2.479 665 E HA 0.072 4.450 4.350 0.047 0.000 0.193 665 E C -0.639 175.735 176.600 -0.376 0.000 1.049 665 E CA 0.085 56.392 56.400 -0.154 0.000 0.870 665 E CB 0.127 29.663 29.700 -0.275 0.000 0.944 665 E HN 0.443 nan 8.360 nan 0.000 0.492 666 Y N -0.502 119.891 120.300 0.154 0.000 2.633 666 Y HA 0.400 4.978 4.550 0.047 0.000 0.339 666 Y C -0.018 176.064 175.900 0.303 0.000 1.045 666 Y CA -1.315 56.936 58.100 0.251 0.000 1.098 666 Y CB 1.341 40.008 38.460 0.345 0.000 1.296 666 Y HN -0.193 nan 8.280 nan 0.000 0.494 667 I N 2.772 123.627 120.570 0.475 0.000 2.509 667 I HA 0.279 4.477 4.170 0.047 0.000 0.293 667 I C -1.147 175.061 176.117 0.152 0.000 1.020 667 I CA -0.846 60.615 61.300 0.268 0.000 1.088 667 I CB 1.613 39.706 38.000 0.154 0.000 1.267 667 I HN 0.370 nan 8.210 nan 0.000 0.430 668 L N 7.332 128.476 121.223 -0.132 0.000 2.276 668 L HA 0.480 4.848 4.340 0.047 0.000 0.286 668 L C -0.298 176.431 176.870 -0.236 0.000 1.024 668 L CA -0.132 54.342 54.840 -0.610 0.000 0.826 668 L CB 0.496 41.929 42.059 -1.043 0.000 1.211 668 L HN 0.485 nan 8.230 nan 0.000 0.422 669 R N 6.595 126.974 120.500 -0.203 0.000 2.229 669 R HA 0.475 4.843 4.340 0.047 0.000 0.332 669 R C -1.108 175.168 176.300 -0.040 0.000 0.989 669 R CA -0.447 55.590 56.100 -0.105 0.000 0.842 669 R CB 1.105 31.349 30.300 -0.093 0.000 1.119 669 R HN 0.759 nan 8.270 nan 0.000 0.456 670 W N 2.573 123.796 121.300 -0.129 0.000 2.820 670 W HA 0.578 5.266 4.660 0.047 0.000 0.350 670 W C -1.060 175.436 176.519 -0.037 0.000 1.116 670 W CA -1.172 56.125 57.345 -0.080 0.000 1.146 670 W CB 0.962 30.378 29.460 -0.073 0.000 1.433 670 W HN 0.638 nan 8.180 nan 0.000 0.561 671 N N -0.789 118.023 118.700 0.186 0.000 3.127 671 N HA 0.494 5.263 4.740 0.047 0.000 0.239 671 N C -2.724 172.933 175.510 0.244 0.000 1.407 671 N CA -0.828 52.212 53.050 -0.018 0.000 0.891 671 N CB 1.934 40.345 38.487 -0.126 0.000 1.447 671 N HN 0.251 nan 8.380 nan 0.000 0.507 672 V N 0.251 120.266 119.914 0.167 0.000 2.487 672 V HA 0.560 4.708 4.120 0.047 0.000 0.298 672 V C -0.643 175.498 176.094 0.078 0.000 1.028 672 V CA -0.528 61.875 62.300 0.170 0.000 0.860 672 V CB 1.310 33.246 31.823 0.190 0.000 0.991 672 V HN 0.658 nan 8.190 nan 0.000 0.427 673 K N 2.695 123.141 120.400 0.078 0.000 2.371 673 K HA 0.699 5.047 4.320 0.047 0.000 0.251 673 K C 0.263 176.845 176.600 -0.030 0.000 0.934 673 K CA -0.580 55.734 56.287 0.046 0.000 0.798 673 K CB 2.564 35.118 32.500 0.091 0.000 1.204 673 K HN 0.821 nan 8.250 nan 0.000 0.427 674 G N 0.525 109.299 108.800 -0.043 0.000 2.580 674 G HA2 0.013 4.001 3.960 0.047 0.000 0.278 674 G HA3 0.013 4.001 3.960 0.047 0.000 0.278 674 G C 0.660 175.525 174.900 -0.059 0.000 1.212 674 G CA -0.367 44.669 45.100 -0.106 0.000 0.939 674 G HN 0.872 nan 8.290 nan 0.000 0.513 675 E N -0.870 119.285 120.200 -0.076 0.000 2.333 675 E HA -0.159 4.219 4.350 0.047 0.000 0.198 675 E C 1.038 177.741 176.600 0.170 0.000 1.007 675 E CA 1.424 57.886 56.400 0.103 0.000 0.845 675 E CB -0.026 29.726 29.700 0.086 0.000 0.766 675 E HN 0.475 nan 8.360 nan 0.000 0.507 676 D N -0.079 120.395 120.400 0.123 0.000 2.340 676 D HA 0.059 4.727 4.640 0.047 0.000 0.220 676 D C 1.407 177.764 176.300 0.095 0.000 1.039 676 D CA 0.595 54.679 54.000 0.141 0.000 0.866 676 D CB 0.241 41.105 40.800 0.108 0.000 0.913 676 D HN 0.354 nan 8.370 nan 0.000 0.523 677 G N 0.371 109.214 108.800 0.072 0.000 2.179 677 G HA2 -0.280 3.709 3.960 0.047 0.000 0.260 677 G HA3 -0.280 3.709 3.960 0.047 0.000 0.260 677 G C 0.488 175.395 174.900 0.010 0.000 0.977 677 G CA 0.555 45.671 45.100 0.028 0.000 0.641 677 G HN 0.815 nan 8.290 nan 0.000 0.533 678 T N -0.719 113.844 114.554 0.016 0.000 2.794 678 T HA 0.575 4.953 4.350 0.047 0.000 0.296 678 T C 0.467 175.163 174.700 -0.005 0.000 0.949 678 T CA -0.190 61.910 62.100 0.001 0.000 1.101 678 T CB 2.068 70.939 68.868 0.005 0.000 0.905 678 T HN 0.814 nan 8.240 nan 0.000 0.516 679 V N 5.864 125.766 119.914 -0.019 0.000 2.485 679 V HA 0.075 4.223 4.120 0.047 0.000 0.287 679 V C 1.370 177.449 176.094 -0.024 0.000 1.022 679 V CA 0.046 62.329 62.300 -0.028 0.000 1.067 679 V CB -0.087 31.702 31.823 -0.057 0.000 0.967 679 V HN 0.907 nan 8.190 nan 0.000 0.479 680 L N 4.195 125.412 121.223 -0.010 0.000 2.354 680 L HA 0.467 4.836 4.340 0.047 0.000 0.212 680 L C 0.910 177.782 176.870 0.004 0.000 1.091 680 L CA 0.920 55.761 54.840 0.002 0.000 0.828 680 L CB 0.064 42.132 42.059 0.016 0.000 0.973 680 L HN 0.775 nan 8.230 nan 0.000 0.461 681 A N 0.259 123.073 122.820 -0.010 0.000 2.605 681 A HA 0.677 5.025 4.320 0.047 0.000 0.294 681 A C -1.418 176.011 177.584 -0.258 0.000 1.062 681 A CA -0.506 51.506 52.037 -0.042 0.000 0.682 681 A CB 1.418 20.500 19.000 0.137 0.000 1.278 681 A HN 0.127 nan 8.150 nan 0.000 0.410 682 E N 0.281 120.148 120.200 -0.554 0.000 2.401 682 E HA 0.711 5.090 4.350 0.047 0.000 0.280 682 E C -0.316 175.559 176.600 -1.209 0.000 1.039 682 E CA -0.609 55.208 56.400 -0.972 0.000 0.814 682 E CB 1.582 30.984 29.700 -0.498 0.000 1.275 682 E HN 1.847 nan 8.360 nan 0.000 0.448 683 G N 0.136 107.985 108.800 -1.585 0.000 2.488 683 G HA2 0.583 4.571 3.960 0.047 0.000 0.301 683 G HA3 0.583 4.571 3.960 0.047 0.000 0.301 683 G C -1.467 173.103 174.900 -0.549 0.000 1.339 683 G CA -0.489 44.089 45.100 -0.870 0.000 0.803 683 G HN 0.479 nan 8.290 nan 0.000 0.482 684 T N 0.256 114.773 114.554 -0.062 0.000 2.971 684 T HA 0.672 5.050 4.350 0.047 0.000 0.304 684 T C -0.743 174.045 174.700 0.146 0.000 1.038 684 T CA -0.573 61.548 62.100 0.036 0.000 1.007 684 T CB 2.059 70.916 68.868 -0.019 0.000 1.055 684 T HN 0.654 nan 8.240 nan 0.000 0.451 685 K N 1.607 122.088 120.400 0.135 0.000 2.502 685 K HA 0.490 4.839 4.320 0.047 0.000 0.257 685 K C -1.348 175.305 176.600 0.088 0.000 0.938 685 K CA -0.668 55.686 56.287 0.112 0.000 0.819 685 K CB 2.035 34.604 32.500 0.115 0.000 1.333 685 K HN 0.552 nan 8.250 nan 0.000 0.434 686 E N 1.943 122.210 120.200 0.110 0.000 2.171 686 E HA 0.388 4.766 4.350 0.047 0.000 0.271 686 E C -1.201 175.497 176.600 0.162 0.000 0.916 686 E CA -0.994 55.496 56.400 0.151 0.000 0.774 686 E CB 2.269 32.042 29.700 0.122 0.000 1.128 686 E HN 0.218 nan 8.360 nan 0.000 0.403 687 V N 2.351 122.405 119.914 0.233 0.000 2.680 687 V HA 0.278 4.426 4.120 0.047 0.000 0.309 687 V C -0.397 175.803 176.094 0.176 0.000 1.052 687 V CA -1.042 61.380 62.300 0.203 0.000 0.908 687 V CB 2.145 34.128 31.823 0.267 0.000 1.001 687 V HN 0.630 nan 8.190 nan 0.000 0.431 688 D N 1.801 122.272 120.400 0.119 0.000 2.198 688 D HA 0.552 5.221 4.640 0.047 0.000 0.245 688 D C -0.826 175.519 176.300 0.076 0.000 1.079 688 D CA 0.147 54.202 54.000 0.092 0.000 0.854 688 D CB 1.756 42.595 40.800 0.064 0.000 1.148 688 D HN 0.687 nan 8.370 nan 0.000 0.456 689 C N 3.597 122.938 119.300 0.067 0.000 3.018 689 C HA 0.060 4.548 4.460 0.047 0.000 0.413 689 C C -0.485 174.523 174.990 0.030 0.000 1.015 689 C CA -0.729 58.311 59.018 0.037 0.000 1.233 689 C CB 0.582 28.338 27.740 0.026 0.000 1.630 689 C HN 0.535 nan 8.230 nan 0.000 0.532 690 E N 4.092 124.298 120.200 0.011 0.000 2.409 690 E HA 0.226 4.604 4.350 0.047 0.000 0.257 690 E C -2.203 174.383 176.600 -0.024 0.000 1.150 690 E CA -1.264 55.136 56.400 -0.001 0.000 0.942 690 E CB 0.268 29.959 29.700 -0.014 0.000 0.979 690 E HN 0.477 nan 8.360 nan 0.000 0.447 691 P HA -0.041 nan 4.420 nan 0.000 0.267 691 P C -0.321 176.916 177.300 -0.104 0.000 1.200 691 P CA 0.685 63.721 63.100 -0.107 0.000 0.772 691 P CB 0.173 31.710 31.700 -0.271 0.000 0.855 692 H N -1.802 117.158 119.070 -0.182 0.000 3.612 692 H HA -0.254 4.330 4.556 0.047 0.000 0.212 692 H C 0.473 175.629 175.328 -0.286 0.000 1.041 692 H CA 0.234 56.112 56.048 -0.283 0.000 1.205 692 H CB -1.383 28.273 29.762 -0.176 0.000 1.159 692 H HN 0.574 nan 8.280 nan 0.000 0.323 693 A N 1.339 124.104 122.820 -0.091 0.000 2.252 693 A HA 0.640 4.988 4.320 0.047 0.000 0.305 693 A C 0.842 178.340 177.584 -0.144 0.000 1.097 693 A CA 0.334 52.311 52.037 -0.100 0.000 0.849 693 A CB 0.948 19.916 19.000 -0.052 0.000 1.142 693 A HN 0.359 nan 8.150 nan 0.000 0.499 694 T N -2.459 112.030 114.554 -0.109 0.000 2.908 694 T HA 0.656 5.034 4.350 0.047 0.000 0.290 694 T C -0.852 173.821 174.700 -0.046 0.000 1.034 694 T CA -0.620 61.421 62.100 -0.098 0.000 1.010 694 T CB 1.273 70.082 68.868 -0.098 0.000 1.068 694 T HN 1.722 nan 8.240 nan 0.000 0.481 695 V N 0.935 120.835 119.914 -0.022 0.000 2.808 695 V HA 0.473 4.621 4.120 0.047 0.000 0.308 695 V C -1.690 174.413 176.094 0.015 0.000 1.099 695 V CA -0.780 61.523 62.300 0.005 0.000 0.920 695 V CB 2.129 33.970 31.823 0.030 0.000 1.014 695 V HN 1.081 nan 8.190 nan 0.000 0.425 696 D N 3.997 124.400 120.400 0.005 0.000 2.210 696 D HA 0.580 5.248 4.640 0.047 0.000 0.249 696 D C -0.839 175.458 176.300 -0.004 0.000 1.062 696 D CA 0.080 54.077 54.000 -0.005 0.000 0.891 696 D CB 2.204 42.993 40.800 -0.020 0.000 1.186 696 D HN 0.405 nan 8.370 nan 0.000 0.432 697 V N 1.934 121.835 119.914 -0.021 0.000 2.623 697 V HA 0.236 4.385 4.120 0.047 0.000 0.304 697 V C 0.019 176.049 176.094 -0.108 0.000 1.054 697 V CA -0.689 61.584 62.300 -0.044 0.000 0.882 697 V CB 2.186 33.995 31.823 -0.022 0.000 1.002 697 V HN 0.480 nan 8.190 nan 0.000 0.424 698 T N 6.161 120.647 114.554 -0.113 0.000 2.744 698 T HA 0.477 4.855 4.350 0.047 0.000 0.291 698 T C 0.938 175.502 174.700 -0.225 0.000 0.957 698 T CA -0.205 61.808 62.100 -0.146 0.000 1.002 698 T CB 1.022 69.835 68.868 -0.092 0.000 0.919 698 T HN 0.468 nan 8.240 nan 0.000 0.468 699 L N 2.271 123.286 121.223 -0.346 0.000 2.616 699 L HA 0.372 4.740 4.340 0.047 0.000 0.229 699 L C 1.306 177.968 176.870 -0.347 0.000 1.110 699 L CA -0.215 54.265 54.840 -0.600 0.000 0.884 699 L CB -0.336 41.061 42.059 -1.104 0.000 1.115 699 L HN 0.955 nan 8.230 nan 0.000 0.481 700 G N 0.665 109.354 108.800 -0.184 0.000 2.721 700 G HA2 -0.012 3.976 3.960 0.047 0.000 0.686 700 G HA3 -0.012 3.976 3.960 0.047 0.000 0.686 700 G C -0.162 174.713 174.900 -0.040 0.000 1.236 700 G CA -0.624 44.434 45.100 -0.071 0.000 0.786 700 G HN 0.342 nan 8.290 nan 0.000 0.616 701 A N 0.181 122.993 122.820 -0.013 0.000 2.483 701 A HA 0.639 4.987 4.320 0.047 0.000 0.238 701 A C 0.588 178.193 177.584 0.035 0.000 1.070 701 A CA 0.705 52.744 52.037 0.002 0.000 0.770 701 A CB 0.784 19.785 19.000 0.002 0.000 1.008 701 A HN 2.035 nan 8.150 nan 0.000 0.497 702 V N 3.183 123.121 119.914 0.041 0.000 2.569 702 V HA 0.230 4.378 4.120 0.047 0.000 0.301 702 V C -0.140 175.977 176.094 0.038 0.000 1.044 702 V CA -0.810 61.527 62.300 0.061 0.000 0.874 702 V CB 1.766 33.648 31.823 0.099 0.000 1.002 702 V HN 0.952 nan 8.190 nan 0.000 0.424 703 K N 4.815 125.234 120.400 0.032 0.000 2.350 703 K HA 0.538 4.886 4.320 0.047 0.000 0.279 703 K C -0.907 175.703 176.600 0.016 0.000 1.027 703 K CA -0.133 56.166 56.287 0.020 0.000 0.969 703 K CB 0.798 33.309 32.500 0.018 0.000 0.954 703 K HN 0.485 nan 8.250 nan 0.000 0.474 704 L N 5.089 126.317 121.223 0.008 0.000 2.296 704 L HA 0.380 4.748 4.340 0.047 0.000 0.286 704 L C -2.040 174.832 176.870 0.003 0.000 1.023 704 L CA -2.442 52.398 54.840 -0.000 0.000 0.812 704 L CB 1.184 43.236 42.059 -0.012 0.000 1.223 704 L HN 0.396 nan 8.230 nan 0.000 0.421 705 P HA 0.018 nan 4.420 nan 0.000 0.268 705 P C 0.225 177.532 177.300 0.012 0.000 1.208 705 P CA -0.319 62.786 63.100 0.009 0.000 0.777 705 P CB 0.422 32.128 31.700 0.010 0.000 0.875 706 N N -0.004 118.706 118.700 0.017 0.000 2.449 706 N HA -0.068 4.700 4.740 0.047 0.000 0.191 706 N C 0.514 176.044 175.510 0.032 0.000 1.161 706 N CA 0.619 53.682 53.050 0.022 0.000 0.863 706 N CB -0.635 37.865 38.487 0.021 0.000 0.980 706 N HN 0.429 nan 8.380 nan 0.000 0.458 707 T N -2.466 112.107 114.554 0.033 0.000 3.107 707 T HA 0.174 4.553 4.350 0.047 0.000 0.249 707 T C 0.809 175.549 174.700 0.067 0.000 1.096 707 T CA -0.083 62.045 62.100 0.048 0.000 1.012 707 T CB -0.420 68.471 68.868 0.037 0.000 0.977 707 T HN 0.112 nan 8.240 nan 0.000 0.527 708 V N -1.140 118.801 119.914 0.044 0.000 2.604 708 V HA 0.598 4.746 4.120 0.047 0.000 0.305 708 V C 0.796 176.901 176.094 0.018 0.000 1.043 708 V CA -1.398 60.922 62.300 0.034 0.000 0.888 708 V CB 1.970 33.788 31.823 -0.008 0.000 0.995 708 V HN 0.026 nan 8.190 nan 0.000 0.429 709 R N 1.749 122.258 120.500 0.014 0.000 2.236 709 R HA 0.211 4.579 4.340 0.047 0.000 0.208 709 R C 0.367 176.653 176.300 -0.024 0.000 1.036 709 R CA 1.192 57.295 56.100 0.006 0.000 1.001 709 R CB 0.198 30.494 30.300 -0.007 0.000 0.896 709 R HN 0.997 nan 8.270 nan 0.000 0.464 710 E N -1.773 118.379 120.200 -0.080 0.000 2.427 710 E HA 0.609 4.987 4.350 0.047 0.000 0.279 710 E C -1.845 174.537 176.600 -0.363 0.000 1.120 710 E CA -1.105 55.199 56.400 -0.161 0.000 0.869 710 E CB 0.960 30.593 29.700 -0.113 0.000 1.393 710 E HN -0.040 nan 8.360 nan 0.000 0.443 711 A N 0.281 122.808 122.820 -0.488 0.000 2.569 711 A HA 0.759 5.108 4.320 0.047 0.000 0.290 711 A C -2.068 175.091 177.584 -0.708 0.000 1.136 711 A CA -0.793 50.864 52.037 -0.633 0.000 0.710 711 A CB 1.187 20.047 19.000 -0.234 0.000 1.303 711 A HN 0.504 nan 8.150 nan 0.000 0.413 712 Y N -0.421 119.918 120.300 0.066 0.000 2.391 712 Y HA 0.578 5.156 4.550 0.047 0.000 0.341 712 Y C -0.378 175.597 175.900 0.125 0.000 0.965 712 Y CA -1.086 57.065 58.100 0.086 0.000 1.067 712 Y CB 1.799 40.290 38.460 0.050 0.000 1.199 712 Y HN 0.536 nan 8.280 nan 0.000 0.450 713 L N 4.238 125.652 121.223 0.318 0.000 2.268 713 L HA 0.475 4.843 4.340 0.047 0.000 0.289 713 L C -1.107 175.955 176.870 0.319 0.000 1.064 713 L CA -0.433 54.600 54.840 0.321 0.000 0.824 713 L CB -0.344 41.922 42.059 0.346 0.000 1.202 713 L HN 0.609 nan 8.230 nan 0.000 0.433 714 N N 5.403 124.265 118.700 0.271 0.000 2.438 714 N HA 0.619 5.387 4.740 0.047 0.000 0.282 714 N C -1.238 174.408 175.510 0.226 0.000 1.037 714 N CA -0.399 52.774 53.050 0.204 0.000 0.942 714 N CB 1.323 39.891 38.487 0.135 0.000 1.136 714 N HN 0.527 nan 8.380 nan 0.000 0.481 715 L N 1.122 122.464 121.223 0.198 0.000 2.362 715 L HA 0.609 4.977 4.340 0.047 0.000 0.275 715 L C -0.467 176.484 176.870 0.135 0.000 0.998 715 L CA -0.655 54.279 54.840 0.158 0.000 0.820 715 L CB 1.895 44.100 42.059 0.243 0.000 1.270 715 L HN 0.468 nan 8.230 nan 0.000 0.415 716 S N 2.004 117.686 115.700 -0.031 0.000 2.575 716 S HA 0.687 5.185 4.470 0.047 0.000 0.278 716 S C -1.907 172.657 174.600 -0.060 0.000 1.139 716 S CA -0.467 57.770 58.200 0.062 0.000 0.954 716 S CB 0.876 64.093 63.200 0.028 0.000 1.054 716 S HN 0.420 nan 8.310 nan 0.000 0.483 717 W N 2.502 123.884 121.300 0.138 0.000 2.689 717 W HA 0.742 5.430 4.660 0.047 0.000 0.340 717 W C 0.030 176.657 176.519 0.179 0.000 1.060 717 W CA -0.423 57.017 57.345 0.159 0.000 1.218 717 W CB 1.811 31.353 29.460 0.137 0.000 1.410 717 W HN 0.735 nan 8.180 nan 0.000 0.528 718 S N 0.611 116.606 115.700 0.491 0.000 2.579 718 S HA 0.753 5.251 4.470 0.047 0.000 0.272 718 S C -0.856 174.025 174.600 0.467 0.000 1.141 718 S CA -1.540 56.906 58.200 0.409 0.000 0.843 718 S CB 1.718 65.062 63.200 0.241 0.000 1.122 718 S HN 0.549 nan 8.310 nan 0.000 0.468 719 R N 0.996 121.703 120.500 0.344 0.000 2.531 719 R HA 0.489 4.857 4.340 0.047 0.000 0.273 719 R C 0.430 176.727 176.300 -0.005 0.000 1.070 719 R CA -0.904 55.198 56.100 0.004 0.000 1.112 719 R CB 0.595 30.787 30.300 -0.180 0.000 1.049 719 R HN 0.679 nan 8.270 nan 0.000 0.508 720 K N 0.875 121.220 120.400 -0.092 0.000 2.062 720 K HA -0.063 4.285 4.320 0.047 0.000 0.205 720 K C 0.052 176.632 176.600 -0.033 0.000 1.051 720 K CA 1.293 57.562 56.287 -0.031 0.000 0.941 720 K CB 0.102 32.580 32.500 -0.037 0.000 0.719 720 K HN 0.605 nan 8.250 nan 0.000 0.440 721 E N 0.399 120.556 120.200 -0.070 0.000 2.179 721 E HA 0.378 4.756 4.350 0.047 0.000 0.275 721 E C -1.035 175.546 176.600 -0.032 0.000 0.945 721 E CA -0.641 55.732 56.400 -0.045 0.000 0.792 721 E CB 1.886 31.554 29.700 -0.054 0.000 1.125 721 E HN 0.165 nan 8.360 nan 0.000 0.397 722 A N 2.529 125.344 122.820 -0.009 0.000 2.327 722 A HA 0.427 4.775 4.320 0.047 0.000 0.255 722 A C 0.142 177.721 177.584 -0.008 0.000 1.099 722 A CA 0.038 52.076 52.037 0.001 0.000 0.801 722 A CB 0.816 19.822 19.000 0.009 0.000 1.062 722 A HN 0.538 nan 8.150 nan 0.000 0.496 723 T N 0.029 114.576 114.554 -0.012 0.000 2.901 723 T HA 0.527 4.906 4.350 0.047 0.000 0.293 723 T C -2.069 172.615 174.700 -0.028 0.000 1.084 723 T CA -0.728 61.365 62.100 -0.012 0.000 1.008 723 T CB 1.694 70.546 68.868 -0.027 0.000 1.170 723 T HN 0.384 nan 8.240 nan 0.000 0.509 724 P HA 0.095 nan 4.420 nan 0.000 0.222 724 P C 0.974 178.180 177.300 -0.157 0.000 1.147 724 P CA 0.872 63.952 63.100 -0.032 0.000 0.790 724 P CB 0.185 31.938 31.700 0.089 0.000 0.780 725 L N -2.813 118.264 121.223 -0.244 0.000 2.470 725 L HA 0.130 4.498 4.340 0.047 0.000 0.219 725 L C 0.288 176.997 176.870 -0.269 0.000 1.071 725 L CA 0.197 54.847 54.840 -0.316 0.000 0.850 725 L CB 0.250 42.037 42.059 -0.454 0.000 1.040 725 L HN -0.306 nan 8.230 nan 0.000 0.475 726 V N 1.080 120.879 119.914 -0.192 0.000 2.409 726 V HA 0.184 4.332 4.120 0.047 0.000 0.290 726 V C -0.784 175.290 176.094 -0.034 0.000 1.017 726 V CA -1.097 61.101 62.300 -0.171 0.000 0.841 726 V CB 1.339 33.089 31.823 -0.123 0.000 1.003 726 V HN 0.197 nan 8.190 nan 0.000 0.426 727 D N 2.518 122.924 120.400 0.010 0.000 2.414 727 D HA 0.138 4.807 4.640 0.047 0.000 0.251 727 D C 1.438 177.815 176.300 0.128 0.000 1.252 727 D CA 0.252 54.289 54.000 0.062 0.000 0.999 727 D CB 0.559 41.397 40.800 0.064 0.000 1.093 727 D HN 0.537 nan 8.370 nan 0.000 0.515 728 T N -4.158 110.458 114.554 0.104 0.000 3.118 728 T HA -0.039 4.339 4.350 0.047 0.000 0.260 728 T C 0.592 175.376 174.700 0.140 0.000 1.139 728 T CA 0.402 62.571 62.100 0.114 0.000 1.085 728 T CB -0.238 68.672 68.868 0.070 0.000 0.934 728 T HN 0.313 nan 8.240 nan 0.000 0.518 729 D N -0.450 120.044 120.400 0.156 0.000 2.354 729 D HA 0.040 4.708 4.640 0.047 0.000 0.209 729 D C 0.348 176.755 176.300 0.179 0.000 1.015 729 D CA -0.167 53.916 54.000 0.138 0.000 0.867 729 D CB -0.030 40.838 40.800 0.114 0.000 0.933 729 D HN 0.549 nan 8.370 nan 0.000 0.520 730 W N 2.907 124.238 121.300 0.051 0.000 2.251 730 W HA 0.073 4.761 4.660 0.047 0.000 0.327 730 W C 0.314 176.889 176.519 0.093 0.000 1.361 730 W CA -0.117 57.260 57.345 0.053 0.000 1.234 730 W CB 0.453 29.938 29.460 0.042 0.000 1.212 730 W HN -0.132 nan 8.180 nan 0.000 0.557 731 E N 4.096 123.954 120.200 -0.570 0.000 2.166 731 E HA 0.076 4.454 4.350 0.047 0.000 0.279 731 E C 0.927 177.413 176.600 -0.189 0.000 1.095 731 E CA -0.174 56.051 56.400 -0.291 0.000 0.888 731 E CB 0.836 30.325 29.700 -0.351 0.000 1.041 731 E HN 0.439 nan 8.360 nan 0.000 0.414 732 V N 1.855 121.873 119.914 0.173 0.000 3.506 732 V HA 0.490 4.638 4.120 0.047 0.000 0.263 732 V C 0.460 176.656 176.094 0.171 0.000 1.203 732 V CA 0.594 63.052 62.300 0.263 0.000 1.133 732 V CB -0.355 31.687 31.823 0.366 0.000 0.802 732 V HN 0.562 nan 8.190 nan 0.000 0.459 733 A N -0.088 122.868 122.820 0.226 0.000 2.590 733 A HA 0.790 5.139 4.320 0.047 0.000 0.294 733 A C -1.266 176.572 177.584 0.424 0.000 1.046 733 A CA -0.284 51.849 52.037 0.161 0.000 0.684 733 A CB 0.951 19.902 19.000 -0.081 0.000 1.279 733 A HN 1.348 nan 8.150 nan 0.000 0.415 734 Y N -0.920 119.485 120.300 0.175 0.000 2.677 734 Y HA 0.869 5.447 4.550 0.047 0.000 0.334 734 Y C -1.444 174.518 175.900 0.103 0.000 1.196 734 Y CA -1.064 57.149 58.100 0.187 0.000 1.059 734 Y CB 1.133 39.639 38.460 0.077 0.000 1.315 734 Y HN 0.568 nan 8.280 nan 0.000 0.455 735 D N 0.680 121.197 120.400 0.195 0.000 2.609 735 D HA 0.309 4.978 4.640 0.047 0.000 0.239 735 D C -1.882 174.342 176.300 -0.127 0.000 1.229 735 D CA -0.562 53.398 54.000 -0.066 0.000 0.808 735 D CB 2.946 43.692 40.800 -0.091 0.000 1.448 735 D HN 0.704 nan 8.370 nan 0.000 0.433 736 Q N 0.817 120.356 119.800 -0.434 0.000 2.345 736 Q HA 0.552 4.920 4.340 0.047 0.000 0.275 736 Q C -1.853 173.767 176.000 -0.634 0.000 1.063 736 Q CA -0.609 55.000 55.803 -0.323 0.000 0.819 736 Q CB 1.778 30.461 28.738 -0.091 0.000 1.356 736 Q HN 0.300 nan 8.270 nan 0.000 0.418 737 F N 1.395 121.432 119.950 0.145 0.000 2.547 737 F HA 0.430 4.986 4.527 0.047 0.000 0.316 737 F C -0.371 175.532 175.800 0.172 0.000 1.121 737 F CA -0.840 57.237 58.000 0.129 0.000 0.911 737 F CB 1.856 40.914 39.000 0.097 0.000 1.179 737 F HN 0.201 nan 8.300 nan 0.000 0.443 738 V N 4.725 124.833 119.914 0.324 0.000 2.530 738 V HA 0.333 4.481 4.120 0.047 0.000 0.282 738 V C 0.007 176.213 176.094 0.186 0.000 1.048 738 V CA -0.520 61.958 62.300 0.298 0.000 0.997 738 V CB 1.156 33.135 31.823 0.260 0.000 0.987 738 V HN 0.522 nan 8.190 nan 0.000 0.477 739 L N 4.283 125.564 121.223 0.098 0.000 2.313 739 L HA 0.697 5.065 4.340 0.047 0.000 0.283 739 L C 0.535 177.406 176.870 0.002 0.000 1.013 739 L CA -0.680 54.186 54.840 0.044 0.000 0.816 739 L CB 1.634 43.707 42.059 0.023 0.000 1.236 739 L HN 0.717 nan 8.230 nan 0.000 0.419 740 A N 2.270 125.101 122.820 0.019 0.000 2.511 740 A HA 0.580 4.928 4.320 0.047 0.000 0.242 740 A C 0.528 178.110 177.584 -0.004 0.000 1.069 740 A CA 0.624 52.669 52.037 0.013 0.000 0.763 740 A CB 0.292 19.306 19.000 0.024 0.000 1.001 740 A HN 0.883 nan 8.150 nan 0.000 0.498 741 G N 0.524 109.320 108.800 -0.006 0.000 3.257 741 G HA2 0.413 4.401 3.960 0.047 0.000 0.205 741 G HA3 0.413 4.401 3.960 0.047 0.000 0.205 741 G C -0.404 174.503 174.900 0.012 0.000 1.234 741 G CA -0.519 44.576 45.100 -0.008 0.000 0.918 741 G HN 0.776 nan 8.290 nan 0.000 0.602 742 N N 0.685 119.396 118.700 0.019 0.000 2.415 742 N HA 0.065 4.834 4.740 0.047 0.000 0.250 742 N C 1.593 177.131 175.510 0.046 0.000 1.127 742 N CA -0.136 52.934 53.050 0.032 0.000 0.945 742 N CB 0.875 39.384 38.487 0.036 0.000 1.196 742 N HN 0.581 nan 8.380 nan 0.000 0.499 743 K N 2.438 122.865 120.400 0.046 0.000 2.211 743 K HA -0.165 4.183 4.320 0.047 0.000 0.204 743 K C 0.333 176.980 176.600 0.077 0.000 1.047 743 K CA 1.550 57.872 56.287 0.058 0.000 0.935 743 K CB -0.158 32.373 32.500 0.052 0.000 0.728 743 K HN 0.501 nan 8.250 nan 0.000 0.452 744 N N 0.550 119.294 118.700 0.073 0.000 2.422 744 N HA -0.055 4.713 4.740 0.047 0.000 0.181 744 N C 0.211 175.781 175.510 0.101 0.000 1.080 744 N CA 0.246 53.346 53.050 0.082 0.000 0.893 744 N CB 0.418 38.941 38.487 0.060 0.000 0.973 744 N HN 0.133 nan 8.380 nan 0.000 0.456 745 T N 0.231 114.850 114.554 0.108 0.000 2.926 745 T HA 0.077 4.455 4.350 0.047 0.000 0.307 745 T C 1.012 175.839 174.700 0.211 0.000 1.059 745 T CA 0.228 62.403 62.100 0.125 0.000 1.122 745 T CB 0.604 69.540 68.868 0.114 0.000 0.972 745 T HN 0.266 nan 8.240 nan 0.000 0.545 746 T N 1.158 115.796 114.554 0.140 0.000 3.393 746 T HA 0.495 4.874 4.350 0.047 0.000 0.298 746 T C 1.676 176.290 174.700 -0.143 0.000 1.004 746 T CA 0.119 62.248 62.100 0.048 0.000 0.956 746 T CB -0.035 68.804 68.868 -0.049 0.000 1.182 746 T HN 0.595 nan 8.240 nan 0.000 0.497 747 A N 1.670 124.508 122.820 0.031 0.000 1.978 747 A HA -0.035 4.313 4.320 0.047 0.000 0.220 747 A C 1.908 179.440 177.584 -0.087 0.000 1.170 747 A CA 1.639 53.663 52.037 -0.022 0.000 0.636 747 A CB -1.114 17.917 19.000 0.051 0.000 0.810 747 A HN 0.923 nan 8.150 nan 0.000 0.448 748 Y N -0.495 119.765 120.300 -0.066 0.000 2.352 748 Y HA 0.120 4.698 4.550 0.046 0.000 0.292 748 Y C 0.994 176.685 175.900 -0.349 0.000 1.136 748 Y CA 0.070 58.104 58.100 -0.111 0.000 1.227 748 Y CB -0.421 38.061 38.460 0.037 0.000 0.991 748 Y HN 0.088 nan 8.280 nan 0.000 0.545 749 R N 3.529 123.239 120.500 -1.316 0.000 2.570 749 R HA 0.103 4.471 4.340 0.047 0.000 0.277 749 R C -2.072 173.681 176.300 -0.912 0.000 1.039 749 R CA -1.419 53.902 56.100 -1.299 0.000 1.065 749 R CB -0.296 29.348 30.300 -1.094 0.000 0.964 749 R HN 0.258 nan 8.270 nan 0.000 0.428 750 P HA -0.017 nan 4.420 nan 0.000 0.274 750 P C -1.089 175.963 177.300 -0.414 0.000 1.237 750 P CA -0.339 62.356 63.100 -0.675 0.000 0.793 750 P CB 0.676 31.934 31.700 -0.737 0.000 0.977 751 Q N 0.599 120.248 119.800 -0.251 0.000 2.260 751 Q HA 0.291 4.659 4.340 0.047 0.000 0.238 751 Q C -0.067 175.882 176.000 -0.085 0.000 0.948 751 Q CA -1.010 54.703 55.803 -0.150 0.000 0.895 751 Q CB 1.016 29.685 28.738 -0.115 0.000 1.218 751 Q HN 0.285 nan 8.270 nan 0.000 0.470 752 K N 0.452 120.824 120.400 -0.046 0.000 2.453 752 K HA 0.013 4.361 4.320 0.047 0.000 0.280 752 K C -0.007 176.583 176.600 -0.017 0.000 1.045 752 K CA 0.665 56.944 56.287 -0.013 0.000 1.059 752 K CB 0.235 32.730 32.500 -0.009 0.000 0.901 752 K HN 0.765 nan 8.250 nan 0.000 0.475 753 A N 3.765 126.583 122.820 -0.004 0.000 2.267 753 A HA 0.301 4.649 4.320 0.047 0.000 0.213 753 A C 0.717 178.303 177.584 0.003 0.000 1.192 753 A CA 0.875 52.910 52.037 -0.002 0.000 0.851 753 A CB 0.252 19.256 19.000 0.007 0.000 0.881 753 A HN 0.915 nan 8.150 nan 0.000 0.494 754 G N -0.818 107.984 108.800 0.003 0.000 2.360 754 G HA2 0.371 4.359 3.960 0.047 0.000 0.276 754 G HA3 0.371 4.359 3.960 0.047 0.000 0.276 754 G C -1.725 173.175 174.900 0.000 0.000 1.256 754 G CA -0.366 44.735 45.100 0.002 0.000 0.890 754 G HN 0.071 nan 8.290 nan 0.000 0.486 755 E N 0.633 120.831 120.200 -0.003 0.000 2.115 755 E HA 0.636 5.014 4.350 0.047 0.000 0.282 755 E C -0.100 176.496 176.600 -0.007 0.000 0.987 755 E CA -0.133 56.263 56.400 -0.008 0.000 0.797 755 E CB 0.892 30.584 29.700 -0.014 0.000 1.086 755 E HN 0.458 nan 8.360 nan 0.000 0.397 756 T N 2.598 117.151 114.554 -0.003 0.000 2.882 756 T HA 0.769 5.147 4.350 0.047 0.000 0.287 756 T C -0.582 174.116 174.700 -0.002 0.000 0.992 756 T CA -0.349 61.753 62.100 0.004 0.000 1.076 756 T CB 1.330 70.207 68.868 0.016 0.000 0.961 756 T HN 0.528 nan 8.240 nan 0.000 0.490 757 A N 2.404 125.222 122.820 -0.004 0.000 2.572 757 A HA 0.891 5.240 4.320 0.047 0.000 0.295 757 A C -1.403 176.188 177.584 0.011 0.000 1.072 757 A CA -0.962 51.039 52.037 -0.059 0.000 0.691 757 A CB 1.293 20.233 19.000 -0.100 0.000 1.291 757 A HN 0.832 nan 8.150 nan 0.000 0.404 758 F N -0.657 119.236 119.950 -0.096 0.000 2.626 758 F HA 0.848 5.404 4.527 0.047 0.000 0.311 758 F C -1.436 174.286 175.800 -0.130 0.000 1.088 758 F CA -1.330 56.587 58.000 -0.138 0.000 0.949 758 F CB 1.318 40.209 39.000 -0.181 0.000 1.322 758 F HN 0.390 nan 8.300 nan 0.000 0.461 759 V N 2.522 122.518 119.914 0.137 0.000 2.638 759 V HA 0.593 4.741 4.120 0.047 0.000 0.306 759 V C -0.857 175.275 176.094 0.063 0.000 1.052 759 V CA -0.881 61.445 62.300 0.043 0.000 0.885 759 V CB 1.748 33.553 31.823 -0.030 0.000 0.999 759 V HN 0.810 nan 8.190 nan 0.000 0.424 760 V N 2.983 122.946 119.914 0.083 0.000 2.394 760 V HA 0.289 4.437 4.120 0.047 0.000 0.282 760 V C 0.036 176.138 176.094 0.013 0.000 1.031 760 V CA -0.572 61.736 62.300 0.013 0.000 0.881 760 V CB 1.632 33.535 31.823 0.133 0.000 0.982 760 V HN 1.008 nan 8.190 nan 0.000 0.451 761 D N 3.613 124.002 120.400 -0.019 0.000 2.417 761 D HA 0.075 4.743 4.640 0.047 0.000 0.250 761 D C 1.185 177.503 176.300 0.030 0.000 1.166 761 D CA 0.135 54.134 54.000 -0.001 0.000 0.881 761 D CB 0.822 41.612 40.800 -0.015 0.000 1.164 761 D HN 0.491 nan 8.370 nan 0.000 0.467 762 K N 2.356 122.774 120.400 0.029 0.000 2.209 762 K HA -0.138 4.210 4.320 0.047 0.000 0.204 762 K C 0.951 177.578 176.600 0.044 0.000 1.048 762 K CA 1.138 57.449 56.287 0.040 0.000 0.940 762 K CB 0.031 32.548 32.500 0.029 0.000 0.729 762 K HN 0.453 nan 8.250 nan 0.000 0.451 763 N N -0.722 118.001 118.700 0.037 0.000 2.349 763 N HA -0.087 4.681 4.740 0.047 0.000 0.180 763 N C 1.750 177.292 175.510 0.054 0.000 1.024 763 N CA 1.501 54.576 53.050 0.042 0.000 0.869 763 N CB -0.058 38.447 38.487 0.031 0.000 1.022 763 N HN 0.174 nan 8.380 nan 0.000 0.433 764 T N -3.308 111.274 114.554 0.047 0.000 3.035 764 T HA 0.235 4.613 4.350 0.047 0.000 0.259 764 T C 1.612 176.359 174.700 0.078 0.000 1.078 764 T CA 0.659 62.793 62.100 0.056 0.000 1.132 764 T CB -0.146 68.737 68.868 0.026 0.000 0.900 764 T HN 0.283 nan 8.240 nan 0.000 0.480 765 G N 1.497 110.340 108.800 0.073 0.000 2.148 765 G HA2 -0.034 3.954 3.960 0.047 0.000 0.254 765 G HA3 -0.034 3.954 3.960 0.047 0.000 0.254 765 G C 0.259 175.180 174.900 0.035 0.000 0.981 765 G CA 0.086 45.258 45.100 0.120 0.000 0.670 765 G HN 1.174 nan 8.290 nan 0.000 0.528 766 A N -0.029 122.752 122.820 -0.065 0.000 2.286 766 A HA 0.728 5.077 4.320 0.047 0.000 0.286 766 A C 0.621 178.040 177.584 -0.275 0.000 1.097 766 A CA -0.489 51.435 52.037 -0.188 0.000 0.821 766 A CB 0.729 19.645 19.000 -0.139 0.000 1.076 766 A HN 0.953 nan 8.150 nan 0.000 0.490 767 L N 2.815 123.777 121.223 -0.436 0.000 2.385 767 L HA 0.160 4.528 4.340 0.047 0.000 0.285 767 L C 1.244 177.936 176.870 -0.296 0.000 1.125 767 L CA 0.748 55.257 54.840 -0.551 0.000 0.890 767 L CB 0.231 41.863 42.059 -0.712 0.000 1.251 767 L HN 0.919 nan 8.230 nan 0.000 0.445 768 S N 1.486 117.069 115.700 -0.195 0.000 2.593 768 S HA 0.079 4.577 4.470 0.047 0.000 0.217 768 S C 0.681 175.223 174.600 -0.098 0.000 0.966 768 S CA -0.162 57.968 58.200 -0.118 0.000 0.914 768 S CB 0.203 63.359 63.200 -0.073 0.000 0.776 768 S HN 0.569 nan 8.310 nan 0.000 0.523 769 S N 0.063 115.697 115.700 -0.109 0.000 2.562 769 S HA 0.604 5.102 4.470 0.047 0.000 0.274 769 S C -1.681 172.879 174.600 -0.068 0.000 1.160 769 S CA -0.761 57.393 58.200 -0.076 0.000 0.933 769 S CB 1.404 64.576 63.200 -0.046 0.000 1.100 769 S HN 0.446 nan 8.310 nan 0.000 0.468 770 L N 5.000 126.173 121.223 -0.083 0.000 2.441 770 L HA 0.690 5.058 4.340 0.047 0.000 0.270 770 L C -0.635 176.205 176.870 -0.050 0.000 0.973 770 L CA -0.200 54.596 54.840 -0.072 0.000 0.842 770 L CB 1.853 43.817 42.059 -0.159 0.000 1.239 770 L HN 0.898 nan 8.230 nan 0.000 0.406 771 T N 1.621 116.161 114.554 -0.023 0.000 2.908 771 T HA 0.645 5.023 4.350 0.047 0.000 0.290 771 T C -0.940 173.756 174.700 -0.007 0.000 1.034 771 T CA -0.749 61.342 62.100 -0.016 0.000 1.010 771 T CB 2.411 71.269 68.868 -0.018 0.000 1.068 771 T HN 0.353 nan 8.240 nan 0.000 0.481 772 L N 2.248 123.473 121.223 0.003 0.000 2.372 772 L HA 0.479 4.847 4.340 0.047 0.000 0.273 772 L C -0.495 176.381 176.870 0.010 0.000 0.989 772 L CA 0.335 55.181 54.840 0.010 0.000 0.841 772 L CB 0.436 42.509 42.059 0.023 0.000 1.225 772 L HN 0.845 nan 8.230 nan 0.000 0.414 773 D N 4.487 124.888 120.400 0.002 0.000 2.772 773 D HA -0.208 4.460 4.640 0.047 0.000 0.233 773 D C 1.092 177.391 176.300 -0.002 0.000 1.143 773 D CA 1.470 55.469 54.000 -0.001 0.000 0.700 773 D CB -0.994 39.809 40.800 0.005 0.000 1.076 773 D HN 1.230 nan 8.370 nan 0.000 0.430 774 G N -0.019 108.777 108.800 -0.007 0.000 2.199 774 G HA2 -0.370 3.618 3.960 0.047 0.000 0.254 774 G HA3 -0.370 3.618 3.960 0.047 0.000 0.254 774 G C 0.314 175.215 174.900 0.001 0.000 0.982 774 G CA 0.687 45.782 45.100 -0.008 0.000 0.632 774 G HN 0.590 nan 8.290 nan 0.000 0.529 775 K N 0.958 121.365 120.400 0.012 0.000 2.248 775 K HA 0.491 4.839 4.320 0.047 0.000 0.281 775 K C 0.108 176.724 176.600 0.028 0.000 1.054 775 K CA -0.591 55.712 56.287 0.026 0.000 0.903 775 K CB 0.641 33.167 32.500 0.044 0.000 1.077 775 K HN 0.096 nan 8.250 nan 0.000 0.474 776 E N 4.171 124.388 120.200 0.028 0.000 2.376 776 E HA -0.004 4.375 4.350 0.047 0.000 0.266 776 E C 0.006 176.631 176.600 0.042 0.000 1.009 776 E CA 0.383 56.795 56.400 0.020 0.000 0.902 776 E CB 0.634 30.345 29.700 0.018 0.000 0.972 776 E HN 0.678 nan 8.360 nan 0.000 0.439 777 L N 3.622 124.842 121.223 -0.005 0.000 2.515 777 L HA 0.233 4.602 4.340 0.047 0.000 0.223 777 L C 0.341 177.172 176.870 -0.065 0.000 1.079 777 L CA -0.098 54.712 54.840 -0.051 0.000 0.857 777 L CB -0.044 41.941 42.059 -0.124 0.000 1.050 777 L HN 0.402 nan 8.230 nan 0.000 0.476 778 L N -0.283 120.912 121.223 -0.046 0.000 2.334 778 L HA 0.390 4.758 4.340 0.047 0.000 0.277 778 L C 0.957 177.851 176.870 0.039 0.000 1.075 778 L CA -0.208 54.626 54.840 -0.009 0.000 0.804 778 L CB 1.521 43.534 42.059 -0.077 0.000 1.174 778 L HN -0.043 nan 8.230 nan 0.000 0.438 779 A N 2.112 124.978 122.820 0.077 0.000 2.288 779 A HA 0.673 5.021 4.320 0.047 0.000 0.216 779 A C 0.603 178.218 177.584 0.051 0.000 1.199 779 A CA 0.541 52.618 52.037 0.067 0.000 0.891 779 A CB 0.329 19.378 19.000 0.081 0.000 0.923 779 A HN 0.717 nan 8.150 nan 0.000 0.500 780 A N 0.331 123.190 122.820 0.064 0.000 2.574 780 A HA 0.692 5.041 4.320 0.047 0.000 0.297 780 A C -3.165 174.445 177.584 0.042 0.000 1.062 780 A CA -1.550 50.516 52.037 0.048 0.000 0.686 780 A CB 1.066 20.097 19.000 0.051 0.000 1.285 780 A HN 0.028 nan 8.150 nan 0.000 0.403 781 P HA 0.274 nan 4.420 nan 0.000 0.271 781 P C -0.581 176.703 177.300 -0.027 0.000 1.233 781 P CA 0.078 63.147 63.100 -0.052 0.000 0.789 781 P CB 0.558 32.219 31.700 -0.064 0.000 0.951 782 I N 1.240 121.738 120.570 -0.119 0.000 2.312 782 I HA 0.198 4.396 4.170 0.047 0.000 0.291 782 I C 1.122 177.183 176.117 -0.093 0.000 1.031 782 I CA 0.046 61.297 61.300 -0.083 0.000 1.293 782 I CB 0.764 38.621 38.000 -0.238 0.000 1.403 782 I HN 0.408 nan 8.210 nan 0.000 0.484 783 T N 3.558 118.103 114.554 -0.015 0.000 2.907 783 T HA 0.554 4.932 4.350 0.047 0.000 0.290 783 T C -0.549 174.193 174.700 0.070 0.000 1.066 783 T CA -0.924 61.164 62.100 -0.019 0.000 1.012 783 T CB 1.867 70.740 68.868 0.009 0.000 1.184 783 T HN 0.278 nan 8.240 nan 0.000 0.522 784 L N 1.729 123.033 121.223 0.134 0.000 2.367 784 L HA 0.616 4.985 4.340 0.047 0.000 0.275 784 L C 0.137 177.058 176.870 0.085 0.000 1.129 784 L CA 0.466 55.421 54.840 0.192 0.000 0.839 784 L CB 1.035 43.231 42.059 0.228 0.000 1.133 784 L HN 0.870 nan 8.230 nan 0.000 0.453 785 S N 4.833 120.579 115.700 0.077 0.000 2.519 785 S HA 0.608 5.106 4.470 0.047 0.000 0.309 785 S C 0.229 174.818 174.600 -0.018 0.000 1.100 785 S CA -0.672 57.571 58.200 0.071 0.000 1.059 785 S CB 0.749 64.058 63.200 0.182 0.000 1.008 785 S HN 0.723 nan 8.310 nan 0.000 0.478 786 L N 3.848 125.049 121.223 -0.037 0.000 3.086 786 L HA 0.494 4.862 4.340 0.047 0.000 0.274 786 L C -0.261 176.511 176.870 -0.162 0.000 1.184 786 L CA -0.068 54.700 54.840 -0.121 0.000 1.002 786 L CB 0.376 42.359 42.059 -0.127 0.000 1.383 786 L HN 0.557 nan 8.230 nan 0.000 0.582 787 F N 1.925 121.732 119.950 -0.239 0.000 2.541 787 F HA 0.686 5.241 4.527 0.046 0.000 0.331 787 F C -0.138 175.500 175.800 -0.270 0.000 1.057 787 F CA -0.959 56.865 58.000 -0.292 0.000 0.975 787 F CB 1.252 40.202 39.000 -0.085 0.000 1.246 787 F HN -0.092 nan 8.300 nan 0.000 0.484 788 R N 3.000 122.686 120.500 -1.355 0.000 2.584 788 R HA 0.515 4.883 4.340 0.047 0.000 0.276 788 R C -3.285 172.376 176.300 -1.066 0.000 1.046 788 R CA -2.048 53.508 56.100 -0.907 0.000 0.906 788 R CB 1.453 31.384 30.300 -0.616 0.000 1.215 788 R HN 0.279 nan 8.270 nan 0.000 0.449 789 P HA -0.063 nan 4.420 nan 0.000 0.258 789 P C -0.334 176.869 177.300 -0.163 0.000 1.187 789 P CA 0.533 63.556 63.100 -0.128 0.000 0.767 789 P CB 0.652 32.380 31.700 0.046 0.000 0.770 790 A N 3.906 126.685 122.820 -0.068 0.000 2.567 790 A HA 0.269 4.617 4.320 0.047 0.000 0.240 790 A C 0.978 178.493 177.584 -0.116 0.000 1.053 790 A CA 0.334 52.347 52.037 -0.040 0.000 0.755 790 A CB -0.559 18.452 19.000 0.018 0.000 0.978 790 A HN 0.588 nan 8.150 nan 0.000 0.507 791 T N 0.318 114.768 114.554 -0.172 0.000 2.816 791 T HA 0.259 4.637 4.350 0.047 0.000 0.282 791 T C 0.558 175.099 174.700 -0.265 0.000 0.993 791 T CA -0.077 61.859 62.100 -0.273 0.000 0.994 791 T CB 0.679 69.338 68.868 -0.348 0.000 1.025 791 T HN 0.565 nan 8.240 nan 0.000 0.529 792 D N 0.865 121.073 120.400 -0.320 0.000 2.149 792 D HA -0.130 4.538 4.640 0.047 0.000 0.198 792 D C 1.832 177.974 176.300 -0.264 0.000 0.990 792 D CA 1.115 54.923 54.000 -0.321 0.000 0.839 792 D CB -0.244 40.312 40.800 -0.407 0.000 0.948 792 D HN 0.483 nan 8.370 nan 0.000 0.460 793 N N 1.192 119.743 118.700 -0.249 0.000 2.120 793 N HA -0.122 4.647 4.740 0.047 0.000 0.188 793 N C 1.287 176.675 175.510 -0.204 0.000 1.024 793 N CA 0.816 53.749 53.050 -0.194 0.000 0.852 793 N CB -0.362 38.017 38.487 -0.180 0.000 1.003 793 N HN 0.202 nan 8.380 nan 0.000 0.424 794 D N 0.656 120.918 120.400 -0.231 0.000 2.190 794 D HA -0.119 4.549 4.640 0.047 0.000 0.200 794 D C 1.075 177.169 176.300 -0.344 0.000 0.992 794 D CA 0.834 54.643 54.000 -0.319 0.000 0.854 794 D CB -0.592 40.042 40.800 -0.277 0.000 0.936 794 D HN 0.440 nan 8.370 nan 0.000 0.462 795 N N -0.180 118.376 118.700 -0.239 0.000 2.550 795 N HA -0.003 4.766 4.740 0.047 0.000 0.186 795 N C 1.372 176.789 175.510 -0.156 0.000 1.110 795 N CA 0.298 53.236 53.050 -0.188 0.000 0.912 795 N CB 0.350 38.744 38.487 -0.155 0.000 0.968 795 N HN 0.070 nan 8.380 nan 0.000 0.448 796 R N -0.647 119.759 120.500 -0.156 0.000 2.556 796 R HA 0.073 4.441 4.340 0.047 0.000 0.276 796 R C -0.546 175.676 176.300 -0.131 0.000 0.931 796 R CA -0.240 55.792 56.100 -0.114 0.000 1.061 796 R CB 0.654 30.922 30.300 -0.054 0.000 1.432 796 R HN 0.115 nan 8.270 nan 0.000 0.547 797 D N 1.723 122.020 120.400 -0.172 0.000 2.458 797 D HA -0.058 4.610 4.640 0.047 0.000 0.243 797 D C 0.940 177.145 176.300 -0.157 0.000 1.146 797 D CA 0.392 54.298 54.000 -0.156 0.000 0.877 797 D CB 1.059 41.749 40.800 -0.183 0.000 1.176 797 D HN 0.005 nan 8.370 nan 0.000 0.461 798 R N 3.203 123.642 120.500 -0.102 0.000 2.139 798 R HA -0.173 4.195 4.340 0.047 0.000 0.243 798 R C 0.460 176.705 176.300 -0.092 0.000 1.145 798 R CA 1.537 57.588 56.100 -0.082 0.000 0.976 798 R CB 0.043 30.314 30.300 -0.048 0.000 0.866 798 R HN 0.444 nan 8.270 nan 0.000 0.449 799 N N -0.497 118.147 118.700 -0.094 0.000 2.458 799 N HA 0.175 4.943 4.740 0.047 0.000 0.274 799 N C -0.295 175.093 175.510 -0.204 0.000 1.242 799 N CA -0.252 52.757 53.050 -0.068 0.000 0.904 799 N CB 1.634 40.138 38.487 0.028 0.000 1.206 799 N HN 0.215 nan 8.380 nan 0.000 0.510 800 G N -0.187 108.347 108.800 -0.443 0.000 2.695 800 G HA2 0.462 4.450 3.960 0.047 0.000 0.213 800 G HA3 0.462 4.450 3.960 0.047 0.000 0.213 800 G C 0.908 174.800 174.900 -1.681 0.000 1.406 800 G CA -0.215 44.298 45.100 -0.978 0.000 1.049 800 G HN 0.182 nan 8.290 nan 0.000 0.573 801 A N -0.921 120.976 122.820 -1.539 0.000 2.178 801 A HA -0.015 4.333 4.320 0.047 0.000 0.218 801 A C 2.231 179.651 177.584 -0.273 0.000 1.157 801 A CA 1.713 53.269 52.037 -0.802 0.000 0.689 801 A CB -0.412 18.463 19.000 -0.208 0.000 0.787 801 A HN 0.560 nan 8.150 nan 0.000 0.465 802 R N -0.969 119.345 120.500 -0.310 0.000 2.075 802 R HA -0.080 4.288 4.340 0.047 0.000 0.232 802 R C 1.527 177.780 176.300 -0.078 0.000 1.126 802 R CA 1.342 57.360 56.100 -0.137 0.000 0.963 802 R CB -0.251 29.968 30.300 -0.134 0.000 0.858 802 R HN 0.403 nan 8.270 nan 0.000 0.435 803 L N -0.477 120.664 121.223 -0.136 0.000 2.131 803 L HA -0.094 4.274 4.340 0.047 0.000 0.206 803 L C 2.005 178.986 176.870 0.185 0.000 1.087 803 L CA 1.199 56.042 54.840 0.006 0.000 0.767 803 L CB -0.790 41.273 42.059 0.007 0.000 0.917 803 L HN 0.268 nan 8.230 nan 0.000 0.441 804 W N 0.298 121.664 121.300 0.111 0.000 2.355 804 W HA -0.100 4.590 4.660 0.050 0.000 0.309 804 W C 2.683 179.259 176.519 0.095 0.000 1.206 804 W CA 0.721 58.167 57.345 0.170 0.000 1.284 804 W CB -1.187 28.482 29.460 0.347 0.000 1.145 804 W HN 0.159 nan 8.180 nan 0.000 0.502 805 R N 0.317 120.983 120.500 0.277 0.000 2.115 805 R HA -0.077 4.292 4.340 0.047 0.000 0.226 805 R C 2.145 178.479 176.300 0.056 0.000 1.100 805 R CA 1.090 57.243 56.100 0.087 0.000 0.980 805 R CB -0.449 29.891 30.300 0.067 0.000 0.875 805 R HN 0.126 nan 8.270 nan 0.000 0.445 806 K N 0.777 121.221 120.400 0.072 0.000 2.148 806 K HA -0.061 4.288 4.320 0.047 0.000 0.204 806 K C 1.642 178.279 176.600 0.062 0.000 1.050 806 K CA 1.330 57.647 56.287 0.051 0.000 0.942 806 K CB 0.051 32.576 32.500 0.042 0.000 0.724 806 K HN 0.129 nan 8.250 nan 0.000 0.446 807 A N 0.117 122.997 122.820 0.099 0.000 2.251 807 A HA 0.198 4.546 4.320 0.047 0.000 0.209 807 A C 1.219 178.849 177.584 0.075 0.000 1.187 807 A CA 0.740 52.837 52.037 0.100 0.000 0.823 807 A CB -0.279 18.809 19.000 0.146 0.000 0.846 807 A HN 0.506 nan 8.150 nan 0.000 0.486 808 G N -0.410 108.418 108.800 0.046 0.000 2.179 808 G HA2 -0.280 3.709 3.960 0.047 0.000 0.257 808 G HA3 -0.280 3.709 3.960 0.047 0.000 0.257 808 G C 0.705 175.590 174.900 -0.025 0.000 1.010 808 G CA 0.500 45.596 45.100 -0.006 0.000 0.736 808 G HN 0.495 nan 8.290 nan 0.000 0.513 809 L N 0.330 121.560 121.223 0.012 0.000 2.450 809 L HA -0.047 4.321 4.340 0.047 0.000 0.224 809 L C 2.374 179.186 176.870 -0.097 0.000 1.149 809 L CA 1.446 56.300 54.840 0.023 0.000 0.816 809 L CB -0.372 41.766 42.059 0.131 0.000 0.932 809 L HN 0.618 nan 8.230 nan 0.000 0.449 810 N N -1.389 117.081 118.700 -0.384 0.000 2.270 810 N HA -0.057 4.711 4.740 0.047 0.000 0.198 810 N C 0.096 175.455 175.510 -0.252 0.000 1.117 810 N CA 0.155 52.832 53.050 -0.621 0.000 0.845 810 N CB 0.110 37.709 38.487 -1.479 0.000 0.980 810 N HN 0.267 nan 8.380 nan 0.000 0.486 811 N N 0.945 119.564 118.700 -0.135 0.000 2.664 811 N HA 0.260 5.028 4.740 0.047 0.000 0.287 811 N C -0.999 174.501 175.510 -0.016 0.000 1.869 811 N CA -0.201 52.812 53.050 -0.060 0.000 0.832 811 N CB 1.164 39.618 38.487 -0.056 0.000 1.293 811 N HN 0.148 nan 8.380 nan 0.000 0.498 812 L N 0.853 122.076 121.223 0.001 0.000 2.357 812 L HA 0.567 4.935 4.340 0.047 0.000 0.273 812 L C 0.720 177.612 176.870 0.038 0.000 1.080 812 L CA -0.302 54.555 54.840 0.028 0.000 0.803 812 L CB 1.351 43.432 42.059 0.036 0.000 1.174 812 L HN 0.151 nan 8.230 nan 0.000 0.443 813 T N -0.955 113.630 114.554 0.051 0.000 2.933 813 T HA 0.486 4.864 4.350 0.047 0.000 0.305 813 T C -0.835 173.912 174.700 0.078 0.000 1.092 813 T CA -1.053 61.080 62.100 0.055 0.000 1.008 813 T CB 1.794 70.689 68.868 0.044 0.000 1.102 813 T HN 0.548 nan 8.240 nan 0.000 0.469 814 Q N 1.457 121.310 119.800 0.088 0.000 2.274 814 Q HA 0.579 4.947 4.340 0.047 0.000 0.260 814 Q C -0.841 175.221 176.000 0.104 0.000 0.974 814 Q CA -0.989 54.889 55.803 0.124 0.000 0.876 814 Q CB 2.490 31.326 28.738 0.164 0.000 1.297 814 Q HN 0.663 nan 8.270 nan 0.000 0.446 815 K N 1.629 122.095 120.400 0.111 0.000 2.545 815 K HA 0.288 4.636 4.320 0.047 0.000 0.252 815 K C -0.648 176.010 176.600 0.097 0.000 0.948 815 K CA -0.662 55.678 56.287 0.088 0.000 0.827 815 K CB 1.589 34.130 32.500 0.069 0.000 1.128 815 K HN 0.586 nan 8.250 nan 0.000 0.429 816 V N 2.031 122.002 119.914 0.094 0.000 2.655 816 V HA 0.132 4.280 4.120 0.047 0.000 0.300 816 V C 0.373 176.508 176.094 0.069 0.000 1.044 816 V CA -0.125 62.232 62.300 0.095 0.000 1.095 816 V CB 1.230 33.108 31.823 0.092 0.000 0.952 816 V HN 0.661 nan 8.190 nan 0.000 0.485 817 V N 2.929 122.880 119.914 0.062 0.000 3.548 817 V HA 0.455 4.603 4.120 0.047 0.000 0.279 817 V C 0.648 176.764 176.094 0.036 0.000 1.446 817 V CA 1.093 63.418 62.300 0.043 0.000 1.023 817 V CB 0.572 32.416 31.823 0.035 0.000 0.820 817 V HN 1.221 nan 8.190 nan 0.000 0.438 818 S N 0.359 116.085 115.700 0.044 0.000 2.562 818 S HA 0.672 5.170 4.470 0.047 0.000 0.274 818 S C -1.951 172.681 174.600 0.052 0.000 1.160 818 S CA -0.424 57.798 58.200 0.037 0.000 0.933 818 S CB 1.585 64.799 63.200 0.022 0.000 1.100 818 S HN 0.456 nan 8.310 nan 0.000 0.468 819 L N 4.024 125.277 121.223 0.051 0.000 2.526 819 L HA 0.751 5.119 4.340 0.047 0.000 0.263 819 L C -1.481 175.422 176.870 0.054 0.000 0.943 819 L CA -0.157 54.723 54.840 0.065 0.000 0.859 819 L CB 1.832 43.937 42.059 0.076 0.000 1.313 819 L HN 0.729 nan 8.230 nan 0.000 0.406 820 K N 3.928 124.364 120.400 0.060 0.000 2.565 820 K HA 0.538 4.886 4.320 0.047 0.000 0.249 820 K C -1.470 175.171 176.600 0.068 0.000 0.958 820 K CA -0.386 55.931 56.287 0.050 0.000 0.806 820 K CB 1.523 34.044 32.500 0.035 0.000 1.194 820 K HN 0.795 nan 8.250 nan 0.000 0.434 821 E N 3.090 123.329 120.200 0.065 0.000 2.199 821 E HA 0.242 4.620 4.350 0.047 0.000 0.269 821 E C -0.695 175.939 176.600 0.056 0.000 0.899 821 E CA -0.972 55.476 56.400 0.080 0.000 0.772 821 E CB 2.014 31.760 29.700 0.077 0.000 1.155 821 E HN 0.451 nan 8.360 nan 0.000 0.408 822 E N 1.548 121.788 120.200 0.067 0.000 2.303 822 E HA 0.163 4.542 4.350 0.047 0.000 0.254 822 E C 0.597 177.213 176.600 0.028 0.000 0.979 822 E CA -0.657 55.769 56.400 0.043 0.000 0.843 822 E CB 1.143 30.872 29.700 0.049 0.000 1.245 822 E HN 0.345 nan 8.360 nan 0.000 0.413 823 K N 0.136 120.540 120.400 0.006 0.000 2.026 823 K HA -0.121 4.227 4.320 0.047 0.000 0.208 823 K C 1.343 177.916 176.600 -0.045 0.000 1.048 823 K CA 2.050 58.320 56.287 -0.029 0.000 0.929 823 K CB -0.036 32.447 32.500 -0.027 0.000 0.713 823 K HN 0.540 nan 8.250 nan 0.000 0.439 824 T N -2.058 112.508 114.554 0.020 0.000 3.085 824 T HA 0.168 4.546 4.350 0.047 0.000 0.264 824 T C 0.156 175.010 174.700 0.257 0.000 1.019 824 T CA -0.219 61.926 62.100 0.074 0.000 0.910 824 T CB 0.245 69.153 68.868 0.066 0.000 1.059 824 T HN 0.187 nan 8.240 nan 0.000 0.542 825 S N -0.074 115.779 115.700 0.254 0.000 2.638 825 S HA 0.887 5.386 4.470 0.047 0.000 0.274 825 S C -1.294 173.496 174.600 0.317 0.000 1.157 825 S CA -0.785 57.604 58.200 0.314 0.000 0.826 825 S CB 1.761 65.050 63.200 0.148 0.000 1.139 825 S HN 0.968 nan 8.310 nan 0.000 0.474 826 A N 0.758 123.746 122.820 0.280 0.000 2.488 826 A HA 0.749 5.097 4.320 0.047 0.000 0.295 826 A C -0.742 176.915 177.584 0.123 0.000 1.045 826 A CA -0.655 51.530 52.037 0.246 0.000 0.703 826 A CB 1.493 20.738 19.000 0.408 0.000 1.271 826 A HN 0.789 nan 8.150 nan 0.000 0.400 827 T N 1.557 116.156 114.554 0.075 0.000 2.792 827 T HA 0.635 5.013 4.350 0.047 0.000 0.280 827 T C -0.799 173.924 174.700 0.038 0.000 0.990 827 T CA -0.434 61.670 62.100 0.008 0.000 0.960 827 T CB 1.284 70.149 68.868 -0.004 0.000 0.939 827 T HN 1.507 nan 8.240 nan 0.000 0.439 828 V N 3.588 123.519 119.914 0.030 0.000 3.007 828 V HA 0.817 4.965 4.120 0.047 0.000 0.311 828 V C -1.395 174.730 176.094 0.052 0.000 1.120 828 V CA -1.137 61.217 62.300 0.090 0.000 0.980 828 V CB 2.232 34.175 31.823 0.199 0.000 1.033 828 V HN 0.868 nan 8.190 nan 0.000 0.429 829 R N 4.034 124.563 120.500 0.049 0.000 2.513 829 R HA 0.877 5.245 4.340 0.047 0.000 0.301 829 R C -1.065 175.269 176.300 0.056 0.000 0.968 829 R CA 0.090 56.188 56.100 -0.003 0.000 0.872 829 R CB 1.816 32.104 30.300 -0.019 0.000 1.177 829 R HN 1.154 nan 8.270 nan 0.000 0.444 830 A N 3.520 126.377 122.820 0.062 0.000 2.515 830 A HA 0.471 4.820 4.320 0.047 0.000 0.296 830 A C -1.229 176.416 177.584 0.102 0.000 1.094 830 A CA -0.861 51.248 52.037 0.120 0.000 0.718 830 A CB 1.624 20.765 19.000 0.235 0.000 1.307 830 A HN 0.800 nan 8.150 nan 0.000 0.408 831 E N 0.792 121.054 120.200 0.103 0.000 2.277 831 E HA 0.445 4.824 4.350 0.047 0.000 0.274 831 E C -0.896 175.785 176.600 0.136 0.000 1.022 831 E CA -0.570 55.890 56.400 0.101 0.000 0.853 831 E CB 1.265 31.010 29.700 0.075 0.000 1.086 831 E HN 0.406 nan 8.360 nan 0.000 0.397 832 I N 3.739 124.406 120.570 0.161 0.000 2.354 832 I HA 0.239 4.438 4.170 0.047 0.000 0.286 832 I C -0.757 175.439 176.117 0.132 0.000 1.007 832 I CA -0.659 60.743 61.300 0.171 0.000 1.167 832 I CB 0.372 38.520 38.000 0.247 0.000 1.320 832 I HN 0.286 nan 8.210 nan 0.000 0.458 833 L N 6.049 127.331 121.223 0.098 0.000 2.334 833 L HA 0.474 4.842 4.340 0.047 0.000 0.273 833 L C 0.282 177.189 176.870 0.062 0.000 1.013 833 L CA -0.702 54.183 54.840 0.076 0.000 0.816 833 L CB 1.255 43.350 42.059 0.060 0.000 1.278 833 L HN 0.563 nan 8.230 nan 0.000 0.431 834 N N 0.299 119.031 118.700 0.053 0.000 2.431 834 N HA 0.247 5.015 4.740 0.047 0.000 0.289 834 N C 1.130 176.655 175.510 0.025 0.000 1.277 834 N CA -0.074 52.998 53.050 0.036 0.000 0.972 834 N CB -0.047 38.461 38.487 0.036 0.000 1.143 834 N HN 0.618 nan 8.380 nan 0.000 0.578 835 G N -1.573 107.234 108.800 0.011 0.000 2.559 835 G HA2 -0.177 3.811 3.960 0.047 0.000 0.216 835 G HA3 -0.177 3.811 3.960 0.047 0.000 0.216 835 G C 0.476 175.384 174.900 0.012 0.000 1.126 835 G CA 0.352 45.456 45.100 0.008 0.000 0.778 835 G HN 0.556 nan 8.290 nan 0.000 0.543 836 K N 0.048 120.458 120.400 0.017 0.000 2.576 836 K HA 0.319 4.667 4.320 0.047 0.000 0.209 836 K C 1.525 178.138 176.600 0.022 0.000 1.049 836 K CA 0.178 56.475 56.287 0.018 0.000 1.140 836 K CB 0.581 33.092 32.500 0.017 0.000 0.871 836 K HN 0.174 nan 8.250 nan 0.000 0.479 837 G N 1.550 110.366 108.800 0.026 0.000 2.238 837 G HA2 -0.379 3.609 3.960 0.047 0.000 0.270 837 G HA3 -0.379 3.609 3.960 0.047 0.000 0.270 837 G C 0.229 175.149 174.900 0.034 0.000 0.977 837 G CA 0.600 45.717 45.100 0.029 0.000 0.639 837 G HN 0.452 nan 8.290 nan 0.000 0.544 838 Q N -0.558 119.263 119.800 0.035 0.000 2.651 838 Q HA 0.440 4.808 4.340 0.047 0.000 0.224 838 Q C 0.311 176.340 176.000 0.049 0.000 1.094 838 Q CA 0.315 56.141 55.803 0.038 0.000 1.018 838 Q CB 0.323 29.085 28.738 0.039 0.000 1.292 838 Q HN 0.145 nan 8.270 nan 0.000 0.588 839 K N 0.414 120.844 120.400 0.050 0.000 2.299 839 K HA 0.175 4.524 4.320 0.047 0.000 0.268 839 K C -0.030 176.618 176.600 0.079 0.000 1.075 839 K CA -0.079 56.245 56.287 0.061 0.000 0.936 839 K CB 0.667 33.192 32.500 0.042 0.000 1.228 839 K HN 0.452 nan 8.250 nan 0.000 0.454 840 V N 2.036 122.020 119.914 0.118 0.000 2.427 840 V HA 0.119 4.268 4.120 0.047 0.000 0.248 840 V C 1.131 177.344 176.094 0.198 0.000 1.051 840 V CA 1.470 63.873 62.300 0.171 0.000 1.048 840 V CB -0.648 31.302 31.823 0.212 0.000 0.666 840 V HN 0.907 nan 8.190 nan 0.000 0.456 844 D N 1.237 121.291 120.400 -0.578 0.000 2.492 844 D HA 0.666 5.335 4.640 0.047 0.000 0.248 844 D C -1.382 174.499 176.300 -0.700 0.000 1.101 844 D CA 0.337 54.048 54.000 -0.482 0.000 0.840 844 D CB 1.478 42.119 40.800 -0.266 0.000 1.209 844 D HN 0.268 nan 8.370 nan 0.000 0.524 845 F N 0.560 120.379 119.950 -0.219 0.000 2.546 845 F HA 0.524 5.081 4.527 0.049 0.000 0.320 845 F C 0.178 175.666 175.800 -0.519 0.000 1.076 845 F CA -0.971 56.769 58.000 -0.434 0.000 0.928 845 F CB 1.973 40.628 39.000 -0.575 0.000 1.189 845 F HN -0.069 nan 8.300 nan 0.000 0.465 846 V N 2.778 122.438 119.914 -0.423 0.000 2.532 846 V HA 0.314 4.463 4.120 0.047 0.000 0.294 846 V C -1.484 174.360 176.094 -0.416 0.000 1.036 846 V CA -0.967 61.123 62.300 -0.349 0.000 0.876 846 V CB 1.110 32.824 31.823 -0.181 0.000 1.012 846 V HN 0.505 nan 8.190 nan 0.000 0.432 847 Y N 2.915 123.138 120.300 -0.128 0.000 2.335 847 Y HA 0.809 5.387 4.550 0.047 0.000 0.339 847 Y C 0.448 176.198 175.900 -0.250 0.000 0.987 847 Y CA -0.801 57.105 58.100 -0.324 0.000 1.140 847 Y CB 1.901 39.975 38.460 -0.644 0.000 1.173 847 Y HN 0.722 nan 8.280 nan 0.000 0.486 848 A N 4.356 127.139 122.820 -0.062 0.000 2.427 848 A HA 0.749 5.098 4.320 0.047 0.000 0.298 848 A C -1.421 176.179 177.584 0.028 0.000 1.036 848 A CA -0.768 51.285 52.037 0.028 0.000 0.701 848 A CB 0.994 20.003 19.000 0.016 0.000 1.250 848 A HN 0.763 nan 8.150 nan 0.000 0.412 849 L N 2.447 123.748 121.223 0.129 0.000 2.292 849 L HA 0.315 4.683 4.340 0.047 0.000 0.284 849 L C 0.126 177.014 176.870 0.031 0.000 1.065 849 L CA -0.756 54.138 54.840 0.091 0.000 0.806 849 L CB 1.037 43.198 42.059 0.170 0.000 1.175 849 L HN 0.710 nan 8.230 nan 0.000 0.431 850 D N 1.629 122.018 120.400 -0.017 0.000 2.414 850 D HA 0.069 4.738 4.640 0.047 0.000 0.251 850 D C 0.807 177.105 176.300 -0.004 0.000 1.252 850 D CA -0.144 53.843 54.000 -0.021 0.000 0.999 850 D CB 1.131 41.897 40.800 -0.056 0.000 1.093 850 D HN 0.432 nan 8.370 nan 0.000 0.515 851 K N -0.158 120.242 120.400 -0.000 0.000 2.167 851 K HA -0.101 4.248 4.320 0.047 0.000 0.203 851 K C 1.082 177.682 176.600 0.001 0.000 1.052 851 K CA 0.782 57.070 56.287 0.002 0.000 0.956 851 K CB -0.068 32.434 32.500 0.003 0.000 0.735 851 K HN 0.334 nan 8.250 nan 0.000 0.451 852 N N -0.298 118.404 118.700 0.003 0.000 2.313 852 N HA 0.082 4.851 4.740 0.047 0.000 0.207 852 N C 0.623 176.139 175.510 0.010 0.000 1.141 852 N CA 0.466 53.523 53.050 0.011 0.000 0.830 852 N CB 0.761 39.265 38.487 0.029 0.000 1.008 852 N HN 0.161 nan 8.380 nan 0.000 0.481 853 G N -1.784 107.012 108.800 -0.006 0.000 2.148 853 G HA2 -0.225 3.763 3.960 0.047 0.000 0.254 853 G HA3 -0.225 3.763 3.960 0.047 0.000 0.254 853 G C 0.176 175.044 174.900 -0.053 0.000 0.981 853 G CA 0.044 45.138 45.100 -0.011 0.000 0.670 853 G HN 0.819 nan 8.290 nan 0.000 0.528 854 A N -0.434 122.302 122.820 -0.140 0.000 2.327 854 A HA 0.770 5.118 4.320 0.047 0.000 0.283 854 A C -0.007 177.431 177.584 -0.244 0.000 1.127 854 A CA -0.184 51.634 52.037 -0.365 0.000 0.810 854 A CB 1.126 19.619 19.000 -0.844 0.000 1.066 854 A HN 1.411 nan 8.150 nan 0.000 0.492 855 L N 2.199 123.281 121.223 -0.235 0.000 2.276 855 L HA 0.414 4.782 4.340 0.047 0.000 0.286 855 L C 0.158 176.935 176.870 -0.155 0.000 1.024 855 L CA -0.148 54.596 54.840 -0.160 0.000 0.826 855 L CB 0.888 42.853 42.059 -0.157 0.000 1.211 855 L HN 0.682 nan 8.230 nan 0.000 0.422 856 K N 4.528 124.858 120.400 -0.117 0.000 2.227 856 K HA 0.496 4.844 4.320 0.047 0.000 0.280 856 K C -1.451 175.124 176.600 -0.042 0.000 1.041 856 K CA -0.550 55.695 56.287 -0.070 0.000 0.905 856 K CB 1.004 33.469 32.500 -0.059 0.000 1.068 856 K HN 0.515 nan 8.250 nan 0.000 0.470 857 V N 6.189 126.105 119.914 0.003 0.000 2.326 857 V HA 0.342 4.490 4.120 0.047 0.000 0.281 857 V C -0.204 175.861 176.094 -0.048 0.000 1.015 857 V CA -0.799 61.518 62.300 0.028 0.000 0.823 857 V CB 0.980 32.881 31.823 0.130 0.000 1.009 857 V HN 0.763 nan 8.190 nan 0.000 0.436 858 R N 2.746 123.163 120.500 -0.139 0.000 2.368 858 R HA 0.755 5.123 4.340 0.047 0.000 0.302 858 R C -0.481 175.652 176.300 -0.279 0.000 1.002 858 R CA -0.339 55.636 56.100 -0.210 0.000 0.929 858 R CB 1.753 31.949 30.300 -0.173 0.000 1.073 858 R HN 0.638 nan 8.270 nan 0.000 0.464 859 T N 1.207 115.465 114.554 -0.494 0.000 2.916 859 T HA 0.360 4.738 4.350 0.047 0.000 0.298 859 T C -0.781 173.595 174.700 -0.538 0.000 1.031 859 T CA -0.606 61.148 62.100 -0.577 0.000 0.993 859 T CB 2.177 70.603 68.868 -0.737 0.000 1.045 859 T HN 0.405 nan 8.240 nan 0.000 0.454 860 T N 2.935 117.279 114.554 -0.351 0.000 2.879 860 T HA 0.610 4.988 4.350 0.047 0.000 0.290 860 T C -1.529 173.153 174.700 -0.030 0.000 0.993 860 T CA -0.507 61.503 62.100 -0.150 0.000 0.975 860 T CB 0.775 69.556 68.868 -0.146 0.000 0.981 860 T HN 0.446 nan 8.240 nan 0.000 0.439 861 F N 3.421 123.340 119.950 -0.053 0.000 2.507 861 F HA 0.664 5.196 4.527 0.009 0.000 0.325 861 F C -0.489 175.310 175.800 -0.001 0.000 1.116 861 F CA -1.123 56.866 58.000 -0.019 0.000 0.930 861 F CB 1.962 41.018 39.000 0.092 0.000 1.146 861 F HN 0.372 nan 8.300 nan 0.000 0.447 862 Q N 8.648 128.016 119.800 -0.722 0.000 2.381 862 Q HA 0.476 4.844 4.340 0.047 0.000 0.263 862 Q C -2.909 172.524 176.000 -0.945 0.000 1.030 862 Q CA -2.462 52.972 55.803 -0.614 0.000 0.772 862 Q CB 1.543 30.098 28.738 -0.305 0.000 1.232 862 Q HN 0.349 nan 8.270 nan 0.000 0.476 863 P HA 0.167 nan 4.420 nan 0.000 0.279 863 P C -0.854 176.311 177.300 -0.224 0.000 1.252 863 P CA -0.384 62.379 63.100 -0.561 0.000 0.811 863 P CB 1.054 32.622 31.700 -0.220 0.000 1.035 864 D N 1.103 121.446 120.400 -0.095 0.000 2.479 864 D HA 0.056 4.724 4.640 0.047 0.000 0.218 864 D C 1.271 177.569 176.300 -0.003 0.000 1.131 864 D CA -0.292 53.683 54.000 -0.042 0.000 0.916 864 D CB -0.073 40.721 40.800 -0.009 0.000 1.022 864 D HN 0.231 nan 8.370 nan 0.000 0.515 865 T N 0.600 115.147 114.554 -0.011 0.000 3.093 865 T HA -0.159 4.220 4.350 0.047 0.000 0.270 865 T C 1.601 176.315 174.700 0.023 0.000 1.170 865 T CA 0.896 63.004 62.100 0.013 0.000 1.072 865 T CB -0.117 68.754 68.868 0.005 0.000 0.863 865 T HN 0.297 nan 8.240 nan 0.000 0.562 866 A N 0.840 123.672 122.820 0.019 0.000 1.975 866 A HA 0.382 4.731 4.320 0.047 0.000 0.215 866 A C 2.207 179.811 177.584 0.034 0.000 1.170 866 A CA 0.634 52.684 52.037 0.022 0.000 0.656 866 A CB -0.245 18.764 19.000 0.015 0.000 0.821 866 A HN 0.610 nan 8.150 nan 0.000 0.449 867 I N -0.911 119.685 120.570 0.045 0.000 3.172 867 I HA 0.046 4.244 4.170 0.047 0.000 0.278 867 I C -0.262 175.906 176.117 0.084 0.000 1.174 867 I CA 0.326 61.662 61.300 0.060 0.000 1.445 867 I CB 0.648 38.686 38.000 0.062 0.000 1.175 867 I HN -0.087 nan 8.210 nan 0.000 0.447 868 V N 3.536 123.507 119.914 0.095 0.000 2.334 868 V HA 0.179 4.327 4.120 0.047 0.000 0.267 868 V C 0.776 176.942 176.094 0.120 0.000 1.040 868 V CA -0.315 62.064 62.300 0.132 0.000 0.866 868 V CB 0.843 32.763 31.823 0.162 0.000 1.019 868 V HN 0.200 nan 8.190 nan 0.000 0.468 869 K N 1.949 122.428 120.400 0.132 0.000 2.361 869 K HA 0.313 4.662 4.320 0.047 0.000 0.194 869 K C 0.651 177.342 176.600 0.151 0.000 1.032 869 K CA 0.269 56.624 56.287 0.113 0.000 1.048 869 K CB 0.981 33.532 32.500 0.085 0.000 0.842 869 K HN 0.599 nan 8.250 nan 0.000 0.526 873 R N -1.647 118.617 120.500 -0.393 0.000 2.826 873 R HA 0.802 5.170 4.340 0.047 0.000 0.269 873 R C -2.106 174.093 176.300 -0.168 0.000 1.031 873 R CA -0.665 55.301 56.100 -0.223 0.000 0.900 873 R CB 0.715 30.882 30.300 -0.222 0.000 1.318 873 R HN 0.705 nan 8.270 nan 0.000 0.447 874 L N 0.198 121.329 121.223 -0.155 0.000 2.555 874 L HA 0.799 5.168 4.340 0.047 0.000 0.264 874 L C -0.997 175.657 176.870 -0.360 0.000 0.972 874 L CA 0.591 55.313 54.840 -0.196 0.000 0.876 874 L CB 1.708 43.683 42.059 -0.140 0.000 1.216 874 L HN 1.046 nan 8.230 nan 0.000 0.415 875 G N 3.560 112.225 108.800 -0.226 0.000 2.494 875 G HA2 0.465 4.453 3.960 0.047 0.000 0.308 875 G HA3 0.465 4.453 3.960 0.047 0.000 0.308 875 G C -1.985 173.019 174.900 0.174 0.000 1.263 875 G CA -0.772 44.241 45.100 -0.145 0.000 0.840 875 G HN 0.513 nan 8.290 nan 0.000 0.479 876 L N -0.207 121.117 121.223 0.167 0.000 2.322 876 L HA 0.853 5.222 4.340 0.047 0.000 0.269 876 L C 0.071 176.958 176.870 0.029 0.000 1.012 876 L CA -0.824 54.114 54.840 0.162 0.000 0.815 876 L CB 2.315 44.486 42.059 0.186 0.000 1.295 876 L HN 0.655 nan 8.230 nan 0.000 0.438 877 T N 1.022 115.589 114.554 0.021 0.000 2.923 877 T HA 0.753 5.131 4.350 0.047 0.000 0.311 877 T C -1.381 173.330 174.700 0.018 0.000 1.183 877 T CA -0.365 61.609 62.100 -0.209 0.000 1.020 877 T CB 1.212 69.817 68.868 -0.438 0.000 1.165 877 T HN 0.505 nan 8.240 nan 0.000 0.482 878 F N 0.774 120.587 119.950 -0.230 0.000 2.926 878 F HA 0.810 5.364 4.527 0.045 0.000 0.321 878 F C -1.244 174.479 175.800 -0.128 0.000 1.168 878 F CA -1.373 56.535 58.000 -0.152 0.000 0.890 878 F CB 0.954 39.871 39.000 -0.139 0.000 1.357 878 F HN 0.614 nan 8.300 nan 0.000 0.468 882 D N 0.942 121.377 120.400 0.058 0.000 2.378 882 D HA 0.080 4.748 4.640 0.047 0.000 0.222 882 D C 1.433 177.725 176.300 -0.012 0.000 0.980 882 D CA 1.416 55.427 54.000 0.019 0.000 0.907 882 D CB -0.165 40.617 40.800 -0.030 0.000 0.899 882 D HN 0.802 nan 8.370 nan 0.000 0.527 883 A N -0.119 122.646 122.820 -0.090 0.000 1.972 883 A HA -0.130 4.218 4.320 0.047 0.000 0.219 883 A C 0.472 177.917 177.584 -0.231 0.000 1.169 883 A CA 0.509 52.419 52.037 -0.212 0.000 0.635 883 A CB -1.038 17.747 19.000 -0.359 0.000 0.810 883 A HN 0.340 nan 8.150 nan 0.000 0.446 884 Y N 1.593 121.909 120.300 0.026 0.000 2.530 884 Y HA 0.121 4.701 4.550 0.049 0.000 0.340 884 Y C 1.236 177.159 175.900 0.038 0.000 1.247 884 Y CA -0.160 57.965 58.100 0.041 0.000 1.727 884 Y CB -0.167 38.325 38.460 0.053 0.000 1.613 884 Y HN 0.560 nan 8.280 nan 0.000 0.464 885 N N -0.419 118.354 118.700 0.120 0.000 2.197 885 N HA -0.014 4.754 4.740 0.047 0.000 0.201 885 N C -0.246 175.333 175.510 0.115 0.000 1.148 885 N CA 0.047 53.154 53.050 0.096 0.000 0.883 885 N CB 0.382 38.897 38.487 0.047 0.000 1.012 885 N HN 0.319 nan 8.380 nan 0.000 0.507 886 Q N 1.518 121.398 119.800 0.134 0.000 2.337 886 Q HA 0.322 4.690 4.340 0.047 0.000 0.255 886 Q C -0.581 175.527 176.000 0.179 0.000 0.997 886 Q CA -0.274 55.615 55.803 0.142 0.000 0.925 886 Q CB 2.048 30.864 28.738 0.130 0.000 1.212 886 Q HN 0.020 nan 8.270 nan 0.000 0.436 887 V N 1.648 121.681 119.914 0.198 0.000 2.513 887 V HA 0.602 4.750 4.120 0.047 0.000 0.299 887 V C 0.067 176.342 176.094 0.303 0.000 1.035 887 V CA -0.516 61.938 62.300 0.256 0.000 0.889 887 V CB 1.911 33.907 31.823 0.289 0.000 0.988 887 V HN 0.701 nan 8.190 nan 0.000 0.440 888 S N 3.374 119.282 115.700 0.347 0.000 2.549 888 S HA 0.923 5.421 4.470 0.047 0.000 0.280 888 S C -1.556 173.286 174.600 0.404 0.000 1.109 888 S CA -0.510 57.892 58.200 0.337 0.000 0.905 888 S CB 1.626 65.048 63.200 0.371 0.000 1.081 888 S HN 0.891 nan 8.310 nan 0.000 0.477 889 Y N 1.128 121.416 120.300 -0.021 0.000 2.662 889 Y HA 0.720 5.299 4.550 0.048 0.000 0.334 889 Y C -2.035 173.418 175.900 -0.745 0.000 1.185 889 Y CA -1.398 56.445 58.100 -0.428 0.000 1.074 889 Y CB 0.678 39.086 38.460 -0.088 0.000 1.330 889 Y HN 0.545 nan 8.280 nan 0.000 0.458 890 L N 2.767 123.332 121.223 -1.097 0.000 2.294 890 L HA 1.013 5.381 4.340 0.047 0.000 0.283 890 L C -0.204 176.461 176.870 -0.341 0.000 1.015 890 L CA 0.303 54.641 54.840 -0.837 0.000 0.831 890 L CB 0.934 42.272 42.059 -1.201 0.000 1.217 890 L HN 1.237 nan 8.230 nan 0.000 0.420 891 G N 3.563 112.314 108.800 -0.082 0.000 2.320 891 G HA2 0.175 4.163 3.960 0.047 0.000 0.296 891 G HA3 0.175 4.163 3.960 0.047 0.000 0.296 891 G C -1.565 173.339 174.900 0.007 0.000 1.306 891 G CA -1.206 43.870 45.100 -0.040 0.000 0.836 891 G HN 0.637 nan 8.290 nan 0.000 0.517 892 R N 0.127 120.565 120.500 -0.104 0.000 2.483 892 R HA 0.442 4.810 4.340 0.047 0.000 0.329 892 R C 0.643 176.823 176.300 -0.201 0.000 0.961 892 R CA 1.063 57.065 56.100 -0.163 0.000 1.041 892 R CB -0.402 29.769 30.300 -0.215 0.000 0.930 892 R HN 0.866 nan 8.270 nan 0.000 0.413 893 G N 1.905 110.515 108.800 -0.317 0.000 2.685 893 G HA2 0.290 4.278 3.960 0.047 0.000 0.298 893 G HA3 0.290 4.278 3.960 0.047 0.000 0.298 893 G C -0.667 173.565 174.900 -1.113 0.000 1.277 893 G CA -0.126 44.432 45.100 -0.904 0.000 0.986 893 G HN 0.760 nan 8.290 nan 0.000 0.487 894 D N -0.831 118.956 120.400 -1.021 0.000 2.835 894 D HA -0.173 4.495 4.640 0.047 0.000 0.230 894 D C 0.011 176.245 176.300 -0.111 0.000 1.130 894 D CA 1.902 55.627 54.000 -0.459 0.000 0.738 894 D CB -1.784 38.828 40.800 -0.313 0.000 1.090 894 D HN 1.147 nan 8.370 nan 0.000 0.433 895 H N -1.752 117.176 119.070 -0.236 0.000 2.868 895 H HA 0.113 4.698 4.556 0.047 0.000 0.258 895 H C -1.268 173.923 175.328 -0.228 0.000 1.271 895 H CA -0.529 55.409 56.048 -0.184 0.000 1.607 895 H CB 0.045 29.727 29.762 -0.134 0.000 1.874 895 H HN 0.146 nan 8.280 nan 0.000 0.487 896 E N 2.081 122.227 120.200 -0.090 0.000 2.480 896 E HA 0.227 4.605 4.350 0.047 0.000 0.258 896 E C -0.386 176.100 176.600 -0.190 0.000 0.984 896 E CA 1.096 57.373 56.400 -0.206 0.000 0.930 896 E CB 0.590 30.225 29.700 -0.108 0.000 0.936 896 E HN 0.672 nan 8.360 nan 0.000 0.466 897 T N 1.284 115.579 114.554 -0.432 0.000 2.841 897 T HA 0.549 4.927 4.350 0.047 0.000 0.296 897 T C -1.118 173.187 174.700 -0.658 0.000 1.166 897 T CA -0.774 61.122 62.100 -0.340 0.000 1.007 897 T CB 0.826 69.511 68.868 -0.305 0.000 1.253 897 T HN 0.388 nan 8.240 nan 0.000 0.511 898 Y N -0.560 119.651 120.300 -0.147 0.000 2.644 898 Y HA 0.459 5.037 4.550 0.046 0.000 0.338 898 Y C 1.681 177.487 175.900 -0.157 0.000 1.119 898 Y CA -1.451 56.559 58.100 -0.149 0.000 1.060 898 Y CB 1.506 39.880 38.460 -0.144 0.000 1.294 898 Y HN 0.761 nan 8.280 nan 0.000 0.472 899 I N -1.334 119.244 120.570 0.014 0.000 2.315 899 I HA -0.195 4.003 4.170 0.047 0.000 0.251 899 I C 0.963 176.896 176.117 -0.306 0.000 1.125 899 I CA 2.154 63.426 61.300 -0.047 0.000 1.392 899 I CB -0.169 37.889 38.000 0.097 0.000 1.065 899 I HN 0.619 nan 8.210 nan 0.000 0.424 900 D N 1.278 121.374 120.400 -0.506 0.000 2.388 900 D HA 0.044 4.713 4.640 0.047 0.000 0.221 900 D C 0.820 176.928 176.300 -0.320 0.000 1.133 900 D CA -0.179 53.310 54.000 -0.852 0.000 0.831 900 D CB -0.017 40.167 40.800 -1.025 0.000 0.962 900 D HN 0.498 nan 8.370 nan 0.000 0.502 901 R N 1.049 121.459 120.500 -0.149 0.000 2.672 901 R HA 0.084 4.452 4.340 0.047 0.000 0.228 901 R C -0.940 175.348 176.300 -0.020 0.000 1.501 901 R CA -0.100 55.976 56.100 -0.040 0.000 1.514 901 R CB -0.342 29.975 30.300 0.029 0.000 1.489 901 R HN 0.048 nan 8.270 nan 0.000 0.747 902 N N 0.036 118.709 118.700 -0.045 0.000 2.475 902 N HA -0.015 4.754 4.740 0.047 0.000 0.272 902 N C 0.168 175.657 175.510 -0.036 0.000 1.482 902 N CA -0.410 52.605 53.050 -0.058 0.000 0.863 902 N CB 0.658 39.086 38.487 -0.100 0.000 1.400 902 N HN 0.175 nan 8.380 nan 0.000 0.489 903 Q N 0.261 120.053 119.800 -0.014 0.000 2.245 903 Q HA 0.067 4.435 4.340 0.047 0.000 0.201 903 Q C 0.632 176.630 176.000 -0.003 0.000 0.955 903 Q CA 0.587 56.378 55.803 -0.020 0.000 0.870 903 Q CB 0.028 28.750 28.738 -0.027 0.000 0.945 903 Q HN 0.630 nan 8.270 nan 0.000 0.461 904 S N -0.755 114.985 115.700 0.067 0.000 2.645 904 S HA 0.584 5.082 4.470 0.047 0.000 0.266 904 S C 0.746 175.487 174.600 0.235 0.000 1.258 904 S CA -0.014 58.322 58.200 0.226 0.000 0.990 904 S CB 1.414 64.812 63.200 0.329 0.000 0.967 904 S HN 0.509 nan 8.310 nan 0.000 0.556 905 G N 0.860 109.912 108.800 0.419 0.000 2.796 905 G HA2 0.045 4.033 3.960 0.047 0.000 0.226 905 G HA3 0.045 4.033 3.960 0.047 0.000 0.226 905 G C -0.912 174.033 174.900 0.075 0.000 1.381 905 G CA -0.154 45.004 45.100 0.098 0.000 0.867 905 G HN 1.095 nan 8.290 nan 0.000 0.552 906 R N -1.505 118.976 120.500 -0.032 0.000 2.764 906 R HA 0.727 5.095 4.340 0.047 0.000 0.270 906 R C -0.228 176.024 176.300 -0.079 0.000 1.014 906 R CA -1.021 55.054 56.100 -0.041 0.000 0.904 906 R CB 0.830 31.116 30.300 -0.024 0.000 1.236 906 R HN 0.601 nan 8.270 nan 0.000 0.466 907 I N 0.950 121.377 120.570 -0.239 0.000 2.529 907 I HA 0.625 4.823 4.170 0.047 0.000 0.284 907 I C 0.661 176.500 176.117 -0.464 0.000 1.082 907 I CA 0.535 61.607 61.300 -0.380 0.000 1.406 907 I CB 1.168 38.761 38.000 -0.679 0.000 1.405 907 I HN 0.862 nan 8.210 nan 0.000 0.548 908 G N 5.435 114.066 108.800 -0.282 0.000 2.342 908 G HA2 0.352 4.340 3.960 0.047 0.000 0.297 908 G HA3 0.352 4.340 3.960 0.047 0.000 0.297 908 G C -1.512 173.051 174.900 -0.561 0.000 1.313 908 G CA -1.007 43.850 45.100 -0.405 0.000 0.830 908 G HN 0.376 nan 8.290 nan 0.000 0.506 909 L N 0.557 121.407 121.223 -0.621 0.000 2.290 909 L HA 0.556 4.924 4.340 0.047 0.000 0.284 909 L C -0.909 175.432 176.870 -0.882 0.000 1.078 909 L CA -0.448 54.051 54.840 -0.567 0.000 0.815 909 L CB 0.642 42.552 42.059 -0.249 0.000 1.162 909 L HN 0.487 nan 8.230 nan 0.000 0.435 910 Y N 1.090 121.057 120.300 -0.555 0.000 2.477 910 Y HA 0.429 5.007 4.550 0.047 0.000 0.347 910 Y C -0.354 175.340 175.900 -0.343 0.000 0.981 910 Y CA -1.052 56.733 58.100 -0.526 0.000 1.033 910 Y CB 2.066 40.009 38.460 -0.862 0.000 1.245 910 Y HN 0.462 nan 8.280 nan 0.000 0.455 911 D N 1.077 121.495 120.400 0.029 0.000 2.498 911 D HA 0.554 5.222 4.640 0.047 0.000 0.247 911 D C -0.534 175.849 176.300 0.138 0.000 1.070 911 D CA -0.091 53.965 54.000 0.093 0.000 0.842 911 D CB 2.687 43.531 40.800 0.074 0.000 1.361 911 D HN 0.592 nan 8.370 nan 0.000 0.484 912 T N -0.517 114.141 114.554 0.174 0.000 2.661 912 T HA 0.504 4.883 4.350 0.047 0.000 0.305 912 T C -1.394 173.401 174.700 0.158 0.000 1.535 912 T CA -0.318 61.880 62.100 0.164 0.000 1.000 912 T CB 1.127 70.110 68.868 0.193 0.000 1.811 912 T HN 0.432 nan 8.240 nan 0.000 0.471 913 T N -0.670 113.966 114.554 0.137 0.000 2.916 913 T HA 0.621 4.999 4.350 0.047 0.000 0.292 913 T C 1.307 176.076 174.700 0.115 0.000 1.064 913 T CA -0.236 61.936 62.100 0.119 0.000 1.011 913 T CB 1.125 70.047 68.868 0.091 0.000 1.152 913 T HN 0.357 nan 8.240 nan 0.000 0.510 914 V N 1.138 121.109 119.914 0.095 0.000 2.295 914 V HA -0.133 4.016 4.120 0.047 0.000 0.246 914 V C 2.815 178.950 176.094 0.069 0.000 1.049 914 V CA 1.780 64.126 62.300 0.076 0.000 1.024 914 V CB -0.820 31.025 31.823 0.037 0.000 0.648 914 V HN 0.868 nan 8.190 nan 0.000 0.447 915 E N 0.169 120.400 120.200 0.051 0.000 2.118 915 E HA -0.170 4.209 4.350 0.047 0.000 0.195 915 E C 1.627 178.315 176.600 0.146 0.000 0.992 915 E CA 0.635 57.080 56.400 0.075 0.000 0.804 915 E CB -0.195 29.543 29.700 0.063 0.000 0.741 915 E HN 0.583 nan 8.360 nan 0.000 0.458 919 H N 4.777 123.403 119.070 -0.740 0.000 2.527 919 H HA 0.407 4.991 4.556 0.047 0.000 0.321 919 H C -1.214 173.636 175.328 -0.798 0.000 1.087 919 H CA -0.045 55.632 56.048 -0.618 0.000 1.337 919 H CB 0.776 30.137 29.762 -0.668 0.000 1.440 919 H HN 0.492 nan 8.280 nan 0.000 0.490 920 Y N 5.299 125.233 120.300 -0.609 0.000 2.636 920 Y HA 0.078 4.657 4.550 0.048 0.000 0.334 920 Y C -0.482 175.375 175.900 -0.073 0.000 1.286 920 Y CA -0.262 57.755 58.100 -0.138 0.000 1.688 920 Y CB -0.905 37.654 38.460 0.165 0.000 1.662 920 Y HN 0.593 nan 8.280 nan 0.000 0.465 921 Y N 0.225 120.606 120.300 0.135 0.000 2.497 921 Y HA 0.132 4.710 4.550 0.047 0.000 0.334 921 Y C 1.640 177.695 175.900 0.259 0.000 1.199 921 Y CA 0.224 58.418 58.100 0.156 0.000 1.425 921 Y CB 0.754 39.210 38.460 -0.007 0.000 1.291 921 Y HN 0.620 nan 8.280 nan 0.000 0.562 922 A N 2.137 125.215 122.820 0.430 0.000 1.915 922 A HA -0.196 4.153 4.320 0.047 0.000 0.220 922 A C 1.104 178.913 177.584 0.374 0.000 1.198 922 A CA 2.059 54.388 52.037 0.487 0.000 0.647 922 A CB -1.000 18.190 19.000 0.318 0.000 0.825 922 A HN 0.677 nan 8.150 nan 0.000 0.456 923 T N 1.778 116.452 114.554 0.200 0.000 2.743 923 T HA 0.477 4.855 4.350 0.047 0.000 0.292 923 T C -2.747 172.022 174.700 0.114 0.000 0.972 923 T CA -1.087 61.067 62.100 0.090 0.000 0.967 923 T CB 1.342 70.133 68.868 -0.127 0.000 0.926 923 T HN 0.042 nan 8.240 nan 0.000 0.459 924 P HA 0.053 nan 4.420 nan 0.000 0.261 924 P C -0.257 177.103 177.300 0.099 0.000 1.183 924 P CA 0.180 63.379 63.100 0.165 0.000 0.761 924 P CB 0.303 32.082 31.700 0.131 0.000 0.785 925 Q N 0.658 120.511 119.800 0.088 0.000 2.737 925 Q HA 0.477 4.845 4.340 0.047 0.000 0.307 925 Q C -1.010 174.984 176.000 -0.010 0.000 0.905 925 Q CA -1.086 54.713 55.803 -0.008 0.000 0.753 925 Q CB 0.522 29.171 28.738 -0.148 0.000 1.463 925 Q HN 0.073 nan 8.270 nan 0.000 0.455 926 S N 0.498 116.156 115.700 -0.070 0.000 2.558 926 S HA 0.332 4.830 4.470 0.047 0.000 0.291 926 S C -0.198 174.386 174.600 -0.026 0.000 1.306 926 S CA 0.818 58.983 58.200 -0.057 0.000 1.056 926 S CB 0.527 63.654 63.200 -0.121 0.000 0.836 926 S HN 0.581 nan 8.310 nan 0.000 0.504 927 T N -0.176 114.376 114.554 -0.004 0.000 2.700 927 T HA 0.504 4.882 4.350 0.047 0.000 0.307 927 T C -0.440 174.215 174.700 -0.074 0.000 1.580 927 T CA 0.553 62.655 62.100 0.003 0.000 0.992 927 T CB 0.348 69.084 68.868 -0.221 0.000 1.577 927 T HN 1.691 nan 8.240 nan 0.000 0.496 928 A N 1.346 124.087 122.820 -0.131 0.000 2.952 928 A HA -0.136 4.212 4.320 0.047 0.000 0.252 928 A C 0.334 177.691 177.584 -0.378 0.000 1.323 928 A CA 1.216 53.128 52.037 -0.209 0.000 0.957 928 A CB -2.704 16.228 19.000 -0.113 0.000 1.130 928 A HN 0.981 nan 8.150 nan 0.000 0.799 929 N N 0.127 118.560 118.700 -0.445 0.000 2.525 929 N HA 0.364 5.132 4.740 0.047 0.000 0.271 929 N C -0.324 174.713 175.510 -0.788 0.000 1.194 929 N CA -0.076 52.574 53.050 -0.666 0.000 0.964 929 N CB 0.250 38.230 38.487 -0.845 0.000 1.126 929 N HN 0.362 nan 8.380 nan 0.000 0.452 930 R N 1.326 121.314 120.500 -0.854 0.000 2.561 930 R HA 0.312 4.681 4.340 0.047 0.000 0.297 930 R C -0.350 175.630 176.300 -0.534 0.000 0.969 930 R CA -0.552 55.082 56.100 -0.778 0.000 0.879 930 R CB 1.518 31.157 30.300 -1.100 0.000 1.178 930 R HN 0.720 nan 8.270 nan 0.000 0.445 931 T N -2.135 112.173 114.554 -0.410 0.000 2.936 931 T HA 0.291 4.670 4.350 0.047 0.000 0.282 931 T C -0.107 174.459 174.700 -0.223 0.000 1.003 931 T CA -0.589 61.347 62.100 -0.273 0.000 1.005 931 T CB 0.923 69.657 68.868 -0.223 0.000 1.097 931 T HN 0.545 nan 8.240 nan 0.000 0.532 932 D N -0.400 119.902 120.400 -0.165 0.000 2.701 932 D HA -0.119 4.549 4.640 0.047 0.000 0.235 932 D C -0.393 175.784 176.300 -0.205 0.000 1.155 932 D CA 0.358 54.273 54.000 -0.142 0.000 0.649 932 D CB -1.670 39.064 40.800 -0.111 0.000 1.050 932 D HN 0.485 nan 8.370 nan 0.000 0.425 933 V N 0.474 120.179 119.914 -0.350 0.000 2.461 933 V HA 0.167 4.315 4.120 0.047 0.000 0.275 933 V C 1.569 177.318 176.094 -0.575 0.000 1.047 933 V CA -0.161 61.837 62.300 -0.504 0.000 0.955 933 V CB 1.867 33.268 31.823 -0.702 0.000 0.988 933 V HN 0.010 nan 8.190 nan 0.000 0.471 934 R N 3.597 123.917 120.500 -0.299 0.000 2.090 934 R HA 0.197 4.565 4.340 0.047 0.000 0.219 934 R C 0.191 176.620 176.300 0.215 0.000 1.100 934 R CA 0.882 56.958 56.100 -0.042 0.000 0.991 934 R CB 0.309 30.590 30.300 -0.032 0.000 0.893 934 R HN 0.859 nan 8.270 nan 0.000 0.443 935 W N -2.514 118.786 121.300 0.001 0.000 3.146 935 W HA 0.755 5.442 4.660 0.046 0.000 0.319 935 W C -1.817 174.620 176.519 -0.136 0.000 1.258 935 W CA -1.469 55.864 57.345 -0.019 0.000 1.189 935 W CB 0.823 30.192 29.460 -0.152 0.000 1.412 935 W HN -0.069 nan 8.180 nan 0.000 0.567 936 A N 2.291 125.213 122.820 0.170 0.000 2.449 936 A HA 0.765 5.114 4.320 0.047 0.000 0.302 936 A C -1.630 175.958 177.584 0.007 0.000 1.048 936 A CA -0.940 51.056 52.037 -0.068 0.000 0.708 936 A CB 2.400 20.850 19.000 -0.918 0.000 1.274 936 A HN 0.586 nan 8.150 nan 0.000 0.410 937 K N 1.198 121.711 120.400 0.189 0.000 2.427 937 K HA 0.691 5.039 4.320 0.047 0.000 0.252 937 K C -2.222 174.487 176.600 0.182 0.000 0.931 937 K CA -0.630 55.773 56.287 0.193 0.000 0.793 937 K CB 1.823 34.527 32.500 0.339 0.000 1.211 937 K HN 0.585 nan 8.250 nan 0.000 0.426 938 L N 3.373 124.687 121.223 0.151 0.000 2.409 938 L HA 0.593 4.962 4.340 0.047 0.000 0.272 938 L C -1.154 175.836 176.870 0.200 0.000 0.980 938 L CA 0.202 55.139 54.840 0.162 0.000 0.826 938 L CB 1.815 43.942 42.059 0.113 0.000 1.268 938 L HN 0.892 nan 8.230 nan 0.000 0.407 939 T N 0.045 114.744 114.554 0.242 0.000 2.812 939 T HA 0.755 5.133 4.350 0.047 0.000 0.294 939 T C -0.771 174.083 174.700 0.257 0.000 1.159 939 T CA -0.689 61.586 62.100 0.292 0.000 1.008 939 T CB 1.632 70.618 68.868 0.197 0.000 1.289 939 T HN 0.567 nan 8.240 nan 0.000 0.514 940 D N -0.373 120.133 120.400 0.178 0.000 2.529 940 D HA 0.235 4.903 4.640 0.047 0.000 0.273 940 D C 1.538 177.852 176.300 0.023 0.000 1.197 940 D CA -0.628 53.369 54.000 -0.004 0.000 1.070 940 D CB 0.339 41.015 40.800 -0.206 0.000 1.134 940 D HN 0.745 nan 8.370 nan 0.000 0.590 941 Q N -0.602 119.192 119.800 -0.010 0.000 2.135 941 Q HA -0.123 4.246 4.340 0.047 0.000 0.204 941 Q C 1.768 177.777 176.000 0.015 0.000 0.981 941 Q CA 1.905 57.712 55.803 0.007 0.000 0.856 941 Q CB -0.634 28.100 28.738 -0.006 0.000 0.902 941 Q HN 0.467 nan 8.270 nan 0.000 0.425 942 A N 0.716 123.540 122.820 0.006 0.000 2.239 942 A HA 0.325 4.673 4.320 0.047 0.000 0.209 942 A C 1.723 179.328 177.584 0.036 0.000 1.171 942 A CA 0.703 52.749 52.037 0.015 0.000 0.768 942 A CB -0.820 18.184 19.000 0.007 0.000 0.790 942 A HN 0.813 nan 8.150 nan 0.000 0.478 943 G N -0.898 107.935 108.800 0.054 0.000 2.136 943 G HA2 -0.220 3.768 3.960 0.047 0.000 0.242 943 G HA3 -0.220 3.768 3.960 0.047 0.000 0.242 943 G C -0.220 174.739 174.900 0.097 0.000 0.989 943 G CA 0.302 45.446 45.100 0.073 0.000 0.682 943 G HN 0.637 nan 8.290 nan 0.000 0.522 944 E N -0.264 120.010 120.200 0.123 0.000 2.216 944 E HA 0.628 5.007 4.350 0.047 0.000 0.279 944 E C 0.754 177.530 176.600 0.292 0.000 0.997 944 E CA 0.140 56.643 56.400 0.171 0.000 0.817 944 E CB 1.677 31.476 29.700 0.165 0.000 1.096 944 E HN 0.765 nan 8.360 nan 0.000 0.393 945 G N 0.898 109.827 108.800 0.214 0.000 2.498 945 G HA2 0.292 4.281 3.960 0.047 0.000 0.181 945 G HA3 0.292 4.281 3.960 0.047 0.000 0.181 945 G C -1.679 173.259 174.900 0.063 0.000 1.169 945 G CA -0.211 44.976 45.100 0.144 0.000 0.992 945 G HN 0.488 nan 8.290 nan 0.000 0.490 946 V N 0.277 120.232 119.914 0.068 0.000 2.888 946 V HA 0.787 4.935 4.120 0.047 0.000 0.309 946 V C -1.253 174.959 176.094 0.197 0.000 1.114 946 V CA -0.839 61.529 62.300 0.114 0.000 0.940 946 V CB 1.594 33.445 31.823 0.047 0.000 1.021 946 V HN 1.066 nan 8.190 nan 0.000 0.426 950 S N -0.847 115.010 115.700 0.263 0.000 2.998 950 S HA 0.402 4.901 4.470 0.047 0.000 0.307 950 S C -0.387 174.295 174.600 0.138 0.000 1.063 950 S CA 0.082 58.278 58.200 -0.006 0.000 0.895 950 S CB 0.787 63.854 63.200 -0.223 0.000 1.362 950 S HN 0.687 nan 8.310 nan 0.000 0.657 951 N N 0.562 119.300 118.700 0.063 0.000 2.203 951 N HA 0.223 4.991 4.740 0.047 0.000 0.207 951 N C -0.085 175.497 175.510 0.120 0.000 1.130 951 N CA -0.369 52.742 53.050 0.103 0.000 0.861 951 N CB -0.120 38.401 38.487 0.056 0.000 1.005 951 N HN 0.651 nan 8.380 nan 0.000 0.507 952 R N -2.255 118.338 120.500 0.156 0.000 2.712 952 R HA 0.505 4.873 4.340 0.047 0.000 0.272 952 R C -3.364 173.080 176.300 0.240 0.000 1.032 952 R CA -1.464 54.731 56.100 0.158 0.000 0.874 952 R CB -0.068 30.299 30.300 0.112 0.000 1.256 952 R HN -0.238 nan 8.270 nan 0.000 0.468 953 P HA 0.047 nan 4.420 nan 0.000 0.265 953 P C -1.133 176.287 177.300 0.199 0.000 1.187 953 P CA 0.197 63.361 63.100 0.106 0.000 0.766 953 P CB 0.132 31.852 31.700 0.034 0.000 0.820 954 F N -0.287 119.740 119.950 0.128 0.000 2.849 954 F HA 0.678 5.235 4.527 0.050 0.000 0.341 954 F C -0.768 175.115 175.800 0.138 0.000 1.185 954 F CA -1.186 56.913 58.000 0.164 0.000 1.007 954 F CB 1.016 40.210 39.000 0.324 0.000 1.454 954 F HN 0.154 nan 8.300 nan 0.000 0.518 955 Q N 0.610 120.651 119.800 0.402 0.000 2.387 955 Q HA 0.655 5.023 4.340 0.047 0.000 0.273 955 Q C -1.706 174.531 176.000 0.396 0.000 1.089 955 Q CA -0.900 54.999 55.803 0.159 0.000 0.824 955 Q CB 3.243 31.994 28.738 0.022 0.000 1.367 955 Q HN 0.690 nan 8.270 nan 0.000 0.443 956 F N -1.379 118.572 119.950 0.000 0.000 2.668 956 F HA 0.800 5.354 4.527 0.045 0.000 0.309 956 F C -1.398 174.338 175.800 -0.107 0.000 1.117 956 F CA -0.772 57.239 58.000 0.018 0.000 0.951 956 F CB 1.577 40.656 39.000 0.131 0.000 1.323 956 F HN 0.513 nan 8.300 nan 0.000 0.451 957 S N 1.999 117.646 115.700 -0.090 0.000 2.541 957 S HA 0.858 5.356 4.470 0.047 0.000 0.271 957 S C -1.543 173.092 174.600 0.059 0.000 1.133 957 S CA -0.745 57.332 58.200 -0.206 0.000 0.876 957 S CB 1.715 64.825 63.200 -0.149 0.000 1.105 957 S HN 0.861 nan 8.310 nan 0.000 0.470 958 I N 2.850 123.441 120.570 0.035 0.000 2.512 958 I HA 0.522 4.720 4.170 0.047 0.000 0.287 958 I C -0.773 175.388 176.117 0.074 0.000 1.069 958 I CA -0.826 60.520 61.300 0.076 0.000 1.056 958 I CB 1.760 39.838 38.000 0.131 0.000 1.229 958 I HN 0.874 nan 8.210 nan 0.000 0.429 959 I N 4.013 124.628 120.570 0.076 0.000 2.892 959 I HA 0.612 4.810 4.170 0.047 0.000 0.306 959 I C -2.369 173.688 176.117 -0.099 0.000 1.078 959 I CA -2.149 59.212 61.300 0.101 0.000 1.032 959 I CB 2.761 40.947 38.000 0.309 0.000 1.229 959 I HN 0.225 nan 8.210 nan 0.000 0.435 960 P HA 0.207 nan 4.420 nan 0.000 0.257 960 P C -0.556 176.245 177.300 -0.831 0.000 1.281 960 P CA 0.504 63.216 63.100 -0.646 0.000 0.826 960 P CB -0.133 31.062 31.700 -0.842 0.000 1.237 961 F N 0.087 119.975 119.950 -0.103 0.000 2.631 961 F HA 0.409 4.963 4.527 0.046 0.000 0.328 961 F C 1.160 176.962 175.800 0.003 0.000 1.067 961 F CA -1.084 56.875 58.000 -0.069 0.000 0.969 961 F CB 0.757 39.691 39.000 -0.111 0.000 1.332 961 F HN -0.297 nan 8.300 nan 0.000 0.490 962 S N -0.579 115.257 115.700 0.226 0.000 2.617 962 S HA 0.216 4.715 4.470 0.047 0.000 0.269 962 S C 0.257 174.968 174.600 0.185 0.000 1.292 962 S CA -0.548 57.744 58.200 0.153 0.000 1.010 962 S CB 1.155 64.422 63.200 0.111 0.000 0.944 962 S HN 0.572 nan 8.310 nan 0.000 0.536 963 D N 1.012 121.520 120.400 0.180 0.000 2.178 963 D HA -0.065 4.603 4.640 0.047 0.000 0.201 963 D C 1.905 178.327 176.300 0.203 0.000 0.980 963 D CA 0.840 54.971 54.000 0.218 0.000 0.842 963 D CB -0.414 40.542 40.800 0.260 0.000 0.948 963 D HN 0.382 nan 8.370 nan 0.000 0.472 964 V N 0.643 120.650 119.914 0.155 0.000 2.261 964 V HA -0.221 3.928 4.120 0.047 0.000 0.246 964 V C 2.571 178.731 176.094 0.110 0.000 1.047 964 V CA 1.240 63.613 62.300 0.123 0.000 1.015 964 V CB -0.533 31.337 31.823 0.079 0.000 0.642 964 V HN 0.226 nan 8.190 nan 0.000 0.446 965 L N -0.803 120.477 121.223 0.095 0.000 2.056 965 L HA -0.163 4.205 4.340 0.047 0.000 0.207 965 L C 2.495 179.398 176.870 0.055 0.000 1.078 965 L CA 1.154 56.029 54.840 0.059 0.000 0.749 965 L CB -0.657 41.428 42.059 0.044 0.000 0.901 965 L HN 0.330 nan 8.230 nan 0.000 0.433 966 L N 0.559 121.839 121.223 0.094 0.000 2.042 966 L HA -0.239 4.129 4.340 0.047 0.000 0.210 966 L C 2.495 179.444 176.870 0.132 0.000 1.076 966 L CA 1.983 56.886 54.840 0.105 0.000 0.749 966 L CB -0.537 41.640 42.059 0.197 0.000 0.893 966 L HN 0.261 nan 8.230 nan 0.000 0.432 967 E N 0.008 120.309 120.200 0.169 0.000 2.031 967 E HA -0.270 4.109 4.350 0.047 0.000 0.193 967 E C 2.315 179.034 176.600 0.198 0.000 0.994 967 E CA 1.896 58.421 56.400 0.208 0.000 0.800 967 E CB -0.390 29.493 29.700 0.304 0.000 0.752 967 E HN 0.467 nan 8.360 nan 0.000 0.447 968 K N 0.134 120.621 120.400 0.145 0.000 2.097 968 K HA -0.012 4.336 4.320 0.047 0.000 0.206 968 K C 0.262 176.911 176.600 0.082 0.000 1.049 968 K CA 0.837 57.179 56.287 0.092 0.000 0.933 968 K CB -0.349 32.167 32.500 0.026 0.000 0.717 968 K HN 0.199 nan 8.250 nan 0.000 0.442 969 A N 1.413 124.293 122.820 0.101 0.000 2.520 969 A HA 0.005 4.353 4.320 0.047 0.000 0.245 969 A C -0.242 177.543 177.584 0.335 0.000 1.072 969 A CA 0.010 52.114 52.037 0.112 0.000 0.761 969 A CB 0.027 19.042 19.000 0.025 0.000 1.004 969 A HN 0.443 nan 8.150 nan 0.000 0.499 970 H N 0.508 119.622 119.070 0.074 0.000 2.885 970 H HA 0.216 4.799 4.556 0.046 0.000 0.260 970 H C -0.322 175.009 175.328 0.005 0.000 0.985 970 H CA 0.438 56.529 56.048 0.072 0.000 1.210 970 H CB 0.191 30.032 29.762 0.132 0.000 1.466 970 H HN 0.834 nan 8.280 nan 0.000 0.493 971 H N -1.029 118.154 119.070 0.188 0.000 2.690 971 H HA 0.268 4.852 4.556 0.047 0.000 0.368 971 H C 0.990 176.319 175.328 0.002 0.000 1.150 971 H CA -0.543 55.566 56.048 0.102 0.000 1.174 971 H CB 1.919 31.631 29.762 -0.083 0.000 1.684 971 H HN -0.124 nan 8.280 nan 0.000 0.538 972 I N 0.976 121.622 120.570 0.127 0.000 2.194 972 I HA -0.327 3.871 4.170 0.047 0.000 0.246 972 I C 1.913 177.899 176.117 -0.218 0.000 1.093 972 I CA 1.428 62.689 61.300 -0.065 0.000 1.355 972 I CB -0.169 37.666 38.000 -0.276 0.000 1.046 972 I HN 0.695 nan 8.210 nan 0.000 0.413 973 N N 0.994 119.558 118.700 -0.227 0.000 2.573 973 N HA -0.203 4.565 4.740 0.047 0.000 0.187 973 N C 1.240 176.615 175.510 -0.224 0.000 1.107 973 N CA 1.051 53.938 53.050 -0.273 0.000 0.918 973 N CB -0.457 37.843 38.487 -0.312 0.000 0.966 973 N HN 0.514 nan 8.380 nan 0.000 0.448 974 E N 0.115 120.207 120.200 -0.180 0.000 2.371 974 E HA 0.144 4.523 4.350 0.047 0.000 0.194 974 E C 0.121 176.621 176.600 -0.168 0.000 1.012 974 E CA -0.159 56.153 56.400 -0.147 0.000 0.860 974 E CB 0.199 29.845 29.700 -0.090 0.000 0.811 974 E HN 0.369 nan 8.360 nan 0.000 0.502 975 L N 2.056 123.129 121.223 -0.251 0.000 2.455 975 L HA 0.099 4.468 4.340 0.047 0.000 0.272 975 L C 0.062 176.794 176.870 -0.230 0.000 1.174 975 L CA 0.168 54.735 54.840 -0.454 0.000 0.869 975 L CB 0.254 41.792 42.059 -0.868 0.000 1.130 975 L HN -0.020 nan 8.230 nan 0.000 0.474 976 E N 3.461 123.615 120.200 -0.078 0.000 2.278 976 E HA 0.347 4.725 4.350 0.047 0.000 0.272 976 E C -1.103 175.657 176.600 0.266 0.000 0.890 976 E CA -0.676 55.786 56.400 0.103 0.000 0.770 976 E CB 1.276 30.990 29.700 0.023 0.000 1.212 976 E HN 0.336 nan 8.360 nan 0.000 0.415 977 R N 2.228 122.869 120.500 0.234 0.000 2.490 977 R HA 0.258 4.626 4.340 0.047 0.000 0.280 977 R C -0.179 176.156 176.300 0.058 0.000 1.077 977 R CA 0.005 56.171 56.100 0.111 0.000 1.065 977 R CB 0.547 30.830 30.300 -0.028 0.000 1.003 977 R HN 0.574 nan 8.270 nan 0.000 0.470 978 D N 0.763 121.185 120.400 0.037 0.000 2.501 978 D HA 0.178 4.847 4.640 0.047 0.000 0.224 978 D C 0.623 176.929 176.300 0.010 0.000 1.202 978 D CA -0.128 53.888 54.000 0.027 0.000 0.829 978 D CB 0.591 41.414 40.800 0.038 0.000 1.023 978 D HN 0.724 nan 8.370 nan 0.000 0.499 982 T N 5.430 119.938 114.554 -0.078 0.000 2.770 982 T HA 0.645 5.023 4.350 0.047 0.000 0.283 982 T C -0.255 174.329 174.700 -0.195 0.000 0.988 982 T CA -0.372 61.653 62.100 -0.125 0.000 0.957 982 T CB 0.978 69.836 68.868 -0.017 0.000 0.930 982 T HN 0.328 nan 8.240 nan 0.000 0.443 983 I N 3.354 123.648 120.570 -0.461 0.000 2.392 983 I HA 0.413 4.611 4.170 0.047 0.000 0.295 983 I C -0.035 175.733 176.117 -0.581 0.000 0.985 983 I CA -0.738 60.233 61.300 -0.548 0.000 1.221 983 I CB 1.147 38.481 38.000 -1.111 0.000 1.366 983 I HN 0.692 nan 8.210 nan 0.000 0.467 984 H N 5.379 124.331 119.070 -0.197 0.000 2.744 984 H HA 0.571 5.154 4.556 0.045 0.000 0.339 984 H C -0.930 174.338 175.328 -0.100 0.000 1.004 984 H CA -0.392 55.576 56.048 -0.133 0.000 1.257 984 H CB 1.980 31.693 29.762 -0.082 0.000 1.552 984 H HN 0.395 nan 8.280 nan 0.000 0.522 985 L N 4.135 125.277 121.223 -0.135 0.000 2.294 985 L HA 0.364 4.732 4.340 0.047 0.000 0.283 985 L C -0.705 176.007 176.870 -0.263 0.000 1.015 985 L CA -0.640 53.933 54.840 -0.444 0.000 0.831 985 L CB 1.060 42.346 42.059 -1.289 0.000 1.217 985 L HN 0.591 nan 8.230 nan 0.000 0.420 986 D N 2.331 122.787 120.400 0.094 0.000 2.308 986 D HA 0.338 5.006 4.640 0.047 0.000 0.242 986 D C 0.555 177.037 176.300 0.304 0.000 1.059 986 D CA -0.303 53.785 54.000 0.147 0.000 0.830 986 D CB 2.519 43.359 40.800 0.067 0.000 1.161 986 D HN 0.532 nan 8.370 nan 0.000 0.494 987 A N 2.623 125.474 122.820 0.053 0.000 1.975 987 A HA 0.003 4.351 4.320 0.047 0.000 0.215 987 A C 0.679 178.261 177.584 -0.004 0.000 1.170 987 A CA 0.944 52.960 52.037 -0.035 0.000 0.656 987 A CB 0.298 19.035 19.000 -0.439 0.000 0.821 987 A HN 0.418 nan 8.150 nan 0.000 0.449 988 E N -1.162 119.005 120.200 -0.055 0.000 2.383 988 E HA 0.539 4.917 4.350 0.047 0.000 0.275 988 E C -1.296 175.287 176.600 -0.028 0.000 0.918 988 E CA -0.449 55.941 56.400 -0.015 0.000 0.764 988 E CB 1.584 31.270 29.700 -0.024 0.000 1.252 988 E HN 0.360 nan 8.360 nan 0.000 0.449 989 Q N 0.569 120.369 119.800 0.000 0.000 2.378 989 Q HA 0.552 4.921 4.340 0.047 0.000 0.262 989 Q C -1.558 174.462 176.000 0.033 0.000 0.978 989 Q CA -0.479 55.312 55.803 -0.021 0.000 0.918 989 Q CB 2.061 30.790 28.738 -0.016 0.000 1.415 989 Q HN 0.693 nan 8.270 nan 0.000 0.409 990 A N 1.906 124.738 122.820 0.019 0.000 2.406 990 A HA 0.643 4.991 4.320 0.047 0.000 0.243 990 A C 0.590 178.217 177.584 0.072 0.000 1.082 990 A CA 0.613 52.698 52.037 0.080 0.000 0.786 990 A CB 0.183 19.255 19.000 0.119 0.000 1.029 990 A HN 0.800 nan 8.150 nan 0.000 0.495 991 G N -1.553 107.291 108.800 0.074 0.000 2.570 991 G HA2 0.402 4.391 3.960 0.047 0.000 0.276 991 G HA3 0.402 4.391 3.960 0.047 0.000 0.276 991 G C 0.847 175.677 174.900 -0.117 0.000 1.346 991 G CA 0.349 45.433 45.100 -0.028 0.000 1.034 991 G HN 1.634 nan 8.290 nan 0.000 0.512 992 V N -3.000 116.789 119.914 -0.209 0.000 3.635 992 V HA 0.521 4.669 4.120 0.047 0.000 0.266 992 V C 1.624 177.624 176.094 -0.156 0.000 1.316 992 V CA 1.011 63.153 62.300 -0.263 0.000 1.060 992 V CB -0.980 30.570 31.823 -0.456 0.000 0.820 992 V HN 1.958 nan 8.190 nan 0.000 0.447 993 G N 2.076 110.815 108.800 -0.101 0.000 2.578 993 G HA2 -0.268 3.721 3.960 0.047 0.000 0.284 993 G HA3 -0.268 3.721 3.960 0.047 0.000 0.284 993 G C 0.457 175.334 174.900 -0.038 0.000 1.283 993 G CA 1.478 46.553 45.100 -0.041 0.000 0.944 993 G HN 1.778 nan 8.290 nan 0.000 0.558 994 T N -4.418 110.136 114.554 -0.001 0.000 3.794 994 T HA 0.689 5.068 4.350 0.047 0.000 0.300 994 T C 1.353 176.053 174.700 -0.001 0.000 0.961 994 T CA 0.986 63.097 62.100 0.019 0.000 1.025 994 T CB 0.477 69.403 68.868 0.096 0.000 1.175 994 T HN 2.017 nan 8.240 nan 0.000 0.474 995 A N 1.843 124.637 122.820 -0.043 0.000 2.125 995 A HA -0.001 4.348 4.320 0.047 0.000 0.219 995 A C 2.461 179.996 177.584 -0.083 0.000 1.156 995 A CA 1.851 53.849 52.037 -0.066 0.000 0.671 995 A CB -1.260 17.690 19.000 -0.083 0.000 0.794 995 A HN 0.803 nan 8.150 nan 0.000 0.459 996 T N -4.068 110.443 114.554 -0.072 0.000 2.849 996 T HA -0.097 4.282 4.350 0.047 0.000 0.270 996 T C 0.710 175.304 174.700 -0.176 0.000 1.066 996 T CA 1.079 63.152 62.100 -0.045 0.000 1.130 996 T CB -0.795 68.055 68.868 -0.030 0.000 0.864 996 T HN 0.807 nan 8.240 nan 0.000 0.481 997 C N 0.755 119.827 119.300 -0.380 0.000 3.080 997 C HA 0.612 5.100 4.460 0.047 0.000 0.388 997 C C 0.420 175.117 174.990 -0.488 0.000 1.079 997 C CA 0.305 58.951 59.018 -0.620 0.000 1.289 997 C CB 0.154 27.157 27.740 -1.229 0.000 1.702 997 C HN 1.242 nan 8.230 nan 0.000 0.516 998 G N 6.275 114.924 108.800 -0.251 0.000 2.352 998 G HA2 0.075 4.063 3.960 0.047 0.000 0.324 998 G HA3 0.075 4.063 3.960 0.047 0.000 0.324 998 G C -3.192 171.727 174.900 0.032 0.000 1.249 998 G CA -0.704 44.384 45.100 -0.020 0.000 1.053 998 G HN 0.575 nan 8.290 nan 0.000 0.492 999 P HA 0.413 nan 4.420 nan 0.000 0.265 999 P C 0.811 178.137 177.300 0.043 0.000 1.193 999 P CA 1.030 64.176 63.100 0.076 0.000 0.765 999 P CB 0.716 32.482 31.700 0.110 0.000 0.823 1000 G N 1.853 110.661 108.800 0.014 0.000 2.525 1000 G HA2 0.319 4.307 3.960 0.047 0.000 0.287 1000 G HA3 0.319 4.307 3.960 0.047 0.000 0.287 1000 G C -0.484 174.429 174.900 0.021 0.000 1.350 1000 G CA -0.613 44.485 45.100 -0.004 0.000 1.039 1000 G HN 0.367 nan 8.290 nan 0.000 0.513 1001 V N 0.554 120.481 119.914 0.023 0.000 2.599 1001 V HA 0.030 4.178 4.120 0.047 0.000 0.300 1001 V C 0.892 177.050 176.094 0.106 0.000 1.034 1001 V CA 0.089 62.432 62.300 0.071 0.000 1.115 1001 V CB 0.458 32.332 31.823 0.084 0.000 0.934 1001 V HN 0.388 nan 8.190 nan 0.000 0.485 1002 L N 7.240 128.572 121.223 0.182 0.000 2.467 1002 L HA 0.126 4.494 4.340 0.047 0.000 0.270 1002 L C -1.072 175.841 176.870 0.071 0.000 1.205 1002 L CA -1.145 53.776 54.840 0.134 0.000 0.828 1002 L CB 0.140 42.313 42.059 0.191 0.000 1.101 1002 L HN 0.465 nan 8.230 nan 0.000 0.479 1003 P HA -0.253 nan 4.420 nan 0.000 0.215 1003 P C 1.144 178.387 177.300 -0.095 0.000 1.163 1003 P CA 1.185 64.263 63.100 -0.036 0.000 0.894 1003 P CB -0.043 31.628 31.700 -0.050 0.000 0.791 1004 Q N -1.473 118.180 119.800 -0.246 0.000 2.561 1004 Q HA -0.171 4.197 4.340 0.047 0.000 0.217 1004 Q C 0.454 176.174 176.000 -0.467 0.000 0.980 1004 Q CA 1.580 57.142 55.803 -0.400 0.000 0.927 1004 Q CB -0.910 27.481 28.738 -0.579 0.000 0.980 1004 Q HN 0.392 nan 8.270 nan 0.000 0.525 1005 Y N 0.060 120.373 120.300 0.021 0.000 2.557 1005 Y HA 0.404 4.982 4.550 0.046 0.000 0.247 1005 Y C 0.568 176.491 175.900 0.038 0.000 1.164 1005 Y CA -0.725 57.392 58.100 0.028 0.000 1.218 1005 Y CB 0.632 39.108 38.460 0.026 0.000 1.210 1005 Y HN -0.072 nan 8.280 nan 0.000 0.529 1006 L N 0.421 121.726 121.223 0.136 0.000 2.375 1006 L HA 0.327 4.695 4.340 0.047 0.000 0.271 1006 L C 0.066 176.995 176.870 0.099 0.000 1.107 1006 L CA -0.988 53.927 54.840 0.124 0.000 0.806 1006 L CB 1.034 43.153 42.059 0.101 0.000 1.146 1006 L HN -0.251 nan 8.230 nan 0.000 0.447 1007 V N 3.042 123.015 119.914 0.099 0.000 2.521 1007 V HA 0.093 4.241 4.120 0.047 0.000 0.286 1007 V C -1.909 174.231 176.094 0.076 0.000 1.034 1007 V CA -1.167 61.174 62.300 0.069 0.000 1.045 1007 V CB 0.393 32.237 31.823 0.035 0.000 0.974 1007 V HN 0.632 nan 8.190 nan 0.000 0.480 1008 P HA 0.108 nan 4.420 nan 0.000 0.267 1008 P C -0.305 177.044 177.300 0.080 0.000 1.205 1008 P CA -0.095 63.043 63.100 0.063 0.000 0.765 1008 P CB 0.491 32.222 31.700 0.051 0.000 0.828 1009 V N 5.121 125.082 119.914 0.078 0.000 2.096 1009 V HA 0.134 4.282 4.120 0.047 0.000 0.259 1009 V C 0.708 176.831 176.094 0.049 0.000 1.420 1009 V CA 0.370 62.722 62.300 0.087 0.000 1.336 1009 V CB -1.685 30.191 31.823 0.089 0.000 1.394 1009 V HN 0.631 nan 8.190 nan 0.000 0.494 1010 K N 1.392 121.819 120.400 0.045 0.000 2.466 1010 K HA 0.578 4.926 4.320 0.047 0.000 0.277 1010 K C -0.689 175.904 176.600 -0.011 0.000 1.039 1010 K CA -1.243 55.047 56.287 0.004 0.000 0.904 1010 K CB 1.886 34.395 32.500 0.014 0.000 1.506 1010 K HN 0.035 nan 8.250 nan 0.000 0.441 1011 K N 1.132 121.507 120.400 -0.040 0.000 2.401 1011 K HA 0.036 4.384 4.320 0.047 0.000 0.278 1011 K C -0.972 175.646 176.600 0.029 0.000 1.018 1011 K CA 0.341 56.599 56.287 -0.048 0.000 0.981 1011 K CB 0.663 33.126 32.500 -0.062 0.000 0.933 1011 K HN 0.557 nan 8.250 nan 0.000 0.477 1012 Q N 1.713 121.565 119.800 0.087 0.000 2.426 1012 Q HA 0.283 4.651 4.340 0.047 0.000 0.278 1012 Q C -1.692 174.425 176.000 0.195 0.000 1.007 1012 Q CA -0.715 55.175 55.803 0.146 0.000 0.850 1012 Q CB 2.356 31.210 28.738 0.194 0.000 1.427 1012 Q HN 0.673 nan 8.270 nan 0.000 0.391 1013 S N 1.824 117.619 115.700 0.160 0.000 2.566 1013 S HA 0.912 5.410 4.470 0.047 0.000 0.298 1013 S C -1.346 173.374 174.600 0.200 0.000 1.083 1013 S CA -0.517 57.733 58.200 0.084 0.000 0.978 1013 S CB 0.915 64.104 63.200 -0.020 0.000 1.073 1013 S HN 0.482 nan 8.310 nan 0.000 0.491 1014 F N -0.403 119.533 119.950 -0.024 0.000 2.719 1014 F HA 0.762 5.316 4.527 0.046 0.000 0.309 1014 F C -1.160 174.559 175.800 -0.135 0.000 1.138 1014 F CA -1.060 56.884 58.000 -0.092 0.000 0.943 1014 F CB 1.061 40.013 39.000 -0.080 0.000 1.304 1014 F HN 0.612 nan 8.300 nan 0.000 0.445 1015 E N 1.105 121.216 120.200 -0.149 0.000 2.367 1015 E HA 0.750 5.128 4.350 0.047 0.000 0.273 1015 E C -2.350 174.001 176.600 -0.415 0.000 0.903 1015 E CA -0.831 55.442 56.400 -0.212 0.000 0.764 1015 E CB 3.004 32.625 29.700 -0.132 0.000 1.252 1015 E HN 0.535 nan 8.360 nan 0.000 0.446 1016 F N 0.434 120.411 119.950 0.046 0.000 2.569 1016 F HA 0.417 4.969 4.527 0.042 0.000 0.312 1016 F C -0.579 175.216 175.800 -0.008 0.000 1.109 1016 F CA -0.488 57.512 58.000 -0.001 0.000 0.919 1016 F CB 2.926 41.922 39.000 -0.008 0.000 1.211 1016 F HN 0.393 nan 8.300 nan 0.000 0.446 1017 T N 4.701 119.382 114.554 0.210 0.000 2.792 1017 T HA 0.644 5.022 4.350 0.047 0.000 0.280 1017 T C -0.612 174.156 174.700 0.114 0.000 0.990 1017 T CA -0.575 61.574 62.100 0.082 0.000 0.960 1017 T CB 0.857 69.749 68.868 0.040 0.000 0.939 1017 T HN 0.303 nan 8.240 nan 0.000 0.439 1018 L N 3.770 124.979 121.223 -0.024 0.000 2.287 1018 L HA 0.509 4.878 4.340 0.047 0.000 0.287 1018 L C -1.036 175.833 176.870 -0.003 0.000 1.022 1018 L CA -1.004 53.865 54.840 0.047 0.000 0.814 1018 L CB 0.687 42.714 42.059 -0.053 0.000 1.217 1018 L HN 0.673 nan 8.230 nan 0.000 0.420 1019 Y N 3.386 123.770 120.300 0.141 0.000 2.369 1019 Y HA 0.349 4.928 4.550 0.049 0.000 0.337 1019 Y C -2.154 173.786 175.900 0.067 0.000 0.961 1019 Y CA -2.536 55.620 58.100 0.092 0.000 1.186 1019 Y CB 1.250 39.759 38.460 0.081 0.000 1.139 1019 Y HN 0.402 nan 8.280 nan 0.000 0.494 1020 P HA 0.040 nan 4.420 nan 0.000 0.271 1020 P C -0.838 176.517 177.300 0.092 0.000 1.216 1020 P CA -0.093 63.060 63.100 0.090 0.000 0.771 1020 P CB 0.791 32.516 31.700 0.042 0.000 0.864 1021 V N 0.597 120.562 119.914 0.085 0.000 2.864 1021 V HA 0.768 4.916 4.120 0.047 0.000 0.314 1021 V C -0.367 175.762 176.094 0.058 0.000 1.073 1021 V CA -0.761 61.573 62.300 0.057 0.000 0.956 1021 V CB 2.206 34.066 31.823 0.061 0.000 1.023 1021 V HN 0.453 nan 8.190 nan 0.000 0.435 1022 K N 0.000 120.421 120.400 0.035 0.000 2.780 1022 K HA 0.000 4.348 4.320 0.047 0.000 0.191 1022 K CA 0.000 56.310 56.287 0.038 0.000 0.838 1022 K CB 0.000 32.519 32.500 0.032 0.000 1.064 1022 K HN 0.000 nan 8.250 nan 0.000 0.543