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 1e1r_1_C DATA FIRST_RESID 19 DATA SEQUENCE ADTSVDLEET GRVLSIGDGI ARVHGLRNVQ AEEMVEFSSG LKGMSLNLEP DATA SEQUENCE DNVGVVVFGN DKLIKEGDIV KRTGAIVDVP VGEELLGRVV DALGNAIDGK DATA SEQUENCE GPIGSKARRR VGLKAPGIIP RISVREPMQT GIKAVDSLVP IGRGQRELII DATA SEQUENCE GDRQTGKTSI AIDTIINQKR FNDGTDEKKK LYCIYVAIGQ KRSTVAQLVK DATA SEQUENCE RLTDADAMKY TIVVSATASD AAPLQYLAPY SGCSMGEYFR DNGKHALIIY DATA SEQUENCE DDLSKQAVAY RQMSLLLRRP PGREAYPGDV FYLHSRLLER AAKMNDAFGG DATA SEQUENCE GSLTALPVIE TQAGDVSAYI PTNVISITDG QIFLETELFY KGIRPAINVG DATA SEQUENCE LSVSRVGSAA QTRAMKQVAG TMKLELAQYR EVAAFAQFGS DLDAATQQLL DATA SEQUENCE SRGVRLTELL KQGQYSPMAI EEQVAVIYAG VRGYLDKLEP SKITKFENAF DATA SEQUENCE LSHVISQHQA LLGKIRTDGK ISEESDAKLK EIVTNFLAGF EA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.586 177.584 0.003 0.000 1.274 19 A CA 0.000 52.039 52.037 0.003 0.000 0.836 19 A CB 0.000 19.002 19.000 0.003 0.000 0.831 20 D N 2.594 122.996 120.400 0.004 0.000 2.339 20 D HA 0.360 5.000 4.640 0.000 0.000 0.256 20 D C 1.220 177.522 176.300 0.004 0.000 1.214 20 D CA 1.060 55.062 54.000 0.004 0.000 0.877 20 D CB 0.988 41.791 40.800 0.005 0.000 1.111 20 D HN 0.667 nan 8.370 nan 0.000 0.478 21 T N -0.563 113.993 114.554 0.003 0.000 3.174 21 T HA 0.031 4.381 4.350 0.000 0.000 0.269 21 T C 1.532 176.232 174.700 0.000 0.000 1.017 21 T CA 0.167 62.268 62.100 0.002 0.000 0.899 21 T CB -0.114 68.754 68.868 0.000 0.000 1.077 21 T HN 0.200 nan 8.240 nan 0.000 0.552 22 S N 0.699 116.400 115.700 0.001 0.000 2.428 22 S HA 0.066 4.536 4.470 0.000 0.000 0.230 22 S C 0.872 175.471 174.600 -0.002 0.000 1.014 22 S CA 0.121 58.321 58.200 -0.000 0.000 0.957 22 S CB -0.448 62.753 63.200 0.001 0.000 0.784 22 S HN 0.336 nan 8.310 nan 0.000 0.499 23 V N 4.494 124.408 119.914 0.001 0.000 2.180 23 V HA 0.276 4.396 4.120 0.000 0.000 0.265 23 V C -0.454 175.641 176.094 0.001 0.000 1.214 23 V CA -0.798 61.503 62.300 0.001 0.000 1.130 23 V CB -0.040 31.788 31.823 0.008 0.000 1.266 23 V HN 0.564 nan 8.190 nan 0.000 0.473 24 D N 2.965 123.361 120.400 -0.007 0.000 2.175 24 D HA 0.208 4.848 4.640 0.000 0.000 0.248 24 D C 0.911 177.198 176.300 -0.022 0.000 1.047 24 D CA -0.707 53.288 54.000 -0.009 0.000 0.883 24 D CB 2.447 43.240 40.800 -0.011 0.000 1.180 24 D HN 0.255 nan 8.370 nan 0.000 0.438 25 L N 0.654 121.861 121.223 -0.027 0.000 2.633 25 L HA -0.074 4.266 4.340 0.000 0.000 0.235 25 L C 1.846 178.670 176.870 -0.077 0.000 1.163 25 L CA 0.626 55.426 54.840 -0.066 0.000 0.859 25 L CB -0.494 41.513 42.059 -0.086 0.000 0.973 25 L HN 0.459 nan 8.230 nan 0.000 0.451 26 E N -0.251 119.919 120.200 -0.051 0.000 2.166 26 E HA -0.060 4.290 4.350 0.000 0.000 0.192 26 E C 1.508 178.080 176.600 -0.046 0.000 0.967 26 E CA 0.436 56.807 56.400 -0.048 0.000 0.840 26 E CB 0.348 30.029 29.700 -0.033 0.000 0.795 26 E HN 0.378 nan 8.360 nan 0.000 0.470 27 E N 0.374 120.550 120.200 -0.040 0.000 2.431 27 E HA 0.036 4.386 4.350 0.000 0.000 0.200 27 E C 0.815 177.386 176.600 -0.048 0.000 0.995 27 E CA 0.513 56.889 56.400 -0.039 0.000 0.915 27 E CB 0.978 30.661 29.700 -0.028 0.000 0.930 27 E HN 0.227 nan 8.360 nan 0.000 0.496 28 T N -2.522 112.002 114.554 -0.050 0.000 2.888 28 T HA 0.804 5.154 4.350 0.000 0.000 0.288 28 T C 0.317 174.979 174.700 -0.063 0.000 1.063 28 T CA -0.566 61.501 62.100 -0.055 0.000 1.010 28 T CB 2.497 71.344 68.868 -0.034 0.000 1.214 28 T HN 0.005 nan 8.240 nan 0.000 0.533 29 G N -0.261 108.504 108.800 -0.058 0.000 2.687 29 G HA2 0.677 4.637 3.960 0.000 0.000 0.291 29 G HA3 0.677 4.637 3.960 0.000 0.000 0.291 29 G C -1.797 173.109 174.900 0.009 0.000 1.420 29 G CA -1.158 43.916 45.100 -0.043 0.000 0.796 29 G HN 0.791 nan 8.290 nan 0.000 0.485 30 R N -0.519 120.024 120.500 0.072 0.000 2.621 30 R HA 0.526 4.866 4.340 0.000 0.000 0.292 30 R C -0.933 175.435 176.300 0.112 0.000 0.969 30 R CA -0.794 55.363 56.100 0.096 0.000 0.887 30 R CB 2.742 33.111 30.300 0.114 0.000 1.180 30 R HN 0.315 nan 8.270 nan 0.000 0.450 31 V N 5.060 125.040 119.914 0.110 0.000 2.479 31 V HA -0.011 4.109 4.120 0.000 0.000 0.281 31 V C 1.473 177.617 176.094 0.084 0.000 1.031 31 V CA 0.422 62.795 62.300 0.122 0.000 1.038 31 V CB 0.560 32.477 31.823 0.157 0.000 0.981 31 V HN 0.726 nan 8.190 nan 0.000 0.478 32 L N 3.950 125.219 121.223 0.077 0.000 2.162 32 L HA 0.122 4.463 4.340 0.000 0.000 0.205 32 L C 0.844 177.731 176.870 0.029 0.000 1.086 32 L CA 0.829 55.695 54.840 0.044 0.000 0.778 32 L CB 0.090 42.178 42.059 0.048 0.000 0.928 32 L HN 0.848 nan 8.230 nan 0.000 0.446 33 S N -0.897 114.825 115.700 0.036 0.000 2.542 33 S HA 0.588 5.058 4.470 0.000 0.000 0.276 33 S C -1.102 173.509 174.600 0.020 0.000 1.148 33 S CA -0.815 57.397 58.200 0.020 0.000 0.886 33 S CB 2.368 65.575 63.200 0.011 0.000 1.109 33 S HN 0.012 nan 8.310 nan 0.000 0.458 34 I N 0.843 121.414 120.570 0.001 0.000 2.534 34 I HA 0.898 5.068 4.170 0.000 0.000 0.288 34 I C -0.394 175.705 176.117 -0.031 0.000 1.077 34 I CA 0.249 61.538 61.300 -0.019 0.000 1.051 34 I CB 1.553 39.530 38.000 -0.038 0.000 1.234 34 I HN 1.319 nan 8.210 nan 0.000 0.425 35 G N 4.693 113.470 108.800 -0.037 0.000 2.633 35 G HA2 0.378 4.338 3.960 0.000 0.000 0.299 35 G HA3 0.378 4.338 3.960 0.000 0.000 0.299 35 G C -1.106 173.771 174.900 -0.039 0.000 1.501 35 G CA -0.516 44.562 45.100 -0.036 0.000 0.887 35 G HN 0.677 nan 8.290 nan 0.000 0.561 36 D N 0.027 120.404 120.400 -0.039 0.000 2.811 36 D HA -0.214 4.426 4.640 0.000 0.000 0.231 36 D C 1.639 177.912 176.300 -0.045 0.000 1.157 36 D CA 2.735 56.712 54.000 -0.037 0.000 0.716 36 D CB -1.079 39.701 40.800 -0.034 0.000 1.077 36 D HN 2.238 nan 8.370 nan 0.000 0.428 37 G N -1.070 107.694 108.800 -0.059 0.000 2.179 37 G HA2 -0.297 3.663 3.960 0.000 0.000 0.260 37 G HA3 -0.297 3.663 3.960 0.000 0.000 0.260 37 G C 0.196 175.049 174.900 -0.077 0.000 0.977 37 G CA 0.297 45.353 45.100 -0.074 0.000 0.641 37 G HN 0.452 nan 8.290 nan 0.000 0.533 38 I N 1.437 121.972 120.570 -0.058 0.000 2.330 38 I HA 0.691 4.861 4.170 0.000 0.000 0.289 38 I C 0.566 176.674 176.117 -0.016 0.000 1.001 38 I CA -1.034 60.242 61.300 -0.040 0.000 1.193 38 I CB 0.936 38.914 38.000 -0.036 0.000 1.345 38 I HN 0.340 nan 8.210 nan 0.000 0.461 39 A N 7.874 130.710 122.820 0.027 0.000 2.317 39 A HA 0.737 5.058 4.320 0.000 0.000 0.327 39 A C -0.071 177.560 177.584 0.079 0.000 1.178 39 A CA -0.747 51.338 52.037 0.079 0.000 0.817 39 A CB 0.967 20.096 19.000 0.215 0.000 1.189 39 A HN 0.552 nan 8.150 nan 0.000 0.489 40 R N 2.156 122.695 120.500 0.065 0.000 2.233 40 R HA 0.396 4.736 4.340 0.000 0.000 0.334 40 R C -1.092 175.252 176.300 0.073 0.000 1.037 40 R CA -0.304 55.828 56.100 0.054 0.000 0.920 40 R CB 0.807 31.130 30.300 0.038 0.000 1.137 40 R HN 0.453 nan 8.270 nan 0.000 0.492 41 V N 3.496 123.448 119.914 0.064 0.000 2.394 41 V HA 0.144 4.264 4.120 0.000 0.000 0.282 41 V C 0.278 176.411 176.094 0.065 0.000 1.031 41 V CA -0.932 61.406 62.300 0.064 0.000 0.881 41 V CB 1.215 33.045 31.823 0.012 0.000 0.982 41 V HN 0.641 nan 8.190 nan 0.000 0.451 42 H N 3.433 122.504 119.070 0.003 0.000 2.582 42 H HA 0.615 5.171 4.556 0.000 0.000 0.345 42 H C 0.587 175.910 175.328 -0.010 0.000 1.104 42 H CA 1.321 57.368 56.048 -0.002 0.000 1.390 42 H CB 0.932 30.695 29.762 0.002 0.000 1.461 42 H HN 1.063 nan 8.280 nan 0.000 0.551 43 G N 3.054 111.447 108.800 -0.679 0.000 2.503 43 G HA2 -0.226 3.734 3.960 0.000 0.000 0.235 43 G HA3 -0.226 3.734 3.960 0.000 0.000 0.235 43 G C -0.011 174.764 174.900 -0.208 0.000 1.179 43 G CA -0.385 44.455 45.100 -0.433 0.000 0.944 43 G HN 1.232 nan 8.290 nan 0.000 0.580 44 L N -0.287 120.851 121.223 -0.141 0.000 3.678 44 L HA -0.214 4.126 4.340 0.000 0.000 0.425 44 L C 2.250 179.069 176.870 -0.085 0.000 1.240 44 L CA 0.787 55.568 54.840 -0.099 0.000 0.876 44 L CB -0.710 41.294 42.059 -0.092 0.000 1.766 44 L HN 0.640 nan 8.230 nan 0.000 0.917 45 R N 0.149 120.596 120.500 -0.089 0.000 2.200 45 R HA -0.071 4.269 4.340 0.000 0.000 0.234 45 R C 1.389 177.661 176.300 -0.047 0.000 1.127 45 R CA 1.251 57.309 56.100 -0.068 0.000 0.989 45 R CB -0.281 29.979 30.300 -0.067 0.000 0.869 45 R HN 0.595 nan 8.270 nan 0.000 0.459 46 N N 0.260 118.934 118.700 -0.044 0.000 2.236 46 N HA 0.000 4.740 4.740 0.000 0.000 0.196 46 N C 0.285 175.777 175.510 -0.030 0.000 1.114 46 N CA 0.070 53.100 53.050 -0.032 0.000 0.859 46 N CB 0.407 38.877 38.487 -0.028 0.000 0.982 46 N HN 0.005 nan 8.380 nan 0.000 0.493 47 V N -0.031 119.861 119.914 -0.037 0.000 3.032 47 V HA 0.027 4.147 4.120 0.000 0.000 0.307 47 V C 0.368 176.450 176.094 -0.021 0.000 1.097 47 V CA -0.404 61.877 62.300 -0.032 0.000 1.191 47 V CB 0.214 32.013 31.823 -0.039 0.000 0.964 47 V HN 0.089 nan 8.190 nan 0.000 0.494 48 Q N 2.193 121.985 119.800 -0.013 0.000 2.215 48 Q HA 0.733 5.073 4.340 0.000 0.000 0.256 48 Q C 0.085 176.085 176.000 0.000 0.000 0.972 48 Q CA -0.562 55.238 55.803 -0.004 0.000 0.889 48 Q CB 1.592 30.330 28.738 0.000 0.000 1.281 48 Q HN 1.138 nan 8.270 nan 0.000 0.456 49 A N 1.328 124.151 122.820 0.006 0.000 2.540 49 A HA 0.029 4.349 4.320 0.000 0.000 0.239 49 A C 0.175 177.771 177.584 0.020 0.000 1.061 49 A CA 0.388 52.433 52.037 0.013 0.000 0.758 49 A CB -0.284 18.727 19.000 0.017 0.000 0.991 49 A HN 0.954 nan 8.150 nan 0.000 0.502 50 E N -0.753 119.464 120.200 0.028 0.000 3.801 50 E HA -0.209 4.141 4.350 0.000 0.000 0.319 50 E C 0.196 176.826 176.600 0.050 0.000 0.784 50 E CA 1.256 57.682 56.400 0.045 0.000 1.183 50 E CB -1.307 28.416 29.700 0.038 0.000 1.601 50 E HN 0.928 nan 8.360 nan 0.000 0.441 51 E N 0.562 120.782 120.200 0.033 0.000 2.373 51 E HA 0.267 4.617 4.350 0.000 0.000 0.267 51 E C -0.020 176.609 176.600 0.048 0.000 1.032 51 E CA -0.120 56.299 56.400 0.031 0.000 0.889 51 E CB 0.697 30.401 29.700 0.007 0.000 0.984 51 E HN 0.103 nan 8.360 nan 0.000 0.425 52 M N 4.678 124.315 119.600 0.062 0.000 2.211 52 M HA 0.216 4.696 4.480 0.000 0.000 0.356 52 M C -0.808 175.510 176.300 0.030 0.000 1.216 52 M CA -0.515 54.839 55.300 0.089 0.000 1.134 52 M CB 0.814 33.487 32.600 0.121 0.000 1.564 52 M HN 0.435 nan 8.290 nan 0.000 0.463 53 V N 1.512 121.430 119.914 0.006 0.000 3.046 53 V HA 0.700 4.820 4.120 0.000 0.000 0.316 53 V C -1.106 174.932 176.094 -0.093 0.000 1.104 53 V CA -0.834 61.408 62.300 -0.097 0.000 1.006 53 V CB 2.062 33.758 31.823 -0.212 0.000 1.058 53 V HN 0.883 nan 8.190 nan 0.000 0.440 54 E N 1.301 121.410 120.200 -0.152 0.000 2.210 54 E HA 0.568 4.919 4.350 0.000 0.000 0.266 54 E C -1.776 174.736 176.600 -0.147 0.000 0.883 54 E CA -0.388 55.981 56.400 -0.051 0.000 0.761 54 E CB 2.477 32.181 29.700 0.007 0.000 1.156 54 E HN 0.619 nan 8.360 nan 0.000 0.412 55 F N 1.126 121.095 119.950 0.031 0.000 2.379 55 F HA 0.055 4.582 4.527 0.000 0.000 0.332 55 F C 1.938 177.752 175.800 0.023 0.000 1.096 55 F CA -0.167 57.847 58.000 0.023 0.000 1.105 55 F CB 1.495 40.508 39.000 0.021 0.000 1.189 55 F HN 0.532 nan 8.300 nan 0.000 0.515 56 S N -0.393 115.431 115.700 0.207 0.000 2.407 56 S HA -0.234 4.236 4.470 0.000 0.000 0.235 56 S C 1.501 176.168 174.600 0.113 0.000 1.036 56 S CA 1.503 59.774 58.200 0.119 0.000 1.013 56 S CB -0.953 62.304 63.200 0.094 0.000 0.820 56 S HN 0.622 nan 8.310 nan 0.000 0.476 57 S N 0.553 116.336 115.700 0.138 0.000 2.754 57 S HA 0.530 5.000 4.470 0.000 0.000 0.223 57 S C 1.575 176.231 174.600 0.092 0.000 0.951 57 S CA 0.191 58.445 58.200 0.091 0.000 0.954 57 S CB -0.489 62.745 63.200 0.056 0.000 0.780 57 S HN 1.233 nan 8.310 nan 0.000 0.509 58 G N 0.609 109.479 108.800 0.116 0.000 2.383 58 G HA2 -0.264 3.696 3.960 0.000 0.000 0.229 58 G HA3 -0.264 3.696 3.960 0.000 0.000 0.229 58 G C -0.016 174.968 174.900 0.140 0.000 1.089 58 G CA -0.045 45.117 45.100 0.103 0.000 0.640 58 G HN 0.463 nan 8.290 nan 0.000 0.510 59 L N 1.904 123.222 121.223 0.158 0.000 2.543 59 L HA 0.396 4.736 4.340 0.000 0.000 0.285 59 L C 0.964 178.038 176.870 0.339 0.000 1.236 59 L CA 1.082 56.036 54.840 0.190 0.000 0.871 59 L CB 0.479 42.580 42.059 0.070 0.000 1.121 59 L HN 0.413 nan 8.230 nan 0.000 0.501 60 K N 1.271 121.870 120.400 0.331 0.000 2.185 60 K HA 0.846 5.167 4.320 0.000 0.000 0.240 60 K C -0.146 176.716 176.600 0.436 0.000 0.983 60 K CA -0.599 55.915 56.287 0.379 0.000 0.873 60 K CB 1.716 34.414 32.500 0.329 0.000 1.118 60 K HN 0.742 nan 8.250 nan 0.000 0.441 61 G N 0.299 109.290 108.800 0.319 0.000 2.649 61 G HA2 0.550 4.510 3.960 0.000 0.000 0.290 61 G HA3 0.550 4.510 3.960 0.000 0.000 0.290 61 G C -1.908 172.990 174.900 -0.004 0.000 1.426 61 G CA -0.757 44.384 45.100 0.068 0.000 0.794 61 G HN 0.491 nan 8.290 nan 0.000 0.483 62 M N 0.834 120.339 119.600 -0.158 0.000 2.326 62 M HA 0.543 5.023 4.480 0.000 0.000 0.306 62 M C -0.632 175.651 176.300 -0.029 0.000 1.054 62 M CA -0.594 54.693 55.300 -0.021 0.000 0.922 62 M CB 1.949 34.564 32.600 0.025 0.000 1.632 62 M HN 0.353 nan 8.290 nan 0.000 0.436 63 S N 5.684 121.382 115.700 -0.004 0.000 2.498 63 S HA 0.174 4.644 4.470 0.000 0.000 0.314 63 S C 0.647 175.248 174.600 0.002 0.000 1.141 63 S CA -0.667 57.527 58.200 -0.011 0.000 1.087 63 S CB 0.228 63.419 63.200 -0.015 0.000 1.178 63 S HN 0.608 nan 8.310 nan 0.000 0.533 64 L N 2.372 123.593 121.223 -0.004 0.000 2.286 64 L HA 0.311 4.651 4.340 0.000 0.000 0.203 64 L C 0.406 177.280 176.870 0.007 0.000 1.068 64 L CA 1.103 55.946 54.840 0.006 0.000 0.811 64 L CB -0.977 41.078 42.059 -0.008 0.000 0.989 64 L HN 0.391 nan 8.230 nan 0.000 0.467 65 N N 0.230 118.929 118.700 -0.001 0.000 2.469 65 N HA 0.353 5.093 4.740 0.000 0.000 0.253 65 N C -0.853 174.656 175.510 -0.001 0.000 0.970 65 N CA 0.009 53.059 53.050 0.001 0.000 0.940 65 N CB 1.053 39.538 38.487 -0.003 0.000 1.128 65 N HN -0.047 nan 8.380 nan 0.000 0.503 66 L N 2.384 123.607 121.223 0.000 0.000 2.287 66 L HA 0.372 4.712 4.340 0.000 0.000 0.280 66 L C 0.219 177.087 176.870 -0.002 0.000 1.055 66 L CA -0.287 54.551 54.840 -0.004 0.000 0.863 66 L CB 0.306 42.362 42.059 -0.005 0.000 1.245 66 L HN 0.397 nan 8.230 nan 0.000 0.432 67 E N 3.489 123.687 120.200 -0.002 0.000 2.227 67 E HA 0.277 4.627 4.350 0.000 0.000 0.268 67 E C -1.549 175.051 176.600 -0.000 0.000 0.990 67 E CA -1.841 54.560 56.400 0.001 0.000 0.856 67 E CB 1.492 31.195 29.700 0.005 0.000 1.159 67 E HN 0.241 nan 8.360 nan 0.000 0.401 68 P HA -0.221 nan 4.420 nan 0.000 0.217 68 P C 0.350 177.653 177.300 0.006 0.000 1.148 68 P CA 1.570 64.671 63.100 0.002 0.000 0.834 68 P CB 0.164 31.867 31.700 0.006 0.000 0.783 69 D N -2.701 117.709 120.400 0.017 0.000 2.520 69 D HA 0.054 4.694 4.640 0.000 0.000 0.223 69 D C 0.082 176.413 176.300 0.052 0.000 1.186 69 D CA -0.150 53.873 54.000 0.040 0.000 0.821 69 D CB -0.388 40.443 40.800 0.052 0.000 1.072 69 D HN 0.343 nan 8.370 nan 0.000 0.518 70 N N -1.172 117.542 118.700 0.024 0.000 2.823 70 N HA 0.412 5.152 4.740 0.000 0.000 0.251 70 N C -1.912 173.600 175.510 0.003 0.000 1.392 70 N CA -0.909 52.157 53.050 0.025 0.000 0.864 70 N CB 1.920 40.432 38.487 0.042 0.000 1.481 70 N HN -0.212 nan 8.380 nan 0.000 0.508 71 V N -0.047 119.866 119.914 -0.000 0.000 2.459 71 V HA 0.758 4.878 4.120 0.000 0.000 0.295 71 V C 0.531 176.627 176.094 0.004 0.000 1.029 71 V CA -0.628 61.667 62.300 -0.008 0.000 0.874 71 V CB 1.355 33.162 31.823 -0.026 0.000 0.985 71 V HN 0.881 nan 8.190 nan 0.000 0.438 72 G N 3.618 112.418 108.800 0.000 0.000 2.356 72 G HA2 0.533 4.493 3.960 0.000 0.000 0.312 72 G HA3 0.533 4.493 3.960 0.000 0.000 0.312 72 G C -0.727 174.171 174.900 -0.003 0.000 1.096 72 G CA -0.205 44.896 45.100 0.001 0.000 0.950 72 G HN 0.519 nan 8.290 nan 0.000 0.428 73 V N 3.274 123.199 119.914 0.017 0.000 2.435 73 V HA 0.310 4.430 4.120 0.000 0.000 0.290 73 V C 0.105 176.196 176.094 -0.005 0.000 1.030 73 V CA -0.798 61.513 62.300 0.018 0.000 0.881 73 V CB 1.877 33.743 31.823 0.073 0.000 0.983 73 V HN 0.436 nan 8.190 nan 0.000 0.445 74 V N 5.875 125.733 119.914 -0.093 0.000 2.406 74 V HA 0.295 4.415 4.120 0.000 0.000 0.272 74 V C 0.071 175.979 176.094 -0.309 0.000 1.043 74 V CA -0.245 61.941 62.300 -0.189 0.000 0.915 74 V CB 1.848 33.532 31.823 -0.232 0.000 0.988 74 V HN 0.665 nan 8.190 nan 0.000 0.466 75 V N 6.324 126.106 119.914 -0.219 0.000 2.583 75 V HA 0.269 4.389 4.120 0.000 0.000 0.287 75 V C 0.215 176.180 176.094 -0.215 0.000 1.051 75 V CA -0.264 61.918 62.300 -0.198 0.000 1.010 75 V CB 1.018 32.726 31.823 -0.190 0.000 0.988 75 V HN 0.725 nan 8.190 nan 0.000 0.478 76 F N 3.580 123.582 119.950 0.087 0.000 2.949 76 F HA 0.621 5.148 4.527 0.000 0.000 0.291 76 F C 1.069 176.898 175.800 0.048 0.000 1.214 76 F CA 0.068 58.114 58.000 0.078 0.000 1.381 76 F CB 0.018 39.076 39.000 0.097 0.000 1.066 76 F HN 0.729 nan 8.300 nan 0.000 0.520 77 G N -0.298 108.587 108.800 0.141 0.000 2.393 77 G HA2 0.031 3.991 3.960 0.000 0.000 0.264 77 G HA3 0.031 3.991 3.960 0.000 0.000 0.264 77 G C -1.453 173.458 174.900 0.017 0.000 1.221 77 G CA -0.969 44.181 45.100 0.084 0.000 0.912 77 G HN -0.074 nan 8.290 nan 0.000 0.483 78 N N 1.744 120.443 118.700 -0.001 0.000 2.405 78 N HA 0.131 4.871 4.740 0.000 0.000 0.260 78 N C 0.947 176.414 175.510 -0.072 0.000 1.152 78 N CA 0.229 53.264 53.050 -0.025 0.000 0.948 78 N CB 1.225 39.704 38.487 -0.013 0.000 1.111 78 N HN 0.557 nan 8.380 nan 0.000 0.485 79 D N 4.020 124.364 120.400 -0.094 0.000 2.350 79 D HA -0.211 4.429 4.640 0.000 0.000 0.216 79 D C 1.277 177.507 176.300 -0.115 0.000 0.968 79 D CA 0.730 54.641 54.000 -0.148 0.000 0.894 79 D CB -0.028 40.689 40.800 -0.139 0.000 0.909 79 D HN 0.739 nan 8.370 nan 0.000 0.520 80 K N 0.963 121.320 120.400 -0.072 0.000 2.286 80 K HA -0.167 4.153 4.320 0.000 0.000 0.203 80 K C 2.076 178.643 176.600 -0.054 0.000 1.045 80 K CA 0.880 57.136 56.287 -0.052 0.000 0.935 80 K CB -0.434 32.047 32.500 -0.032 0.000 0.737 80 K HN 0.234 nan 8.250 nan 0.000 0.460 81 L N 1.067 122.249 121.223 -0.069 0.000 2.240 81 L HA 0.143 4.483 4.340 0.000 0.000 0.211 81 L C 1.131 177.960 176.870 -0.067 0.000 1.106 81 L CA 0.083 54.890 54.840 -0.055 0.000 0.793 81 L CB 0.007 42.037 42.059 -0.048 0.000 0.927 81 L HN 0.144 nan 8.230 nan 0.000 0.446 82 I N 0.981 121.474 120.570 -0.127 0.000 2.496 82 I HA 0.057 4.227 4.170 0.000 0.000 0.285 82 I C -0.034 176.049 176.117 -0.056 0.000 1.080 82 I CA 0.304 61.525 61.300 -0.131 0.000 1.404 82 I CB 0.463 38.275 38.000 -0.314 0.000 1.403 82 I HN 0.069 nan 8.210 nan 0.000 0.539 83 K N 5.400 125.797 120.400 -0.004 0.000 2.395 83 K HA 0.375 4.695 4.320 0.000 0.000 0.247 83 K C -0.557 176.062 176.600 0.031 0.000 0.973 83 K CA -0.993 55.298 56.287 0.008 0.000 0.828 83 K CB 2.129 34.634 32.500 0.010 0.000 1.272 83 K HN 0.497 nan 8.250 nan 0.000 0.439 84 E N 0.086 120.300 120.200 0.023 0.000 2.508 84 E HA -0.126 4.224 4.350 0.000 0.000 0.266 84 E C 0.756 177.377 176.600 0.036 0.000 1.010 84 E CA 1.824 58.242 56.400 0.030 0.000 0.955 84 E CB 0.229 29.938 29.700 0.014 0.000 0.946 84 E HN 0.799 nan 8.360 nan 0.000 0.454 85 G N 3.785 112.612 108.800 0.044 0.000 2.347 85 G HA2 -0.283 3.678 3.960 0.000 0.000 0.247 85 G HA3 -0.283 3.678 3.960 0.000 0.000 0.247 85 G C -0.003 174.933 174.900 0.060 0.000 1.037 85 G CA 0.344 45.470 45.100 0.043 0.000 0.622 85 G HN 0.669 nan 8.290 nan 0.000 0.521 86 D N 0.934 121.380 120.400 0.077 0.000 2.515 86 D HA 0.300 4.940 4.640 0.000 0.000 0.232 86 D C 0.828 177.185 176.300 0.094 0.000 1.157 86 D CA 0.161 54.220 54.000 0.099 0.000 0.871 86 D CB 0.363 41.253 40.800 0.149 0.000 1.200 86 D HN 0.186 nan 8.370 nan 0.000 0.466 87 I N 1.737 122.350 120.570 0.073 0.000 2.441 87 I HA 0.093 4.263 4.170 0.000 0.000 0.287 87 I C 0.094 176.209 176.117 -0.003 0.000 1.049 87 I CA -0.323 60.997 61.300 0.033 0.000 1.381 87 I CB 1.000 39.014 38.000 0.023 0.000 1.409 87 I HN 0.002 nan 8.210 nan 0.000 0.523 88 V N 7.180 127.046 119.914 -0.081 0.000 2.495 88 V HA 0.488 4.608 4.120 0.000 0.000 0.298 88 V C -0.025 175.962 176.094 -0.178 0.000 1.031 88 V CA -1.009 61.143 62.300 -0.246 0.000 0.871 88 V CB 1.603 33.177 31.823 -0.415 0.000 0.988 88 V HN 0.602 nan 8.190 nan 0.000 0.432 89 K N 3.529 123.827 120.400 -0.170 0.000 2.203 89 K HA 0.639 4.959 4.320 0.000 0.000 0.251 89 K C -0.392 176.145 176.600 -0.106 0.000 0.944 89 K CA -0.957 55.267 56.287 -0.105 0.000 0.829 89 K CB 2.360 34.824 32.500 -0.060 0.000 1.125 89 K HN 0.511 nan 8.250 nan 0.000 0.430 90 R N 0.321 120.777 120.500 -0.075 0.000 2.694 90 R HA 0.037 4.377 4.340 0.000 0.000 0.268 90 R C 0.645 176.924 176.300 -0.036 0.000 1.061 90 R CA 0.267 56.334 56.100 -0.056 0.000 1.133 90 R CB 0.561 30.835 30.300 -0.042 0.000 1.020 90 R HN 0.645 nan 8.270 nan 0.000 0.475 91 T N -0.031 114.509 114.554 -0.023 0.000 3.018 91 T HA 0.128 4.478 4.350 0.000 0.000 0.246 91 T C 1.149 175.847 174.700 -0.005 0.000 1.026 91 T CA 0.727 62.823 62.100 -0.007 0.000 1.081 91 T CB 0.310 69.181 68.868 0.006 0.000 0.970 91 T HN 0.920 nan 8.240 nan 0.000 0.475 92 G N 1.513 110.309 108.800 -0.007 0.000 2.179 92 G HA2 -0.115 3.845 3.960 0.000 0.000 0.260 92 G HA3 -0.115 3.845 3.960 0.000 0.000 0.260 92 G C 0.178 175.080 174.900 0.002 0.000 0.977 92 G CA 0.157 45.254 45.100 -0.004 0.000 0.641 92 G HN 0.924 nan 8.290 nan 0.000 0.533 93 A N 0.723 123.547 122.820 0.007 0.000 2.330 93 A HA 0.769 5.089 4.320 0.000 0.000 0.327 93 A C 0.423 178.020 177.584 0.021 0.000 1.155 93 A CA -0.720 51.325 52.037 0.012 0.000 0.803 93 A CB 0.873 19.881 19.000 0.013 0.000 1.208 93 A HN 0.500 nan 8.150 nan 0.000 0.477 94 I N 2.138 122.720 120.570 0.020 0.000 2.754 94 I HA 0.028 4.198 4.170 0.000 0.000 0.285 94 I C 0.722 176.860 176.117 0.035 0.000 1.166 94 I CA 0.063 61.380 61.300 0.028 0.000 1.417 94 I CB 0.678 38.689 38.000 0.019 0.000 1.382 94 I HN 0.369 nan 8.210 nan 0.000 0.588 95 V N 6.246 126.194 119.914 0.057 0.000 2.644 95 V HA -0.041 4.079 4.120 0.000 0.000 0.305 95 V C 0.242 176.348 176.094 0.020 0.000 1.053 95 V CA 0.396 62.732 62.300 0.061 0.000 1.186 95 V CB -0.163 31.730 31.823 0.116 0.000 0.895 95 V HN 0.941 nan 8.190 nan 0.000 0.490 96 D N 3.596 123.998 120.400 0.003 0.000 2.596 96 D HA 0.693 5.333 4.640 0.000 0.000 0.262 96 D C -0.784 175.500 176.300 -0.028 0.000 1.210 96 D CA -0.543 53.451 54.000 -0.010 0.000 0.873 96 D CB 2.179 42.975 40.800 -0.006 0.000 1.408 96 D HN 0.529 nan 8.370 nan 0.000 0.441 97 V N -4.847 115.048 119.914 -0.031 0.000 3.078 97 V HA 0.729 4.849 4.120 0.000 0.000 0.311 97 V C -2.911 173.153 176.094 -0.049 0.000 1.138 97 V CA -2.303 59.971 62.300 -0.044 0.000 1.007 97 V CB 1.801 33.598 31.823 -0.044 0.000 1.045 97 V HN 0.547 nan 8.190 nan 0.000 0.432 98 P HA 0.285 nan 4.420 nan 0.000 0.266 98 P C -0.695 176.540 177.300 -0.109 0.000 1.195 98 P CA 0.316 63.369 63.100 -0.078 0.000 0.768 98 P CB 1.082 32.739 31.700 -0.070 0.000 0.838 99 V N 1.450 121.261 119.914 -0.173 0.000 3.188 99 V HA 0.880 5.000 4.120 0.000 0.000 0.305 99 V C 0.384 176.159 176.094 -0.533 0.000 1.232 99 V CA 0.200 62.334 62.300 -0.278 0.000 1.043 99 V CB 1.957 33.655 31.823 -0.207 0.000 1.068 99 V HN 1.052 nan 8.190 nan 0.000 0.439 100 G N 1.399 109.661 108.800 -0.898 0.000 2.343 100 G HA2 0.006 3.966 3.960 0.000 0.000 0.465 100 G HA3 0.006 3.966 3.960 0.000 0.000 0.465 100 G C -0.119 174.364 174.900 -0.694 0.000 1.282 100 G CA -0.004 44.278 45.100 -1.362 0.000 0.996 100 G HN 0.633 nan 8.290 nan 0.000 0.521 101 E N -0.125 119.814 120.200 -0.435 0.000 2.427 101 E HA 0.020 4.370 4.350 0.000 0.000 0.196 101 E C 1.770 178.352 176.600 -0.030 0.000 1.028 101 E CA 0.971 57.322 56.400 -0.081 0.000 0.864 101 E CB 0.107 29.826 29.700 0.031 0.000 0.813 101 E HN 0.516 nan 8.360 nan 0.000 0.514 102 E N 0.293 120.436 120.200 -0.096 0.000 2.409 102 E HA -0.115 4.235 4.350 0.000 0.000 0.198 102 E C 1.423 178.006 176.600 -0.028 0.000 1.024 102 E CA 0.528 56.897 56.400 -0.050 0.000 0.861 102 E CB 0.013 29.671 29.700 -0.071 0.000 0.788 102 E HN 0.259 nan 8.360 nan 0.000 0.521 103 L N -0.185 121.021 121.223 -0.029 0.000 2.446 103 L HA 0.108 4.449 4.340 0.000 0.000 0.219 103 L C 0.547 177.454 176.870 0.061 0.000 1.116 103 L CA -0.163 54.681 54.840 0.008 0.000 0.844 103 L CB -0.047 42.011 42.059 -0.001 0.000 0.970 103 L HN 0.081 nan 8.230 nan 0.000 0.457 104 L N 0.469 121.753 121.223 0.102 0.000 2.514 104 L HA 0.086 4.426 4.340 0.000 0.000 0.280 104 L C 1.430 178.350 176.870 0.085 0.000 1.223 104 L CA 0.880 55.805 54.840 0.141 0.000 0.864 104 L CB 0.169 42.355 42.059 0.212 0.000 1.118 104 L HN 0.360 nan 8.230 nan 0.000 0.494 105 G N 2.037 110.871 108.800 0.058 0.000 2.162 105 G HA2 -0.241 3.719 3.960 0.000 0.000 0.260 105 G HA3 -0.241 3.719 3.960 0.000 0.000 0.260 105 G C 0.312 175.218 174.900 0.010 0.000 0.976 105 G CA -0.049 45.063 45.100 0.019 0.000 0.655 105 G HN 0.580 nan 8.290 nan 0.000 0.533 106 R N -1.042 119.470 120.500 0.020 0.000 2.888 106 R HA 0.674 5.014 4.340 0.000 0.000 0.266 106 R C -0.833 175.478 176.300 0.018 0.000 1.020 106 R CA -0.810 55.298 56.100 0.014 0.000 0.963 106 R CB 2.211 32.519 30.300 0.014 0.000 1.197 106 R HN 0.132 nan 8.270 nan 0.000 0.481 107 V N 2.316 122.239 119.914 0.014 0.000 2.357 107 V HA 0.384 4.504 4.120 0.000 0.000 0.284 107 V C 0.127 176.232 176.094 0.019 0.000 1.018 107 V CA -0.683 61.630 62.300 0.021 0.000 0.841 107 V CB 1.245 33.078 31.823 0.018 0.000 0.991 107 V HN 0.606 nan 8.190 nan 0.000 0.437 108 V N 1.244 121.171 119.914 0.023 0.000 3.126 108 V HA 0.862 4.982 4.120 0.000 0.000 0.314 108 V C -0.509 175.594 176.094 0.015 0.000 1.138 108 V CA -0.868 61.440 62.300 0.013 0.000 1.034 108 V CB 2.188 34.014 31.823 0.005 0.000 1.075 108 V HN 0.785 nan 8.190 nan 0.000 0.442 109 D N 1.385 121.788 120.400 0.005 0.000 2.506 109 D HA 0.575 5.215 4.640 0.000 0.000 0.272 109 D C 1.106 177.398 176.300 -0.013 0.000 1.214 109 D CA -0.062 53.940 54.000 0.004 0.000 1.067 109 D CB 1.216 42.019 40.800 0.005 0.000 1.117 109 D HN 0.827 nan 8.370 nan 0.000 0.578 110 A N -0.646 122.161 122.820 -0.022 0.000 2.125 110 A HA -0.026 4.295 4.320 0.000 0.000 0.219 110 A C 2.080 179.603 177.584 -0.102 0.000 1.156 110 A CA 0.830 52.838 52.037 -0.048 0.000 0.671 110 A CB -0.837 18.139 19.000 -0.041 0.000 0.794 110 A HN 0.538 nan 8.150 nan 0.000 0.459 111 L N -2.022 119.133 121.223 -0.114 0.000 2.567 111 L HA 0.252 4.592 4.340 0.000 0.000 0.225 111 L C 1.774 178.597 176.870 -0.078 0.000 1.119 111 L CA 0.590 55.346 54.840 -0.140 0.000 0.871 111 L CB 0.100 42.062 42.059 -0.161 0.000 1.036 111 L HN 0.539 nan 8.230 nan 0.000 0.459 112 G N -0.674 108.096 108.800 -0.050 0.000 2.232 112 G HA2 -0.244 3.716 3.960 0.000 0.000 0.226 112 G HA3 -0.244 3.716 3.960 0.000 0.000 0.226 112 G C 0.186 175.071 174.900 -0.026 0.000 0.996 112 G CA -0.406 44.673 45.100 -0.036 0.000 0.626 112 G HN 0.327 nan 8.290 nan 0.000 0.509 113 N N 1.807 120.493 118.700 -0.023 0.000 2.458 113 N HA 0.441 5.181 4.740 0.000 0.000 0.258 113 N C 0.747 176.253 175.510 -0.005 0.000 1.219 113 N CA 0.817 53.859 53.050 -0.012 0.000 0.902 113 N CB 0.981 39.465 38.487 -0.005 0.000 1.076 113 N HN 0.881 nan 8.380 nan 0.000 0.455 114 A N 2.018 124.836 122.820 -0.003 0.000 2.498 114 A HA 0.209 4.530 4.320 0.000 0.000 0.239 114 A C 1.308 178.895 177.584 0.006 0.000 1.068 114 A CA -0.075 51.963 52.037 0.001 0.000 0.766 114 A CB -0.345 18.656 19.000 0.000 0.000 1.003 114 A HN 0.832 nan 8.150 nan 0.000 0.497 115 I N -1.457 119.119 120.570 0.009 0.000 4.310 115 I HA 0.250 4.420 4.170 0.000 0.000 0.328 115 I C 0.152 176.275 176.117 0.010 0.000 1.406 115 I CA -0.030 61.277 61.300 0.012 0.000 1.174 115 I CB 0.541 38.551 38.000 0.016 0.000 1.279 115 I HN 0.439 nan 8.210 nan 0.000 0.471 116 D N 1.249 121.654 120.400 0.007 0.000 2.328 116 D HA 0.167 4.807 4.640 0.000 0.000 0.221 116 D C 1.688 177.989 176.300 0.003 0.000 1.072 116 D CA 0.506 54.509 54.000 0.004 0.000 0.850 116 D CB 0.144 40.946 40.800 0.002 0.000 0.922 116 D HN 0.452 nan 8.370 nan 0.000 0.516 117 G N 0.976 109.778 108.800 0.004 0.000 2.175 117 G HA2 -0.393 3.567 3.960 0.000 0.000 0.265 117 G HA3 -0.393 3.567 3.960 0.000 0.000 0.265 117 G C 0.830 175.731 174.900 0.002 0.000 0.979 117 G CA 0.484 45.585 45.100 0.003 0.000 0.663 117 G HN 0.468 nan 8.290 nan 0.000 0.533 118 K N 0.656 121.057 120.400 0.001 0.000 2.520 118 K HA 0.442 4.762 4.320 0.000 0.000 0.205 118 K C 1.408 178.008 176.600 0.001 0.000 1.035 118 K CA 0.375 56.663 56.287 0.001 0.000 1.188 118 K CB 0.060 32.560 32.500 0.000 0.000 0.894 118 K HN 1.364 nan 8.250 nan 0.000 0.497 119 G N 2.377 111.178 108.800 0.001 0.000 2.796 119 G HA2 -0.204 3.756 3.960 0.000 0.000 0.571 119 G HA3 -0.204 3.756 3.960 0.000 0.000 0.571 119 G C -2.655 172.244 174.900 -0.001 0.000 1.370 119 G CA -1.303 43.797 45.100 0.000 0.000 0.856 119 G HN 0.031 nan 8.290 nan 0.000 0.538 120 P HA 0.306 nan 4.420 nan 0.000 0.267 120 P C 0.358 177.653 177.300 -0.009 0.000 1.201 120 P CA -0.240 62.856 63.100 -0.006 0.000 0.775 120 P CB 0.320 32.016 31.700 -0.006 0.000 0.854 121 I N 1.529 122.091 120.570 -0.014 0.000 2.342 121 I HA 0.150 4.320 4.170 0.000 0.000 0.291 121 I C 1.464 177.565 176.117 -0.028 0.000 1.010 121 I CA 0.115 61.402 61.300 -0.021 0.000 1.308 121 I CB 0.590 38.574 38.000 -0.028 0.000 1.400 121 I HN 0.466 nan 8.210 nan 0.000 0.488 122 G N 4.735 113.518 108.800 -0.029 0.000 3.574 122 G HA2 0.101 4.061 3.960 0.000 0.000 0.262 122 G HA3 0.101 4.061 3.960 0.000 0.000 0.262 122 G C 0.523 175.393 174.900 -0.050 0.000 1.231 122 G CA -0.170 44.911 45.100 -0.032 0.000 1.608 122 G HN 0.555 nan 8.290 nan 0.000 0.628 123 S N -0.326 115.335 115.700 -0.064 0.000 2.562 123 S HA 0.155 4.625 4.470 0.000 0.000 0.281 123 S C 1.225 175.777 174.600 -0.080 0.000 1.333 123 S CA 0.018 58.160 58.200 -0.096 0.000 1.052 123 S CB 1.128 64.260 63.200 -0.113 0.000 0.884 123 S HN 0.531 nan 8.310 nan 0.000 0.506 124 K N 1.045 121.388 120.400 -0.095 0.000 2.355 124 K HA 0.364 4.684 4.320 0.000 0.000 0.198 124 K C 0.142 176.702 176.600 -0.066 0.000 1.039 124 K CA -0.010 56.238 56.287 -0.065 0.000 1.075 124 K CB 0.759 33.229 32.500 -0.051 0.000 0.870 124 K HN 0.543 nan 8.250 nan 0.000 0.540 125 A N 1.347 124.107 122.820 -0.100 0.000 2.515 125 A HA 0.728 5.048 4.320 0.000 0.000 0.296 125 A C -1.110 176.419 177.584 -0.092 0.000 1.094 125 A CA -0.839 51.148 52.037 -0.084 0.000 0.718 125 A CB 1.346 20.297 19.000 -0.082 0.000 1.307 125 A HN 0.076 nan 8.150 nan 0.000 0.408 126 R N -0.145 120.321 120.500 -0.057 0.000 2.837 126 R HA 0.774 5.114 4.340 0.000 0.000 0.271 126 R C -0.785 175.498 176.300 -0.027 0.000 0.993 126 R CA -0.830 55.241 56.100 -0.048 0.000 0.931 126 R CB 2.685 32.964 30.300 -0.034 0.000 1.206 126 R HN 0.759 nan 8.270 nan 0.000 0.474 127 R N 0.869 121.356 120.500 -0.022 0.000 2.651 127 R HA 0.337 4.677 4.340 0.000 0.000 0.278 127 R C -0.940 175.360 176.300 0.001 0.000 1.010 127 R CA -0.835 55.264 56.100 -0.002 0.000 0.896 127 R CB 1.971 32.276 30.300 0.009 0.000 1.211 127 R HN 0.516 nan 8.270 nan 0.000 0.456 128 R N 1.616 122.119 120.500 0.006 0.000 2.537 128 R HA 0.029 4.369 4.340 0.000 0.000 0.280 128 R C 1.424 177.727 176.300 0.004 0.000 1.058 128 R CA 0.084 56.186 56.100 0.003 0.000 1.057 128 R CB 0.909 31.211 30.300 0.003 0.000 0.973 128 R HN 0.536 nan 8.270 nan 0.000 0.438 129 V N 0.828 120.740 119.914 -0.004 0.000 2.871 129 V HA 0.055 4.175 4.120 0.000 0.000 0.256 129 V C 1.386 177.457 176.094 -0.037 0.000 1.082 129 V CA 1.715 64.018 62.300 0.005 0.000 1.105 129 V CB -0.104 31.724 31.823 0.008 0.000 0.713 129 V HN 0.881 nan 8.190 nan 0.000 0.473 130 G N 0.068 108.824 108.800 -0.073 0.000 3.042 130 G HA2 0.265 4.225 3.960 0.000 0.000 0.212 130 G HA3 0.265 4.225 3.960 0.000 0.000 0.212 130 G C 0.573 175.437 174.900 -0.061 0.000 1.166 130 G CA -0.444 44.583 45.100 -0.122 0.000 0.767 130 G HN 0.478 nan 8.290 nan 0.000 0.546 131 L N 0.833 122.045 121.223 -0.019 0.000 2.593 131 L HA 0.038 4.378 4.340 0.000 0.000 0.287 131 L C 0.911 177.783 176.870 0.003 0.000 1.243 131 L CA -0.023 54.818 54.840 0.001 0.000 0.890 131 L CB 0.411 42.480 42.059 0.017 0.000 1.134 131 L HN 0.086 nan 8.230 nan 0.000 0.502 132 K N 2.687 123.093 120.400 0.010 0.000 2.295 132 K HA 0.354 4.675 4.320 0.000 0.000 0.270 132 K C -0.060 176.549 176.600 0.015 0.000 1.011 132 K CA -0.208 56.089 56.287 0.017 0.000 0.953 132 K CB 0.957 33.472 32.500 0.025 0.000 0.956 132 K HN 0.623 nan 8.250 nan 0.000 0.477 133 A N 4.948 127.776 122.820 0.014 0.000 2.445 133 A HA 0.292 4.612 4.320 0.000 0.000 0.242 133 A C -2.128 175.448 177.584 -0.013 0.000 1.075 133 A CA -1.202 50.838 52.037 0.004 0.000 0.777 133 A CB -0.526 18.477 19.000 0.005 0.000 1.013 133 A HN 0.668 nan 8.150 nan 0.000 0.493 134 P HA 0.148 nan 4.420 nan 0.000 0.264 134 P C 0.789 178.040 177.300 -0.081 0.000 1.183 134 P CA 0.704 63.750 63.100 -0.091 0.000 0.763 134 P CB 0.401 32.006 31.700 -0.159 0.000 0.807 135 G N 1.739 110.489 108.800 -0.082 0.000 2.481 135 G HA2 0.092 4.052 3.960 0.000 0.000 0.251 135 G HA3 0.092 4.052 3.960 0.000 0.000 0.251 135 G C 1.109 175.965 174.900 -0.072 0.000 1.492 135 G CA -0.515 44.552 45.100 -0.054 0.000 1.060 135 G HN 0.422 nan 8.290 nan 0.000 0.553 136 I N 0.013 120.555 120.570 -0.047 0.000 2.233 136 I HA -0.094 4.076 4.170 0.000 0.000 0.243 136 I C 2.607 178.687 176.117 -0.061 0.000 1.093 136 I CA 0.502 61.776 61.300 -0.043 0.000 1.380 136 I CB -0.169 37.821 38.000 -0.017 0.000 1.067 136 I HN 0.221 nan 8.210 nan 0.000 0.413 137 I N 1.292 121.829 120.570 -0.056 0.000 2.163 137 I HA -0.164 4.006 4.170 0.000 0.000 0.243 137 I C -0.178 175.869 176.117 -0.117 0.000 1.085 137 I CA 1.860 63.137 61.300 -0.038 0.000 1.347 137 I CB -2.845 35.170 38.000 0.025 0.000 1.044 137 I HN 0.167 nan 8.210 nan 0.000 0.408 138 P HA -0.087 nan 4.420 nan 0.000 0.225 138 P C 0.651 177.674 177.300 -0.461 0.000 1.148 138 P CA 1.137 63.712 63.100 -0.876 0.000 0.779 138 P CB 0.027 30.834 31.700 -1.489 0.000 0.780 139 R N -0.601 119.763 120.500 -0.226 0.000 2.606 139 R HA 0.700 5.040 4.340 0.000 0.000 0.249 139 R C -0.250 176.021 176.300 -0.048 0.000 1.127 139 R CA -0.886 55.143 56.100 -0.118 0.000 1.133 139 R CB 0.711 30.960 30.300 -0.086 0.000 1.243 139 R HN -0.067 nan 8.270 nan 0.000 0.558 140 I N -0.819 119.738 120.570 -0.022 0.000 2.787 140 I HA 0.123 4.293 4.170 0.000 0.000 0.294 140 I C -0.873 175.242 176.117 -0.004 0.000 1.365 140 I CA -0.121 61.177 61.300 -0.003 0.000 1.029 140 I CB 2.408 40.417 38.000 0.014 0.000 1.313 140 I HN 0.533 nan 8.210 nan 0.000 0.431 141 S N 3.813 119.511 115.700 -0.004 0.000 2.561 141 S HA 0.125 4.595 4.470 0.000 0.000 0.294 141 S C -0.179 174.416 174.600 -0.009 0.000 1.294 141 S CA -0.471 57.725 58.200 -0.006 0.000 1.055 141 S CB 0.276 63.473 63.200 -0.005 0.000 0.819 141 S HN 0.434 nan 8.310 nan 0.000 0.503 142 V N 4.342 124.249 119.914 -0.012 0.000 2.529 142 V HA 0.127 4.247 4.120 0.000 0.000 0.292 142 V C 1.071 177.149 176.094 -0.027 0.000 1.028 142 V CA 0.676 62.964 62.300 -0.021 0.000 1.074 142 V CB 0.449 32.260 31.823 -0.020 0.000 0.958 142 V HN 0.880 nan 8.190 nan 0.000 0.481 143 R N 1.657 122.134 120.500 -0.040 0.000 2.676 143 R HA 0.200 4.540 4.340 0.000 0.000 0.241 143 R C -0.091 176.169 176.300 -0.066 0.000 0.964 143 R CA -0.304 55.771 56.100 -0.042 0.000 1.054 143 R CB 0.644 30.925 30.300 -0.031 0.000 1.603 143 R HN 0.697 nan 8.270 nan 0.000 0.577 144 E N 3.300 123.443 120.200 -0.096 0.000 2.200 144 E HA 0.210 4.560 4.350 0.000 0.000 0.283 144 E C -2.487 174.023 176.600 -0.150 0.000 1.015 144 E CA -2.351 53.963 56.400 -0.143 0.000 0.819 144 E CB 0.845 30.416 29.700 -0.216 0.000 1.081 144 E HN -0.110 nan 8.360 nan 0.000 0.397 145 P HA -0.065 nan 4.420 nan 0.000 0.266 145 P C -0.592 176.606 177.300 -0.170 0.000 1.195 145 P CA 0.053 63.078 63.100 -0.125 0.000 0.768 145 P CB 0.447 32.083 31.700 -0.106 0.000 0.838 146 M N 3.324 122.852 119.600 -0.120 0.000 2.065 146 M HA 0.149 4.629 4.480 0.000 0.000 0.308 146 M C -0.693 175.582 176.300 -0.042 0.000 0.939 146 M CA -0.538 54.696 55.300 -0.110 0.000 0.890 146 M CB 0.188 32.740 32.600 -0.080 0.000 1.383 146 M HN 0.279 nan 8.290 nan 0.000 0.381 147 Q N 2.091 121.879 119.800 -0.019 0.000 2.297 147 Q HA 0.179 4.519 4.340 0.000 0.000 0.267 147 Q C 1.191 177.249 176.000 0.097 0.000 1.006 147 Q CA 0.288 56.131 55.803 0.066 0.000 0.896 147 Q CB 0.882 29.713 28.738 0.156 0.000 1.186 147 Q HN 0.755 nan 8.270 nan 0.000 0.392 148 T N -1.567 113.024 114.554 0.060 0.000 3.044 148 T HA 0.158 4.508 4.350 0.000 0.000 0.255 148 T C 1.233 175.961 174.700 0.046 0.000 1.073 148 T CA 0.563 62.693 62.100 0.051 0.000 1.125 148 T CB 0.175 69.061 68.868 0.031 0.000 0.908 148 T HN 0.815 nan 8.240 nan 0.000 0.480 149 G N 1.417 110.245 108.800 0.046 0.000 2.176 149 G HA2 -0.198 3.762 3.960 0.000 0.000 0.253 149 G HA3 -0.198 3.762 3.960 0.000 0.000 0.253 149 G C -0.010 174.898 174.900 0.014 0.000 0.979 149 G CA 0.061 45.177 45.100 0.027 0.000 0.641 149 G HN 0.647 nan 8.290 nan 0.000 0.530 150 I N 1.180 121.759 120.570 0.014 0.000 2.304 150 I HA 0.263 4.433 4.170 0.000 0.000 0.291 150 I C 1.587 177.710 176.117 0.010 0.000 1.018 150 I CA -0.717 60.586 61.300 0.005 0.000 1.260 150 I CB 1.270 39.270 38.000 0.000 0.000 1.390 150 I HN 0.031 nan 8.210 nan 0.000 0.475 151 K N 4.647 125.052 120.400 0.009 0.000 2.020 151 K HA -0.219 4.101 4.320 0.000 0.000 0.212 151 K C 2.079 178.687 176.600 0.013 0.000 1.050 151 K CA 1.764 58.060 56.287 0.015 0.000 0.929 151 K CB -0.266 32.245 32.500 0.017 0.000 0.714 151 K HN 0.778 nan 8.250 nan 0.000 0.443 152 A N 1.190 124.016 122.820 0.008 0.000 1.940 152 A HA -0.141 4.179 4.320 0.000 0.000 0.219 152 A C 2.435 180.027 177.584 0.014 0.000 1.176 152 A CA 1.599 53.642 52.037 0.010 0.000 0.631 152 A CB -0.685 18.318 19.000 0.006 0.000 0.814 152 A HN 0.099 nan 8.150 nan 0.000 0.446 153 V N 0.374 120.295 119.914 0.013 0.000 2.255 153 V HA -0.190 3.931 4.120 0.000 0.000 0.243 153 V C 2.096 178.199 176.094 0.015 0.000 1.038 153 V CA 2.197 64.507 62.300 0.016 0.000 1.008 153 V CB -0.801 31.031 31.823 0.015 0.000 0.645 153 V HN 0.476 nan 8.190 nan 0.000 0.449 154 D N 0.343 120.753 120.400 0.016 0.000 2.263 154 D HA -0.113 4.527 4.640 0.000 0.000 0.208 154 D C 2.317 178.626 176.300 0.015 0.000 0.971 154 D CA 1.683 55.692 54.000 0.016 0.000 0.867 154 D CB -0.084 40.729 40.800 0.021 0.000 0.929 154 D HN 0.621 nan 8.370 nan 0.000 0.492 155 S N -0.918 114.792 115.700 0.016 0.000 2.468 155 S HA 0.092 4.562 4.470 0.000 0.000 0.226 155 S C 1.983 176.591 174.600 0.013 0.000 1.051 155 S CA -0.060 58.149 58.200 0.015 0.000 0.943 155 S CB -0.182 63.028 63.200 0.016 0.000 0.810 155 S HN 0.177 nan 8.310 nan 0.000 0.509 156 L N 1.496 122.728 121.223 0.015 0.000 2.253 156 L HA 0.333 4.674 4.340 0.000 0.000 0.205 156 L C 0.654 177.535 176.870 0.018 0.000 1.078 156 L CA 0.300 55.150 54.840 0.017 0.000 0.805 156 L CB 0.212 42.284 42.059 0.022 0.000 0.963 156 L HN 0.394 nan 8.230 nan 0.000 0.459 157 V N -2.920 117.005 119.914 0.018 0.000 2.502 157 V HA 0.408 4.529 4.120 0.000 0.000 0.261 157 V C -2.718 173.384 176.094 0.013 0.000 0.996 157 V CA -1.750 60.561 62.300 0.018 0.000 1.095 157 V CB 0.017 31.856 31.823 0.027 0.000 1.325 157 V HN -0.094 nan 8.190 nan 0.000 0.574 158 P HA 0.285 nan 4.420 nan 0.000 0.266 158 P C -0.210 177.089 177.300 -0.002 0.000 1.195 158 P CA 0.498 63.600 63.100 0.002 0.000 0.768 158 P CB 1.424 33.123 31.700 -0.002 0.000 0.838 159 I N 1.428 121.994 120.570 -0.007 0.000 2.525 159 I HA 0.560 4.730 4.170 0.000 0.000 0.301 159 I C 1.076 177.175 176.117 -0.030 0.000 0.992 159 I CA -0.578 60.714 61.300 -0.013 0.000 1.162 159 I CB 2.035 40.030 38.000 -0.008 0.000 1.332 159 I HN 0.332 nan 8.210 nan 0.000 0.458 160 G N 3.466 112.245 108.800 -0.034 0.000 2.511 160 G HA2 0.584 4.544 3.960 0.000 0.000 0.318 160 G HA3 0.584 4.544 3.960 0.000 0.000 0.318 160 G C -0.790 174.073 174.900 -0.063 0.000 1.210 160 G CA -0.904 44.163 45.100 -0.055 0.000 0.969 160 G HN 0.511 nan 8.290 nan 0.000 0.484 161 R N -0.267 120.173 120.500 -0.099 0.000 2.370 161 R HA 0.428 4.768 4.340 0.000 0.000 0.309 161 R C 1.180 177.454 176.300 -0.044 0.000 1.059 161 R CA 1.329 57.369 56.100 -0.101 0.000 0.981 161 R CB 0.779 30.946 30.300 -0.222 0.000 0.972 161 R HN 1.100 nan 8.270 nan 0.000 0.437 162 G N 1.770 110.564 108.800 -0.010 0.000 2.218 162 G HA2 -0.280 3.680 3.960 0.000 0.000 0.216 162 G HA3 -0.280 3.680 3.960 0.000 0.000 0.216 162 G C 0.123 175.025 174.900 0.004 0.000 0.994 162 G CA -0.227 44.879 45.100 0.009 0.000 0.637 162 G HN 0.567 nan 8.290 nan 0.000 0.505 163 Q N 0.372 120.169 119.800 -0.005 0.000 2.306 163 Q HA 0.644 4.984 4.340 0.000 0.000 0.241 163 Q C -0.126 175.876 176.000 0.004 0.000 0.948 163 Q CA -0.516 55.285 55.803 -0.002 0.000 0.886 163 Q CB 0.442 29.175 28.738 -0.009 0.000 1.227 163 Q HN 0.288 nan 8.270 nan 0.000 0.457 164 R N 2.211 122.715 120.500 0.008 0.000 2.255 164 R HA 0.287 4.627 4.340 0.000 0.000 0.326 164 R C -1.248 175.057 176.300 0.008 0.000 0.986 164 R CA -0.432 55.675 56.100 0.012 0.000 0.847 164 R CB 1.437 31.745 30.300 0.015 0.000 1.111 164 R HN 0.522 nan 8.270 nan 0.000 0.452 165 E N 2.857 123.062 120.200 0.008 0.000 2.185 165 E HA 0.267 4.617 4.350 0.000 0.000 0.261 165 E C -1.250 175.357 176.600 0.012 0.000 0.879 165 E CA -0.929 55.478 56.400 0.010 0.000 0.756 165 E CB 0.871 30.578 29.700 0.010 0.000 1.152 165 E HN 0.367 nan 8.360 nan 0.000 0.416 166 L N 5.464 126.694 121.223 0.012 0.000 2.453 166 L HA 0.357 4.697 4.340 0.000 0.000 0.272 166 L C -0.887 176.001 176.870 0.029 0.000 1.182 166 L CA 0.418 55.265 54.840 0.011 0.000 0.858 166 L CB 0.496 42.556 42.059 0.002 0.000 1.120 166 L HN 0.654 nan 8.230 nan 0.000 0.474 167 I N 7.099 127.687 120.570 0.029 0.000 2.330 167 I HA 0.381 4.551 4.170 0.000 0.000 0.286 167 I C -0.340 175.813 176.117 0.059 0.000 1.025 167 I CA -0.108 61.218 61.300 0.043 0.000 1.197 167 I CB 0.960 38.979 38.000 0.032 0.000 1.358 167 I HN 0.542 nan 8.210 nan 0.000 0.467 168 I N 5.326 125.962 120.570 0.110 0.000 2.582 168 I HA 0.877 5.047 4.170 0.000 0.000 0.292 168 I C -0.345 175.927 176.117 0.258 0.000 1.066 168 I CA -0.055 61.344 61.300 0.165 0.000 1.053 168 I CB 2.063 40.161 38.000 0.164 0.000 1.241 168 I HN 0.682 nan 8.210 nan 0.000 0.421 169 G N 5.074 113.999 108.800 0.208 0.000 2.325 169 G HA2 0.163 4.123 3.960 0.000 0.000 0.297 169 G HA3 0.163 4.123 3.960 0.000 0.000 0.297 169 G C -1.854 173.094 174.900 0.080 0.000 1.448 169 G CA -0.781 44.394 45.100 0.125 0.000 0.838 169 G HN 0.497 nan 8.290 nan 0.000 0.579 170 D N 0.034 120.455 120.400 0.036 0.000 2.372 170 D HA 0.317 4.957 4.640 0.000 0.000 0.243 170 D C 1.334 177.620 176.300 -0.023 0.000 1.297 170 D CA -0.011 54.002 54.000 0.022 0.000 0.958 170 D CB 0.370 41.177 40.800 0.011 0.000 1.114 170 D HN 0.710 nan 8.370 nan 0.000 0.496 171 R N 0.181 120.671 120.500 -0.016 0.000 2.679 171 R HA 0.013 4.353 4.340 0.000 0.000 0.268 171 R C -0.103 176.139 176.300 -0.097 0.000 1.044 171 R CA -0.248 55.832 56.100 -0.032 0.000 1.105 171 R CB 0.144 30.438 30.300 -0.009 0.000 0.989 171 R HN 0.156 nan 8.270 nan 0.000 0.447 172 Q N -0.122 119.610 119.800 -0.114 0.000 2.461 172 Q HA -0.176 4.164 4.340 0.000 0.000 0.273 172 Q C 0.496 176.251 176.000 -0.408 0.000 1.163 172 Q CA 1.803 57.477 55.803 -0.216 0.000 0.929 172 Q CB -1.924 26.702 28.738 -0.187 0.000 1.334 172 Q HN 1.011 nan 8.270 nan 0.000 0.499 173 T N -5.308 109.059 114.554 -0.312 0.000 3.044 173 T HA 0.403 4.753 4.350 0.000 0.000 0.250 173 T C 1.245 175.823 174.700 -0.205 0.000 1.081 173 T CA 0.893 62.782 62.100 -0.351 0.000 1.040 173 T CB 0.873 69.612 68.868 -0.214 0.000 0.962 173 T HN 0.835 nan 8.240 nan 0.000 0.506 174 G N 1.430 110.147 108.800 -0.138 0.000 2.141 174 G HA2 -0.202 3.758 3.960 0.000 0.000 0.164 174 G HA3 -0.202 3.758 3.960 0.000 0.000 0.164 174 G C 0.655 175.550 174.900 -0.008 0.000 1.009 174 G CA 0.142 45.228 45.100 -0.022 0.000 0.677 174 G HN 0.474 nan 8.290 nan 0.000 0.508 175 K N -0.270 120.121 120.400 -0.016 0.000 2.009 175 K HA -0.062 4.258 4.320 0.000 0.000 0.210 175 K C 2.570 179.189 176.600 0.032 0.000 1.049 175 K CA 1.969 58.261 56.287 0.009 0.000 0.929 175 K CB -0.278 32.230 32.500 0.013 0.000 0.714 175 K HN 0.297 nan 8.250 nan 0.000 0.440 176 T N 0.669 115.249 114.554 0.043 0.000 2.867 176 T HA -0.092 4.258 4.350 0.000 0.000 0.268 176 T C 2.024 176.759 174.700 0.058 0.000 1.057 176 T CA 1.270 63.421 62.100 0.085 0.000 1.136 176 T CB -0.144 68.787 68.868 0.105 0.000 0.874 176 T HN 0.135 nan 8.240 nan 0.000 0.466 177 S N 1.130 116.842 115.700 0.019 0.000 2.370 177 S HA -0.074 4.396 4.470 0.000 0.000 0.226 177 S C 2.009 176.597 174.600 -0.020 0.000 1.033 177 S CA 0.742 58.928 58.200 -0.022 0.000 1.011 177 S CB -0.341 62.820 63.200 -0.065 0.000 0.852 177 S HN 0.320 nan 8.310 nan 0.000 0.457 178 I N 1.996 122.566 120.570 -0.001 0.000 2.151 178 I HA -0.205 3.965 4.170 0.000 0.000 0.243 178 I C 2.648 178.780 176.117 0.026 0.000 1.080 178 I CA 1.402 62.706 61.300 0.006 0.000 1.339 178 I CB -1.835 36.173 38.000 0.015 0.000 1.039 178 I HN 0.237 nan 8.210 nan 0.000 0.409 179 A N 0.919 123.769 122.820 0.050 0.000 1.873 179 A HA -0.141 4.179 4.320 0.000 0.000 0.215 179 A C 2.248 179.876 177.584 0.073 0.000 1.186 179 A CA 1.132 53.216 52.037 0.078 0.000 0.616 179 A CB -0.553 18.531 19.000 0.140 0.000 0.823 179 A HN 0.241 nan 8.150 nan 0.000 0.442 180 I N 0.847 121.449 120.570 0.054 0.000 2.099 180 I HA -0.234 3.936 4.170 0.000 0.000 0.239 180 I C 1.965 178.107 176.117 0.043 0.000 1.066 180 I CA 1.786 63.103 61.300 0.028 0.000 1.324 180 I CB -1.678 36.340 38.000 0.030 0.000 1.037 180 I HN 0.280 nan 8.210 nan 0.000 0.401 181 D N 0.454 120.869 120.400 0.026 0.000 2.158 181 D HA -0.169 4.471 4.640 0.000 0.000 0.197 181 D C 2.175 178.499 176.300 0.040 0.000 0.995 181 D CA 1.719 55.734 54.000 0.025 0.000 0.846 181 D CB -0.290 40.499 40.800 -0.019 0.000 0.941 181 D HN 0.300 nan 8.370 nan 0.000 0.456 182 T N 0.475 115.055 114.554 0.043 0.000 2.788 182 T HA -0.066 4.284 4.350 0.000 0.000 0.268 182 T C 2.167 176.917 174.700 0.083 0.000 1.044 182 T CA 0.503 62.637 62.100 0.057 0.000 1.139 182 T CB -0.084 68.814 68.868 0.050 0.000 0.867 182 T HN 0.189 nan 8.240 nan 0.000 0.454 183 I N 0.366 120.991 120.570 0.092 0.000 2.286 183 I HA -0.074 4.096 4.170 0.000 0.000 0.245 183 I C 2.150 178.384 176.117 0.196 0.000 1.104 183 I CA 1.210 62.597 61.300 0.144 0.000 1.397 183 I CB -0.262 37.794 38.000 0.094 0.000 1.072 183 I HN 0.211 nan 8.210 nan 0.000 0.417 184 I N 0.800 121.439 120.570 0.115 0.000 2.394 184 I HA -0.288 3.882 4.170 0.000 0.000 0.251 184 I C 2.187 178.344 176.117 0.067 0.000 1.136 184 I CA 1.271 62.634 61.300 0.106 0.000 1.425 184 I CB -0.505 37.535 38.000 0.067 0.000 1.079 184 I HN 0.308 nan 8.210 nan 0.000 0.425 185 N N 0.731 119.450 118.700 0.031 0.000 2.223 185 N HA -0.214 4.526 4.740 0.000 0.000 0.185 185 N C 1.798 177.199 175.510 -0.181 0.000 1.016 185 N CA 1.150 54.170 53.050 -0.050 0.000 0.863 185 N CB 0.081 38.571 38.487 0.004 0.000 0.983 185 N HN 0.212 nan 8.380 nan 0.000 0.429 186 Q N 0.290 120.041 119.800 -0.082 0.000 2.436 186 Q HA -0.075 4.265 4.340 0.000 0.000 0.209 186 Q C 1.556 177.291 176.000 -0.442 0.000 0.965 186 Q CA 0.500 56.203 55.803 -0.166 0.000 0.910 186 Q CB -0.176 28.509 28.738 -0.089 0.000 0.980 186 Q HN 0.528 nan 8.270 nan 0.000 0.491 187 K N 1.507 121.733 120.400 -0.290 0.000 2.211 187 K HA -0.160 4.160 4.320 0.000 0.000 0.204 187 K C 1.737 178.149 176.600 -0.312 0.000 1.047 187 K CA 0.924 57.076 56.287 -0.226 0.000 0.935 187 K CB 0.170 32.680 32.500 0.017 0.000 0.728 187 K HN 0.165 nan 8.250 nan 0.000 0.452 188 R N -0.421 119.788 120.500 -0.486 0.000 2.081 188 R HA -0.130 4.210 4.340 0.000 0.000 0.235 188 R C 2.217 178.280 176.300 -0.395 0.000 1.131 188 R CA 1.835 57.642 56.100 -0.488 0.000 0.960 188 R CB -0.566 29.328 30.300 -0.678 0.000 0.856 188 R HN 0.157 nan 8.270 nan 0.000 0.436 189 F N 1.173 121.028 119.950 -0.159 0.000 2.187 189 F HA 0.039 4.566 4.527 0.000 0.000 0.295 189 F C 1.878 177.551 175.800 -0.211 0.000 1.091 189 F CA 0.422 58.321 58.000 -0.168 0.000 1.308 189 F CB -0.733 38.160 39.000 -0.179 0.000 1.030 189 F HN -0.090 nan 8.300 nan 0.000 0.487 190 N N 0.123 118.712 118.700 -0.186 0.000 2.453 190 N HA -0.116 4.624 4.740 0.000 0.000 0.183 190 N C 0.770 176.190 175.510 -0.150 0.000 1.041 190 N CA 1.000 53.876 53.050 -0.290 0.000 0.900 190 N CB -0.368 37.739 38.487 -0.634 0.000 0.961 190 N HN 0.283 nan 8.380 nan 0.000 0.443 191 D N -0.569 119.761 120.400 -0.116 0.000 2.369 191 D HA 0.117 4.757 4.640 0.000 0.000 0.211 191 D C 1.110 177.388 176.300 -0.038 0.000 1.077 191 D CA 0.082 54.046 54.000 -0.060 0.000 0.842 191 D CB 0.193 40.958 40.800 -0.058 0.000 0.947 191 D HN 0.099 nan 8.370 nan 0.000 0.509 192 G N -0.231 108.551 108.800 -0.030 0.000 2.621 192 G HA2 0.243 4.203 3.960 0.000 0.000 0.271 192 G HA3 0.243 4.203 3.960 0.000 0.000 0.271 192 G C 0.938 175.841 174.900 0.004 0.000 1.236 192 G CA -0.093 45.006 45.100 -0.002 0.000 0.958 192 G HN 0.009 nan 8.290 nan 0.000 0.512 193 T N -0.945 113.616 114.554 0.011 0.000 3.051 193 T HA 0.059 4.409 4.350 0.000 0.000 0.255 193 T C 0.490 175.200 174.700 0.017 0.000 1.085 193 T CA 0.389 62.496 62.100 0.013 0.000 1.109 193 T CB 0.151 69.025 68.868 0.010 0.000 0.921 193 T HN 0.450 nan 8.240 nan 0.000 0.488 194 D N 1.859 122.271 120.400 0.020 0.000 2.365 194 D HA 0.189 4.829 4.640 0.000 0.000 0.237 194 D C 0.565 176.878 176.300 0.022 0.000 1.190 194 D CA -0.239 53.772 54.000 0.019 0.000 0.867 194 D CB 1.115 41.923 40.800 0.015 0.000 1.050 194 D HN -0.006 nan 8.370 nan 0.000 0.491 195 E N 2.289 122.507 120.200 0.030 0.000 2.418 195 E HA -0.048 4.302 4.350 0.000 0.000 0.197 195 E C 1.419 178.054 176.600 0.058 0.000 1.026 195 E CA 0.640 57.066 56.400 0.042 0.000 0.862 195 E CB 0.171 29.910 29.700 0.064 0.000 0.799 195 E HN 0.473 nan 8.360 nan 0.000 0.518 196 K N 0.486 120.918 120.400 0.054 0.000 2.097 196 K HA -0.039 4.281 4.320 0.000 0.000 0.205 196 K C 1.413 178.052 176.600 0.064 0.000 1.050 196 K CA 0.963 57.309 56.287 0.098 0.000 0.938 196 K CB 0.096 32.632 32.500 0.059 0.000 0.718 196 K HN 0.013 nan 8.250 nan 0.000 0.442 197 K N 0.868 121.241 120.400 -0.045 0.000 2.444 197 K HA 0.040 4.360 4.320 0.000 0.000 0.193 197 K C 0.079 176.574 176.600 -0.174 0.000 1.024 197 K CA 0.215 56.373 56.287 -0.215 0.000 1.077 197 K CB 0.265 32.593 32.500 -0.286 0.000 0.833 197 K HN 0.025 nan 8.250 nan 0.000 0.517 198 K N 1.535 121.902 120.400 -0.055 0.000 2.382 198 K HA 0.097 4.417 4.320 0.000 0.000 0.275 198 K C -0.713 175.774 176.600 -0.188 0.000 1.009 198 K CA -0.105 56.092 56.287 -0.150 0.000 0.970 198 K CB 0.475 32.850 32.500 -0.208 0.000 0.934 198 K HN -0.128 nan 8.250 nan 0.000 0.479 199 L N 4.687 125.710 121.223 -0.334 0.000 2.446 199 L HA 0.293 4.633 4.340 0.000 0.000 0.268 199 L C -1.661 174.979 176.870 -0.384 0.000 0.975 199 L CA -0.449 54.248 54.840 -0.238 0.000 0.848 199 L CB 0.794 42.789 42.059 -0.106 0.000 1.225 199 L HN 0.441 nan 8.230 nan 0.000 0.410 200 Y N 3.239 123.412 120.300 -0.211 0.000 2.304 200 Y HA 0.459 5.009 4.550 0.000 0.000 0.328 200 Y C 0.560 176.371 175.900 -0.148 0.000 1.123 200 Y CA -0.033 57.915 58.100 -0.253 0.000 1.218 200 Y CB 1.029 38.999 38.460 -0.818 0.000 1.207 200 Y HN 0.503 nan 8.280 nan 0.000 0.495 201 C N 4.765 124.173 119.300 0.181 0.000 2.391 201 C HA 0.678 5.138 4.460 0.000 0.000 0.339 201 C C -0.021 175.026 174.990 0.094 0.000 1.205 201 C CA -1.082 58.014 59.018 0.129 0.000 1.937 201 C CB 0.023 27.877 27.740 0.191 0.000 2.341 201 C HN 0.641 nan 8.230 nan 0.000 0.516 202 I N 2.372 122.977 120.570 0.059 0.000 2.468 202 I HA 0.227 4.398 4.170 0.000 0.000 0.285 202 I C -1.166 174.972 176.117 0.035 0.000 1.039 202 I CA -0.409 60.923 61.300 0.053 0.000 1.074 202 I CB 1.026 39.047 38.000 0.034 0.000 1.228 202 I HN 0.636 nan 8.210 nan 0.000 0.436 203 Y N 7.307 127.580 120.300 -0.044 0.000 2.491 203 Y HA 0.524 5.074 4.550 0.000 0.000 0.334 203 Y C -0.670 175.210 175.900 -0.033 0.000 0.969 203 Y CA -0.642 57.427 58.100 -0.052 0.000 1.241 203 Y CB 1.022 39.462 38.460 -0.034 0.000 1.105 203 Y HN 0.269 nan 8.280 nan 0.000 0.503 204 V N 6.209 125.900 119.914 -0.371 0.000 2.364 204 V HA 0.581 4.701 4.120 0.000 0.000 0.272 204 V C 0.128 175.990 176.094 -0.386 0.000 1.036 204 V CA -0.584 61.572 62.300 -0.240 0.000 0.880 204 V CB 0.742 32.511 31.823 -0.089 0.000 0.991 204 V HN 0.886 nan 8.190 nan 0.000 0.460 205 A N 6.979 129.692 122.820 -0.179 0.000 2.253 205 A HA 0.828 5.148 4.320 0.000 0.000 0.316 205 A C -0.646 176.926 177.584 -0.020 0.000 1.327 205 A CA -0.321 51.664 52.037 -0.085 0.000 0.917 205 A CB 0.005 19.074 19.000 0.114 0.000 1.162 205 A HN 0.719 nan 8.150 nan 0.000 0.535 206 I N 1.762 122.320 120.570 -0.021 0.000 2.404 206 I HA 0.611 4.781 4.170 0.000 0.000 0.293 206 I C 1.274 177.416 176.117 0.042 0.000 0.992 206 I CA 0.607 61.917 61.300 0.018 0.000 1.149 206 I CB 1.791 39.798 38.000 0.012 0.000 1.315 206 I HN 0.945 nan 8.210 nan 0.000 0.446 207 G N 3.388 112.224 108.800 0.059 0.000 2.257 207 G HA2 -0.281 3.679 3.960 0.000 0.000 0.267 207 G HA3 -0.281 3.679 3.960 0.000 0.000 0.267 207 G C 0.550 175.486 174.900 0.061 0.000 0.984 207 G CA 0.052 45.191 45.100 0.065 0.000 0.626 207 G HN 0.620 nan 8.290 nan 0.000 0.540 208 Q N 0.392 120.229 119.800 0.061 0.000 2.584 208 Q HA 0.313 4.653 4.340 0.000 0.000 0.235 208 Q C 0.789 176.824 176.000 0.060 0.000 1.079 208 Q CA 0.620 56.462 55.803 0.066 0.000 0.977 208 Q CB 0.365 29.155 28.738 0.087 0.000 1.293 208 Q HN 0.575 nan 8.270 nan 0.000 0.553 209 K N 1.097 121.530 120.400 0.055 0.000 2.201 209 K HA 0.167 4.487 4.320 0.000 0.000 0.278 209 K C 0.349 176.977 176.600 0.046 0.000 1.027 209 K CA -0.321 55.994 56.287 0.046 0.000 0.909 209 K CB 0.900 33.423 32.500 0.039 0.000 1.062 209 K HN 0.487 nan 8.250 nan 0.000 0.465 210 R N 1.137 121.662 120.500 0.042 0.000 2.133 210 R HA -0.204 4.136 4.340 0.000 0.000 0.247 210 R C 2.088 178.406 176.300 0.031 0.000 1.151 210 R CA 2.442 58.565 56.100 0.038 0.000 0.971 210 R CB -0.332 29.988 30.300 0.032 0.000 0.866 210 R HN 0.919 nan 8.270 nan 0.000 0.447 211 S N -0.705 115.011 115.700 0.026 0.000 2.419 211 S HA -0.111 4.359 4.470 0.000 0.000 0.233 211 S C 1.848 176.459 174.600 0.018 0.000 1.016 211 S CA 1.621 59.832 58.200 0.019 0.000 0.974 211 S CB -0.254 62.956 63.200 0.016 0.000 0.786 211 S HN 0.216 nan 8.310 nan 0.000 0.492 212 T N 2.162 116.732 114.554 0.028 0.000 2.812 212 T HA 0.052 4.402 4.350 0.000 0.000 0.264 212 T C 1.896 176.611 174.700 0.025 0.000 1.042 212 T CA 1.244 63.361 62.100 0.029 0.000 1.140 212 T CB -0.441 68.454 68.868 0.045 0.000 0.870 212 T HN 0.304 nan 8.240 nan 0.000 0.445 213 V N 1.798 121.737 119.914 0.042 0.000 2.427 213 V HA -0.122 3.998 4.120 0.000 0.000 0.248 213 V C 2.875 178.970 176.094 0.003 0.000 1.051 213 V CA 1.592 63.918 62.300 0.044 0.000 1.048 213 V CB -1.162 30.708 31.823 0.079 0.000 0.666 213 V HN 0.503 nan 8.190 nan 0.000 0.456 214 A N -1.031 121.792 122.820 0.005 0.000 1.930 214 A HA -0.215 4.105 4.320 0.000 0.000 0.217 214 A C 2.220 179.789 177.584 -0.026 0.000 1.175 214 A CA 1.414 53.446 52.037 -0.009 0.000 0.627 214 A CB -0.409 18.590 19.000 -0.002 0.000 0.815 214 A HN 0.490 nan 8.150 nan 0.000 0.443 215 Q N -0.732 119.054 119.800 -0.023 0.000 2.119 215 Q HA -0.100 4.240 4.340 0.000 0.000 0.201 215 Q C 2.115 178.079 176.000 -0.061 0.000 0.972 215 Q CA 0.828 56.611 55.803 -0.034 0.000 0.847 215 Q CB -0.451 28.275 28.738 -0.019 0.000 0.903 215 Q HN 0.596 nan 8.270 nan 0.000 0.433 216 L N 0.444 121.620 121.223 -0.077 0.000 1.989 216 L HA -0.154 4.186 4.340 0.000 0.000 0.211 216 L C 2.272 179.050 176.870 -0.153 0.000 1.071 216 L CA 1.524 56.276 54.840 -0.146 0.000 0.749 216 L CB -0.948 40.979 42.059 -0.220 0.000 0.890 216 L HN 0.027 nan 8.230 nan 0.000 0.431 217 V N 0.389 120.232 119.914 -0.119 0.000 2.407 217 V HA -0.279 3.842 4.120 0.000 0.000 0.248 217 V C 2.707 178.745 176.094 -0.092 0.000 1.055 217 V CA 1.892 64.131 62.300 -0.101 0.000 1.049 217 V CB -0.686 31.101 31.823 -0.061 0.000 0.662 217 V HN 0.486 nan 8.190 nan 0.000 0.455 218 K N 0.427 120.780 120.400 -0.079 0.000 2.097 218 K HA -0.229 4.091 4.320 0.000 0.000 0.205 218 K C 2.329 178.873 176.600 -0.092 0.000 1.050 218 K CA 1.587 57.830 56.287 -0.074 0.000 0.938 218 K CB -0.035 32.429 32.500 -0.060 0.000 0.718 218 K HN 0.308 nan 8.250 nan 0.000 0.442 219 R N 1.155 121.592 120.500 -0.105 0.000 2.073 219 R HA 0.001 4.341 4.340 0.000 0.000 0.229 219 R C 2.183 178.412 176.300 -0.119 0.000 1.120 219 R CA 1.266 57.291 56.100 -0.126 0.000 0.967 219 R CB -0.543 29.686 30.300 -0.119 0.000 0.862 219 R HN 0.231 nan 8.270 nan 0.000 0.436 220 L N -0.318 120.830 121.223 -0.125 0.000 2.156 220 L HA -0.071 4.269 4.340 0.000 0.000 0.208 220 L C 2.095 178.885 176.870 -0.133 0.000 1.095 220 L CA 1.629 56.385 54.840 -0.139 0.000 0.770 220 L CB -0.637 41.317 42.059 -0.174 0.000 0.914 220 L HN 0.255 nan 8.230 nan 0.000 0.439 221 T N -0.784 113.703 114.554 -0.112 0.000 2.708 221 T HA -0.164 4.186 4.350 0.000 0.000 0.266 221 T C 1.430 176.081 174.700 -0.081 0.000 1.037 221 T CA 1.523 63.568 62.100 -0.092 0.000 1.146 221 T CB -0.223 68.602 68.868 -0.072 0.000 0.865 221 T HN 0.294 nan 8.240 nan 0.000 0.435 222 D N 1.559 121.909 120.400 -0.084 0.000 2.144 222 D HA 0.007 4.647 4.640 0.000 0.000 0.199 222 D C 2.091 178.347 176.300 -0.074 0.000 0.984 222 D CA 1.055 55.009 54.000 -0.078 0.000 0.834 222 D CB -0.404 40.340 40.800 -0.093 0.000 0.955 222 D HN 0.422 nan 8.370 nan 0.000 0.465 223 A N 0.205 122.976 122.820 -0.081 0.000 2.235 223 A HA -0.035 4.285 4.320 0.000 0.000 0.208 223 A C 0.505 178.062 177.584 -0.045 0.000 1.172 223 A CA 0.739 52.741 52.037 -0.059 0.000 0.786 223 A CB -0.119 18.851 19.000 -0.049 0.000 0.804 223 A HN 0.096 nan 8.150 nan 0.000 0.479 224 D N -3.430 116.933 120.400 -0.063 0.000 2.800 224 D HA -0.190 4.450 4.640 0.000 0.000 0.232 224 D C 0.652 176.902 176.300 -0.085 0.000 1.137 224 D CA 1.062 55.032 54.000 -0.051 0.000 0.718 224 D CB -1.281 39.513 40.800 -0.009 0.000 1.084 224 D HN 0.522 nan 8.370 nan 0.000 0.432 225 A N -0.860 121.828 122.820 -0.221 0.000 2.288 225 A HA 0.181 4.501 4.320 0.000 0.000 0.216 225 A C 1.974 179.087 177.584 -0.786 0.000 1.199 225 A CA 0.354 52.021 52.037 -0.616 0.000 0.891 225 A CB 0.016 18.772 19.000 -0.407 0.000 0.923 225 A HN 0.250 nan 8.150 nan 0.000 0.500 226 M N 1.474 120.847 119.600 -0.378 0.000 2.108 226 M HA -0.182 4.298 4.480 0.000 0.000 0.261 226 M C 2.100 178.261 176.300 -0.232 0.000 1.066 226 M CA 2.042 57.184 55.300 -0.264 0.000 1.107 226 M CB -0.946 31.569 32.600 -0.142 0.000 1.356 226 M HN 0.677 nan 8.290 nan 0.000 0.406 227 K N 0.094 120.386 120.400 -0.180 0.000 2.173 227 K HA -0.211 4.109 4.320 0.000 0.000 0.207 227 K C 0.898 177.547 176.600 0.082 0.000 1.046 227 K CA 2.061 58.335 56.287 -0.022 0.000 0.929 227 K CB -0.921 31.610 32.500 0.051 0.000 0.720 227 K HN 0.542 nan 8.250 nan 0.000 0.453 228 Y N -0.542 119.793 120.300 0.059 0.000 2.720 228 Y HA 0.497 5.047 4.550 0.000 0.000 0.268 228 Y C -0.750 175.205 175.900 0.092 0.000 1.142 228 Y CA -1.096 57.064 58.100 0.100 0.000 1.193 228 Y CB 0.134 38.584 38.460 -0.017 0.000 1.176 228 Y HN -0.199 nan 8.280 nan 0.000 0.542 229 T N 2.706 117.245 114.554 -0.024 0.000 2.886 229 T HA 0.561 4.911 4.350 0.000 0.000 0.292 229 T C -0.600 174.127 174.700 0.044 0.000 1.012 229 T CA -0.464 61.632 62.100 -0.007 0.000 0.982 229 T CB 1.718 70.502 68.868 -0.141 0.000 1.018 229 T HN 0.189 nan 8.240 nan 0.000 0.451 230 I N 2.748 123.372 120.570 0.089 0.000 2.339 230 I HA 0.438 4.609 4.170 0.000 0.000 0.290 230 I C -0.443 175.725 176.117 0.085 0.000 0.994 230 I CA -1.049 60.304 61.300 0.089 0.000 1.191 230 I CB 1.612 39.685 38.000 0.121 0.000 1.343 230 I HN 0.238 nan 8.210 nan 0.000 0.458 231 V N 7.396 127.354 119.914 0.074 0.000 2.328 231 V HA 0.249 4.369 4.120 0.000 0.000 0.278 231 V C 0.131 176.273 176.094 0.080 0.000 1.021 231 V CA -0.657 61.707 62.300 0.106 0.000 0.838 231 V CB 1.579 33.462 31.823 0.099 0.000 0.999 231 V HN 0.405 nan 8.190 nan 0.000 0.447 232 V N 4.184 124.140 119.914 0.071 0.000 2.364 232 V HA 0.405 4.526 4.120 0.000 0.000 0.272 232 V C 0.430 176.551 176.094 0.046 0.000 1.036 232 V CA 0.018 62.343 62.300 0.041 0.000 0.880 232 V CB 1.485 33.321 31.823 0.021 0.000 0.991 232 V HN 0.831 nan 8.190 nan 0.000 0.460 233 S N 4.182 119.910 115.700 0.047 0.000 2.566 233 S HA 0.722 5.192 4.470 0.000 0.000 0.324 233 S C -0.039 174.587 174.600 0.042 0.000 1.081 233 S CA -0.233 57.999 58.200 0.054 0.000 1.105 233 S CB 0.943 64.182 63.200 0.066 0.000 0.981 233 S HN 1.004 nan 8.310 nan 0.000 0.464 234 A N 4.466 127.311 122.820 0.042 0.000 2.938 234 A HA 0.555 4.875 4.320 0.000 0.000 0.344 234 A C 0.563 178.182 177.584 0.059 0.000 1.142 234 A CA -0.666 51.402 52.037 0.052 0.000 0.841 234 A CB -0.317 18.716 19.000 0.056 0.000 1.083 234 A HN 0.816 nan 8.150 nan 0.000 0.479 235 T N -1.548 113.041 114.554 0.058 0.000 2.766 235 T HA 0.470 4.820 4.350 0.000 0.000 0.295 235 T C 1.563 176.299 174.700 0.060 0.000 1.024 235 T CA 0.050 62.185 62.100 0.059 0.000 1.018 235 T CB 1.027 69.927 68.868 0.054 0.000 1.002 235 T HN 1.008 nan 8.240 nan 0.000 0.532 236 A N 0.896 123.750 122.820 0.057 0.000 2.032 236 A HA -0.092 4.228 4.320 0.000 0.000 0.221 236 A C 2.490 180.105 177.584 0.051 0.000 1.165 236 A CA 2.061 54.131 52.037 0.055 0.000 0.645 236 A CB -1.373 17.657 19.000 0.049 0.000 0.807 236 A HN 1.147 nan 8.150 nan 0.000 0.453 237 S N -0.720 115.009 115.700 0.047 0.000 2.558 237 S HA 0.049 4.519 4.470 0.000 0.000 0.217 237 S C -0.000 174.630 174.600 0.050 0.000 0.975 237 S CA -0.100 58.125 58.200 0.043 0.000 0.912 237 S CB -0.220 63.001 63.200 0.035 0.000 0.776 237 S HN 0.394 nan 8.310 nan 0.000 0.526 238 D N 2.985 123.422 120.400 0.060 0.000 2.350 238 D HA 0.531 5.171 4.640 0.000 0.000 0.249 238 D C 0.433 176.787 176.300 0.089 0.000 1.119 238 D CA 0.228 54.273 54.000 0.075 0.000 0.886 238 D CB 1.308 42.156 40.800 0.081 0.000 1.195 238 D HN 0.458 nan 8.370 nan 0.000 0.437 239 A N 1.968 124.848 122.820 0.099 0.000 2.583 239 A HA 0.259 4.579 4.320 0.000 0.000 0.231 239 A C 1.539 179.204 177.584 0.134 0.000 1.065 239 A CA 0.513 52.611 52.037 0.102 0.000 0.760 239 A CB 0.132 19.197 19.000 0.107 0.000 1.001 239 A HN 0.659 nan 8.150 nan 0.000 0.509 240 A N 2.833 125.720 122.820 0.112 0.000 1.903 240 A HA -0.106 4.214 4.320 0.000 0.000 0.219 240 A C -0.056 177.663 177.584 0.226 0.000 1.191 240 A CA 2.226 54.348 52.037 0.141 0.000 0.638 240 A CB -1.833 17.220 19.000 0.088 0.000 0.823 240 A HN 0.659 nan 8.150 nan 0.000 0.451 241 P HA -0.137 nan 4.420 nan 0.000 0.218 241 P C 1.429 179.079 177.300 0.583 0.000 1.148 241 P CA 0.883 64.198 63.100 0.360 0.000 0.822 241 P CB -0.110 31.673 31.700 0.139 0.000 0.784 242 L N -1.037 120.444 121.223 0.430 0.000 2.044 242 L HA -0.168 4.172 4.340 0.000 0.000 0.205 242 L C 2.578 179.577 176.870 0.216 0.000 1.075 242 L CA 1.508 56.528 54.840 0.300 0.000 0.747 242 L CB -0.881 41.303 42.059 0.208 0.000 0.903 242 L HN -0.018 nan 8.230 nan 0.000 0.435 243 Q N -1.105 118.823 119.800 0.213 0.000 2.167 243 Q HA -0.253 4.087 4.340 0.000 0.000 0.202 243 Q C 2.019 178.140 176.000 0.202 0.000 0.970 243 Q CA 1.725 57.627 55.803 0.166 0.000 0.855 243 Q CB -0.249 28.582 28.738 0.154 0.000 0.911 243 Q HN 0.520 nan 8.270 nan 0.000 0.438 244 Y N 0.792 121.193 120.300 0.168 0.000 2.242 244 Y HA -0.176 4.374 4.550 0.000 0.000 0.291 244 Y C 1.844 177.877 175.900 0.221 0.000 1.137 244 Y CA 0.989 59.206 58.100 0.196 0.000 1.181 244 Y CB -0.059 38.553 38.460 0.253 0.000 0.989 244 Y HN 0.076 nan 8.280 nan 0.000 0.527 245 L N 0.548 121.848 121.223 0.128 0.000 2.209 245 L HA 0.154 4.494 4.340 0.000 0.000 0.207 245 L C 2.505 179.374 176.870 -0.001 0.000 1.094 245 L CA 1.564 56.429 54.840 0.041 0.000 0.790 245 L CB -1.053 41.077 42.059 0.117 0.000 0.932 245 L HN 0.271 nan 8.230 nan 0.000 0.447 246 A N 0.620 123.432 122.820 -0.014 0.000 1.915 246 A HA -0.205 4.115 4.320 0.000 0.000 0.220 246 A C -0.036 177.504 177.584 -0.073 0.000 1.198 246 A CA 2.382 54.401 52.037 -0.031 0.000 0.647 246 A CB -2.092 16.904 19.000 -0.007 0.000 0.825 246 A HN 0.417 nan 8.150 nan 0.000 0.456 247 P HA -0.139 nan 4.420 nan 0.000 0.215 247 P C 0.935 178.065 177.300 -0.283 0.000 1.157 247 P CA 1.288 64.204 63.100 -0.306 0.000 0.863 247 P CB -0.219 31.056 31.700 -0.708 0.000 0.787 248 Y N -0.349 119.852 120.300 -0.164 0.000 2.181 248 Y HA -0.133 4.417 4.550 0.000 0.000 0.288 248 Y C 2.683 178.549 175.900 -0.057 0.000 1.146 248 Y CA 1.313 59.331 58.100 -0.137 0.000 1.164 248 Y CB -1.549 36.785 38.460 -0.211 0.000 0.982 248 Y HN -0.099 nan 8.280 nan 0.000 0.515 249 S N -0.048 115.700 115.700 0.080 0.000 2.359 249 S HA -0.234 4.236 4.470 0.000 0.000 0.222 249 S C 2.459 177.090 174.600 0.052 0.000 1.038 249 S CA 1.526 59.749 58.200 0.039 0.000 1.051 249 S CB -1.160 62.038 63.200 -0.003 0.000 0.944 249 S HN 0.672 nan 8.310 nan 0.000 0.433 250 G N -0.204 108.632 108.800 0.060 0.000 2.442 250 G HA2 -0.272 3.688 3.960 0.000 0.000 0.219 250 G HA3 -0.272 3.688 3.960 0.000 0.000 0.219 250 G C 1.716 176.684 174.900 0.113 0.000 1.141 250 G CA 1.095 46.241 45.100 0.076 0.000 0.763 250 G HN 0.600 nan 8.290 nan 0.000 0.554 251 C N 0.462 119.853 119.300 0.153 0.000 2.429 251 C HA 0.007 4.467 4.460 0.000 0.000 0.277 251 C C 3.268 178.336 174.990 0.129 0.000 1.262 251 C CA 1.644 60.764 59.018 0.170 0.000 1.733 251 C CB -0.952 26.892 27.740 0.174 0.000 2.010 251 C HN 0.366 nan 8.230 nan 0.000 0.483 252 S N 0.678 116.440 115.700 0.103 0.000 2.356 252 S HA -0.179 4.291 4.470 0.000 0.000 0.223 252 S C 1.743 176.395 174.600 0.086 0.000 1.032 252 S CA 2.086 60.335 58.200 0.081 0.000 1.005 252 S CB -0.413 62.818 63.200 0.052 0.000 0.867 252 S HN 0.662 nan 8.310 nan 0.000 0.449 253 M N 0.916 120.563 119.600 0.079 0.000 2.195 253 M HA -0.100 4.380 4.480 0.000 0.000 0.260 253 M C 2.356 178.783 176.300 0.211 0.000 1.066 253 M CA 1.556 56.905 55.300 0.082 0.000 1.089 253 M CB -0.756 31.895 32.600 0.084 0.000 1.377 253 M HN 0.462 nan 8.290 nan 0.000 0.411 254 G N -0.223 108.725 108.800 0.247 0.000 2.396 254 G HA2 -0.129 3.831 3.960 0.000 0.000 0.214 254 G HA3 -0.129 3.831 3.960 0.000 0.000 0.214 254 G C 1.287 176.368 174.900 0.302 0.000 1.166 254 G CA 0.262 45.578 45.100 0.359 0.000 0.793 254 G HN 0.471 nan 8.290 nan 0.000 0.533 255 E N -0.504 119.804 120.200 0.180 0.000 2.267 255 E HA -0.182 4.168 4.350 0.000 0.000 0.197 255 E C 1.870 178.519 176.600 0.081 0.000 0.998 255 E CA 0.694 57.166 56.400 0.121 0.000 0.830 255 E CB -0.197 29.557 29.700 0.090 0.000 0.751 255 E HN 0.663 nan 8.360 nan 0.000 0.491 256 Y N 0.095 120.350 120.300 -0.075 0.000 2.242 256 Y HA -0.212 4.339 4.550 0.000 0.000 0.291 256 Y C 1.555 177.290 175.900 -0.275 0.000 1.137 256 Y CA 1.369 59.332 58.100 -0.230 0.000 1.181 256 Y CB -0.186 38.034 38.460 -0.401 0.000 0.989 256 Y HN -0.084 nan 8.280 nan 0.000 0.527 257 F N 0.281 120.157 119.950 -0.123 0.000 2.128 257 F HA -0.034 4.493 4.527 0.000 0.000 0.295 257 F C 2.765 178.458 175.800 -0.179 0.000 1.100 257 F CA 1.695 59.565 58.000 -0.217 0.000 1.260 257 F CB -0.857 38.116 39.000 -0.044 0.000 1.009 257 F HN -0.115 nan 8.300 nan 0.000 0.476 258 R N 0.595 121.165 120.500 0.117 0.000 2.103 258 R HA -0.189 4.151 4.340 0.000 0.000 0.242 258 R C 0.840 177.141 176.300 0.002 0.000 1.142 258 R CA 2.120 58.261 56.100 0.069 0.000 0.960 258 R CB -0.433 29.919 30.300 0.088 0.000 0.858 258 R HN 0.186 nan 8.270 nan 0.000 0.439 259 D N -0.540 119.834 120.400 -0.044 0.000 2.339 259 D HA 0.019 4.659 4.640 0.000 0.000 0.217 259 D C -0.174 176.061 176.300 -0.108 0.000 1.050 259 D CA 0.494 54.473 54.000 -0.035 0.000 0.856 259 D CB 0.182 40.976 40.800 -0.009 0.000 0.922 259 D HN 0.333 nan 8.370 nan 0.000 0.518 260 N N -0.691 117.889 118.700 -0.200 0.000 2.480 260 N HA 0.289 5.029 4.740 0.000 0.000 0.281 260 N C 0.870 176.280 175.510 -0.166 0.000 1.381 260 N CA -0.014 52.894 53.050 -0.236 0.000 0.903 260 N CB 1.472 39.677 38.487 -0.470 0.000 1.274 260 N HN -0.004 nan 8.380 nan 0.000 0.505 261 G N 0.253 108.981 108.800 -0.121 0.000 2.220 261 G HA2 -0.353 3.607 3.960 0.000 0.000 0.269 261 G HA3 -0.353 3.607 3.960 0.000 0.000 0.269 261 G C 0.283 175.042 174.900 -0.235 0.000 0.977 261 G CA 0.691 45.711 45.100 -0.133 0.000 0.634 261 G HN 0.296 nan 8.290 nan 0.000 0.539 262 K N -0.303 119.983 120.400 -0.190 0.000 2.132 262 K HA 0.720 5.041 4.320 0.000 0.000 0.241 262 K C -0.226 176.217 176.600 -0.262 0.000 1.000 262 K CA -0.648 55.545 56.287 -0.156 0.000 0.911 262 K CB 0.720 33.318 32.500 0.165 0.000 1.093 262 K HN 0.468 nan 8.250 nan 0.000 0.460 263 H N -0.431 118.743 119.070 0.175 0.000 2.589 263 H HA 0.589 5.145 4.556 0.000 0.000 0.335 263 H C -1.086 174.278 175.328 0.060 0.000 1.019 263 H CA -0.889 55.211 56.048 0.087 0.000 1.213 263 H CB 1.822 31.588 29.762 0.007 0.000 1.472 263 H HN 0.590 nan 8.280 nan 0.000 0.508 264 A N 2.889 125.801 122.820 0.153 0.000 2.356 264 A HA 0.628 4.948 4.320 0.000 0.000 0.323 264 A C -1.431 176.177 177.584 0.040 0.000 1.119 264 A CA -0.692 51.365 52.037 0.033 0.000 0.790 264 A CB 1.224 20.248 19.000 0.040 0.000 1.273 264 A HN 0.530 nan 8.150 nan 0.000 0.452 265 L N 1.801 123.029 121.223 0.008 0.000 2.341 265 L HA 0.799 5.139 4.340 0.000 0.000 0.278 265 L C -0.947 175.896 176.870 -0.044 0.000 1.005 265 L CA -0.454 54.381 54.840 -0.008 0.000 0.818 265 L CB 1.236 43.300 42.059 0.009 0.000 1.259 265 L HN 0.678 nan 8.230 nan 0.000 0.418 266 I N 4.964 125.459 120.570 -0.125 0.000 2.509 266 I HA 0.572 4.742 4.170 0.000 0.000 0.293 266 I C -1.339 174.517 176.117 -0.435 0.000 1.020 266 I CA -0.595 60.532 61.300 -0.289 0.000 1.088 266 I CB 1.634 39.397 38.000 -0.395 0.000 1.267 266 I HN 0.622 nan 8.210 nan 0.000 0.430 267 I N 7.725 128.037 120.570 -0.429 0.000 2.378 267 I HA 0.279 4.449 4.170 0.000 0.000 0.291 267 I C -1.274 174.509 176.117 -0.557 0.000 0.992 267 I CA -0.174 60.893 61.300 -0.389 0.000 1.154 267 I CB 1.368 39.285 38.000 -0.140 0.000 1.315 267 I HN 0.327 nan 8.210 nan 0.000 0.448 268 Y N 3.834 124.003 120.300 -0.217 0.000 2.721 268 Y HA 0.414 4.964 4.550 0.000 0.000 0.328 268 Y C -0.213 175.539 175.900 -0.247 0.000 1.003 268 Y CA -1.021 56.925 58.100 -0.256 0.000 1.275 268 Y CB 0.531 38.846 38.460 -0.240 0.000 1.097 268 Y HN 0.398 nan 8.280 nan 0.000 0.514 269 D N 3.225 123.501 120.400 -0.208 0.000 2.462 269 D HA 0.232 4.873 4.640 0.000 0.000 0.249 269 D C -1.175 175.071 176.300 -0.090 0.000 1.117 269 D CA -0.350 53.555 54.000 -0.159 0.000 0.900 269 D CB 0.270 40.921 40.800 -0.248 0.000 1.039 269 D HN 0.659 nan 8.370 nan 0.000 0.516 270 D N 0.345 120.725 120.400 -0.033 0.000 2.552 270 D HA 0.224 4.864 4.640 0.000 0.000 0.239 270 D C 0.736 177.012 176.300 -0.040 0.000 1.139 270 D CA -0.751 53.230 54.000 -0.032 0.000 0.914 270 D CB 1.022 41.819 40.800 -0.006 0.000 1.461 270 D HN 0.087 nan 8.370 nan 0.000 0.462 271 L N 0.351 121.516 121.223 -0.096 0.000 2.478 271 L HA -0.018 4.322 4.340 0.000 0.000 0.223 271 L C 1.690 178.557 176.870 -0.006 0.000 1.140 271 L CA 0.482 55.224 54.840 -0.163 0.000 0.842 271 L CB -0.346 41.401 42.059 -0.521 0.000 0.953 271 L HN 0.436 nan 8.230 nan 0.000 0.452 272 S N 0.341 116.051 115.700 0.018 0.000 2.355 272 S HA -0.156 4.314 4.470 0.000 0.000 0.222 272 S C 1.882 176.564 174.600 0.137 0.000 1.031 272 S CA 1.281 59.530 58.200 0.082 0.000 0.993 272 S CB -0.027 63.214 63.200 0.070 0.000 0.859 272 S HN 0.424 nan 8.310 nan 0.000 0.453 273 K N 1.178 121.643 120.400 0.107 0.000 2.217 273 K HA -0.007 4.313 4.320 0.000 0.000 0.202 273 K C 2.358 179.049 176.600 0.151 0.000 1.051 273 K CA 0.586 56.948 56.287 0.125 0.000 0.952 273 K CB -0.101 32.453 32.500 0.091 0.000 0.736 273 K HN 0.332 nan 8.250 nan 0.000 0.453 274 Q N 1.143 121.023 119.800 0.135 0.000 2.050 274 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 274 Q C 2.057 178.219 176.000 0.270 0.000 0.980 274 Q CA 1.688 57.590 55.803 0.165 0.000 0.840 274 Q CB -0.111 28.676 28.738 0.081 0.000 0.898 274 Q HN 0.338 nan 8.270 nan 0.000 0.424 275 A N 0.015 123.010 122.820 0.291 0.000 2.019 275 A HA -0.087 4.233 4.320 0.000 0.000 0.219 275 A C 2.164 180.031 177.584 0.472 0.000 1.164 275 A CA 1.209 53.448 52.037 0.337 0.000 0.644 275 A CB -0.428 18.669 19.000 0.162 0.000 0.805 275 A HN 0.300 nan 8.150 nan 0.000 0.449 276 V N -0.474 119.673 119.914 0.388 0.000 2.453 276 V HA -0.187 3.933 4.120 0.000 0.000 0.247 276 V C 2.975 179.184 176.094 0.192 0.000 1.048 276 V CA 1.746 64.218 62.300 0.287 0.000 1.049 276 V CB -0.822 31.128 31.823 0.211 0.000 0.672 276 V HN 0.603 nan 8.190 nan 0.000 0.457 277 A N -1.065 121.889 122.820 0.223 0.000 1.929 277 A HA -0.219 4.101 4.320 0.000 0.000 0.216 277 A C 2.140 179.861 177.584 0.228 0.000 1.176 277 A CA 1.670 53.827 52.037 0.201 0.000 0.628 277 A CB -0.655 18.481 19.000 0.228 0.000 0.816 277 A HN 0.607 nan 8.150 nan 0.000 0.444 278 Y N 0.673 121.083 120.300 0.184 0.000 2.145 278 Y HA -0.193 4.357 4.550 0.000 0.000 0.286 278 Y C 2.451 178.394 175.900 0.072 0.000 1.145 278 Y CA 1.974 60.158 58.100 0.140 0.000 1.148 278 Y CB -0.578 38.032 38.460 0.250 0.000 0.981 278 Y HN 0.338 nan 8.280 nan 0.000 0.507 279 R N 0.381 120.871 120.500 -0.016 0.000 2.083 279 R HA -0.275 4.065 4.340 0.000 0.000 0.237 279 R C 2.506 178.704 176.300 -0.170 0.000 1.137 279 R CA 2.094 58.092 56.100 -0.170 0.000 0.951 279 R CB -0.498 29.710 30.300 -0.153 0.000 0.851 279 R HN 0.634 nan 8.270 nan 0.000 0.434 280 Q N 0.262 120.014 119.800 -0.079 0.000 2.030 280 Q HA -0.258 4.082 4.340 0.000 0.000 0.204 280 Q C 2.180 178.123 176.000 -0.095 0.000 0.986 280 Q CA 2.163 57.924 55.803 -0.070 0.000 0.843 280 Q CB -0.220 28.505 28.738 -0.021 0.000 0.904 280 Q HN 0.486 nan 8.270 nan 0.000 0.420 281 M N -0.109 119.432 119.600 -0.099 0.000 2.117 281 M HA -0.168 4.312 4.480 0.000 0.000 0.262 281 M C 2.330 178.529 176.300 -0.168 0.000 1.065 281 M CA 1.947 57.173 55.300 -0.124 0.000 1.114 281 M CB -0.136 32.383 32.600 -0.135 0.000 1.361 281 M HN 0.334 nan 8.290 nan 0.000 0.408 282 S N 0.485 116.025 115.700 -0.267 0.000 2.368 282 S HA -0.096 4.374 4.470 0.000 0.000 0.224 282 S C 1.808 176.302 174.600 -0.177 0.000 1.029 282 S CA 1.057 59.092 58.200 -0.275 0.000 0.988 282 S CB -0.405 62.480 63.200 -0.524 0.000 0.838 282 S HN 0.585 nan 8.310 nan 0.000 0.462 283 L N 0.964 122.088 121.223 -0.165 0.000 2.083 283 L HA -0.069 4.271 4.340 0.000 0.000 0.209 283 L C 2.328 179.146 176.870 -0.086 0.000 1.083 283 L CA 1.106 55.878 54.840 -0.114 0.000 0.752 283 L CB -0.476 41.518 42.059 -0.109 0.000 0.899 283 L HN 0.357 nan 8.230 nan 0.000 0.433 284 L N -0.731 120.441 121.223 -0.086 0.000 2.291 284 L HA -0.160 4.180 4.340 0.000 0.000 0.214 284 L C 2.049 178.882 176.870 -0.060 0.000 1.120 284 L CA 0.665 55.465 54.840 -0.067 0.000 0.799 284 L CB -0.156 41.865 42.059 -0.063 0.000 0.925 284 L HN 0.296 nan 8.230 nan 0.000 0.446 285 L N -0.610 120.571 121.223 -0.070 0.000 2.591 285 L HA 0.097 4.437 4.340 0.000 0.000 0.228 285 L C 0.782 177.626 176.870 -0.043 0.000 1.133 285 L CA 0.006 54.813 54.840 -0.055 0.000 0.880 285 L CB 0.040 42.063 42.059 -0.060 0.000 1.033 285 L HN 0.255 nan 8.230 nan 0.000 0.450 286 R N -0.396 120.076 120.500 -0.047 0.000 3.854 286 R HA -0.122 4.218 4.340 0.000 0.000 0.430 286 R C -0.032 176.247 176.300 -0.035 0.000 1.068 286 R CA 0.489 56.567 56.100 -0.036 0.000 1.104 286 R CB -1.699 28.586 30.300 -0.025 0.000 1.729 286 R HN 0.348 nan 8.270 nan 0.000 0.533 287 R N 1.821 122.293 120.500 -0.046 0.000 2.298 287 R HA 0.243 4.583 4.340 0.000 0.000 0.310 287 R C -2.038 174.235 176.300 -0.044 0.000 1.068 287 R CA -1.519 54.557 56.100 -0.039 0.000 0.957 287 R CB 0.486 30.759 30.300 -0.044 0.000 1.003 287 R HN -0.130 nan 8.270 nan 0.000 0.454 288 P HA 0.037 nan 4.420 nan 0.000 0.267 288 P C -2.306 174.978 177.300 -0.027 0.000 1.205 288 P CA -1.127 61.957 63.100 -0.026 0.000 0.765 288 P CB -0.017 31.675 31.700 -0.014 0.000 0.828 289 P HA 0.060 nan 4.420 nan 0.000 0.264 289 P C 0.488 177.782 177.300 -0.009 0.000 1.193 289 P CA 0.426 63.505 63.100 -0.036 0.000 0.763 289 P CB 0.668 32.339 31.700 -0.050 0.000 0.810 290 G N 2.806 111.619 108.800 0.021 0.000 2.849 290 G HA2 0.296 4.256 3.960 0.000 0.000 0.174 290 G HA3 0.296 4.256 3.960 0.000 0.000 0.174 290 G C -0.393 174.517 174.900 0.016 0.000 1.370 290 G CA -0.888 44.231 45.100 0.033 0.000 1.040 290 G HN 0.555 nan 8.290 nan 0.000 0.582 291 R N 0.359 120.852 120.500 -0.013 0.000 2.504 291 R HA 0.047 4.387 4.340 0.000 0.000 0.291 291 R C 0.214 176.501 176.300 -0.022 0.000 0.974 291 R CA 1.086 57.108 56.100 -0.129 0.000 1.077 291 R CB -0.302 29.742 30.300 -0.426 0.000 0.926 291 R HN 0.721 nan 8.270 nan 0.000 0.407 292 E N 2.542 122.726 120.200 -0.026 0.000 2.883 292 E HA -0.365 3.985 4.350 0.000 0.000 0.271 292 E C 0.403 177.009 176.600 0.010 0.000 1.049 292 E CA 0.520 56.958 56.400 0.062 0.000 0.817 292 E CB -1.115 28.728 29.700 0.237 0.000 1.407 292 E HN 0.905 nan 8.360 nan 0.000 0.434 293 A N -2.566 120.236 122.820 -0.030 0.000 3.737 293 A HA -0.309 4.011 4.320 0.000 0.000 0.260 293 A C 0.218 177.719 177.584 -0.138 0.000 1.021 293 A CA 1.637 53.607 52.037 -0.112 0.000 1.356 293 A CB -1.769 17.122 19.000 -0.181 0.000 1.043 293 A HN 0.386 nan 8.150 nan 0.000 0.877 294 Y N 0.846 121.172 120.300 0.042 0.000 2.379 294 Y HA 0.421 4.971 4.550 0.000 0.000 0.337 294 Y C -1.543 174.381 175.900 0.040 0.000 1.238 294 Y CA -1.097 57.040 58.100 0.062 0.000 1.405 294 Y CB 0.001 38.563 38.460 0.170 0.000 1.310 294 Y HN 0.201 nan 8.280 nan 0.000 0.569 295 P HA -0.028 nan 4.420 nan 0.000 0.269 295 P C 0.676 178.093 177.300 0.196 0.000 1.217 295 P CA 0.324 63.468 63.100 0.073 0.000 0.783 295 P CB 0.587 32.230 31.700 -0.097 0.000 0.898 296 G N 0.988 109.882 108.800 0.157 0.000 2.708 296 G HA2 -0.134 3.826 3.960 0.000 0.000 0.210 296 G HA3 -0.134 3.826 3.960 0.000 0.000 0.210 296 G C 0.176 175.215 174.900 0.231 0.000 1.141 296 G CA 0.298 45.504 45.100 0.175 0.000 0.788 296 G HN 0.625 nan 8.290 nan 0.000 0.531 297 D N 0.175 120.750 120.400 0.291 0.000 2.788 297 D HA 0.104 4.744 4.640 0.000 0.000 0.289 297 D C 1.592 178.095 176.300 0.338 0.000 1.340 297 D CA -0.427 53.774 54.000 0.336 0.000 0.831 297 D CB -0.024 40.992 40.800 0.360 0.000 1.103 297 D HN 0.108 nan 8.370 nan 0.000 0.476 298 V N -0.811 119.283 119.914 0.301 0.000 2.490 298 V HA -0.183 3.937 4.120 0.000 0.000 0.250 298 V C 2.160 178.227 176.094 -0.045 0.000 1.061 298 V CA 1.260 63.639 62.300 0.133 0.000 1.064 298 V CB -1.214 30.641 31.823 0.052 0.000 0.670 298 V HN 0.281 nan 8.190 nan 0.000 0.461 299 F N 0.645 120.578 119.950 -0.027 0.000 2.113 299 F HA -0.177 4.350 4.527 0.000 0.000 0.297 299 F C 2.371 178.203 175.800 0.053 0.000 1.103 299 F CA 1.755 59.742 58.000 -0.023 0.000 1.248 299 F CB -0.526 38.479 39.000 0.009 0.000 0.999 299 F HN 0.159 nan 8.300 nan 0.000 0.475 300 Y N 0.845 121.138 120.300 -0.011 0.000 2.274 300 Y HA -0.185 4.365 4.550 0.000 0.000 0.290 300 Y C 2.145 177.946 175.900 -0.166 0.000 1.145 300 Y CA 1.592 59.642 58.100 -0.083 0.000 1.203 300 Y CB -0.876 37.634 38.460 0.083 0.000 0.984 300 Y HN 0.273 nan 8.280 nan 0.000 0.533 301 L N -0.221 120.839 121.223 -0.270 0.000 1.990 301 L HA -0.274 4.066 4.340 0.000 0.000 0.213 301 L C 2.182 178.858 176.870 -0.324 0.000 1.072 301 L CA 2.446 57.037 54.840 -0.416 0.000 0.755 301 L CB -0.933 40.806 42.059 -0.534 0.000 0.889 301 L HN 0.353 nan 8.230 nan 0.000 0.432 302 H N -1.648 117.220 119.070 -0.336 0.000 2.448 302 H HA -0.031 4.525 4.556 0.000 0.000 0.292 302 H C 2.402 177.478 175.328 -0.419 0.000 1.035 302 H CA 0.795 56.615 56.048 -0.379 0.000 1.349 302 H CB 0.083 29.644 29.762 -0.336 0.000 1.425 302 H HN 0.577 nan 8.280 nan 0.000 0.539 303 S N 1.145 116.583 115.700 -0.437 0.000 2.356 303 S HA -0.225 4.245 4.470 0.000 0.000 0.223 303 S C 2.119 176.578 174.600 -0.236 0.000 1.032 303 S CA 1.118 59.040 58.200 -0.463 0.000 1.005 303 S CB -0.162 62.540 63.200 -0.831 0.000 0.867 303 S HN 0.321 nan 8.310 nan 0.000 0.449 304 R N 0.321 120.657 120.500 -0.272 0.000 2.091 304 R HA -0.064 4.276 4.340 0.000 0.000 0.238 304 R C 2.425 178.660 176.300 -0.109 0.000 1.136 304 R CA 1.587 57.556 56.100 -0.218 0.000 0.959 304 R CB -0.531 29.462 30.300 -0.511 0.000 0.856 304 R HN 0.514 nan 8.270 nan 0.000 0.437 305 L N 0.723 121.877 121.223 -0.114 0.000 1.988 305 L HA -0.095 4.245 4.340 0.000 0.000 0.207 305 L C 1.943 178.734 176.870 -0.132 0.000 1.071 305 L CA 1.719 56.481 54.840 -0.130 0.000 0.744 305 L CB -0.442 41.364 42.059 -0.421 0.000 0.893 305 L HN 0.218 nan 8.230 nan 0.000 0.433 306 L N -0.540 120.587 121.223 -0.161 0.000 2.275 306 L HA -0.114 4.226 4.340 0.000 0.000 0.215 306 L C 2.529 179.381 176.870 -0.029 0.000 1.119 306 L CA 0.745 55.534 54.840 -0.085 0.000 0.790 306 L CB -0.610 41.383 42.059 -0.110 0.000 0.919 306 L HN 0.369 nan 8.230 nan 0.000 0.443 307 E N 0.384 120.562 120.200 -0.037 0.000 2.208 307 E HA -0.159 4.191 4.350 0.000 0.000 0.193 307 E C 2.171 178.774 176.600 0.005 0.000 0.988 307 E CA 0.650 57.044 56.400 -0.009 0.000 0.828 307 E CB 0.046 29.744 29.700 -0.003 0.000 0.763 307 E HN 0.469 nan 8.360 nan 0.000 0.478 308 R N 0.622 121.128 120.500 0.011 0.000 2.249 308 R HA -0.033 4.307 4.340 0.000 0.000 0.230 308 R C 0.894 177.221 176.300 0.044 0.000 1.121 308 R CA 0.564 56.681 56.100 0.030 0.000 0.997 308 R CB -0.109 30.219 30.300 0.046 0.000 0.867 308 R HN -0.058 nan 8.270 nan 0.000 0.465 309 A N 0.870 123.719 122.820 0.048 0.000 2.366 309 A HA 0.666 4.986 4.320 0.000 0.000 0.272 309 A C -0.225 177.377 177.584 0.031 0.000 1.135 309 A CA 0.011 52.079 52.037 0.053 0.000 0.804 309 A CB 0.710 19.747 19.000 0.062 0.000 1.064 309 A HN 0.281 nan 8.150 nan 0.000 0.499 310 A N 1.947 124.785 122.820 0.031 0.000 2.566 310 A HA 0.672 4.992 4.320 0.000 0.000 0.290 310 A C -1.024 176.573 177.584 0.023 0.000 1.071 310 A CA -0.732 51.314 52.037 0.014 0.000 0.658 310 A CB 0.778 19.775 19.000 -0.005 0.000 1.285 310 A HN 0.873 nan 8.150 nan 0.000 0.427 311 K N 1.322 121.727 120.400 0.009 0.000 2.240 311 K HA 0.620 4.941 4.320 0.000 0.000 0.271 311 K C -0.581 176.023 176.600 0.006 0.000 1.018 311 K CA -0.270 56.030 56.287 0.021 0.000 0.874 311 K CB 0.417 32.923 32.500 0.010 0.000 1.098 311 K HN 0.592 nan 8.250 nan 0.000 0.458 312 M N 3.186 122.805 119.600 0.032 0.000 2.314 312 M HA 0.235 4.715 4.480 0.000 0.000 0.342 312 M C 0.203 176.537 176.300 0.057 0.000 1.171 312 M CA -0.898 54.411 55.300 0.015 0.000 1.098 312 M CB 0.580 33.214 32.600 0.057 0.000 1.559 312 M HN 0.724 nan 8.290 nan 0.000 0.459 313 N N 1.058 119.797 118.700 0.065 0.000 2.347 313 N HA 0.079 4.819 4.740 0.000 0.000 0.253 313 N C 0.151 175.748 175.510 0.145 0.000 1.274 313 N CA -0.212 52.899 53.050 0.102 0.000 0.941 313 N CB 0.505 39.056 38.487 0.107 0.000 1.200 313 N HN 0.423 nan 8.380 nan 0.000 0.514 314 D N -0.341 120.121 120.400 0.104 0.000 2.117 314 D HA -0.141 4.499 4.640 0.000 0.000 0.197 314 D C 1.718 178.065 176.300 0.079 0.000 0.987 314 D CA 1.889 55.936 54.000 0.078 0.000 0.829 314 D CB -0.668 40.162 40.800 0.050 0.000 0.961 314 D HN 0.725 nan 8.370 nan 0.000 0.460 315 A N -0.131 122.750 122.820 0.100 0.000 2.084 315 A HA -0.170 4.150 4.320 0.000 0.000 0.221 315 A C 1.512 179.076 177.584 -0.034 0.000 1.161 315 A CA 1.025 53.081 52.037 0.032 0.000 0.653 315 A CB -0.634 18.407 19.000 0.069 0.000 0.802 315 A HN 0.185 nan 8.150 nan 0.000 0.457 316 F N -1.610 118.337 119.950 -0.006 0.000 2.639 316 F HA 0.416 4.943 4.527 0.000 0.000 0.302 316 F C 1.676 177.463 175.800 -0.021 0.000 1.097 316 F CA 0.552 58.546 58.000 -0.011 0.000 1.294 316 F CB 0.731 39.728 39.000 -0.006 0.000 1.027 316 F HN 0.338 nan 8.300 nan 0.000 0.550 317 G N -0.627 108.233 108.800 0.101 0.000 2.253 317 G HA2 -0.110 3.850 3.960 0.000 0.000 0.209 317 G HA3 -0.110 3.850 3.960 0.000 0.000 0.209 317 G C 1.255 176.178 174.900 0.038 0.000 0.997 317 G CA -0.167 44.955 45.100 0.037 0.000 0.640 317 G HN 0.965 nan 8.290 nan 0.000 0.496 318 G N -0.176 108.674 108.800 0.082 0.000 2.166 318 G HA2 0.152 4.112 3.960 0.000 0.000 0.260 318 G HA3 0.152 4.112 3.960 0.000 0.000 0.260 318 G C 1.504 176.461 174.900 0.096 0.000 0.986 318 G CA 1.194 46.348 45.100 0.091 0.000 0.683 318 G HN 2.078 nan 8.290 nan 0.000 0.527 319 G N -0.628 108.186 108.800 0.024 0.000 2.653 319 G HA2 0.729 4.689 3.960 0.000 0.000 0.265 319 G HA3 0.729 4.689 3.960 0.000 0.000 0.265 319 G C 0.323 175.304 174.900 0.136 0.000 1.237 319 G CA 0.999 46.074 45.100 -0.042 0.000 0.946 319 G HN 1.930 nan 8.290 nan 0.000 0.522 320 S N -1.899 113.926 115.700 0.209 0.000 2.567 320 S HA 0.542 5.012 4.470 0.000 0.000 0.270 320 S C -1.698 173.002 174.600 0.166 0.000 1.152 320 S CA -0.807 57.512 58.200 0.198 0.000 0.835 320 S CB 1.759 65.096 63.200 0.229 0.000 1.115 320 S HN 1.223 nan 8.310 nan 0.000 0.459 321 L N 1.573 122.862 121.223 0.109 0.000 2.376 321 L HA 0.778 5.118 4.340 0.000 0.000 0.275 321 L C -0.796 176.107 176.870 0.055 0.000 0.987 321 L CA 0.222 55.118 54.840 0.094 0.000 0.828 321 L CB 1.828 43.946 42.059 0.099 0.000 1.249 321 L HN 0.934 nan 8.230 nan 0.000 0.409 322 T N 4.429 119.003 114.554 0.033 0.000 2.794 322 T HA 0.845 5.195 4.350 0.000 0.000 0.280 322 T C -0.339 174.351 174.700 -0.017 0.000 0.987 322 T CA -0.268 61.835 62.100 0.006 0.000 0.993 322 T CB 1.406 70.269 68.868 -0.009 0.000 0.939 322 T HN 0.811 nan 8.240 nan 0.000 0.449 323 A N 3.359 126.176 122.820 -0.005 0.000 2.330 323 A HA 0.800 5.120 4.320 0.000 0.000 0.327 323 A C -0.563 177.010 177.584 -0.018 0.000 1.155 323 A CA -0.733 51.292 52.037 -0.020 0.000 0.803 323 A CB 0.619 19.678 19.000 0.098 0.000 1.208 323 A HN 0.866 nan 8.150 nan 0.000 0.477 324 L N 4.099 125.282 121.223 -0.067 0.000 2.457 324 L HA 0.315 4.655 4.340 0.000 0.000 0.252 324 L C -2.433 174.430 176.870 -0.012 0.000 1.132 324 L CA -1.764 53.057 54.840 -0.032 0.000 0.938 324 L CB 1.603 43.642 42.059 -0.035 0.000 1.246 324 L HN 0.475 nan 8.230 nan 0.000 0.476 325 P HA 0.130 nan 4.420 nan 0.000 0.271 325 P C -0.462 176.836 177.300 -0.002 0.000 1.218 325 P CA -0.066 63.080 63.100 0.077 0.000 0.780 325 P CB 1.774 33.464 31.700 -0.016 0.000 0.901 326 V N 4.405 124.307 119.914 -0.020 0.000 2.628 326 V HA 0.466 4.586 4.120 0.000 0.000 0.306 326 V C 0.229 176.303 176.094 -0.034 0.000 1.045 326 V CA -0.581 61.710 62.300 -0.015 0.000 0.905 326 V CB 1.850 33.670 31.823 -0.004 0.000 0.997 326 V HN 0.422 nan 8.190 nan 0.000 0.436 327 I N 3.163 123.729 120.570 -0.008 0.000 2.569 327 I HA 0.395 4.565 4.170 0.000 0.000 0.290 327 I C -0.212 175.926 176.117 0.034 0.000 1.088 327 I CA -0.364 60.933 61.300 -0.006 0.000 1.047 327 I CB 2.191 40.177 38.000 -0.023 0.000 1.237 327 I HN 0.743 nan 8.210 nan 0.000 0.421 328 E N 5.323 125.547 120.200 0.040 0.000 2.115 328 E HA 0.346 4.696 4.350 0.000 0.000 0.282 328 E C -0.447 176.196 176.600 0.073 0.000 0.987 328 E CA -0.311 56.123 56.400 0.056 0.000 0.797 328 E CB 1.116 30.847 29.700 0.051 0.000 1.086 328 E HN 0.699 nan 8.360 nan 0.000 0.397 329 T N 1.909 116.520 114.554 0.095 0.000 2.847 329 T HA 0.317 4.667 4.350 0.000 0.000 0.279 329 T C 0.037 174.796 174.700 0.098 0.000 0.984 329 T CA -0.954 61.209 62.100 0.106 0.000 0.988 329 T CB 1.507 70.470 68.868 0.158 0.000 1.040 329 T HN 0.325 nan 8.240 nan 0.000 0.528 330 Q N 0.187 120.045 119.800 0.096 0.000 2.331 330 Q HA 0.558 4.898 4.340 0.000 0.000 0.267 330 Q C 0.376 176.429 176.000 0.089 0.000 1.006 330 Q CA -0.185 55.669 55.803 0.085 0.000 0.818 330 Q CB 1.422 30.210 28.738 0.082 0.000 1.276 330 Q HN 1.256 nan 8.270 nan 0.000 0.450 331 A N 2.098 124.967 122.820 0.082 0.000 2.822 331 A HA -0.153 4.167 4.320 0.000 0.000 0.287 331 A C 1.033 178.683 177.584 0.110 0.000 1.479 331 A CA 1.235 53.322 52.037 0.084 0.000 0.779 331 A CB -2.204 16.839 19.000 0.071 0.000 1.022 331 A HN 1.602 nan 8.150 nan 0.000 0.532 332 G N -0.921 107.966 108.800 0.145 0.000 2.341 332 G HA2 -0.137 3.823 3.960 0.000 0.000 0.292 332 G HA3 -0.137 3.823 3.960 0.000 0.000 0.292 332 G C -0.142 174.898 174.900 0.233 0.000 1.021 332 G CA 1.161 46.411 45.100 0.250 0.000 0.905 332 G HN 1.808 nan 8.290 nan 0.000 0.508 333 D N -0.145 120.335 120.400 0.133 0.000 2.493 333 D HA 0.431 5.071 4.640 0.000 0.000 0.235 333 D C 1.706 177.986 176.300 -0.034 0.000 1.117 333 D CA 0.003 54.033 54.000 0.050 0.000 0.930 333 D CB 0.536 41.368 40.800 0.054 0.000 1.010 333 D HN 0.303 nan 8.370 nan 0.000 0.514 334 V N 1.119 120.909 119.914 -0.207 0.000 2.867 334 V HA -0.123 3.997 4.120 0.000 0.000 0.260 334 V C 1.792 177.773 176.094 -0.188 0.000 1.099 334 V CA 1.250 63.335 62.300 -0.358 0.000 1.122 334 V CB -0.673 30.670 31.823 -0.800 0.000 0.708 334 V HN 0.342 nan 8.190 nan 0.000 0.490 335 S N 0.422 116.053 115.700 -0.115 0.000 2.527 335 S HA 0.422 4.892 4.470 0.000 0.000 0.222 335 S C 1.322 175.921 174.600 -0.001 0.000 0.985 335 S CA 0.437 58.605 58.200 -0.054 0.000 0.921 335 S CB -0.242 62.940 63.200 -0.030 0.000 0.772 335 S HN 0.813 nan 8.310 nan 0.000 0.529 336 A N 0.937 123.767 122.820 0.017 0.000 2.409 336 A HA 0.305 4.625 4.320 0.000 0.000 0.246 336 A C 0.953 178.599 177.584 0.104 0.000 1.099 336 A CA -0.127 51.955 52.037 0.075 0.000 0.789 336 A CB -0.262 18.789 19.000 0.084 0.000 1.053 336 A HN 0.341 nan 8.150 nan 0.000 0.503 337 Y N 0.737 121.047 120.300 0.016 0.000 2.030 337 Y HA -0.251 4.299 4.550 0.000 0.000 0.274 337 Y C 1.845 177.751 175.900 0.011 0.000 1.153 337 Y CA 2.555 60.666 58.100 0.018 0.000 1.115 337 Y CB -0.602 37.878 38.460 0.034 0.000 0.969 337 Y HN 0.496 nan 8.280 nan 0.000 0.488 338 I N 0.427 120.935 120.570 -0.102 0.000 2.163 338 I HA -0.246 3.924 4.170 0.000 0.000 0.243 338 I C -0.721 175.317 176.117 -0.131 0.000 1.085 338 I CA 1.671 62.829 61.300 -0.237 0.000 1.347 338 I CB -1.759 36.115 38.000 -0.210 0.000 1.044 338 I HN 0.242 nan 8.210 nan 0.000 0.408 339 P HA -0.186 nan 4.420 nan 0.000 0.214 339 P C 1.731 178.997 177.300 -0.057 0.000 1.163 339 P CA 2.349 65.419 63.100 -0.049 0.000 0.889 339 P CB -0.478 31.197 31.700 -0.041 0.000 0.790 340 T N -3.838 110.683 114.554 -0.056 0.000 2.915 340 T HA -0.106 4.245 4.350 0.000 0.000 0.269 340 T C 1.690 176.374 174.700 -0.026 0.000 1.071 340 T CA 1.168 63.244 62.100 -0.040 0.000 1.132 340 T CB -1.067 67.788 68.868 -0.021 0.000 0.878 340 T HN -0.038 nan 8.240 nan 0.000 0.479 341 N N 1.431 120.087 118.700 -0.073 0.000 2.058 341 N HA -0.039 4.701 4.740 0.000 0.000 0.191 341 N C 1.955 177.534 175.510 0.114 0.000 1.037 341 N CA 1.251 54.317 53.050 0.027 0.000 0.848 341 N CB -0.799 37.643 38.487 -0.075 0.000 1.021 341 N HN 0.345 nan 8.380 nan 0.000 0.422 342 V N 1.451 121.376 119.914 0.019 0.000 2.427 342 V HA -0.102 4.018 4.120 0.000 0.000 0.248 342 V C 2.196 178.288 176.094 -0.003 0.000 1.051 342 V CA 0.986 63.278 62.300 -0.015 0.000 1.048 342 V CB -0.431 31.344 31.823 -0.080 0.000 0.666 342 V HN 0.247 nan 8.190 nan 0.000 0.456 343 I N 1.441 122.010 120.570 -0.002 0.000 2.335 343 I HA -0.203 3.967 4.170 0.000 0.000 0.251 343 I C 2.348 178.485 176.117 0.033 0.000 1.129 343 I CA 1.863 63.164 61.300 0.002 0.000 1.402 343 I CB -0.402 37.587 38.000 -0.018 0.000 1.069 343 I HN 0.489 nan 8.210 nan 0.000 0.424 344 S N -0.177 115.567 115.700 0.073 0.000 2.720 344 S HA 0.145 4.615 4.470 0.000 0.000 0.222 344 S C 1.396 176.107 174.600 0.184 0.000 0.958 344 S CA 0.171 58.441 58.200 0.116 0.000 0.943 344 S CB -0.313 62.955 63.200 0.114 0.000 0.779 344 S HN 0.428 nan 8.310 nan 0.000 0.526 345 I N 1.114 121.752 120.570 0.115 0.000 3.345 345 I HA 0.071 4.241 4.170 0.000 0.000 0.258 345 I C 1.491 177.622 176.117 0.024 0.000 1.134 345 I CA 0.549 61.886 61.300 0.061 0.000 1.457 345 I CB -0.313 37.654 38.000 -0.054 0.000 1.425 345 I HN 0.367 nan 8.210 nan 0.000 0.461 346 T N -1.147 113.411 114.554 0.006 0.000 2.701 346 T HA 0.029 4.379 4.350 0.000 0.000 0.303 346 T C 0.192 174.899 174.700 0.013 0.000 1.030 346 T CA -0.255 61.846 62.100 0.003 0.000 1.010 346 T CB 0.495 69.360 68.868 -0.005 0.000 1.007 346 T HN 0.092 nan 8.240 nan 0.000 0.532 347 D N 0.946 121.352 120.400 0.010 0.000 3.071 347 D HA 0.446 5.087 4.640 0.000 0.000 0.259 347 D C 0.841 177.148 176.300 0.011 0.000 1.331 347 D CA 0.107 54.114 54.000 0.011 0.000 0.861 347 D CB -0.297 40.508 40.800 0.008 0.000 1.059 347 D HN 1.007 nan 8.370 nan 0.000 0.486 348 G N 0.940 109.748 108.800 0.013 0.000 2.347 348 G HA2 0.123 4.083 3.960 0.000 0.000 0.477 348 G HA3 0.123 4.083 3.960 0.000 0.000 0.477 348 G C -1.715 173.196 174.900 0.020 0.000 1.349 348 G CA -1.052 44.057 45.100 0.016 0.000 1.000 348 G HN 0.134 nan 8.290 nan 0.000 0.605 349 Q N -1.143 118.675 119.800 0.030 0.000 2.377 349 Q HA 0.700 5.040 4.340 0.000 0.000 0.279 349 Q C -0.672 175.371 176.000 0.072 0.000 1.049 349 Q CA -0.643 55.187 55.803 0.045 0.000 0.825 349 Q CB 2.647 31.412 28.738 0.044 0.000 1.401 349 Q HN 0.647 nan 8.270 nan 0.000 0.404 350 I N 2.339 122.961 120.570 0.087 0.000 2.371 350 I HA 0.325 4.495 4.170 0.000 0.000 0.282 350 I C -1.086 175.132 176.117 0.169 0.000 1.031 350 I CA -0.680 60.679 61.300 0.099 0.000 1.180 350 I CB 0.456 38.491 38.000 0.059 0.000 1.336 350 I HN 0.526 nan 8.210 nan 0.000 0.467 351 F N 8.127 128.085 119.950 0.013 0.000 2.411 351 F HA 0.537 5.064 4.527 0.000 0.000 0.355 351 F C -0.681 175.130 175.800 0.018 0.000 1.117 351 F CA -0.637 57.371 58.000 0.014 0.000 1.139 351 F CB 0.620 39.629 39.000 0.015 0.000 1.120 351 F HN 0.197 nan 8.300 nan 0.000 0.493 352 L N 5.469 126.457 121.223 -0.392 0.000 2.344 352 L HA 0.569 4.909 4.340 0.000 0.000 0.272 352 L C -0.609 175.850 176.870 -0.685 0.000 1.035 352 L CA -0.789 53.810 54.840 -0.402 0.000 0.807 352 L CB 1.799 43.758 42.059 -0.167 0.000 1.237 352 L HN 0.532 nan 8.230 nan 0.000 0.442 353 E N -0.750 119.186 120.200 -0.439 0.000 2.314 353 E HA 0.175 4.525 4.350 0.000 0.000 0.272 353 E C 0.037 176.547 176.600 -0.151 0.000 0.884 353 E CA -0.308 55.891 56.400 -0.336 0.000 0.753 353 E CB 2.308 31.830 29.700 -0.297 0.000 1.213 353 E HN 0.746 nan 8.360 nan 0.000 0.432 354 T N -1.043 113.435 114.554 -0.127 0.000 2.821 354 T HA -0.218 4.132 4.350 0.000 0.000 0.267 354 T C 1.544 176.248 174.700 0.006 0.000 1.046 354 T CA 1.510 63.525 62.100 -0.141 0.000 1.139 354 T CB 0.014 68.838 68.868 -0.072 0.000 0.871 354 T HN 0.587 nan 8.240 nan 0.000 0.454 355 E N 1.051 121.291 120.200 0.066 0.000 2.058 355 E HA -0.132 4.218 4.350 0.000 0.000 0.194 355 E C 2.269 178.926 176.600 0.096 0.000 0.997 355 E CA 1.184 57.655 56.400 0.118 0.000 0.801 355 E CB -0.340 29.408 29.700 0.080 0.000 0.746 355 E HN 0.597 nan 8.360 nan 0.000 0.450 356 L N -0.041 121.205 121.223 0.038 0.000 2.046 356 L HA -0.140 4.200 4.340 0.000 0.000 0.208 356 L C 2.589 179.470 176.870 0.018 0.000 1.077 356 L CA 1.145 55.996 54.840 0.019 0.000 0.747 356 L CB -0.574 41.474 42.059 -0.018 0.000 0.896 356 L HN 0.215 nan 8.230 nan 0.000 0.432 357 F N 0.206 120.062 119.950 -0.157 0.000 2.069 357 F HA -0.305 4.222 4.527 0.000 0.000 0.298 357 F C 2.417 178.122 175.800 -0.157 0.000 1.113 357 F CA 1.731 59.594 58.000 -0.228 0.000 1.214 357 F CB -0.389 38.360 39.000 -0.418 0.000 0.978 357 F HN -0.053 nan 8.300 nan 0.000 0.474 358 Y N 0.407 120.863 120.300 0.259 0.000 2.293 358 Y HA -0.087 4.463 4.550 0.000 0.000 0.291 358 Y C 2.227 178.149 175.900 0.038 0.000 1.137 358 Y CA 1.151 59.342 58.100 0.153 0.000 1.202 358 Y CB -0.919 37.633 38.460 0.153 0.000 0.990 358 Y HN 0.044 nan 8.280 nan 0.000 0.537 359 K N -0.736 119.759 120.400 0.158 0.000 2.515 359 K HA 0.051 4.371 4.320 0.000 0.000 0.196 359 K C 1.424 178.035 176.600 0.019 0.000 1.038 359 K CA 0.794 57.129 56.287 0.080 0.000 0.967 359 K CB -0.248 32.289 32.500 0.062 0.000 0.780 359 K HN 0.461 nan 8.250 nan 0.000 0.483 360 G N 0.871 109.645 108.800 -0.044 0.000 2.179 360 G HA2 -0.171 3.789 3.960 0.000 0.000 0.220 360 G HA3 -0.171 3.789 3.960 0.000 0.000 0.220 360 G C 0.014 174.838 174.900 -0.126 0.000 0.990 360 G CA -0.487 44.551 45.100 -0.103 0.000 0.646 360 G HN 0.116 nan 8.290 nan 0.000 0.517 361 I N 2.101 122.607 120.570 -0.106 0.000 2.372 361 I HA 0.333 4.503 4.170 0.000 0.000 0.298 361 I C 0.727 176.748 176.117 -0.160 0.000 1.137 361 I CA 0.392 61.638 61.300 -0.091 0.000 1.314 361 I CB -0.433 37.543 38.000 -0.040 0.000 1.444 361 I HN 0.153 nan 8.210 nan 0.000 0.541 362 R N 7.418 127.808 120.500 -0.183 0.000 2.532 362 R HA 0.442 4.782 4.340 0.000 0.000 0.297 362 R C -2.577 173.651 176.300 -0.119 0.000 0.984 362 R CA -1.710 54.260 56.100 -0.216 0.000 0.884 362 R CB 2.467 32.542 30.300 -0.376 0.000 1.182 362 R HN 0.259 nan 8.270 nan 0.000 0.442 363 P HA 0.004 nan 4.420 nan 0.000 0.268 363 P C -0.189 177.086 177.300 -0.041 0.000 1.205 363 P CA -0.128 62.942 63.100 -0.050 0.000 0.771 363 P CB 0.839 32.524 31.700 -0.025 0.000 0.858 364 A N 4.521 127.338 122.820 -0.005 0.000 2.626 364 A HA 0.091 4.411 4.320 0.000 0.000 0.238 364 A C 0.943 178.493 177.584 -0.057 0.000 1.641 364 A CA -0.193 51.834 52.037 -0.016 0.000 1.449 364 A CB -1.557 17.478 19.000 0.057 0.000 0.888 364 A HN 0.473 nan 8.150 nan 0.000 0.628 365 I N 1.155 121.704 120.570 -0.035 0.000 2.556 365 I HA -0.005 4.165 4.170 0.000 0.000 0.284 365 I C 0.483 176.592 176.117 -0.013 0.000 1.114 365 I CA -0.176 61.110 61.300 -0.023 0.000 1.418 365 I CB 0.501 38.503 38.000 0.003 0.000 1.394 365 I HN 0.384 nan 8.210 nan 0.000 0.552 366 N N 6.878 125.576 118.700 -0.002 0.000 2.500 366 N HA 0.116 4.856 4.740 0.000 0.000 0.236 366 N C 0.633 176.200 175.510 0.096 0.000 1.022 366 N CA -0.215 52.866 53.050 0.052 0.000 0.935 366 N CB 1.515 40.055 38.487 0.090 0.000 1.147 366 N HN 0.394 nan 8.380 nan 0.000 0.512 367 V N 3.926 123.883 119.914 0.072 0.000 2.252 367 V HA -0.208 3.912 4.120 0.000 0.000 0.249 367 V C 2.442 178.581 176.094 0.075 0.000 1.056 367 V CA 2.443 64.785 62.300 0.069 0.000 1.022 367 V CB -1.053 30.808 31.823 0.064 0.000 0.641 367 V HN 0.749 nan 8.190 nan 0.000 0.445 368 G N -0.529 108.316 108.800 0.075 0.000 2.442 368 G HA2 -0.204 3.756 3.960 0.000 0.000 0.219 368 G HA3 -0.204 3.756 3.960 0.000 0.000 0.219 368 G C 1.533 176.475 174.900 0.070 0.000 1.141 368 G CA 0.980 46.118 45.100 0.064 0.000 0.763 368 G HN 0.497 nan 8.290 nan 0.000 0.554 369 L N 0.669 121.958 121.223 0.110 0.000 2.446 369 L HA 0.166 4.506 4.340 0.000 0.000 0.219 369 L C 1.067 177.996 176.870 0.100 0.000 1.116 369 L CA -0.176 54.728 54.840 0.106 0.000 0.844 369 L CB 0.011 42.182 42.059 0.188 0.000 0.970 369 L HN 0.038 nan 8.230 nan 0.000 0.457 370 S N -0.067 115.705 115.700 0.119 0.000 2.617 370 S HA 0.529 4.999 4.470 0.000 0.000 0.269 370 S C -0.174 174.461 174.600 0.058 0.000 1.292 370 S CA -0.565 57.695 58.200 0.099 0.000 1.010 370 S CB 2.020 65.281 63.200 0.102 0.000 0.944 370 S HN 0.103 nan 8.310 nan 0.000 0.536 371 V N -1.139 118.801 119.914 0.044 0.000 3.216 371 V HA 0.904 5.024 4.120 0.000 0.000 0.302 371 V C -0.748 175.360 176.094 0.025 0.000 1.286 371 V CA -0.798 61.520 62.300 0.030 0.000 1.048 371 V CB 1.736 33.571 31.823 0.021 0.000 1.081 371 V HN 0.745 nan 8.190 nan 0.000 0.442 372 S N 0.612 116.323 115.700 0.018 0.000 2.532 372 S HA 0.612 5.082 4.470 0.000 0.000 0.299 372 S C 0.218 174.824 174.600 0.010 0.000 1.105 372 S CA -0.804 57.404 58.200 0.013 0.000 1.018 372 S CB 1.882 65.088 63.200 0.011 0.000 1.021 372 S HN 0.863 nan 8.310 nan 0.000 0.483 373 R N 3.184 123.689 120.500 0.008 0.000 2.388 373 R HA 0.235 4.575 4.340 0.000 0.000 0.247 373 R C 0.484 176.787 176.300 0.004 0.000 0.931 373 R CA 0.146 56.250 56.100 0.007 0.000 1.082 373 R CB 0.173 30.479 30.300 0.009 0.000 1.135 373 R HN 0.474 nan 8.270 nan 0.000 0.525 374 V N -0.722 119.193 119.914 0.002 0.000 3.455 374 V HA 0.201 4.321 4.120 0.000 0.000 0.250 374 V C 1.355 177.447 176.094 -0.003 0.000 1.230 374 V CA 0.753 63.051 62.300 -0.003 0.000 1.105 374 V CB 0.413 32.232 31.823 -0.007 0.000 0.850 374 V HN 0.582 nan 8.190 nan 0.000 0.461 375 G N 1.752 110.552 108.800 -0.001 0.000 2.574 375 G HA2 -0.388 3.572 3.960 0.000 0.000 0.282 375 G HA3 -0.388 3.572 3.960 0.000 0.000 0.282 375 G C 1.169 176.066 174.900 -0.004 0.000 1.257 375 G CA 1.108 46.208 45.100 -0.001 0.000 0.956 375 G HN 0.943 nan 8.290 nan 0.000 0.560 376 S N -0.122 115.575 115.700 -0.004 0.000 2.442 376 S HA 0.155 4.625 4.470 0.000 0.000 0.236 376 S C 2.582 177.176 174.600 -0.009 0.000 1.007 376 S CA 1.801 59.998 58.200 -0.005 0.000 0.965 376 S CB -0.505 62.693 63.200 -0.003 0.000 0.773 376 S HN 2.132 nan 8.310 nan 0.000 0.504 377 A N 1.156 123.970 122.820 -0.010 0.000 2.194 377 A HA 0.317 4.637 4.320 0.000 0.000 0.220 377 A C 2.096 179.667 177.584 -0.023 0.000 1.162 377 A CA 1.404 53.432 52.037 -0.015 0.000 0.674 377 A CB -0.862 18.131 19.000 -0.013 0.000 0.789 377 A HN 0.962 nan 8.150 nan 0.000 0.470 378 A N -1.573 121.233 122.820 -0.023 0.000 2.431 378 A HA 0.378 4.698 4.320 0.000 0.000 0.239 378 A C 0.644 178.208 177.584 -0.034 0.000 1.230 378 A CA -0.251 51.766 52.037 -0.034 0.000 0.928 378 A CB 0.161 19.142 19.000 -0.030 0.000 1.006 378 A HN 0.570 nan 8.150 nan 0.000 0.520 379 Q N 0.603 120.389 119.800 -0.023 0.000 2.266 379 Q HA 0.448 4.788 4.340 0.000 0.000 0.261 379 Q C 0.028 176.017 176.000 -0.018 0.000 0.985 379 Q CA -0.511 55.281 55.803 -0.017 0.000 0.873 379 Q CB 1.609 30.344 28.738 -0.006 0.000 1.306 379 Q HN 0.441 nan 8.270 nan 0.000 0.447 380 T N -1.024 113.521 114.554 -0.016 0.000 2.856 380 T HA 0.102 4.452 4.350 0.000 0.000 0.306 380 T C 0.957 175.656 174.700 -0.001 0.000 1.062 380 T CA -0.391 61.702 62.100 -0.012 0.000 1.083 380 T CB 0.766 69.630 68.868 -0.007 0.000 0.984 380 T HN 0.516 nan 8.240 nan 0.000 0.542 381 R N 1.615 122.115 120.500 0.001 0.000 2.091 381 R HA 0.008 4.348 4.340 0.000 0.000 0.238 381 R C 2.801 179.112 176.300 0.019 0.000 1.136 381 R CA 1.873 57.978 56.100 0.008 0.000 0.959 381 R CB -1.443 28.861 30.300 0.007 0.000 0.856 381 R HN 0.873 nan 8.270 nan 0.000 0.437 382 A N 0.443 123.276 122.820 0.021 0.000 1.859 382 A HA -0.260 4.060 4.320 0.000 0.000 0.217 382 A C 2.137 179.748 177.584 0.044 0.000 1.198 382 A CA 2.033 54.092 52.037 0.037 0.000 0.629 382 A CB -0.623 18.395 19.000 0.030 0.000 0.830 382 A HN 0.322 nan 8.150 nan 0.000 0.446 383 M N 0.026 119.645 119.600 0.032 0.000 2.149 383 M HA -0.128 4.352 4.480 0.000 0.000 0.261 383 M C 1.925 178.240 176.300 0.026 0.000 1.064 383 M CA 2.257 57.577 55.300 0.032 0.000 1.102 383 M CB -0.488 32.126 32.600 0.023 0.000 1.369 383 M HN 0.460 nan 8.290 nan 0.000 0.408 384 K N -0.527 119.884 120.400 0.018 0.000 2.097 384 K HA -0.210 4.110 4.320 0.000 0.000 0.206 384 K C 1.914 178.522 176.600 0.014 0.000 1.049 384 K CA 1.790 58.084 56.287 0.012 0.000 0.933 384 K CB -0.150 32.354 32.500 0.006 0.000 0.717 384 K HN 0.568 nan 8.250 nan 0.000 0.442 385 Q N 0.081 119.896 119.800 0.025 0.000 2.170 385 Q HA -0.133 4.208 4.340 0.000 0.000 0.203 385 Q C 2.053 178.064 176.000 0.019 0.000 0.976 385 Q CA 1.807 57.626 55.803 0.027 0.000 0.858 385 Q CB 0.068 28.836 28.738 0.051 0.000 0.907 385 Q HN 0.361 nan 8.270 nan 0.000 0.433 386 V N -4.126 115.808 119.914 0.033 0.000 2.949 386 V HA 0.277 4.397 4.120 0.000 0.000 0.245 386 V C 1.630 177.722 176.094 -0.003 0.000 1.086 386 V CA 1.013 63.322 62.300 0.016 0.000 1.097 386 V CB -0.016 31.848 31.823 0.068 0.000 0.762 386 V HN 0.177 nan 8.190 nan 0.000 0.470 387 A N 0.716 123.539 122.820 0.006 0.000 2.390 387 A HA 0.500 4.820 4.320 0.000 0.000 0.232 387 A C 2.085 179.667 177.584 -0.005 0.000 1.233 387 A CA 0.706 52.742 52.037 -0.000 0.000 0.907 387 A CB -0.578 18.427 19.000 0.009 0.000 0.967 387 A HN 0.597 nan 8.150 nan 0.000 0.512 388 G N 0.814 109.610 108.800 -0.006 0.000 2.547 388 G HA2 -0.314 3.646 3.960 0.000 0.000 0.221 388 G HA3 -0.314 3.646 3.960 0.000 0.000 0.221 388 G C 1.479 176.373 174.900 -0.010 0.000 1.140 388 G CA 2.110 47.206 45.100 -0.007 0.000 0.760 388 G HN 0.868 nan 8.290 nan 0.000 0.583 389 T N -3.426 111.118 114.554 -0.016 0.000 3.040 389 T HA 0.353 4.703 4.350 0.000 0.000 0.266 389 T C 2.018 176.709 174.700 -0.014 0.000 1.005 389 T CA 0.552 62.643 62.100 -0.015 0.000 0.906 389 T CB 0.155 69.009 68.868 -0.022 0.000 1.082 389 T HN 0.151 nan 8.240 nan 0.000 0.531 390 M N 1.341 120.931 119.600 -0.016 0.000 2.082 390 M HA -0.100 4.380 4.480 0.000 0.000 0.258 390 M C 2.344 178.645 176.300 0.002 0.000 1.071 390 M CA 2.106 57.397 55.300 -0.015 0.000 1.103 390 M CB -0.190 32.401 32.600 -0.015 0.000 1.307 390 M HN 0.233 nan 8.290 nan 0.000 0.409 391 K N 0.278 120.683 120.400 0.008 0.000 2.015 391 K HA -0.208 4.112 4.320 0.000 0.000 0.216 391 K C 1.632 178.246 176.600 0.023 0.000 1.052 391 K CA 2.056 58.354 56.287 0.019 0.000 0.937 391 K CB -0.583 31.927 32.500 0.017 0.000 0.719 391 K HN 0.409 nan 8.250 nan 0.000 0.446 392 L N 0.412 121.644 121.223 0.015 0.000 2.083 392 L HA -0.187 4.153 4.340 0.000 0.000 0.209 392 L C 2.670 179.553 176.870 0.023 0.000 1.083 392 L CA 1.690 56.540 54.840 0.016 0.000 0.752 392 L CB -0.616 41.447 42.059 0.007 0.000 0.899 392 L HN 0.489 nan 8.230 nan 0.000 0.433 393 E N 0.933 121.144 120.200 0.018 0.000 2.058 393 E HA -0.242 4.108 4.350 0.000 0.000 0.194 393 E C 2.359 179.001 176.600 0.069 0.000 0.997 393 E CA 1.256 57.671 56.400 0.025 0.000 0.801 393 E CB -0.068 29.630 29.700 -0.002 0.000 0.746 393 E HN 0.467 nan 8.360 nan 0.000 0.450 394 L N 0.297 121.565 121.223 0.075 0.000 2.201 394 L HA -0.112 4.228 4.340 0.000 0.000 0.212 394 L C 2.590 179.549 176.870 0.148 0.000 1.105 394 L CA 0.823 55.750 54.840 0.144 0.000 0.775 394 L CB -0.349 41.770 42.059 0.099 0.000 0.913 394 L HN 0.249 nan 8.230 nan 0.000 0.440 395 A N -1.123 121.746 122.820 0.081 0.000 2.014 395 A HA -0.155 4.165 4.320 0.000 0.000 0.218 395 A C 2.221 179.827 177.584 0.037 0.000 1.163 395 A CA 0.986 53.055 52.037 0.053 0.000 0.652 395 A CB -0.147 18.874 19.000 0.035 0.000 0.808 395 A HN 0.347 nan 8.150 nan 0.000 0.449 396 Q N -1.830 118.002 119.800 0.053 0.000 2.163 396 Q HA -0.074 4.266 4.340 0.000 0.000 0.198 396 Q C 1.895 177.928 176.000 0.054 0.000 0.954 396 Q CA 1.266 57.090 55.803 0.034 0.000 0.851 396 Q CB -0.473 28.284 28.738 0.030 0.000 0.928 396 Q HN 0.837 nan 8.270 nan 0.000 0.459 397 Y N 2.060 122.354 120.300 -0.009 0.000 2.097 397 Y HA -0.236 4.314 4.550 0.000 0.000 0.282 397 Y C 2.067 177.967 175.900 -0.000 0.000 1.152 397 Y CA 1.710 59.805 58.100 -0.008 0.000 1.136 397 Y CB -0.180 38.273 38.460 -0.012 0.000 0.975 397 Y HN -0.071 nan 8.280 nan 0.000 0.498 398 R N 0.620 120.886 120.500 -0.391 0.000 2.127 398 R HA -0.171 4.169 4.340 0.000 0.000 0.238 398 R C 2.241 178.395 176.300 -0.243 0.000 1.134 398 R CA 1.484 57.329 56.100 -0.425 0.000 0.975 398 R CB -0.740 29.465 30.300 -0.157 0.000 0.865 398 R HN 0.529 nan 8.270 nan 0.000 0.447 399 E N 0.770 120.892 120.200 -0.130 0.000 2.072 399 E HA -0.095 4.255 4.350 0.000 0.000 0.190 399 E C 1.924 178.490 176.600 -0.057 0.000 0.982 399 E CA 1.359 57.718 56.400 -0.069 0.000 0.803 399 E CB 0.093 29.768 29.700 -0.041 0.000 0.755 399 E HN 0.185 nan 8.360 nan 0.000 0.453 400 V N -0.758 119.119 119.914 -0.061 0.000 2.548 400 V HA 0.028 4.148 4.120 0.000 0.000 0.249 400 V C 2.449 178.514 176.094 -0.048 0.000 1.055 400 V CA 1.582 63.883 62.300 0.002 0.000 1.065 400 V CB -1.036 30.809 31.823 0.036 0.000 0.681 400 V HN 0.218 nan 8.190 nan 0.000 0.462 401 A N 0.701 123.408 122.820 -0.188 0.000 1.972 401 A HA 0.086 4.406 4.320 0.000 0.000 0.219 401 A C 2.436 179.918 177.584 -0.171 0.000 1.169 401 A CA 2.273 54.175 52.037 -0.225 0.000 0.635 401 A CB -0.853 17.870 19.000 -0.463 0.000 0.810 401 A HN 0.923 nan 8.150 nan 0.000 0.446 402 A N -1.192 121.549 122.820 -0.132 0.000 1.855 402 A HA 0.073 4.393 4.320 0.000 0.000 0.213 402 A C 1.970 179.451 177.584 -0.172 0.000 1.195 402 A CA 1.319 53.305 52.037 -0.085 0.000 0.610 402 A CB -0.773 18.221 19.000 -0.011 0.000 0.837 402 A HN 0.663 nan 8.150 nan 0.000 0.444 403 F N 1.320 121.084 119.950 -0.309 0.000 2.236 403 F HA -0.125 4.403 4.527 0.000 0.000 0.302 403 F C 2.178 177.406 175.800 -0.953 0.000 1.073 403 F CA 1.050 58.706 58.000 -0.572 0.000 1.336 403 F CB -0.136 38.710 39.000 -0.257 0.000 1.040 403 F HN 0.216 nan 8.300 nan 0.000 0.507 404 A N -0.655 121.816 122.820 -0.582 0.000 2.178 404 A HA -0.006 4.314 4.320 0.000 0.000 0.211 404 A C 1.643 178.930 177.584 -0.495 0.000 1.157 404 A CA 0.159 51.867 52.037 -0.548 0.000 0.780 404 A CB -0.582 18.281 19.000 -0.228 0.000 0.828 404 A HN 0.507 nan 8.150 nan 0.000 0.476 405 Q N -0.041 119.486 119.800 -0.454 0.000 2.380 405 Q HA 0.224 4.564 4.340 0.000 0.000 0.254 405 Q C -1.351 174.616 176.000 -0.055 0.000 0.927 405 Q CA -0.083 55.606 55.803 -0.191 0.000 0.950 405 Q CB -0.722 27.970 28.738 -0.076 0.000 1.206 405 Q HN 0.749 nan 8.270 nan 0.000 0.414 406 F N -4.898 114.961 119.950 -0.151 0.000 3.667 406 F HA 0.288 4.815 4.527 0.000 0.000 0.396 406 F C 0.316 175.994 175.800 -0.203 0.000 1.173 406 F CA -1.391 56.513 58.000 -0.160 0.000 1.453 406 F CB -0.391 38.513 39.000 -0.161 0.000 2.117 406 F HN -0.029 nan 8.300 nan 0.000 0.789 407 G N 2.207 111.002 108.800 -0.008 0.000 2.246 407 G HA2 0.023 3.983 3.960 0.000 0.000 0.296 407 G HA3 0.023 3.983 3.960 0.000 0.000 0.296 407 G C 0.045 174.910 174.900 -0.059 0.000 0.505 407 G CA 0.684 45.757 45.100 -0.045 0.000 1.301 407 G HN 0.700 nan 8.290 nan 0.000 0.412 408 S N 1.674 117.271 115.700 -0.172 0.000 3.158 408 S HA 0.289 4.759 4.470 0.000 0.000 0.215 408 S C 0.308 174.874 174.600 -0.057 0.000 1.359 408 S CA -0.138 57.973 58.200 -0.148 0.000 0.974 408 S CB 0.281 63.217 63.200 -0.441 0.000 1.336 408 S HN 0.843 nan 8.310 nan 0.000 0.488 409 D N 0.837 121.227 120.400 -0.017 0.000 3.421 409 D HA -0.241 4.399 4.640 0.000 0.000 0.191 409 D C -0.420 175.887 176.300 0.012 0.000 1.267 409 D CA 0.218 54.220 54.000 0.004 0.000 0.702 409 D CB -1.078 39.735 40.800 0.023 0.000 0.925 409 D HN 0.486 nan 8.370 nan 0.000 0.424 410 L N 1.770 122.990 121.223 -0.005 0.000 2.698 410 L HA 0.016 4.356 4.340 0.000 0.000 0.272 410 L C 1.185 178.064 176.870 0.015 0.000 1.154 410 L CA 0.109 54.953 54.840 0.007 0.000 0.964 410 L CB -0.267 41.787 42.059 -0.008 0.000 1.272 410 L HN 0.476 nan 8.230 nan 0.000 0.483 411 D N 3.001 123.416 120.400 0.027 0.000 2.329 411 D HA 0.137 4.777 4.640 0.000 0.000 0.246 411 D C 0.968 177.277 176.300 0.015 0.000 1.111 411 D CA -0.131 53.882 54.000 0.021 0.000 0.941 411 D CB 1.563 42.378 40.800 0.026 0.000 1.169 411 D HN 0.430 nan 8.370 nan 0.000 0.441 412 A N 1.949 124.773 122.820 0.008 0.000 1.927 412 A HA -0.178 4.142 4.320 0.000 0.000 0.220 412 A C 2.195 179.780 177.584 0.002 0.000 1.185 412 A CA 2.987 55.026 52.037 0.002 0.000 0.639 412 A CB -1.117 17.881 19.000 -0.002 0.000 0.820 412 A HN 0.775 nan 8.150 nan 0.000 0.451 413 A N -0.635 122.188 122.820 0.004 0.000 1.845 413 A HA -0.139 4.181 4.320 0.000 0.000 0.215 413 A C 2.539 180.129 177.584 0.011 0.000 1.195 413 A CA 2.956 54.994 52.037 0.003 0.000 0.616 413 A CB -1.553 17.449 19.000 0.003 0.000 0.832 413 A HN 0.950 nan 8.150 nan 0.000 0.443 414 T N -1.983 112.584 114.554 0.023 0.000 2.867 414 T HA -0.226 4.124 4.350 0.000 0.000 0.268 414 T C 1.952 176.675 174.700 0.039 0.000 1.057 414 T CA 1.747 63.870 62.100 0.038 0.000 1.136 414 T CB -0.421 68.480 68.868 0.056 0.000 0.874 414 T HN 0.597 nan 8.240 nan 0.000 0.466 415 Q N -0.391 119.424 119.800 0.025 0.000 2.167 415 Q HA -0.134 4.206 4.340 0.000 0.000 0.202 415 Q C 2.580 178.586 176.000 0.011 0.000 0.970 415 Q CA 1.012 56.827 55.803 0.019 0.000 0.855 415 Q CB -0.131 28.612 28.738 0.008 0.000 0.911 415 Q HN 0.486 nan 8.270 nan 0.000 0.438 416 Q N 0.232 120.033 119.800 0.001 0.000 2.096 416 Q HA -0.112 4.229 4.340 0.000 0.000 0.197 416 Q C 2.153 178.139 176.000 -0.022 0.000 0.964 416 Q CA 0.812 56.603 55.803 -0.019 0.000 0.838 416 Q CB -0.195 28.527 28.738 -0.027 0.000 0.906 416 Q HN 0.418 nan 8.270 nan 0.000 0.444 417 L N 0.791 122.016 121.223 0.004 0.000 2.042 417 L HA -0.180 4.160 4.340 0.000 0.000 0.210 417 L C 2.121 179.026 176.870 0.057 0.000 1.076 417 L CA 1.634 56.489 54.840 0.025 0.000 0.749 417 L CB -0.793 41.304 42.059 0.063 0.000 0.893 417 L HN 0.184 nan 8.230 nan 0.000 0.432 418 L N -0.995 120.292 121.223 0.108 0.000 2.046 418 L HA -0.187 4.153 4.340 0.000 0.000 0.208 418 L C 2.432 179.320 176.870 0.029 0.000 1.077 418 L CA 1.447 56.403 54.840 0.193 0.000 0.747 418 L CB -0.739 41.410 42.059 0.150 0.000 0.896 418 L HN 0.309 nan 8.230 nan 0.000 0.432 419 S N -0.423 115.261 115.700 -0.026 0.000 2.383 419 S HA -0.175 4.295 4.470 0.000 0.000 0.227 419 S C 1.973 176.484 174.600 -0.149 0.000 1.026 419 S CA 1.037 59.194 58.200 -0.072 0.000 0.981 419 S CB -0.266 62.900 63.200 -0.057 0.000 0.818 419 S HN 0.283 nan 8.310 nan 0.000 0.472 420 R N 1.956 122.354 120.500 -0.170 0.000 2.073 420 R HA 0.073 4.413 4.340 0.000 0.000 0.229 420 R C 2.327 178.413 176.300 -0.357 0.000 1.120 420 R CA 1.614 57.585 56.100 -0.214 0.000 0.967 420 R CB -1.265 28.934 30.300 -0.168 0.000 0.862 420 R HN 0.374 nan 8.270 nan 0.000 0.436 421 G N -0.391 108.027 108.800 -0.636 0.000 2.418 421 G HA2 -0.175 3.785 3.960 0.000 0.000 0.217 421 G HA3 -0.175 3.785 3.960 0.000 0.000 0.217 421 G C 1.371 175.624 174.900 -1.077 0.000 1.158 421 G CA 0.973 45.274 45.100 -1.333 0.000 0.771 421 G HN 0.229 nan 8.290 nan 0.000 0.545 422 V N 1.037 120.526 119.914 -0.708 0.000 2.407 422 V HA -0.138 3.982 4.120 0.000 0.000 0.248 422 V C 2.970 178.965 176.094 -0.166 0.000 1.055 422 V CA 1.623 63.792 62.300 -0.217 0.000 1.049 422 V CB -0.431 31.370 31.823 -0.037 0.000 0.662 422 V HN 0.221 nan 8.190 nan 0.000 0.455 423 R N 0.107 120.492 120.500 -0.192 0.000 2.062 423 R HA 0.044 4.384 4.340 0.000 0.000 0.229 423 R C 2.255 178.482 176.300 -0.123 0.000 1.128 423 R CA 1.164 57.183 56.100 -0.134 0.000 0.960 423 R CB -0.937 29.278 30.300 -0.142 0.000 0.855 423 R HN 0.428 nan 8.270 nan 0.000 0.432 424 L N 0.506 121.627 121.223 -0.170 0.000 2.131 424 L HA -0.141 4.199 4.340 0.000 0.000 0.210 424 L C 2.239 179.061 176.870 -0.080 0.000 1.092 424 L CA 1.412 56.179 54.840 -0.122 0.000 0.759 424 L CB -0.813 41.160 42.059 -0.142 0.000 0.903 424 L HN 0.192 nan 8.230 nan 0.000 0.435 425 T N -0.896 113.604 114.554 -0.091 0.000 2.788 425 T HA -0.139 4.211 4.350 0.000 0.000 0.268 425 T C 1.787 176.479 174.700 -0.014 0.000 1.044 425 T CA 1.065 63.151 62.100 -0.023 0.000 1.139 425 T CB -0.069 68.814 68.868 0.025 0.000 0.867 425 T HN 0.289 nan 8.240 nan 0.000 0.454 426 E N 1.072 121.258 120.200 -0.023 0.000 2.150 426 E HA 0.039 4.389 4.350 0.000 0.000 0.193 426 E C 2.148 178.748 176.600 0.001 0.000 0.985 426 E CA 0.639 57.035 56.400 -0.006 0.000 0.814 426 E CB -0.300 29.398 29.700 -0.004 0.000 0.752 426 E HN 0.478 nan 8.360 nan 0.000 0.466 427 L N 0.240 121.460 121.223 -0.006 0.000 2.395 427 L HA -0.014 4.326 4.340 0.000 0.000 0.218 427 L C 2.190 179.065 176.870 0.009 0.000 1.130 427 L CA 0.280 55.126 54.840 0.011 0.000 0.826 427 L CB -0.108 41.957 42.059 0.010 0.000 0.941 427 L HN 0.036 nan 8.230 nan 0.000 0.451 428 L N -0.710 120.512 121.223 -0.001 0.000 2.509 428 L HA 0.027 4.367 4.340 0.000 0.000 0.222 428 L C 0.831 177.696 176.870 -0.007 0.000 1.123 428 L CA 0.204 55.044 54.840 -0.001 0.000 0.856 428 L CB -0.070 41.988 42.059 -0.001 0.000 0.985 428 L HN 0.119 nan 8.230 nan 0.000 0.456 429 K N 1.285 121.679 120.400 -0.010 0.000 2.350 429 K HA 0.198 4.518 4.320 0.000 0.000 0.279 429 K C -0.191 176.396 176.600 -0.022 0.000 1.027 429 K CA 0.269 56.541 56.287 -0.025 0.000 0.969 429 K CB 0.794 33.279 32.500 -0.026 0.000 0.954 429 K HN -0.008 nan 8.250 nan 0.000 0.474 430 Q N 0.979 120.756 119.800 -0.038 0.000 2.295 430 Q HA 0.287 4.627 4.340 0.000 0.000 0.268 430 Q C -0.500 175.465 176.000 -0.058 0.000 1.010 430 Q CA -0.576 55.206 55.803 -0.034 0.000 0.856 430 Q CB 1.783 30.505 28.738 -0.027 0.000 1.349 430 Q HN 0.826 nan 8.270 nan 0.000 0.412 431 G N 1.493 110.264 108.800 -0.048 0.000 2.525 431 G HA2 0.118 4.078 3.960 0.000 0.000 0.276 431 G HA3 0.118 4.078 3.960 0.000 0.000 0.276 431 G C -0.686 174.156 174.900 -0.097 0.000 1.388 431 G CA -0.019 45.043 45.100 -0.063 0.000 1.050 431 G HN 0.566 nan 8.290 nan 0.000 0.520 432 Q N -2.250 117.463 119.800 -0.144 0.000 2.351 432 Q HA 0.420 4.760 4.340 0.000 0.000 0.273 432 Q C -0.736 175.111 176.000 -0.254 0.000 1.077 432 Q CA -0.821 54.783 55.803 -0.331 0.000 0.843 432 Q CB 1.356 29.739 28.738 -0.591 0.000 1.367 432 Q HN 0.564 nan 8.270 nan 0.000 0.449 433 Y N -1.286 119.012 120.300 -0.004 0.000 4.907 433 Y HA -0.242 4.308 4.550 0.000 0.000 0.246 433 Y C -0.084 175.807 175.900 -0.015 0.000 0.968 433 Y CA 0.930 59.023 58.100 -0.011 0.000 1.961 433 Y CB -1.882 36.571 38.460 -0.012 0.000 1.487 433 Y HN 0.343 nan 8.280 nan 0.000 0.575 434 S N 0.760 116.507 115.700 0.079 0.000 2.128 434 S HA 0.339 4.809 4.470 0.000 0.000 0.157 434 S C -2.397 172.209 174.600 0.010 0.000 1.650 434 S CA -0.943 57.283 58.200 0.044 0.000 1.269 434 S CB 1.019 64.241 63.200 0.036 0.000 1.227 434 S HN 0.030 nan 8.310 nan 0.000 0.405 435 P HA 0.091 nan 4.420 nan 0.000 0.264 435 P C -0.361 176.928 177.300 -0.018 0.000 1.193 435 P CA 0.139 63.235 63.100 -0.007 0.000 0.763 435 P CB 0.346 32.044 31.700 -0.003 0.000 0.810 436 M N 1.916 121.509 119.600 -0.011 0.000 2.274 436 M HA 0.414 4.894 4.480 0.000 0.000 0.344 436 M C 0.742 177.035 176.300 -0.012 0.000 1.161 436 M CA -0.547 54.745 55.300 -0.014 0.000 1.126 436 M CB 1.152 33.751 32.600 -0.002 0.000 1.522 436 M HN 0.358 nan 8.290 nan 0.000 0.461 437 A N 1.868 124.674 122.820 -0.023 0.000 2.371 437 A HA 0.223 4.543 4.320 0.000 0.000 0.257 437 A C 0.927 178.519 177.584 0.012 0.000 1.089 437 A CA -0.525 51.503 52.037 -0.014 0.000 0.794 437 A CB 0.198 19.177 19.000 -0.034 0.000 1.029 437 A HN 0.908 nan 8.150 nan 0.000 0.488 438 I N 1.078 121.672 120.570 0.040 0.000 2.194 438 I HA -0.234 3.936 4.170 0.000 0.000 0.246 438 I C 2.510 178.642 176.117 0.024 0.000 1.093 438 I CA 2.407 63.731 61.300 0.040 0.000 1.355 438 I CB -0.528 37.503 38.000 0.053 0.000 1.046 438 I HN 0.853 nan 8.210 nan 0.000 0.413 439 E N 0.478 120.684 120.200 0.011 0.000 2.110 439 E HA -0.267 4.083 4.350 0.000 0.000 0.193 439 E C 1.819 178.413 176.600 -0.010 0.000 0.988 439 E CA 1.725 58.122 56.400 -0.004 0.000 0.804 439 E CB -0.818 28.869 29.700 -0.021 0.000 0.745 439 E HN 0.665 nan 8.360 nan 0.000 0.458 440 E N 0.831 121.022 120.200 -0.016 0.000 2.106 440 E HA -0.138 4.212 4.350 0.000 0.000 0.192 440 E C 2.360 178.976 176.600 0.027 0.000 0.984 440 E CA 1.009 57.398 56.400 -0.018 0.000 0.806 440 E CB -0.065 29.614 29.700 -0.035 0.000 0.750 440 E HN 0.401 nan 8.360 nan 0.000 0.458 441 Q N 0.376 120.195 119.800 0.031 0.000 2.050 441 Q HA -0.146 4.194 4.340 0.000 0.000 0.202 441 Q C 2.438 178.481 176.000 0.072 0.000 0.980 441 Q CA 1.412 57.243 55.803 0.047 0.000 0.840 441 Q CB -0.085 28.676 28.738 0.037 0.000 0.898 441 Q HN 0.172 nan 8.270 nan 0.000 0.424 442 V N 1.185 121.139 119.914 0.068 0.000 2.332 442 V HA -0.303 3.817 4.120 0.000 0.000 0.248 442 V C 2.321 178.503 176.094 0.146 0.000 1.055 442 V CA 1.835 64.193 62.300 0.096 0.000 1.038 442 V CB -1.094 30.772 31.823 0.071 0.000 0.651 442 V HN 0.396 nan 8.190 nan 0.000 0.450 443 A N 0.661 123.550 122.820 0.116 0.000 1.865 443 A HA -0.187 4.133 4.320 0.000 0.000 0.217 443 A C 2.461 180.240 177.584 0.324 0.000 1.191 443 A CA 2.546 54.689 52.037 0.178 0.000 0.623 443 A CB -0.922 18.141 19.000 0.106 0.000 0.826 443 A HN 0.675 nan 8.150 nan 0.000 0.444 444 V N -1.637 118.440 119.914 0.272 0.000 2.427 444 V HA -0.167 3.953 4.120 0.000 0.000 0.248 444 V C 2.108 178.295 176.094 0.155 0.000 1.051 444 V CA 1.859 64.293 62.300 0.224 0.000 1.048 444 V CB -0.851 31.073 31.823 0.170 0.000 0.666 444 V HN 0.379 nan 8.190 nan 0.000 0.456 445 I N -0.097 120.557 120.570 0.140 0.000 2.286 445 I HA -0.156 4.014 4.170 0.000 0.000 0.248 445 I C 2.510 178.698 176.117 0.118 0.000 1.115 445 I CA 1.831 63.189 61.300 0.096 0.000 1.392 445 I CB -1.737 36.305 38.000 0.071 0.000 1.065 445 I HN 0.499 nan 8.210 nan 0.000 0.418 446 Y N 2.230 122.558 120.300 0.046 0.000 2.114 446 Y HA -0.312 4.238 4.550 0.000 0.000 0.282 446 Y C 2.602 178.535 175.900 0.055 0.000 1.165 446 Y CA 2.182 60.316 58.100 0.056 0.000 1.148 446 Y CB -0.375 38.146 38.460 0.101 0.000 0.972 446 Y HN 0.145 nan 8.280 nan 0.000 0.504 447 A N -0.360 122.645 122.820 0.307 0.000 1.978 447 A HA -0.098 4.222 4.320 0.000 0.000 0.220 447 A C 2.419 180.011 177.584 0.013 0.000 1.170 447 A CA 1.761 53.919 52.037 0.201 0.000 0.636 447 A CB -1.529 17.465 19.000 -0.009 0.000 0.810 447 A HN 0.610 nan 8.150 nan 0.000 0.448 448 G N -1.132 107.646 108.800 -0.037 0.000 2.417 448 G HA2 0.035 3.995 3.960 0.000 0.000 0.212 448 G HA3 0.035 3.995 3.960 0.000 0.000 0.212 448 G C 1.459 176.259 174.900 -0.166 0.000 1.187 448 G CA 0.890 45.927 45.100 -0.106 0.000 0.804 448 G HN 0.246 nan 8.290 nan 0.000 0.534 449 V N 1.011 120.827 119.914 -0.162 0.000 2.490 449 V HA -0.064 4.056 4.120 0.000 0.000 0.250 449 V C 2.656 178.567 176.094 -0.304 0.000 1.061 449 V CA 1.297 63.477 62.300 -0.199 0.000 1.064 449 V CB -0.313 31.416 31.823 -0.156 0.000 0.670 449 V HN 0.169 nan 8.190 nan 0.000 0.461 450 R N -0.066 120.166 120.500 -0.448 0.000 2.313 450 R HA 0.169 4.509 4.340 0.000 0.000 0.199 450 R C 1.751 177.574 176.300 -0.794 0.000 0.958 450 R CA 0.666 56.370 56.100 -0.661 0.000 1.047 450 R CB -0.667 29.092 30.300 -0.901 0.000 0.955 450 R HN 0.596 nan 8.270 nan 0.000 0.481 451 G N 0.350 108.835 108.800 -0.525 0.000 2.184 451 G HA2 -0.348 3.612 3.960 0.000 0.000 0.264 451 G HA3 -0.348 3.612 3.960 0.000 0.000 0.264 451 G C 0.484 175.166 174.900 -0.363 0.000 0.975 451 G CA 0.427 45.284 45.100 -0.406 0.000 0.642 451 G HN 0.358 nan 8.290 nan 0.000 0.536 452 Y N -0.011 120.215 120.300 -0.123 0.000 2.569 452 Y HA 0.243 4.793 4.550 0.000 0.000 0.293 452 Y C 2.580 178.366 175.900 -0.189 0.000 1.144 452 Y CA 1.259 59.287 58.100 -0.121 0.000 1.321 452 Y CB -0.154 38.258 38.460 -0.079 0.000 0.982 452 Y HN 0.410 nan 8.280 nan 0.000 0.558 453 L N -1.024 120.127 121.223 -0.121 0.000 2.693 453 L HA 0.112 4.452 4.340 0.000 0.000 0.235 453 L C 0.889 177.667 176.870 -0.153 0.000 1.127 453 L CA 0.010 54.725 54.840 -0.210 0.000 0.914 453 L CB 0.036 41.932 42.059 -0.270 0.000 1.193 453 L HN -0.081 nan 8.230 nan 0.000 0.502 454 D N 1.186 121.510 120.400 -0.126 0.000 2.357 454 D HA -0.163 4.477 4.640 0.000 0.000 0.216 454 D C 1.587 177.840 176.300 -0.080 0.000 0.973 454 D CA 1.289 55.225 54.000 -0.106 0.000 0.912 454 D CB 0.116 40.853 40.800 -0.106 0.000 0.900 454 D HN 0.239 nan 8.370 nan 0.000 0.501 455 K N -0.770 119.586 120.400 -0.073 0.000 2.402 455 K HA 0.170 4.490 4.320 0.000 0.000 0.204 455 K C -0.072 176.499 176.600 -0.049 0.000 1.056 455 K CA -0.427 55.830 56.287 -0.050 0.000 1.069 455 K CB 0.986 33.465 32.500 -0.034 0.000 0.888 455 K HN 0.010 nan 8.250 nan 0.000 0.546 456 L N 1.899 123.077 121.223 -0.074 0.000 2.334 456 L HA 0.188 4.528 4.340 0.000 0.000 0.277 456 L C -0.072 176.776 176.870 -0.037 0.000 1.075 456 L CA -0.196 54.608 54.840 -0.060 0.000 0.804 456 L CB 1.055 43.039 42.059 -0.125 0.000 1.174 456 L HN 0.026 nan 8.230 nan 0.000 0.438 457 E N 6.316 126.514 120.200 -0.003 0.000 2.415 457 E HA 0.030 4.380 4.350 0.000 0.000 0.260 457 E C -1.715 174.891 176.600 0.011 0.000 1.016 457 E CA -1.256 55.147 56.400 0.006 0.000 0.924 457 E CB 0.962 30.674 29.700 0.020 0.000 0.961 457 E HN 0.533 nan 8.360 nan 0.000 0.459 458 P HA -0.250 nan 4.420 nan 0.000 0.218 458 P C 0.935 178.248 177.300 0.022 0.000 1.154 458 P CA 1.677 64.776 63.100 -0.001 0.000 0.872 458 P CB 0.066 31.765 31.700 -0.002 0.000 0.790 459 S N -1.678 114.042 115.700 0.033 0.000 2.555 459 S HA 0.011 4.481 4.470 0.000 0.000 0.230 459 S C 1.520 176.167 174.600 0.078 0.000 0.978 459 S CA 0.627 58.855 58.200 0.047 0.000 0.934 459 S CB -0.545 62.679 63.200 0.039 0.000 0.766 459 S HN 0.208 nan 8.310 nan 0.000 0.533 460 K N 0.934 121.393 120.400 0.099 0.000 2.334 460 K HA 0.329 4.649 4.320 0.000 0.000 0.195 460 K C 1.751 178.475 176.600 0.207 0.000 1.045 460 K CA 0.027 56.426 56.287 0.186 0.000 1.004 460 K CB -0.201 32.437 32.500 0.231 0.000 0.837 460 K HN 0.388 nan 8.250 nan 0.000 0.510 461 I N 1.449 122.088 120.570 0.116 0.000 2.113 461 I HA -0.362 3.808 4.170 0.000 0.000 0.242 461 I C 2.054 178.260 176.117 0.148 0.000 1.057 461 I CA 1.691 63.052 61.300 0.101 0.000 1.314 461 I CB -0.804 37.216 38.000 0.033 0.000 1.022 461 I HN 0.151 nan 8.210 nan 0.000 0.408 462 T N 0.275 114.898 114.554 0.115 0.000 2.720 462 T HA -0.254 4.096 4.350 0.000 0.000 0.268 462 T C 1.943 176.722 174.700 0.132 0.000 1.037 462 T CA 1.658 63.819 62.100 0.102 0.000 1.144 462 T CB -0.231 68.680 68.868 0.071 0.000 0.864 462 T HN 0.309 nan 8.240 nan 0.000 0.444 463 K N 0.016 120.531 120.400 0.191 0.000 2.063 463 K HA -0.119 4.201 4.320 0.000 0.000 0.208 463 K C 2.069 178.816 176.600 0.245 0.000 1.048 463 K CA 1.356 57.807 56.287 0.273 0.000 0.928 463 K CB -0.336 32.401 32.500 0.395 0.000 0.713 463 K HN 0.330 nan 8.250 nan 0.000 0.442 464 F N 2.112 122.016 119.950 -0.075 0.000 2.126 464 F HA -0.190 4.337 4.527 0.000 0.000 0.299 464 F C 2.198 177.909 175.800 -0.148 0.000 1.096 464 F CA 1.855 59.514 58.000 -0.568 0.000 1.255 464 F CB -0.194 38.441 39.000 -0.609 0.000 0.997 464 F HN 0.183 nan 8.300 nan 0.000 0.479 465 E N 0.158 120.344 120.200 -0.024 0.000 2.038 465 E HA -0.258 4.092 4.350 0.000 0.000 0.195 465 E C 2.027 178.596 176.600 -0.051 0.000 1.000 465 E CA 1.507 57.893 56.400 -0.022 0.000 0.803 465 E CB -0.222 29.524 29.700 0.077 0.000 0.750 465 E HN 0.436 nan 8.360 nan 0.000 0.448 466 N N 0.527 119.225 118.700 -0.003 0.000 2.069 466 N HA -0.190 4.550 4.740 0.000 0.000 0.191 466 N C 1.771 177.275 175.510 -0.010 0.000 1.031 466 N CA 1.398 54.453 53.050 0.007 0.000 0.852 466 N CB -0.536 37.980 38.487 0.049 0.000 1.018 466 N HN 0.222 nan 8.380 nan 0.000 0.423 467 A N 1.110 123.948 122.820 0.030 0.000 1.865 467 A HA -0.170 4.150 4.320 0.000 0.000 0.217 467 A C 2.165 179.709 177.584 -0.067 0.000 1.191 467 A CA 1.273 53.394 52.037 0.139 0.000 0.623 467 A CB -1.134 18.111 19.000 0.409 0.000 0.826 467 A HN 0.291 nan 8.150 nan 0.000 0.444 468 F N 0.085 119.673 119.950 -0.604 0.000 2.065 468 F HA -0.195 4.332 4.527 0.000 0.000 0.298 468 F C 1.906 177.393 175.800 -0.521 0.000 1.112 468 F CA 1.943 59.341 58.000 -1.003 0.000 1.212 468 F CB -0.531 37.769 39.000 -1.168 0.000 0.975 468 F HN 0.176 nan 8.300 nan 0.000 0.476 469 L N 0.021 121.034 121.223 -0.349 0.000 2.012 469 L HA -0.229 4.111 4.340 0.000 0.000 0.210 469 L C 2.621 179.323 176.870 -0.280 0.000 1.073 469 L CA 2.158 56.808 54.840 -0.315 0.000 0.748 469 L CB -1.214 40.775 42.059 -0.117 0.000 0.891 469 L HN 0.149 nan 8.230 nan 0.000 0.431 470 S N -1.854 113.743 115.700 -0.173 0.000 2.383 470 S HA -0.275 4.195 4.470 0.000 0.000 0.229 470 S C 1.890 176.414 174.600 -0.125 0.000 1.030 470 S CA 1.409 59.544 58.200 -0.107 0.000 1.002 470 S CB -0.508 62.678 63.200 -0.022 0.000 0.829 470 S HN 0.676 nan 8.310 nan 0.000 0.467 471 H N 1.832 120.713 119.070 -0.316 0.000 2.261 471 H HA -0.056 4.500 4.556 0.000 0.000 0.301 471 H C 2.130 177.271 175.328 -0.312 0.000 1.067 471 H CA 2.213 58.071 56.048 -0.317 0.000 1.297 471 H CB -0.724 28.709 29.762 -0.548 0.000 1.377 471 H HN 0.201 nan 8.280 nan 0.000 0.492 472 V N -0.802 118.727 119.914 -0.643 0.000 2.490 472 V HA -0.155 3.965 4.120 0.000 0.000 0.250 472 V C 2.487 178.375 176.094 -0.343 0.000 1.061 472 V CA 1.963 63.944 62.300 -0.533 0.000 1.064 472 V CB -0.928 30.502 31.823 -0.656 0.000 0.670 472 V HN 0.439 nan 8.190 nan 0.000 0.461 473 I N 1.079 121.469 120.570 -0.300 0.000 2.202 473 I HA -0.199 3.971 4.170 0.000 0.000 0.242 473 I C 2.956 178.966 176.117 -0.180 0.000 1.091 473 I CA 1.972 63.151 61.300 -0.202 0.000 1.368 473 I CB -0.465 37.439 38.000 -0.159 0.000 1.058 473 I HN 0.471 nan 8.210 nan 0.000 0.410 474 S N 0.184 115.775 115.700 -0.182 0.000 2.343 474 S HA -0.241 4.229 4.470 0.000 0.000 0.219 474 S C 1.998 176.480 174.600 -0.198 0.000 1.033 474 S CA 1.662 59.771 58.200 -0.152 0.000 1.014 474 S CB -0.133 63.002 63.200 -0.109 0.000 0.915 474 S HN 0.431 nan 8.310 nan 0.000 0.435 475 Q N -0.986 118.630 119.800 -0.306 0.000 2.200 475 Q HA 0.085 4.426 4.340 0.000 0.000 0.197 475 Q C 0.558 176.232 176.000 -0.543 0.000 0.953 475 Q CA 0.770 56.310 55.803 -0.438 0.000 0.851 475 Q CB 0.033 28.421 28.738 -0.584 0.000 0.938 475 Q HN 0.714 nan 8.270 nan 0.000 0.488 476 H N 1.215 120.094 119.070 -0.318 0.000 2.638 476 H HA 0.044 4.600 4.556 0.000 0.000 0.293 476 H C 1.104 176.306 175.328 -0.211 0.000 1.316 476 H CA -0.172 55.720 56.048 -0.259 0.000 1.099 476 H CB 0.037 29.614 29.762 -0.308 0.000 1.515 476 H HN 0.299 nan 8.280 nan 0.000 0.505 477 Q N -0.212 119.515 119.800 -0.122 0.000 2.234 477 Q HA -0.176 4.164 4.340 0.000 0.000 0.206 477 Q C 2.038 177.996 176.000 -0.070 0.000 0.980 477 Q CA 1.456 57.200 55.803 -0.099 0.000 0.869 477 Q CB -0.027 28.652 28.738 -0.098 0.000 0.912 477 Q HN 0.504 nan 8.270 nan 0.000 0.436 478 A N 1.352 124.139 122.820 -0.055 0.000 1.970 478 A HA 0.003 4.323 4.320 0.000 0.000 0.216 478 A C 2.045 179.608 177.584 -0.035 0.000 1.170 478 A CA 0.593 52.607 52.037 -0.039 0.000 0.645 478 A CB -0.461 18.520 19.000 -0.031 0.000 0.816 478 A HN 0.425 nan 8.150 nan 0.000 0.447 479 L N -0.206 120.997 121.223 -0.033 0.000 1.988 479 L HA -0.128 4.213 4.340 0.000 0.000 0.207 479 L C 2.440 179.269 176.870 -0.069 0.000 1.071 479 L CA 1.585 56.391 54.840 -0.057 0.000 0.744 479 L CB -0.443 41.563 42.059 -0.088 0.000 0.893 479 L HN 0.408 nan 8.230 nan 0.000 0.433 480 L N -0.573 120.601 121.223 -0.081 0.000 2.127 480 L HA -0.168 4.173 4.340 0.000 0.000 0.211 480 L C 2.587 179.424 176.870 -0.054 0.000 1.089 480 L CA 1.181 55.974 54.840 -0.078 0.000 0.757 480 L CB -1.210 40.791 42.059 -0.096 0.000 0.899 480 L HN 0.387 nan 8.230 nan 0.000 0.434 481 G N -0.072 108.698 108.800 -0.050 0.000 2.418 481 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 481 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 481 G C 1.736 176.618 174.900 -0.029 0.000 1.158 481 G CA 0.648 45.726 45.100 -0.038 0.000 0.771 481 G HN 0.267 nan 8.290 nan 0.000 0.545 482 K N -0.096 120.286 120.400 -0.031 0.000 2.031 482 K HA 0.089 4.409 4.320 0.000 0.000 0.205 482 K C 2.529 179.116 176.600 -0.021 0.000 1.049 482 K CA 0.670 56.942 56.287 -0.024 0.000 0.939 482 K CB -0.224 32.261 32.500 -0.025 0.000 0.717 482 K HN 0.326 nan 8.250 nan 0.000 0.438 483 I N 0.835 121.388 120.570 -0.027 0.000 2.163 483 I HA -0.335 3.835 4.170 0.000 0.000 0.243 483 I C 2.736 178.846 176.117 -0.011 0.000 1.085 483 I CA 1.328 62.616 61.300 -0.020 0.000 1.347 483 I CB -0.273 37.710 38.000 -0.029 0.000 1.044 483 I HN 0.240 nan 8.210 nan 0.000 0.408 484 R N 0.411 120.904 120.500 -0.012 0.000 2.070 484 R HA -0.174 4.166 4.340 0.000 0.000 0.233 484 R C 2.332 178.631 176.300 -0.002 0.000 1.137 484 R CA 2.287 58.386 56.100 -0.003 0.000 0.945 484 R CB -0.428 29.870 30.300 -0.003 0.000 0.845 484 R HN 0.211 nan 8.270 nan 0.000 0.430 485 T N 0.897 115.448 114.554 -0.006 0.000 2.746 485 T HA -0.109 4.241 4.350 0.000 0.000 0.267 485 T C 0.977 175.673 174.700 -0.006 0.000 1.039 485 T CA 1.701 63.797 62.100 -0.006 0.000 1.142 485 T CB -0.245 68.618 68.868 -0.008 0.000 0.866 485 T HN 0.339 nan 8.240 nan 0.000 0.444 486 D N 0.054 120.450 120.400 -0.006 0.000 2.347 486 D HA 0.155 4.795 4.640 0.000 0.000 0.213 486 D C 1.698 177.996 176.300 -0.003 0.000 0.985 486 D CA 0.694 54.691 54.000 -0.005 0.000 0.879 486 D CB -0.495 40.302 40.800 -0.004 0.000 0.919 486 D HN 0.465 nan 8.370 nan 0.000 0.526 487 G N 1.145 109.943 108.800 -0.003 0.000 2.244 487 G HA2 -0.347 3.613 3.960 0.000 0.000 0.274 487 G HA3 -0.347 3.613 3.960 0.000 0.000 0.274 487 G C 0.461 175.363 174.900 0.003 0.000 1.002 487 G CA 1.164 46.263 45.100 -0.002 0.000 0.740 487 G HN 0.451 nan 8.290 nan 0.000 0.516 488 K N -1.049 119.355 120.400 0.006 0.000 2.555 488 K HA 0.663 4.983 4.320 0.000 0.000 0.279 488 K C -0.742 175.869 176.600 0.018 0.000 0.986 488 K CA -1.225 55.071 56.287 0.015 0.000 0.880 488 K CB 1.238 33.745 32.500 0.012 0.000 1.474 488 K HN 0.044 nan 8.250 nan 0.000 0.433 489 I N 3.224 123.814 120.570 0.034 0.000 2.307 489 I HA 0.158 4.328 4.170 0.000 0.000 0.289 489 I C 0.382 176.522 176.117 0.039 0.000 1.021 489 I CA -0.536 60.787 61.300 0.039 0.000 1.224 489 I CB 1.427 39.477 38.000 0.083 0.000 1.376 489 I HN 0.616 nan 8.210 nan 0.000 0.470 490 S N 3.564 119.278 115.700 0.022 0.000 2.634 490 S HA 0.226 4.696 4.470 0.000 0.000 0.261 490 S C 0.882 175.501 174.600 0.032 0.000 1.271 490 S CA -0.588 57.626 58.200 0.022 0.000 0.985 490 S CB 1.207 64.413 63.200 0.010 0.000 0.968 490 S HN 0.606 nan 8.310 nan 0.000 0.568 491 E N 0.424 120.642 120.200 0.030 0.000 2.153 491 E HA -0.113 4.237 4.350 0.000 0.000 0.194 491 E C 1.855 178.473 176.600 0.029 0.000 0.988 491 E CA 1.358 57.780 56.400 0.036 0.000 0.811 491 E CB -0.169 29.549 29.700 0.029 0.000 0.746 491 E HN 0.810 nan 8.360 nan 0.000 0.466 492 E N 0.298 120.507 120.200 0.016 0.000 2.015 492 E HA -0.156 4.195 4.350 0.000 0.000 0.191 492 E C 1.980 178.577 176.600 -0.005 0.000 0.991 492 E CA 1.310 57.713 56.400 0.006 0.000 0.802 492 E CB 0.030 29.731 29.700 0.001 0.000 0.759 492 E HN 0.097 nan 8.360 nan 0.000 0.447 493 S N 0.921 116.614 115.700 -0.012 0.000 2.374 493 S HA -0.217 4.253 4.470 0.000 0.000 0.227 493 S C 1.641 176.211 174.600 -0.050 0.000 1.037 493 S CA 1.392 59.568 58.200 -0.040 0.000 1.024 493 S CB -0.408 62.771 63.200 -0.035 0.000 0.861 493 S HN 0.374 nan 8.310 nan 0.000 0.456 494 D N 1.095 121.503 120.400 0.013 0.000 2.117 494 D HA -0.092 4.548 4.640 0.000 0.000 0.197 494 D C 2.087 178.429 176.300 0.069 0.000 0.987 494 D CA 1.263 55.312 54.000 0.082 0.000 0.829 494 D CB -0.119 40.775 40.800 0.157 0.000 0.961 494 D HN 0.377 nan 8.370 nan 0.000 0.460 495 A N 0.645 123.490 122.820 0.041 0.000 1.933 495 A HA -0.172 4.148 4.320 0.000 0.000 0.218 495 A C 2.146 179.725 177.584 -0.009 0.000 1.175 495 A CA 1.655 53.711 52.037 0.032 0.000 0.628 495 A CB -0.355 18.659 19.000 0.024 0.000 0.814 495 A HN 0.086 nan 8.150 nan 0.000 0.444 496 K N 0.005 120.379 120.400 -0.044 0.000 2.026 496 K HA 0.010 4.330 4.320 0.000 0.000 0.208 496 K C 1.772 178.282 176.600 -0.150 0.000 1.048 496 K CA 1.320 57.551 56.287 -0.094 0.000 0.929 496 K CB -0.607 31.834 32.500 -0.099 0.000 0.713 496 K HN 0.464 nan 8.250 nan 0.000 0.439 497 L N 0.731 121.841 121.223 -0.189 0.000 1.989 497 L HA -0.225 4.115 4.340 0.000 0.000 0.211 497 L C 2.578 179.367 176.870 -0.136 0.000 1.071 497 L CA 1.841 56.519 54.840 -0.270 0.000 0.749 497 L CB -0.533 41.108 42.059 -0.698 0.000 0.890 497 L HN 0.249 nan 8.230 nan 0.000 0.431 498 K N 0.228 120.610 120.400 -0.030 0.000 2.074 498 K HA -0.293 4.027 4.320 0.000 0.000 0.209 498 K C 2.078 178.570 176.600 -0.181 0.000 1.048 498 K CA 2.115 58.342 56.287 -0.101 0.000 0.926 498 K CB -0.130 32.411 32.500 0.068 0.000 0.713 498 K HN 0.392 nan 8.250 nan 0.000 0.444 499 E N 0.643 120.792 120.200 -0.085 0.000 2.072 499 E HA -0.185 4.165 4.350 0.000 0.000 0.191 499 E C 2.066 178.655 176.600 -0.019 0.000 0.985 499 E CA 1.173 57.544 56.400 -0.049 0.000 0.801 499 E CB -0.145 29.541 29.700 -0.023 0.000 0.750 499 E HN 0.409 nan 8.360 nan 0.000 0.452 500 I N 1.590 122.137 120.570 -0.038 0.000 2.142 500 I HA -0.255 3.915 4.170 0.000 0.000 0.240 500 I C 2.816 179.061 176.117 0.214 0.000 1.078 500 I CA 1.456 62.787 61.300 0.052 0.000 1.343 500 I CB -0.515 37.411 38.000 -0.123 0.000 1.046 500 I HN 0.172 nan 8.210 nan 0.000 0.405 501 V N -0.547 119.456 119.914 0.148 0.000 2.358 501 V HA -0.226 3.894 4.120 0.000 0.000 0.246 501 V C 2.530 178.670 176.094 0.076 0.000 1.047 501 V CA 2.268 64.659 62.300 0.152 0.000 1.035 501 V CB -1.644 30.161 31.823 -0.030 0.000 0.658 501 V HN 0.611 nan 8.190 nan 0.000 0.452 502 T N -1.214 113.279 114.554 -0.102 0.000 2.737 502 T HA -0.178 4.172 4.350 0.000 0.000 0.265 502 T C 1.899 176.631 174.700 0.053 0.000 1.038 502 T CA 1.776 63.834 62.100 -0.071 0.000 1.144 502 T CB -0.829 67.957 68.868 -0.138 0.000 0.866 502 T HN 0.515 nan 8.240 nan 0.000 0.434 503 N N 0.603 119.359 118.700 0.092 0.000 2.216 503 N HA 0.039 4.779 4.740 0.000 0.000 0.183 503 N C 1.495 177.107 175.510 0.170 0.000 1.017 503 N CA 0.933 54.053 53.050 0.116 0.000 0.861 503 N CB -0.472 38.087 38.487 0.121 0.000 0.986 503 N HN 0.462 nan 8.380 nan 0.000 0.428 504 F N 1.752 121.777 119.950 0.125 0.000 2.325 504 F HA 0.022 4.549 4.527 0.000 0.000 0.299 504 F C 2.105 178.071 175.800 0.277 0.000 1.090 504 F CA 0.461 58.557 58.000 0.161 0.000 1.392 504 F CB -0.012 39.115 39.000 0.211 0.000 1.053 504 F HN -0.052 nan 8.300 nan 0.000 0.521 505 L N 0.217 121.658 121.223 0.363 0.000 2.044 505 L HA -0.072 4.269 4.340 0.000 0.000 0.205 505 L C 2.481 179.426 176.870 0.124 0.000 1.075 505 L CA 1.960 56.942 54.840 0.237 0.000 0.747 505 L CB -1.492 40.583 42.059 0.027 0.000 0.903 505 L HN 0.241 nan 8.230 nan 0.000 0.435 506 A N 0.045 122.910 122.820 0.075 0.000 1.892 506 A HA -0.191 4.129 4.320 0.000 0.000 0.218 506 A C 2.341 179.931 177.584 0.010 0.000 1.188 506 A CA 1.928 53.987 52.037 0.037 0.000 0.631 506 A CB -1.409 17.608 19.000 0.029 0.000 0.822 506 A HN 0.528 nan 8.150 nan 0.000 0.447 507 G N -1.710 107.074 108.800 -0.027 0.000 2.418 507 G HA2 -0.223 3.737 3.960 0.000 0.000 0.217 507 G HA3 -0.223 3.737 3.960 0.000 0.000 0.217 507 G C 1.467 176.306 174.900 -0.101 0.000 1.158 507 G CA 1.074 46.121 45.100 -0.087 0.000 0.771 507 G HN 0.485 nan 8.290 nan 0.000 0.545 508 F N 1.346 121.124 119.950 -0.287 0.000 2.216 508 F HA 0.014 4.541 4.527 0.000 0.000 0.300 508 F C 2.422 178.174 175.800 -0.081 0.000 1.085 508 F CA 1.503 59.377 58.000 -0.211 0.000 1.326 508 F CB 0.186 39.114 39.000 -0.119 0.000 1.027 508 F HN 0.201 nan 8.300 nan 0.000 0.497 509 E N 0.369 120.609 120.200 0.067 0.000 2.476 509 E HA 0.160 4.510 4.350 0.000 0.000 0.191 509 E C 0.931 177.496 176.600 -0.059 0.000 1.064 509 E CA -0.003 56.398 56.400 0.001 0.000 0.866 509 E CB 0.002 29.732 29.700 0.051 0.000 0.952 509 E HN 0.368 nan 8.360 nan 0.000 0.492 510 A N 0.000 122.769 122.820 -0.085 0.000 2.254 510 A HA 0.000 4.320 4.320 0.000 0.000 0.244 510 A CA 0.000 51.990 52.037 -0.078 0.000 0.836 510 A CB 0.000 18.955 19.000 -0.076 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486