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 2rhb_1_F DATA FIRST_RESID 1 DATA SEQUENCE SLENVAYNVV NKGHFDGHAG EAPVSIINNA VYTKVDGIDV EIFENKTTLP DATA SEQUENCE VNVAFELWAK RNIKPVPEIK ILNNLGVDIA ANTVIWDYKR EAPAHVSTIG DATA SEQUENCE VCTMTDIAKK PTESACSSLT VLFDGRVEGQ VDLFRNARNG VLITEGSVKG DATA SEQUENCE LTPSKGPAQA SVNGVTLIGE SVKTQFNYFK KVDGIIQQLP ETYFTQSRDL DATA SEQUENCE EDFKPRSQME TDFLELAMDE FIQRYKLEGY AFEAIVYGDF SHGQLGGLHL DATA SEQUENCE MIGLAKRSQD SPLKLEDFIP MDSTVKNYFI TDAQTGSSKC VCSVIDLLLD DATA SEQUENCE DFVEIIKSQD LSVISKVVKV TIDYAEISFM LWCKDGHVET FYPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.628 174.600 0.046 0.000 1.055 1 S CA 0.000 58.215 58.200 0.025 0.000 1.107 1 S CB 0.000 63.223 63.200 0.038 0.000 0.593 2 L N 0.940 122.209 121.223 0.075 0.000 1.976 2 L HA -0.036 4.304 4.340 -0.000 0.000 0.209 2 L C 2.332 179.312 176.870 0.183 0.000 1.071 2 L CA 2.224 57.146 54.840 0.137 0.000 0.746 2 L CB -0.727 41.405 42.059 0.122 0.000 0.890 2 L HN 0.986 nan 8.230 nan 0.000 0.432 3 E N 0.051 120.335 120.200 0.140 0.000 2.209 3 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 3 E C 1.715 178.431 176.600 0.193 0.000 0.993 3 E CA 1.461 57.954 56.400 0.155 0.000 0.819 3 E CB -0.197 29.568 29.700 0.108 0.000 0.745 3 E HN 0.493 nan 8.360 nan 0.000 0.477 4 N N -0.452 118.348 118.700 0.166 0.000 2.135 4 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 4 N C 1.533 177.215 175.510 0.287 0.000 1.027 4 N CA 1.137 54.302 53.050 0.193 0.000 0.849 4 N CB -0.093 38.484 38.487 0.150 0.000 1.002 4 N HN -0.017 nan 8.380 nan 0.000 0.425 5 V N 0.934 120.980 119.914 0.220 0.000 2.282 5 V HA -0.282 3.838 4.120 -0.000 0.000 0.249 5 V C 2.407 178.623 176.094 0.204 0.000 1.057 5 V CA 2.058 64.437 62.300 0.133 0.000 1.032 5 V CB -1.276 30.465 31.823 -0.137 0.000 0.645 5 V HN 0.521 nan 8.190 nan 0.000 0.447 6 A N -1.200 121.855 122.820 0.393 0.000 1.902 6 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 6 A C 2.141 179.894 177.584 0.282 0.000 1.181 6 A CA 2.033 54.342 52.037 0.454 0.000 0.623 6 A CB -0.772 18.463 19.000 0.391 0.000 0.818 6 A HN 0.656 nan 8.150 nan 0.000 0.443 7 Y N 1.544 121.930 120.300 0.143 0.000 2.097 7 Y HA -0.265 4.284 4.550 -0.000 0.000 0.282 7 Y C 2.324 178.244 175.900 0.032 0.000 1.152 7 Y CA 2.209 60.356 58.100 0.079 0.000 1.136 7 Y CB -0.398 38.101 38.460 0.065 0.000 0.975 7 Y HN 0.376 nan 8.280 nan 0.000 0.498 8 N N -0.284 118.580 118.700 0.274 0.000 2.104 8 N HA -0.202 4.537 4.740 -0.000 0.000 0.190 8 N C 1.898 177.369 175.510 -0.064 0.000 1.024 8 N CA 1.862 54.951 53.050 0.065 0.000 0.853 8 N CB -0.371 38.148 38.487 0.053 0.000 1.008 8 N HN 0.296 nan 8.380 nan 0.000 0.424 9 V N 1.633 121.549 119.914 0.003 0.000 2.343 9 V HA -0.169 3.950 4.120 -0.000 0.000 0.247 9 V C 2.552 178.656 176.094 0.016 0.000 1.051 9 V CA 1.552 63.853 62.300 0.001 0.000 1.036 9 V CB -0.466 31.438 31.823 0.134 0.000 0.654 9 V HN 0.260 nan 8.190 nan 0.000 0.451 10 V N -1.655 118.259 119.914 -0.000 0.000 2.719 10 V HA -0.025 4.094 4.120 -0.000 0.000 0.252 10 V C 1.780 177.790 176.094 -0.140 0.000 1.065 10 V CA 1.993 64.267 62.300 -0.043 0.000 1.086 10 V CB -0.678 31.120 31.823 -0.042 0.000 0.700 10 V HN 0.541 nan 8.190 nan 0.000 0.467 11 N N 0.206 118.752 118.700 -0.258 0.000 2.414 11 N HA 0.135 4.875 4.740 -0.000 0.000 0.177 11 N C 1.157 176.531 175.510 -0.227 0.000 1.062 11 N CA 0.523 53.385 53.050 -0.314 0.000 0.890 11 N CB 0.320 38.447 38.487 -0.601 0.000 1.070 11 N HN 0.461 nan 8.380 nan 0.000 0.454 12 K N -0.385 119.898 120.400 -0.195 0.000 2.483 12 K HA 0.270 4.590 4.320 -0.000 0.000 0.206 12 K C 0.726 177.290 176.600 -0.060 0.000 1.086 12 K CA 0.147 56.338 56.287 -0.160 0.000 1.052 12 K CB 1.723 34.073 32.500 -0.250 0.000 0.904 12 K HN 0.150 nan 8.250 nan 0.000 0.557 13 G N 2.356 111.130 108.800 -0.045 0.000 2.347 13 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.247 13 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.247 13 G C 0.161 175.049 174.900 -0.020 0.000 1.037 13 G CA 1.370 46.474 45.100 0.007 0.000 0.622 13 G HN 0.655 nan 8.290 nan 0.000 0.521 14 H N -2.895 116.046 119.070 -0.215 0.000 2.950 14 H HA 0.678 5.234 4.556 -0.000 0.000 0.272 14 H C -0.743 174.489 175.328 -0.159 0.000 1.495 14 H CA -0.941 54.918 56.048 -0.315 0.000 1.183 14 H CB 0.415 29.977 29.762 -0.333 0.000 1.867 14 H HN 0.464 nan 8.280 nan 0.000 0.597 15 F N 1.247 120.866 119.950 -0.551 0.000 2.427 15 F HA 0.272 4.799 4.527 -0.000 0.000 0.352 15 F C -0.031 175.448 175.800 -0.536 0.000 1.100 15 F CA 0.055 57.787 58.000 -0.446 0.000 1.191 15 F CB 1.115 39.944 39.000 -0.285 0.000 1.128 15 F HN 0.684 nan 8.300 nan 0.000 0.533 16 D N 2.282 122.021 120.400 -1.101 0.000 2.449 16 D HA 0.176 4.816 4.640 -0.000 0.000 0.255 16 D C 1.279 177.160 176.300 -0.700 0.000 1.121 16 D CA 0.998 54.588 54.000 -0.683 0.000 0.830 16 D CB 0.787 41.440 40.800 -0.245 0.000 1.280 16 D HN 0.793 nan 8.370 nan 0.000 0.522 17 G N 0.665 108.770 108.800 -1.159 0.000 2.141 17 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.242 17 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.242 17 G C 0.131 174.800 174.900 -0.386 0.000 0.982 17 G CA -0.204 44.509 45.100 -0.645 0.000 0.662 17 G HN 0.391 nan 8.290 nan 0.000 0.527 18 H N 0.719 119.586 119.070 -0.340 0.000 2.732 18 H HA 0.510 5.066 4.556 -0.000 0.000 0.351 18 H C 1.069 176.286 175.328 -0.185 0.000 1.090 18 H CA 0.591 56.532 56.048 -0.179 0.000 1.431 18 H CB 1.403 31.126 29.762 -0.065 0.000 1.447 18 H HN 0.560 nan 8.280 nan 0.000 0.582 19 A N 2.107 124.869 122.820 -0.097 0.000 2.327 19 A HA 0.521 4.841 4.320 -0.000 0.000 0.255 19 A C 0.699 177.986 177.584 -0.495 0.000 1.099 19 A CA 0.490 52.413 52.037 -0.192 0.000 0.801 19 A CB 0.082 18.998 19.000 -0.139 0.000 1.062 19 A HN 0.960 nan 8.150 nan 0.000 0.496 20 G N -0.434 108.066 108.800 -0.501 0.000 2.484 20 G HA2 0.364 4.324 3.960 -0.000 0.000 0.685 20 G HA3 0.364 4.324 3.960 -0.000 0.000 0.685 20 G C -1.246 173.372 174.900 -0.469 0.000 1.294 20 G CA -0.438 44.179 45.100 -0.806 0.000 0.879 20 G HN 0.904 nan 8.290 nan 0.000 0.646 21 E N -0.615 119.495 120.200 -0.150 0.000 2.275 21 E HA 0.722 5.072 4.350 -0.000 0.000 0.270 21 E C 0.161 176.903 176.600 0.236 0.000 0.882 21 E CA 0.090 56.542 56.400 0.087 0.000 0.758 21 E CB 2.008 31.737 29.700 0.048 0.000 1.195 21 E HN 1.283 nan 8.360 nan 0.000 0.419 22 A N 3.737 126.721 122.820 0.273 0.000 2.324 22 A HA 0.741 5.061 4.320 -0.000 0.000 0.330 22 A C -2.375 175.293 177.584 0.141 0.000 1.165 22 A CA -1.703 50.461 52.037 0.212 0.000 0.813 22 A CB 0.511 19.627 19.000 0.193 0.000 1.197 22 A HN 0.415 nan 8.150 nan 0.000 0.484 23 P HA 0.361 nan 4.420 nan 0.000 0.271 23 P C -0.690 176.654 177.300 0.073 0.000 1.216 23 P CA 0.047 63.193 63.100 0.078 0.000 0.776 23 P CB 1.218 32.955 31.700 0.062 0.000 0.881 24 V N 2.127 122.077 119.914 0.060 0.000 3.007 24 V HA 0.418 4.538 4.120 -0.000 0.000 0.311 24 V C -0.492 175.628 176.094 0.043 0.000 1.120 24 V CA -0.436 61.892 62.300 0.047 0.000 0.980 24 V CB 2.644 34.483 31.823 0.027 0.000 1.033 24 V HN 0.561 nan 8.190 nan 0.000 0.429 25 S N 3.966 119.702 115.700 0.060 0.000 2.707 25 S HA 0.653 5.123 4.470 -0.000 0.000 0.303 25 S C -0.813 173.841 174.600 0.091 0.000 1.132 25 S CA -0.314 57.919 58.200 0.055 0.000 1.046 25 S CB 1.310 64.525 63.200 0.025 0.000 1.004 25 S HN 0.466 nan 8.310 nan 0.000 0.483 26 I N 3.697 124.298 120.570 0.052 0.000 2.325 26 I HA 0.567 4.737 4.170 -0.000 0.000 0.291 26 I C -0.201 175.951 176.117 0.059 0.000 1.019 26 I CA -0.039 61.299 61.300 0.064 0.000 1.302 26 I CB 0.751 38.772 38.000 0.035 0.000 1.401 26 I HN 0.627 nan 8.210 nan 0.000 0.485 27 I N 5.828 126.460 120.570 0.102 0.000 2.828 27 I HA 0.292 4.462 4.170 -0.000 0.000 0.295 27 I C -0.917 175.262 176.117 0.102 0.000 1.459 27 I CA -0.430 60.902 61.300 0.054 0.000 1.015 27 I CB 1.540 39.514 38.000 -0.043 0.000 1.345 27 I HN 0.639 nan 8.210 nan 0.000 0.449 28 N N 4.582 123.311 118.700 0.049 0.000 2.727 28 N HA -0.231 4.509 4.740 -0.000 0.000 0.249 28 N C 0.071 175.599 175.510 0.030 0.000 1.048 28 N CA 1.347 54.423 53.050 0.043 0.000 0.714 28 N CB -1.365 37.158 38.487 0.061 0.000 0.959 28 N HN 0.802 nan 8.380 nan 0.000 0.544 29 N N -1.563 117.150 118.700 0.020 0.000 2.727 29 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 29 N C -0.606 174.870 175.510 -0.056 0.000 1.048 29 N CA 1.329 54.374 53.050 -0.008 0.000 0.714 29 N CB -1.005 37.465 38.487 -0.027 0.000 0.959 29 N HN 0.796 nan 8.380 nan 0.000 0.544 30 A N -1.393 121.419 122.820 -0.014 0.000 2.572 30 A HA 0.727 5.047 4.320 -0.000 0.000 0.295 30 A C -0.682 176.858 177.584 -0.073 0.000 1.072 30 A CA -0.482 51.487 52.037 -0.113 0.000 0.691 30 A CB 1.837 20.747 19.000 -0.149 0.000 1.291 30 A HN 0.137 nan 8.150 nan 0.000 0.404 31 V N 1.629 121.407 119.914 -0.226 0.000 2.370 31 V HA 0.457 4.577 4.120 -0.000 0.000 0.283 31 V C -1.158 174.732 176.094 -0.340 0.000 1.023 31 V CA -0.215 61.925 62.300 -0.266 0.000 0.857 31 V CB 0.496 31.944 31.823 -0.626 0.000 0.985 31 V HN 0.738 nan 8.190 nan 0.000 0.443 32 Y N 2.019 122.252 120.300 -0.112 0.000 2.409 32 Y HA 0.635 5.185 4.550 -0.000 0.000 0.339 32 Y C 0.578 176.451 175.900 -0.045 0.000 1.033 32 Y CA -0.397 57.667 58.100 -0.060 0.000 1.094 32 Y CB 2.337 40.772 38.460 -0.042 0.000 1.210 32 Y HN 0.561 nan 8.280 nan 0.000 0.456 33 T N 2.001 116.628 114.554 0.123 0.000 2.924 33 T HA 0.441 4.790 4.350 -0.000 0.000 0.291 33 T C -1.251 173.504 174.700 0.092 0.000 1.045 33 T CA -0.889 61.265 62.100 0.090 0.000 1.015 33 T CB 0.975 69.886 68.868 0.071 0.000 1.103 33 T HN 0.476 nan 8.240 nan 0.000 0.496 34 K N 2.513 122.954 120.400 0.069 0.000 2.234 34 K HA 0.661 4.981 4.320 -0.000 0.000 0.277 34 K C -1.552 175.074 176.600 0.044 0.000 1.038 34 K CA -0.438 55.881 56.287 0.054 0.000 0.888 34 K CB 0.749 33.274 32.500 0.043 0.000 1.091 34 K HN 0.351 nan 8.250 nan 0.000 0.467 35 V N 4.628 124.566 119.914 0.039 0.000 2.638 35 V HA 0.259 4.379 4.120 -0.000 0.000 0.306 35 V C 0.035 176.143 176.094 0.024 0.000 1.052 35 V CA -0.596 61.721 62.300 0.029 0.000 0.885 35 V CB 1.726 33.565 31.823 0.025 0.000 0.999 35 V HN 1.051 nan 8.190 nan 0.000 0.424 36 D N 3.245 123.657 120.400 0.020 0.000 3.046 36 D HA -0.200 4.440 4.640 -0.000 0.000 0.210 36 D C 1.161 177.470 176.300 0.015 0.000 1.124 36 D CA 2.051 56.060 54.000 0.016 0.000 0.986 36 D CB -0.722 40.087 40.800 0.015 0.000 1.118 36 D HN 1.648 nan 8.370 nan 0.000 0.416 37 G N -0.175 108.635 108.800 0.017 0.000 2.132 37 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.234 37 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.234 37 G C 0.215 175.122 174.900 0.012 0.000 0.989 37 G CA 0.657 45.765 45.100 0.014 0.000 0.676 37 G HN 0.829 nan 8.290 nan 0.000 0.522 38 I N -2.836 117.745 120.570 0.019 0.000 2.608 38 I HA 0.721 4.891 4.170 -0.000 0.000 0.295 38 I C -0.877 175.265 176.117 0.040 0.000 1.049 38 I CA -1.870 59.443 61.300 0.021 0.000 1.063 38 I CB 1.786 39.798 38.000 0.020 0.000 1.248 38 I HN -0.163 nan 8.210 nan 0.000 0.424 39 D N 4.400 124.826 120.400 0.043 0.000 2.312 39 D HA 0.316 4.956 4.640 -0.000 0.000 0.252 39 D C -0.616 175.793 176.300 0.182 0.000 1.150 39 D CA 0.077 54.137 54.000 0.100 0.000 0.870 39 D CB 2.132 42.942 40.800 0.016 0.000 1.153 39 D HN 0.479 nan 8.370 nan 0.000 0.457 40 V N 2.712 122.744 119.914 0.197 0.000 2.444 40 V HA 0.168 4.288 4.120 -0.000 0.000 0.294 40 V C -0.207 175.922 176.094 0.059 0.000 1.022 40 V CA -0.840 61.544 62.300 0.141 0.000 0.850 40 V CB 1.712 33.578 31.823 0.071 0.000 0.992 40 V HN 0.473 nan 8.190 nan 0.000 0.426 41 E N 4.804 124.948 120.200 -0.094 0.000 2.366 41 E HA 0.167 4.517 4.350 -0.000 0.000 0.266 41 E C 0.764 177.226 176.600 -0.229 0.000 1.015 41 E CA 0.336 56.441 56.400 -0.493 0.000 0.906 41 E CB 0.793 30.155 29.700 -0.563 0.000 0.979 41 E HN 0.824 nan 8.360 nan 0.000 0.443 42 I N 1.941 122.388 120.570 -0.204 0.000 4.240 42 I HA 0.403 4.573 4.170 -0.000 0.000 0.331 42 I C -0.496 175.666 176.117 0.075 0.000 1.381 42 I CA -0.428 60.879 61.300 0.012 0.000 1.136 42 I CB 0.597 38.678 38.000 0.135 0.000 1.137 42 I HN 0.255 nan 8.210 nan 0.000 0.411 43 F N 1.951 121.708 119.950 -0.321 0.000 2.639 43 F HA 0.479 5.006 4.527 -0.000 0.000 0.326 43 F C -1.263 174.328 175.800 -0.348 0.000 1.150 43 F CA -0.778 56.985 58.000 -0.394 0.000 1.057 43 F CB 1.509 40.382 39.000 -0.212 0.000 1.300 43 F HN 0.020 nan 8.300 nan 0.000 0.486 44 E N 4.659 124.298 120.200 -0.935 0.000 2.179 44 E HA 0.277 4.626 4.350 -0.000 0.000 0.275 44 E C -1.225 174.727 176.600 -1.079 0.000 0.945 44 E CA -0.743 55.198 56.400 -0.766 0.000 0.792 44 E CB 1.297 30.735 29.700 -0.437 0.000 1.125 44 E HN 0.748 nan 8.360 nan 0.000 0.397 45 N N 3.516 121.807 118.700 -0.682 0.000 2.426 45 N HA 0.095 4.835 4.740 -0.000 0.000 0.257 45 N C -0.012 175.363 175.510 -0.225 0.000 1.002 45 N CA -0.335 52.440 53.050 -0.458 0.000 0.942 45 N CB 0.391 38.779 38.487 -0.165 0.000 1.112 45 N HN 0.317 nan 8.380 nan 0.000 0.499 46 K N 1.384 121.688 120.400 -0.159 0.000 2.402 46 K HA 0.064 4.384 4.320 -0.000 0.000 0.204 46 K C 0.755 177.328 176.600 -0.045 0.000 1.056 46 K CA -0.016 56.218 56.287 -0.088 0.000 1.069 46 K CB 0.415 32.865 32.500 -0.083 0.000 0.888 46 K HN 0.612 nan 8.250 nan 0.000 0.546 47 T N -0.205 114.347 114.554 -0.004 0.000 2.816 47 T HA 0.097 4.447 4.350 -0.000 0.000 0.282 47 T C 1.283 175.992 174.700 0.014 0.000 0.993 47 T CA -0.040 62.065 62.100 0.008 0.000 0.994 47 T CB 1.162 70.078 68.868 0.080 0.000 1.025 47 T HN 0.151 nan 8.240 nan 0.000 0.529 48 T N -0.686 113.874 114.554 0.009 0.000 3.107 48 T HA 0.312 4.662 4.350 -0.000 0.000 0.249 48 T C 0.624 175.344 174.700 0.034 0.000 1.096 48 T CA -0.356 61.752 62.100 0.014 0.000 1.012 48 T CB -0.572 68.297 68.868 0.002 0.000 0.977 48 T HN 0.483 nan 8.240 nan 0.000 0.527 49 L N 1.779 123.037 121.223 0.058 0.000 2.399 49 L HA 0.441 4.780 4.340 -0.000 0.000 0.266 49 L C -2.141 174.784 176.870 0.091 0.000 1.114 49 L CA -2.765 52.121 54.840 0.076 0.000 0.804 49 L CB 0.116 42.236 42.059 0.101 0.000 1.146 49 L HN -0.122 nan 8.230 nan 0.000 0.451 50 P HA -0.131 nan 4.420 nan 0.000 0.261 50 P C 0.917 178.296 177.300 0.132 0.000 1.165 50 P CA 0.318 63.470 63.100 0.086 0.000 0.759 50 P CB 0.529 32.273 31.700 0.073 0.000 0.772 51 V N 3.749 123.741 119.914 0.130 0.000 2.313 51 V HA -0.334 3.786 4.120 -0.000 0.000 0.253 51 V C 2.000 178.252 176.094 0.262 0.000 1.070 51 V CA 2.752 65.165 62.300 0.190 0.000 1.057 51 V CB -0.798 31.096 31.823 0.118 0.000 0.653 51 V HN 0.694 nan 8.190 nan 0.000 0.450 52 N N -0.437 118.373 118.700 0.183 0.000 2.354 52 N HA -0.081 4.659 4.740 -0.000 0.000 0.179 52 N C 1.668 177.294 175.510 0.194 0.000 1.021 52 N CA 1.730 54.898 53.050 0.197 0.000 0.887 52 N CB -0.382 38.182 38.487 0.129 0.000 0.974 52 N HN 0.456 nan 8.380 nan 0.000 0.437 53 V N 1.798 121.802 119.914 0.151 0.000 2.307 53 V HA -0.096 4.024 4.120 -0.000 0.000 0.245 53 V C 2.903 179.087 176.094 0.150 0.000 1.045 53 V CA 1.777 64.146 62.300 0.115 0.000 1.024 53 V CB -1.138 30.741 31.823 0.094 0.000 0.651 53 V HN 0.451 nan 8.190 nan 0.000 0.449 54 A N -0.491 122.474 122.820 0.241 0.000 1.978 54 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 54 A C 2.105 179.796 177.584 0.179 0.000 1.170 54 A CA 2.091 54.346 52.037 0.363 0.000 0.636 54 A CB -0.693 18.629 19.000 0.537 0.000 0.810 54 A HN 0.517 nan 8.150 nan 0.000 0.448 55 F N 0.509 120.370 119.950 -0.147 0.000 2.113 55 F HA -0.075 4.452 4.527 -0.000 0.000 0.297 55 F C 2.179 177.814 175.800 -0.274 0.000 1.103 55 F CA 1.874 59.537 58.000 -0.562 0.000 1.248 55 F CB -0.489 38.361 39.000 -0.251 0.000 0.999 55 F HN 0.427 nan 8.300 nan 0.000 0.475 56 E N 0.234 120.323 120.200 -0.185 0.000 2.085 56 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 56 E C 2.304 178.723 176.600 -0.301 0.000 0.994 56 E CA 1.744 57.959 56.400 -0.308 0.000 0.801 56 E CB -0.283 29.314 29.700 -0.172 0.000 0.743 56 E HN 0.493 nan 8.360 nan 0.000 0.453 57 L N -0.490 120.662 121.223 -0.119 0.000 2.027 57 L HA -0.150 4.190 4.340 -0.000 0.000 0.206 57 L C 2.452 179.277 176.870 -0.074 0.000 1.074 57 L CA 1.322 56.154 54.840 -0.014 0.000 0.745 57 L CB -0.749 41.416 42.059 0.176 0.000 0.898 57 L HN 0.402 nan 8.230 nan 0.000 0.433 58 W N 1.388 122.442 121.300 -0.410 0.000 2.338 58 W HA -0.251 4.409 4.660 -0.000 0.000 0.304 58 W C 2.524 178.643 176.519 -0.668 0.000 1.212 58 W CA 1.838 58.647 57.345 -0.894 0.000 1.264 58 W CB -0.225 28.539 29.460 -1.159 0.000 1.142 58 W HN 0.114 nan 8.180 nan 0.000 0.512 59 A N 0.489 122.834 122.820 -0.791 0.000 1.940 59 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 59 A C 1.769 179.101 177.584 -0.419 0.000 1.176 59 A CA 1.778 53.338 52.037 -0.794 0.000 0.631 59 A CB -0.682 17.900 19.000 -0.696 0.000 0.814 59 A HN 0.377 nan 8.150 nan 0.000 0.446 60 K N 0.182 120.396 120.400 -0.310 0.000 2.708 60 K HA 0.163 4.483 4.320 -0.000 0.000 0.219 60 K C -0.005 176.549 176.600 -0.078 0.000 1.068 60 K CA -0.320 55.905 56.287 -0.103 0.000 1.212 60 K CB 0.129 32.558 32.500 -0.118 0.000 0.978 60 K HN 0.350 nan 8.250 nan 0.000 0.475 61 R N 1.315 121.699 120.500 -0.194 0.000 2.697 61 R HA -0.033 4.307 4.340 -0.000 0.000 0.265 61 R C 0.256 176.540 176.300 -0.026 0.000 1.009 61 R CA 0.049 56.079 56.100 -0.117 0.000 1.099 61 R CB 0.183 30.314 30.300 -0.282 0.000 0.965 61 R HN 0.069 nan 8.270 nan 0.000 0.428 62 N N 2.990 121.716 118.700 0.043 0.000 2.406 62 N HA 0.038 4.778 4.740 -0.000 0.000 0.251 62 N C 0.496 176.017 175.510 0.019 0.000 1.069 62 N CA -0.185 52.885 53.050 0.034 0.000 0.947 62 N CB 0.588 39.109 38.487 0.056 0.000 1.111 62 N HN 0.554 nan 8.380 nan 0.000 0.497 63 I N -0.258 120.275 120.570 -0.062 0.000 3.883 63 I HA 0.260 4.430 4.170 -0.000 0.000 0.326 63 I C 0.204 176.291 176.117 -0.050 0.000 1.283 63 I CA -0.302 60.939 61.300 -0.098 0.000 1.161 63 I CB 0.013 37.842 38.000 -0.284 0.000 1.012 63 I HN 0.065 nan 8.210 nan 0.000 0.421 64 K N 2.241 122.635 120.400 -0.009 0.000 2.180 64 K HA 0.332 4.652 4.320 -0.000 0.000 0.251 64 K C -2.313 174.324 176.600 0.061 0.000 1.014 64 K CA -1.641 54.661 56.287 0.024 0.000 0.913 64 K CB -0.221 32.302 32.500 0.040 0.000 1.008 64 K HN -0.066 nan 8.250 nan 0.000 0.490 65 P HA -0.056 nan 4.420 nan 0.000 0.263 65 P C -1.085 176.377 177.300 0.269 0.000 1.195 65 P CA -0.080 63.111 63.100 0.152 0.000 0.762 65 P CB 0.455 32.232 31.700 0.128 0.000 0.799 66 V N 1.738 121.783 119.914 0.218 0.000 2.876 66 V HA 0.656 4.776 4.120 -0.000 0.000 0.312 66 V C -2.762 173.453 176.094 0.203 0.000 1.085 66 V CA -3.440 58.948 62.300 0.147 0.000 0.945 66 V CB 1.723 33.597 31.823 0.084 0.000 1.017 66 V HN 0.199 nan 8.190 nan 0.000 0.428 67 P HA 0.091 nan 4.420 nan 0.000 0.265 67 P C -0.141 177.251 177.300 0.152 0.000 1.187 67 P CA 0.341 63.560 63.100 0.198 0.000 0.766 67 P CB 0.259 32.043 31.700 0.140 0.000 0.820 68 E N 1.738 122.024 120.200 0.142 0.000 2.414 68 E HA -0.029 4.321 4.350 -0.000 0.000 0.263 68 E C 1.255 177.911 176.600 0.093 0.000 1.000 68 E CA -0.017 56.444 56.400 0.103 0.000 0.914 68 E CB 0.271 30.019 29.700 0.081 0.000 0.948 68 E HN 0.399 nan 8.360 nan 0.000 0.444 69 I N 3.751 124.365 120.570 0.073 0.000 2.335 69 I HA -0.360 3.810 4.170 -0.000 0.000 0.251 69 I C 2.418 178.565 176.117 0.051 0.000 1.129 69 I CA 1.490 62.819 61.300 0.048 0.000 1.402 69 I CB -0.300 37.698 38.000 -0.002 0.000 1.069 69 I HN 0.551 nan 8.210 nan 0.000 0.424 70 K N 0.981 121.413 120.400 0.052 0.000 2.074 70 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 70 K C 1.959 178.606 176.600 0.079 0.000 1.048 70 K CA 1.771 58.092 56.287 0.056 0.000 0.926 70 K CB -0.649 31.885 32.500 0.057 0.000 0.713 70 K HN 0.190 nan 8.250 nan 0.000 0.444 71 I N 2.116 122.742 120.570 0.093 0.000 2.142 71 I HA -0.244 3.926 4.170 -0.000 0.000 0.240 71 I C 2.461 178.623 176.117 0.074 0.000 1.078 71 I CA 1.296 62.655 61.300 0.098 0.000 1.343 71 I CB -0.396 37.647 38.000 0.071 0.000 1.046 71 I HN 0.089 nan 8.210 nan 0.000 0.405 72 L N 0.303 121.581 121.223 0.093 0.000 2.043 72 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 72 L C 2.310 179.237 176.870 0.095 0.000 1.075 72 L CA 1.418 56.322 54.840 0.106 0.000 0.752 72 L CB -0.930 41.218 42.059 0.149 0.000 0.891 72 L HN 0.342 nan 8.230 nan 0.000 0.432 73 N N 0.066 118.817 118.700 0.084 0.000 2.120 73 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 73 N C 1.611 177.157 175.510 0.060 0.000 1.024 73 N CA 1.216 54.306 53.050 0.067 0.000 0.852 73 N CB -0.570 37.942 38.487 0.042 0.000 1.003 73 N HN 0.333 nan 8.380 nan 0.000 0.424 74 N N 0.508 119.249 118.700 0.068 0.000 2.188 74 N HA -0.056 4.684 4.740 -0.000 0.000 0.184 74 N C 1.465 177.018 175.510 0.072 0.000 1.018 74 N CA 0.428 53.524 53.050 0.078 0.000 0.858 74 N CB -0.331 38.225 38.487 0.116 0.000 0.989 74 N HN 0.120 nan 8.380 nan 0.000 0.426 75 L N -0.209 121.043 121.223 0.048 0.000 2.201 75 L HA 0.071 4.411 4.340 -0.000 0.000 0.212 75 L C 1.522 178.417 176.870 0.042 0.000 1.105 75 L CA 1.352 56.204 54.840 0.020 0.000 0.775 75 L CB -1.031 41.016 42.059 -0.021 0.000 0.913 75 L HN 0.413 nan 8.230 nan 0.000 0.440 76 G N -1.770 107.059 108.800 0.049 0.000 2.148 76 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.203 76 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.203 76 G C 0.248 175.173 174.900 0.041 0.000 0.993 76 G CA -0.006 45.122 45.100 0.047 0.000 0.661 76 G HN 0.070 nan 8.290 nan 0.000 0.518 77 V N 1.864 121.803 119.914 0.042 0.000 2.441 77 V HA 0.075 4.195 4.120 -0.000 0.000 0.279 77 V C 1.301 177.370 176.094 -0.042 0.000 0.990 77 V CA 1.037 63.334 62.300 -0.006 0.000 1.116 77 V CB 0.615 32.438 31.823 0.000 0.000 0.977 77 V HN 0.349 nan 8.190 nan 0.000 0.470 78 D N 3.612 123.966 120.400 -0.077 0.000 2.289 78 D HA 0.235 4.875 4.640 -0.000 0.000 0.207 78 D C 0.438 176.616 176.300 -0.204 0.000 0.966 78 D CA 0.941 54.902 54.000 -0.065 0.000 0.868 78 D CB 1.033 41.816 40.800 -0.027 0.000 0.943 78 D HN 0.548 nan 8.370 nan 0.000 0.514 79 I N -1.037 119.290 120.570 -0.405 0.000 3.021 79 I HA 0.428 4.598 4.170 -0.000 0.000 0.305 79 I C -1.990 173.820 176.117 -0.512 0.000 1.434 79 I CA -0.836 60.177 61.300 -0.479 0.000 0.969 79 I CB 1.976 39.854 38.000 -0.204 0.000 1.328 79 I HN -0.180 nan 8.210 nan 0.000 0.486 80 A N 3.365 125.957 122.820 -0.380 0.000 2.374 80 A HA 0.898 5.217 4.320 -0.000 0.000 0.317 80 A C -0.759 176.674 177.584 -0.252 0.000 1.094 80 A CA -0.322 51.541 52.037 -0.290 0.000 0.765 80 A CB 1.514 20.430 19.000 -0.141 0.000 1.268 80 A HN 0.928 nan 8.150 nan 0.000 0.438 81 A N 2.100 124.713 122.820 -0.345 0.000 2.350 81 A HA 0.509 4.829 4.320 -0.000 0.000 0.293 81 A C 0.424 177.924 177.584 -0.140 0.000 1.231 81 A CA -0.184 51.672 52.037 -0.302 0.000 0.883 81 A CB -0.964 17.725 19.000 -0.518 0.000 1.133 81 A HN 1.357 nan 8.150 nan 0.000 0.533 82 N N -0.009 118.643 118.700 -0.080 0.000 2.725 82 N HA -0.153 4.587 4.740 -0.000 0.000 0.249 82 N C -0.077 175.425 175.510 -0.012 0.000 1.103 82 N CA 1.881 54.913 53.050 -0.029 0.000 0.707 82 N CB -1.340 37.142 38.487 -0.008 0.000 1.043 82 N HN 0.842 nan 8.380 nan 0.000 0.553 83 T N -2.052 112.493 114.554 -0.016 0.000 2.739 83 T HA 0.645 4.995 4.350 -0.000 0.000 0.303 83 T C -1.588 173.135 174.700 0.039 0.000 1.389 83 T CA -0.528 61.580 62.100 0.014 0.000 1.001 83 T CB 1.365 70.241 68.868 0.013 0.000 1.436 83 T HN -0.127 nan 8.240 nan 0.000 0.500 84 V N 3.288 123.245 119.914 0.071 0.000 2.448 84 V HA 0.538 4.658 4.120 -0.000 0.000 0.295 84 V C -0.335 175.855 176.094 0.160 0.000 1.025 84 V CA -0.909 61.467 62.300 0.127 0.000 0.859 84 V CB 1.601 33.513 31.823 0.147 0.000 0.988 84 V HN 0.667 nan 8.190 nan 0.000 0.431 85 I N 4.132 124.808 120.570 0.177 0.000 2.287 85 I HA 0.152 4.322 4.170 -0.000 0.000 0.290 85 I C 0.082 176.285 176.117 0.142 0.000 1.069 85 I CA -0.266 61.131 61.300 0.162 0.000 1.237 85 I CB 0.522 38.618 38.000 0.160 0.000 1.418 85 I HN 0.757 nan 8.210 nan 0.000 0.481 86 W N 6.643 127.954 121.300 0.019 0.000 2.304 86 W HA 0.057 4.717 4.660 -0.000 0.000 0.313 86 W C 0.045 176.560 176.519 -0.007 0.000 1.323 86 W CA -0.056 57.254 57.345 -0.057 0.000 1.223 86 W CB 0.953 30.292 29.460 -0.203 0.000 1.237 86 W HN 0.482 nan 8.180 nan 0.000 0.535 87 D N 5.753 125.823 120.400 -0.551 0.000 2.422 87 D HA -0.012 4.628 4.640 -0.000 0.000 0.227 87 D C 0.489 176.566 176.300 -0.372 0.000 1.190 87 D CA -0.139 53.659 54.000 -0.337 0.000 0.905 87 D CB 0.132 40.718 40.800 -0.357 0.000 1.034 87 D HN 0.340 nan 8.370 nan 0.000 0.507 88 Y N 2.508 122.799 120.300 -0.015 0.000 2.439 88 Y HA -0.103 4.447 4.550 -0.000 0.000 0.292 88 Y C 2.230 178.179 175.900 0.082 0.000 1.130 88 Y CA 0.666 58.874 58.100 0.181 0.000 1.254 88 Y CB 0.098 38.721 38.460 0.271 0.000 1.000 88 Y HN 0.267 nan 8.280 nan 0.000 0.554 89 K N 1.055 121.545 120.400 0.150 0.000 2.062 89 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 89 K C 1.654 178.262 176.600 0.014 0.000 1.051 89 K CA 1.452 57.788 56.287 0.081 0.000 0.941 89 K CB -0.108 32.423 32.500 0.051 0.000 0.719 89 K HN 0.140 nan 8.250 nan 0.000 0.440 90 R N 1.384 121.844 120.500 -0.067 0.000 2.299 90 R HA 0.015 4.355 4.340 -0.000 0.000 0.197 90 R C -0.441 175.771 176.300 -0.147 0.000 0.971 90 R CA 0.598 56.630 56.100 -0.114 0.000 1.030 90 R CB -0.309 29.890 30.300 -0.167 0.000 0.932 90 R HN 0.431 nan 8.270 nan 0.000 0.477 91 E N 0.014 120.134 120.200 -0.134 0.000 2.023 91 E HA -0.250 4.100 4.350 -0.000 0.000 0.164 91 E C -0.804 175.564 176.600 -0.387 0.000 1.456 91 E CA 0.449 56.788 56.400 -0.101 0.000 0.617 91 E CB -1.086 28.755 29.700 0.235 0.000 1.042 91 E HN 0.356 nan 8.360 nan 0.000 0.301 92 A N 1.686 123.843 122.820 -1.105 0.000 2.602 92 A HA 0.771 5.091 4.320 -0.000 0.000 0.290 92 A C -2.830 173.922 177.584 -1.387 0.000 1.114 92 A CA -1.443 49.971 52.037 -1.038 0.000 0.683 92 A CB 1.646 20.385 19.000 -0.435 0.000 1.281 92 A HN 0.184 nan 8.150 nan 0.000 0.416 93 P HA 0.332 nan 4.420 nan 0.000 0.274 93 P C 0.613 177.693 177.300 -0.367 0.000 1.237 93 P CA 0.540 63.406 63.100 -0.390 0.000 0.793 93 P CB 1.291 32.958 31.700 -0.056 0.000 0.977 94 A N 2.138 124.730 122.820 -0.380 0.000 1.970 94 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 94 A C 0.485 177.700 177.584 -0.616 0.000 1.170 94 A CA 1.264 52.965 52.037 -0.561 0.000 0.645 94 A CB -1.065 17.488 19.000 -0.746 0.000 0.816 94 A HN 0.741 nan 8.150 nan 0.000 0.447 95 H N -3.382 115.661 119.070 -0.044 0.000 2.679 95 H HA 0.484 5.040 4.556 -0.000 0.000 0.367 95 H C 0.969 176.283 175.328 -0.023 0.000 1.162 95 H CA -0.661 55.370 56.048 -0.030 0.000 1.181 95 H CB 1.722 31.470 29.762 -0.023 0.000 1.693 95 H HN -0.158 nan 8.280 nan 0.000 0.538 96 V N 0.485 120.459 119.914 0.100 0.000 2.261 96 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 96 V C 0.789 176.914 176.094 0.052 0.000 1.047 96 V CA 1.719 64.050 62.300 0.050 0.000 1.015 96 V CB -0.361 31.484 31.823 0.036 0.000 0.642 96 V HN 0.650 nan 8.190 nan 0.000 0.446 97 S N -1.498 114.234 115.700 0.054 0.000 2.719 97 S HA 0.586 5.056 4.470 -0.000 0.000 0.285 97 S C -0.082 174.539 174.600 0.035 0.000 1.137 97 S CA -0.246 57.974 58.200 0.034 0.000 1.012 97 S CB 1.898 65.107 63.200 0.016 0.000 1.134 97 S HN 0.491 nan 8.310 nan 0.000 0.544 98 T N 0.234 114.797 114.554 0.015 0.000 2.843 98 T HA 0.632 4.982 4.350 -0.000 0.000 0.302 98 T C -1.789 172.903 174.700 -0.014 0.000 1.232 98 T CA -0.531 61.573 62.100 0.007 0.000 1.009 98 T CB 0.608 69.488 68.868 0.020 0.000 1.254 98 T HN 0.445 nan 8.240 nan 0.000 0.504 99 I N 2.292 122.846 120.570 -0.028 0.000 2.410 99 I HA 0.474 4.644 4.170 -0.000 0.000 0.286 99 I C 1.006 177.111 176.117 -0.021 0.000 1.009 99 I CA -0.486 60.795 61.300 -0.032 0.000 1.111 99 I CB 1.645 39.609 38.000 -0.059 0.000 1.262 99 I HN 0.976 nan 8.210 nan 0.000 0.443 100 G N 4.167 112.960 108.800 -0.011 0.000 2.366 100 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.299 100 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.299 100 G C 0.297 175.193 174.900 -0.006 0.000 1.020 100 G CA 0.664 45.761 45.100 -0.005 0.000 1.026 100 G HN 0.492 nan 8.290 nan 0.000 0.512 101 V N -1.502 118.403 119.914 -0.016 0.000 3.054 101 V HA 0.370 4.490 4.120 -0.000 0.000 0.227 101 V C 1.348 177.405 176.094 -0.061 0.000 1.252 101 V CA 1.263 63.546 62.300 -0.030 0.000 1.279 101 V CB 1.084 32.895 31.823 -0.020 0.000 1.118 101 V HN 0.907 nan 8.190 nan 0.000 0.504 102 C N 0.840 120.112 119.300 -0.047 0.000 2.535 102 C HA 0.488 4.947 4.460 -0.000 0.000 0.319 102 C C 2.083 177.057 174.990 -0.027 0.000 1.171 102 C CA 0.275 59.260 59.018 -0.055 0.000 1.394 102 C CB 1.084 28.789 27.740 -0.058 0.000 1.990 102 C HN 0.750 nan 8.230 nan 0.000 0.466 103 T N 2.644 117.183 114.554 -0.025 0.000 2.803 103 T HA -0.163 4.187 4.350 -0.000 0.000 0.269 103 T C 1.588 176.287 174.700 -0.003 0.000 1.052 103 T CA 1.505 63.599 62.100 -0.011 0.000 1.136 103 T CB -0.215 68.648 68.868 -0.008 0.000 0.864 103 T HN 0.714 nan 8.240 nan 0.000 0.467 104 M N 1.924 121.523 119.600 -0.001 0.000 2.296 104 M HA 0.007 4.487 4.480 -0.000 0.000 0.265 104 M C 2.122 178.430 176.300 0.013 0.000 1.064 104 M CA 1.827 57.132 55.300 0.009 0.000 1.109 104 M CB -0.948 31.661 32.600 0.016 0.000 1.396 104 M HN 0.704 nan 8.290 nan 0.000 0.430 105 T N -4.710 109.850 114.554 0.010 0.000 3.043 105 T HA 0.160 4.509 4.350 -0.000 0.000 0.272 105 T C 0.218 174.924 174.700 0.010 0.000 0.990 105 T CA -0.504 61.605 62.100 0.015 0.000 0.897 105 T CB 0.317 69.200 68.868 0.024 0.000 1.111 105 T HN -0.024 nan 8.240 nan 0.000 0.529 106 D N 2.255 122.657 120.400 0.003 0.000 2.458 106 D HA 0.230 4.870 4.640 -0.000 0.000 0.243 106 D C 1.201 177.502 176.300 0.002 0.000 1.146 106 D CA -0.246 53.754 54.000 -0.000 0.000 0.877 106 D CB 1.121 41.919 40.800 -0.003 0.000 1.176 106 D HN 0.411 nan 8.370 nan 0.000 0.461 107 I N 0.125 120.695 120.570 -0.000 0.000 3.941 107 I HA 0.421 4.591 4.170 -0.000 0.000 0.321 107 I C 0.557 176.674 176.117 0.001 0.000 1.284 107 I CA -0.097 61.204 61.300 0.001 0.000 1.226 107 I CB 0.102 38.102 38.000 -0.000 0.000 1.045 107 I HN 0.230 nan 8.210 nan 0.000 0.420 108 A N 0.170 122.989 122.820 -0.001 0.000 2.605 108 A HA 0.555 4.875 4.320 -0.000 0.000 0.294 108 A C 0.195 177.779 177.584 0.001 0.000 1.062 108 A CA -0.647 51.391 52.037 0.002 0.000 0.682 108 A CB 1.024 20.026 19.000 0.004 0.000 1.278 108 A HN 0.006 nan 8.150 nan 0.000 0.410 109 K N -0.141 120.262 120.400 0.005 0.000 2.186 109 K HA 0.089 4.409 4.320 -0.000 0.000 0.202 109 K C 0.146 176.753 176.600 0.011 0.000 1.052 109 K CA 1.144 57.434 56.287 0.006 0.000 0.965 109 K CB 0.069 32.574 32.500 0.008 0.000 0.746 109 K HN 0.547 nan 8.250 nan 0.000 0.457 110 K N -0.798 119.613 120.400 0.018 0.000 2.422 110 K HA 0.188 4.507 4.320 -0.000 0.000 0.251 110 K C -2.354 174.273 176.600 0.044 0.000 0.933 110 K CA -2.084 54.223 56.287 0.033 0.000 0.798 110 K CB 2.171 34.694 32.500 0.038 0.000 1.238 110 K HN -0.326 nan 8.250 nan 0.000 0.428 111 P HA -0.234 nan 4.420 nan 0.000 0.216 111 P C 0.989 178.364 177.300 0.125 0.000 1.150 111 P CA 1.540 64.711 63.100 0.117 0.000 0.843 111 P CB 0.028 31.895 31.700 0.279 0.000 0.787 112 T N -3.051 111.565 114.554 0.104 0.000 2.803 112 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 112 T C 0.785 175.510 174.700 0.041 0.000 1.052 112 T CA 0.682 62.820 62.100 0.064 0.000 1.136 112 T CB -1.145 67.746 68.868 0.039 0.000 0.864 112 T HN 0.228 nan 8.240 nan 0.000 0.467 113 E N 1.597 121.819 120.200 0.036 0.000 2.467 113 E HA 0.091 4.441 4.350 -0.000 0.000 0.264 113 E C 1.206 177.818 176.600 0.021 0.000 1.020 113 E CA 0.051 56.465 56.400 0.023 0.000 0.945 113 E CB 0.453 30.165 29.700 0.019 0.000 0.942 113 E HN 0.330 nan 8.360 nan 0.000 0.449 114 S N 2.145 117.854 115.700 0.014 0.000 2.387 114 S HA -0.264 4.206 4.470 -0.000 0.000 0.230 114 S C 1.844 176.451 174.600 0.013 0.000 1.035 114 S CA 1.175 59.382 58.200 0.012 0.000 1.014 114 S CB -0.170 63.035 63.200 0.008 0.000 0.836 114 S HN 0.678 nan 8.310 nan 0.000 0.466 115 A N -0.047 122.780 122.820 0.011 0.000 2.225 115 A HA -0.047 4.273 4.320 -0.000 0.000 0.215 115 A C 1.968 179.558 177.584 0.010 0.000 1.164 115 A CA 1.042 53.084 52.037 0.009 0.000 0.710 115 A CB -0.918 18.086 19.000 0.007 0.000 0.780 115 A HN 0.653 nan 8.150 nan 0.000 0.473 116 C N -1.702 117.608 119.300 0.016 0.000 2.912 116 C HA 0.140 4.600 4.460 -0.000 0.000 0.274 116 C C 2.819 177.828 174.990 0.031 0.000 1.248 116 C CA 0.362 59.392 59.018 0.020 0.000 1.694 116 C CB -0.877 26.882 27.740 0.032 0.000 2.024 116 C HN 0.601 nan 8.230 nan 0.000 0.605 117 S N 2.275 117.991 115.700 0.027 0.000 2.381 117 S HA -0.195 4.275 4.470 -0.000 0.000 0.230 117 S C 1.931 176.545 174.600 0.024 0.000 1.052 117 S CA 2.283 60.498 58.200 0.024 0.000 1.068 117 S CB -0.300 62.908 63.200 0.014 0.000 0.918 117 S HN 0.855 nan 8.310 nan 0.000 0.448 118 S N 0.026 115.737 115.700 0.019 0.000 2.577 118 S HA 0.378 4.848 4.470 -0.000 0.000 0.219 118 S C 0.171 174.782 174.600 0.019 0.000 0.962 118 S CA -0.355 57.856 58.200 0.018 0.000 0.921 118 S CB -0.230 62.977 63.200 0.013 0.000 0.789 118 S HN 0.267 nan 8.310 nan 0.000 0.497 119 L N 1.799 123.034 121.223 0.019 0.000 2.329 119 L HA 0.450 4.790 4.340 -0.000 0.000 0.279 119 L C -0.399 176.484 176.870 0.022 0.000 1.014 119 L CA -0.674 54.172 54.840 0.010 0.000 0.814 119 L CB 1.698 43.751 42.059 -0.010 0.000 1.257 119 L HN -0.042 nan 8.230 nan 0.000 0.424 120 T N 2.817 117.382 114.554 0.018 0.000 2.743 120 T HA 0.247 4.596 4.350 -0.000 0.000 0.290 120 T C 0.256 174.947 174.700 -0.016 0.000 0.908 120 T CA -0.300 61.825 62.100 0.041 0.000 1.092 120 T CB 0.293 69.188 68.868 0.045 0.000 0.882 120 T HN 0.204 nan 8.240 nan 0.000 0.531 121 V N 4.807 124.728 119.914 0.011 0.000 2.644 121 V HA 0.372 4.492 4.120 -0.000 0.000 0.295 121 V C 0.443 176.405 176.094 -0.220 0.000 1.053 121 V CA -1.046 61.143 62.300 -0.186 0.000 0.987 121 V CB 1.617 33.249 31.823 -0.318 0.000 1.006 121 V HN 0.709 nan 8.190 nan 0.000 0.472 122 L N 3.891 124.889 121.223 -0.376 0.000 2.264 122 L HA 0.532 4.872 4.340 -0.000 0.000 0.289 122 L C -1.246 175.351 176.870 -0.456 0.000 1.044 122 L CA -0.151 54.521 54.840 -0.280 0.000 0.807 122 L CB 0.678 42.611 42.059 -0.210 0.000 1.192 122 L HN 0.530 nan 8.230 nan 0.000 0.425 123 F N 2.805 122.691 119.950 -0.106 0.000 2.480 123 F HA 0.378 4.905 4.527 -0.000 0.000 0.329 123 F C 0.291 175.977 175.800 -0.189 0.000 1.091 123 F CA -0.609 57.327 58.000 -0.106 0.000 0.972 123 F CB 1.572 40.547 39.000 -0.042 0.000 1.150 123 F HN 0.371 nan 8.300 nan 0.000 0.467 124 D N 1.196 121.615 120.400 0.031 0.000 2.256 124 D HA 0.263 4.903 4.640 -0.000 0.000 0.246 124 D C 0.856 177.148 176.300 -0.013 0.000 1.042 124 D CA -0.242 53.721 54.000 -0.063 0.000 0.841 124 D CB 2.240 42.994 40.800 -0.076 0.000 1.223 124 D HN 0.732 nan 8.370 nan 0.000 0.470 125 G N 2.760 111.538 108.800 -0.037 0.000 2.511 125 G HA2 -0.159 3.800 3.960 -0.000 0.000 0.217 125 G HA3 -0.159 3.800 3.960 -0.000 0.000 0.217 125 G C 1.447 176.358 174.900 0.019 0.000 1.133 125 G CA 0.204 45.303 45.100 -0.000 0.000 0.792 125 G HN 0.455 nan 8.290 nan 0.000 0.539 126 R N -0.616 119.896 120.500 0.021 0.000 2.115 126 R HA 0.097 4.437 4.340 -0.000 0.000 0.226 126 R C 1.012 177.326 176.300 0.024 0.000 1.100 126 R CA 0.169 56.287 56.100 0.030 0.000 0.980 126 R CB -0.090 30.235 30.300 0.041 0.000 0.875 126 R HN 0.269 nan 8.270 nan 0.000 0.445 127 V N 1.954 121.882 119.914 0.023 0.000 2.498 127 V HA 0.078 4.198 4.120 -0.000 0.000 0.279 127 V C -0.187 175.925 176.094 0.030 0.000 1.048 127 V CA -0.627 61.689 62.300 0.026 0.000 0.967 127 V CB 1.271 33.112 31.823 0.029 0.000 0.988 127 V HN 0.188 nan 8.190 nan 0.000 0.473 128 E N 4.981 125.196 120.200 0.024 0.000 2.585 128 E HA 0.303 4.653 4.350 -0.000 0.000 0.252 128 E C 1.227 177.844 176.600 0.028 0.000 0.981 128 E CA 1.086 57.498 56.400 0.021 0.000 0.943 128 E CB 0.096 29.804 29.700 0.014 0.000 0.923 128 E HN 1.325 nan 8.360 nan 0.000 0.486 129 G N 3.794 112.609 108.800 0.025 0.000 2.225 129 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.254 129 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.254 129 G C 0.904 175.831 174.900 0.045 0.000 0.988 129 G CA 0.475 45.591 45.100 0.026 0.000 0.625 129 G HN 0.628 nan 8.290 nan 0.000 0.527 130 Q N -0.135 119.709 119.800 0.074 0.000 2.172 130 Q HA 0.087 4.427 4.340 -0.000 0.000 0.200 130 Q C 2.825 178.875 176.000 0.083 0.000 0.964 130 Q CA 1.457 57.350 55.803 0.150 0.000 0.855 130 Q CB -0.028 28.833 28.738 0.204 0.000 0.918 130 Q HN 0.582 nan 8.270 nan 0.000 0.444 131 V N 0.931 120.866 119.914 0.035 0.000 2.332 131 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 131 V C 1.441 177.523 176.094 -0.020 0.000 1.055 131 V CA 2.262 64.563 62.300 0.003 0.000 1.038 131 V CB -0.491 31.326 31.823 -0.011 0.000 0.651 131 V HN 0.300 nan 8.190 nan 0.000 0.450 132 D N -0.535 119.840 120.400 -0.041 0.000 2.194 132 D HA -0.023 4.617 4.640 -0.000 0.000 0.204 132 D C 2.060 178.281 176.300 -0.131 0.000 0.964 132 D CA 0.558 54.514 54.000 -0.074 0.000 0.846 132 D CB -0.076 40.695 40.800 -0.050 0.000 0.962 132 D HN 0.326 nan 8.370 nan 0.000 0.490 133 L N -0.293 120.848 121.223 -0.137 0.000 2.083 133 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 133 L C 2.020 178.543 176.870 -0.577 0.000 1.083 133 L CA 0.711 55.423 54.840 -0.213 0.000 0.752 133 L CB -0.380 41.676 42.059 -0.006 0.000 0.899 133 L HN 0.137 nan 8.230 nan 0.000 0.433 134 F N 0.704 120.064 119.950 -0.982 0.000 2.186 134 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 134 F C 2.590 178.096 175.800 -0.490 0.000 1.090 134 F CA 1.301 58.648 58.000 -1.088 0.000 1.307 134 F CB -0.217 38.322 39.000 -0.768 0.000 1.019 134 F HN -0.129 nan 8.300 nan 0.000 0.489 135 R N 0.228 120.439 120.500 -0.483 0.000 2.152 135 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 135 R C 1.298 177.366 176.300 -0.387 0.000 1.117 135 R CA 1.420 57.254 56.100 -0.443 0.000 0.981 135 R CB -0.436 29.727 30.300 -0.227 0.000 0.870 135 R HN 0.442 nan 8.270 nan 0.000 0.451 136 N N 0.010 118.514 118.700 -0.325 0.000 2.282 136 N HA 0.070 4.810 4.740 -0.000 0.000 0.185 136 N C 0.092 175.482 175.510 -0.200 0.000 1.099 136 N CA 0.117 53.035 53.050 -0.219 0.000 0.878 136 N CB 0.592 38.993 38.487 -0.143 0.000 0.993 136 N HN 0.041 nan 8.380 nan 0.000 0.481 137 A N 1.652 124.310 122.820 -0.270 0.000 2.462 137 A HA 0.166 4.486 4.320 -0.000 0.000 0.243 137 A C 1.312 178.820 177.584 -0.127 0.000 1.076 137 A CA -0.227 51.729 52.037 -0.136 0.000 0.773 137 A CB 0.855 19.816 19.000 -0.065 0.000 1.010 137 A HN 0.003 nan 8.150 nan 0.000 0.493 138 R N 1.267 121.742 120.500 -0.041 0.000 2.070 138 R HA -0.014 4.326 4.340 -0.000 0.000 0.227 138 R C -0.041 176.251 176.300 -0.014 0.000 1.147 138 R CA 1.143 57.222 56.100 -0.035 0.000 0.924 138 R CB -0.635 29.660 30.300 -0.008 0.000 0.827 138 R HN 0.819 nan 8.270 nan 0.000 0.431 139 N N 0.264 118.988 118.700 0.040 0.000 2.399 139 N HA 0.488 5.227 4.740 -0.000 0.000 0.295 139 N C -0.140 175.471 175.510 0.168 0.000 1.048 139 N CA 0.044 53.141 53.050 0.078 0.000 0.886 139 N CB 2.267 40.793 38.487 0.064 0.000 1.185 139 N HN 0.304 nan 8.380 nan 0.000 0.487 140 G N -0.459 108.483 108.800 0.236 0.000 2.355 140 G HA2 0.365 4.325 3.960 -0.000 0.000 0.296 140 G HA3 0.365 4.325 3.960 -0.000 0.000 0.296 140 G C -1.933 173.263 174.900 0.494 0.000 1.507 140 G CA -0.468 44.883 45.100 0.419 0.000 0.823 140 G HN 0.306 nan 8.290 nan 0.000 0.569 141 V N 0.463 120.615 119.914 0.398 0.000 2.588 141 V HA 0.733 4.853 4.120 -0.000 0.000 0.304 141 V C -0.660 175.401 176.094 -0.055 0.000 1.042 141 V CA -0.766 61.650 62.300 0.194 0.000 0.877 141 V CB 1.599 33.485 31.823 0.104 0.000 0.996 141 V HN 0.911 nan 8.190 nan 0.000 0.425 142 L N 6.743 127.686 121.223 -0.467 0.000 2.329 142 L HA 0.776 5.116 4.340 -0.000 0.000 0.279 142 L C -0.555 176.082 176.870 -0.389 0.000 1.014 142 L CA -0.129 54.343 54.840 -0.614 0.000 0.814 142 L CB 1.633 42.866 42.059 -1.377 0.000 1.257 142 L HN 0.684 nan 8.230 nan 0.000 0.424 143 I N 1.441 121.767 120.570 -0.406 0.000 2.404 143 I HA 0.791 4.961 4.170 -0.000 0.000 0.293 143 I C -0.469 175.514 176.117 -0.223 0.000 0.992 143 I CA -0.295 60.691 61.300 -0.523 0.000 1.149 143 I CB 1.873 39.308 38.000 -0.943 0.000 1.315 143 I HN 0.675 nan 8.210 nan 0.000 0.446 144 T N 0.079 114.604 114.554 -0.047 0.000 2.916 144 T HA 0.420 4.770 4.350 -0.000 0.000 0.292 144 T C 0.336 175.134 174.700 0.163 0.000 1.055 144 T CA -0.613 61.541 62.100 0.089 0.000 1.009 144 T CB 2.662 71.637 68.868 0.178 0.000 1.118 144 T HN 0.774 nan 8.240 nan 0.000 0.497 145 E N 0.816 121.099 120.200 0.138 0.000 2.140 145 E HA 0.236 4.586 4.350 -0.000 0.000 0.191 145 E C 1.191 177.830 176.600 0.065 0.000 0.973 145 E CA 0.512 56.977 56.400 0.108 0.000 0.829 145 E CB -0.029 29.721 29.700 0.084 0.000 0.781 145 E HN 0.828 nan 8.360 nan 0.000 0.466 146 G N -0.513 108.331 108.800 0.073 0.000 3.135 146 G HA2 0.355 4.315 3.960 -0.000 0.000 0.159 146 G HA3 0.355 4.315 3.960 -0.000 0.000 0.159 146 G C -0.390 174.573 174.900 0.105 0.000 1.244 146 G CA -0.419 44.721 45.100 0.068 0.000 0.965 146 G HN 0.104 nan 8.290 nan 0.000 0.599 147 S N -1.904 113.853 115.700 0.096 0.000 2.655 147 S HA 0.614 5.084 4.470 -0.000 0.000 0.265 147 S C -0.615 174.050 174.600 0.107 0.000 1.240 147 S CA -0.314 57.963 58.200 0.129 0.000 0.986 147 S CB 1.621 64.876 63.200 0.092 0.000 0.985 147 S HN 0.421 nan 8.310 nan 0.000 0.562 148 V N 1.357 121.325 119.914 0.090 0.000 2.686 148 V HA 0.283 4.403 4.120 -0.000 0.000 0.306 148 V C -0.747 175.322 176.094 -0.041 0.000 1.065 148 V CA -0.946 61.334 62.300 -0.033 0.000 0.894 148 V CB 2.077 33.767 31.823 -0.221 0.000 1.004 148 V HN 0.749 nan 8.190 nan 0.000 0.424 149 K N 3.262 123.638 120.400 -0.041 0.000 2.419 149 K HA 0.398 4.718 4.320 -0.000 0.000 0.282 149 K C 1.099 177.672 176.600 -0.045 0.000 1.056 149 K CA 0.988 57.258 56.287 -0.028 0.000 1.035 149 K CB 0.259 32.744 32.500 -0.025 0.000 0.921 149 K HN 1.183 nan 8.250 nan 0.000 0.472 150 G N 2.529 111.316 108.800 -0.021 0.000 2.141 150 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.242 150 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.242 150 G C -0.219 174.672 174.900 -0.016 0.000 0.982 150 G CA -0.436 44.652 45.100 -0.019 0.000 0.662 150 G HN 0.470 nan 8.290 nan 0.000 0.527 151 L N 0.471 121.688 121.223 -0.010 0.000 2.422 151 L HA 0.567 4.907 4.340 -0.000 0.000 0.264 151 L C -0.002 177.003 176.870 0.226 0.000 0.984 151 L CA -0.953 53.911 54.840 0.039 0.000 0.819 151 L CB 2.396 44.329 42.059 -0.210 0.000 1.330 151 L HN 0.062 nan 8.230 nan 0.000 0.410 152 T N 3.173 117.901 114.554 0.291 0.000 2.729 152 T HA 0.309 4.659 4.350 -0.000 0.000 0.296 152 T C -2.372 172.555 174.700 0.378 0.000 0.928 152 T CA -0.989 61.278 62.100 0.279 0.000 1.045 152 T CB 0.538 69.508 68.868 0.170 0.000 0.902 152 T HN 0.279 nan 8.240 nan 0.000 0.500 153 P HA 0.253 nan 4.420 nan 0.000 0.279 153 P C -0.608 176.647 177.300 -0.074 0.000 1.239 153 P CA -0.496 62.561 63.100 -0.071 0.000 0.789 153 P CB 0.942 32.667 31.700 0.041 0.000 0.933 154 S N 1.942 117.540 115.700 -0.170 0.000 2.422 154 S HA 0.256 4.726 4.470 -0.000 0.000 0.308 154 S C 0.011 174.705 174.600 0.157 0.000 1.097 154 S CA -0.715 57.518 58.200 0.055 0.000 1.099 154 S CB -0.044 63.240 63.200 0.140 0.000 0.976 154 S HN 0.227 nan 8.310 nan 0.000 0.471 155 K N 4.354 124.860 120.400 0.176 0.000 2.395 155 K HA 0.307 4.627 4.320 -0.000 0.000 0.283 155 K C 0.717 177.539 176.600 0.372 0.000 1.068 155 K CA 0.246 56.658 56.287 0.207 0.000 1.039 155 K CB -0.298 32.290 32.500 0.147 0.000 0.924 155 K HN 0.681 nan 8.250 nan 0.000 0.468 156 G N 5.024 114.023 108.800 0.332 0.000 2.621 156 G HA2 0.294 4.254 3.960 -0.000 0.000 0.271 156 G HA3 0.294 4.254 3.960 -0.000 0.000 0.271 156 G C -2.307 172.447 174.900 -0.244 0.000 1.236 156 G CA -1.173 44.059 45.100 0.221 0.000 0.958 156 G HN 0.603 nan 8.290 nan 0.000 0.512 157 P HA 0.212 nan 4.420 nan 0.000 0.274 157 P C 0.496 177.646 177.300 -0.250 0.000 1.237 157 P CA 0.166 62.810 63.100 -0.759 0.000 0.793 157 P CB 1.468 32.663 31.700 -0.841 0.000 0.977 158 A N 1.957 124.694 122.820 -0.139 0.000 2.015 158 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 158 A C 0.873 178.391 177.584 -0.110 0.000 1.163 158 A CA 1.212 53.190 52.037 -0.098 0.000 0.646 158 A CB -0.774 18.199 19.000 -0.046 0.000 0.806 158 A HN 0.672 nan 8.150 nan 0.000 0.448 159 Q N -0.540 119.206 119.800 -0.091 0.000 2.241 159 Q HA 0.721 5.061 4.340 -0.000 0.000 0.254 159 Q C -0.472 175.508 176.000 -0.033 0.000 0.917 159 Q CA 0.304 56.071 55.803 -0.061 0.000 0.919 159 Q CB 1.566 30.283 28.738 -0.035 0.000 1.237 159 Q HN 0.364 nan 8.270 nan 0.000 0.434 160 A N 1.264 124.074 122.820 -0.018 0.000 2.498 160 A HA 0.721 5.041 4.320 -0.000 0.000 0.298 160 A C -0.832 176.784 177.584 0.053 0.000 1.075 160 A CA -0.837 51.243 52.037 0.072 0.000 0.714 160 A CB 2.008 21.083 19.000 0.125 0.000 1.299 160 A HN 0.542 nan 8.150 nan 0.000 0.407 161 S N 0.203 115.954 115.700 0.086 0.000 2.474 161 S HA 0.482 4.952 4.470 -0.000 0.000 0.276 161 S C -0.621 173.996 174.600 0.028 0.000 1.227 161 S CA -0.239 57.985 58.200 0.039 0.000 1.050 161 S CB -0.124 63.114 63.200 0.063 0.000 0.939 161 S HN 0.855 nan 8.310 nan 0.000 0.490 162 V N 7.341 127.236 119.914 -0.032 0.000 2.325 162 V HA 0.420 4.540 4.120 -0.000 0.000 0.280 162 V C 0.229 176.252 176.094 -0.119 0.000 1.016 162 V CA -0.923 61.352 62.300 -0.043 0.000 0.818 162 V CB 0.745 32.546 31.823 -0.036 0.000 1.019 162 V HN 1.051 nan 8.190 nan 0.000 0.434 163 N N 4.047 122.668 118.700 -0.133 0.000 2.725 163 N HA -0.222 4.518 4.740 -0.000 0.000 0.251 163 N C 1.253 176.279 175.510 -0.806 0.000 1.031 163 N CA 1.128 54.018 53.050 -0.267 0.000 0.720 163 N CB -0.679 37.737 38.487 -0.117 0.000 0.930 163 N HN 1.460 nan 8.380 nan 0.000 0.543 164 G N -2.086 106.099 108.800 -1.025 0.000 2.168 164 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.263 164 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.263 164 G C 0.101 174.789 174.900 -0.353 0.000 0.977 164 G CA 0.524 45.038 45.100 -0.976 0.000 0.659 164 G HN 0.458 nan 8.290 nan 0.000 0.533 165 V N 1.663 121.430 119.914 -0.246 0.000 2.370 165 V HA 0.668 4.787 4.120 -0.000 0.000 0.279 165 V C 0.750 176.797 176.094 -0.078 0.000 1.029 165 V CA 0.070 62.299 62.300 -0.119 0.000 0.870 165 V CB 1.424 33.192 31.823 -0.092 0.000 0.984 165 V HN 0.712 nan 8.190 nan 0.000 0.451 166 T N 5.459 119.984 114.554 -0.047 0.000 2.799 166 T HA 0.832 5.182 4.350 -0.000 0.000 0.286 166 T C -0.781 173.900 174.700 -0.032 0.000 0.973 166 T CA -0.437 61.647 62.100 -0.026 0.000 1.035 166 T CB 0.935 69.800 68.868 -0.005 0.000 0.932 166 T HN 0.820 nan 8.240 nan 0.000 0.469 167 L N 1.093 122.295 121.223 -0.035 0.000 2.710 167 L HA 0.667 5.007 4.340 -0.000 0.000 0.260 167 L C -1.291 175.546 176.870 -0.054 0.000 0.993 167 L CA -1.503 53.310 54.840 -0.044 0.000 0.877 167 L CB 1.374 43.406 42.059 -0.044 0.000 1.461 167 L HN 0.568 nan 8.230 nan 0.000 0.413 168 I N 1.760 122.296 120.570 -0.057 0.000 2.396 168 I HA 0.427 4.597 4.170 -0.000 0.000 0.289 168 I C 0.984 177.060 176.117 -0.068 0.000 1.056 168 I CA 0.058 61.318 61.300 -0.067 0.000 1.365 168 I CB 1.133 39.100 38.000 -0.055 0.000 1.407 168 I HN 0.819 nan 8.210 nan 0.000 0.509 169 G N 4.682 113.429 108.800 -0.088 0.000 2.358 169 G HA2 0.196 4.156 3.960 -0.000 0.000 0.273 169 G HA3 0.196 4.156 3.960 -0.000 0.000 0.273 169 G C 0.324 175.184 174.900 -0.067 0.000 1.215 169 G CA -0.286 44.765 45.100 -0.081 0.000 0.910 169 G HN 0.802 nan 8.290 nan 0.000 0.467 170 E N 1.412 121.582 120.200 -0.050 0.000 2.162 170 E HA -0.011 4.339 4.350 -0.000 0.000 0.193 170 E C 2.007 178.586 176.600 -0.035 0.000 0.953 170 E CA 0.364 56.740 56.400 -0.040 0.000 0.849 170 E CB 0.465 30.146 29.700 -0.031 0.000 0.810 170 E HN 0.454 nan 8.360 nan 0.000 0.470 171 S N 0.139 115.819 115.700 -0.034 0.000 2.556 171 S HA 0.183 4.653 4.470 -0.000 0.000 0.216 171 S C -0.059 174.523 174.600 -0.030 0.000 0.970 171 S CA -0.175 58.008 58.200 -0.028 0.000 0.912 171 S CB 1.047 64.233 63.200 -0.023 0.000 0.790 171 S HN 0.000 nan 8.310 nan 0.000 0.504 172 V N 0.499 120.388 119.914 -0.041 0.000 3.225 172 V HA 0.621 4.741 4.120 -0.000 0.000 0.293 172 V C -1.353 174.695 176.094 -0.078 0.000 1.405 172 V CA -0.847 61.425 62.300 -0.045 0.000 1.038 172 V CB 1.796 33.600 31.823 -0.031 0.000 1.123 172 V HN 0.060 nan 8.190 nan 0.000 0.447 173 K N 0.663 121.005 120.400 -0.095 0.000 2.312 173 K HA 0.553 4.873 4.320 -0.000 0.000 0.287 173 K C 0.736 177.136 176.600 -0.333 0.000 1.062 173 K CA 0.212 56.392 56.287 -0.178 0.000 0.934 173 K CB 0.468 32.876 32.500 -0.153 0.000 1.027 173 K HN 1.216 nan 8.250 nan 0.000 0.478 174 T N -1.202 113.122 114.554 -0.384 0.000 2.990 174 T HA 0.067 4.417 4.350 -0.000 0.000 0.249 174 T C 0.801 175.023 174.700 -0.797 0.000 1.039 174 T CA 0.188 61.973 62.100 -0.526 0.000 1.036 174 T CB 0.100 68.821 68.868 -0.245 0.000 0.994 174 T HN 0.611 nan 8.240 nan 0.000 0.489 175 Q N 0.689 120.155 119.800 -0.557 0.000 2.314 175 Q HA 0.459 4.799 4.340 -0.000 0.000 0.257 175 Q C -1.431 174.307 176.000 -0.435 0.000 0.975 175 Q CA -0.587 54.978 55.803 -0.396 0.000 0.933 175 Q CB 0.235 28.863 28.738 -0.183 0.000 1.195 175 Q HN 0.442 nan 8.270 nan 0.000 0.426 176 F N 1.955 121.892 119.950 -0.022 0.000 2.440 176 F HA 0.392 4.919 4.527 -0.000 0.000 0.328 176 F C 0.571 176.315 175.800 -0.093 0.000 1.070 176 F CA -1.114 56.814 58.000 -0.120 0.000 1.011 176 F CB 1.145 39.947 39.000 -0.330 0.000 1.226 176 F HN 0.464 nan 8.300 nan 0.000 0.491 177 N N 1.195 119.914 118.700 0.032 0.000 2.455 177 N HA 0.206 4.946 4.740 -0.000 0.000 0.280 177 N C -1.467 173.787 175.510 -0.426 0.000 1.055 177 N CA -0.317 52.653 53.050 -0.135 0.000 0.961 177 N CB 0.802 39.216 38.487 -0.121 0.000 1.121 177 N HN 0.420 nan 8.380 nan 0.000 0.476 178 Y N 1.755 121.772 120.300 -0.471 0.000 2.341 178 Y HA 0.462 5.011 4.550 -0.000 0.000 0.337 178 Y C -0.412 175.051 175.900 -0.728 0.000 1.014 178 Y CA -0.540 57.276 58.100 -0.474 0.000 1.111 178 Y CB 0.942 39.191 38.460 -0.353 0.000 1.194 178 Y HN 0.328 nan 8.280 nan 0.000 0.462 179 F N 2.288 122.243 119.950 0.008 0.000 2.540 179 F HA 0.540 5.067 4.527 -0.000 0.000 0.317 179 F C -0.252 175.632 175.800 0.141 0.000 1.104 179 F CA -1.106 56.938 58.000 0.073 0.000 0.913 179 F CB 1.977 41.014 39.000 0.061 0.000 1.170 179 F HN 0.191 nan 8.300 nan 0.000 0.450 180 K N 2.514 123.143 120.400 0.382 0.000 2.316 180 K HA 0.549 4.869 4.320 -0.000 0.000 0.251 180 K C -1.436 175.353 176.600 0.316 0.000 0.934 180 K CA -0.911 55.571 56.287 0.325 0.000 0.802 180 K CB 1.996 34.597 32.500 0.170 0.000 1.171 180 K HN 0.683 nan 8.250 nan 0.000 0.426 181 K N 3.195 123.756 120.400 0.269 0.000 2.545 181 K HA 0.335 4.654 4.320 -0.000 0.000 0.252 181 K C -1.741 174.903 176.600 0.074 0.000 0.948 181 K CA -0.679 55.668 56.287 0.099 0.000 0.827 181 K CB 1.785 34.224 32.500 -0.102 0.000 1.128 181 K HN 0.287 nan 8.250 nan 0.000 0.429 182 V N 3.880 123.823 119.914 0.049 0.000 2.444 182 V HA 0.167 4.287 4.120 -0.000 0.000 0.294 182 V C -0.588 175.515 176.094 0.016 0.000 1.022 182 V CA -0.721 61.603 62.300 0.040 0.000 0.850 182 V CB 1.571 33.423 31.823 0.048 0.000 0.992 182 V HN 0.921 nan 8.190 nan 0.000 0.426 183 D N 4.648 125.054 120.400 0.010 0.000 2.740 183 D HA -0.193 4.447 4.640 -0.000 0.000 0.231 183 D C 1.340 177.630 176.300 -0.017 0.000 1.194 183 D CA 1.824 55.823 54.000 -0.001 0.000 0.673 183 D CB -0.949 39.854 40.800 0.004 0.000 0.995 183 D HN 1.347 nan 8.370 nan 0.000 0.411 184 G N -1.004 107.774 108.800 -0.037 0.000 2.347 184 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.247 184 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.247 184 G C 0.493 175.354 174.900 -0.064 0.000 1.037 184 G CA 0.285 45.349 45.100 -0.061 0.000 0.622 184 G HN 0.546 nan 8.290 nan 0.000 0.521 185 I N 3.234 123.783 120.570 -0.034 0.000 2.342 185 I HA 0.336 4.506 4.170 -0.000 0.000 0.291 185 I C 0.876 176.991 176.117 -0.004 0.000 1.010 185 I CA -1.148 60.140 61.300 -0.019 0.000 1.308 185 I CB 1.077 39.077 38.000 -0.001 0.000 1.400 185 I HN -0.037 nan 8.210 nan 0.000 0.488 186 I N 5.910 126.479 120.570 -0.001 0.000 2.741 186 I HA -0.021 4.149 4.170 -0.000 0.000 0.288 186 I C 0.505 176.668 176.117 0.076 0.000 1.192 186 I CA 0.214 61.542 61.300 0.046 0.000 1.426 186 I CB -0.285 37.748 38.000 0.056 0.000 1.367 186 I HN 0.563 nan 8.210 nan 0.000 0.563 187 Q N 5.334 125.201 119.800 0.111 0.000 2.227 187 Q HA 0.289 4.629 4.340 -0.000 0.000 0.245 187 Q C -0.167 175.909 176.000 0.127 0.000 0.926 187 Q CA -0.454 55.413 55.803 0.106 0.000 0.895 187 Q CB 1.720 30.520 28.738 0.103 0.000 1.230 187 Q HN 0.503 nan 8.270 nan 0.000 0.450 188 Q N 2.557 122.421 119.800 0.106 0.000 2.372 188 Q HA 0.310 4.650 4.340 -0.000 0.000 0.259 188 Q C -0.962 175.105 176.000 0.111 0.000 0.993 188 Q CA -0.422 55.447 55.803 0.110 0.000 0.854 188 Q CB 0.515 29.305 28.738 0.087 0.000 1.231 188 Q HN 0.581 nan 8.270 nan 0.000 0.462 189 L N 7.008 128.310 121.223 0.132 0.000 2.410 189 L HA 0.251 4.591 4.340 -0.000 0.000 0.273 189 L C -1.624 175.343 176.870 0.163 0.000 1.144 189 L CA -1.400 53.544 54.840 0.173 0.000 0.863 189 L CB 0.118 42.306 42.059 0.215 0.000 1.140 189 L HN 0.507 nan 8.230 nan 0.000 0.463 190 P HA 0.044 nan 4.420 nan 0.000 0.272 190 P C -0.703 176.590 177.300 -0.011 0.000 1.240 190 P CA -0.512 62.622 63.100 0.057 0.000 0.791 190 P CB 0.484 32.213 31.700 0.047 0.000 0.978 191 E N 0.641 120.801 120.200 -0.066 0.000 2.415 191 E HA 0.158 4.508 4.350 -0.000 0.000 0.263 191 E C -0.118 176.314 176.600 -0.280 0.000 0.995 191 E CA 0.682 56.981 56.400 -0.168 0.000 0.915 191 E CB -0.072 29.538 29.700 -0.149 0.000 0.951 191 E HN 0.387 nan 8.360 nan 0.000 0.449 192 T N 2.248 116.497 114.554 -0.508 0.000 2.912 192 T HA 0.403 4.753 4.350 -0.000 0.000 0.299 192 T C -0.519 173.627 174.700 -0.923 0.000 1.052 192 T CA -0.681 61.000 62.100 -0.699 0.000 0.996 192 T CB 0.533 68.724 68.868 -1.128 0.000 1.070 192 T HN 0.202 nan 8.240 nan 0.000 0.465 193 Y N 0.746 120.684 120.300 -0.604 0.000 2.316 193 Y HA 0.626 5.176 4.550 -0.000 0.000 0.324 193 Y C -0.098 175.409 175.900 -0.654 0.000 1.267 193 Y CA -0.846 56.945 58.100 -0.514 0.000 1.311 193 Y CB 0.822 39.156 38.460 -0.209 0.000 1.267 193 Y HN 0.552 nan 8.280 nan 0.000 0.516 194 F N -0.096 119.901 119.950 0.078 0.000 2.520 194 F HA 0.343 4.870 4.527 -0.000 0.000 0.322 194 F C 0.232 176.070 175.800 0.064 0.000 1.103 194 F CA -1.205 56.812 58.000 0.029 0.000 0.926 194 F CB 1.674 40.670 39.000 -0.006 0.000 1.154 194 F HN 0.304 nan 8.300 nan 0.000 0.453 195 T N 1.519 116.232 114.554 0.265 0.000 2.940 195 T HA -0.037 4.313 4.350 -0.000 0.000 0.309 195 T C 0.852 175.631 174.700 0.133 0.000 1.056 195 T CA -0.083 62.116 62.100 0.164 0.000 1.137 195 T CB 1.069 70.015 68.868 0.131 0.000 0.976 195 T HN 0.543 nan 8.240 nan 0.000 0.547 196 Q N 1.207 121.060 119.800 0.088 0.000 2.389 196 Q HA 0.080 4.420 4.340 -0.000 0.000 0.204 196 Q C 0.510 176.515 176.000 0.009 0.000 0.944 196 Q CA 0.521 56.347 55.803 0.039 0.000 0.908 196 Q CB -0.191 28.547 28.738 0.000 0.000 1.002 196 Q HN 0.840 nan 8.270 nan 0.000 0.493 197 S N 0.453 116.174 115.700 0.035 0.000 3.625 197 S HA -0.210 4.260 4.470 -0.000 0.000 0.426 197 S C -0.486 174.116 174.600 0.003 0.000 0.884 197 S CA 0.647 58.866 58.200 0.032 0.000 1.322 197 S CB -1.101 62.117 63.200 0.030 0.000 0.905 197 S HN 0.388 nan 8.310 nan 0.000 0.586 198 R N 0.712 121.221 120.500 0.014 0.000 2.744 198 R HA 0.475 4.815 4.340 -0.000 0.000 0.279 198 R C -1.052 175.295 176.300 0.080 0.000 0.977 198 R CA -1.092 55.000 56.100 -0.013 0.000 0.906 198 R CB 1.125 31.314 30.300 -0.185 0.000 1.197 198 R HN 0.251 nan 8.270 nan 0.000 0.463 199 D N 2.064 122.507 120.400 0.071 0.000 2.264 199 D HA 0.027 4.667 4.640 -0.000 0.000 0.249 199 D C 0.971 177.360 176.300 0.148 0.000 1.070 199 D CA -0.438 53.616 54.000 0.090 0.000 0.912 199 D CB 1.627 42.460 40.800 0.056 0.000 1.193 199 D HN 0.183 nan 8.370 nan 0.000 0.427 200 L N 1.545 122.823 121.223 0.092 0.000 2.083 200 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 200 L C 1.934 178.847 176.870 0.072 0.000 1.083 200 L CA 1.842 56.721 54.840 0.064 0.000 0.752 200 L CB -0.497 41.538 42.059 -0.039 0.000 0.899 200 L HN 0.523 nan 8.230 nan 0.000 0.433 201 E N -1.010 119.222 120.200 0.054 0.000 2.107 201 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 201 E C 0.309 176.949 176.600 0.068 0.000 0.982 201 E CA 1.175 57.602 56.400 0.044 0.000 0.809 201 E CB 0.163 29.879 29.700 0.026 0.000 0.756 201 E HN 0.535 nan 8.360 nan 0.000 0.459 202 D N -0.071 120.378 120.400 0.081 0.000 2.643 202 D HA 0.024 4.664 4.640 -0.000 0.000 0.244 202 D C -0.756 175.596 176.300 0.086 0.000 1.257 202 D CA -0.237 53.802 54.000 0.066 0.000 0.831 202 D CB -0.320 40.498 40.800 0.029 0.000 1.043 202 D HN 0.097 nan 8.370 nan 0.000 0.488 203 F N 2.537 122.483 119.950 -0.007 0.000 2.506 203 F HA 0.044 4.571 4.527 -0.000 0.000 0.369 203 F C 0.427 176.226 175.800 -0.002 0.000 1.114 203 F CA 0.030 58.025 58.000 -0.008 0.000 1.121 203 F CB 0.313 39.303 39.000 -0.016 0.000 1.104 203 F HN -0.442 nan 8.300 nan 0.000 0.564 204 K N 8.581 128.858 120.400 -0.205 0.000 2.307 204 K HA 0.348 4.668 4.320 -0.000 0.000 0.263 204 K C -2.457 174.014 176.600 -0.214 0.000 0.973 204 K CA -1.946 54.281 56.287 -0.099 0.000 0.846 204 K CB 1.303 33.758 32.500 -0.074 0.000 1.100 204 K HN 0.355 nan 8.250 nan 0.000 0.438 205 P HA 0.146 nan 4.420 nan 0.000 0.268 205 P C -0.221 177.064 177.300 -0.024 0.000 1.208 205 P CA -0.110 63.008 63.100 0.029 0.000 0.777 205 P CB 0.772 32.560 31.700 0.146 0.000 0.875 206 R N -0.006 120.481 120.500 -0.020 0.000 2.566 206 R HA 0.234 4.574 4.340 -0.000 0.000 0.388 206 R C 0.247 176.558 176.300 0.019 0.000 0.989 206 R CA -0.077 56.012 56.100 -0.019 0.000 1.164 206 R CB 0.486 30.752 30.300 -0.056 0.000 1.459 206 R HN 0.683 nan 8.270 nan 0.000 0.553 207 S N -1.875 113.853 115.700 0.046 0.000 2.625 207 S HA 0.142 4.612 4.470 -0.000 0.000 0.271 207 S C 0.312 174.969 174.600 0.096 0.000 1.161 207 S CA -0.853 57.386 58.200 0.065 0.000 0.820 207 S CB 1.975 65.212 63.200 0.062 0.000 1.137 207 S HN -0.078 nan 8.310 nan 0.000 0.470 208 Q N 0.675 120.545 119.800 0.116 0.000 2.050 208 Q HA -0.019 4.321 4.340 -0.000 0.000 0.202 208 Q C 2.026 178.156 176.000 0.216 0.000 0.980 208 Q CA 2.476 58.377 55.803 0.164 0.000 0.840 208 Q CB -0.470 28.375 28.738 0.179 0.000 0.898 208 Q HN 0.800 nan 8.270 nan 0.000 0.424 209 M N -0.309 119.388 119.600 0.161 0.000 2.149 209 M HA -0.240 4.240 4.480 -0.000 0.000 0.261 209 M C 1.800 178.202 176.300 0.171 0.000 1.064 209 M CA 2.031 57.319 55.300 -0.019 0.000 1.102 209 M CB -0.088 32.302 32.600 -0.351 0.000 1.369 209 M HN 0.338 nan 8.290 nan 0.000 0.408 210 E N -0.656 119.624 120.200 0.133 0.000 2.047 210 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 210 E C 1.539 178.256 176.600 0.196 0.000 0.987 210 E CA 2.023 58.507 56.400 0.139 0.000 0.799 210 E CB 0.055 29.820 29.700 0.109 0.000 0.752 210 E HN 0.530 nan 8.360 nan 0.000 0.449 211 T N 1.000 115.666 114.554 0.186 0.000 2.929 211 T HA -0.124 4.226 4.350 -0.000 0.000 0.271 211 T C 1.014 175.845 174.700 0.218 0.000 1.085 211 T CA 1.154 63.362 62.100 0.181 0.000 1.125 211 T CB -0.124 68.834 68.868 0.149 0.000 0.874 211 T HN 0.172 nan 8.240 nan 0.000 0.494 212 D N 0.381 120.965 120.400 0.305 0.000 2.144 212 D HA 0.051 4.691 4.640 -0.000 0.000 0.207 212 D C 1.748 178.263 176.300 0.359 0.000 0.970 212 D CA 0.512 54.752 54.000 0.401 0.000 0.853 212 D CB -0.383 40.797 40.800 0.633 0.000 1.007 212 D HN 0.308 nan 8.370 nan 0.000 0.469 213 F N 1.915 121.903 119.950 0.063 0.000 2.115 213 F HA -0.253 4.274 4.527 -0.000 0.000 0.300 213 F C 2.166 177.865 175.800 -0.167 0.000 1.092 213 F CA 1.226 58.958 58.000 -0.447 0.000 1.245 213 F CB -0.029 38.565 39.000 -0.677 0.000 0.995 213 F HN -0.090 nan 8.300 nan 0.000 0.481 214 L N -0.130 121.181 121.223 0.146 0.000 1.988 214 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 214 L C 2.340 179.237 176.870 0.046 0.000 1.071 214 L CA 1.995 56.888 54.840 0.089 0.000 0.744 214 L CB -1.211 40.926 42.059 0.130 0.000 0.893 214 L HN 0.233 nan 8.230 nan 0.000 0.433 215 E N -0.507 119.746 120.200 0.088 0.000 2.158 215 E HA -0.014 4.336 4.350 -0.000 0.000 0.191 215 E C 0.853 177.496 176.600 0.072 0.000 0.982 215 E CA 0.019 56.466 56.400 0.079 0.000 0.823 215 E CB 0.188 29.947 29.700 0.099 0.000 0.766 215 E HN 0.329 nan 8.360 nan 0.000 0.468 216 L N 0.525 121.807 121.223 0.098 0.000 2.479 216 L HA 0.264 4.604 4.340 -0.000 0.000 0.249 216 L C 0.586 177.483 176.870 0.045 0.000 1.178 216 L CA -0.724 54.178 54.840 0.105 0.000 0.811 216 L CB 0.361 42.548 42.059 0.214 0.000 1.187 216 L HN 0.023 nan 8.230 nan 0.000 0.480 217 A N 0.457 123.304 122.820 0.046 0.000 2.250 217 A HA 0.286 4.606 4.320 -0.000 0.000 0.283 217 A C 0.877 178.462 177.584 0.002 0.000 1.206 217 A CA -0.274 51.764 52.037 0.001 0.000 0.840 217 A CB 0.502 19.499 19.000 -0.005 0.000 1.220 217 A HN 0.885 nan 8.150 nan 0.000 0.505 218 M N -0.702 118.832 119.600 -0.110 0.000 2.073 218 M HA -0.127 4.353 4.480 -0.000 0.000 0.259 218 M C 1.734 178.025 176.300 -0.015 0.000 1.079 218 M CA 2.621 57.777 55.300 -0.240 0.000 1.131 218 M CB -0.612 31.620 32.600 -0.613 0.000 1.316 218 M HN 0.937 nan 8.290 nan 0.000 0.415 219 D N -0.539 119.842 120.400 -0.032 0.000 2.221 219 D HA -0.223 4.417 4.640 -0.000 0.000 0.204 219 D C 1.538 177.879 176.300 0.069 0.000 0.982 219 D CA 1.273 55.285 54.000 0.021 0.000 0.857 219 D CB -0.470 40.327 40.800 -0.005 0.000 0.934 219 D HN 0.378 nan 8.370 nan 0.000 0.475 220 E N -0.571 119.682 120.200 0.090 0.000 2.112 220 E HA -0.049 4.301 4.350 -0.000 0.000 0.190 220 E C 1.660 178.363 176.600 0.171 0.000 0.979 220 E CA 0.268 56.729 56.400 0.102 0.000 0.814 220 E CB -0.470 29.283 29.700 0.089 0.000 0.762 220 E HN 0.470 nan 8.360 nan 0.000 0.460 221 F N 1.366 121.392 119.950 0.125 0.000 2.113 221 F HA -0.094 4.433 4.527 -0.000 0.000 0.297 221 F C 2.137 178.092 175.800 0.258 0.000 1.103 221 F CA 1.092 59.236 58.000 0.240 0.000 1.248 221 F CB -0.129 39.034 39.000 0.273 0.000 0.999 221 F HN -0.117 nan 8.300 nan 0.000 0.475 222 I N 0.222 121.001 120.570 0.348 0.000 2.286 222 I HA -0.323 3.847 4.170 -0.000 0.000 0.248 222 I C 2.317 178.453 176.117 0.031 0.000 1.115 222 I CA 1.440 62.858 61.300 0.196 0.000 1.392 222 I CB -0.619 37.517 38.000 0.226 0.000 1.065 222 I HN 0.307 nan 8.210 nan 0.000 0.418 223 Q N 0.159 119.975 119.800 0.025 0.000 2.020 223 Q HA -0.186 4.154 4.340 -0.000 0.000 0.198 223 Q C 2.414 178.368 176.000 -0.078 0.000 0.974 223 Q CA 1.177 56.968 55.803 -0.020 0.000 0.829 223 Q CB -0.215 28.517 28.738 -0.010 0.000 0.894 223 Q HN 0.357 nan 8.270 nan 0.000 0.433 224 R N -0.052 120.379 120.500 -0.114 0.000 2.091 224 R HA -0.170 4.170 4.340 -0.000 0.000 0.238 224 R C 0.954 177.007 176.300 -0.412 0.000 1.136 224 R CA 1.442 57.395 56.100 -0.245 0.000 0.959 224 R CB -0.002 30.147 30.300 -0.252 0.000 0.856 224 R HN 0.317 nan 8.270 nan 0.000 0.437 225 Y N 0.380 120.495 120.300 -0.309 0.000 2.493 225 Y HA 0.183 4.733 4.550 -0.000 0.000 0.275 225 Y C -0.234 175.558 175.900 -0.180 0.000 1.183 225 Y CA -0.303 57.629 58.100 -0.279 0.000 1.258 225 Y CB 0.458 38.649 38.460 -0.449 0.000 1.108 225 Y HN -0.080 nan 8.280 nan 0.000 0.521 226 K N 0.603 120.975 120.400 -0.046 0.000 5.349 226 K HA -0.191 4.129 4.320 -0.000 0.000 0.360 226 K C -0.349 176.282 176.600 0.051 0.000 0.960 226 K CA 0.519 56.802 56.287 -0.007 0.000 1.134 226 K CB -1.589 30.910 32.500 -0.002 0.000 1.782 226 K HN 0.449 nan 8.250 nan 0.000 0.408 227 L N 0.806 122.054 121.223 0.041 0.000 3.217 227 L HA 0.061 4.401 4.340 -0.000 0.000 0.288 227 L C 0.432 177.361 176.870 0.098 0.000 1.202 227 L CA -0.573 54.339 54.840 0.120 0.000 1.027 227 L CB 0.281 42.222 42.059 -0.196 0.000 1.427 227 L HN 0.433 nan 8.230 nan 0.000 0.600 228 E N 1.723 121.931 120.200 0.014 0.000 2.558 228 E HA 0.068 4.418 4.350 -0.000 0.000 0.255 228 E C 0.984 177.507 176.600 -0.129 0.000 0.968 228 E CA 1.007 57.392 56.400 -0.026 0.000 0.939 228 E CB 0.504 30.184 29.700 -0.034 0.000 0.921 228 E HN 0.321 nan 8.360 nan 0.000 0.477 229 G N 3.114 111.855 108.800 -0.099 0.000 2.176 229 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.232 229 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.232 229 G C 0.247 175.056 174.900 -0.153 0.000 0.986 229 G CA 0.179 45.182 45.100 -0.162 0.000 0.643 229 G HN 0.500 nan 8.290 nan 0.000 0.522 230 Y N 0.299 120.651 120.300 0.087 0.000 2.458 230 Y HA 0.563 5.113 4.550 -0.000 0.000 0.256 230 Y C 1.802 177.890 175.900 0.314 0.000 1.159 230 Y CA 0.176 58.353 58.100 0.130 0.000 1.261 230 Y CB 0.448 38.902 38.460 -0.009 0.000 1.119 230 Y HN 1.275 nan 8.280 nan 0.000 0.524 231 A N -0.062 123.010 122.820 0.419 0.000 2.519 231 A HA -0.255 4.065 4.320 -0.000 0.000 0.297 231 A C 0.629 178.593 177.584 0.634 0.000 1.472 231 A CA 0.641 52.941 52.037 0.439 0.000 0.739 231 A CB -2.361 16.860 19.000 0.369 0.000 1.096 231 A HN 0.373 nan 8.150 nan 0.000 0.414 232 F N -0.424 119.752 119.950 0.376 0.000 2.558 232 F HA 0.154 4.681 4.527 -0.000 0.000 0.298 232 F C 2.445 178.541 175.800 0.494 0.000 1.119 232 F CA 1.503 59.785 58.000 0.469 0.000 1.451 232 F CB -0.755 38.600 39.000 0.592 0.000 1.091 232 F HN 0.710 nan 8.300 nan 0.000 0.563 233 E N 0.363 120.861 120.200 0.496 0.000 2.118 233 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 233 E C 2.296 179.040 176.600 0.240 0.000 0.992 233 E CA 1.628 58.190 56.400 0.270 0.000 0.804 233 E CB -0.907 28.884 29.700 0.152 0.000 0.741 233 E HN 0.380 nan 8.360 nan 0.000 0.458 234 A N -0.349 122.622 122.820 0.253 0.000 1.887 234 A HA 0.325 4.645 4.320 -0.000 0.000 0.210 234 A C 2.453 180.141 177.584 0.173 0.000 1.221 234 A CA 0.939 53.085 52.037 0.181 0.000 0.635 234 A CB -0.036 19.072 19.000 0.180 0.000 0.881 234 A HN 0.408 nan 8.150 nan 0.000 0.456 235 I N -0.276 120.439 120.570 0.243 0.000 2.110 235 I HA -0.169 4.001 4.170 -0.000 0.000 0.236 235 I C 2.245 178.376 176.117 0.024 0.000 1.068 235 I CA 1.431 62.856 61.300 0.208 0.000 1.333 235 I CB -0.235 37.951 38.000 0.311 0.000 1.054 235 I HN 0.151 nan 8.210 nan 0.000 0.402 236 V N -1.008 118.847 119.914 -0.098 0.000 2.575 236 V HA -0.160 3.960 4.120 -0.000 0.000 0.242 236 V C 2.141 178.168 176.094 -0.112 0.000 1.045 236 V CA 1.165 63.291 62.300 -0.289 0.000 1.065 236 V CB -0.791 30.647 31.823 -0.642 0.000 0.717 236 V HN 0.248 nan 8.190 nan 0.000 0.467 237 Y N 1.581 121.934 120.300 0.090 0.000 2.242 237 Y HA 0.289 4.839 4.550 -0.000 0.000 0.291 237 Y C 1.687 177.599 175.900 0.021 0.000 1.137 237 Y CA 1.196 59.368 58.100 0.120 0.000 1.181 237 Y CB -0.469 38.059 38.460 0.113 0.000 0.989 237 Y HN 0.397 nan 8.280 nan 0.000 0.527 238 G N 1.530 110.356 108.800 0.044 0.000 3.445 238 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.680 238 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.680 238 G C -1.104 173.572 174.900 -0.374 0.000 0.972 238 G CA -0.387 44.547 45.100 -0.277 0.000 0.798 238 G HN 0.225 nan 8.290 nan 0.000 0.461 239 D N 0.974 121.191 120.400 -0.305 0.000 2.390 239 D HA 0.480 5.119 4.640 -0.000 0.000 0.249 239 D C 0.779 176.826 176.300 -0.422 0.000 1.144 239 D CA -0.360 53.520 54.000 -0.201 0.000 0.880 239 D CB 0.324 41.098 40.800 -0.043 0.000 1.182 239 D HN 0.206 nan 8.370 nan 0.000 0.451 240 F N 0.733 120.672 119.950 -0.019 0.000 2.729 240 F HA 0.073 4.600 4.527 -0.000 0.000 0.315 240 F C 2.167 177.922 175.800 -0.076 0.000 1.102 240 F CA -0.192 57.790 58.000 -0.030 0.000 1.204 240 F CB 0.244 39.228 39.000 -0.026 0.000 1.052 240 F HN 0.356 nan 8.300 nan 0.000 0.551 241 S N -1.802 113.871 115.700 -0.046 0.000 2.496 241 S HA 0.065 4.535 4.470 -0.000 0.000 0.224 241 S C 0.350 174.748 174.600 -0.336 0.000 0.996 241 S CA 0.302 58.366 58.200 -0.228 0.000 0.927 241 S CB -0.605 62.373 63.200 -0.371 0.000 0.774 241 S HN 0.355 nan 8.310 nan 0.000 0.524 242 H N -0.621 118.465 119.070 0.026 0.000 2.595 242 H HA 0.642 5.198 4.556 -0.000 0.000 0.346 242 H C 1.697 177.035 175.328 0.016 0.000 1.181 242 H CA -0.391 55.663 56.048 0.010 0.000 1.242 242 H CB 0.745 30.499 29.762 -0.013 0.000 1.652 242 H HN 0.101 nan 8.280 nan 0.000 0.548 243 G N 0.022 108.910 108.800 0.146 0.000 2.503 243 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.221 243 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.221 243 G C 0.498 175.441 174.900 0.072 0.000 1.131 243 G CA 0.715 45.866 45.100 0.085 0.000 0.756 243 G HN 0.584 nan 8.290 nan 0.000 0.572 244 Q N -0.341 119.495 119.800 0.061 0.000 2.256 244 Q HA 0.542 4.882 4.340 -0.000 0.000 0.257 244 Q C -0.650 175.358 176.000 0.013 0.000 0.936 244 Q CA -0.868 54.947 55.803 0.019 0.000 0.903 244 Q CB 1.515 30.236 28.738 -0.028 0.000 1.263 244 Q HN 0.251 nan 8.270 nan 0.000 0.440 245 L N 2.849 124.058 121.223 -0.023 0.000 2.416 245 L HA 0.466 4.806 4.340 -0.000 0.000 0.272 245 L C -0.074 176.697 176.870 -0.164 0.000 1.161 245 L CA 0.212 54.983 54.840 -0.114 0.000 0.845 245 L CB 0.580 42.577 42.059 -0.103 0.000 1.119 245 L HN 0.744 nan 8.230 nan 0.000 0.464 246 G N 2.330 110.994 108.800 -0.227 0.000 2.453 246 G HA2 0.563 4.523 3.960 -0.000 0.000 0.323 246 G HA3 0.563 4.523 3.960 -0.000 0.000 0.323 246 G C 0.023 174.754 174.900 -0.281 0.000 1.198 246 G CA -0.055 44.927 45.100 -0.197 0.000 0.959 246 G HN 1.163 nan 8.290 nan 0.000 0.482 247 G N 0.221 108.867 108.800 -0.257 0.000 2.561 247 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.289 247 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.289 247 G C 0.855 175.394 174.900 -0.602 0.000 1.169 247 G CA 0.233 45.161 45.100 -0.286 0.000 0.980 247 G HN 1.838 nan 8.290 nan 0.000 0.550 248 L N 0.030 121.043 121.223 -0.350 0.000 3.839 248 L HA -0.216 4.124 4.340 -0.000 0.000 0.416 248 L C 1.295 177.989 176.870 -0.294 0.000 1.195 248 L CA 0.983 55.646 54.840 -0.296 0.000 0.946 248 L CB -1.025 40.867 42.059 -0.278 0.000 1.891 248 L HN 0.798 nan 8.230 nan 0.000 0.963 249 H N -0.915 118.090 119.070 -0.108 0.000 2.539 249 H HA 0.268 4.824 4.556 -0.000 0.000 0.267 249 H C 0.735 175.964 175.328 -0.164 0.000 0.982 249 H CA 0.213 56.213 56.048 -0.081 0.000 1.146 249 H CB 0.528 30.293 29.762 0.005 0.000 1.382 249 H HN 0.171 nan 8.280 nan 0.000 0.577 250 L N 0.637 121.742 121.223 -0.195 0.000 2.334 250 L HA 0.087 4.427 4.340 -0.000 0.000 0.273 250 L C 1.585 178.328 176.870 -0.211 0.000 1.013 250 L CA -0.327 54.347 54.840 -0.276 0.000 0.816 250 L CB 2.043 43.784 42.059 -0.531 0.000 1.278 250 L HN 0.131 nan 8.230 nan 0.000 0.431 251 M N 2.984 122.505 119.600 -0.131 0.000 2.108 251 M HA -0.195 4.285 4.480 -0.000 0.000 0.261 251 M C 1.751 177.858 176.300 -0.321 0.000 1.066 251 M CA 1.914 57.152 55.300 -0.105 0.000 1.107 251 M CB -0.333 32.314 32.600 0.078 0.000 1.356 251 M HN 0.623 nan 8.290 nan 0.000 0.406 252 I N -0.518 119.807 120.570 -0.409 0.000 2.454 252 I HA -0.179 3.990 4.170 -0.000 0.000 0.254 252 I C 1.980 177.791 176.117 -0.512 0.000 1.156 252 I CA 1.497 62.370 61.300 -0.712 0.000 1.433 252 I CB -0.708 36.981 38.000 -0.518 0.000 1.082 252 I HN 0.482 nan 8.210 nan 0.000 0.432 253 G N 1.003 109.565 108.800 -0.397 0.000 2.421 253 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 253 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 253 G C 1.470 176.313 174.900 -0.094 0.000 1.171 253 G CA 0.718 45.709 45.100 -0.182 0.000 0.775 253 G HN 0.342 nan 8.290 nan 0.000 0.543 254 L N 1.276 122.408 121.223 -0.151 0.000 2.046 254 L HA 0.080 4.420 4.340 -0.000 0.000 0.208 254 L C 3.301 180.076 176.870 -0.159 0.000 1.077 254 L CA 1.641 56.419 54.840 -0.103 0.000 0.747 254 L CB -0.622 41.363 42.059 -0.123 0.000 0.896 254 L HN 0.258 nan 8.230 nan 0.000 0.432 255 A N -0.877 121.746 122.820 -0.328 0.000 1.940 255 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 255 A C 2.431 179.890 177.584 -0.209 0.000 1.176 255 A CA 1.632 53.437 52.037 -0.386 0.000 0.631 255 A CB -0.428 17.985 19.000 -0.978 0.000 0.814 255 A HN 0.217 nan 8.150 nan 0.000 0.446 256 K N -0.450 119.864 120.400 -0.143 0.000 2.057 256 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 256 K C 2.190 178.774 176.600 -0.026 0.000 1.050 256 K CA 0.969 57.236 56.287 -0.034 0.000 0.935 256 K CB -0.322 32.209 32.500 0.050 0.000 0.715 256 K HN 0.325 nan 8.250 nan 0.000 0.439 257 R N 0.583 121.077 120.500 -0.010 0.000 2.115 257 R HA 0.009 4.349 4.340 -0.000 0.000 0.230 257 R C 2.185 178.432 176.300 -0.089 0.000 1.111 257 R CA 0.885 56.963 56.100 -0.037 0.000 0.976 257 R CB -0.285 30.020 30.300 0.010 0.000 0.870 257 R HN 0.105 nan 8.270 nan 0.000 0.445 258 S N 1.290 116.943 115.700 -0.078 0.000 2.370 258 S HA -0.183 4.287 4.470 -0.000 0.000 0.226 258 S C 1.772 176.336 174.600 -0.061 0.000 1.033 258 S CA 1.278 59.433 58.200 -0.075 0.000 1.011 258 S CB -0.114 63.043 63.200 -0.070 0.000 0.852 258 S HN 0.445 nan 8.310 nan 0.000 0.457 259 Q N 0.272 120.042 119.800 -0.049 0.000 2.248 259 Q HA -0.178 4.162 4.340 -0.000 0.000 0.208 259 Q C 1.197 177.172 176.000 -0.042 0.000 0.984 259 Q CA 1.342 57.125 55.803 -0.033 0.000 0.875 259 Q CB -0.129 28.596 28.738 -0.021 0.000 0.910 259 Q HN 0.528 nan 8.270 nan 0.000 0.433 260 D N -0.538 119.824 120.400 -0.063 0.000 2.566 260 D HA 0.033 4.673 4.640 -0.000 0.000 0.253 260 D C 0.438 176.685 176.300 -0.089 0.000 0.992 260 D CA 0.899 54.855 54.000 -0.074 0.000 0.940 260 D CB 0.434 41.181 40.800 -0.088 0.000 1.095 260 D HN 0.132 nan 8.370 nan 0.000 0.480 261 S N 0.167 115.795 115.700 -0.119 0.000 2.546 261 S HA 0.603 5.072 4.470 -0.000 0.000 0.272 261 S C -3.066 171.461 174.600 -0.122 0.000 1.140 261 S CA -1.379 56.747 58.200 -0.122 0.000 0.920 261 S CB 2.503 65.611 63.200 -0.153 0.000 1.083 261 S HN -0.271 nan 8.310 nan 0.000 0.476 262 P HA 0.417 nan 4.420 nan 0.000 0.270 262 P C -1.093 176.164 177.300 -0.071 0.000 1.223 262 P CA -0.415 62.643 63.100 -0.070 0.000 0.785 262 P CB 0.328 31.997 31.700 -0.051 0.000 0.923 263 L N 1.157 122.349 121.223 -0.052 0.000 2.386 263 L HA 0.444 4.784 4.340 -0.000 0.000 0.271 263 L C 0.421 177.276 176.870 -0.025 0.000 0.993 263 L CA -0.845 53.979 54.840 -0.027 0.000 0.819 263 L CB 1.958 44.010 42.059 -0.011 0.000 1.294 263 L HN 0.216 nan 8.230 nan 0.000 0.414 264 K N 3.386 123.783 120.400 -0.006 0.000 2.284 264 K HA 0.383 4.702 4.320 -0.000 0.000 0.287 264 K C -1.341 175.268 176.600 0.015 0.000 1.081 264 K CA -0.654 55.628 56.287 -0.008 0.000 0.910 264 K CB 0.651 33.140 32.500 -0.018 0.000 1.088 264 K HN 0.365 nan 8.250 nan 0.000 0.478 265 L N 4.032 125.246 121.223 -0.016 0.000 2.272 265 L HA 0.267 4.607 4.340 -0.000 0.000 0.289 265 L C 0.086 177.035 176.870 0.133 0.000 1.032 265 L CA 0.093 54.925 54.840 -0.012 0.000 0.810 265 L CB 1.377 43.244 42.059 -0.319 0.000 1.205 265 L HN 0.561 nan 8.230 nan 0.000 0.422 266 E N 2.132 122.509 120.200 0.296 0.000 2.035 266 E HA 0.082 4.432 4.350 -0.000 0.000 0.271 266 E C -0.875 175.978 176.600 0.421 0.000 0.953 266 E CA -0.454 56.132 56.400 0.310 0.000 0.777 266 E CB 0.634 30.489 29.700 0.259 0.000 1.104 266 E HN 0.380 nan 8.360 nan 0.000 0.408 267 D N 4.680 125.255 120.400 0.292 0.000 2.551 267 D HA -0.011 4.629 4.640 -0.000 0.000 0.223 267 D C 0.656 176.939 176.300 -0.027 0.000 1.144 267 D CA -0.385 53.648 54.000 0.055 0.000 1.025 267 D CB -0.237 40.628 40.800 0.109 0.000 1.085 267 D HN 0.474 nan 8.370 nan 0.000 0.506 268 F N 1.323 121.305 119.950 0.053 0.000 2.771 268 F HA 0.145 4.672 4.527 -0.000 0.000 0.299 268 F C 0.769 176.569 175.800 -0.000 0.000 1.177 268 F CA -0.252 57.773 58.000 0.042 0.000 1.450 268 F CB -0.323 38.726 39.000 0.081 0.000 1.114 268 F HN 0.121 nan 8.300 nan 0.000 0.587 269 I N 2.891 123.256 120.570 -0.342 0.000 2.925 269 I HA 0.372 4.542 4.170 -0.000 0.000 0.296 269 I C -2.454 173.543 176.117 -0.200 0.000 1.413 269 I CA -2.893 58.273 61.300 -0.223 0.000 0.932 269 I CB 0.443 38.271 38.000 -0.287 0.000 1.873 269 I HN -0.213 nan 8.210 nan 0.000 0.619 270 P HA 0.070 nan 4.420 nan 0.000 0.261 270 P C -0.371 176.889 177.300 -0.067 0.000 1.650 270 P CA 0.132 63.186 63.100 -0.076 0.000 0.846 270 P CB -0.738 30.948 31.700 -0.024 0.000 1.758 271 M N -2.215 117.331 119.600 -0.091 0.000 2.578 271 M HA 0.615 5.095 4.480 -0.000 0.000 0.321 271 M C -0.556 175.699 176.300 -0.074 0.000 1.182 271 M CA -0.930 54.324 55.300 -0.075 0.000 0.965 271 M CB 1.328 33.881 32.600 -0.078 0.000 1.694 271 M HN -0.387 nan 8.290 nan 0.000 0.461 272 D N 1.732 122.105 120.400 -0.045 0.000 2.350 272 D HA 0.549 5.189 4.640 -0.000 0.000 0.249 272 D C -1.050 175.233 176.300 -0.029 0.000 1.119 272 D CA 0.491 54.476 54.000 -0.024 0.000 0.886 272 D CB 0.856 41.660 40.800 0.007 0.000 1.195 272 D HN 0.841 nan 8.370 nan 0.000 0.437 273 S N 1.001 116.684 115.700 -0.028 0.000 2.656 273 S HA 0.380 4.850 4.470 -0.000 0.000 0.273 273 S C 0.694 175.293 174.600 -0.001 0.000 1.168 273 S CA -0.707 57.479 58.200 -0.023 0.000 0.817 273 S CB 1.361 64.526 63.200 -0.058 0.000 1.146 273 S HN 0.304 nan 8.310 nan 0.000 0.475 274 T N 0.812 115.372 114.554 0.010 0.000 2.770 274 T HA 0.111 4.461 4.350 -0.000 0.000 0.258 274 T C 0.678 175.385 174.700 0.012 0.000 1.039 274 T CA 1.194 63.314 62.100 0.033 0.000 1.143 274 T CB -0.261 68.637 68.868 0.049 0.000 0.866 274 T HN 0.574 nan 8.240 nan 0.000 0.428 275 V N 2.851 122.748 119.914 -0.029 0.000 2.488 275 V HA 0.338 4.458 4.120 -0.000 0.000 0.277 275 V C 0.170 176.214 176.094 -0.084 0.000 1.046 275 V CA -0.498 61.767 62.300 -0.058 0.000 0.986 275 V CB 0.909 32.666 31.823 -0.111 0.000 0.989 275 V HN 0.129 nan 8.190 nan 0.000 0.475 276 K N 3.570 123.921 120.400 -0.082 0.000 2.292 276 K HA 0.471 4.791 4.320 -0.000 0.000 0.257 276 K C -0.885 175.538 176.600 -0.295 0.000 0.940 276 K CA -0.618 55.538 56.287 -0.219 0.000 0.811 276 K CB 1.835 34.245 32.500 -0.150 0.000 1.120 276 K HN 0.588 nan 8.250 nan 0.000 0.428 277 N N 2.463 120.861 118.700 -0.503 0.000 2.399 277 N HA 0.381 5.121 4.740 -0.000 0.000 0.295 277 N C -0.983 174.101 175.510 -0.710 0.000 1.048 277 N CA -0.201 52.614 53.050 -0.392 0.000 0.886 277 N CB 1.010 39.380 38.487 -0.194 0.000 1.185 277 N HN 0.360 nan 8.380 nan 0.000 0.487 278 Y N 0.005 120.347 120.300 0.071 0.000 2.576 278 Y HA 0.396 4.946 4.550 -0.000 0.000 0.346 278 Y C -0.597 175.566 175.900 0.439 0.000 1.018 278 Y CA -1.022 57.193 58.100 0.191 0.000 1.050 278 Y CB 2.126 40.657 38.460 0.118 0.000 1.280 278 Y HN 0.379 nan 8.280 nan 0.000 0.474 279 F N 4.168 124.419 119.950 0.501 0.000 2.313 279 F HA 0.557 5.084 4.527 -0.000 0.000 0.369 279 F C -0.930 174.993 175.800 0.204 0.000 1.109 279 F CA -0.601 57.577 58.000 0.296 0.000 1.132 279 F CB 0.121 39.260 39.000 0.232 0.000 1.291 279 F HN 0.285 nan 8.300 nan 0.000 0.496 280 I N 5.452 126.342 120.570 0.533 0.000 2.321 280 I HA 0.240 4.410 4.170 -0.000 0.000 0.291 280 I C -0.310 175.982 176.117 0.291 0.000 0.998 280 I CA -0.346 61.142 61.300 0.312 0.000 1.227 280 I CB 1.802 39.916 38.000 0.189 0.000 1.368 280 I HN 0.432 nan 8.210 nan 0.000 0.466 281 T N 3.778 118.443 114.554 0.185 0.000 2.797 281 T HA 0.200 4.550 4.350 -0.000 0.000 0.279 281 T C -0.587 174.175 174.700 0.103 0.000 0.991 281 T CA -0.503 61.679 62.100 0.136 0.000 0.979 281 T CB 1.445 70.346 68.868 0.054 0.000 0.943 281 T HN 0.464 nan 8.240 nan 0.000 0.444 282 D N 1.750 122.224 120.400 0.123 0.000 2.317 282 D HA 0.525 5.164 4.640 -0.000 0.000 0.234 282 D C 1.056 177.350 176.300 -0.011 0.000 1.112 282 D CA -0.611 53.423 54.000 0.056 0.000 0.840 282 D CB 1.079 41.947 40.800 0.112 0.000 1.078 282 D HN 0.470 nan 8.370 nan 0.000 0.486 283 A N 3.713 126.503 122.820 -0.050 0.000 1.933 283 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 283 A C 1.907 179.454 177.584 -0.062 0.000 1.175 283 A CA 1.591 53.598 52.037 -0.049 0.000 0.628 283 A CB -0.577 18.390 19.000 -0.054 0.000 0.814 283 A HN 0.640 nan 8.150 nan 0.000 0.444 284 Q N 0.019 119.756 119.800 -0.106 0.000 2.020 284 Q HA -0.139 4.200 4.340 -0.000 0.000 0.202 284 Q C 2.107 178.065 176.000 -0.071 0.000 0.982 284 Q CA 3.098 58.837 55.803 -0.106 0.000 0.838 284 Q CB -0.449 28.187 28.738 -0.171 0.000 0.899 284 Q HN 0.706 nan 8.270 nan 0.000 0.423 285 T N -5.673 108.845 114.554 -0.059 0.000 3.042 285 T HA 0.407 4.757 4.350 -0.000 0.000 0.245 285 T C 1.471 176.183 174.700 0.020 0.000 1.029 285 T CA 0.663 62.757 62.100 -0.010 0.000 1.120 285 T CB 0.436 69.319 68.868 0.026 0.000 0.917 285 T HN 0.502 nan 8.240 nan 0.000 0.467 286 G N 1.228 110.049 108.800 0.035 0.000 2.232 286 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.226 286 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.226 286 G C 0.335 175.287 174.900 0.088 0.000 0.996 286 G CA 0.387 45.517 45.100 0.050 0.000 0.626 286 G HN 1.129 nan 8.290 nan 0.000 0.509 287 S N 0.823 116.595 115.700 0.120 0.000 2.626 287 S HA 0.470 4.940 4.470 -0.000 0.000 0.303 287 S C 0.533 175.231 174.600 0.163 0.000 1.256 287 S CA 1.347 59.638 58.200 0.151 0.000 1.069 287 S CB 0.252 63.586 63.200 0.224 0.000 0.807 287 S HN 2.027 nan 8.310 nan 0.000 0.500 288 S N 3.767 119.547 115.700 0.134 0.000 2.564 288 S HA 0.684 5.154 4.470 -0.000 0.000 0.274 288 S C -1.230 173.430 174.600 0.100 0.000 1.124 288 S CA -1.069 57.232 58.200 0.169 0.000 0.869 288 S CB 1.805 65.151 63.200 0.245 0.000 1.105 288 S HN 0.877 nan 8.310 nan 0.000 0.472 289 K N 1.115 121.566 120.400 0.085 0.000 2.581 289 K HA 0.519 4.838 4.320 -0.000 0.000 0.249 289 K C -0.965 175.505 176.600 -0.217 0.000 0.966 289 K CA -0.761 55.484 56.287 -0.070 0.000 0.811 289 K CB 1.161 33.624 32.500 -0.062 0.000 1.223 289 K HN 1.007 nan 8.250 nan 0.000 0.438 290 C N 1.492 120.404 119.300 -0.646 0.000 2.539 290 C HA 0.445 4.905 4.460 -0.000 0.000 0.392 290 C C 0.680 175.473 174.990 -0.329 0.000 1.269 290 C CA -0.919 57.553 59.018 -0.910 0.000 2.250 290 C CB -0.199 26.596 27.740 -1.576 0.000 2.584 290 C HN 0.727 nan 8.230 nan 0.000 0.589 291 V N 0.477 120.340 119.914 -0.084 0.000 6.029 291 V HA -0.185 3.935 4.120 -0.000 0.000 0.242 291 V C 0.455 176.603 176.094 0.091 0.000 0.637 291 V CA 0.934 63.296 62.300 0.104 0.000 0.603 291 V CB -2.871 28.968 31.823 0.027 0.000 0.423 291 V HN 1.271 nan 8.190 nan 0.000 0.520 292 C N 1.798 121.188 119.300 0.150 0.000 2.281 292 C HA 0.839 5.299 4.460 -0.000 0.000 0.323 292 C C 0.911 176.050 174.990 0.249 0.000 1.270 292 C CA -0.258 58.876 59.018 0.194 0.000 1.559 292 C CB 0.336 28.121 27.740 0.075 0.000 2.239 292 C HN 0.993 nan 8.230 nan 0.000 0.488 293 S N 2.435 118.302 115.700 0.279 0.000 2.564 293 S HA 0.592 5.062 4.470 -0.000 0.000 0.278 293 S C -0.322 174.442 174.600 0.273 0.000 1.333 293 S CA -0.519 57.792 58.200 0.185 0.000 1.048 293 S CB 0.901 64.126 63.200 0.042 0.000 0.900 293 S HN 0.883 nan 8.310 nan 0.000 0.505 294 V N 3.978 124.011 119.914 0.198 0.000 2.447 294 V HA 0.480 4.600 4.120 -0.000 0.000 0.292 294 V C -0.367 175.806 176.094 0.131 0.000 1.021 294 V CA -0.623 61.793 62.300 0.192 0.000 0.850 294 V CB 1.183 33.171 31.823 0.275 0.000 1.005 294 V HN 0.966 nan 8.190 nan 0.000 0.426 295 I N 2.736 123.357 120.570 0.085 0.000 2.474 295 I HA 0.638 4.808 4.170 -0.000 0.000 0.294 295 I C -0.997 175.145 176.117 0.042 0.000 1.005 295 I CA -0.358 60.986 61.300 0.072 0.000 1.113 295 I CB 2.159 40.215 38.000 0.094 0.000 1.289 295 I HN 0.617 nan 8.210 nan 0.000 0.436 296 D N 7.842 128.282 120.400 0.067 0.000 2.499 296 D HA 0.409 5.049 4.640 -0.000 0.000 0.225 296 D C -0.884 175.454 176.300 0.064 0.000 1.124 296 D CA -0.091 53.951 54.000 0.070 0.000 0.938 296 D CB 0.435 41.303 40.800 0.113 0.000 1.014 296 D HN 0.476 nan 8.370 nan 0.000 0.517 297 L N 2.034 123.273 121.223 0.028 0.000 2.358 297 L HA 0.434 4.774 4.340 -0.000 0.000 0.268 297 L C 0.506 177.401 176.870 0.041 0.000 1.032 297 L CA -1.257 53.612 54.840 0.048 0.000 0.805 297 L CB 1.443 43.526 42.059 0.041 0.000 1.253 297 L HN 0.178 nan 8.230 nan 0.000 0.452 298 L N 1.767 123.031 121.223 0.069 0.000 2.462 298 L HA 0.007 4.347 4.340 -0.000 0.000 0.272 298 L C 1.285 178.190 176.870 0.058 0.000 1.166 298 L CA 0.205 55.081 54.840 0.060 0.000 0.880 298 L CB 0.776 42.882 42.059 0.079 0.000 1.142 298 L HN 0.655 nan 8.230 nan 0.000 0.473 299 L N 2.838 124.075 121.223 0.022 0.000 2.051 299 L HA -0.301 4.039 4.340 -0.000 0.000 0.214 299 L C 1.658 178.593 176.870 0.108 0.000 1.076 299 L CA 1.799 56.657 54.840 0.030 0.000 0.758 299 L CB -0.138 41.899 42.059 -0.036 0.000 0.890 299 L HN 0.775 nan 8.230 nan 0.000 0.433 300 D N -0.255 120.189 120.400 0.073 0.000 2.158 300 D HA -0.203 4.437 4.640 -0.000 0.000 0.197 300 D C 1.708 178.056 176.300 0.081 0.000 0.995 300 D CA 1.342 55.383 54.000 0.068 0.000 0.846 300 D CB -0.267 40.570 40.800 0.063 0.000 0.941 300 D HN 0.379 nan 8.370 nan 0.000 0.456 301 D N -0.640 119.824 120.400 0.106 0.000 2.149 301 D HA -0.102 4.538 4.640 -0.000 0.000 0.201 301 D C 1.681 177.956 176.300 -0.041 0.000 0.972 301 D CA 0.322 54.391 54.000 0.114 0.000 0.835 301 D CB -0.427 40.493 40.800 0.201 0.000 0.966 301 D HN 0.190 nan 8.370 nan 0.000 0.476 302 F N 1.373 121.245 119.950 -0.130 0.000 2.186 302 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 302 F C 2.095 177.826 175.800 -0.116 0.000 1.090 302 F CA 0.778 58.679 58.000 -0.165 0.000 1.307 302 F CB -0.201 38.720 39.000 -0.131 0.000 1.019 302 F HN -0.227 nan 8.300 nan 0.000 0.489 303 V N 0.453 120.345 119.914 -0.037 0.000 2.295 303 V HA -0.329 3.791 4.120 -0.000 0.000 0.246 303 V C 2.398 178.331 176.094 -0.268 0.000 1.049 303 V CA 2.282 64.500 62.300 -0.137 0.000 1.024 303 V CB -0.787 31.030 31.823 -0.010 0.000 0.648 303 V HN 0.423 nan 8.190 nan 0.000 0.447 304 E N 0.070 120.171 120.200 -0.164 0.000 2.058 304 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 304 E C 2.212 178.669 176.600 -0.238 0.000 0.997 304 E CA 1.855 58.173 56.400 -0.136 0.000 0.801 304 E CB -0.066 29.640 29.700 0.008 0.000 0.746 304 E HN 0.484 nan 8.360 nan 0.000 0.450 305 I N 1.075 121.422 120.570 -0.371 0.000 2.091 305 I HA -0.292 3.878 4.170 -0.000 0.000 0.239 305 I C 2.726 178.511 176.117 -0.553 0.000 1.061 305 I CA 1.364 62.377 61.300 -0.479 0.000 1.317 305 I CB -1.114 36.503 38.000 -0.638 0.000 1.031 305 I HN 0.320 nan 8.210 nan 0.000 0.401 306 I N 0.373 120.490 120.570 -0.755 0.000 2.394 306 I HA -0.251 3.919 4.170 -0.000 0.000 0.251 306 I C 2.520 178.308 176.117 -0.547 0.000 1.136 306 I CA 1.296 62.126 61.300 -0.783 0.000 1.425 306 I CB -0.080 37.391 38.000 -0.882 0.000 1.079 306 I HN 0.178 nan 8.210 nan 0.000 0.425 307 K N 0.042 120.140 120.400 -0.503 0.000 2.167 307 K HA -0.044 4.276 4.320 -0.000 0.000 0.203 307 K C 1.880 178.385 176.600 -0.159 0.000 1.052 307 K CA 1.370 57.450 56.287 -0.345 0.000 0.956 307 K CB -0.017 32.295 32.500 -0.313 0.000 0.735 307 K HN 0.376 nan 8.250 nan 0.000 0.451 308 S N 0.605 116.200 115.700 -0.175 0.000 2.603 308 S HA -0.020 4.450 4.470 -0.000 0.000 0.229 308 S C 0.592 175.130 174.600 -0.104 0.000 0.972 308 S CA 0.177 58.311 58.200 -0.110 0.000 0.935 308 S CB -0.041 63.102 63.200 -0.096 0.000 0.769 308 S HN 0.080 nan 8.310 nan 0.000 0.536 309 Q N 2.249 121.969 119.800 -0.135 0.000 2.243 309 Q HA 0.381 4.721 4.340 -0.000 0.000 0.252 309 Q C -0.351 175.620 176.000 -0.048 0.000 0.909 309 Q CA -0.373 55.362 55.803 -0.114 0.000 0.922 309 Q CB 0.720 29.341 28.738 -0.196 0.000 1.215 309 Q HN 0.217 nan 8.270 nan 0.000 0.427 310 D N 1.480 121.857 120.400 -0.038 0.000 2.390 310 D HA 0.019 4.659 4.640 -0.000 0.000 0.236 310 D C -0.094 176.199 176.300 -0.013 0.000 1.189 310 D CA 0.416 54.404 54.000 -0.020 0.000 0.887 310 D CB 0.815 41.601 40.800 -0.023 0.000 1.198 310 D HN 0.416 nan 8.370 nan 0.000 0.444 311 L N 1.298 122.518 121.223 -0.006 0.000 3.229 311 L HA 0.094 4.434 4.340 -0.000 0.000 0.286 311 L C 1.765 178.625 176.870 -0.016 0.000 1.239 311 L CA -0.129 54.708 54.840 -0.005 0.000 1.035 311 L CB 0.496 42.557 42.059 0.005 0.000 1.408 311 L HN 0.145 nan 8.230 nan 0.000 0.593 312 S N -0.709 114.981 115.700 -0.018 0.000 2.335 312 S HA 0.037 4.506 4.470 -0.000 0.000 0.217 312 S C 0.988 175.573 174.600 -0.025 0.000 1.032 312 S CA 0.420 58.609 58.200 -0.018 0.000 0.985 312 S CB 0.016 63.206 63.200 -0.017 0.000 0.896 312 S HN 0.113 nan 8.310 nan 0.000 0.445 313 V N 3.259 123.153 119.914 -0.034 0.000 2.715 313 V HA 0.087 4.207 4.120 -0.000 0.000 0.299 313 V C 1.276 177.338 176.094 -0.054 0.000 1.054 313 V CA -0.211 62.061 62.300 -0.047 0.000 1.077 313 V CB 0.440 32.225 31.823 -0.064 0.000 0.972 313 V HN 0.252 nan 8.190 nan 0.000 0.484 314 I N 3.015 123.556 120.570 -0.048 0.000 2.076 314 I HA -0.125 4.045 4.170 -0.000 0.000 0.237 314 I C 1.111 177.155 176.117 -0.120 0.000 1.059 314 I CA 1.708 62.994 61.300 -0.023 0.000 1.317 314 I CB -0.536 37.477 38.000 0.023 0.000 1.037 314 I HN 0.790 nan 8.210 nan 0.000 0.398 315 S N 0.720 116.251 115.700 -0.281 0.000 2.571 315 S HA 0.780 5.250 4.470 -0.000 0.000 0.284 315 S C -0.635 173.719 174.600 -0.411 0.000 1.128 315 S CA -0.932 56.887 58.200 -0.635 0.000 0.970 315 S CB 2.103 64.529 63.200 -1.290 0.000 1.039 315 S HN 0.428 nan 8.310 nan 0.000 0.485 316 K N 0.212 120.394 120.400 -0.363 0.000 2.533 316 K HA 0.725 5.045 4.320 -0.000 0.000 0.284 316 K C -1.706 174.786 176.600 -0.181 0.000 1.025 316 K CA -1.226 54.931 56.287 -0.217 0.000 0.900 316 K CB 1.230 33.654 32.500 -0.126 0.000 1.519 316 K HN 0.339 nan 8.250 nan 0.000 0.432 317 V N 1.764 121.610 119.914 -0.113 0.000 2.383 317 V HA 0.273 4.393 4.120 -0.000 0.000 0.275 317 V C -0.593 175.497 176.094 -0.007 0.000 1.036 317 V CA -0.738 61.518 62.300 -0.074 0.000 0.889 317 V CB 1.202 32.983 31.823 -0.069 0.000 0.985 317 V HN 0.498 nan 8.190 nan 0.000 0.459 318 V N 6.113 126.063 119.914 0.060 0.000 2.370 318 V HA 0.372 4.492 4.120 -0.000 0.000 0.283 318 V C 0.173 176.368 176.094 0.168 0.000 1.023 318 V CA -0.845 61.530 62.300 0.125 0.000 0.857 318 V CB 1.515 33.482 31.823 0.241 0.000 0.985 318 V HN 0.806 nan 8.190 nan 0.000 0.443 319 K N 3.968 124.435 120.400 0.112 0.000 2.211 319 K HA 0.731 5.051 4.320 -0.000 0.000 0.275 319 K C -1.116 175.562 176.600 0.130 0.000 1.024 319 K CA -0.467 55.895 56.287 0.124 0.000 0.887 319 K CB 1.917 34.456 32.500 0.065 0.000 1.084 319 K HN 0.476 nan 8.250 nan 0.000 0.463 320 V N 1.830 121.860 119.914 0.194 0.000 2.709 320 V HA 0.236 4.356 4.120 -0.000 0.000 0.308 320 V C -0.324 175.857 176.094 0.145 0.000 1.062 320 V CA -1.033 61.350 62.300 0.139 0.000 0.901 320 V CB 2.043 33.907 31.823 0.067 0.000 1.003 320 V HN 0.725 nan 8.190 nan 0.000 0.425 321 T N 6.088 120.707 114.554 0.108 0.000 2.747 321 T HA 0.656 5.006 4.350 -0.000 0.000 0.301 321 T C -0.269 174.462 174.700 0.052 0.000 0.952 321 T CA 0.220 62.357 62.100 0.062 0.000 0.983 321 T CB -0.213 68.658 68.868 0.004 0.000 0.930 321 T HN 0.426 nan 8.240 nan 0.000 0.494 322 I N 2.500 123.102 120.570 0.053 0.000 2.498 322 I HA 0.294 4.464 4.170 -0.000 0.000 0.290 322 I C -0.138 176.007 176.117 0.046 0.000 1.032 322 I CA -0.824 60.504 61.300 0.046 0.000 1.073 322 I CB 1.782 39.850 38.000 0.114 0.000 1.251 322 I HN 0.490 nan 8.210 nan 0.000 0.426 323 D N 5.680 126.110 120.400 0.051 0.000 2.708 323 D HA -0.272 4.368 4.640 -0.000 0.000 0.236 323 D C -0.367 176.081 176.300 0.247 0.000 1.146 323 D CA 0.929 55.068 54.000 0.231 0.000 0.662 323 D CB -0.988 39.946 40.800 0.223 0.000 1.059 323 D HN 0.702 nan 8.370 nan 0.000 0.428 324 Y N -3.462 116.884 120.300 0.077 0.000 3.491 324 Y HA -0.256 4.294 4.550 -0.000 0.000 0.215 324 Y C 0.821 176.740 175.900 0.031 0.000 1.219 324 Y CA 0.765 58.884 58.100 0.030 0.000 1.485 324 Y CB -1.680 36.786 38.460 0.010 0.000 1.450 324 Y HN 0.445 nan 8.280 nan 0.000 0.603 325 A N 0.351 123.245 122.820 0.123 0.000 2.393 325 A HA 0.609 4.929 4.320 -0.000 0.000 0.306 325 A C -0.395 177.227 177.584 0.063 0.000 1.050 325 A CA -0.818 51.272 52.037 0.089 0.000 0.724 325 A CB 1.230 20.274 19.000 0.073 0.000 1.248 325 A HN 0.301 nan 8.150 nan 0.000 0.424 326 E N 2.847 123.078 120.200 0.052 0.000 2.070 326 E HA 0.303 4.653 4.350 -0.000 0.000 0.282 326 E C -0.775 175.838 176.600 0.022 0.000 1.104 326 E CA -0.335 56.092 56.400 0.045 0.000 0.876 326 E CB 0.201 29.924 29.700 0.038 0.000 1.055 326 E HN 0.460 nan 8.360 nan 0.000 0.401 327 I N 3.941 124.534 120.570 0.039 0.000 2.297 327 I HA 0.113 4.283 4.170 -0.000 0.000 0.291 327 I C 0.116 176.202 176.117 -0.052 0.000 1.033 327 I CA -0.510 60.758 61.300 -0.054 0.000 1.253 327 I CB 0.906 38.854 38.000 -0.088 0.000 1.396 327 I HN 0.347 nan 8.210 nan 0.000 0.476 328 S N 6.836 122.454 115.700 -0.137 0.000 2.481 328 S HA 0.428 4.897 4.470 -0.000 0.000 0.276 328 S C -0.234 174.194 174.600 -0.288 0.000 1.247 328 S CA -0.136 57.995 58.200 -0.115 0.000 1.053 328 S CB 0.063 63.199 63.200 -0.107 0.000 0.925 328 S HN 0.269 nan 8.310 nan 0.000 0.491 329 F N 2.072 121.891 119.950 -0.218 0.000 2.497 329 F HA 0.541 5.068 4.527 -0.000 0.000 0.331 329 F C 0.483 176.005 175.800 -0.464 0.000 1.060 329 F CA -0.990 56.753 58.000 -0.429 0.000 0.989 329 F CB 1.071 39.752 39.000 -0.531 0.000 1.245 329 F HN 0.221 nan 8.300 nan 0.000 0.486 330 M N 3.452 122.737 119.600 -0.524 0.000 2.167 330 M HA 0.380 4.860 4.480 -0.000 0.000 0.333 330 M C -1.110 175.022 176.300 -0.279 0.000 1.030 330 M CA -0.603 54.400 55.300 -0.495 0.000 0.963 330 M CB 1.323 33.499 32.600 -0.707 0.000 1.589 330 M HN 0.517 nan 8.290 nan 0.000 0.431 331 L N 3.606 124.798 121.223 -0.052 0.000 2.322 331 L HA 0.714 5.054 4.340 -0.000 0.000 0.281 331 L C -2.005 174.822 176.870 -0.073 0.000 1.014 331 L CA -0.147 54.862 54.840 0.282 0.000 0.815 331 L CB 1.420 43.683 42.059 0.340 0.000 1.247 331 L HN 0.671 nan 8.230 nan 0.000 0.421 332 W N 4.333 125.782 121.300 0.248 0.000 2.656 332 W HA 0.653 5.313 4.660 -0.000 0.000 0.327 332 W C -1.038 175.547 176.519 0.109 0.000 1.041 332 W CA -0.336 57.108 57.345 0.165 0.000 1.229 332 W CB 2.029 31.603 29.460 0.191 0.000 1.397 332 W HN 0.466 nan 8.180 nan 0.000 0.479 333 C N 2.967 122.398 119.300 0.218 0.000 2.535 333 C HA 0.915 5.375 4.460 -0.000 0.000 0.319 333 C C 0.248 175.217 174.990 -0.034 0.000 1.171 333 C CA -0.898 58.150 59.018 0.049 0.000 1.394 333 C CB 0.194 27.932 27.740 -0.002 0.000 1.990 333 C HN 0.678 nan 8.230 nan 0.000 0.466 334 K N 0.707 120.951 120.400 -0.259 0.000 2.259 334 K HA 0.630 4.950 4.320 -0.000 0.000 0.249 334 K C 0.182 176.458 176.600 -0.540 0.000 0.942 334 K CA -0.369 55.739 56.287 -0.299 0.000 0.816 334 K CB 0.291 32.687 32.500 -0.173 0.000 1.155 334 K HN 0.789 nan 8.250 nan 0.000 0.428 335 D N 0.845 121.152 120.400 -0.155 0.000 2.730 335 D HA -0.210 4.430 4.640 -0.000 0.000 0.227 335 D C 1.013 177.337 176.300 0.039 0.000 1.196 335 D CA 2.378 56.382 54.000 0.008 0.000 0.620 335 D CB -1.531 39.387 40.800 0.195 0.000 1.012 335 D HN 1.827 nan 8.370 nan 0.000 0.411 336 G N -0.323 108.444 108.800 -0.055 0.000 2.155 336 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.257 336 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.257 336 G C 0.369 175.280 174.900 0.018 0.000 0.983 336 G CA 0.946 46.039 45.100 -0.011 0.000 0.676 336 G HN 0.943 nan 8.290 nan 0.000 0.528 337 H N -2.172 116.897 119.070 -0.002 0.000 2.960 337 H HA 0.765 5.321 4.556 -0.000 0.000 0.302 337 H C -0.530 174.830 175.328 0.053 0.000 1.515 337 H CA -0.630 55.406 56.048 -0.020 0.000 1.431 337 H CB 1.410 31.153 29.762 -0.031 0.000 1.890 337 H HN 0.185 nan 8.280 nan 0.000 0.762 338 V N 1.570 121.613 119.914 0.214 0.000 2.427 338 V HA 0.067 4.187 4.120 -0.000 0.000 0.286 338 V C 0.883 177.153 176.094 0.294 0.000 1.034 338 V CA -0.339 62.099 62.300 0.230 0.000 0.893 338 V CB 1.579 33.582 31.823 0.300 0.000 0.982 338 V HN 0.768 nan 8.190 nan 0.000 0.452 339 E N 1.922 122.286 120.200 0.274 0.000 2.035 339 E HA 0.102 4.452 4.350 -0.000 0.000 0.191 339 E C 0.627 177.417 176.600 0.317 0.000 0.966 339 E CA 0.876 57.444 56.400 0.280 0.000 0.823 339 E CB 0.537 30.399 29.700 0.270 0.000 0.791 339 E HN 0.670 nan 8.360 nan 0.000 0.459 340 T N -1.158 113.653 114.554 0.429 0.000 2.821 340 T HA 0.499 4.849 4.350 -0.000 0.000 0.306 340 T C -2.118 173.017 174.700 0.724 0.000 1.313 340 T CA -0.653 61.738 62.100 0.484 0.000 1.012 340 T CB 0.973 70.026 68.868 0.308 0.000 1.298 340 T HN 0.052 nan 8.240 nan 0.000 0.502 341 F N 4.329 124.591 119.950 0.519 0.000 2.588 341 F HA 0.705 5.232 4.527 -0.000 0.000 0.318 341 F C -1.700 174.419 175.800 0.531 0.000 1.155 341 F CA -0.593 57.690 58.000 0.471 0.000 0.967 341 F CB 1.447 40.638 39.000 0.318 0.000 1.236 341 F HN 0.814 nan 8.300 nan 0.000 0.455 342 Y N 3.922 124.085 120.300 -0.228 0.000 2.662 342 Y HA 0.745 5.295 4.550 -0.000 0.000 0.334 342 Y C -3.342 172.367 175.900 -0.318 0.000 1.185 342 Y CA -2.483 55.441 58.100 -0.293 0.000 1.074 342 Y CB 0.998 39.210 38.460 -0.413 0.000 1.330 342 Y HN 0.248 nan 8.280 nan 0.000 0.458 343 P HA 0.546 nan 4.420 nan 0.000 0.281 343 P C -1.062 175.965 177.300 -0.456 0.000 1.281 343 P CA -0.185 62.427 63.100 -0.814 0.000 0.811 343 P CB 1.867 33.030 31.700 -0.894 0.000 1.154 344 K N 0.000 120.143 120.400 -0.428 0.000 2.780 344 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 344 K CA 0.000 56.154 56.287 -0.222 0.000 0.838 344 K CB 0.000 32.453 32.500 -0.078 0.000 1.064 344 K HN 0.000 nan 8.250 nan 0.000 0.543