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 1bmf_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 2.373 122.776 120.400 0.004 0.000 2.412 20 D HA 0.214 4.854 4.640 0.000 0.000 0.257 20 D C 1.020 177.322 176.300 0.004 0.000 1.217 20 D CA 1.471 55.474 54.000 0.004 0.000 0.897 20 D CB 0.767 41.569 40.800 0.005 0.000 1.132 20 D HN 0.519 nan 8.370 nan 0.000 0.493 21 T N -0.205 114.351 114.554 0.003 0.000 3.331 21 T HA 0.112 4.462 4.350 0.000 0.000 0.282 21 T C 1.284 175.985 174.700 0.002 0.000 1.010 21 T CA -0.163 61.938 62.100 0.003 0.000 0.928 21 T CB -0.231 68.638 68.868 0.002 0.000 1.154 21 T HN 0.204 nan 8.240 nan 0.000 0.516 22 S N 0.304 116.006 115.700 0.002 0.000 2.470 22 S HA 0.121 4.591 4.470 0.000 0.000 0.225 22 S C 0.913 175.513 174.600 0.000 0.000 1.006 22 S CA -0.083 58.118 58.200 0.001 0.000 0.934 22 S CB -0.184 63.017 63.200 0.002 0.000 0.778 22 S HN 0.354 nan 8.310 nan 0.000 0.517 23 V N 4.288 124.204 119.914 0.003 0.000 2.737 23 V HA 0.223 4.343 4.120 0.000 0.000 0.320 23 V C -0.480 175.619 176.094 0.008 0.000 1.174 23 V CA -0.887 61.416 62.300 0.005 0.000 1.355 23 V CB -0.433 31.395 31.823 0.009 0.000 1.558 23 V HN 0.516 nan 8.190 nan 0.000 0.618 24 D N 0.614 121.017 120.400 0.004 0.000 2.362 24 D HA 0.085 4.725 4.640 0.000 0.000 0.242 24 D C 0.786 177.087 176.300 0.001 0.000 1.132 24 D CA -0.511 53.492 54.000 0.004 0.000 0.907 24 D CB 1.883 42.682 40.800 -0.001 0.000 1.195 24 D HN 0.231 nan 8.370 nan 0.000 0.429 25 L N 0.569 121.794 121.223 0.003 0.000 2.718 25 L HA 0.057 4.397 4.340 0.000 0.000 0.242 25 L C 1.433 178.282 176.870 -0.035 0.000 1.203 25 L CA 0.242 55.075 54.840 -0.012 0.000 1.011 25 L CB -0.466 41.589 42.059 -0.007 0.000 1.250 25 L HN 0.434 nan 8.230 nan 0.000 0.437 26 E N -0.394 119.790 120.200 -0.026 0.000 2.330 26 E HA -0.003 4.347 4.350 0.000 0.000 0.200 26 E C 1.044 177.624 176.600 -0.032 0.000 0.922 26 E CA 0.247 56.629 56.400 -0.031 0.000 0.935 26 E CB 0.609 30.295 29.700 -0.022 0.000 0.917 26 E HN 0.341 nan 8.360 nan 0.000 0.491 27 E N 0.427 120.610 120.200 -0.028 0.000 2.562 27 E HA 0.064 4.414 4.350 0.000 0.000 0.214 27 E C 0.360 176.937 176.600 -0.039 0.000 0.979 27 E CA 0.360 56.741 56.400 -0.031 0.000 1.002 27 E CB 1.456 31.142 29.700 -0.023 0.000 1.048 27 E HN 0.170 nan 8.360 nan 0.000 0.488 28 T N -2.497 112.035 114.554 -0.037 0.000 2.883 28 T HA 0.787 5.137 4.350 0.000 0.000 0.296 28 T C 0.189 174.868 174.700 -0.035 0.000 1.117 28 T CA -0.564 61.512 62.100 -0.041 0.000 1.006 28 T CB 2.596 71.448 68.868 -0.025 0.000 1.191 28 T HN -0.008 nan 8.240 nan 0.000 0.508 29 G N 0.060 108.840 108.800 -0.033 0.000 2.721 29 G HA2 0.717 4.677 3.960 0.000 0.000 0.296 29 G HA3 0.717 4.677 3.960 0.000 0.000 0.296 29 G C -1.780 173.141 174.900 0.035 0.000 1.383 29 G CA -1.148 43.953 45.100 0.002 0.000 0.788 29 G HN 0.811 nan 8.290 nan 0.000 0.500 30 R N -0.618 119.938 120.500 0.093 0.000 2.621 30 R HA 0.488 4.828 4.340 0.000 0.000 0.284 30 R C -0.872 175.492 176.300 0.107 0.000 0.998 30 R CA -0.755 55.397 56.100 0.086 0.000 0.895 30 R CB 2.692 33.035 30.300 0.073 0.000 1.195 30 R HN 0.340 nan 8.270 nan 0.000 0.450 31 V N 5.436 125.417 119.914 0.112 0.000 2.475 31 V HA -0.073 4.047 4.120 0.000 0.000 0.292 31 V C 1.611 177.753 176.094 0.080 0.000 1.003 31 V CA 0.668 63.042 62.300 0.124 0.000 1.120 31 V CB 0.181 32.095 31.823 0.152 0.000 0.937 31 V HN 0.748 nan 8.190 nan 0.000 0.476 32 L N 3.981 125.251 121.223 0.078 0.000 2.131 32 L HA 0.081 4.421 4.340 0.000 0.000 0.206 32 L C 0.967 177.854 176.870 0.029 0.000 1.087 32 L CA 1.079 55.945 54.840 0.044 0.000 0.767 32 L CB -0.021 42.069 42.059 0.052 0.000 0.917 32 L HN 0.878 nan 8.230 nan 0.000 0.441 33 S N -1.286 114.435 115.700 0.036 0.000 2.567 33 S HA 0.607 5.077 4.470 0.000 0.000 0.270 33 S C -1.151 173.457 174.600 0.013 0.000 1.152 33 S CA -0.863 57.347 58.200 0.017 0.000 0.835 33 S CB 2.487 65.693 63.200 0.009 0.000 1.115 33 S HN -0.008 nan 8.310 nan 0.000 0.459 34 I N 0.072 120.637 120.570 -0.007 0.000 2.656 34 I HA 0.899 5.069 4.170 0.000 0.000 0.292 34 I C -0.479 175.615 176.117 -0.038 0.000 1.144 34 I CA 0.197 61.478 61.300 -0.031 0.000 1.038 34 I CB 1.647 39.614 38.000 -0.054 0.000 1.244 34 I HN 1.385 nan 8.210 nan 0.000 0.420 35 G N 4.424 113.196 108.800 -0.046 0.000 2.691 35 G HA2 0.443 4.403 3.960 0.000 0.000 0.298 35 G HA3 0.443 4.403 3.960 0.000 0.000 0.298 35 G C -1.194 173.678 174.900 -0.047 0.000 1.471 35 G CA -0.493 44.583 45.100 -0.041 0.000 0.912 35 G HN 0.693 nan 8.290 nan 0.000 0.553 36 D N -0.050 120.323 120.400 -0.044 0.000 2.811 36 D HA -0.179 4.461 4.640 0.000 0.000 0.231 36 D C 1.657 177.925 176.300 -0.052 0.000 1.157 36 D CA 2.887 56.861 54.000 -0.042 0.000 0.716 36 D CB -1.107 39.671 40.800 -0.037 0.000 1.077 36 D HN 2.215 nan 8.370 nan 0.000 0.428 37 G N -1.111 107.647 108.800 -0.069 0.000 2.148 37 G HA2 -0.289 3.671 3.960 0.000 0.000 0.254 37 G HA3 -0.289 3.671 3.960 0.000 0.000 0.254 37 G C 0.152 174.993 174.900 -0.098 0.000 0.981 37 G CA 0.309 45.356 45.100 -0.089 0.000 0.670 37 G HN 0.475 nan 8.290 nan 0.000 0.528 38 I N 0.868 121.391 120.570 -0.080 0.000 2.418 38 I HA 0.675 4.845 4.170 0.000 0.000 0.287 38 I C 0.475 176.566 176.117 -0.043 0.000 1.008 38 I CA -1.067 60.196 61.300 -0.062 0.000 1.104 38 I CB 1.265 39.235 38.000 -0.050 0.000 1.264 38 I HN 0.306 nan 8.210 nan 0.000 0.438 39 A N 7.662 130.475 122.820 -0.010 0.000 2.301 39 A HA 0.695 5.015 4.320 0.000 0.000 0.312 39 A C 0.024 177.649 177.584 0.069 0.000 1.182 39 A CA -0.684 51.382 52.037 0.048 0.000 0.826 39 A CB 0.774 19.882 19.000 0.179 0.000 1.134 39 A HN 0.576 nan 8.150 nan 0.000 0.501 40 R N 2.659 123.196 120.500 0.062 0.000 2.471 40 R HA 0.301 4.641 4.340 0.000 0.000 0.292 40 R C -0.862 175.488 176.300 0.083 0.000 1.192 40 R CA -0.290 55.844 56.100 0.057 0.000 1.257 40 R CB 0.567 30.890 30.300 0.038 0.000 1.130 40 R HN 0.506 nan 8.270 nan 0.000 0.558 41 V N 3.050 123.017 119.914 0.088 0.000 2.555 41 V HA 0.040 4.160 4.120 0.000 0.000 0.286 41 V C 0.599 176.743 176.094 0.083 0.000 1.044 41 V CA -0.387 61.965 62.300 0.087 0.000 1.026 41 V CB 0.628 32.475 31.823 0.040 0.000 0.981 41 V HN 0.584 nan 8.190 nan 0.000 0.480 42 H N 2.841 121.917 119.070 0.010 0.000 2.483 42 H HA 0.672 5.228 4.556 0.000 0.000 0.338 42 H C 0.543 175.867 175.328 -0.006 0.000 1.152 42 H CA 0.963 57.012 56.048 0.003 0.000 1.264 42 H CB 1.327 31.093 29.762 0.006 0.000 1.510 42 H HN 1.007 nan 8.280 nan 0.000 0.530 43 G N 2.449 110.875 108.800 -0.623 0.000 2.520 43 G HA2 -0.257 3.703 3.960 0.000 0.000 0.248 43 G HA3 -0.257 3.703 3.960 0.000 0.000 0.248 43 G C 0.012 174.812 174.900 -0.166 0.000 1.161 43 G CA -0.320 44.606 45.100 -0.290 0.000 0.946 43 G HN 1.200 nan 8.290 nan 0.000 0.565 44 L N -0.196 120.969 121.223 -0.098 0.000 3.829 44 L HA -0.226 4.114 4.340 0.000 0.000 0.440 44 L C 2.291 179.117 176.870 -0.074 0.000 1.192 44 L CA 0.816 55.609 54.840 -0.077 0.000 0.848 44 L CB -0.667 41.348 42.059 -0.074 0.000 1.744 44 L HN 0.614 nan 8.230 nan 0.000 0.920 45 R N 0.406 120.859 120.500 -0.077 0.000 2.159 45 R HA -0.073 4.267 4.340 0.000 0.000 0.237 45 R C 1.289 177.563 176.300 -0.044 0.000 1.131 45 R CA 1.292 57.354 56.100 -0.064 0.000 0.982 45 R CB -0.288 29.975 30.300 -0.060 0.000 0.868 45 R HN 0.597 nan 8.270 nan 0.000 0.453 46 N N 0.202 118.879 118.700 -0.038 0.000 2.214 46 N HA 0.033 4.773 4.740 0.000 0.000 0.214 46 N C -0.005 175.490 175.510 -0.025 0.000 1.132 46 N CA -0.010 53.024 53.050 -0.027 0.000 0.856 46 N CB 0.674 39.148 38.487 -0.022 0.000 1.020 46 N HN -0.048 nan 8.380 nan 0.000 0.509 47 V N -0.266 119.630 119.914 -0.030 0.000 3.051 47 V HA 0.162 4.282 4.120 0.000 0.000 0.306 47 V C 0.444 176.529 176.094 -0.015 0.000 1.083 47 V CA -0.629 61.656 62.300 -0.025 0.000 1.104 47 V CB 0.579 32.384 31.823 -0.030 0.000 1.027 47 V HN 0.067 nan 8.190 nan 0.000 0.483 48 Q N 1.590 121.386 119.800 -0.007 0.000 2.257 48 Q HA 0.705 5.045 4.340 0.000 0.000 0.262 48 Q C -0.028 175.975 176.000 0.005 0.000 0.997 48 Q CA -0.700 55.103 55.803 -0.000 0.000 0.873 48 Q CB 1.811 30.552 28.738 0.004 0.000 1.312 48 Q HN 1.066 nan 8.270 nan 0.000 0.450 49 A N 1.636 124.461 122.820 0.008 0.000 2.531 49 A HA -0.002 4.318 4.320 0.000 0.000 0.236 49 A C 0.263 177.859 177.584 0.021 0.000 1.062 49 A CA 0.459 52.504 52.037 0.013 0.000 0.760 49 A CB -0.240 18.770 19.000 0.016 0.000 0.995 49 A HN 0.988 nan 8.150 nan 0.000 0.501 50 E N -1.006 119.211 120.200 0.028 0.000 3.413 50 E HA -0.199 4.151 4.350 0.000 0.000 0.300 50 E C 0.217 176.848 176.600 0.052 0.000 0.891 50 E CA 1.274 57.700 56.400 0.044 0.000 1.050 50 E CB -1.211 28.510 29.700 0.035 0.000 1.534 50 E HN 0.900 nan 8.360 nan 0.000 0.436 51 E N 0.395 120.619 120.200 0.039 0.000 2.318 51 E HA 0.413 4.763 4.350 0.000 0.000 0.265 51 E C -0.192 176.445 176.600 0.061 0.000 1.069 51 E CA -0.468 55.957 56.400 0.040 0.000 0.893 51 E CB 0.916 30.626 29.700 0.018 0.000 1.076 51 E HN 0.121 nan 8.360 nan 0.000 0.414 52 M N 3.886 123.529 119.600 0.072 0.000 2.249 52 M HA 0.267 4.747 4.480 0.000 0.000 0.351 52 M C -0.864 175.460 176.300 0.039 0.000 1.180 52 M CA -0.543 54.818 55.300 0.102 0.000 1.127 52 M CB 1.065 33.746 32.600 0.135 0.000 1.546 52 M HN 0.407 nan 8.290 nan 0.000 0.461 53 V N 1.361 121.284 119.914 0.016 0.000 3.046 53 V HA 0.727 4.848 4.120 0.000 0.000 0.316 53 V C -1.121 174.907 176.094 -0.110 0.000 1.104 53 V CA -0.788 61.457 62.300 -0.091 0.000 1.006 53 V CB 2.068 33.773 31.823 -0.196 0.000 1.058 53 V HN 0.914 nan 8.190 nan 0.000 0.440 54 E N 1.028 121.114 120.200 -0.191 0.000 2.256 54 E HA 0.603 4.953 4.350 0.000 0.000 0.267 54 E C -1.799 174.615 176.600 -0.310 0.000 0.892 54 E CA -0.464 55.863 56.400 -0.123 0.000 0.775 54 E CB 2.589 32.274 29.700 -0.024 0.000 1.207 54 E HN 0.609 nan 8.360 nan 0.000 0.420 55 F N 0.709 120.678 119.950 0.031 0.000 2.399 55 F HA 0.113 4.640 4.527 0.000 0.000 0.328 55 F C 1.659 177.472 175.800 0.023 0.000 1.084 55 F CA -0.273 57.741 58.000 0.024 0.000 1.053 55 F CB 1.599 40.612 39.000 0.022 0.000 1.209 55 F HN 0.466 nan 8.300 nan 0.000 0.502 56 S N -0.077 115.736 115.700 0.189 0.000 2.389 56 S HA -0.259 4.211 4.470 0.000 0.000 0.231 56 S C 1.693 176.359 174.600 0.110 0.000 1.052 56 S CA 1.772 60.040 58.200 0.113 0.000 1.053 56 S CB -0.792 62.467 63.200 0.098 0.000 0.886 56 S HN 0.682 nan 8.310 nan 0.000 0.456 57 S N 0.876 116.660 115.700 0.139 0.000 2.803 57 S HA 0.395 4.866 4.470 0.000 0.000 0.226 57 S C 1.519 176.182 174.600 0.104 0.000 0.962 57 S CA 0.356 58.616 58.200 0.101 0.000 0.968 57 S CB -0.685 62.560 63.200 0.075 0.000 0.786 57 S HN 0.977 nan 8.310 nan 0.000 0.527 58 G N 0.172 109.044 108.800 0.119 0.000 2.189 58 G HA2 -0.267 3.693 3.960 0.000 0.000 0.267 58 G HA3 -0.267 3.693 3.960 0.000 0.000 0.267 58 G C -0.099 174.884 174.900 0.137 0.000 0.975 58 G CA 0.291 45.454 45.100 0.105 0.000 0.644 58 G HN 0.528 nan 8.290 nan 0.000 0.537 59 L N 0.946 122.281 121.223 0.188 0.000 2.319 59 L HA 0.581 4.921 4.340 0.000 0.000 0.280 59 L C 0.672 177.761 176.870 0.365 0.000 1.099 59 L CA -0.108 54.862 54.840 0.215 0.000 0.828 59 L CB 0.929 43.062 42.059 0.123 0.000 1.150 59 L HN 0.196 nan 8.230 nan 0.000 0.442 60 K N 1.979 122.574 120.400 0.325 0.000 2.118 60 K HA 0.739 5.060 4.320 0.000 0.000 0.267 60 K C -0.008 176.862 176.600 0.449 0.000 0.991 60 K CA -0.310 56.200 56.287 0.371 0.000 0.916 60 K CB 1.373 34.071 32.500 0.331 0.000 1.041 60 K HN 0.809 nan 8.250 nan 0.000 0.455 61 G N 0.898 109.916 108.800 0.364 0.000 2.766 61 G HA2 0.631 4.591 3.960 0.000 0.000 0.288 61 G HA3 0.631 4.591 3.960 0.000 0.000 0.288 61 G C -1.738 173.171 174.900 0.015 0.000 1.408 61 G CA -0.711 44.447 45.100 0.098 0.000 0.852 61 G HN 0.518 nan 8.290 nan 0.000 0.487 62 M N 0.637 120.140 119.600 -0.163 0.000 2.326 62 M HA 0.517 4.997 4.480 0.000 0.000 0.292 62 M C -0.776 175.515 176.300 -0.015 0.000 1.081 62 M CA -0.570 54.727 55.300 -0.004 0.000 0.919 62 M CB 2.166 34.803 32.600 0.062 0.000 1.634 62 M HN 0.415 nan 8.290 nan 0.000 0.451 63 S N 4.116 119.826 115.700 0.015 0.000 2.686 63 S HA 0.173 4.644 4.470 0.000 0.000 0.324 63 S C 0.734 175.339 174.600 0.008 0.000 1.172 63 S CA -0.434 57.769 58.200 0.004 0.000 1.127 63 S CB -0.090 63.112 63.200 0.002 0.000 1.338 63 S HN 0.609 nan 8.310 nan 0.000 0.547 64 L N 3.867 125.088 121.223 -0.003 0.000 2.200 64 L HA 0.345 4.685 4.340 0.000 0.000 0.200 64 L C 0.524 177.396 176.870 0.003 0.000 1.072 64 L CA 1.194 56.035 54.840 0.001 0.000 0.787 64 L CB -0.730 41.320 42.059 -0.015 0.000 0.957 64 L HN 0.368 nan 8.230 nan 0.000 0.459 65 N N 0.231 118.929 118.700 -0.003 0.000 2.457 65 N HA 0.384 5.124 4.740 0.000 0.000 0.250 65 N C -0.968 174.541 175.510 -0.002 0.000 0.982 65 N CA 0.049 53.099 53.050 -0.001 0.000 0.941 65 N CB 0.802 39.287 38.487 -0.004 0.000 1.120 65 N HN -0.025 nan 8.380 nan 0.000 0.505 66 L N 1.965 123.188 121.223 -0.001 0.000 2.287 66 L HA 0.390 4.730 4.340 0.000 0.000 0.280 66 L C 0.478 177.344 176.870 -0.007 0.000 1.055 66 L CA -0.417 54.419 54.840 -0.007 0.000 0.863 66 L CB 0.420 42.475 42.059 -0.007 0.000 1.245 66 L HN 0.343 nan 8.230 nan 0.000 0.432 67 E N 3.225 123.421 120.200 -0.008 0.000 2.250 67 E HA 0.262 4.612 4.350 0.000 0.000 0.265 67 E C -1.505 175.088 176.600 -0.011 0.000 1.033 67 E CA -1.706 54.690 56.400 -0.006 0.000 0.888 67 E CB 1.231 30.930 29.700 -0.001 0.000 1.151 67 E HN 0.247 nan 8.360 nan 0.000 0.412 68 P HA -0.226 nan 4.420 nan 0.000 0.215 68 P C 0.530 177.821 177.300 -0.014 0.000 1.163 68 P CA 1.577 64.671 63.100 -0.009 0.000 0.894 68 P CB 0.111 31.810 31.700 -0.002 0.000 0.791 69 D N -1.968 118.431 120.400 -0.003 0.000 2.395 69 D HA 0.042 4.682 4.640 0.000 0.000 0.213 69 D C 0.094 176.397 176.300 0.006 0.000 1.110 69 D CA -0.128 53.875 54.000 0.006 0.000 0.835 69 D CB -0.452 40.370 40.800 0.038 0.000 0.965 69 D HN 0.384 nan 8.370 nan 0.000 0.505 70 N N -1.602 117.093 118.700 -0.007 0.000 3.046 70 N HA 0.362 5.102 4.740 0.000 0.000 0.243 70 N C -1.966 173.538 175.510 -0.011 0.000 1.452 70 N CA -0.969 52.081 53.050 0.001 0.000 0.882 70 N CB 1.661 40.170 38.487 0.037 0.000 1.425 70 N HN -0.214 nan 8.380 nan 0.000 0.517 71 V N -0.076 119.834 119.914 -0.005 0.000 2.409 71 V HA 0.749 4.869 4.120 0.000 0.000 0.291 71 V C 0.525 176.625 176.094 0.009 0.000 1.020 71 V CA -0.655 61.641 62.300 -0.007 0.000 0.848 71 V CB 1.214 33.026 31.823 -0.019 0.000 0.990 71 V HN 0.887 nan 8.190 nan 0.000 0.430 72 G N 3.802 112.604 108.800 0.004 0.000 2.356 72 G HA2 0.494 4.454 3.960 0.000 0.000 0.300 72 G HA3 0.494 4.454 3.960 0.000 0.000 0.300 72 G C -0.601 174.301 174.900 0.004 0.000 1.107 72 G CA -0.158 44.944 45.100 0.004 0.000 0.960 72 G HN 0.534 nan 8.290 nan 0.000 0.418 73 V N 3.820 123.750 119.914 0.027 0.000 2.398 73 V HA 0.237 4.357 4.120 0.000 0.000 0.286 73 V C 0.293 176.380 176.094 -0.012 0.000 1.026 73 V CA -0.745 61.577 62.300 0.036 0.000 0.868 73 V CB 1.658 33.571 31.823 0.150 0.000 0.982 73 V HN 0.476 nan 8.190 nan 0.000 0.443 74 V N 6.015 125.869 119.914 -0.099 0.000 2.498 74 V HA 0.285 4.405 4.120 0.000 0.000 0.279 74 V C 0.065 175.971 176.094 -0.313 0.000 1.048 74 V CA -0.213 61.968 62.300 -0.198 0.000 0.967 74 V CB 1.836 33.526 31.823 -0.221 0.000 0.988 74 V HN 0.634 nan 8.190 nan 0.000 0.473 75 V N 6.039 125.791 119.914 -0.270 0.000 2.370 75 V HA 0.332 4.452 4.120 0.000 0.000 0.279 75 V C -0.093 175.876 176.094 -0.207 0.000 1.029 75 V CA -0.462 61.684 62.300 -0.256 0.000 0.870 75 V CB 1.132 32.804 31.823 -0.253 0.000 0.984 75 V HN 0.694 nan 8.190 nan 0.000 0.451 76 F N 4.496 124.488 119.950 0.071 0.000 2.666 76 F HA 0.606 5.133 4.527 0.000 0.000 0.362 76 F C 1.170 176.996 175.800 0.042 0.000 1.190 76 F CA 0.120 58.162 58.000 0.071 0.000 1.328 76 F CB -0.267 38.787 39.000 0.091 0.000 1.682 76 F HN 0.725 nan 8.300 nan 0.000 0.623 77 G N 0.239 109.122 108.800 0.138 0.000 2.343 77 G HA2 -0.024 3.936 3.960 0.000 0.000 0.289 77 G HA3 -0.024 3.936 3.960 0.000 0.000 0.289 77 G C -1.468 173.438 174.900 0.011 0.000 1.295 77 G CA -1.278 43.869 45.100 0.079 0.000 0.869 77 G HN 0.048 nan 8.290 nan 0.000 0.522 78 N N 1.545 120.246 118.700 0.002 0.000 2.427 78 N HA 0.064 4.804 4.740 0.000 0.000 0.269 78 N C 1.187 176.657 175.510 -0.065 0.000 1.235 78 N CA 0.506 53.543 53.050 -0.022 0.000 0.934 78 N CB 0.731 39.213 38.487 -0.009 0.000 1.121 78 N HN 0.601 nan 8.380 nan 0.000 0.480 79 D N 3.318 123.665 120.400 -0.089 0.000 2.392 79 D HA -0.179 4.461 4.640 0.000 0.000 0.228 79 D C 1.106 177.345 176.300 -0.102 0.000 1.003 79 D CA 0.382 54.298 54.000 -0.139 0.000 0.917 79 D CB 0.090 40.803 40.800 -0.146 0.000 0.890 79 D HN 0.705 nan 8.370 nan 0.000 0.532 80 K N 1.101 121.462 120.400 -0.064 0.000 2.283 80 K HA -0.108 4.212 4.320 0.000 0.000 0.202 80 K C 1.854 178.428 176.600 -0.043 0.000 1.048 80 K CA 0.609 56.870 56.287 -0.044 0.000 0.948 80 K CB -0.353 32.132 32.500 -0.026 0.000 0.742 80 K HN 0.197 nan 8.250 nan 0.000 0.458 81 L N 1.233 122.425 121.223 -0.051 0.000 2.591 81 L HA 0.253 4.593 4.340 0.000 0.000 0.228 81 L C 0.461 177.303 176.870 -0.046 0.000 1.133 81 L CA -0.102 54.717 54.840 -0.035 0.000 0.880 81 L CB -0.095 41.952 42.059 -0.021 0.000 1.033 81 L HN 0.108 nan 8.230 nan 0.000 0.450 82 I N 0.176 120.692 120.570 -0.090 0.000 2.377 82 I HA 0.287 4.457 4.170 0.000 0.000 0.293 82 I C -0.141 175.948 176.117 -0.047 0.000 0.987 82 I CA -0.258 60.984 61.300 -0.097 0.000 1.185 82 I CB 1.395 39.234 38.000 -0.269 0.000 1.341 82 I HN 0.020 nan 8.210 nan 0.000 0.455 83 K N 4.425 124.824 120.400 -0.001 0.000 2.444 83 K HA 0.405 4.725 4.320 0.000 0.000 0.252 83 K C -0.824 175.791 176.600 0.026 0.000 0.993 83 K CA -1.014 55.276 56.287 0.005 0.000 0.847 83 K CB 2.011 34.516 32.500 0.009 0.000 1.340 83 K HN 0.518 nan 8.250 nan 0.000 0.446 84 E N 0.210 120.421 120.200 0.017 0.000 2.442 84 E HA -0.014 4.336 4.350 0.000 0.000 0.262 84 E C 0.532 177.150 176.600 0.030 0.000 1.004 84 E CA 1.434 57.849 56.400 0.024 0.000 0.928 84 E CB 0.121 29.827 29.700 0.010 0.000 0.937 84 E HN 0.752 nan 8.360 nan 0.000 0.446 85 G N 3.894 112.717 108.800 0.039 0.000 2.284 85 G HA2 -0.256 3.704 3.960 0.000 0.000 0.230 85 G HA3 -0.256 3.704 3.960 0.000 0.000 0.230 85 G C -0.060 174.872 174.900 0.054 0.000 1.021 85 G CA 0.099 45.220 45.100 0.035 0.000 0.619 85 G HN 0.687 nan 8.290 nan 0.000 0.510 86 D N 0.630 121.076 120.400 0.077 0.000 2.474 86 D HA 0.328 4.968 4.640 0.000 0.000 0.232 86 D C 0.663 177.018 176.300 0.091 0.000 1.177 86 D CA 0.251 54.311 54.000 0.100 0.000 0.876 86 D CB 0.510 41.407 40.800 0.162 0.000 1.208 86 D HN 0.286 nan 8.370 nan 0.000 0.464 87 I N 1.403 122.012 120.570 0.066 0.000 2.428 87 I HA 0.136 4.306 4.170 0.000 0.000 0.289 87 I C -0.395 175.708 176.117 -0.024 0.000 1.019 87 I CA -0.187 61.127 61.300 0.023 0.000 1.351 87 I CB 1.284 39.291 38.000 0.013 0.000 1.412 87 I HN 0.016 nan 8.210 nan 0.000 0.513 88 V N 6.768 126.622 119.914 -0.101 0.000 2.540 88 V HA 0.502 4.622 4.120 0.000 0.000 0.302 88 V C -0.295 175.685 176.094 -0.190 0.000 1.035 88 V CA -1.017 61.112 62.300 -0.286 0.000 0.873 88 V CB 1.617 33.180 31.823 -0.434 0.000 0.992 88 V HN 0.554 nan 8.190 nan 0.000 0.428 89 K N 3.670 123.953 120.400 -0.194 0.000 2.270 89 K HA 0.628 4.948 4.320 0.000 0.000 0.255 89 K C -0.264 176.270 176.600 -0.109 0.000 0.936 89 K CA -0.871 55.348 56.287 -0.114 0.000 0.809 89 K CB 2.606 35.063 32.500 -0.072 0.000 1.131 89 K HN 0.590 nan 8.250 nan 0.000 0.427 90 R N 0.228 120.682 120.500 -0.075 0.000 2.893 90 R HA 0.072 4.412 4.340 0.000 0.000 0.279 90 R C 0.633 176.911 176.300 -0.037 0.000 1.076 90 R CA 0.144 56.210 56.100 -0.056 0.000 1.203 90 R CB 0.222 30.499 30.300 -0.039 0.000 1.137 90 R HN 0.568 nan 8.270 nan 0.000 0.541 91 T N -0.991 113.551 114.554 -0.020 0.000 2.969 91 T HA 0.169 4.520 4.350 0.000 0.000 0.258 91 T C 1.012 175.712 174.700 -0.001 0.000 0.962 91 T CA 0.397 62.494 62.100 -0.006 0.000 0.903 91 T CB 0.704 69.577 68.868 0.008 0.000 1.177 91 T HN 0.895 nan 8.240 nan 0.000 0.511 92 G N 1.889 110.687 108.800 -0.004 0.000 2.189 92 G HA2 -0.150 3.810 3.960 0.000 0.000 0.267 92 G HA3 -0.150 3.810 3.960 0.000 0.000 0.267 92 G C 0.204 175.107 174.900 0.006 0.000 0.975 92 G CA 0.245 45.345 45.100 -0.001 0.000 0.644 92 G HN 0.958 nan 8.290 nan 0.000 0.537 93 A N 0.689 123.516 122.820 0.011 0.000 2.318 93 A HA 0.752 5.072 4.320 0.000 0.000 0.324 93 A C 0.420 178.020 177.584 0.026 0.000 1.170 93 A CA -0.722 51.325 52.037 0.017 0.000 0.810 93 A CB 0.827 19.837 19.000 0.016 0.000 1.198 93 A HN 0.512 nan 8.150 nan 0.000 0.484 94 I N 2.628 123.212 120.570 0.024 0.000 2.648 94 I HA 0.023 4.194 4.170 0.000 0.000 0.284 94 I C 0.610 176.749 176.117 0.036 0.000 1.153 94 I CA 0.092 61.411 61.300 0.031 0.000 1.426 94 I CB 0.767 38.781 38.000 0.023 0.000 1.381 94 I HN 0.382 nan 8.210 nan 0.000 0.571 95 V N 6.799 126.746 119.914 0.055 0.000 2.678 95 V HA -0.139 3.981 4.120 0.000 0.000 0.304 95 V C 0.282 176.387 176.094 0.017 0.000 1.086 95 V CA 0.622 62.953 62.300 0.052 0.000 1.246 95 V CB -0.542 31.335 31.823 0.090 0.000 0.861 95 V HN 0.973 nan 8.190 nan 0.000 0.491 96 D N 3.516 123.917 120.400 0.001 0.000 2.812 96 D HA 0.794 5.434 4.640 0.000 0.000 0.318 96 D C -0.644 175.642 176.300 -0.024 0.000 1.234 96 D CA -0.344 53.652 54.000 -0.006 0.000 0.989 96 D CB 2.062 42.864 40.800 0.002 0.000 1.442 96 D HN 0.667 nan 8.370 nan 0.000 0.537 97 V N -6.115 113.787 119.914 -0.019 0.000 3.225 97 V HA 0.626 4.746 4.120 0.000 0.000 0.293 97 V C -3.009 173.067 176.094 -0.030 0.000 1.405 97 V CA -2.009 60.273 62.300 -0.030 0.000 1.038 97 V CB 1.358 33.162 31.823 -0.032 0.000 1.123 97 V HN 0.575 nan 8.190 nan 0.000 0.447 98 P HA 0.269 nan 4.420 nan 0.000 0.266 98 P C -0.607 176.646 177.300 -0.078 0.000 1.186 98 P CA 0.403 63.468 63.100 -0.058 0.000 0.767 98 P CB 0.786 32.452 31.700 -0.057 0.000 0.820 99 V N 1.201 121.034 119.914 -0.135 0.000 3.147 99 V HA 0.826 4.946 4.120 0.000 0.000 0.306 99 V C 0.152 175.944 176.094 -0.502 0.000 1.209 99 V CA 0.452 62.623 62.300 -0.215 0.000 1.023 99 V CB 2.124 33.886 31.823 -0.101 0.000 1.059 99 V HN 1.038 nan 8.190 nan 0.000 0.435 100 G N 2.554 110.801 108.800 -0.921 0.000 2.423 100 G HA2 -0.050 3.910 3.960 0.000 0.000 0.684 100 G HA3 -0.050 3.910 3.960 0.000 0.000 0.684 100 G C 0.040 174.464 174.900 -0.792 0.000 1.309 100 G CA 0.161 44.337 45.100 -1.540 0.000 0.950 100 G HN 0.769 nan 8.290 nan 0.000 0.587 101 E N -0.248 119.571 120.200 -0.635 0.000 2.267 101 E HA -0.082 4.268 4.350 0.000 0.000 0.197 101 E C 2.137 178.672 176.600 -0.109 0.000 0.998 101 E CA 1.773 58.042 56.400 -0.217 0.000 0.830 101 E CB 0.023 29.650 29.700 -0.122 0.000 0.751 101 E HN 0.549 nan 8.360 nan 0.000 0.491 102 E N -0.087 120.022 120.200 -0.152 0.000 2.153 102 E HA -0.165 4.185 4.350 0.000 0.000 0.194 102 E C 1.696 178.267 176.600 -0.047 0.000 0.988 102 E CA 0.718 57.069 56.400 -0.083 0.000 0.811 102 E CB -0.051 29.595 29.700 -0.090 0.000 0.746 102 E HN 0.277 nan 8.360 nan 0.000 0.466 103 L N 0.262 121.453 121.223 -0.053 0.000 2.217 103 L HA -0.028 4.312 4.340 0.000 0.000 0.211 103 L C 0.532 177.421 176.870 0.031 0.000 1.107 103 L CA 0.075 54.910 54.840 -0.009 0.000 0.783 103 L CB -0.500 41.554 42.059 -0.008 0.000 0.919 103 L HN 0.075 nan 8.230 nan 0.000 0.442 104 L N 0.526 121.787 121.223 0.064 0.000 2.573 104 L HA -0.003 4.337 4.340 0.000 0.000 0.290 104 L C 1.530 178.428 176.870 0.046 0.000 1.247 104 L CA 0.761 55.653 54.840 0.086 0.000 0.876 104 L CB -0.515 41.627 42.059 0.139 0.000 1.123 104 L HN 0.388 nan 8.230 nan 0.000 0.505 105 G N 1.724 110.538 108.800 0.022 0.000 2.168 105 G HA2 -0.261 3.699 3.960 0.000 0.000 0.263 105 G HA3 -0.261 3.699 3.960 0.000 0.000 0.263 105 G C 0.361 175.259 174.900 -0.004 0.000 0.977 105 G CA 0.019 45.116 45.100 -0.005 0.000 0.659 105 G HN 0.603 nan 8.290 nan 0.000 0.533 106 R N -0.802 119.701 120.500 0.006 0.000 2.778 106 R HA 0.603 4.943 4.340 0.000 0.000 0.277 106 R C -0.628 175.677 176.300 0.009 0.000 0.977 106 R CA -0.801 55.301 56.100 0.004 0.000 0.950 106 R CB 2.281 32.583 30.300 0.003 0.000 1.165 106 R HN 0.102 nan 8.270 nan 0.000 0.474 107 V N 3.301 123.221 119.914 0.009 0.000 2.311 107 V HA 0.225 4.345 4.120 0.000 0.000 0.275 107 V C 0.325 176.429 176.094 0.016 0.000 1.022 107 V CA -0.671 61.639 62.300 0.017 0.000 0.830 107 V CB 0.987 32.820 31.823 0.016 0.000 1.012 107 V HN 0.546 nan 8.190 nan 0.000 0.452 108 V N 1.520 121.445 119.914 0.018 0.000 2.975 108 V HA 0.789 4.909 4.120 0.000 0.000 0.318 108 V C -0.014 176.087 176.094 0.011 0.000 1.077 108 V CA -0.817 61.489 62.300 0.010 0.000 1.000 108 V CB 1.961 33.785 31.823 0.003 0.000 1.066 108 V HN 0.751 nan 8.190 nan 0.000 0.452 109 D N 2.006 122.408 120.400 0.004 0.000 2.478 109 D HA 0.432 5.072 4.640 0.000 0.000 0.274 109 D C 1.113 177.405 176.300 -0.013 0.000 1.234 109 D CA -0.048 53.954 54.000 0.003 0.000 1.069 109 D CB 0.908 41.711 40.800 0.005 0.000 1.113 109 D HN 0.793 nan 8.370 nan 0.000 0.571 110 A N -0.951 121.857 122.820 -0.021 0.000 2.216 110 A HA 0.030 4.350 4.320 0.000 0.000 0.214 110 A C 2.010 179.534 177.584 -0.100 0.000 1.160 110 A CA 0.685 52.693 52.037 -0.049 0.000 0.725 110 A CB -0.764 18.213 19.000 -0.038 0.000 0.784 110 A HN 0.502 nan 8.150 nan 0.000 0.472 111 L N -2.664 118.497 121.223 -0.103 0.000 2.664 111 L HA 0.328 4.668 4.340 0.000 0.000 0.233 111 L C 1.665 178.491 176.870 -0.073 0.000 1.113 111 L CA 0.609 55.371 54.840 -0.130 0.000 0.896 111 L CB 0.453 42.412 42.059 -0.167 0.000 1.163 111 L HN 0.498 nan 8.230 nan 0.000 0.497 112 G N -0.730 108.043 108.800 -0.046 0.000 2.352 112 G HA2 -0.228 3.732 3.960 0.000 0.000 0.204 112 G HA3 -0.228 3.732 3.960 0.000 0.000 0.204 112 G C 0.187 175.074 174.900 -0.022 0.000 1.004 112 G CA -0.575 44.506 45.100 -0.032 0.000 0.648 112 G HN 0.245 nan 8.290 nan 0.000 0.491 113 N N 1.973 120.661 118.700 -0.020 0.000 2.356 113 N HA 0.420 5.160 4.740 0.000 0.000 0.252 113 N C 0.742 176.250 175.510 -0.004 0.000 1.241 113 N CA 0.919 53.963 53.050 -0.009 0.000 0.861 113 N CB 0.957 39.442 38.487 -0.004 0.000 1.075 113 N HN 0.866 nan 8.380 nan 0.000 0.461 114 A N 1.915 124.734 122.820 -0.003 0.000 2.386 114 A HA 0.327 4.647 4.320 0.000 0.000 0.248 114 A C 1.323 178.910 177.584 0.005 0.000 1.082 114 A CA -0.307 51.730 52.037 0.001 0.000 0.789 114 A CB -0.083 18.917 19.000 -0.001 0.000 1.025 114 A HN 0.827 nan 8.150 nan 0.000 0.490 115 I N -1.958 118.616 120.570 0.008 0.000 4.310 115 I HA 0.258 4.428 4.170 0.000 0.000 0.328 115 I C -0.092 176.030 176.117 0.009 0.000 1.406 115 I CA -0.022 61.284 61.300 0.011 0.000 1.174 115 I CB 0.481 38.491 38.000 0.016 0.000 1.279 115 I HN 0.437 nan 8.210 nan 0.000 0.471 116 D N 1.145 121.549 120.400 0.006 0.000 2.342 116 D HA 0.150 4.790 4.640 0.000 0.000 0.221 116 D C 1.576 177.877 176.300 0.002 0.000 1.101 116 D CA 0.220 54.221 54.000 0.003 0.000 0.837 116 D CB -0.097 40.703 40.800 0.000 0.000 0.938 116 D HN 0.382 nan 8.370 nan 0.000 0.508 117 G N 1.194 109.996 108.800 0.004 0.000 2.449 117 G HA2 -0.390 3.570 3.960 0.000 0.000 0.304 117 G HA3 -0.390 3.570 3.960 0.000 0.000 0.304 117 G C 0.615 175.516 174.900 0.001 0.000 0.962 117 G CA 0.561 45.662 45.100 0.003 0.000 0.943 117 G HN 0.461 nan 8.290 nan 0.000 0.514 118 K N -0.041 120.359 120.400 0.000 0.000 2.576 118 K HA 0.469 4.789 4.320 0.000 0.000 0.209 118 K C 1.191 177.790 176.600 -0.001 0.000 1.049 118 K CA 0.329 56.615 56.287 -0.001 0.000 1.140 118 K CB 0.176 32.675 32.500 -0.002 0.000 0.871 118 K HN 1.304 nan 8.250 nan 0.000 0.479 119 G N 2.112 110.912 108.800 -0.001 0.000 2.699 119 G HA2 -0.167 3.793 3.960 0.000 0.000 0.686 119 G HA3 -0.167 3.793 3.960 0.000 0.000 0.686 119 G C -2.881 172.016 174.900 -0.004 0.000 1.301 119 G CA -1.333 43.766 45.100 -0.002 0.000 0.816 119 G HN 0.009 nan 8.290 nan 0.000 0.595 120 P HA 0.429 nan 4.420 nan 0.000 0.270 120 P C 0.448 177.741 177.300 -0.012 0.000 1.223 120 P CA -0.455 62.640 63.100 -0.008 0.000 0.785 120 P CB 0.405 32.100 31.700 -0.008 0.000 0.923 121 I N 0.847 121.407 120.570 -0.017 0.000 2.474 121 I HA 0.166 4.336 4.170 0.000 0.000 0.287 121 I C 1.489 177.588 176.117 -0.031 0.000 1.048 121 I CA 0.003 61.288 61.300 -0.025 0.000 1.383 121 I CB 0.385 38.366 38.000 -0.032 0.000 1.412 121 I HN 0.460 nan 8.210 nan 0.000 0.531 122 G N 4.654 113.433 108.800 -0.035 0.000 3.541 122 G HA2 0.164 4.124 3.960 0.000 0.000 0.253 122 G HA3 0.164 4.124 3.960 0.000 0.000 0.253 122 G C 0.345 175.214 174.900 -0.052 0.000 1.017 122 G CA -0.208 44.871 45.100 -0.036 0.000 1.832 122 G HN 0.556 nan 8.290 nan 0.000 0.649 123 S N -0.105 115.560 115.700 -0.058 0.000 2.531 123 S HA 0.187 4.657 4.470 0.000 0.000 0.279 123 S C 1.078 175.640 174.600 -0.062 0.000 1.305 123 S CA -0.155 57.998 58.200 -0.078 0.000 1.058 123 S CB 1.403 64.555 63.200 -0.080 0.000 0.899 123 S HN 0.583 nan 8.310 nan 0.000 0.493 124 K N 1.230 121.586 120.400 -0.073 0.000 2.391 124 K HA 0.336 4.656 4.320 0.000 0.000 0.197 124 K C 0.333 176.908 176.600 -0.042 0.000 1.087 124 K CA 0.006 56.265 56.287 -0.048 0.000 1.012 124 K CB 0.698 33.175 32.500 -0.038 0.000 0.925 124 K HN 0.546 nan 8.250 nan 0.000 0.547 125 A N 1.542 124.322 122.820 -0.066 0.000 2.356 125 A HA 0.711 5.031 4.320 0.000 0.000 0.323 125 A C -0.775 176.781 177.584 -0.046 0.000 1.119 125 A CA -0.689 51.323 52.037 -0.041 0.000 0.790 125 A CB 1.113 20.095 19.000 -0.030 0.000 1.273 125 A HN 0.074 nan 8.150 nan 0.000 0.452 126 R N -0.623 119.867 120.500 -0.018 0.000 2.867 126 R HA 0.793 5.133 4.340 0.000 0.000 0.268 126 R C -1.024 175.279 176.300 0.006 0.000 1.014 126 R CA -0.908 55.183 56.100 -0.015 0.000 0.946 126 R CB 2.352 32.645 30.300 -0.011 0.000 1.208 126 R HN 0.748 nan 8.270 nan 0.000 0.477 127 R N 0.390 120.894 120.500 0.008 0.000 2.561 127 R HA 0.261 4.602 4.340 0.000 0.000 0.266 127 R C -1.354 174.957 176.300 0.018 0.000 1.091 127 R CA -0.638 55.476 56.100 0.023 0.000 0.927 127 R CB 1.428 31.751 30.300 0.038 0.000 1.240 127 R HN 0.486 nan 8.270 nan 0.000 0.449 128 R N 2.434 122.946 120.500 0.021 0.000 2.489 128 R HA 0.048 4.388 4.340 0.000 0.000 0.287 128 R C 1.331 177.643 176.300 0.019 0.000 1.053 128 R CA 0.443 56.553 56.100 0.016 0.000 1.036 128 R CB 0.737 31.046 30.300 0.015 0.000 0.966 128 R HN 0.618 nan 8.270 nan 0.000 0.432 129 V N 1.257 121.177 119.914 0.011 0.000 2.515 129 V HA -0.006 4.114 4.120 0.000 0.000 0.250 129 V C 1.033 177.144 176.094 0.028 0.000 1.058 129 V CA 1.585 63.902 62.300 0.028 0.000 1.064 129 V CB -0.380 31.451 31.823 0.013 0.000 0.675 129 V HN 0.774 nan 8.190 nan 0.000 0.461 130 G N 1.267 110.051 108.800 -0.027 0.000 3.288 130 G HA2 0.634 4.594 3.960 0.000 0.000 0.337 130 G HA3 0.634 4.594 3.960 0.000 0.000 0.337 130 G C -0.720 174.169 174.900 -0.018 0.000 1.142 130 G CA -0.414 44.648 45.100 -0.063 0.000 1.304 130 G HN 0.369 nan 8.290 nan 0.000 0.475 131 L N 1.049 122.280 121.223 0.014 0.000 2.346 131 L HA 0.474 4.814 4.340 0.000 0.000 0.276 131 L C 0.563 177.448 176.870 0.025 0.000 1.006 131 L CA -1.033 53.819 54.840 0.020 0.000 0.817 131 L CB 2.416 44.492 42.059 0.029 0.000 1.272 131 L HN 0.249 nan 8.230 nan 0.000 0.421 132 K N 1.584 121.999 120.400 0.025 0.000 2.380 132 K HA 0.367 4.687 4.320 0.000 0.000 0.267 132 K C -0.020 176.593 176.600 0.022 0.000 0.990 132 K CA -0.211 56.094 56.287 0.031 0.000 0.946 132 K CB 0.829 33.350 32.500 0.035 0.000 0.937 132 K HN 0.697 nan 8.250 nan 0.000 0.491 133 A N 4.820 127.652 122.820 0.019 0.000 2.407 133 A HA 0.266 4.586 4.320 0.000 0.000 0.248 133 A C -2.109 175.467 177.584 -0.014 0.000 1.082 133 A CA -1.284 50.756 52.037 0.005 0.000 0.785 133 A CB -0.340 18.663 19.000 0.005 0.000 1.020 133 A HN 0.604 nan 8.150 nan 0.000 0.489 134 P HA 0.080 nan 4.420 nan 0.000 0.264 134 P C 0.728 177.982 177.300 -0.077 0.000 1.183 134 P CA 0.606 63.656 63.100 -0.084 0.000 0.763 134 P CB 0.248 31.863 31.700 -0.141 0.000 0.807 135 G N 1.847 110.598 108.800 -0.081 0.000 2.479 135 G HA2 0.089 4.049 3.960 0.000 0.000 0.275 135 G HA3 0.089 4.049 3.960 0.000 0.000 0.275 135 G C 1.234 176.091 174.900 -0.071 0.000 1.421 135 G CA -0.609 44.456 45.100 -0.058 0.000 1.059 135 G HN 0.434 nan 8.290 nan 0.000 0.535 136 I N -0.210 120.333 120.570 -0.045 0.000 2.163 136 I HA -0.137 4.033 4.170 0.000 0.000 0.240 136 I C 2.654 178.742 176.117 -0.048 0.000 1.081 136 I CA 0.701 61.980 61.300 -0.036 0.000 1.353 136 I CB -0.186 37.806 38.000 -0.014 0.000 1.054 136 I HN 0.239 nan 8.210 nan 0.000 0.407 137 I N 1.191 121.735 120.570 -0.043 0.000 2.163 137 I HA -0.165 4.005 4.170 0.000 0.000 0.243 137 I C -0.314 175.755 176.117 -0.080 0.000 1.085 137 I CA 1.764 63.051 61.300 -0.022 0.000 1.347 137 I CB -2.726 35.291 38.000 0.030 0.000 1.044 137 I HN 0.191 nan 8.210 nan 0.000 0.408 138 P HA -0.034 nan 4.420 nan 0.000 0.239 138 P C 0.068 177.131 177.300 -0.395 0.000 1.184 138 P CA 0.774 63.424 63.100 -0.750 0.000 0.760 138 P CB 0.038 31.002 31.700 -1.228 0.000 0.884 139 R N -0.598 119.801 120.500 -0.169 0.000 2.923 139 R HA 0.757 5.097 4.340 0.000 0.000 0.252 139 R C -0.771 175.515 176.300 -0.023 0.000 1.130 139 R CA -1.103 54.944 56.100 -0.088 0.000 1.043 139 R CB 1.152 31.408 30.300 -0.074 0.000 1.205 139 R HN -0.155 nan 8.270 nan 0.000 0.495 140 I N -0.511 120.056 120.570 -0.006 0.000 2.686 140 I HA 0.239 4.409 4.170 0.000 0.000 0.295 140 I C -0.674 175.442 176.117 -0.002 0.000 1.114 140 I CA -0.243 61.061 61.300 0.008 0.000 1.038 140 I CB 2.545 40.560 38.000 0.026 0.000 1.238 140 I HN 0.598 nan 8.210 nan 0.000 0.420 141 S N 3.988 119.687 115.700 -0.002 0.000 2.571 141 S HA 0.107 4.577 4.470 0.000 0.000 0.298 141 S C -0.131 174.461 174.600 -0.013 0.000 1.280 141 S CA -0.391 57.805 58.200 -0.007 0.000 1.052 141 S CB 0.111 63.308 63.200 -0.005 0.000 0.799 141 S HN 0.462 nan 8.310 nan 0.000 0.501 142 V N 4.910 124.812 119.914 -0.020 0.000 2.493 142 V HA 0.065 4.186 4.120 0.000 0.000 0.292 142 V C 1.110 177.183 176.094 -0.034 0.000 1.016 142 V CA 0.811 63.091 62.300 -0.033 0.000 1.097 142 V CB 0.350 32.152 31.823 -0.035 0.000 0.947 142 V HN 0.839 nan 8.190 nan 0.000 0.479 143 R N 1.802 122.276 120.500 -0.044 0.000 2.576 143 R HA 0.209 4.549 4.340 0.000 0.000 0.237 143 R C 0.036 176.301 176.300 -0.057 0.000 0.917 143 R CA -0.209 55.867 56.100 -0.040 0.000 1.002 143 R CB 0.631 30.915 30.300 -0.026 0.000 1.428 143 R HN 0.730 nan 8.270 nan 0.000 0.603 144 E N 3.185 123.334 120.200 -0.085 0.000 2.229 144 E HA 0.210 4.560 4.350 0.000 0.000 0.283 144 E C -2.457 174.064 176.600 -0.132 0.000 1.030 144 E CA -2.331 54.000 56.400 -0.114 0.000 0.836 144 E CB 0.684 30.286 29.700 -0.162 0.000 1.068 144 E HN -0.111 nan 8.360 nan 0.000 0.401 145 P HA -0.026 nan 4.420 nan 0.000 0.270 145 P C -0.532 176.666 177.300 -0.170 0.000 1.223 145 P CA -0.097 62.933 63.100 -0.116 0.000 0.785 145 P CB 0.444 32.089 31.700 -0.092 0.000 0.923 146 M N 2.070 121.588 119.600 -0.137 0.000 1.980 146 M HA 0.154 4.634 4.480 0.000 0.000 0.282 146 M C -1.075 175.177 176.300 -0.080 0.000 0.878 146 M CA -0.586 54.627 55.300 -0.145 0.000 0.900 146 M CB 0.631 33.159 32.600 -0.120 0.000 1.577 146 M HN 0.270 nan 8.290 nan 0.000 0.396 147 Q N 2.313 122.074 119.800 -0.066 0.000 2.296 147 Q HA 0.243 4.583 4.340 0.000 0.000 0.262 147 Q C 1.183 177.219 176.000 0.059 0.000 0.981 147 Q CA 0.152 55.971 55.803 0.025 0.000 0.905 147 Q CB 0.836 29.640 28.738 0.109 0.000 1.186 147 Q HN 0.787 nan 8.270 nan 0.000 0.399 148 T N -1.154 113.423 114.554 0.037 0.000 2.894 148 T HA 0.134 4.484 4.350 0.000 0.000 0.258 148 T C 1.229 175.953 174.700 0.041 0.000 1.043 148 T CA 0.814 62.934 62.100 0.034 0.000 1.141 148 T CB 0.075 68.952 68.868 0.015 0.000 0.873 148 T HN 0.821 nan 8.240 nan 0.000 0.449 149 G N 1.304 110.126 108.800 0.037 0.000 2.192 149 G HA2 -0.105 3.855 3.960 0.000 0.000 0.193 149 G HA3 -0.105 3.855 3.960 0.000 0.000 0.193 149 G C -0.008 174.898 174.900 0.009 0.000 0.999 149 G CA -0.166 44.949 45.100 0.025 0.000 0.659 149 G HN 0.647 nan 8.290 nan 0.000 0.503 150 I N 1.737 122.311 120.570 0.007 0.000 2.328 150 I HA 0.277 4.447 4.170 0.000 0.000 0.287 150 I C 1.536 177.656 176.117 0.005 0.000 1.012 150 I CA -0.878 60.421 61.300 -0.002 0.000 1.195 150 I CB 1.328 39.322 38.000 -0.009 0.000 1.350 150 I HN 0.001 nan 8.210 nan 0.000 0.464 151 K N 4.546 124.949 120.400 0.005 0.000 2.000 151 K HA -0.267 4.053 4.320 0.000 0.000 0.218 151 K C 2.158 178.765 176.600 0.011 0.000 1.053 151 K CA 1.963 58.257 56.287 0.011 0.000 0.946 151 K CB -0.385 32.123 32.500 0.013 0.000 0.723 151 K HN 0.779 nan 8.250 nan 0.000 0.446 152 A N 1.182 124.006 122.820 0.007 0.000 1.915 152 A HA -0.225 4.095 4.320 0.000 0.000 0.220 152 A C 2.491 180.083 177.584 0.013 0.000 1.198 152 A CA 2.293 54.336 52.037 0.010 0.000 0.647 152 A CB -0.975 18.028 19.000 0.005 0.000 0.825 152 A HN 0.149 nan 8.150 nan 0.000 0.456 153 V N 0.087 120.007 119.914 0.010 0.000 2.256 153 V HA -0.156 3.964 4.120 0.000 0.000 0.240 153 V C 2.066 178.167 176.094 0.011 0.000 1.036 153 V CA 2.064 64.371 62.300 0.012 0.000 1.008 153 V CB -0.793 31.036 31.823 0.009 0.000 0.648 153 V HN 0.506 nan 8.190 nan 0.000 0.453 154 D N 0.446 120.852 120.400 0.011 0.000 2.311 154 D HA -0.113 4.527 4.640 0.000 0.000 0.212 154 D C 2.262 178.569 176.300 0.012 0.000 0.972 154 D CA 1.675 55.681 54.000 0.010 0.000 0.887 154 D CB -0.048 40.762 40.800 0.015 0.000 0.915 154 D HN 0.622 nan 8.370 nan 0.000 0.497 155 S N -0.951 114.757 115.700 0.014 0.000 2.460 155 S HA 0.103 4.573 4.470 0.000 0.000 0.226 155 S C 2.003 176.611 174.600 0.014 0.000 1.057 155 S CA -0.089 58.120 58.200 0.015 0.000 0.948 155 S CB -0.103 63.107 63.200 0.017 0.000 0.822 155 S HN 0.158 nan 8.310 nan 0.000 0.512 156 L N 1.461 122.694 121.223 0.016 0.000 2.316 156 L HA 0.338 4.678 4.340 0.000 0.000 0.207 156 L C 0.356 177.237 176.870 0.019 0.000 1.070 156 L CA 0.165 55.017 54.840 0.019 0.000 0.820 156 L CB 0.324 42.398 42.059 0.025 0.000 0.992 156 L HN 0.333 nan 8.230 nan 0.000 0.466 157 V N -2.526 117.398 119.914 0.018 0.000 2.384 157 V HA 0.427 4.547 4.120 0.000 0.000 0.257 157 V C -2.695 173.405 176.094 0.009 0.000 0.969 157 V CA -2.054 60.256 62.300 0.017 0.000 0.910 157 V CB -0.179 31.659 31.823 0.025 0.000 1.150 157 V HN -0.102 nan 8.190 nan 0.000 0.481 158 P HA 0.245 nan 4.420 nan 0.000 0.265 158 P C -0.369 176.924 177.300 -0.011 0.000 1.187 158 P CA 0.663 63.761 63.100 -0.004 0.000 0.766 158 P CB 0.938 32.635 31.700 -0.006 0.000 0.820 159 I N 1.853 122.411 120.570 -0.020 0.000 2.436 159 I HA 0.481 4.651 4.170 0.000 0.000 0.289 159 I C 0.979 177.066 176.117 -0.049 0.000 1.010 159 I CA -0.454 60.828 61.300 -0.029 0.000 1.098 159 I CB 2.106 40.090 38.000 -0.028 0.000 1.266 159 I HN 0.295 nan 8.210 nan 0.000 0.434 160 G N 4.749 113.516 108.800 -0.055 0.000 2.491 160 G HA2 0.597 4.557 3.960 0.000 0.000 0.327 160 G HA3 0.597 4.557 3.960 0.000 0.000 0.327 160 G C -0.559 174.284 174.900 -0.096 0.000 1.189 160 G CA -0.837 44.217 45.100 -0.076 0.000 0.956 160 G HN 0.513 nan 8.290 nan 0.000 0.491 161 R N -0.503 119.916 120.500 -0.136 0.000 2.340 161 R HA 0.459 4.799 4.340 0.000 0.000 0.300 161 R C 1.039 177.272 176.300 -0.110 0.000 1.069 161 R CA 0.846 56.847 56.100 -0.164 0.000 0.984 161 R CB 1.110 31.226 30.300 -0.306 0.000 1.003 161 R HN 1.057 nan 8.270 nan 0.000 0.459 162 G N 1.471 110.225 108.800 -0.076 0.000 2.195 162 G HA2 -0.285 3.675 3.960 0.000 0.000 0.224 162 G HA3 -0.285 3.675 3.960 0.000 0.000 0.224 162 G C 0.132 175.014 174.900 -0.030 0.000 0.990 162 G CA -0.245 44.831 45.100 -0.040 0.000 0.639 162 G HN 0.562 nan 8.290 nan 0.000 0.514 163 Q N 0.151 119.928 119.800 -0.038 0.000 2.259 163 Q HA 0.659 4.999 4.340 0.000 0.000 0.246 163 Q C -0.013 175.975 176.000 -0.020 0.000 0.920 163 Q CA -0.588 55.199 55.803 -0.027 0.000 0.895 163 Q CB 0.491 29.210 28.738 -0.031 0.000 1.220 163 Q HN 0.381 nan 8.270 nan 0.000 0.439 164 R N 2.202 122.697 120.500 -0.008 0.000 2.310 164 R HA 0.263 4.603 4.340 0.000 0.000 0.324 164 R C -1.286 175.014 176.300 -0.000 0.000 0.955 164 R CA -0.431 55.669 56.100 -0.000 0.000 0.830 164 R CB 1.426 31.732 30.300 0.011 0.000 1.154 164 R HN 0.465 nan 8.270 nan 0.000 0.458 165 E N 3.200 123.398 120.200 -0.003 0.000 2.199 165 E HA 0.286 4.636 4.350 0.000 0.000 0.265 165 E C -1.537 175.067 176.600 0.007 0.000 0.882 165 E CA -0.898 55.504 56.400 0.003 0.000 0.759 165 E CB 1.188 30.888 29.700 -0.000 0.000 1.148 165 E HN 0.352 nan 8.360 nan 0.000 0.412 166 L N 5.354 126.586 121.223 0.014 0.000 2.326 166 L HA 0.508 4.848 4.340 0.000 0.000 0.278 166 L C -0.972 175.918 176.870 0.033 0.000 1.092 166 L CA -0.117 54.733 54.840 0.017 0.000 0.810 166 L CB 0.763 42.830 42.059 0.014 0.000 1.153 166 L HN 0.672 nan 8.230 nan 0.000 0.439 167 I N 6.798 127.386 120.570 0.031 0.000 2.307 167 I HA 0.394 4.565 4.170 0.000 0.000 0.289 167 I C -0.369 175.785 176.117 0.063 0.000 1.021 167 I CA -0.149 61.178 61.300 0.045 0.000 1.224 167 I CB 1.149 39.168 38.000 0.031 0.000 1.376 167 I HN 0.549 nan 8.210 nan 0.000 0.470 168 I N 5.352 125.989 120.570 0.111 0.000 2.647 168 I HA 0.902 5.072 4.170 0.000 0.000 0.295 168 I C -0.365 175.878 176.117 0.210 0.000 1.078 168 I CA -0.074 61.314 61.300 0.148 0.000 1.048 168 I CB 2.128 40.224 38.000 0.160 0.000 1.239 168 I HN 0.684 nan 8.210 nan 0.000 0.421 169 G N 5.184 114.080 108.800 0.161 0.000 2.328 169 G HA2 0.157 4.117 3.960 0.000 0.000 0.295 169 G HA3 0.157 4.117 3.960 0.000 0.000 0.295 169 G C -1.878 173.057 174.900 0.058 0.000 1.413 169 G CA -0.754 44.402 45.100 0.094 0.000 0.817 169 G HN 0.530 nan 8.290 nan 0.000 0.546 170 D N 0.053 120.464 120.400 0.018 0.000 2.393 170 D HA 0.269 4.909 4.640 0.000 0.000 0.246 170 D C 1.054 177.341 176.300 -0.021 0.000 1.275 170 D CA -0.050 53.959 54.000 0.016 0.000 0.979 170 D CB 0.551 41.358 40.800 0.011 0.000 1.101 170 D HN 0.673 nan 8.370 nan 0.000 0.505 171 R N 0.168 120.661 120.500 -0.012 0.000 2.640 171 R HA -0.026 4.314 4.340 0.000 0.000 0.270 171 R C 0.003 176.253 176.300 -0.084 0.000 1.024 171 R CA -0.167 55.917 56.100 -0.026 0.000 1.085 171 R CB 0.169 30.466 30.300 -0.005 0.000 0.963 171 R HN 0.230 nan 8.270 nan 0.000 0.426 172 Q N -0.266 119.475 119.800 -0.098 0.000 2.480 172 Q HA -0.166 4.174 4.340 0.000 0.000 0.265 172 Q C 0.372 176.144 176.000 -0.379 0.000 1.072 172 Q CA 1.876 57.567 55.803 -0.188 0.000 1.018 172 Q CB -2.008 26.626 28.738 -0.174 0.000 1.433 172 Q HN 1.008 nan 8.270 nan 0.000 0.513 173 T N -4.725 109.652 114.554 -0.295 0.000 3.086 173 T HA 0.421 4.772 4.350 0.000 0.000 0.250 173 T C 1.250 175.843 174.700 -0.178 0.000 1.074 173 T CA 0.807 62.670 62.100 -0.395 0.000 0.988 173 T CB 0.897 69.626 68.868 -0.232 0.000 0.988 173 T HN 0.787 nan 8.240 nan 0.000 0.530 174 G N 1.655 110.398 108.800 -0.095 0.000 2.143 174 G HA2 -0.235 3.725 3.960 0.000 0.000 0.175 174 G HA3 -0.235 3.725 3.960 0.000 0.000 0.175 174 G C 0.715 175.621 174.900 0.011 0.000 1.004 174 G CA 0.128 45.243 45.100 0.025 0.000 0.671 174 G HN 0.501 nan 8.290 nan 0.000 0.512 175 K N -0.122 120.277 120.400 -0.002 0.000 2.009 175 K HA -0.076 4.244 4.320 0.000 0.000 0.210 175 K C 2.559 179.177 176.600 0.031 0.000 1.049 175 K CA 2.008 58.304 56.287 0.015 0.000 0.929 175 K CB -0.386 32.126 32.500 0.019 0.000 0.714 175 K HN 0.305 nan 8.250 nan 0.000 0.440 176 T N 0.918 115.498 114.554 0.043 0.000 2.788 176 T HA -0.123 4.227 4.350 0.000 0.000 0.268 176 T C 2.048 176.770 174.700 0.037 0.000 1.044 176 T CA 1.553 63.697 62.100 0.073 0.000 1.139 176 T CB -0.240 68.680 68.868 0.087 0.000 0.867 176 T HN 0.179 nan 8.240 nan 0.000 0.454 177 S N 1.518 117.220 115.700 0.003 0.000 2.365 177 S HA -0.108 4.362 4.470 0.000 0.000 0.225 177 S C 2.046 176.617 174.600 -0.048 0.000 1.039 177 S CA 0.974 59.141 58.200 -0.054 0.000 1.033 177 S CB -0.470 62.679 63.200 -0.086 0.000 0.887 177 S HN 0.344 nan 8.310 nan 0.000 0.447 178 I N 2.190 122.747 120.570 -0.020 0.000 2.145 178 I HA -0.277 3.894 4.170 0.000 0.000 0.244 178 I C 2.742 178.862 176.117 0.004 0.000 1.075 178 I CA 1.707 63.000 61.300 -0.012 0.000 1.332 178 I CB -1.825 36.176 38.000 0.003 0.000 1.033 178 I HN 0.284 nan 8.210 nan 0.000 0.410 179 A N 0.999 123.836 122.820 0.028 0.000 1.902 179 A HA -0.162 4.158 4.320 0.000 0.000 0.217 179 A C 2.237 179.846 177.584 0.042 0.000 1.181 179 A CA 1.312 53.383 52.037 0.056 0.000 0.623 179 A CB -0.515 18.560 19.000 0.124 0.000 0.818 179 A HN 0.279 nan 8.150 nan 0.000 0.443 180 I N 0.514 121.091 120.570 0.012 0.000 2.113 180 I HA -0.202 3.968 4.170 0.000 0.000 0.238 180 I C 1.960 178.086 176.117 0.016 0.000 1.070 180 I CA 1.735 63.031 61.300 -0.005 0.000 1.332 180 I CB -1.808 36.192 38.000 0.001 0.000 1.044 180 I HN 0.254 nan 8.210 nan 0.000 0.402 181 D N 0.639 121.030 120.400 -0.016 0.000 2.172 181 D HA -0.184 4.456 4.640 0.000 0.000 0.196 181 D C 2.194 178.510 176.300 0.027 0.000 0.999 181 D CA 1.799 55.794 54.000 -0.008 0.000 0.856 181 D CB -0.199 40.567 40.800 -0.057 0.000 0.934 181 D HN 0.268 nan 8.370 nan 0.000 0.453 182 T N 0.165 114.737 114.554 0.030 0.000 2.708 182 T HA -0.069 4.281 4.350 0.000 0.000 0.266 182 T C 2.109 176.858 174.700 0.082 0.000 1.037 182 T CA 0.617 62.746 62.100 0.048 0.000 1.146 182 T CB -0.185 68.704 68.868 0.035 0.000 0.865 182 T HN 0.178 nan 8.240 nan 0.000 0.435 183 I N 0.396 121.017 120.570 0.084 0.000 2.226 183 I HA -0.138 4.032 4.170 0.000 0.000 0.245 183 I C 2.266 178.504 176.117 0.201 0.000 1.100 183 I CA 1.391 62.771 61.300 0.134 0.000 1.374 183 I CB -0.402 37.635 38.000 0.062 0.000 1.057 183 I HN 0.225 nan 8.210 nan 0.000 0.413 184 I N 0.926 121.572 120.570 0.126 0.000 2.315 184 I HA -0.295 3.876 4.170 0.000 0.000 0.248 184 I C 2.233 178.416 176.117 0.110 0.000 1.117 184 I CA 1.364 62.743 61.300 0.131 0.000 1.404 184 I CB -0.340 37.718 38.000 0.097 0.000 1.071 184 I HN 0.285 nan 8.210 nan 0.000 0.419 185 N N 0.474 119.221 118.700 0.079 0.000 2.364 185 N HA -0.209 4.531 4.740 0.000 0.000 0.183 185 N C 1.673 177.183 175.510 0.000 0.000 1.022 185 N CA 0.973 54.042 53.050 0.031 0.000 0.883 185 N CB 0.108 38.630 38.487 0.059 0.000 0.965 185 N HN 0.191 nan 8.380 nan 0.000 0.438 186 Q N 0.215 120.062 119.800 0.077 0.000 2.488 186 Q HA -0.047 4.293 4.340 0.000 0.000 0.211 186 Q C 1.491 177.333 176.000 -0.264 0.000 0.967 186 Q CA 0.459 56.286 55.803 0.040 0.000 0.926 186 Q CB -0.088 28.653 28.738 0.005 0.000 0.992 186 Q HN 0.514 nan 8.270 nan 0.000 0.506 187 K N 1.106 121.377 120.400 -0.216 0.000 2.057 187 K HA -0.117 4.203 4.320 0.000 0.000 0.207 187 K C 1.847 178.251 176.600 -0.327 0.000 1.049 187 K CA 0.767 56.907 56.287 -0.244 0.000 0.931 187 K CB 0.141 32.621 32.500 -0.032 0.000 0.714 187 K HN 0.095 nan 8.250 nan 0.000 0.440 188 R N -0.358 119.862 120.500 -0.468 0.000 2.191 188 R HA -0.229 4.111 4.340 0.000 0.000 0.248 188 R C 2.248 178.183 176.300 -0.610 0.000 1.127 188 R CA 2.573 58.278 56.100 -0.658 0.000 0.943 188 R CB -0.719 28.825 30.300 -1.261 0.000 0.891 188 R HN 0.260 nan 8.270 nan 0.000 0.439 189 F N 0.041 119.902 119.950 -0.150 0.000 2.335 189 F HA 0.053 4.580 4.527 0.000 0.000 0.296 189 F C 2.064 177.751 175.800 -0.189 0.000 1.091 189 F CA 0.297 58.207 58.000 -0.149 0.000 1.399 189 F CB -0.495 38.417 39.000 -0.147 0.000 1.067 189 F HN -0.065 nan 8.300 nan 0.000 0.520 190 N N 0.369 118.980 118.700 -0.148 0.000 2.309 190 N HA -0.134 4.606 4.740 0.000 0.000 0.182 190 N C 1.064 176.497 175.510 -0.129 0.000 1.018 190 N CA 1.221 54.129 53.050 -0.236 0.000 0.876 190 N CB -0.427 37.721 38.487 -0.564 0.000 0.972 190 N HN 0.228 nan 8.380 nan 0.000 0.434 191 D N -0.107 120.218 120.400 -0.124 0.000 2.347 191 D HA 0.076 4.716 4.640 0.000 0.000 0.213 191 D C 1.151 177.423 176.300 -0.047 0.000 0.985 191 D CA 0.195 54.156 54.000 -0.065 0.000 0.879 191 D CB -0.137 40.623 40.800 -0.066 0.000 0.919 191 D HN 0.142 nan 8.370 nan 0.000 0.526 192 G N -0.651 108.118 108.800 -0.050 0.000 2.588 192 G HA2 0.202 4.162 3.960 0.000 0.000 0.278 192 G HA3 0.202 4.162 3.960 0.000 0.000 0.278 192 G C 1.045 175.944 174.900 -0.002 0.000 1.307 192 G CA -0.038 45.049 45.100 -0.022 0.000 1.016 192 G HN 0.008 nan 8.290 nan 0.000 0.503 193 T N -0.314 114.244 114.554 0.007 0.000 2.781 193 T HA 0.001 4.351 4.350 0.000 0.000 0.252 193 T C 0.955 175.666 174.700 0.018 0.000 1.039 193 T CA 0.695 62.802 62.100 0.012 0.000 1.147 193 T CB -0.265 68.608 68.868 0.009 0.000 0.865 193 T HN 0.489 nan 8.240 nan 0.000 0.423 194 D N 1.664 122.077 120.400 0.022 0.000 2.581 194 D HA -0.030 4.610 4.640 0.000 0.000 0.238 194 D C 0.653 176.964 176.300 0.018 0.000 1.145 194 D CA 0.333 54.346 54.000 0.022 0.000 0.866 194 D CB 0.937 41.754 40.800 0.029 0.000 1.151 194 D HN 0.192 nan 8.370 nan 0.000 0.500 195 E N 2.345 122.553 120.200 0.014 0.000 2.385 195 E HA -0.009 4.341 4.350 0.000 0.000 0.194 195 E C 1.441 178.032 176.600 -0.014 0.000 1.013 195 E CA 0.516 56.924 56.400 0.012 0.000 0.866 195 E CB 0.307 30.026 29.700 0.031 0.000 0.832 195 E HN 0.437 nan 8.360 nan 0.000 0.500 196 K N 0.047 120.443 120.400 -0.007 0.000 2.228 196 K HA 0.030 4.351 4.320 0.000 0.000 0.202 196 K C 1.583 178.236 176.600 0.089 0.000 1.051 196 K CA 0.663 56.955 56.287 0.008 0.000 0.960 196 K CB 0.182 32.705 32.500 0.038 0.000 0.743 196 K HN -0.068 nan 8.250 nan 0.000 0.458 197 K N 1.132 121.540 120.400 0.013 0.000 2.400 197 K HA 0.040 4.360 4.320 0.000 0.000 0.194 197 K C 0.094 176.626 176.600 -0.114 0.000 1.033 197 K CA 0.283 56.523 56.287 -0.078 0.000 1.021 197 K CB 0.295 32.753 32.500 -0.069 0.000 0.808 197 K HN 0.074 nan 8.250 nan 0.000 0.505 198 K N 1.231 121.590 120.400 -0.068 0.000 2.355 198 K HA 0.108 4.428 4.320 0.000 0.000 0.270 198 K C -0.596 175.845 176.600 -0.266 0.000 1.003 198 K CA -0.169 56.001 56.287 -0.194 0.000 0.957 198 K CB 0.588 32.919 32.500 -0.281 0.000 0.939 198 K HN -0.163 nan 8.250 nan 0.000 0.482 199 L N 3.821 124.810 121.223 -0.391 0.000 2.446 199 L HA 0.288 4.628 4.340 0.000 0.000 0.268 199 L C -1.636 174.997 176.870 -0.395 0.000 0.975 199 L CA -0.476 54.178 54.840 -0.309 0.000 0.848 199 L CB 0.726 42.687 42.059 -0.165 0.000 1.225 199 L HN 0.429 nan 8.230 nan 0.000 0.410 200 Y N 3.144 123.364 120.300 -0.134 0.000 2.319 200 Y HA 0.443 4.993 4.550 0.000 0.000 0.328 200 Y C 0.651 176.445 175.900 -0.177 0.000 1.133 200 Y CA -0.044 57.928 58.100 -0.213 0.000 1.265 200 Y CB 0.853 38.874 38.460 -0.731 0.000 1.218 200 Y HN 0.502 nan 8.280 nan 0.000 0.508 201 C N 4.455 123.815 119.300 0.099 0.000 2.454 201 C HA 0.737 5.197 4.460 0.000 0.000 0.336 201 C C -0.039 174.961 174.990 0.015 0.000 1.189 201 C CA -1.114 57.932 59.018 0.048 0.000 1.877 201 C CB 0.475 28.285 27.740 0.116 0.000 2.348 201 C HN 0.656 nan 8.230 nan 0.000 0.508 202 I N 1.575 122.145 120.570 -0.001 0.000 2.533 202 I HA 0.318 4.488 4.170 0.000 0.000 0.290 202 I C -1.288 174.841 176.117 0.021 0.000 1.056 202 I CA -0.504 60.801 61.300 0.009 0.000 1.057 202 I CB 1.528 39.520 38.000 -0.013 0.000 1.240 202 I HN 0.631 nan 8.210 nan 0.000 0.423 203 Y N 6.606 126.868 120.300 -0.064 0.000 2.376 203 Y HA 0.572 5.122 4.550 0.000 0.000 0.326 203 Y C -1.098 174.780 175.900 -0.037 0.000 0.970 203 Y CA -0.743 57.319 58.100 -0.063 0.000 1.248 203 Y CB 1.311 39.743 38.460 -0.046 0.000 1.117 203 Y HN 0.250 nan 8.280 nan 0.000 0.476 204 V N 6.397 126.027 119.914 -0.473 0.000 2.348 204 V HA 0.622 4.742 4.120 0.000 0.000 0.270 204 V C 0.262 176.109 176.094 -0.413 0.000 1.037 204 V CA -0.559 61.567 62.300 -0.290 0.000 0.872 204 V CB 0.625 32.379 31.823 -0.115 0.000 1.002 204 V HN 0.907 nan 8.190 nan 0.000 0.464 205 A N 7.108 129.808 122.820 -0.201 0.000 2.328 205 A HA 0.839 5.159 4.320 0.000 0.000 0.284 205 A C -0.422 177.141 177.584 -0.035 0.000 1.160 205 A CA -0.299 51.686 52.037 -0.087 0.000 0.818 205 A CB 0.165 19.225 19.000 0.101 0.000 1.087 205 A HN 0.806 nan 8.150 nan 0.000 0.504 206 I N 1.850 122.408 120.570 -0.021 0.000 2.478 206 I HA 0.528 4.698 4.170 0.000 0.000 0.287 206 I C 1.081 177.221 176.117 0.039 0.000 1.042 206 I CA 0.017 61.325 61.300 0.012 0.000 1.067 206 I CB 1.840 39.839 38.000 -0.000 0.000 1.233 206 I HN 0.987 nan 8.210 nan 0.000 0.431 207 G N 3.907 112.740 108.800 0.055 0.000 2.212 207 G HA2 -0.326 3.634 3.960 0.000 0.000 0.266 207 G HA3 -0.326 3.634 3.960 0.000 0.000 0.266 207 G C 0.370 175.304 174.900 0.056 0.000 0.978 207 G CA 0.596 45.733 45.100 0.062 0.000 0.632 207 G HN 0.648 nan 8.290 nan 0.000 0.537 208 Q N 0.251 120.084 119.800 0.056 0.000 2.841 208 Q HA 0.516 4.856 4.340 0.000 0.000 0.198 208 Q C 0.597 176.631 176.000 0.057 0.000 1.135 208 Q CA 0.318 56.158 55.803 0.061 0.000 1.167 208 Q CB 0.259 29.043 28.738 0.077 0.000 1.288 208 Q HN 0.363 nan 8.270 nan 0.000 0.670 209 K N 0.412 120.845 120.400 0.055 0.000 2.206 209 K HA 0.203 4.523 4.320 0.000 0.000 0.264 209 K C 0.597 177.224 176.600 0.046 0.000 0.967 209 K CA -0.364 55.951 56.287 0.046 0.000 0.844 209 K CB 0.796 33.320 32.500 0.041 0.000 1.099 209 K HN 0.555 nan 8.250 nan 0.000 0.441 210 R N 0.583 121.108 120.500 0.041 0.000 2.119 210 R HA -0.177 4.164 4.340 0.000 0.000 0.246 210 R C 1.874 178.193 176.300 0.031 0.000 1.146 210 R CA 2.451 58.573 56.100 0.037 0.000 0.962 210 R CB -0.134 30.185 30.300 0.031 0.000 0.863 210 R HN 0.741 nan 8.270 nan 0.000 0.442 211 S N -0.693 115.023 115.700 0.028 0.000 2.402 211 S HA -0.095 4.375 4.470 0.000 0.000 0.229 211 S C 1.893 176.506 174.600 0.023 0.000 1.021 211 S CA 1.567 59.780 58.200 0.022 0.000 0.974 211 S CB -0.290 62.921 63.200 0.019 0.000 0.800 211 S HN 0.228 nan 8.310 nan 0.000 0.484 212 T N 2.390 116.963 114.554 0.031 0.000 2.777 212 T HA 0.012 4.362 4.350 0.000 0.000 0.266 212 T C 1.944 176.663 174.700 0.032 0.000 1.040 212 T CA 1.299 63.420 62.100 0.035 0.000 1.141 212 T CB -0.489 68.409 68.868 0.049 0.000 0.868 212 T HN 0.274 nan 8.240 nan 0.000 0.444 213 V N 1.866 121.808 119.914 0.047 0.000 2.261 213 V HA -0.159 3.961 4.120 0.000 0.000 0.246 213 V C 2.931 179.032 176.094 0.012 0.000 1.047 213 V CA 1.714 64.044 62.300 0.050 0.000 1.015 213 V CB -1.291 30.580 31.823 0.080 0.000 0.642 213 V HN 0.514 nan 8.190 nan 0.000 0.446 214 A N -0.637 122.191 122.820 0.013 0.000 1.948 214 A HA -0.289 4.031 4.320 0.000 0.000 0.220 214 A C 2.180 179.755 177.584 -0.015 0.000 1.177 214 A CA 1.896 53.933 52.037 -0.001 0.000 0.636 214 A CB -0.468 18.535 19.000 0.004 0.000 0.815 214 A HN 0.579 nan 8.150 nan 0.000 0.449 215 Q N -0.705 119.089 119.800 -0.011 0.000 2.079 215 Q HA -0.092 4.248 4.340 0.000 0.000 0.200 215 Q C 2.191 178.167 176.000 -0.039 0.000 0.974 215 Q CA 0.981 56.773 55.803 -0.018 0.000 0.840 215 Q CB -0.666 28.070 28.738 -0.004 0.000 0.898 215 Q HN 0.637 nan 8.270 nan 0.000 0.430 216 L N 1.039 122.231 121.223 -0.051 0.000 2.017 216 L HA -0.123 4.217 4.340 0.000 0.000 0.208 216 L C 2.351 179.144 176.870 -0.129 0.000 1.073 216 L CA 1.834 56.609 54.840 -0.110 0.000 0.745 216 L CB -0.795 41.165 42.059 -0.166 0.000 0.894 216 L HN 0.197 nan 8.230 nan 0.000 0.432 217 V N -1.294 118.563 119.914 -0.096 0.000 2.809 217 V HA -0.207 3.913 4.120 0.000 0.000 0.256 217 V C 2.518 178.566 176.094 -0.077 0.000 1.080 217 V CA 1.734 63.981 62.300 -0.090 0.000 1.102 217 V CB -0.509 31.280 31.823 -0.058 0.000 0.705 217 V HN 0.473 nan 8.190 nan 0.000 0.475 218 K N 0.479 120.839 120.400 -0.065 0.000 1.973 218 K HA -0.208 4.112 4.320 0.000 0.000 0.210 218 K C 2.508 179.061 176.600 -0.078 0.000 1.045 218 K CA 1.720 57.971 56.287 -0.061 0.000 0.937 218 K CB -0.357 32.113 32.500 -0.050 0.000 0.721 218 K HN 0.452 nan 8.250 nan 0.000 0.438 219 R N 0.753 121.201 120.500 -0.087 0.000 2.113 219 R HA -0.159 4.181 4.340 0.000 0.000 0.244 219 R C 2.420 178.662 176.300 -0.097 0.000 1.142 219 R CA 1.773 57.810 56.100 -0.105 0.000 0.953 219 R CB -0.347 29.897 30.300 -0.093 0.000 0.860 219 R HN 0.262 nan 8.270 nan 0.000 0.438 220 L N -0.593 120.568 121.223 -0.103 0.000 2.017 220 L HA -0.203 4.137 4.340 0.000 0.000 0.208 220 L C 2.387 179.190 176.870 -0.112 0.000 1.073 220 L CA 1.895 56.663 54.840 -0.119 0.000 0.745 220 L CB -0.715 41.250 42.059 -0.157 0.000 0.894 220 L HN 0.351 nan 8.230 nan 0.000 0.432 221 T N -1.066 113.431 114.554 -0.096 0.000 2.708 221 T HA -0.195 4.155 4.350 0.000 0.000 0.266 221 T C 1.416 176.077 174.700 -0.066 0.000 1.037 221 T CA 1.556 63.609 62.100 -0.078 0.000 1.146 221 T CB -0.314 68.517 68.868 -0.062 0.000 0.865 221 T HN 0.265 nan 8.240 nan 0.000 0.435 222 D N 1.184 121.541 120.400 -0.070 0.000 2.311 222 D HA 0.022 4.662 4.640 0.000 0.000 0.212 222 D C 1.784 178.047 176.300 -0.062 0.000 0.972 222 D CA 0.744 54.703 54.000 -0.068 0.000 0.887 222 D CB -0.204 40.544 40.800 -0.088 0.000 0.915 222 D HN 0.461 nan 8.370 nan 0.000 0.497 223 A N -0.153 122.631 122.820 -0.059 0.000 2.348 223 A HA 0.103 4.423 4.320 0.000 0.000 0.224 223 A C 0.460 178.037 177.584 -0.011 0.000 1.227 223 A CA 0.206 52.223 52.037 -0.033 0.000 0.885 223 A CB 0.329 19.316 19.000 -0.022 0.000 0.933 223 A HN 0.001 nan 8.150 nan 0.000 0.506 224 D N -2.326 118.057 120.400 -0.029 0.000 2.746 224 D HA -0.187 4.453 4.640 0.000 0.000 0.236 224 D C 0.662 176.960 176.300 -0.003 0.000 1.129 224 D CA 1.003 54.998 54.000 -0.008 0.000 0.691 224 D CB -1.280 39.534 40.800 0.023 0.000 1.077 224 D HN 0.527 nan 8.370 nan 0.000 0.432 225 A N -0.448 122.281 122.820 -0.152 0.000 2.259 225 A HA 0.165 4.486 4.320 0.000 0.000 0.213 225 A C 2.110 179.264 177.584 -0.716 0.000 1.209 225 A CA 0.266 51.986 52.037 -0.527 0.000 0.910 225 A CB 0.059 18.861 19.000 -0.329 0.000 0.946 225 A HN 0.274 nan 8.150 nan 0.000 0.497 226 M N 1.363 120.764 119.600 -0.332 0.000 2.149 226 M HA -0.191 4.289 4.480 0.000 0.000 0.261 226 M C 2.048 178.226 176.300 -0.203 0.000 1.064 226 M CA 2.039 57.195 55.300 -0.241 0.000 1.102 226 M CB -0.989 31.535 32.600 -0.126 0.000 1.369 226 M HN 0.685 nan 8.290 nan 0.000 0.408 227 K N 0.708 121.024 120.400 -0.139 0.000 2.089 227 K HA -0.215 4.105 4.320 0.000 0.000 0.210 227 K C 1.191 177.852 176.600 0.101 0.000 1.048 227 K CA 2.213 58.511 56.287 0.019 0.000 0.926 227 K CB -1.058 31.508 32.500 0.110 0.000 0.714 227 K HN 0.538 nan 8.250 nan 0.000 0.448 228 Y N 0.273 120.621 120.300 0.082 0.000 2.607 228 Y HA 0.455 5.005 4.550 0.000 0.000 0.266 228 Y C -0.425 175.535 175.900 0.101 0.000 1.178 228 Y CA -0.970 57.213 58.100 0.139 0.000 1.226 228 Y CB -0.048 38.470 38.460 0.096 0.000 1.144 228 Y HN -0.197 nan 8.280 nan 0.000 0.528 229 T N 2.163 116.654 114.554 -0.105 0.000 2.887 229 T HA 0.641 4.991 4.350 0.000 0.000 0.288 229 T C -0.504 174.195 174.700 -0.002 0.000 1.021 229 T CA -0.527 61.536 62.100 -0.061 0.000 1.000 229 T CB 2.096 70.868 68.868 -0.161 0.000 1.034 229 T HN 0.125 nan 8.240 nan 0.000 0.467 230 I N 1.532 122.122 120.570 0.034 0.000 2.530 230 I HA 0.598 4.769 4.170 0.000 0.000 0.297 230 I C -0.793 175.358 176.117 0.058 0.000 1.011 230 I CA -1.183 60.146 61.300 0.048 0.000 1.107 230 I CB 2.041 40.084 38.000 0.073 0.000 1.285 230 I HN 0.223 nan 8.210 nan 0.000 0.436 231 V N 6.265 126.214 119.914 0.058 0.000 2.409 231 V HA 0.292 4.412 4.120 0.000 0.000 0.290 231 V C -0.180 175.959 176.094 0.075 0.000 1.017 231 V CA -0.673 61.689 62.300 0.102 0.000 0.841 231 V CB 1.876 33.759 31.823 0.100 0.000 1.003 231 V HN 0.405 nan 8.190 nan 0.000 0.426 232 V N 3.924 123.873 119.914 0.059 0.000 2.406 232 V HA 0.426 4.546 4.120 0.000 0.000 0.272 232 V C 0.454 176.567 176.094 0.033 0.000 1.043 232 V CA 0.035 62.353 62.300 0.030 0.000 0.915 232 V CB 1.563 33.392 31.823 0.010 0.000 0.988 232 V HN 0.815 nan 8.190 nan 0.000 0.466 233 S N 3.668 119.390 115.700 0.037 0.000 2.449 233 S HA 0.771 5.241 4.470 0.000 0.000 0.310 233 S C -0.033 174.588 174.600 0.034 0.000 1.096 233 S CA -0.211 58.016 58.200 0.045 0.000 1.095 233 S CB 1.205 64.438 63.200 0.055 0.000 1.007 233 S HN 1.023 nan 8.310 nan 0.000 0.474 234 A N 3.981 126.822 122.820 0.034 0.000 3.082 234 A HA 0.538 4.858 4.320 0.000 0.000 0.328 234 A C 0.284 177.899 177.584 0.052 0.000 1.089 234 A CA -0.718 51.345 52.037 0.043 0.000 0.802 234 A CB -0.103 18.923 19.000 0.042 0.000 1.138 234 A HN 0.752 nan 8.150 nan 0.000 0.474 235 T N -1.452 113.134 114.554 0.053 0.000 2.816 235 T HA 0.547 4.897 4.350 0.000 0.000 0.282 235 T C 1.699 176.432 174.700 0.056 0.000 0.993 235 T CA 0.014 62.147 62.100 0.054 0.000 0.994 235 T CB 1.156 70.055 68.868 0.051 0.000 1.025 235 T HN 1.227 nan 8.240 nan 0.000 0.529 236 A N 1.324 124.176 122.820 0.053 0.000 1.969 236 A HA -0.213 4.107 4.320 0.000 0.000 0.223 236 A C 2.423 180.036 177.584 0.048 0.000 1.218 236 A CA 2.812 54.879 52.037 0.051 0.000 0.667 236 A CB -1.621 17.406 19.000 0.045 0.000 0.826 236 A HN 1.194 nan 8.150 nan 0.000 0.472 237 S N -1.009 114.718 115.700 0.045 0.000 2.548 237 S HA 0.091 4.561 4.470 0.000 0.000 0.215 237 S C 0.192 174.822 174.600 0.049 0.000 0.976 237 S CA -0.113 58.111 58.200 0.041 0.000 0.908 237 S CB -0.164 63.057 63.200 0.035 0.000 0.781 237 S HN 0.495 nan 8.310 nan 0.000 0.519 238 D N 2.888 123.323 120.400 0.059 0.000 2.399 238 D HA 0.423 5.063 4.640 0.000 0.000 0.241 238 D C 0.520 176.871 176.300 0.085 0.000 1.133 238 D CA 0.332 54.375 54.000 0.072 0.000 0.890 238 D CB 0.990 41.837 40.800 0.077 0.000 1.201 238 D HN 0.424 nan 8.370 nan 0.000 0.432 239 A N 1.559 124.438 122.820 0.097 0.000 2.555 239 A HA 0.244 4.564 4.320 0.000 0.000 0.233 239 A C 1.461 179.124 177.584 0.131 0.000 1.060 239 A CA 0.514 52.611 52.037 0.100 0.000 0.759 239 A CB 0.192 19.261 19.000 0.116 0.000 0.995 239 A HN 0.653 nan 8.150 nan 0.000 0.506 240 A N 2.917 125.802 122.820 0.109 0.000 1.903 240 A HA -0.105 4.215 4.320 0.000 0.000 0.219 240 A C -0.070 177.649 177.584 0.225 0.000 1.191 240 A CA 2.196 54.315 52.037 0.138 0.000 0.638 240 A CB -1.767 17.286 19.000 0.087 0.000 0.823 240 A HN 0.663 nan 8.150 nan 0.000 0.451 241 P HA -0.091 nan 4.420 nan 0.000 0.220 241 P C 1.390 179.021 177.300 0.552 0.000 1.148 241 P CA 0.804 64.147 63.100 0.405 0.000 0.803 241 P CB -0.157 31.666 31.700 0.206 0.000 0.782 242 L N -0.791 120.670 121.223 0.397 0.000 2.044 242 L HA -0.158 4.182 4.340 0.000 0.000 0.205 242 L C 2.756 179.742 176.870 0.193 0.000 1.075 242 L CA 1.495 56.492 54.840 0.262 0.000 0.747 242 L CB -1.166 41.000 42.059 0.177 0.000 0.903 242 L HN -0.057 nan 8.230 nan 0.000 0.435 243 Q N -0.879 119.037 119.800 0.193 0.000 2.135 243 Q HA -0.282 4.059 4.340 0.000 0.000 0.204 243 Q C 2.124 178.234 176.000 0.183 0.000 0.981 243 Q CA 2.180 58.076 55.803 0.156 0.000 0.856 243 Q CB -0.395 28.436 28.738 0.155 0.000 0.902 243 Q HN 0.507 nan 8.270 nan 0.000 0.425 244 Y N 1.043 121.442 120.300 0.166 0.000 2.114 244 Y HA -0.250 4.300 4.550 0.000 0.000 0.284 244 Y C 1.995 178.038 175.900 0.238 0.000 1.143 244 Y CA 1.367 59.589 58.100 0.203 0.000 1.135 244 Y CB -0.457 38.147 38.460 0.240 0.000 0.980 244 Y HN 0.062 nan 8.280 nan 0.000 0.499 245 L N 0.847 122.013 121.223 -0.095 0.000 2.056 245 L HA -0.052 4.288 4.340 0.000 0.000 0.207 245 L C 2.651 179.496 176.870 -0.042 0.000 1.078 245 L CA 1.945 56.721 54.840 -0.106 0.000 0.749 245 L CB -1.383 40.679 42.059 0.005 0.000 0.901 245 L HN 0.375 nan 8.230 nan 0.000 0.433 246 A N 0.291 123.090 122.820 -0.035 0.000 1.935 246 A HA -0.304 4.017 4.320 0.000 0.000 0.224 246 A C 0.007 177.535 177.584 -0.094 0.000 1.324 246 A CA 2.826 54.836 52.037 -0.046 0.000 0.686 246 A CB -2.462 16.528 19.000 -0.018 0.000 0.837 246 A HN 0.455 nan 8.150 nan 0.000 0.481 247 P HA -0.157 nan 4.420 nan 0.000 0.214 247 P C 1.107 178.179 177.300 -0.380 0.000 1.163 247 P CA 1.615 64.493 63.100 -0.369 0.000 0.883 247 P CB -0.337 30.917 31.700 -0.742 0.000 0.788 248 Y N -0.088 120.088 120.300 -0.207 0.000 2.165 248 Y HA -0.146 4.404 4.550 0.000 0.000 0.286 248 Y C 2.743 178.596 175.900 -0.078 0.000 1.155 248 Y CA 1.458 59.463 58.100 -0.158 0.000 1.164 248 Y CB -1.568 36.761 38.460 -0.218 0.000 0.978 248 Y HN -0.081 nan 8.280 nan 0.000 0.513 249 S N -0.035 115.694 115.700 0.049 0.000 2.351 249 S HA -0.218 4.253 4.470 0.000 0.000 0.220 249 S C 2.483 177.105 174.600 0.037 0.000 1.035 249 S CA 1.487 59.699 58.200 0.021 0.000 1.031 249 S CB -1.168 62.022 63.200 -0.018 0.000 0.928 249 S HN 0.666 nan 8.310 nan 0.000 0.433 250 G N -0.084 108.737 108.800 0.036 0.000 2.442 250 G HA2 -0.289 3.671 3.960 0.000 0.000 0.219 250 G HA3 -0.289 3.671 3.960 0.000 0.000 0.219 250 G C 1.731 176.688 174.900 0.096 0.000 1.141 250 G CA 1.154 46.289 45.100 0.059 0.000 0.763 250 G HN 0.591 nan 8.290 nan 0.000 0.554 251 C N 0.390 119.762 119.300 0.121 0.000 2.413 251 C HA -0.033 4.427 4.460 0.000 0.000 0.276 251 C C 3.281 178.344 174.990 0.123 0.000 1.236 251 C CA 1.725 60.827 59.018 0.140 0.000 1.735 251 C CB -0.973 26.828 27.740 0.102 0.000 2.031 251 C HN 0.376 nan 8.230 nan 0.000 0.474 252 S N 0.376 116.138 115.700 0.103 0.000 2.383 252 S HA -0.171 4.299 4.470 0.000 0.000 0.229 252 S C 1.691 176.364 174.600 0.122 0.000 1.030 252 S CA 2.008 60.267 58.200 0.098 0.000 1.002 252 S CB -0.348 62.893 63.200 0.069 0.000 0.829 252 S HN 0.665 nan 8.310 nan 0.000 0.467 253 M N 0.432 120.107 119.600 0.124 0.000 2.394 253 M HA 0.019 4.499 4.480 0.000 0.000 0.264 253 M C 2.287 178.782 176.300 0.325 0.000 1.073 253 M CA 1.141 56.537 55.300 0.159 0.000 1.111 253 M CB -0.464 32.212 32.600 0.126 0.000 1.401 253 M HN 0.407 nan 8.290 nan 0.000 0.448 254 G N 0.331 109.298 108.800 0.277 0.000 2.494 254 G HA2 -0.090 3.870 3.960 0.000 0.000 0.216 254 G HA3 -0.090 3.870 3.960 0.000 0.000 0.216 254 G C 1.261 176.369 174.900 0.347 0.000 1.140 254 G CA 0.115 45.425 45.100 0.349 0.000 0.801 254 G HN 0.488 nan 8.290 nan 0.000 0.536 255 E N -0.415 119.923 120.200 0.230 0.000 2.208 255 E HA -0.098 4.252 4.350 0.000 0.000 0.193 255 E C 1.852 178.532 176.600 0.134 0.000 0.988 255 E CA 0.427 56.923 56.400 0.161 0.000 0.828 255 E CB -0.234 29.530 29.700 0.107 0.000 0.763 255 E HN 0.580 nan 8.360 nan 0.000 0.478 256 Y N 1.028 121.340 120.300 0.020 0.000 2.081 256 Y HA -0.316 4.234 4.550 0.000 0.000 0.280 256 Y C 1.725 177.520 175.900 -0.175 0.000 1.163 256 Y CA 1.771 59.782 58.100 -0.149 0.000 1.135 256 Y CB -0.399 37.872 38.460 -0.315 0.000 0.970 256 Y HN -0.077 nan 8.280 nan 0.000 0.498 257 F N 0.271 120.244 119.950 0.039 0.000 2.146 257 F HA -0.118 4.409 4.527 0.000 0.000 0.298 257 F C 2.798 178.575 175.800 -0.038 0.000 1.096 257 F CA 1.796 59.778 58.000 -0.030 0.000 1.275 257 F CB -0.677 38.411 39.000 0.147 0.000 1.008 257 F HN -0.030 nan 8.300 nan 0.000 0.480 258 R N 0.640 121.266 120.500 0.210 0.000 2.081 258 R HA -0.155 4.185 4.340 0.000 0.000 0.235 258 R C 1.216 177.553 176.300 0.061 0.000 1.131 258 R CA 1.899 58.085 56.100 0.144 0.000 0.960 258 R CB -0.424 29.956 30.300 0.133 0.000 0.856 258 R HN 0.155 nan 8.270 nan 0.000 0.436 259 D N 0.093 120.492 120.400 -0.003 0.000 2.363 259 D HA -0.027 4.613 4.640 0.000 0.000 0.220 259 D C -0.002 176.250 176.300 -0.080 0.000 0.994 259 D CA 0.754 54.742 54.000 -0.020 0.000 0.890 259 D CB -0.030 40.751 40.800 -0.031 0.000 0.906 259 D HN 0.395 nan 8.370 nan 0.000 0.530 260 N N -0.504 118.099 118.700 -0.161 0.000 2.535 260 N HA 0.247 4.987 4.740 0.000 0.000 0.294 260 N C 0.727 176.171 175.510 -0.110 0.000 1.408 260 N CA -0.156 52.776 53.050 -0.195 0.000 0.927 260 N CB 1.274 39.510 38.487 -0.418 0.000 1.276 260 N HN -0.061 nan 8.380 nan 0.000 0.505 261 G N 0.893 109.664 108.800 -0.048 0.000 2.244 261 G HA2 -0.360 3.600 3.960 0.000 0.000 0.274 261 G HA3 -0.360 3.600 3.960 0.000 0.000 0.274 261 G C 0.236 175.059 174.900 -0.129 0.000 1.002 261 G CA 0.958 46.026 45.100 -0.054 0.000 0.740 261 G HN 0.335 nan 8.290 nan 0.000 0.516 262 K N -0.969 119.394 120.400 -0.063 0.000 2.210 262 K HA 0.701 5.021 4.320 0.000 0.000 0.236 262 K C -0.013 176.601 176.600 0.023 0.000 1.016 262 K CA -0.784 55.497 56.287 -0.011 0.000 0.913 262 K CB 0.903 33.574 32.500 0.286 0.000 1.141 262 K HN 0.456 nan 8.250 nan 0.000 0.462 263 H N -0.679 118.534 119.070 0.239 0.000 2.529 263 H HA 0.594 5.150 4.556 0.000 0.000 0.348 263 H C -1.147 174.242 175.328 0.102 0.000 1.079 263 H CA -1.103 55.012 56.048 0.113 0.000 1.198 263 H CB 1.964 31.719 29.762 -0.010 0.000 1.521 263 H HN 0.584 nan 8.280 nan 0.000 0.514 264 A N 2.782 125.710 122.820 0.180 0.000 2.413 264 A HA 0.616 4.936 4.320 0.000 0.000 0.307 264 A C -1.706 175.874 177.584 -0.006 0.000 1.087 264 A CA -0.652 51.400 52.037 0.025 0.000 0.750 264 A CB 1.503 20.529 19.000 0.043 0.000 1.296 264 A HN 0.500 nan 8.150 nan 0.000 0.423 265 L N 1.957 123.153 121.223 -0.045 0.000 2.376 265 L HA 0.763 5.104 4.340 0.000 0.000 0.275 265 L C -1.186 175.626 176.870 -0.097 0.000 0.987 265 L CA -0.340 54.464 54.840 -0.060 0.000 0.828 265 L CB 1.215 43.251 42.059 -0.039 0.000 1.249 265 L HN 0.701 nan 8.230 nan 0.000 0.409 266 I N 5.109 125.571 120.570 -0.179 0.000 2.433 266 I HA 0.560 4.730 4.170 0.000 0.000 0.292 266 I C -1.272 174.553 176.117 -0.486 0.000 1.001 266 I CA -0.693 60.410 61.300 -0.328 0.000 1.119 266 I CB 1.475 39.227 38.000 -0.413 0.000 1.289 266 I HN 0.596 nan 8.210 nan 0.000 0.438 267 I N 8.294 128.613 120.570 -0.418 0.000 2.339 267 I HA 0.237 4.407 4.170 0.000 0.000 0.290 267 I C -1.028 174.782 176.117 -0.511 0.000 0.994 267 I CA -0.225 60.856 61.300 -0.366 0.000 1.191 267 I CB 0.926 38.862 38.000 -0.106 0.000 1.343 267 I HN 0.313 nan 8.210 nan 0.000 0.458 268 Y N 4.023 124.196 120.300 -0.211 0.000 2.700 268 Y HA 0.379 4.929 4.550 0.000 0.000 0.333 268 Y C 0.089 175.843 175.900 -0.243 0.000 1.036 268 Y CA -0.929 57.020 58.100 -0.253 0.000 1.287 268 Y CB 0.247 38.561 38.460 -0.243 0.000 1.132 268 Y HN 0.406 nan 8.280 nan 0.000 0.510 269 D N 3.310 123.590 120.400 -0.199 0.000 2.472 269 D HA 0.220 4.860 4.640 0.000 0.000 0.234 269 D C -1.097 175.153 176.300 -0.082 0.000 1.088 269 D CA -0.414 53.500 54.000 -0.144 0.000 0.882 269 D CB 0.382 41.034 40.800 -0.248 0.000 1.037 269 D HN 0.572 nan 8.370 nan 0.000 0.520 270 D N 0.983 121.364 120.400 -0.031 0.000 2.493 270 D HA 0.263 4.903 4.640 0.000 0.000 0.239 270 D C 0.938 177.213 176.300 -0.042 0.000 1.049 270 D CA -0.747 53.237 54.000 -0.026 0.000 1.008 270 D CB 1.150 41.950 40.800 -0.001 0.000 1.398 270 D HN 0.116 nan 8.370 nan 0.000 0.513 271 L N 0.223 121.390 121.223 -0.093 0.000 2.591 271 L HA 0.065 4.405 4.340 0.000 0.000 0.228 271 L C 1.466 178.335 176.870 -0.001 0.000 1.133 271 L CA 0.245 54.978 54.840 -0.177 0.000 0.880 271 L CB -0.152 41.585 42.059 -0.537 0.000 1.033 271 L HN 0.383 nan 8.230 nan 0.000 0.450 272 S N 0.079 115.801 115.700 0.036 0.000 2.356 272 S HA -0.068 4.402 4.470 0.000 0.000 0.219 272 S C 1.871 176.558 174.600 0.146 0.000 1.036 272 S CA 0.916 59.177 58.200 0.102 0.000 0.965 272 S CB 0.151 63.398 63.200 0.078 0.000 0.864 272 S HN 0.357 nan 8.310 nan 0.000 0.471 273 K N 1.238 121.703 120.400 0.108 0.000 2.211 273 K HA -0.073 4.247 4.320 0.000 0.000 0.203 273 K C 2.322 179.012 176.600 0.151 0.000 1.050 273 K CA 0.771 57.130 56.287 0.120 0.000 0.945 273 K CB -0.106 32.445 32.500 0.085 0.000 0.732 273 K HN 0.350 nan 8.250 nan 0.000 0.451 274 Q N 0.918 120.806 119.800 0.146 0.000 2.046 274 Q HA -0.134 4.206 4.340 0.000 0.000 0.200 274 Q C 2.130 178.306 176.000 0.293 0.000 0.975 274 Q CA 1.394 57.312 55.803 0.192 0.000 0.836 274 Q CB -0.085 28.731 28.738 0.130 0.000 0.896 274 Q HN 0.316 nan 8.270 nan 0.000 0.428 275 A N 0.256 123.260 122.820 0.307 0.000 1.917 275 A HA -0.166 4.154 4.320 0.000 0.000 0.219 275 A C 2.250 180.109 177.584 0.458 0.000 1.182 275 A CA 1.691 53.939 52.037 0.352 0.000 0.633 275 A CB -0.868 18.244 19.000 0.187 0.000 0.819 275 A HN 0.307 nan 8.150 nan 0.000 0.448 276 V N -0.246 119.887 119.914 0.366 0.000 2.287 276 V HA -0.280 3.840 4.120 0.000 0.000 0.248 276 V C 3.080 179.285 176.094 0.184 0.000 1.053 276 V CA 2.062 64.508 62.300 0.244 0.000 1.027 276 V CB -1.263 30.661 31.823 0.169 0.000 0.646 276 V HN 0.650 nan 8.190 nan 0.000 0.447 277 A N -0.825 122.123 122.820 0.214 0.000 1.883 277 A HA -0.306 4.014 4.320 0.000 0.000 0.217 277 A C 2.190 179.916 177.584 0.236 0.000 1.186 277 A CA 2.351 54.512 52.037 0.208 0.000 0.624 277 A CB -0.874 18.279 19.000 0.256 0.000 0.822 277 A HN 0.640 nan 8.150 nan 0.000 0.444 278 Y N 0.606 121.017 120.300 0.184 0.000 2.097 278 Y HA -0.249 4.301 4.550 0.000 0.000 0.282 278 Y C 2.498 178.430 175.900 0.053 0.000 1.152 278 Y CA 2.163 60.328 58.100 0.108 0.000 1.136 278 Y CB -0.679 37.898 38.460 0.195 0.000 0.975 278 Y HN 0.364 nan 8.280 nan 0.000 0.498 279 R N 0.319 120.815 120.500 -0.007 0.000 2.096 279 R HA -0.302 4.038 4.340 0.000 0.000 0.240 279 R C 2.511 178.710 176.300 -0.168 0.000 1.139 279 R CA 2.257 58.268 56.100 -0.148 0.000 0.952 279 R CB -0.527 29.698 30.300 -0.125 0.000 0.854 279 R HN 0.653 nan 8.270 nan 0.000 0.436 280 Q N 0.298 120.049 119.800 -0.081 0.000 1.993 280 Q HA -0.259 4.081 4.340 0.000 0.000 0.202 280 Q C 2.251 178.194 176.000 -0.095 0.000 0.984 280 Q CA 2.147 57.908 55.803 -0.070 0.000 0.837 280 Q CB -0.255 28.472 28.738 -0.017 0.000 0.902 280 Q HN 0.502 nan 8.270 nan 0.000 0.423 281 M N -0.039 119.509 119.600 -0.086 0.000 2.082 281 M HA -0.221 4.259 4.480 0.000 0.000 0.258 281 M C 2.287 178.486 176.300 -0.168 0.000 1.069 281 M CA 2.195 57.426 55.300 -0.115 0.000 1.102 281 M CB -0.256 32.269 32.600 -0.125 0.000 1.336 281 M HN 0.284 nan 8.290 nan 0.000 0.404 282 S N 0.402 115.938 115.700 -0.274 0.000 2.368 282 S HA -0.091 4.379 4.470 0.000 0.000 0.225 282 S C 1.740 176.225 174.600 -0.193 0.000 1.030 282 S CA 1.318 59.336 58.200 -0.304 0.000 0.999 282 S CB -0.361 62.463 63.200 -0.627 0.000 0.844 282 S HN 0.561 nan 8.310 nan 0.000 0.459 283 L N 0.836 121.957 121.223 -0.169 0.000 2.056 283 L HA -0.009 4.331 4.340 0.000 0.000 0.207 283 L C 2.072 178.888 176.870 -0.089 0.000 1.078 283 L CA 0.865 55.635 54.840 -0.117 0.000 0.749 283 L CB -0.453 41.541 42.059 -0.109 0.000 0.901 283 L HN 0.304 nan 8.230 nan 0.000 0.433 284 L N -0.522 120.649 121.223 -0.088 0.000 2.450 284 L HA -0.178 4.162 4.340 0.000 0.000 0.224 284 L C 1.959 178.790 176.870 -0.064 0.000 1.149 284 L CA 0.736 55.536 54.840 -0.068 0.000 0.816 284 L CB -0.258 41.763 42.059 -0.064 0.000 0.932 284 L HN 0.300 nan 8.230 nan 0.000 0.449 285 L N -0.305 120.873 121.223 -0.075 0.000 2.592 285 L HA 0.140 4.480 4.340 0.000 0.000 0.227 285 L C 0.524 177.365 176.870 -0.048 0.000 1.127 285 L CA -0.124 54.681 54.840 -0.059 0.000 0.884 285 L CB 0.108 42.128 42.059 -0.065 0.000 1.065 285 L HN 0.255 nan 8.230 nan 0.000 0.457 286 R N -0.546 119.923 120.500 -0.052 0.000 3.774 286 R HA -0.162 4.178 4.340 0.000 0.000 0.320 286 R C -0.118 176.158 176.300 -0.041 0.000 1.175 286 R CA 0.446 56.521 56.100 -0.042 0.000 0.849 286 R CB -2.412 27.870 30.300 -0.030 0.000 1.365 286 R HN 0.338 nan 8.270 nan 0.000 0.502 287 R N 1.820 122.287 120.500 -0.054 0.000 2.267 287 R HA 0.245 4.585 4.340 0.000 0.000 0.319 287 R C -1.939 174.335 176.300 -0.044 0.000 1.067 287 R CA -1.674 54.400 56.100 -0.044 0.000 0.936 287 R CB 0.635 30.901 30.300 -0.056 0.000 1.006 287 R HN -0.139 nan 8.270 nan 0.000 0.452 288 P HA -0.039 nan 4.420 nan 0.000 0.261 288 P C -2.282 175.003 177.300 -0.025 0.000 1.173 288 P CA -0.668 62.418 63.100 -0.024 0.000 0.760 288 P CB -0.021 31.671 31.700 -0.012 0.000 0.783 289 P HA 0.198 nan 4.420 nan 0.000 0.272 289 P C 0.265 177.563 177.300 -0.002 0.000 1.230 289 P CA 0.136 63.217 63.100 -0.031 0.000 0.788 289 P CB 0.871 32.542 31.700 -0.048 0.000 0.949 290 G N 0.505 109.321 108.800 0.028 0.000 3.257 290 G HA2 0.415 4.375 3.960 0.000 0.000 0.205 290 G HA3 0.415 4.375 3.960 0.000 0.000 0.205 290 G C -0.675 174.250 174.900 0.041 0.000 1.234 290 G CA -0.949 44.177 45.100 0.042 0.000 0.918 290 G HN 0.556 nan 8.290 nan 0.000 0.602 291 R N 0.393 120.905 120.500 0.020 0.000 2.566 291 R HA 0.047 4.387 4.340 0.000 0.000 0.273 291 R C 0.400 176.741 176.300 0.069 0.000 0.981 291 R CA 1.321 57.378 56.100 -0.071 0.000 1.091 291 R CB -0.234 29.856 30.300 -0.349 0.000 0.924 291 R HN 0.722 nan 8.270 nan 0.000 0.411 292 E N 2.379 122.600 120.200 0.035 0.000 2.971 292 E HA -0.380 3.970 4.350 0.000 0.000 0.271 292 E C 0.412 177.026 176.600 0.022 0.000 1.053 292 E CA 0.638 57.109 56.400 0.118 0.000 0.817 292 E CB -1.018 28.882 29.700 0.332 0.000 1.410 292 E HN 0.880 nan 8.360 nan 0.000 0.445 293 A N -2.818 119.992 122.820 -0.017 0.000 3.663 293 A HA -0.287 4.033 4.320 0.000 0.000 0.254 293 A C 0.166 177.661 177.584 -0.149 0.000 1.037 293 A CA 1.476 53.442 52.037 -0.119 0.000 1.450 293 A CB -1.686 17.196 19.000 -0.198 0.000 1.014 293 A HN 0.353 nan 8.150 nan 0.000 0.865 294 Y N 0.362 120.696 120.300 0.056 0.000 2.314 294 Y HA 0.471 5.021 4.550 0.000 0.000 0.334 294 Y C -1.666 174.253 175.900 0.032 0.000 1.266 294 Y CA -1.463 56.669 58.100 0.053 0.000 1.391 294 Y CB -0.038 38.511 38.460 0.148 0.000 1.306 294 Y HN 0.126 nan 8.280 nan 0.000 0.558 295 P HA -0.034 nan 4.420 nan 0.000 0.268 295 P C 0.627 178.046 177.300 0.198 0.000 1.208 295 P CA 0.556 63.702 63.100 0.078 0.000 0.777 295 P CB 0.597 32.263 31.700 -0.057 0.000 0.875 296 G N 1.597 110.492 108.800 0.158 0.000 2.559 296 G HA2 -0.165 3.795 3.960 0.000 0.000 0.216 296 G HA3 -0.165 3.795 3.960 0.000 0.000 0.216 296 G C 0.421 175.459 174.900 0.230 0.000 1.126 296 G CA 0.389 45.594 45.100 0.175 0.000 0.778 296 G HN 0.617 nan 8.290 nan 0.000 0.543 297 D N 0.576 121.143 120.400 0.280 0.000 2.643 297 D HA 0.070 4.710 4.640 0.000 0.000 0.244 297 D C 1.805 178.295 176.300 0.317 0.000 1.257 297 D CA -0.196 53.999 54.000 0.326 0.000 0.831 297 D CB -0.086 40.927 40.800 0.356 0.000 1.043 297 D HN 0.185 nan 8.370 nan 0.000 0.488 298 V N -1.531 118.546 119.914 0.271 0.000 2.515 298 V HA -0.140 3.980 4.120 0.000 0.000 0.250 298 V C 2.228 178.293 176.094 -0.049 0.000 1.058 298 V CA 0.898 63.246 62.300 0.080 0.000 1.064 298 V CB -1.344 30.434 31.823 -0.075 0.000 0.675 298 V HN 0.196 nan 8.190 nan 0.000 0.461 299 F N 1.224 121.146 119.950 -0.046 0.000 2.046 299 F HA -0.234 4.293 4.527 0.000 0.000 0.297 299 F C 2.410 178.237 175.800 0.045 0.000 1.123 299 F CA 1.993 59.973 58.000 -0.034 0.000 1.199 299 F CB -0.852 38.166 39.000 0.030 0.000 0.972 299 F HN 0.184 nan 8.300 nan 0.000 0.474 300 Y N 1.037 121.308 120.300 -0.049 0.000 2.139 300 Y HA -0.280 4.270 4.550 0.000 0.000 0.282 300 Y C 2.339 178.102 175.900 -0.227 0.000 1.179 300 Y CA 1.881 59.865 58.100 -0.194 0.000 1.161 300 Y CB -1.224 37.239 38.460 0.005 0.000 0.970 300 Y HN 0.306 nan 8.280 nan 0.000 0.511 301 L N -0.282 120.761 121.223 -0.301 0.000 2.021 301 L HA -0.300 4.040 4.340 0.000 0.000 0.215 301 L C 2.202 178.890 176.870 -0.303 0.000 1.074 301 L CA 2.580 57.160 54.840 -0.432 0.000 0.760 301 L CB -0.827 40.912 42.059 -0.534 0.000 0.889 301 L HN 0.395 nan 8.230 nan 0.000 0.433 302 H N -1.596 117.299 119.070 -0.291 0.000 2.465 302 H HA -0.008 4.548 4.556 0.000 0.000 0.289 302 H C 2.393 177.507 175.328 -0.356 0.000 1.022 302 H CA 0.683 56.537 56.048 -0.323 0.000 1.340 302 H CB 0.073 29.678 29.762 -0.261 0.000 1.437 302 H HN 0.575 nan 8.280 nan 0.000 0.539 303 S N 1.297 116.781 115.700 -0.361 0.000 2.348 303 S HA -0.244 4.226 4.470 0.000 0.000 0.221 303 S C 2.065 176.554 174.600 -0.186 0.000 1.033 303 S CA 1.070 59.047 58.200 -0.371 0.000 1.010 303 S CB -0.338 62.456 63.200 -0.677 0.000 0.891 303 S HN 0.295 nan 8.310 nan 0.000 0.442 304 R N 0.555 120.947 120.500 -0.180 0.000 2.134 304 R HA -0.159 4.181 4.340 0.000 0.000 0.248 304 R C 2.428 178.684 176.300 -0.073 0.000 1.143 304 R CA 1.897 57.921 56.100 -0.127 0.000 0.957 304 R CB -0.627 29.446 30.300 -0.379 0.000 0.867 304 R HN 0.545 nan 8.270 nan 0.000 0.441 305 L N 0.402 121.555 121.223 -0.117 0.000 1.993 305 L HA -0.085 4.256 4.340 0.000 0.000 0.206 305 L C 1.936 178.710 176.870 -0.160 0.000 1.074 305 L CA 1.623 56.347 54.840 -0.195 0.000 0.746 305 L CB -0.332 41.423 42.059 -0.507 0.000 0.896 305 L HN 0.183 nan 8.230 nan 0.000 0.435 306 L N -0.334 120.789 121.223 -0.166 0.000 2.362 306 L HA -0.112 4.228 4.340 0.000 0.000 0.219 306 L C 2.423 179.277 176.870 -0.026 0.000 1.134 306 L CA 0.565 55.365 54.840 -0.067 0.000 0.807 306 L CB -0.701 41.311 42.059 -0.078 0.000 0.927 306 L HN 0.375 nan 8.230 nan 0.000 0.447 307 E N 0.492 120.670 120.200 -0.035 0.000 2.268 307 E HA -0.152 4.198 4.350 0.000 0.000 0.195 307 E C 2.212 178.813 176.600 0.001 0.000 0.995 307 E CA 0.673 57.066 56.400 -0.011 0.000 0.836 307 E CB 0.076 29.774 29.700 -0.005 0.000 0.763 307 E HN 0.491 nan 8.360 nan 0.000 0.491 308 R N 0.658 121.162 120.500 0.008 0.000 2.148 308 R HA 0.003 4.343 4.340 0.000 0.000 0.227 308 R C 1.042 177.363 176.300 0.035 0.000 1.103 308 R CA 0.637 56.752 56.100 0.025 0.000 0.983 308 R CB -0.131 30.192 30.300 0.038 0.000 0.874 308 R HN -0.060 nan 8.270 nan 0.000 0.451 309 A N 1.067 123.912 122.820 0.042 0.000 2.492 309 A HA 0.524 4.844 4.320 0.000 0.000 0.254 309 A C -0.133 177.461 177.584 0.016 0.000 1.091 309 A CA 0.360 52.420 52.037 0.037 0.000 0.768 309 A CB 0.209 19.232 19.000 0.040 0.000 1.028 309 A HN 0.351 nan 8.150 nan 0.000 0.498 310 A N 2.301 125.128 122.820 0.012 0.000 2.586 310 A HA 0.692 5.012 4.320 0.000 0.000 0.291 310 A C -0.874 176.710 177.584 0.000 0.000 1.062 310 A CA -0.741 51.295 52.037 -0.003 0.000 0.666 310 A CB 0.956 19.948 19.000 -0.013 0.000 1.281 310 A HN 0.907 nan 8.150 nan 0.000 0.421 311 K N 1.666 122.059 120.400 -0.011 0.000 2.316 311 K HA 0.598 4.918 4.320 0.000 0.000 0.267 311 K C -0.565 176.035 176.600 0.000 0.000 1.025 311 K CA -0.307 55.979 56.287 -0.001 0.000 0.896 311 K CB 0.393 32.884 32.500 -0.014 0.000 1.124 311 K HN 0.620 nan 8.250 nan 0.000 0.451 312 M N 2.994 122.609 119.600 0.026 0.000 2.274 312 M HA 0.212 4.692 4.480 0.000 0.000 0.344 312 M C 0.321 176.670 176.300 0.082 0.000 1.161 312 M CA -0.737 54.574 55.300 0.019 0.000 1.126 312 M CB 0.448 33.085 32.600 0.061 0.000 1.522 312 M HN 0.717 nan 8.290 nan 0.000 0.461 313 N N 1.052 119.823 118.700 0.117 0.000 2.381 313 N HA 0.058 4.798 4.740 0.000 0.000 0.254 313 N C 0.128 175.750 175.510 0.186 0.000 1.264 313 N CA -0.240 52.901 53.050 0.152 0.000 0.942 313 N CB 0.427 39.015 38.487 0.169 0.000 1.190 313 N HN 0.426 nan 8.380 nan 0.000 0.495 314 D N -0.331 120.140 120.400 0.119 0.000 2.182 314 D HA -0.156 4.485 4.640 0.000 0.000 0.201 314 D C 1.579 177.916 176.300 0.062 0.000 0.986 314 D CA 1.649 55.696 54.000 0.079 0.000 0.847 314 D CB -0.501 40.326 40.800 0.045 0.000 0.942 314 D HN 0.733 nan 8.370 nan 0.000 0.467 315 A N -0.136 122.735 122.820 0.085 0.000 2.070 315 A HA -0.137 4.183 4.320 0.000 0.000 0.220 315 A C 1.236 178.648 177.584 -0.286 0.000 1.159 315 A CA 0.895 52.881 52.037 -0.085 0.000 0.656 315 A CB -0.472 18.477 19.000 -0.084 0.000 0.800 315 A HN 0.171 nan 8.150 nan 0.000 0.453 316 F N -1.695 118.255 119.950 0.000 0.000 2.698 316 F HA 0.452 4.979 4.527 0.000 0.000 0.304 316 F C 1.580 177.375 175.800 -0.009 0.000 1.108 316 F CA 0.217 58.214 58.000 -0.004 0.000 1.263 316 F CB 0.546 39.546 39.000 0.001 0.000 1.013 316 F HN 0.288 nan 8.300 nan 0.000 0.532 317 G N -0.500 108.367 108.800 0.111 0.000 2.218 317 G HA2 -0.079 3.881 3.960 0.000 0.000 0.216 317 G HA3 -0.079 3.881 3.960 0.000 0.000 0.216 317 G C 1.315 176.256 174.900 0.068 0.000 0.994 317 G CA -0.128 45.007 45.100 0.057 0.000 0.637 317 G HN 1.013 nan 8.290 nan 0.000 0.505 318 G N -0.233 108.635 108.800 0.113 0.000 2.186 318 G HA2 0.123 4.083 3.960 0.000 0.000 0.266 318 G HA3 0.123 4.083 3.960 0.000 0.000 0.266 318 G C 1.546 176.549 174.900 0.173 0.000 0.982 318 G CA 1.289 46.462 45.100 0.122 0.000 0.670 318 G HN 2.097 nan 8.290 nan 0.000 0.533 319 G N -0.629 108.252 108.800 0.135 0.000 2.653 319 G HA2 0.702 4.663 3.960 0.000 0.000 0.265 319 G HA3 0.702 4.663 3.960 0.000 0.000 0.265 319 G C 0.332 175.380 174.900 0.246 0.000 1.237 319 G CA 1.067 46.278 45.100 0.185 0.000 0.946 319 G HN 1.896 nan 8.290 nan 0.000 0.522 320 S N -1.905 113.983 115.700 0.312 0.000 2.615 320 S HA 0.603 5.073 4.470 0.000 0.000 0.269 320 S C -1.760 172.921 174.600 0.135 0.000 1.161 320 S CA -0.797 57.495 58.200 0.153 0.000 0.817 320 S CB 1.847 65.066 63.200 0.030 0.000 1.131 320 S HN 1.178 nan 8.310 nan 0.000 0.467 321 L N 1.450 122.714 121.223 0.067 0.000 2.406 321 L HA 0.759 5.099 4.340 0.000 0.000 0.272 321 L C -0.920 175.953 176.870 0.006 0.000 0.980 321 L CA 0.219 55.091 54.840 0.054 0.000 0.831 321 L CB 1.853 43.956 42.059 0.073 0.000 1.253 321 L HN 0.958 nan 8.230 nan 0.000 0.406 322 T N 4.235 118.775 114.554 -0.022 0.000 2.797 322 T HA 0.870 5.220 4.350 0.000 0.000 0.279 322 T C -0.405 174.256 174.700 -0.065 0.000 0.991 322 T CA -0.310 61.763 62.100 -0.045 0.000 0.979 322 T CB 1.466 70.295 68.868 -0.065 0.000 0.943 322 T HN 0.794 nan 8.240 nan 0.000 0.444 323 A N 3.283 126.072 122.820 -0.051 0.000 2.350 323 A HA 0.813 5.133 4.320 0.000 0.000 0.324 323 A C -0.616 176.923 177.584 -0.074 0.000 1.118 323 A CA -0.744 51.237 52.037 -0.094 0.000 0.783 323 A CB 0.776 19.794 19.000 0.031 0.000 1.236 323 A HN 0.863 nan 8.150 nan 0.000 0.457 324 L N 3.979 125.123 121.223 -0.133 0.000 2.445 324 L HA 0.321 4.661 4.340 0.000 0.000 0.252 324 L C -2.433 174.401 176.870 -0.059 0.000 1.105 324 L CA -1.725 53.073 54.840 -0.070 0.000 0.943 324 L CB 1.634 43.658 42.059 -0.059 0.000 1.277 324 L HN 0.484 nan 8.230 nan 0.000 0.465 325 P HA 0.201 nan 4.420 nan 0.000 0.278 325 P C -0.541 176.761 177.300 0.004 0.000 1.238 325 P CA -0.195 62.953 63.100 0.079 0.000 0.794 325 P CB 1.987 33.716 31.700 0.049 0.000 0.955 326 V N 3.978 123.886 119.914 -0.010 0.000 2.581 326 V HA 0.484 4.604 4.120 0.000 0.000 0.303 326 V C 0.241 176.322 176.094 -0.023 0.000 1.041 326 V CA -0.598 61.697 62.300 -0.007 0.000 0.907 326 V CB 1.860 33.685 31.823 0.004 0.000 0.994 326 V HN 0.421 nan 8.190 nan 0.000 0.442 327 I N 2.868 123.437 120.570 -0.001 0.000 2.619 327 I HA 0.408 4.578 4.170 0.000 0.000 0.292 327 I C -0.242 175.899 176.117 0.039 0.000 1.100 327 I CA -0.429 60.874 61.300 0.004 0.000 1.043 327 I CB 2.245 40.242 38.000 -0.005 0.000 1.239 327 I HN 0.823 nan 8.210 nan 0.000 0.420 328 E N 4.741 124.969 120.200 0.046 0.000 2.115 328 E HA 0.402 4.752 4.350 0.000 0.000 0.282 328 E C -0.387 176.258 176.600 0.076 0.000 0.987 328 E CA -0.387 56.048 56.400 0.060 0.000 0.797 328 E CB 1.064 30.797 29.700 0.055 0.000 1.086 328 E HN 0.697 nan 8.360 nan 0.000 0.397 329 T N 1.915 116.527 114.554 0.097 0.000 2.824 329 T HA 0.326 4.676 4.350 0.000 0.000 0.277 329 T C -0.019 174.738 174.700 0.095 0.000 0.975 329 T CA -0.924 61.241 62.100 0.109 0.000 0.966 329 T CB 1.263 70.231 68.868 0.166 0.000 1.054 329 T HN 0.437 nan 8.240 nan 0.000 0.533 330 Q N -0.092 119.764 119.800 0.094 0.000 2.353 330 Q HA 0.552 4.892 4.340 0.000 0.000 0.268 330 Q C -0.075 175.975 176.000 0.084 0.000 1.045 330 Q CA -0.722 55.129 55.803 0.080 0.000 0.811 330 Q CB 1.936 30.719 28.738 0.075 0.000 1.305 330 Q HN 1.278 nan 8.270 nan 0.000 0.447 331 A N 1.634 124.498 122.820 0.075 0.000 2.466 331 A HA -0.172 4.148 4.320 0.000 0.000 0.295 331 A C 1.146 178.794 177.584 0.105 0.000 1.465 331 A CA 1.012 53.095 52.037 0.077 0.000 0.744 331 A CB -2.199 16.840 19.000 0.065 0.000 1.098 331 A HN 1.491 nan 8.150 nan 0.000 0.402 332 G N -0.247 108.632 108.800 0.132 0.000 2.453 332 G HA2 -0.249 3.711 3.960 0.000 0.000 0.313 332 G HA3 -0.249 3.711 3.960 0.000 0.000 0.313 332 G C 0.086 175.125 174.900 0.232 0.000 0.948 332 G CA 1.295 46.532 45.100 0.229 0.000 0.846 332 G HN 1.706 nan 8.290 nan 0.000 0.512 333 D N -0.275 120.208 120.400 0.138 0.000 2.422 333 D HA 0.380 5.020 4.640 0.000 0.000 0.227 333 D C 1.640 177.956 176.300 0.027 0.000 1.190 333 D CA 0.065 54.111 54.000 0.076 0.000 0.905 333 D CB 0.707 41.545 40.800 0.065 0.000 1.034 333 D HN 0.275 nan 8.370 nan 0.000 0.507 334 V N 1.290 121.155 119.914 -0.082 0.000 3.217 334 V HA -0.044 4.076 4.120 0.000 0.000 0.264 334 V C 1.746 177.774 176.094 -0.111 0.000 1.135 334 V CA 0.846 63.031 62.300 -0.192 0.000 1.142 334 V CB -0.435 31.074 31.823 -0.523 0.000 0.754 334 V HN 0.355 nan 8.190 nan 0.000 0.484 335 S N 1.093 116.756 115.700 -0.062 0.000 2.461 335 S HA 0.317 4.787 4.470 0.000 0.000 0.228 335 S C 1.418 176.028 174.600 0.016 0.000 1.005 335 S CA 0.480 58.664 58.200 -0.027 0.000 0.942 335 S CB -0.437 62.755 63.200 -0.015 0.000 0.776 335 S HN 0.916 nan 8.310 nan 0.000 0.514 336 A N 1.551 124.391 122.820 0.034 0.000 2.616 336 A HA -0.016 4.304 4.320 0.000 0.000 0.234 336 A C 0.948 178.596 177.584 0.107 0.000 1.024 336 A CA 0.115 52.201 52.037 0.082 0.000 0.758 336 A CB -0.413 18.634 19.000 0.077 0.000 0.939 336 A HN 0.440 nan 8.150 nan 0.000 0.510 337 Y N 2.972 123.284 120.300 0.020 0.000 2.030 337 Y HA -0.303 4.247 4.550 0.000 0.000 0.272 337 Y C 1.684 177.589 175.900 0.009 0.000 1.185 337 Y CA 2.737 60.847 58.100 0.015 0.000 1.120 337 Y CB -0.523 37.955 38.460 0.030 0.000 0.955 337 Y HN 0.601 nan 8.280 nan 0.000 0.495 338 I N 0.221 120.675 120.570 -0.193 0.000 2.113 338 I HA -0.202 3.968 4.170 0.000 0.000 0.238 338 I C -0.621 175.416 176.117 -0.134 0.000 1.070 338 I CA 1.722 62.842 61.300 -0.299 0.000 1.332 338 I CB -1.683 36.173 38.000 -0.240 0.000 1.044 338 I HN 0.166 nan 8.210 nan 0.000 0.402 339 P HA -0.229 nan 4.420 nan 0.000 0.217 339 P C 1.687 178.963 177.300 -0.040 0.000 1.162 339 P CA 2.784 65.867 63.100 -0.029 0.000 0.901 339 P CB -0.387 31.306 31.700 -0.012 0.000 0.793 340 T N -4.441 110.089 114.554 -0.040 0.000 2.904 340 T HA -0.081 4.269 4.350 0.000 0.000 0.267 340 T C 1.704 176.390 174.700 -0.024 0.000 1.059 340 T CA 1.105 63.188 62.100 -0.029 0.000 1.137 340 T CB -1.090 67.771 68.868 -0.012 0.000 0.879 340 T HN -0.036 nan 8.240 nan 0.000 0.467 341 N N 1.565 120.219 118.700 -0.076 0.000 2.036 341 N HA -0.081 4.659 4.740 0.000 0.000 0.195 341 N C 1.909 177.489 175.510 0.116 0.000 1.037 341 N CA 1.448 54.492 53.050 -0.009 0.000 0.855 341 N CB -0.806 37.614 38.487 -0.110 0.000 1.033 341 N HN 0.380 nan 8.380 nan 0.000 0.423 342 V N 1.066 121.011 119.914 0.052 0.000 2.453 342 V HA -0.060 4.060 4.120 0.000 0.000 0.247 342 V C 2.160 178.273 176.094 0.032 0.000 1.048 342 V CA 0.890 63.217 62.300 0.045 0.000 1.049 342 V CB -0.379 31.434 31.823 -0.018 0.000 0.672 342 V HN 0.260 nan 8.190 nan 0.000 0.457 343 I N 1.598 122.177 120.570 0.015 0.000 2.567 343 I HA -0.170 4.000 4.170 0.000 0.000 0.257 343 I C 2.194 178.330 176.117 0.033 0.000 1.184 343 I CA 1.734 63.040 61.300 0.009 0.000 1.451 343 I CB -0.283 37.707 38.000 -0.016 0.000 1.089 343 I HN 0.493 nan 8.210 nan 0.000 0.441 344 S N -0.562 115.177 115.700 0.066 0.000 2.671 344 S HA 0.223 4.693 4.470 0.000 0.000 0.220 344 S C 1.263 175.956 174.600 0.154 0.000 0.951 344 S CA -0.074 58.182 58.200 0.092 0.000 0.932 344 S CB -0.154 63.091 63.200 0.075 0.000 0.777 344 S HN 0.415 nan 8.310 nan 0.000 0.508 345 I N 1.044 121.687 120.570 0.122 0.000 3.873 345 I HA 0.089 4.259 4.170 0.000 0.000 0.284 345 I C 1.327 177.470 176.117 0.043 0.000 1.186 345 I CA 0.482 61.840 61.300 0.097 0.000 1.362 345 I CB 0.164 38.190 38.000 0.042 0.000 1.432 345 I HN 0.355 nan 8.210 nan 0.000 0.454 346 T N -1.551 113.020 114.554 0.027 0.000 2.754 346 T HA 0.084 4.434 4.350 0.000 0.000 0.286 346 T C 0.283 174.993 174.700 0.018 0.000 0.997 346 T CA -0.356 61.753 62.100 0.015 0.000 0.982 346 T CB 0.616 69.489 68.868 0.008 0.000 1.027 346 T HN 0.027 nan 8.240 nan 0.000 0.529 347 D N 0.828 121.234 120.400 0.011 0.000 2.690 347 D HA 0.422 5.062 4.640 0.000 0.000 0.236 347 D C 0.915 177.220 176.300 0.009 0.000 1.218 347 D CA 0.325 54.331 54.000 0.009 0.000 0.829 347 D CB -0.414 40.388 40.800 0.002 0.000 1.009 347 D HN 0.990 nan 8.370 nan 0.000 0.482 348 G N 0.713 109.521 108.800 0.012 0.000 2.347 348 G HA2 0.174 4.134 3.960 0.000 0.000 0.477 348 G HA3 0.174 4.134 3.960 0.000 0.000 0.477 348 G C -1.801 173.111 174.900 0.020 0.000 1.349 348 G CA -1.018 44.091 45.100 0.015 0.000 1.000 348 G HN 0.091 nan 8.290 nan 0.000 0.605 349 Q N -1.267 118.551 119.800 0.031 0.000 2.435 349 Q HA 0.745 5.085 4.340 0.000 0.000 0.282 349 Q C -0.732 175.313 176.000 0.075 0.000 1.020 349 Q CA -0.622 55.209 55.803 0.048 0.000 0.820 349 Q CB 2.157 30.926 28.738 0.051 0.000 1.436 349 Q HN 0.730 nan 8.270 nan 0.000 0.395 350 I N 1.989 122.614 120.570 0.092 0.000 2.390 350 I HA 0.389 4.559 4.170 0.000 0.000 0.283 350 I C -1.148 175.074 176.117 0.175 0.000 1.016 350 I CA -0.722 60.640 61.300 0.104 0.000 1.151 350 I CB 0.629 38.664 38.000 0.059 0.000 1.293 350 I HN 0.517 nan 8.210 nan 0.000 0.458 351 F N 8.124 128.084 119.950 0.017 0.000 2.404 351 F HA 0.554 5.081 4.527 0.000 0.000 0.354 351 F C -0.848 174.968 175.800 0.026 0.000 1.122 351 F CA -0.753 57.259 58.000 0.020 0.000 1.080 351 F CB 0.743 39.755 39.000 0.020 0.000 1.131 351 F HN 0.196 nan 8.300 nan 0.000 0.471 352 L N 6.161 127.148 121.223 -0.394 0.000 2.275 352 L HA 0.446 4.786 4.340 0.000 0.000 0.288 352 L C -0.293 176.228 176.870 -0.583 0.000 1.046 352 L CA -0.503 54.118 54.840 -0.364 0.000 0.805 352 L CB 1.391 43.361 42.059 -0.149 0.000 1.193 352 L HN 0.586 nan 8.230 nan 0.000 0.426 353 E N 0.259 120.204 120.200 -0.425 0.000 2.195 353 E HA 0.185 4.535 4.350 0.000 0.000 0.271 353 E C 0.514 177.041 176.600 -0.121 0.000 0.923 353 E CA -0.287 55.915 56.400 -0.330 0.000 0.790 353 E CB 2.104 31.661 29.700 -0.238 0.000 1.155 353 E HN 0.699 nan 8.360 nan 0.000 0.402 354 T N -0.794 113.715 114.554 -0.075 0.000 2.951 354 T HA -0.150 4.200 4.350 0.000 0.000 0.268 354 T C 1.503 176.292 174.700 0.147 0.000 1.073 354 T CA 1.034 63.121 62.100 -0.023 0.000 1.134 354 T CB 0.090 68.981 68.868 0.039 0.000 0.884 354 T HN 0.543 nan 8.240 nan 0.000 0.479 355 E N 1.073 121.346 120.200 0.121 0.000 2.031 355 E HA -0.121 4.229 4.350 0.000 0.000 0.193 355 E C 2.201 178.885 176.600 0.140 0.000 0.994 355 E CA 1.196 57.688 56.400 0.153 0.000 0.800 355 E CB -0.337 29.421 29.700 0.096 0.000 0.752 355 E HN 0.588 nan 8.360 nan 0.000 0.447 356 L N 0.062 121.332 121.223 0.078 0.000 2.012 356 L HA -0.174 4.166 4.340 0.000 0.000 0.210 356 L C 2.588 179.494 176.870 0.060 0.000 1.073 356 L CA 1.313 56.185 54.840 0.054 0.000 0.748 356 L CB -0.590 41.477 42.059 0.014 0.000 0.891 356 L HN 0.213 nan 8.230 nan 0.000 0.431 357 F N -0.051 119.825 119.950 -0.123 0.000 2.065 357 F HA -0.316 4.211 4.527 0.000 0.000 0.298 357 F C 2.410 178.075 175.800 -0.225 0.000 1.112 357 F CA 1.709 59.575 58.000 -0.223 0.000 1.212 357 F CB -0.432 38.344 39.000 -0.373 0.000 0.975 357 F HN -0.062 nan 8.300 nan 0.000 0.476 358 Y N 0.292 120.772 120.300 0.301 0.000 2.242 358 Y HA -0.143 4.407 4.550 0.000 0.000 0.291 358 Y C 2.375 178.319 175.900 0.072 0.000 1.137 358 Y CA 1.549 59.762 58.100 0.188 0.000 1.181 358 Y CB -0.850 37.700 38.460 0.149 0.000 0.989 358 Y HN -0.003 nan 8.280 nan 0.000 0.527 359 K N -0.835 119.674 120.400 0.182 0.000 2.442 359 K HA -0.036 4.284 4.320 0.000 0.000 0.198 359 K C 1.486 178.109 176.600 0.038 0.000 1.044 359 K CA 0.927 57.273 56.287 0.100 0.000 0.948 359 K CB -0.313 32.235 32.500 0.081 0.000 0.762 359 K HN 0.526 nan 8.250 nan 0.000 0.472 360 G N 0.230 109.017 108.800 -0.022 0.000 2.253 360 G HA2 -0.176 3.784 3.960 0.000 0.000 0.209 360 G HA3 -0.176 3.784 3.960 0.000 0.000 0.209 360 G C 0.045 174.879 174.900 -0.111 0.000 0.997 360 G CA -0.327 44.728 45.100 -0.075 0.000 0.640 360 G HN 0.105 nan 8.290 nan 0.000 0.496 361 I N 2.945 123.468 120.570 -0.079 0.000 2.455 361 I HA 0.269 4.439 4.170 0.000 0.000 0.303 361 I C 0.659 176.696 176.117 -0.134 0.000 1.180 361 I CA 0.482 61.739 61.300 -0.072 0.000 1.469 361 I CB -0.933 37.057 38.000 -0.017 0.000 1.480 361 I HN 0.181 nan 8.210 nan 0.000 0.669 362 R N 6.249 126.640 120.500 -0.182 0.000 2.480 362 R HA 0.469 4.809 4.340 0.000 0.000 0.306 362 R C -2.571 173.653 176.300 -0.127 0.000 0.958 362 R CA -1.848 54.119 56.100 -0.221 0.000 0.861 362 R CB 1.813 31.862 30.300 -0.419 0.000 1.171 362 R HN 0.157 nan 8.270 nan 0.000 0.445 363 P HA -0.050 nan 4.420 nan 0.000 0.267 363 P C -0.119 177.157 177.300 -0.040 0.000 1.200 363 P CA 0.158 63.225 63.100 -0.055 0.000 0.772 363 P CB 0.665 32.348 31.700 -0.029 0.000 0.855 364 A N 3.698 126.521 122.820 0.004 0.000 2.543 364 A HA 0.108 4.428 4.320 0.000 0.000 0.258 364 A C 0.597 178.154 177.584 -0.045 0.000 1.391 364 A CA -0.137 51.898 52.037 -0.002 0.000 1.066 364 A CB -1.490 17.548 19.000 0.063 0.000 0.972 364 A HN 0.490 nan 8.150 nan 0.000 0.560 365 I N 1.194 121.749 120.570 -0.025 0.000 2.618 365 I HA -0.054 4.116 4.170 0.000 0.000 0.284 365 I C 0.678 176.796 176.117 0.000 0.000 1.146 365 I CA -0.048 61.244 61.300 -0.013 0.000 1.425 365 I CB 0.386 38.393 38.000 0.012 0.000 1.383 365 I HN 0.329 nan 8.210 nan 0.000 0.562 366 N N 6.966 125.674 118.700 0.013 0.000 2.521 366 N HA 0.093 4.833 4.740 0.000 0.000 0.236 366 N C 0.772 176.348 175.510 0.110 0.000 1.067 366 N CA -0.091 53.002 53.050 0.071 0.000 0.939 366 N CB 1.176 39.740 38.487 0.128 0.000 1.201 366 N HN 0.440 nan 8.380 nan 0.000 0.511 367 V N 3.962 123.926 119.914 0.083 0.000 2.233 367 V HA -0.299 3.822 4.120 0.000 0.000 0.252 367 V C 2.395 178.538 176.094 0.080 0.000 1.063 367 V CA 2.572 64.918 62.300 0.077 0.000 1.032 367 V CB -1.087 30.782 31.823 0.076 0.000 0.645 367 V HN 0.760 nan 8.190 nan 0.000 0.446 368 G N -0.662 108.187 108.800 0.083 0.000 2.491 368 G HA2 -0.241 3.719 3.960 0.000 0.000 0.218 368 G HA3 -0.241 3.719 3.960 0.000 0.000 0.218 368 G C 1.479 176.424 174.900 0.075 0.000 1.180 368 G CA 1.209 46.351 45.100 0.071 0.000 0.774 368 G HN 0.507 nan 8.290 nan 0.000 0.562 369 L N 0.891 122.184 121.223 0.116 0.000 2.492 369 L HA 0.152 4.492 4.340 0.000 0.000 0.223 369 L C 0.871 177.799 176.870 0.097 0.000 1.132 369 L CA -0.186 54.713 54.840 0.098 0.000 0.850 369 L CB -0.035 42.115 42.059 0.152 0.000 0.966 369 L HN 0.053 nan 8.230 nan 0.000 0.454 370 S N 0.054 115.828 115.700 0.122 0.000 2.610 370 S HA 0.560 5.030 4.470 0.000 0.000 0.273 370 S C -0.124 174.511 174.600 0.058 0.000 1.274 370 S CA -0.622 57.639 58.200 0.101 0.000 1.023 370 S CB 2.096 65.360 63.200 0.108 0.000 0.962 370 S HN 0.095 nan 8.310 nan 0.000 0.523 371 V N -0.958 118.982 119.914 0.043 0.000 3.206 371 V HA 0.946 5.066 4.120 0.000 0.000 0.305 371 V C -0.737 175.371 176.094 0.023 0.000 1.257 371 V CA -0.862 61.455 62.300 0.028 0.000 1.057 371 V CB 1.790 33.624 31.823 0.019 0.000 1.075 371 V HN 0.784 nan 8.190 nan 0.000 0.443 372 S N 0.542 116.252 115.700 0.016 0.000 2.733 372 S HA 0.520 4.990 4.470 0.000 0.000 0.294 372 S C 0.375 174.979 174.600 0.007 0.000 1.149 372 S CA -0.766 57.441 58.200 0.010 0.000 1.034 372 S CB 1.663 64.868 63.200 0.007 0.000 1.015 372 S HN 0.855 nan 8.310 nan 0.000 0.486 373 R N 3.169 123.673 120.500 0.006 0.000 2.323 373 R HA 0.104 4.444 4.340 0.000 0.000 0.198 373 R C 1.027 177.328 176.300 0.001 0.000 0.988 373 R CA 0.442 56.545 56.100 0.005 0.000 1.041 373 R CB -0.148 30.156 30.300 0.007 0.000 0.926 373 R HN 0.509 nan 8.270 nan 0.000 0.476 374 V N 0.141 120.053 119.914 -0.002 0.000 2.992 374 V HA 0.106 4.226 4.120 0.000 0.000 0.250 374 V C 1.348 177.439 176.094 -0.005 0.000 1.090 374 V CA 1.091 63.387 62.300 -0.007 0.000 1.101 374 V CB -0.075 31.740 31.823 -0.013 0.000 0.743 374 V HN 0.649 nan 8.190 nan 0.000 0.468 375 G N 1.146 109.945 108.800 -0.002 0.000 2.601 375 G HA2 -0.332 3.628 3.960 0.000 0.000 0.252 375 G HA3 -0.332 3.628 3.960 0.000 0.000 0.252 375 G C 0.962 175.859 174.900 -0.004 0.000 1.294 375 G CA 0.570 45.669 45.100 -0.001 0.000 0.912 375 G HN 0.831 nan 8.290 nan 0.000 0.574 376 S N -0.334 115.365 115.700 -0.003 0.000 2.474 376 S HA 0.230 4.700 4.470 0.000 0.000 0.235 376 S C 2.574 177.170 174.600 -0.008 0.000 0.997 376 S CA 1.625 59.823 58.200 -0.003 0.000 0.949 376 S CB -0.349 62.851 63.200 -0.000 0.000 0.766 376 S HN 2.174 nan 8.310 nan 0.000 0.517 377 A N 1.210 124.025 122.820 -0.009 0.000 2.194 377 A HA 0.305 4.625 4.320 0.000 0.000 0.220 377 A C 2.032 179.603 177.584 -0.021 0.000 1.162 377 A CA 1.342 53.371 52.037 -0.013 0.000 0.674 377 A CB -0.864 18.129 19.000 -0.012 0.000 0.789 377 A HN 0.913 nan 8.150 nan 0.000 0.470 378 A N -1.556 121.251 122.820 -0.022 0.000 2.465 378 A HA 0.389 4.709 4.320 0.000 0.000 0.255 378 A C 0.616 178.180 177.584 -0.032 0.000 1.274 378 A CA -0.226 51.791 52.037 -0.034 0.000 0.920 378 A CB 0.100 19.078 19.000 -0.035 0.000 1.033 378 A HN 0.554 nan 8.150 nan 0.000 0.516 379 Q N 0.665 120.452 119.800 -0.021 0.000 2.309 379 Q HA 0.426 4.766 4.340 0.000 0.000 0.264 379 Q C 0.041 176.034 176.000 -0.012 0.000 1.008 379 Q CA -0.513 55.282 55.803 -0.014 0.000 0.853 379 Q CB 1.849 30.584 28.738 -0.005 0.000 1.314 379 Q HN 0.474 nan 8.270 nan 0.000 0.448 380 T N -0.706 113.843 114.554 -0.009 0.000 2.856 380 T HA 0.113 4.463 4.350 0.000 0.000 0.306 380 T C 0.903 175.604 174.700 0.003 0.000 1.062 380 T CA -0.226 61.871 62.100 -0.005 0.000 1.083 380 T CB 0.824 69.693 68.868 0.001 0.000 0.984 380 T HN 0.583 nan 8.240 nan 0.000 0.542 381 R N 1.527 122.030 120.500 0.004 0.000 2.120 381 R HA 0.067 4.407 4.340 0.000 0.000 0.234 381 R C 2.797 179.107 176.300 0.018 0.000 1.123 381 R CA 1.505 57.611 56.100 0.010 0.000 0.975 381 R CB -1.083 29.223 30.300 0.009 0.000 0.866 381 R HN 0.857 nan 8.270 nan 0.000 0.446 382 A N 0.550 123.380 122.820 0.017 0.000 1.865 382 A HA -0.265 4.056 4.320 0.000 0.000 0.217 382 A C 2.119 179.725 177.584 0.036 0.000 1.191 382 A CA 1.906 53.958 52.037 0.026 0.000 0.623 382 A CB -0.512 18.498 19.000 0.018 0.000 0.826 382 A HN 0.300 nan 8.150 nan 0.000 0.444 383 M N -0.206 119.411 119.600 0.028 0.000 2.099 383 M HA -0.089 4.391 4.480 0.000 0.000 0.262 383 M C 2.018 178.334 176.300 0.027 0.000 1.067 383 M CA 2.325 57.643 55.300 0.030 0.000 1.124 383 M CB -0.402 32.211 32.600 0.022 0.000 1.353 383 M HN 0.416 nan 8.290 nan 0.000 0.410 384 K N -0.499 119.912 120.400 0.019 0.000 2.074 384 K HA -0.259 4.061 4.320 0.000 0.000 0.209 384 K C 2.011 178.624 176.600 0.021 0.000 1.048 384 K CA 2.069 58.365 56.287 0.015 0.000 0.926 384 K CB -0.199 32.307 32.500 0.010 0.000 0.713 384 K HN 0.571 nan 8.250 nan 0.000 0.444 385 Q N -0.009 119.809 119.800 0.030 0.000 2.030 385 Q HA -0.175 4.165 4.340 0.000 0.000 0.204 385 Q C 2.224 178.251 176.000 0.045 0.000 0.986 385 Q CA 2.268 58.094 55.803 0.040 0.000 0.843 385 Q CB -0.183 28.589 28.738 0.056 0.000 0.904 385 Q HN 0.411 nan 8.270 nan 0.000 0.420 386 V N -2.720 117.230 119.914 0.060 0.000 2.407 386 V HA 0.075 4.195 4.120 0.000 0.000 0.245 386 V C 1.619 177.725 176.094 0.020 0.000 1.041 386 V CA 1.584 63.918 62.300 0.057 0.000 1.040 386 V CB -0.553 31.330 31.823 0.100 0.000 0.671 386 V HN 0.237 nan 8.190 nan 0.000 0.455 387 A N 0.403 123.234 122.820 0.020 0.000 2.460 387 A HA 0.585 4.905 4.320 0.000 0.000 0.258 387 A C 1.930 179.516 177.584 0.004 0.000 1.300 387 A CA 0.514 52.556 52.037 0.008 0.000 0.913 387 A CB -0.700 18.308 19.000 0.013 0.000 1.031 387 A HN 0.627 nan 8.150 nan 0.000 0.512 388 G N 0.549 109.351 108.800 0.004 0.000 2.469 388 G HA2 -0.231 3.729 3.960 0.000 0.000 0.219 388 G HA3 -0.231 3.729 3.960 0.000 0.000 0.219 388 G C 1.460 176.359 174.900 -0.002 0.000 1.150 388 G CA 1.999 47.100 45.100 0.002 0.000 0.763 388 G HN 0.777 nan 8.290 nan 0.000 0.561 389 T N -3.233 111.317 114.554 -0.007 0.000 3.040 389 T HA 0.288 4.638 4.350 0.000 0.000 0.266 389 T C 2.070 176.765 174.700 -0.008 0.000 1.005 389 T CA 0.544 62.639 62.100 -0.008 0.000 0.906 389 T CB 0.092 68.952 68.868 -0.014 0.000 1.082 389 T HN 0.133 nan 8.240 nan 0.000 0.531 390 M N 1.316 120.910 119.600 -0.011 0.000 2.108 390 M HA -0.148 4.332 4.480 0.000 0.000 0.257 390 M C 2.321 178.624 176.300 0.005 0.000 1.071 390 M CA 1.845 57.138 55.300 -0.011 0.000 1.093 390 M CB -0.223 32.370 32.600 -0.013 0.000 1.345 390 M HN 0.262 nan 8.290 nan 0.000 0.403 391 K N 0.290 120.697 120.400 0.012 0.000 1.991 391 K HA -0.178 4.142 4.320 0.000 0.000 0.212 391 K C 1.698 178.316 176.600 0.029 0.000 1.049 391 K CA 1.728 58.029 56.287 0.023 0.000 0.932 391 K CB -0.324 32.189 32.500 0.022 0.000 0.717 391 K HN 0.413 nan 8.250 nan 0.000 0.441 392 L N 0.531 121.766 121.223 0.021 0.000 2.456 392 L HA -0.120 4.220 4.340 0.000 0.000 0.224 392 L C 2.367 179.254 176.870 0.029 0.000 1.148 392 L CA 0.812 55.666 54.840 0.022 0.000 0.825 392 L CB -0.291 41.775 42.059 0.012 0.000 0.937 392 L HN 0.397 nan 8.230 nan 0.000 0.450 393 E N 0.759 120.975 120.200 0.026 0.000 2.051 393 E HA -0.154 4.196 4.350 0.000 0.000 0.189 393 E C 2.347 178.995 176.600 0.079 0.000 0.979 393 E CA 0.658 57.076 56.400 0.030 0.000 0.803 393 E CB 0.077 29.776 29.700 -0.001 0.000 0.761 393 E HN 0.420 nan 8.360 nan 0.000 0.451 394 L N 0.475 121.749 121.223 0.085 0.000 2.141 394 L HA -0.127 4.213 4.340 0.000 0.000 0.209 394 L C 2.536 179.514 176.870 0.180 0.000 1.094 394 L CA 0.909 55.852 54.840 0.171 0.000 0.763 394 L CB -0.349 41.782 42.059 0.121 0.000 0.908 394 L HN 0.227 nan 8.230 nan 0.000 0.437 395 A N -0.703 122.177 122.820 0.099 0.000 1.845 395 A HA -0.226 4.094 4.320 0.000 0.000 0.215 395 A C 2.192 179.809 177.584 0.054 0.000 1.195 395 A CA 1.285 53.360 52.037 0.064 0.000 0.616 395 A CB -0.478 18.547 19.000 0.042 0.000 0.832 395 A HN 0.347 nan 8.150 nan 0.000 0.443 396 Q N -1.712 118.124 119.800 0.060 0.000 2.364 396 Q HA -0.176 4.164 4.340 0.000 0.000 0.209 396 Q C 1.737 177.789 176.000 0.086 0.000 0.977 396 Q CA 1.558 57.389 55.803 0.048 0.000 0.885 396 Q CB -0.376 28.386 28.738 0.039 0.000 0.941 396 Q HN 0.921 nan 8.270 nan 0.000 0.464 397 Y N 0.779 121.080 120.300 0.002 0.000 2.269 397 Y HA -0.029 4.521 4.550 0.000 0.000 0.294 397 Y C 2.018 177.929 175.900 0.019 0.000 1.120 397 Y CA 1.108 59.212 58.100 0.006 0.000 1.159 397 Y CB -0.117 38.344 38.460 0.002 0.000 1.024 397 Y HN -0.093 nan 8.280 nan 0.000 0.532 398 R N 0.421 120.716 120.500 -0.342 0.000 2.096 398 R HA -0.152 4.188 4.340 0.000 0.000 0.235 398 R C 2.308 178.474 176.300 -0.224 0.000 1.127 398 R CA 1.429 57.284 56.100 -0.409 0.000 0.968 398 R CB -0.345 29.862 30.300 -0.155 0.000 0.861 398 R HN 0.338 nan 8.270 nan 0.000 0.440 399 E N 0.754 120.891 120.200 -0.106 0.000 2.001 399 E HA -0.159 4.191 4.350 0.000 0.000 0.195 399 E C 2.038 178.627 176.600 -0.018 0.000 1.002 399 E CA 2.056 58.430 56.400 -0.044 0.000 0.819 399 E CB -0.193 29.486 29.700 -0.034 0.000 0.769 399 E HN 0.153 nan 8.360 nan 0.000 0.454 400 V N 0.668 120.577 119.914 -0.007 0.000 2.380 400 V HA -0.239 3.881 4.120 0.000 0.000 0.251 400 V C 2.621 178.727 176.094 0.021 0.000 1.063 400 V CA 2.242 64.580 62.300 0.063 0.000 1.055 400 V CB -1.639 30.230 31.823 0.078 0.000 0.657 400 V HN 0.335 nan 8.190 nan 0.000 0.455 401 A N 0.491 123.243 122.820 -0.113 0.000 1.978 401 A HA 0.017 4.337 4.320 0.000 0.000 0.220 401 A C 2.414 179.966 177.584 -0.054 0.000 1.170 401 A CA 2.388 54.341 52.037 -0.140 0.000 0.636 401 A CB -0.767 17.980 19.000 -0.422 0.000 0.810 401 A HN 0.827 nan 8.150 nan 0.000 0.448 402 A N -1.411 121.397 122.820 -0.019 0.000 1.861 402 A HA 0.111 4.431 4.320 0.000 0.000 0.212 402 A C 1.857 179.527 177.584 0.142 0.000 1.199 402 A CA 1.151 53.231 52.037 0.072 0.000 0.613 402 A CB -0.748 18.298 19.000 0.077 0.000 0.846 402 A HN 0.617 nan 8.150 nan 0.000 0.446 403 F N 0.874 120.793 119.950 -0.052 0.000 2.481 403 F HA -0.011 4.516 4.527 0.000 0.000 0.297 403 F C 1.613 177.079 175.800 -0.558 0.000 1.095 403 F CA 0.751 58.648 58.000 -0.171 0.000 1.465 403 F CB -0.022 38.896 39.000 -0.138 0.000 1.098 403 F HN 0.198 nan 8.300 nan 0.000 0.585 404 A N -0.571 121.974 122.820 -0.459 0.000 2.610 404 A HA 0.239 4.559 4.320 0.000 0.000 0.291 404 A C 1.095 178.521 177.584 -0.263 0.000 1.116 404 A CA -0.375 51.285 52.037 -0.629 0.000 0.963 404 A CB -0.428 18.393 19.000 -0.298 0.000 1.220 404 A HN 0.384 nan 8.150 nan 0.000 0.530 405 Q N 0.455 120.289 119.800 0.057 0.000 2.425 405 Q HA 0.142 4.483 4.340 0.000 0.000 0.213 405 Q C -1.059 175.244 176.000 0.505 0.000 0.950 405 Q CA 0.295 56.267 55.803 0.282 0.000 0.979 405 Q CB -0.750 28.155 28.738 0.279 0.000 0.997 405 Q HN 0.748 nan 8.270 nan 0.000 0.509 406 F N -4.536 115.360 119.950 -0.091 0.000 3.667 406 F HA 0.308 4.835 4.527 0.000 0.000 0.396 406 F C 0.245 175.972 175.800 -0.120 0.000 1.173 406 F CA -2.105 55.834 58.000 -0.101 0.000 1.453 406 F CB -0.406 38.520 39.000 -0.122 0.000 2.117 406 F HN -0.103 nan 8.300 nan 0.000 0.789 407 G N 1.692 110.460 108.800 -0.053 0.000 2.615 407 G HA2 0.119 4.079 3.960 0.000 0.000 0.273 407 G HA3 0.119 4.079 3.960 0.000 0.000 0.273 407 G C 0.150 174.969 174.900 -0.135 0.000 0.657 407 G CA 0.063 45.098 45.100 -0.107 0.000 2.071 407 G HN 0.648 nan 8.290 nan 0.000 0.562 408 S N 1.980 117.516 115.700 -0.273 0.000 2.858 408 S HA 0.142 4.612 4.470 0.000 0.000 0.328 408 S C 0.616 175.137 174.600 -0.132 0.000 1.149 408 S CA 0.426 58.484 58.200 -0.236 0.000 1.421 408 S CB -0.370 62.533 63.200 -0.495 0.000 1.461 408 S HN 0.907 nan 8.310 nan 0.000 0.587 409 D N 0.617 120.977 120.400 -0.067 0.000 2.956 409 D HA -0.240 4.400 4.640 0.000 0.000 0.206 409 D C -0.621 175.661 176.300 -0.028 0.000 1.269 409 D CA 0.417 54.397 54.000 -0.034 0.000 0.694 409 D CB -1.440 39.351 40.800 -0.016 0.000 0.910 409 D HN 0.509 nan 8.370 nan 0.000 0.389 410 L N 1.237 122.439 121.223 -0.036 0.000 2.319 410 L HA 0.247 4.587 4.340 0.000 0.000 0.280 410 L C 1.727 178.595 176.870 -0.004 0.000 1.099 410 L CA -0.783 54.046 54.840 -0.018 0.000 0.828 410 L CB 0.480 42.521 42.059 -0.030 0.000 1.150 410 L HN 0.330 nan 8.230 nan 0.000 0.442 411 D N 3.137 123.541 120.400 0.006 0.000 2.058 411 D HA -0.018 4.622 4.640 0.000 0.000 0.258 411 D C 0.835 177.136 176.300 0.002 0.000 1.192 411 D CA 0.242 54.244 54.000 0.005 0.000 0.967 411 D CB 0.808 41.613 40.800 0.008 0.000 1.217 411 D HN 0.505 nan 8.370 nan 0.000 0.515 412 A N -0.572 122.247 122.820 -0.000 0.000 1.938 412 A HA 0.366 4.686 4.320 0.000 0.000 0.207 412 A C 2.256 179.837 177.584 -0.004 0.000 1.292 412 A CA 1.345 53.379 52.037 -0.004 0.000 0.700 412 A CB -1.020 17.976 19.000 -0.008 0.000 0.947 412 A HN 0.626 nan 8.150 nan 0.000 0.476 413 A N 0.134 122.952 122.820 -0.004 0.000 2.042 413 A HA -0.201 4.120 4.320 0.000 0.000 0.222 413 A C 2.324 179.910 177.584 0.003 0.000 1.167 413 A CA 2.793 54.827 52.037 -0.005 0.000 0.649 413 A CB -1.187 17.809 19.000 -0.005 0.000 0.809 413 A HN 0.855 nan 8.150 nan 0.000 0.457 414 T N -4.056 110.505 114.554 0.012 0.000 3.051 414 T HA 0.045 4.396 4.350 0.000 0.000 0.255 414 T C 1.816 176.534 174.700 0.030 0.000 1.085 414 T CA 1.065 63.182 62.100 0.029 0.000 1.109 414 T CB -0.080 68.812 68.868 0.041 0.000 0.921 414 T HN 0.500 nan 8.240 nan 0.000 0.488 415 Q N -0.177 119.631 119.800 0.014 0.000 2.187 415 Q HA -0.007 4.333 4.340 0.000 0.000 0.199 415 Q C 2.567 178.566 176.000 -0.002 0.000 0.957 415 Q CA 0.812 56.620 55.803 0.008 0.000 0.857 415 Q CB -0.009 28.728 28.738 -0.001 0.000 0.929 415 Q HN 0.377 nan 8.270 nan 0.000 0.453 416 Q N 0.102 119.895 119.800 -0.011 0.000 2.123 416 Q HA -0.124 4.216 4.340 0.000 0.000 0.199 416 Q C 1.983 177.961 176.000 -0.036 0.000 0.966 416 Q CA 0.770 56.554 55.803 -0.031 0.000 0.845 416 Q CB -0.100 28.617 28.738 -0.035 0.000 0.907 416 Q HN 0.341 nan 8.270 nan 0.000 0.439 417 L N 0.441 121.659 121.223 -0.008 0.000 2.083 417 L HA -0.109 4.231 4.340 0.000 0.000 0.209 417 L C 2.072 178.958 176.870 0.026 0.000 1.083 417 L CA 1.508 56.355 54.840 0.010 0.000 0.752 417 L CB -0.660 41.429 42.059 0.050 0.000 0.899 417 L HN 0.180 nan 8.230 nan 0.000 0.433 418 L N -1.635 119.630 121.223 0.071 0.000 2.240 418 L HA -0.074 4.267 4.340 0.000 0.000 0.211 418 L C 2.348 179.205 176.870 -0.022 0.000 1.106 418 L CA 0.828 55.748 54.840 0.134 0.000 0.793 418 L CB -0.509 41.645 42.059 0.160 0.000 0.927 418 L HN 0.135 nan 8.230 nan 0.000 0.446 419 S N -0.751 114.918 115.700 -0.052 0.000 2.387 419 S HA -0.057 4.413 4.470 0.000 0.000 0.226 419 S C 2.118 176.631 174.600 -0.146 0.000 1.026 419 S CA 0.732 58.884 58.200 -0.081 0.000 0.972 419 S CB -0.066 63.097 63.200 -0.061 0.000 0.814 419 S HN 0.269 nan 8.310 nan 0.000 0.477 420 R N 1.129 121.523 120.500 -0.177 0.000 2.057 420 R HA 0.064 4.404 4.340 0.000 0.000 0.229 420 R C 2.605 178.693 176.300 -0.353 0.000 1.136 420 R CA 1.360 57.331 56.100 -0.216 0.000 0.952 420 R CB -1.491 28.698 30.300 -0.184 0.000 0.848 420 R HN 0.464 nan 8.270 nan 0.000 0.430 421 G N 0.745 109.187 108.800 -0.596 0.000 2.599 421 G HA2 -0.282 3.678 3.960 0.000 0.000 0.219 421 G HA3 -0.282 3.678 3.960 0.000 0.000 0.219 421 G C 1.551 175.852 174.900 -0.997 0.000 1.193 421 G CA 1.694 45.975 45.100 -1.365 0.000 0.778 421 G HN 0.232 nan 8.290 nan 0.000 0.589 422 V N 1.252 120.814 119.914 -0.587 0.000 2.343 422 V HA -0.185 3.935 4.120 0.000 0.000 0.247 422 V C 2.994 179.007 176.094 -0.136 0.000 1.051 422 V CA 2.053 64.244 62.300 -0.183 0.000 1.036 422 V CB -0.536 31.264 31.823 -0.038 0.000 0.654 422 V HN 0.281 nan 8.190 nan 0.000 0.451 423 R N 0.097 120.505 120.500 -0.153 0.000 2.081 423 R HA -0.039 4.301 4.340 0.000 0.000 0.235 423 R C 2.281 178.521 176.300 -0.100 0.000 1.131 423 R CA 1.288 57.322 56.100 -0.109 0.000 0.960 423 R CB -0.968 29.259 30.300 -0.122 0.000 0.856 423 R HN 0.431 nan 8.270 nan 0.000 0.436 424 L N 0.486 121.624 121.223 -0.142 0.000 2.131 424 L HA -0.131 4.209 4.340 0.000 0.000 0.210 424 L C 2.299 179.131 176.870 -0.064 0.000 1.092 424 L CA 1.296 56.073 54.840 -0.105 0.000 0.759 424 L CB -0.542 41.438 42.059 -0.131 0.000 0.903 424 L HN 0.193 nan 8.230 nan 0.000 0.435 425 T N -1.014 113.499 114.554 -0.068 0.000 2.867 425 T HA -0.135 4.215 4.350 0.000 0.000 0.268 425 T C 1.749 176.452 174.700 0.005 0.000 1.057 425 T CA 0.986 63.085 62.100 -0.001 0.000 1.136 425 T CB -0.037 68.864 68.868 0.055 0.000 0.874 425 T HN 0.286 nan 8.240 nan 0.000 0.466 426 E N 0.954 121.151 120.200 -0.004 0.000 2.107 426 E HA 0.059 4.409 4.350 0.000 0.000 0.191 426 E C 2.235 178.843 176.600 0.014 0.000 0.982 426 E CA 0.578 56.984 56.400 0.009 0.000 0.809 426 E CB -0.286 29.422 29.700 0.013 0.000 0.756 426 E HN 0.458 nan 8.360 nan 0.000 0.459 427 L N 0.418 121.646 121.223 0.009 0.000 2.156 427 L HA -0.078 4.262 4.340 0.000 0.000 0.208 427 L C 2.287 179.166 176.870 0.015 0.000 1.095 427 L CA 0.542 55.394 54.840 0.021 0.000 0.770 427 L CB -0.201 41.869 42.059 0.018 0.000 0.914 427 L HN 0.062 nan 8.230 nan 0.000 0.439 428 L N -0.691 120.536 121.223 0.006 0.000 2.552 428 L HA -0.044 4.296 4.340 0.000 0.000 0.227 428 L C 1.046 177.914 176.870 -0.003 0.000 1.146 428 L CA 0.305 55.148 54.840 0.005 0.000 0.858 428 L CB -0.443 41.621 42.059 0.007 0.000 0.969 428 L HN 0.155 nan 8.230 nan 0.000 0.451 429 K N 0.767 121.164 120.400 -0.005 0.000 2.219 429 K HA 0.277 4.597 4.320 0.000 0.000 0.258 429 K C -0.141 176.445 176.600 -0.025 0.000 1.008 429 K CA 0.195 56.469 56.287 -0.022 0.000 0.928 429 K CB 0.748 33.236 32.500 -0.020 0.000 0.983 429 K HN 0.012 nan 8.250 nan 0.000 0.484 430 Q N -0.807 118.966 119.800 -0.044 0.000 2.594 430 Q HA 0.274 4.614 4.340 0.000 0.000 0.278 430 Q C -0.944 175.018 176.000 -0.063 0.000 0.961 430 Q CA -0.549 55.229 55.803 -0.041 0.000 0.844 430 Q CB 1.844 30.560 28.738 -0.037 0.000 1.475 430 Q HN 0.823 nan 8.270 nan 0.000 0.389 431 G N 0.715 109.484 108.800 -0.052 0.000 2.510 431 G HA2 0.398 4.358 3.960 0.000 0.000 0.280 431 G HA3 0.398 4.358 3.960 0.000 0.000 0.280 431 G C -0.746 174.093 174.900 -0.100 0.000 1.386 431 G CA -0.157 44.906 45.100 -0.062 0.000 1.047 431 G HN 0.470 nan 8.290 nan 0.000 0.527 432 Q N -1.606 118.116 119.800 -0.129 0.000 2.226 432 Q HA 0.376 4.716 4.340 0.000 0.000 0.256 432 Q C -0.749 175.112 176.000 -0.231 0.000 0.962 432 Q CA -0.669 54.919 55.803 -0.359 0.000 0.887 432 Q CB 1.533 29.894 28.738 -0.628 0.000 1.282 432 Q HN 0.540 nan 8.270 nan 0.000 0.449 433 Y N -1.427 118.867 120.300 -0.010 0.000 4.881 433 Y HA -0.260 4.290 4.550 0.000 0.000 0.241 433 Y C 0.179 176.070 175.900 -0.014 0.000 0.985 433 Y CA 0.788 58.880 58.100 -0.013 0.000 1.976 433 Y CB -1.966 36.485 38.460 -0.015 0.000 1.528 433 Y HN 0.345 nan 8.280 nan 0.000 0.581 434 S N 0.397 116.136 115.700 0.065 0.000 2.143 434 S HA 0.363 4.833 4.470 0.000 0.000 0.188 434 S C -2.407 172.197 174.600 0.007 0.000 1.431 434 S CA -0.976 57.248 58.200 0.039 0.000 1.253 434 S CB 0.565 63.783 63.200 0.030 0.000 1.137 434 S HN -0.016 nan 8.310 nan 0.000 0.457 435 P HA 0.057 nan 4.420 nan 0.000 0.261 435 P C -0.216 177.076 177.300 -0.012 0.000 1.183 435 P CA 0.489 63.588 63.100 -0.002 0.000 0.761 435 P CB 0.222 31.926 31.700 0.006 0.000 0.785 436 M N 2.094 121.688 119.600 -0.009 0.000 2.291 436 M HA 0.485 4.965 4.480 0.000 0.000 0.324 436 M C 0.675 176.966 176.300 -0.015 0.000 1.148 436 M CA -0.719 54.571 55.300 -0.016 0.000 1.104 436 M CB 1.086 33.681 32.600 -0.009 0.000 1.483 436 M HN 0.270 nan 8.290 nan 0.000 0.467 437 A N 1.261 124.064 122.820 -0.030 0.000 2.340 437 A HA 0.282 4.602 4.320 0.000 0.000 0.268 437 A C 0.910 178.496 177.584 0.003 0.000 1.100 437 A CA -0.541 51.481 52.037 -0.025 0.000 0.803 437 A CB 0.158 19.126 19.000 -0.054 0.000 1.043 437 A HN 0.933 nan 8.150 nan 0.000 0.488 438 I N 1.129 121.718 120.570 0.033 0.000 2.145 438 I HA -0.297 3.873 4.170 0.000 0.000 0.244 438 I C 2.597 178.724 176.117 0.016 0.000 1.075 438 I CA 2.619 63.940 61.300 0.034 0.000 1.332 438 I CB -0.219 37.812 38.000 0.051 0.000 1.033 438 I HN 0.865 nan 8.210 nan 0.000 0.410 439 E N 0.153 120.354 120.200 0.002 0.000 2.204 439 E HA -0.281 4.069 4.350 0.000 0.000 0.195 439 E C 1.890 178.478 176.600 -0.020 0.000 0.990 439 E CA 1.614 58.005 56.400 -0.014 0.000 0.821 439 E CB -0.670 29.011 29.700 -0.031 0.000 0.750 439 E HN 0.653 nan 8.360 nan 0.000 0.477 440 E N 0.890 121.076 120.200 -0.025 0.000 2.072 440 E HA -0.148 4.202 4.350 0.000 0.000 0.191 440 E C 2.350 178.956 176.600 0.010 0.000 0.985 440 E CA 1.494 57.876 56.400 -0.029 0.000 0.801 440 E CB 0.030 29.705 29.700 -0.042 0.000 0.750 440 E HN 0.399 nan 8.360 nan 0.000 0.452 441 Q N 0.067 119.878 119.800 0.019 0.000 1.993 441 Q HA -0.157 4.183 4.340 0.000 0.000 0.202 441 Q C 2.413 178.449 176.000 0.061 0.000 0.984 441 Q CA 1.674 57.499 55.803 0.037 0.000 0.837 441 Q CB -0.268 28.489 28.738 0.031 0.000 0.902 441 Q HN 0.186 nan 8.270 nan 0.000 0.423 442 V N 1.667 121.614 119.914 0.054 0.000 2.282 442 V HA -0.346 3.774 4.120 0.000 0.000 0.249 442 V C 2.424 178.591 176.094 0.122 0.000 1.057 442 V CA 1.960 64.308 62.300 0.079 0.000 1.032 442 V CB -1.291 30.561 31.823 0.049 0.000 0.645 442 V HN 0.437 nan 8.190 nan 0.000 0.447 443 A N 0.509 123.384 122.820 0.091 0.000 1.859 443 A HA -0.212 4.109 4.320 0.000 0.000 0.217 443 A C 2.492 180.270 177.584 0.324 0.000 1.198 443 A CA 2.801 54.938 52.037 0.167 0.000 0.629 443 A CB -0.982 18.067 19.000 0.081 0.000 0.830 443 A HN 0.738 nan 8.150 nan 0.000 0.446 444 V N -0.838 119.226 119.914 0.251 0.000 2.358 444 V HA -0.168 3.952 4.120 0.000 0.000 0.246 444 V C 2.127 178.305 176.094 0.141 0.000 1.047 444 V CA 1.934 64.355 62.300 0.201 0.000 1.035 444 V CB -0.781 31.128 31.823 0.142 0.000 0.658 444 V HN 0.449 nan 8.190 nan 0.000 0.452 445 I N -0.129 120.516 120.570 0.125 0.000 2.226 445 I HA -0.185 3.985 4.170 0.000 0.000 0.245 445 I C 2.568 178.735 176.117 0.085 0.000 1.100 445 I CA 2.368 63.716 61.300 0.080 0.000 1.374 445 I CB -1.778 36.261 38.000 0.064 0.000 1.057 445 I HN 0.511 nan 8.210 nan 0.000 0.413 446 Y N 2.489 122.811 120.300 0.036 0.000 2.030 446 Y HA -0.375 4.175 4.550 0.000 0.000 0.272 446 Y C 2.731 178.658 175.900 0.045 0.000 1.185 446 Y CA 2.478 60.607 58.100 0.047 0.000 1.120 446 Y CB -0.531 37.984 38.460 0.092 0.000 0.955 446 Y HN 0.144 nan 8.280 nan 0.000 0.495 447 A N 0.048 122.990 122.820 0.204 0.000 1.927 447 A HA -0.227 4.093 4.320 0.000 0.000 0.220 447 A C 2.468 180.007 177.584 -0.074 0.000 1.185 447 A CA 2.282 54.375 52.037 0.092 0.000 0.639 447 A CB -1.785 17.205 19.000 -0.017 0.000 0.820 447 A HN 0.678 nan 8.150 nan 0.000 0.451 448 G N -1.134 107.616 108.800 -0.084 0.000 2.404 448 G HA2 -0.012 3.948 3.960 0.000 0.000 0.213 448 G HA3 -0.012 3.948 3.960 0.000 0.000 0.213 448 G C 1.464 176.244 174.900 -0.201 0.000 1.189 448 G CA 0.964 45.985 45.100 -0.132 0.000 0.796 448 G HN 0.322 nan 8.290 nan 0.000 0.532 449 V N 1.017 120.815 119.914 -0.193 0.000 2.568 449 V HA -0.099 4.021 4.120 0.000 0.000 0.253 449 V C 2.698 178.599 176.094 -0.320 0.000 1.072 449 V CA 1.406 63.579 62.300 -0.211 0.000 1.084 449 V CB -0.376 31.356 31.823 -0.152 0.000 0.676 449 V HN 0.191 nan 8.190 nan 0.000 0.469 450 R N -0.349 119.852 120.500 -0.498 0.000 2.310 450 R HA 0.218 4.558 4.340 0.000 0.000 0.202 450 R C 1.820 177.634 176.300 -0.810 0.000 0.933 450 R CA 0.707 56.364 56.100 -0.737 0.000 1.054 450 R CB -0.318 29.310 30.300 -1.120 0.000 0.985 450 R HN 0.571 nan 8.270 nan 0.000 0.489 451 G N 0.341 108.812 108.800 -0.547 0.000 2.199 451 G HA2 -0.351 3.609 3.960 0.000 0.000 0.254 451 G HA3 -0.351 3.609 3.960 0.000 0.000 0.254 451 G C 0.553 175.232 174.900 -0.368 0.000 0.982 451 G CA 0.383 45.239 45.100 -0.407 0.000 0.632 451 G HN 0.330 nan 8.290 nan 0.000 0.529 452 Y N 0.369 120.568 120.300 -0.168 0.000 2.483 452 Y HA 0.178 4.728 4.550 0.000 0.000 0.291 452 Y C 2.633 178.416 175.900 -0.196 0.000 1.143 452 Y CA 1.324 59.333 58.100 -0.151 0.000 1.289 452 Y CB -0.285 38.099 38.460 -0.127 0.000 0.983 452 Y HN 0.408 nan 8.280 nan 0.000 0.556 453 L N -0.703 120.440 121.223 -0.134 0.000 2.640 453 L HA 0.090 4.430 4.340 0.000 0.000 0.230 453 L C 0.864 177.642 176.870 -0.153 0.000 1.123 453 L CA 0.030 54.748 54.840 -0.204 0.000 0.900 453 L CB -0.077 41.829 42.059 -0.254 0.000 1.146 453 L HN -0.031 nan 8.230 nan 0.000 0.484 454 D N 1.128 121.450 120.400 -0.131 0.000 2.354 454 D HA -0.139 4.501 4.640 0.000 0.000 0.216 454 D C 1.647 177.898 176.300 -0.081 0.000 0.970 454 D CA 1.200 55.135 54.000 -0.108 0.000 0.905 454 D CB 0.152 40.887 40.800 -0.109 0.000 0.903 454 D HN 0.271 nan 8.370 nan 0.000 0.508 455 K N -0.562 119.792 120.400 -0.076 0.000 2.374 455 K HA 0.132 4.452 4.320 0.000 0.000 0.202 455 K C 0.296 176.864 176.600 -0.054 0.000 1.040 455 K CA -0.455 55.800 56.287 -0.053 0.000 1.085 455 K CB 0.920 33.398 32.500 -0.037 0.000 0.873 455 K HN 0.009 nan 8.250 nan 0.000 0.539 456 L N 1.501 122.675 121.223 -0.082 0.000 2.456 456 L HA 0.171 4.511 4.340 0.000 0.000 0.257 456 L C -0.094 176.752 176.870 -0.040 0.000 1.162 456 L CA 0.061 54.859 54.840 -0.070 0.000 0.808 456 L CB 0.875 42.846 42.059 -0.147 0.000 1.136 456 L HN -0.035 nan 8.230 nan 0.000 0.466 457 E N 3.587 123.784 120.200 -0.006 0.000 2.229 457 E HA 0.185 4.535 4.350 0.000 0.000 0.283 457 E C -1.861 174.746 176.600 0.013 0.000 1.030 457 E CA -1.783 54.619 56.400 0.004 0.000 0.836 457 E CB 1.409 31.119 29.700 0.016 0.000 1.068 457 E HN 0.496 nan 8.360 nan 0.000 0.401 458 P HA -0.306 nan 4.420 nan 0.000 0.219 458 P C 1.215 178.535 177.300 0.034 0.000 1.161 458 P CA 2.060 65.166 63.100 0.011 0.000 0.909 458 P CB 0.070 31.777 31.700 0.011 0.000 0.793 459 S N -1.276 114.447 115.700 0.039 0.000 2.420 459 S HA -0.178 4.293 4.470 0.000 0.000 0.237 459 S C 1.728 176.377 174.600 0.082 0.000 1.023 459 S CA 1.139 59.370 58.200 0.052 0.000 0.991 459 S CB -0.826 62.400 63.200 0.043 0.000 0.792 459 S HN 0.123 nan 8.310 nan 0.000 0.488 460 K N 1.605 122.064 120.400 0.099 0.000 2.076 460 K HA 0.223 4.543 4.320 0.000 0.000 0.204 460 K C 2.072 178.804 176.600 0.219 0.000 1.051 460 K CA 0.754 57.149 56.287 0.180 0.000 0.949 460 K CB -0.806 31.812 32.500 0.197 0.000 0.726 460 K HN 0.449 nan 8.250 nan 0.000 0.443 461 I N 1.199 121.854 120.570 0.142 0.000 2.161 461 I HA -0.404 3.766 4.170 0.000 0.000 0.246 461 I C 2.143 178.370 176.117 0.184 0.000 1.048 461 I CA 1.803 63.190 61.300 0.144 0.000 1.314 461 I CB -1.003 37.034 38.000 0.062 0.000 1.014 461 I HN 0.170 nan 8.210 nan 0.000 0.418 462 T N 0.185 114.820 114.554 0.134 0.000 2.708 462 T HA -0.209 4.141 4.350 0.000 0.000 0.266 462 T C 1.988 176.768 174.700 0.132 0.000 1.037 462 T CA 1.485 63.650 62.100 0.108 0.000 1.146 462 T CB -0.158 68.755 68.868 0.075 0.000 0.865 462 T HN 0.295 nan 8.240 nan 0.000 0.435 463 K N -0.141 120.370 120.400 0.185 0.000 2.057 463 K HA -0.096 4.224 4.320 0.000 0.000 0.207 463 K C 2.088 178.834 176.600 0.244 0.000 1.049 463 K CA 1.252 57.680 56.287 0.236 0.000 0.931 463 K CB -0.299 32.389 32.500 0.313 0.000 0.714 463 K HN 0.327 nan 8.250 nan 0.000 0.440 464 F N 2.234 122.216 119.950 0.054 0.000 2.069 464 F HA -0.226 4.301 4.527 0.000 0.000 0.298 464 F C 2.245 177.967 175.800 -0.130 0.000 1.113 464 F CA 2.004 59.776 58.000 -0.379 0.000 1.214 464 F CB -0.444 38.309 39.000 -0.412 0.000 0.978 464 F HN 0.129 nan 8.300 nan 0.000 0.474 465 E N 0.123 120.256 120.200 -0.111 0.000 2.171 465 E HA -0.267 4.084 4.350 0.000 0.000 0.197 465 E C 1.838 178.356 176.600 -0.136 0.000 0.997 465 E CA 1.522 57.827 56.400 -0.158 0.000 0.810 465 E CB -0.334 29.381 29.700 0.023 0.000 0.738 465 E HN 0.555 nan 8.360 nan 0.000 0.467 466 N N 0.100 118.765 118.700 -0.059 0.000 2.216 466 N HA -0.097 4.644 4.740 0.000 0.000 0.183 466 N C 1.755 177.245 175.510 -0.032 0.000 1.017 466 N CA 0.994 54.029 53.050 -0.024 0.000 0.861 466 N CB -0.100 38.404 38.487 0.029 0.000 0.986 466 N HN 0.189 nan 8.380 nan 0.000 0.428 467 A N 1.335 124.148 122.820 -0.011 0.000 1.841 467 A HA -0.127 4.193 4.320 0.000 0.000 0.214 467 A C 2.063 179.627 177.584 -0.035 0.000 1.195 467 A CA 0.900 53.014 52.037 0.128 0.000 0.611 467 A CB -1.056 18.139 19.000 0.325 0.000 0.835 467 A HN 0.245 nan 8.150 nan 0.000 0.443 468 F N 0.252 119.814 119.950 -0.645 0.000 2.043 468 F HA -0.202 4.325 4.527 0.000 0.000 0.297 468 F C 1.901 177.324 175.800 -0.629 0.000 1.121 468 F CA 1.925 59.238 58.000 -1.144 0.000 1.199 468 F CB -0.548 37.639 39.000 -1.355 0.000 0.968 468 F HN 0.162 nan 8.300 nan 0.000 0.478 469 L N 0.128 121.091 121.223 -0.433 0.000 2.129 469 L HA -0.220 4.120 4.340 0.000 0.000 0.212 469 L C 2.548 179.223 176.870 -0.325 0.000 1.087 469 L CA 1.855 56.464 54.840 -0.384 0.000 0.757 469 L CB -1.415 40.544 42.059 -0.166 0.000 0.896 469 L HN 0.196 nan 8.230 nan 0.000 0.434 470 S N -1.767 113.802 115.700 -0.218 0.000 2.348 470 S HA -0.250 4.220 4.470 0.000 0.000 0.221 470 S C 1.872 176.404 174.600 -0.113 0.000 1.033 470 S CA 1.316 59.451 58.200 -0.109 0.000 1.010 470 S CB -0.425 62.771 63.200 -0.007 0.000 0.891 470 S HN 0.659 nan 8.310 nan 0.000 0.442 471 H N 2.153 121.053 119.070 -0.283 0.000 2.254 471 H HA -0.119 4.438 4.556 0.000 0.000 0.294 471 H C 2.201 177.367 175.328 -0.270 0.000 1.071 471 H CA 2.486 58.383 56.048 -0.251 0.000 1.228 471 H CB -0.939 28.571 29.762 -0.419 0.000 1.358 471 H HN 0.196 nan 8.280 nan 0.000 0.495 472 V N -0.592 118.902 119.914 -0.699 0.000 2.380 472 V HA -0.222 3.898 4.120 0.000 0.000 0.251 472 V C 2.566 178.470 176.094 -0.317 0.000 1.063 472 V CA 2.222 64.156 62.300 -0.610 0.000 1.055 472 V CB -1.008 30.346 31.823 -0.781 0.000 0.657 472 V HN 0.486 nan 8.190 nan 0.000 0.455 473 I N 1.389 121.796 120.570 -0.272 0.000 2.226 473 I HA -0.204 3.966 4.170 0.000 0.000 0.245 473 I C 2.932 178.973 176.117 -0.127 0.000 1.100 473 I CA 2.071 63.268 61.300 -0.171 0.000 1.374 473 I CB -0.429 37.484 38.000 -0.144 0.000 1.057 473 I HN 0.590 nan 8.210 nan 0.000 0.413 474 S N 0.060 115.693 115.700 -0.112 0.000 2.317 474 S HA -0.155 4.315 4.470 0.000 0.000 0.212 474 S C 1.935 176.481 174.600 -0.090 0.000 1.030 474 S CA 0.879 59.035 58.200 -0.073 0.000 0.970 474 S CB -0.303 62.881 63.200 -0.026 0.000 0.928 474 S HN 0.356 nan 8.310 nan 0.000 0.451 475 Q N 0.247 119.987 119.800 -0.101 0.000 1.858 475 Q HA -0.064 4.276 4.340 0.000 0.000 0.224 475 Q C 1.392 177.218 176.000 -0.289 0.000 0.980 475 Q CA 1.530 57.226 55.803 -0.179 0.000 0.868 475 Q CB -0.617 28.024 28.738 -0.161 0.000 0.920 475 Q HN 0.755 nan 8.270 nan 0.000 0.427 476 H N 1.693 120.585 119.070 -0.297 0.000 3.543 476 H HA -0.039 4.517 4.556 0.000 0.000 0.270 476 H C 1.086 176.297 175.328 -0.195 0.000 1.056 476 H CA 0.332 56.234 56.048 -0.245 0.000 1.232 476 H CB -0.716 28.855 29.762 -0.319 0.000 1.294 476 H HN 0.345 nan 8.280 nan 0.000 0.729 477 Q N -0.475 119.265 119.800 -0.100 0.000 2.561 477 Q HA -0.022 4.318 4.340 0.000 0.000 0.217 477 Q C 1.913 177.869 176.000 -0.073 0.000 0.980 477 Q CA 0.764 56.515 55.803 -0.087 0.000 0.927 477 Q CB 0.134 28.821 28.738 -0.084 0.000 0.980 477 Q HN 0.574 nan 8.270 nan 0.000 0.525 478 A N 1.200 123.975 122.820 -0.074 0.000 1.970 478 A HA 0.005 4.325 4.320 0.000 0.000 0.216 478 A C 1.929 179.485 177.584 -0.046 0.000 1.170 478 A CA 0.403 52.404 52.037 -0.060 0.000 0.645 478 A CB -0.256 18.704 19.000 -0.067 0.000 0.816 478 A HN 0.418 nan 8.150 nan 0.000 0.447 479 L N -0.572 120.627 121.223 -0.039 0.000 2.209 479 L HA 0.037 4.377 4.340 0.000 0.000 0.207 479 L C 2.227 179.059 176.870 -0.064 0.000 1.094 479 L CA 0.615 55.428 54.840 -0.045 0.000 0.790 479 L CB -0.133 41.901 42.059 -0.042 0.000 0.932 479 L HN 0.385 nan 8.230 nan 0.000 0.447 480 L N -0.930 120.250 121.223 -0.072 0.000 2.044 480 L HA -0.077 4.263 4.340 0.000 0.000 0.205 480 L C 2.553 179.389 176.870 -0.056 0.000 1.075 480 L CA 1.318 56.112 54.840 -0.076 0.000 0.747 480 L CB -1.113 40.890 42.059 -0.094 0.000 0.903 480 L HN 0.295 nan 8.230 nan 0.000 0.435 481 G N -0.505 108.264 108.800 -0.052 0.000 2.470 481 G HA2 -0.228 3.732 3.960 0.000 0.000 0.220 481 G HA3 -0.228 3.732 3.960 0.000 0.000 0.220 481 G C 1.745 176.626 174.900 -0.032 0.000 1.121 481 G CA 0.410 45.485 45.100 -0.040 0.000 0.766 481 G HN 0.218 nan 8.290 nan 0.000 0.553 482 K N -0.255 120.125 120.400 -0.034 0.000 2.067 482 K HA 0.183 4.503 4.320 0.000 0.000 0.203 482 K C 2.454 179.038 176.600 -0.025 0.000 1.048 482 K CA 0.258 56.528 56.287 -0.028 0.000 0.954 482 K CB -0.137 32.346 32.500 -0.029 0.000 0.737 482 K HN 0.289 nan 8.250 nan 0.000 0.444 483 I N 0.880 121.430 120.570 -0.033 0.000 2.179 483 I HA -0.315 3.856 4.170 0.000 0.000 0.242 483 I C 2.718 178.825 176.117 -0.018 0.000 1.088 483 I CA 1.173 62.455 61.300 -0.030 0.000 1.357 483 I CB -0.208 37.765 38.000 -0.045 0.000 1.051 483 I HN 0.202 nan 8.210 nan 0.000 0.409 484 R N 0.200 120.688 120.500 -0.019 0.000 2.070 484 R HA -0.166 4.174 4.340 0.000 0.000 0.233 484 R C 2.281 178.580 176.300 -0.002 0.000 1.137 484 R CA 2.220 58.316 56.100 -0.008 0.000 0.945 484 R CB -0.346 29.947 30.300 -0.012 0.000 0.845 484 R HN 0.229 nan 8.270 nan 0.000 0.430 485 T N 0.946 115.496 114.554 -0.007 0.000 2.612 485 T HA -0.107 4.244 4.350 0.000 0.000 0.259 485 T C 1.170 175.868 174.700 -0.004 0.000 1.065 485 T CA 1.647 63.744 62.100 -0.005 0.000 1.167 485 T CB -0.494 68.369 68.868 -0.009 0.000 0.863 485 T HN 0.318 nan 8.240 nan 0.000 0.407 486 D N 0.376 120.772 120.400 -0.007 0.000 2.203 486 D HA -0.044 4.596 4.640 0.000 0.000 0.199 486 D C 1.700 177.999 176.300 -0.002 0.000 0.997 486 D CA 1.549 55.547 54.000 -0.005 0.000 0.863 486 D CB -0.657 40.139 40.800 -0.006 0.000 0.928 486 D HN 0.601 nan 8.370 nan 0.000 0.458 487 G N -0.360 108.439 108.800 -0.002 0.000 2.184 487 G HA2 -0.341 3.619 3.960 0.000 0.000 0.264 487 G HA3 -0.341 3.619 3.960 0.000 0.000 0.264 487 G C 0.539 175.440 174.900 0.002 0.000 0.975 487 G CA 0.766 45.866 45.100 0.001 0.000 0.642 487 G HN 0.508 nan 8.290 nan 0.000 0.536 488 K N -0.475 119.926 120.400 0.001 0.000 2.349 488 K HA 0.788 5.108 4.320 0.000 0.000 0.243 488 K C -0.761 175.840 176.600 0.002 0.000 1.058 488 K CA -1.173 55.117 56.287 0.006 0.000 0.871 488 K CB 1.170 33.674 32.500 0.006 0.000 1.337 488 K HN 0.081 nan 8.250 nan 0.000 0.469 489 I N 2.768 123.344 120.570 0.010 0.000 2.428 489 I HA 0.099 4.269 4.170 0.000 0.000 0.279 489 I C 0.329 176.454 176.117 0.013 0.000 1.040 489 I CA -0.508 60.795 61.300 0.004 0.000 1.171 489 I CB 1.473 39.483 38.000 0.018 0.000 1.312 489 I HN 0.594 nan 8.210 nan 0.000 0.470 490 S N 3.547 119.249 115.700 0.003 0.000 2.617 490 S HA 0.130 4.600 4.470 0.000 0.000 0.255 490 S C 0.956 175.565 174.600 0.016 0.000 1.318 490 S CA -0.429 57.775 58.200 0.008 0.000 0.978 490 S CB 0.831 64.032 63.200 0.001 0.000 0.961 490 S HN 0.572 nan 8.310 nan 0.000 0.582 491 E N 0.327 120.538 120.200 0.019 0.000 2.152 491 E HA -0.043 4.307 4.350 0.000 0.000 0.192 491 E C 1.870 178.485 176.600 0.024 0.000 0.983 491 E CA 1.126 57.543 56.400 0.028 0.000 0.818 491 E CB -0.177 29.539 29.700 0.027 0.000 0.758 491 E HN 0.832 nan 8.360 nan 0.000 0.467 492 E N 0.162 120.369 120.200 0.013 0.000 2.112 492 E HA -0.057 4.293 4.350 0.000 0.000 0.190 492 E C 1.729 178.328 176.600 -0.002 0.000 0.979 492 E CA 0.746 57.152 56.400 0.009 0.000 0.814 492 E CB 0.107 29.811 29.700 0.005 0.000 0.762 492 E HN 0.069 nan 8.360 nan 0.000 0.460 493 S N 0.757 116.449 115.700 -0.014 0.000 2.368 493 S HA -0.198 4.272 4.470 0.000 0.000 0.225 493 S C 1.548 176.106 174.600 -0.069 0.000 1.030 493 S CA 1.564 59.739 58.200 -0.043 0.000 0.999 493 S CB -0.338 62.832 63.200 -0.049 0.000 0.844 493 S HN 0.396 nan 8.310 nan 0.000 0.459 494 D N 0.881 121.262 120.400 -0.032 0.000 2.182 494 D HA -0.046 4.594 4.640 0.000 0.000 0.201 494 D C 1.764 178.088 176.300 0.040 0.000 0.986 494 D CA 1.169 55.168 54.000 -0.001 0.000 0.847 494 D CB -0.140 40.714 40.800 0.090 0.000 0.942 494 D HN 0.366 nan 8.370 nan 0.000 0.467 495 A N -0.259 122.581 122.820 0.032 0.000 1.935 495 A HA 0.012 4.332 4.320 0.000 0.000 0.214 495 A C 2.074 179.669 177.584 0.018 0.000 1.178 495 A CA 1.108 53.170 52.037 0.043 0.000 0.640 495 A CB -0.363 18.659 19.000 0.038 0.000 0.825 495 A HN 0.067 nan 8.150 nan 0.000 0.447 496 K N 0.259 120.657 120.400 -0.004 0.000 2.097 496 K HA 0.059 4.379 4.320 0.000 0.000 0.205 496 K C 1.686 178.265 176.600 -0.036 0.000 1.050 496 K CA 1.187 57.471 56.287 -0.005 0.000 0.938 496 K CB -0.579 31.921 32.500 -0.001 0.000 0.718 496 K HN 0.453 nan 8.250 nan 0.000 0.442 497 L N 0.456 121.624 121.223 -0.091 0.000 2.027 497 L HA -0.151 4.189 4.340 0.000 0.000 0.206 497 L C 2.534 179.396 176.870 -0.013 0.000 1.074 497 L CA 1.607 56.359 54.840 -0.147 0.000 0.745 497 L CB -0.441 41.322 42.059 -0.494 0.000 0.898 497 L HN 0.257 nan 8.230 nan 0.000 0.433 498 K N 0.172 120.608 120.400 0.061 0.000 2.074 498 K HA -0.283 4.037 4.320 0.000 0.000 0.209 498 K C 1.985 178.520 176.600 -0.108 0.000 1.048 498 K CA 1.867 58.159 56.287 0.009 0.000 0.926 498 K CB -0.080 32.468 32.500 0.080 0.000 0.713 498 K HN 0.283 nan 8.250 nan 0.000 0.444 499 E N 0.353 120.537 120.200 -0.025 0.000 2.031 499 E HA -0.201 4.150 4.350 0.000 0.000 0.193 499 E C 2.082 178.701 176.600 0.031 0.000 0.994 499 E CA 1.687 58.087 56.400 -0.000 0.000 0.800 499 E CB -0.118 29.599 29.700 0.027 0.000 0.752 499 E HN 0.353 nan 8.360 nan 0.000 0.447 500 I N 0.628 121.221 120.570 0.039 0.000 2.099 500 I HA -0.288 3.882 4.170 0.000 0.000 0.239 500 I C 2.710 178.956 176.117 0.216 0.000 1.066 500 I CA 1.343 62.698 61.300 0.091 0.000 1.324 500 I CB -0.704 37.249 38.000 -0.079 0.000 1.037 500 I HN 0.134 nan 8.210 nan 0.000 0.401 501 V N 0.663 120.692 119.914 0.191 0.000 2.233 501 V HA -0.319 3.802 4.120 0.000 0.000 0.247 501 V C 2.556 178.705 176.094 0.091 0.000 1.050 501 V CA 2.818 65.212 62.300 0.156 0.000 1.010 501 V CB -1.537 30.272 31.823 -0.023 0.000 0.637 501 V HN 0.656 nan 8.190 nan 0.000 0.444 502 T N -0.730 113.763 114.554 -0.102 0.000 2.665 502 T HA -0.253 4.097 4.350 0.000 0.000 0.268 502 T C 1.872 176.603 174.700 0.051 0.000 1.035 502 T CA 2.067 64.119 62.100 -0.081 0.000 1.151 502 T CB -0.913 67.854 68.868 -0.170 0.000 0.862 502 T HN 0.595 nan 8.240 nan 0.000 0.438 503 N N 0.669 119.425 118.700 0.093 0.000 2.109 503 N HA 0.035 4.775 4.740 0.000 0.000 0.188 503 N C 1.571 177.194 175.510 0.187 0.000 1.034 503 N CA 1.078 54.201 53.050 0.120 0.000 0.846 503 N CB -0.613 37.944 38.487 0.116 0.000 1.010 503 N HN 0.442 nan 8.380 nan 0.000 0.425 504 F N 2.483 122.503 119.950 0.117 0.000 2.126 504 F HA -0.121 4.406 4.527 0.000 0.000 0.299 504 F C 2.276 178.215 175.800 0.232 0.000 1.096 504 F CA 0.938 59.025 58.000 0.144 0.000 1.255 504 F CB -0.357 38.766 39.000 0.205 0.000 0.997 504 F HN -0.023 nan 8.300 nan 0.000 0.479 505 L N 0.279 121.778 121.223 0.461 0.000 2.013 505 L HA -0.270 4.070 4.340 0.000 0.000 0.212 505 L C 2.551 179.534 176.870 0.188 0.000 1.073 505 L CA 2.188 57.221 54.840 0.320 0.000 0.753 505 L CB -1.446 40.679 42.059 0.111 0.000 0.890 505 L HN 0.354 nan 8.230 nan 0.000 0.432 506 A N -0.290 122.595 122.820 0.108 0.000 1.865 506 A HA -0.171 4.149 4.320 0.000 0.000 0.217 506 A C 2.347 179.943 177.584 0.021 0.000 1.191 506 A CA 1.823 53.892 52.037 0.053 0.000 0.623 506 A CB -1.380 17.641 19.000 0.036 0.000 0.826 506 A HN 0.523 nan 8.150 nan 0.000 0.444 507 G N -1.624 107.170 108.800 -0.010 0.000 2.442 507 G HA2 -0.237 3.723 3.960 0.000 0.000 0.219 507 G HA3 -0.237 3.723 3.960 0.000 0.000 0.219 507 G C 1.457 176.300 174.900 -0.094 0.000 1.141 507 G CA 1.142 46.197 45.100 -0.075 0.000 0.763 507 G HN 0.480 nan 8.290 nan 0.000 0.554 508 F N 1.160 120.957 119.950 -0.255 0.000 2.171 508 F HA 0.072 4.599 4.527 0.000 0.000 0.300 508 F C 2.153 177.908 175.800 -0.075 0.000 1.090 508 F CA 1.262 59.141 58.000 -0.201 0.000 1.293 508 F CB 0.207 39.151 39.000 -0.094 0.000 1.013 508 F HN 0.145 nan 8.300 nan 0.000 0.486 509 E N 0.945 121.153 120.200 0.013 0.000 2.311 509 E HA 0.226 4.576 4.350 0.000 0.000 0.198 509 E C 0.572 177.116 176.600 -0.093 0.000 1.115 509 E CA -0.185 56.173 56.400 -0.070 0.000 1.140 509 E CB -0.137 29.576 29.700 0.022 0.000 1.204 509 E HN 0.352 nan 8.360 nan 0.000 0.446 510 A N 0.000 122.748 122.820 -0.120 0.000 2.254 510 A HA 0.000 4.320 4.320 0.000 0.000 0.244 510 A CA 0.000 51.981 52.037 -0.092 0.000 0.836 510 A CB 0.000 18.946 19.000 -0.091 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486