REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1h8e_1_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 EVAAFAXXXX 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 2.926 123.328 120.400 0.004 0.000 2.358 20 D HA 0.333 4.973 4.640 0.000 0.000 0.258 20 D C 1.270 177.572 176.300 0.004 0.000 1.223 20 D CA 1.247 55.249 54.000 0.004 0.000 0.886 20 D CB 0.924 41.727 40.800 0.005 0.000 1.120 20 D HN 0.648 nan 8.370 nan 0.000 0.482 21 T N -0.627 113.929 114.554 0.003 0.000 3.228 21 T HA 0.053 4.404 4.350 0.000 0.000 0.278 21 T C 1.349 176.050 174.700 0.002 0.000 1.014 21 T CA 0.011 62.113 62.100 0.003 0.000 0.904 21 T CB -0.222 68.647 68.868 0.002 0.000 1.110 21 T HN 0.179 nan 8.240 nan 0.000 0.541 22 S N 0.374 116.075 115.700 0.002 0.000 2.522 22 S HA 0.105 4.575 4.470 0.000 0.000 0.227 22 S C 0.967 175.567 174.600 0.001 0.000 0.986 22 S CA -0.039 58.161 58.200 0.001 0.000 0.929 22 S CB -0.274 62.927 63.200 0.002 0.000 0.769 22 S HN 0.351 nan 8.310 nan 0.000 0.529 23 V N 3.531 123.448 119.914 0.004 0.000 2.843 23 V HA 0.208 4.328 4.120 0.000 0.000 0.366 23 V C -0.179 175.920 176.094 0.008 0.000 1.283 23 V CA -0.655 61.649 62.300 0.006 0.000 1.303 23 V CB -0.612 31.218 31.823 0.011 0.000 1.418 23 V HN 0.547 nan 8.190 nan 0.000 0.598 24 D N 0.002 120.403 120.400 0.003 0.000 2.361 24 D HA 0.070 4.710 4.640 0.000 0.000 0.239 24 D C 0.941 177.240 176.300 -0.002 0.000 1.200 24 D CA -0.276 53.726 54.000 0.003 0.000 0.915 24 D CB 1.122 41.921 40.800 -0.002 0.000 1.170 24 D HN 0.180 nan 8.370 nan 0.000 0.444 25 L N -0.082 121.138 121.223 -0.005 0.000 2.612 25 L HA 0.091 4.431 4.340 0.000 0.000 0.230 25 L C 1.684 178.524 176.870 -0.049 0.000 1.140 25 L CA 0.246 55.069 54.840 -0.027 0.000 0.896 25 L CB -0.408 41.631 42.059 -0.033 0.000 1.065 25 L HN 0.457 nan 8.230 nan 0.000 0.447 26 E N -0.157 120.022 120.200 -0.035 0.000 2.166 26 E HA -0.061 4.289 4.350 0.000 0.000 0.192 26 E C 1.350 177.929 176.600 -0.035 0.000 0.967 26 E CA 0.482 56.860 56.400 -0.037 0.000 0.840 26 E CB 0.419 30.104 29.700 -0.026 0.000 0.795 26 E HN 0.345 nan 8.360 nan 0.000 0.470 27 E N 0.250 120.432 120.200 -0.030 0.000 2.447 27 E HA 0.042 4.392 4.350 0.000 0.000 0.204 27 E C 0.674 177.252 176.600 -0.037 0.000 0.977 27 E CA 0.521 56.903 56.400 -0.030 0.000 0.950 27 E CB 1.068 30.755 29.700 -0.022 0.000 0.975 27 E HN 0.201 nan 8.360 nan 0.000 0.496 28 T N -2.130 112.402 114.554 -0.035 0.000 2.901 28 T HA 0.792 5.142 4.350 0.000 0.000 0.293 28 T C 0.292 174.970 174.700 -0.036 0.000 1.084 28 T CA -0.624 61.453 62.100 -0.039 0.000 1.008 28 T CB 2.546 71.401 68.868 -0.022 0.000 1.170 28 T HN 0.002 nan 8.240 nan 0.000 0.509 29 G N -0.027 108.752 108.800 -0.035 0.000 2.727 29 G HA2 0.711 4.671 3.960 0.000 0.000 0.289 29 G HA3 0.711 4.671 3.960 0.000 0.000 0.289 29 G C -1.662 173.255 174.900 0.028 0.000 1.418 29 G CA -1.170 43.927 45.100 -0.005 0.000 0.818 29 G HN 0.791 nan 8.290 nan 0.000 0.486 30 R N -0.522 120.027 120.500 0.083 0.000 2.628 30 R HA 0.498 4.838 4.340 0.000 0.000 0.288 30 R C -0.838 175.520 176.300 0.097 0.000 0.980 30 R CA -0.749 55.400 56.100 0.082 0.000 0.891 30 R CB 2.672 33.018 30.300 0.078 0.000 1.188 30 R HN 0.331 nan 8.270 nan 0.000 0.450 31 V N 5.093 125.066 119.914 0.099 0.000 2.540 31 V HA -0.055 4.066 4.120 0.000 0.000 0.297 31 V C 1.423 177.562 176.094 0.075 0.000 1.024 31 V CA 0.645 63.012 62.300 0.112 0.000 1.105 31 V CB 0.527 32.439 31.823 0.147 0.000 0.938 31 V HN 0.727 nan 8.190 nan 0.000 0.482 32 L N 3.974 125.239 121.223 0.070 0.000 2.168 32 L HA 0.151 4.491 4.340 0.000 0.000 0.203 32 L C 0.940 177.827 176.870 0.028 0.000 1.078 32 L CA 0.844 55.709 54.840 0.041 0.000 0.780 32 L CB 0.105 42.193 42.059 0.048 0.000 0.939 32 L HN 0.836 nan 8.230 nan 0.000 0.451 33 S N -0.980 114.739 115.700 0.032 0.000 2.550 33 S HA 0.670 5.140 4.470 0.000 0.000 0.270 33 S C -1.097 173.514 174.600 0.018 0.000 1.145 33 S CA -0.763 57.448 58.200 0.018 0.000 0.852 33 S CB 2.689 65.894 63.200 0.009 0.000 1.119 33 S HN 0.006 nan 8.310 nan 0.000 0.465 34 I N 0.299 120.868 120.570 -0.001 0.000 2.649 34 I HA 0.827 4.998 4.170 0.000 0.000 0.289 34 I C -0.584 175.513 176.117 -0.032 0.000 1.222 34 I CA 0.324 61.610 61.300 -0.022 0.000 1.046 34 I CB 1.530 39.505 38.000 -0.041 0.000 1.272 34 I HN 1.304 nan 8.210 nan 0.000 0.425 35 G N 4.646 113.423 108.800 -0.039 0.000 2.752 35 G HA2 0.442 4.403 3.960 0.000 0.000 0.298 35 G HA3 0.442 4.403 3.960 0.000 0.000 0.298 35 G C -1.243 173.632 174.900 -0.042 0.000 1.434 35 G CA -0.526 44.552 45.100 -0.037 0.000 1.004 35 G HN 0.685 nan 8.290 nan 0.000 0.560 36 D N 0.227 120.602 120.400 -0.042 0.000 2.708 36 D HA -0.194 4.446 4.640 0.000 0.000 0.236 36 D C 1.627 177.897 176.300 -0.051 0.000 1.146 36 D CA 2.671 56.646 54.000 -0.041 0.000 0.662 36 D CB -1.099 39.679 40.800 -0.037 0.000 1.059 36 D HN 2.182 nan 8.370 nan 0.000 0.428 37 G N -1.077 107.684 108.800 -0.065 0.000 2.184 37 G HA2 -0.302 3.658 3.960 0.000 0.000 0.264 37 G HA3 -0.302 3.658 3.960 0.000 0.000 0.264 37 G C 0.184 175.030 174.900 -0.089 0.000 0.975 37 G CA 0.345 45.396 45.100 -0.082 0.000 0.642 37 G HN 0.470 nan 8.290 nan 0.000 0.536 38 I N 1.098 121.627 120.570 -0.069 0.000 2.382 38 I HA 0.692 4.863 4.170 0.000 0.000 0.286 38 I C 0.470 176.571 176.117 -0.025 0.000 1.002 38 I CA -1.302 59.969 61.300 -0.049 0.000 1.135 38 I CB 1.042 39.017 38.000 -0.042 0.000 1.288 38 I HN 0.336 nan 8.210 nan 0.000 0.448 39 A N 7.710 130.538 122.820 0.015 0.000 2.276 39 A HA 0.711 5.031 4.320 0.000 0.000 0.316 39 A C -0.036 177.590 177.584 0.072 0.000 1.229 39 A CA -0.725 51.355 52.037 0.071 0.000 0.851 39 A CB 0.764 19.890 19.000 0.211 0.000 1.165 39 A HN 0.537 nan 8.150 nan 0.000 0.513 40 R N 1.990 122.524 120.500 0.056 0.000 2.207 40 R HA 0.452 4.792 4.340 0.000 0.000 0.334 40 R C -0.973 175.370 176.300 0.071 0.000 1.013 40 R CA -0.313 55.817 56.100 0.050 0.000 0.858 40 R CB 1.031 31.352 30.300 0.035 0.000 1.094 40 R HN 0.441 nan 8.270 nan 0.000 0.457 41 V N 3.337 123.290 119.914 0.064 0.000 2.513 41 V HA 0.187 4.307 4.120 0.000 0.000 0.299 41 V C -0.026 176.115 176.094 0.079 0.000 1.035 41 V CA -0.965 61.378 62.300 0.072 0.000 0.889 41 V CB 1.635 33.479 31.823 0.035 0.000 0.988 41 V HN 0.711 nan 8.190 nan 0.000 0.440 42 H N 2.906 121.980 119.070 0.005 0.000 2.548 42 H HA 0.668 5.224 4.556 0.000 0.000 0.331 42 H C 0.476 175.800 175.328 -0.007 0.000 1.093 42 H CA 1.305 57.353 56.048 0.000 0.000 1.367 42 H CB 1.066 30.829 29.762 0.003 0.000 1.455 42 H HN 1.084 nan 8.280 nan 0.000 0.519 43 G N 2.772 111.280 108.800 -0.487 0.000 2.466 43 G HA2 -0.203 3.757 3.960 0.000 0.000 0.218 43 G HA3 -0.203 3.757 3.960 0.000 0.000 0.218 43 G C -0.140 174.668 174.900 -0.153 0.000 1.237 43 G CA -0.442 44.481 45.100 -0.294 0.000 0.954 43 G HN 1.249 nan 8.290 nan 0.000 0.580 44 L N -0.437 120.727 121.223 -0.098 0.000 3.678 44 L HA -0.219 4.121 4.340 0.000 0.000 0.425 44 L C 2.315 179.144 176.870 -0.069 0.000 1.240 44 L CA 0.809 55.605 54.840 -0.073 0.000 0.876 44 L CB -0.883 41.135 42.059 -0.068 0.000 1.766 44 L HN 0.666 nan 8.230 nan 0.000 0.917 45 R N 0.323 120.777 120.500 -0.076 0.000 2.127 45 R HA -0.095 4.245 4.340 0.000 0.000 0.238 45 R C 1.316 177.590 176.300 -0.043 0.000 1.134 45 R CA 1.572 57.634 56.100 -0.064 0.000 0.975 45 R CB -0.258 30.004 30.300 -0.065 0.000 0.865 45 R HN 0.588 nan 8.270 nan 0.000 0.447 46 N N 0.059 118.737 118.700 -0.038 0.000 2.270 46 N HA 0.007 4.747 4.740 0.000 0.000 0.198 46 N C -0.013 175.483 175.510 -0.025 0.000 1.117 46 N CA -0.034 53.000 53.050 -0.027 0.000 0.845 46 N CB 0.523 38.996 38.487 -0.023 0.000 0.980 46 N HN -0.085 nan 8.380 nan 0.000 0.486 47 V N 1.399 121.296 119.914 -0.030 0.000 2.715 47 V HA 0.018 4.139 4.120 0.000 0.000 0.299 47 V C 0.202 176.287 176.094 -0.016 0.000 1.054 47 V CA -0.105 62.180 62.300 -0.025 0.000 1.077 47 V CB 0.879 32.682 31.823 -0.034 0.000 0.972 47 V HN 0.231 nan 8.190 nan 0.000 0.484 48 Q N 3.839 123.635 119.800 -0.008 0.000 2.260 48 Q HA 0.619 4.960 4.340 0.000 0.000 0.242 48 Q C 0.089 176.091 176.000 0.004 0.000 0.932 48 Q CA -0.311 55.492 55.803 -0.001 0.000 0.891 48 Q CB 1.306 30.046 28.738 0.004 0.000 1.222 48 Q HN 0.963 nan 8.270 nan 0.000 0.453 49 A N 1.919 124.744 122.820 0.007 0.000 2.520 49 A HA 0.056 4.376 4.320 0.000 0.000 0.245 49 A C 0.003 177.600 177.584 0.021 0.000 1.072 49 A CA 0.219 52.264 52.037 0.014 0.000 0.761 49 A CB -0.232 18.777 19.000 0.016 0.000 1.004 49 A HN 0.951 nan 8.150 nan 0.000 0.499 50 E N -0.580 119.638 120.200 0.030 0.000 3.181 50 E HA -0.194 4.156 4.350 0.000 0.000 0.293 50 E C 0.039 176.671 176.600 0.053 0.000 0.936 50 E CA 1.141 57.570 56.400 0.047 0.000 0.975 50 E CB -1.502 28.221 29.700 0.039 0.000 1.496 50 E HN 0.911 nan 8.360 nan 0.000 0.429 51 E N 0.692 120.917 120.200 0.041 0.000 2.313 51 E HA 0.370 4.720 4.350 0.000 0.000 0.272 51 E C -0.086 176.553 176.600 0.065 0.000 1.038 51 E CA -0.627 55.797 56.400 0.041 0.000 0.863 51 E CB 0.832 30.541 29.700 0.016 0.000 1.060 51 E HN 0.119 nan 8.360 nan 0.000 0.402 52 M N 4.976 124.625 119.600 0.081 0.000 2.228 52 M HA 0.172 4.652 4.480 0.000 0.000 0.351 52 M C -1.048 175.282 176.300 0.050 0.000 1.233 52 M CA -0.156 55.212 55.300 0.114 0.000 1.129 52 M CB 0.779 33.446 32.600 0.112 0.000 1.604 52 M HN 0.350 nan 8.290 nan 0.000 0.457 53 V N 1.599 121.530 119.914 0.027 0.000 3.074 53 V HA 0.737 4.858 4.120 0.000 0.000 0.314 53 V C -0.955 175.075 176.094 -0.108 0.000 1.117 53 V CA -0.846 61.409 62.300 -0.075 0.000 1.014 53 V CB 2.137 33.863 31.823 -0.163 0.000 1.057 53 V HN 0.873 nan 8.190 nan 0.000 0.438 54 E N 1.126 121.213 120.200 -0.189 0.000 2.238 54 E HA 0.583 4.933 4.350 0.000 0.000 0.267 54 E C -1.782 174.635 176.600 -0.305 0.000 0.887 54 E CA -0.463 55.856 56.400 -0.136 0.000 0.769 54 E CB 2.537 32.214 29.700 -0.037 0.000 1.187 54 E HN 0.647 nan 8.360 nan 0.000 0.416 55 F N 1.009 120.979 119.950 0.032 0.000 2.399 55 F HA 0.064 4.591 4.527 0.000 0.000 0.334 55 F C 1.800 177.614 175.800 0.023 0.000 1.097 55 F CA -0.261 57.754 58.000 0.025 0.000 1.076 55 F CB 1.542 40.556 39.000 0.024 0.000 1.162 55 F HN 0.504 nan 8.300 nan 0.000 0.495 56 S N -0.357 115.451 115.700 0.181 0.000 2.402 56 S HA -0.247 4.223 4.470 0.000 0.000 0.233 56 S C 1.796 176.463 174.600 0.111 0.000 1.030 56 S CA 1.437 59.702 58.200 0.108 0.000 1.003 56 S CB -0.862 62.390 63.200 0.087 0.000 0.813 56 S HN 0.690 nan 8.310 nan 0.000 0.477 57 S N 0.497 116.284 115.700 0.145 0.000 2.561 57 S HA 0.443 4.913 4.470 0.000 0.000 0.225 57 S C 1.667 176.326 174.600 0.099 0.000 0.977 57 S CA 0.496 58.755 58.200 0.099 0.000 0.926 57 S CB -0.383 62.858 63.200 0.069 0.000 0.769 57 S HN 1.262 nan 8.310 nan 0.000 0.533 58 G N 0.343 109.221 108.800 0.131 0.000 2.284 58 G HA2 -0.188 3.773 3.960 0.000 0.000 0.216 58 G HA3 -0.188 3.773 3.960 0.000 0.000 0.216 58 G C -0.039 174.949 174.900 0.147 0.000 1.009 58 G CA -0.109 45.059 45.100 0.113 0.000 0.625 58 G HN 0.359 nan 8.290 nan 0.000 0.501 59 L N 1.372 122.705 121.223 0.182 0.000 2.492 59 L HA 0.416 4.756 4.340 0.000 0.000 0.280 59 L C 0.986 178.055 176.870 0.332 0.000 1.240 59 L CA 0.697 55.662 54.840 0.208 0.000 0.831 59 L CB 0.337 42.464 42.059 0.113 0.000 1.100 59 L HN 0.342 nan 8.230 nan 0.000 0.505 60 K N 0.465 121.059 120.400 0.324 0.000 2.221 60 K HA 0.766 5.086 4.320 0.000 0.000 0.243 60 K C -0.109 176.754 176.600 0.438 0.000 0.968 60 K CA -0.727 55.777 56.287 0.361 0.000 0.846 60 K CB 1.933 34.619 32.500 0.309 0.000 1.141 60 K HN 0.763 nan 8.250 nan 0.000 0.434 61 G N 0.580 109.586 108.800 0.343 0.000 2.725 61 G HA2 0.633 4.593 3.960 0.000 0.000 0.288 61 G HA3 0.633 4.593 3.960 0.000 0.000 0.288 61 G C -1.752 173.187 174.900 0.065 0.000 1.399 61 G CA -0.726 44.461 45.100 0.145 0.000 0.859 61 G HN 0.488 nan 8.290 nan 0.000 0.479 62 M N 0.640 120.159 119.600 -0.135 0.000 2.395 62 M HA 0.526 5.006 4.480 0.000 0.000 0.307 62 M C -0.682 175.607 176.300 -0.019 0.000 1.091 62 M CA -0.568 54.731 55.300 -0.001 0.000 0.919 62 M CB 2.053 34.679 32.600 0.044 0.000 1.662 62 M HN 0.367 nan 8.290 nan 0.000 0.440 63 S N 5.179 120.887 115.700 0.014 0.000 2.416 63 S HA 0.304 4.774 4.470 0.000 0.000 0.302 63 S C 0.743 175.347 174.600 0.007 0.000 1.120 63 S CA -0.381 57.820 58.200 0.001 0.000 1.067 63 S CB -0.024 63.177 63.200 0.001 0.000 1.057 63 S HN 0.699 nan 8.310 nan 0.000 0.518 64 L N 2.436 123.657 121.223 -0.004 0.000 2.500 64 L HA 0.267 4.607 4.340 0.000 0.000 0.219 64 L C 0.133 177.006 176.870 0.005 0.000 1.057 64 L CA 0.295 55.137 54.840 0.004 0.000 0.854 64 L CB 0.056 42.108 42.059 -0.012 0.000 1.078 64 L HN 0.350 nan 8.230 nan 0.000 0.480 65 N N 1.062 119.760 118.700 -0.003 0.000 2.469 65 N HA 0.381 5.121 4.740 0.000 0.000 0.253 65 N C -1.045 174.464 175.510 -0.002 0.000 0.970 65 N CA -0.035 53.014 53.050 -0.001 0.000 0.940 65 N CB 1.130 39.614 38.487 -0.006 0.000 1.128 65 N HN 0.015 nan 8.380 nan 0.000 0.503 66 L N 2.233 123.456 121.223 -0.001 0.000 2.272 66 L HA 0.426 4.766 4.340 0.000 0.000 0.284 66 L C 0.325 177.192 176.870 -0.005 0.000 1.045 66 L CA -0.406 54.431 54.840 -0.005 0.000 0.842 66 L CB 0.527 42.582 42.059 -0.006 0.000 1.224 66 L HN 0.350 nan 8.230 nan 0.000 0.430 67 E N 3.322 123.518 120.200 -0.006 0.000 2.232 67 E HA 0.319 4.669 4.350 0.000 0.000 0.264 67 E C -1.673 174.922 176.600 -0.008 0.000 0.973 67 E CA -1.785 54.612 56.400 -0.004 0.000 0.849 67 E CB 1.502 31.201 29.700 -0.000 0.000 1.198 67 E HN 0.273 nan 8.360 nan 0.000 0.407 68 P HA -0.160 nan 4.420 nan 0.000 0.216 68 P C 0.285 177.579 177.300 -0.010 0.000 1.150 68 P CA 1.304 64.400 63.100 -0.007 0.000 0.837 68 P CB 0.152 31.851 31.700 -0.002 0.000 0.786 69 D N -2.018 118.382 120.400 0.001 0.000 2.479 69 D HA 0.078 4.718 4.640 0.000 0.000 0.218 69 D C -0.134 176.176 176.300 0.017 0.000 1.177 69 D CA -0.363 53.644 54.000 0.013 0.000 0.830 69 D CB -0.843 39.980 40.800 0.039 0.000 1.014 69 D HN 0.329 nan 8.370 nan 0.000 0.503 70 N N -1.681 117.019 118.700 -0.001 0.000 3.043 70 N HA 0.350 5.090 4.740 0.000 0.000 0.243 70 N C -2.033 173.474 175.510 -0.005 0.000 1.347 70 N CA -0.964 52.091 53.050 0.008 0.000 0.896 70 N CB 1.493 39.998 38.487 0.031 0.000 1.501 70 N HN -0.203 nan 8.380 nan 0.000 0.504 71 V N 0.392 120.304 119.914 -0.003 0.000 2.384 71 V HA 0.755 4.875 4.120 0.000 0.000 0.287 71 V C 0.707 176.805 176.094 0.007 0.000 1.020 71 V CA -0.552 61.744 62.300 -0.006 0.000 0.850 71 V CB 1.114 32.926 31.823 -0.019 0.000 0.987 71 V HN 0.880 nan 8.190 nan 0.000 0.436 72 G N 3.888 112.689 108.800 0.003 0.000 2.333 72 G HA2 0.508 4.468 3.960 0.000 0.000 0.290 72 G HA3 0.508 4.468 3.960 0.000 0.000 0.290 72 G C -0.671 174.229 174.900 -0.000 0.000 1.150 72 G CA -0.179 44.923 45.100 0.003 0.000 0.895 72 G HN 0.540 nan 8.290 nan 0.000 0.444 73 V N 3.809 123.734 119.914 0.019 0.000 2.448 73 V HA 0.388 4.508 4.120 0.000 0.000 0.295 73 V C 0.454 176.539 176.094 -0.015 0.000 1.025 73 V CA -0.806 61.508 62.300 0.023 0.000 0.859 73 V CB 1.565 33.458 31.823 0.116 0.000 0.988 73 V HN 0.779 nan 8.190 nan 0.000 0.431 74 V N 3.804 123.653 119.914 -0.109 0.000 2.546 74 V HA 0.620 4.740 4.120 0.000 0.000 0.284 74 V C -0.054 175.868 176.094 -0.286 0.000 1.050 74 V CA -0.476 61.706 62.300 -0.195 0.000 0.981 74 V CB 1.372 33.048 31.823 -0.245 0.000 0.990 74 V HN 0.483 nan 8.190 nan 0.000 0.474 75 V N 5.502 125.285 119.914 -0.219 0.000 2.406 75 V HA 0.328 4.448 4.120 0.000 0.000 0.272 75 V C 0.201 176.194 176.094 -0.168 0.000 1.043 75 V CA -0.112 62.077 62.300 -0.185 0.000 0.915 75 V CB 0.769 32.475 31.823 -0.195 0.000 0.988 75 V HN 0.832 nan 8.190 nan 0.000 0.466 76 F N 4.774 124.777 119.950 0.088 0.000 2.666 76 F HA 0.541 5.068 4.527 0.000 0.000 0.362 76 F C 1.217 177.049 175.800 0.054 0.000 1.190 76 F CA 0.596 58.645 58.000 0.082 0.000 1.328 76 F CB 0.043 39.102 39.000 0.098 0.000 1.682 76 F HN 0.767 nan 8.300 nan 0.000 0.623 77 G N 0.379 109.269 108.800 0.150 0.000 2.352 77 G HA2 -0.086 3.874 3.960 0.000 0.000 0.283 77 G HA3 -0.086 3.874 3.960 0.000 0.000 0.283 77 G C -1.651 173.260 174.900 0.018 0.000 1.308 77 G CA -1.210 43.944 45.100 0.090 0.000 0.892 77 G HN 0.075 nan 8.290 nan 0.000 0.504 78 N N 1.299 120.000 118.700 0.003 0.000 2.431 78 N HA 0.171 4.911 4.740 0.000 0.000 0.265 78 N C 0.975 176.441 175.510 -0.073 0.000 1.184 78 N CA 0.444 53.479 53.050 -0.024 0.000 0.943 78 N CB 1.301 39.781 38.487 -0.011 0.000 1.080 78 N HN 0.597 nan 8.380 nan 0.000 0.477 79 D N 3.467 123.810 120.400 -0.094 0.000 2.355 79 D HA -0.145 4.495 4.640 0.000 0.000 0.218 79 D C 1.346 177.573 176.300 -0.122 0.000 1.004 79 D CA 0.720 54.629 54.000 -0.151 0.000 0.880 79 D CB -0.099 40.617 40.800 -0.141 0.000 0.911 79 D HN 0.730 nan 8.370 nan 0.000 0.528 80 K N 0.761 121.115 120.400 -0.077 0.000 2.211 80 K HA -0.142 4.178 4.320 0.000 0.000 0.204 80 K C 1.665 178.233 176.600 -0.054 0.000 1.047 80 K CA 0.984 57.238 56.287 -0.054 0.000 0.935 80 K CB -0.375 32.105 32.500 -0.033 0.000 0.728 80 K HN 0.225 nan 8.250 nan 0.000 0.452 81 L N 1.110 122.293 121.223 -0.066 0.000 2.446 81 L HA 0.201 4.541 4.340 0.000 0.000 0.219 81 L C 0.957 177.791 176.870 -0.061 0.000 1.116 81 L CA -0.021 54.790 54.840 -0.048 0.000 0.844 81 L CB 0.032 42.071 42.059 -0.034 0.000 0.970 81 L HN 0.118 nan 8.230 nan 0.000 0.457 82 I N 0.672 121.169 120.570 -0.122 0.000 2.441 82 I HA 0.111 4.282 4.170 0.000 0.000 0.287 82 I C 0.067 176.151 176.117 -0.055 0.000 1.049 82 I CA 0.155 61.377 61.300 -0.130 0.000 1.381 82 I CB 0.567 38.369 38.000 -0.331 0.000 1.409 82 I HN 0.045 nan 8.210 nan 0.000 0.523 83 K N 5.193 125.594 120.400 0.000 0.000 2.435 83 K HA 0.318 4.638 4.320 0.000 0.000 0.251 83 K C -0.676 175.943 176.600 0.032 0.000 0.954 83 K CA -0.957 55.336 56.287 0.010 0.000 0.820 83 K CB 2.252 34.759 32.500 0.012 0.000 1.292 83 K HN 0.534 nan 8.250 nan 0.000 0.436 84 E N 0.357 120.570 120.200 0.021 0.000 2.529 84 E HA -0.063 4.287 4.350 0.000 0.000 0.259 84 E C 0.550 177.168 176.600 0.030 0.000 0.966 84 E CA 1.470 57.885 56.400 0.026 0.000 0.937 84 E CB 0.071 29.778 29.700 0.011 0.000 0.923 84 E HN 0.795 nan 8.360 nan 0.000 0.468 85 G N 4.152 112.975 108.800 0.039 0.000 2.241 85 G HA2 -0.232 3.728 3.960 0.000 0.000 0.244 85 G HA3 -0.232 3.728 3.960 0.000 0.000 0.244 85 G C -0.048 174.884 174.900 0.053 0.000 0.998 85 G CA 0.129 45.251 45.100 0.035 0.000 0.621 85 G HN 0.663 nan 8.290 nan 0.000 0.519 86 D N 1.052 121.498 120.400 0.077 0.000 2.419 86 D HA 0.319 4.959 4.640 0.000 0.000 0.236 86 D C 1.182 177.534 176.300 0.087 0.000 1.165 86 D CA 0.039 54.097 54.000 0.096 0.000 0.882 86 D CB 0.464 41.355 40.800 0.153 0.000 1.201 86 D HN 0.145 nan 8.370 nan 0.000 0.443 87 I N 1.438 122.047 120.570 0.064 0.000 2.474 87 I HA 0.111 4.281 4.170 0.000 0.000 0.287 87 I C 0.325 176.427 176.117 -0.025 0.000 1.048 87 I CA -0.349 60.965 61.300 0.024 0.000 1.383 87 I CB 0.563 38.572 38.000 0.014 0.000 1.412 87 I HN -0.030 nan 8.210 nan 0.000 0.531 88 V N 7.289 127.147 119.914 -0.093 0.000 2.540 88 V HA 0.468 4.588 4.120 0.000 0.000 0.302 88 V C 0.020 176.008 176.094 -0.177 0.000 1.035 88 V CA -0.933 61.212 62.300 -0.257 0.000 0.873 88 V CB 2.126 33.747 31.823 -0.337 0.000 0.992 88 V HN 0.662 nan 8.190 nan 0.000 0.428 89 K N 3.440 123.731 120.400 -0.182 0.000 2.328 89 K HA 0.671 4.992 4.320 0.000 0.000 0.246 89 K C -0.602 175.937 176.600 -0.101 0.000 0.955 89 K CA -0.993 55.229 56.287 -0.107 0.000 0.817 89 K CB 2.605 35.065 32.500 -0.067 0.000 1.208 89 K HN 0.526 nan 8.250 nan 0.000 0.432 90 R N 0.262 120.723 120.500 -0.066 0.000 2.641 90 R HA 0.067 4.408 4.340 0.000 0.000 0.269 90 R C 1.051 177.333 176.300 -0.031 0.000 1.074 90 R CA 0.134 56.205 56.100 -0.047 0.000 1.133 90 R CB 0.451 30.731 30.300 -0.034 0.000 1.029 90 R HN 0.835 nan 8.270 nan 0.000 0.488 91 T N -2.673 111.871 114.554 -0.018 0.000 2.990 91 T HA 0.172 4.522 4.350 0.000 0.000 0.249 91 T C 1.371 176.069 174.700 -0.003 0.000 1.039 91 T CA 0.328 62.424 62.100 -0.005 0.000 1.036 91 T CB 0.552 69.424 68.868 0.007 0.000 0.994 91 T HN 0.809 nan 8.240 nan 0.000 0.489 92 G N 1.495 110.292 108.800 -0.005 0.000 2.179 92 G HA2 0.003 3.963 3.960 0.000 0.000 0.260 92 G HA3 0.003 3.963 3.960 0.000 0.000 0.260 92 G C 0.197 175.099 174.900 0.003 0.000 0.977 92 G CA -0.049 45.049 45.100 -0.003 0.000 0.641 92 G HN 1.317 nan 8.290 nan 0.000 0.533 93 A N 0.647 123.473 122.820 0.009 0.000 2.331 93 A HA 0.764 5.084 4.320 0.000 0.000 0.320 93 A C 0.432 178.029 177.584 0.022 0.000 1.138 93 A CA -0.750 51.295 52.037 0.013 0.000 0.790 93 A CB 0.941 19.948 19.000 0.012 0.000 1.206 93 A HN 0.541 nan 8.150 nan 0.000 0.470 94 I N 2.320 122.901 120.570 0.019 0.000 2.752 94 I HA -0.009 4.161 4.170 0.000 0.000 0.287 94 I C 0.728 176.864 176.117 0.031 0.000 1.188 94 I CA 0.249 61.564 61.300 0.026 0.000 1.427 94 I CB 0.412 38.422 38.000 0.016 0.000 1.365 94 I HN 0.379 nan 8.210 nan 0.000 0.585 95 V N 6.431 126.376 119.914 0.051 0.000 2.681 95 V HA -0.076 4.044 4.120 0.000 0.000 0.306 95 V C 0.204 176.301 176.094 0.005 0.000 1.077 95 V CA 0.416 62.743 62.300 0.045 0.000 1.224 95 V CB -0.111 31.763 31.823 0.085 0.000 0.879 95 V HN 0.969 nan 8.190 nan 0.000 0.494 96 D N 3.210 123.603 120.400 -0.013 0.000 2.626 96 D HA 0.726 5.366 4.640 0.000 0.000 0.278 96 D C -0.709 175.568 176.300 -0.038 0.000 1.211 96 D CA -0.568 53.420 54.000 -0.020 0.000 0.903 96 D CB 2.057 42.851 40.800 -0.010 0.000 1.408 96 D HN 0.536 nan 8.370 nan 0.000 0.454 97 V N -5.193 114.701 119.914 -0.034 0.000 3.130 97 V HA 0.783 4.903 4.120 0.000 0.000 0.310 97 V C -2.863 173.205 176.094 -0.042 0.000 1.158 97 V CA -2.337 59.937 62.300 -0.043 0.000 1.029 97 V CB 1.852 33.650 31.823 -0.042 0.000 1.057 97 V HN 0.610 nan 8.190 nan 0.000 0.436 98 P HA 0.350 nan 4.420 nan 0.000 0.271 98 P C -0.444 176.800 177.300 -0.093 0.000 1.216 98 P CA 0.203 63.262 63.100 -0.068 0.000 0.771 98 P CB 1.322 32.983 31.700 -0.064 0.000 0.864 99 V N -0.648 119.178 119.914 -0.147 0.000 3.141 99 V HA 1.014 5.134 4.120 0.000 0.000 0.312 99 V C -0.041 175.755 176.094 -0.498 0.000 1.157 99 V CA -0.282 61.873 62.300 -0.242 0.000 1.041 99 V CB 1.330 33.053 31.823 -0.167 0.000 1.071 99 V HN 0.991 nan 8.190 nan 0.000 0.441 100 G N 0.559 108.834 108.800 -0.875 0.000 2.408 100 G HA2 -0.024 3.936 3.960 0.000 0.000 0.682 100 G HA3 -0.024 3.936 3.960 0.000 0.000 0.682 100 G C -0.108 174.380 174.900 -0.686 0.000 1.303 100 G CA 0.008 44.297 45.100 -1.352 0.000 0.966 100 G HN 0.958 nan 8.290 nan 0.000 0.560 101 E N -0.040 119.856 120.200 -0.507 0.000 2.265 101 E HA -0.109 4.241 4.350 0.000 0.000 0.196 101 E C 1.963 178.527 176.600 -0.061 0.000 0.996 101 E CA 1.475 57.796 56.400 -0.132 0.000 0.832 101 E CB 0.082 29.763 29.700 -0.033 0.000 0.756 101 E HN 0.569 nan 8.360 nan 0.000 0.491 102 E N 0.648 120.781 120.200 -0.112 0.000 2.265 102 E HA -0.109 4.241 4.350 0.000 0.000 0.196 102 E C 1.799 178.381 176.600 -0.031 0.000 0.996 102 E CA 0.519 56.884 56.400 -0.058 0.000 0.832 102 E CB -0.062 29.594 29.700 -0.073 0.000 0.756 102 E HN 0.246 nan 8.360 nan 0.000 0.491 103 L N 0.143 121.343 121.223 -0.038 0.000 2.395 103 L HA 0.027 4.367 4.340 0.000 0.000 0.218 103 L C 0.454 177.355 176.870 0.052 0.000 1.130 103 L CA -0.096 54.746 54.840 0.003 0.000 0.826 103 L CB -0.169 41.889 42.059 -0.002 0.000 0.941 103 L HN 0.094 nan 8.230 nan 0.000 0.451 104 L N 0.423 121.700 121.223 0.089 0.000 2.540 104 L HA 0.059 4.399 4.340 0.000 0.000 0.276 104 L C 1.414 178.328 176.870 0.074 0.000 1.212 104 L CA 0.769 55.684 54.840 0.125 0.000 0.893 104 L CB 0.033 42.206 42.059 0.190 0.000 1.138 104 L HN 0.359 nan 8.230 nan 0.000 0.491 105 G N 1.818 110.647 108.800 0.047 0.000 2.179 105 G HA2 -0.212 3.748 3.960 0.000 0.000 0.260 105 G HA3 -0.212 3.748 3.960 0.000 0.000 0.260 105 G C 0.311 175.215 174.900 0.005 0.000 0.977 105 G CA -0.306 44.800 45.100 0.010 0.000 0.641 105 G HN 0.489 nan 8.290 nan 0.000 0.533 106 R N -0.525 119.986 120.500 0.018 0.000 2.828 106 R HA 0.749 5.089 4.340 0.000 0.000 0.264 106 R C -0.372 175.938 176.300 0.016 0.000 1.022 106 R CA -0.789 55.318 56.100 0.012 0.000 1.021 106 R CB 1.549 31.856 30.300 0.012 0.000 1.163 106 R HN 0.265 nan 8.270 nan 0.000 0.494 107 V N 1.927 121.849 119.914 0.013 0.000 2.378 107 V HA 0.413 4.533 4.120 0.000 0.000 0.288 107 V C 0.129 176.236 176.094 0.021 0.000 1.016 107 V CA -0.795 61.519 62.300 0.022 0.000 0.840 107 V CB 1.441 33.276 31.823 0.019 0.000 0.994 107 V HN 0.612 nan 8.190 nan 0.000 0.431 108 V N 1.313 121.242 119.914 0.025 0.000 3.046 108 V HA 0.849 4.969 4.120 0.000 0.000 0.316 108 V C -0.376 175.730 176.094 0.020 0.000 1.104 108 V CA -0.805 61.505 62.300 0.017 0.000 1.006 108 V CB 2.178 34.005 31.823 0.008 0.000 1.058 108 V HN 0.785 nan 8.190 nan 0.000 0.440 109 D N 1.867 122.274 120.400 0.012 0.000 2.478 109 D HA 0.493 5.133 4.640 0.000 0.000 0.274 109 D C 1.203 177.502 176.300 -0.000 0.000 1.234 109 D CA 0.031 54.039 54.000 0.014 0.000 1.069 109 D CB 0.867 41.677 40.800 0.017 0.000 1.113 109 D HN 0.846 nan 8.370 nan 0.000 0.571 110 A N -0.824 121.993 122.820 -0.005 0.000 2.070 110 A HA -0.042 4.278 4.320 0.000 0.000 0.220 110 A C 2.121 179.656 177.584 -0.082 0.000 1.159 110 A CA 0.908 52.927 52.037 -0.030 0.000 0.656 110 A CB -0.833 18.156 19.000 -0.017 0.000 0.800 110 A HN 0.516 nan 8.150 nan 0.000 0.453 111 L N -1.782 119.385 121.223 -0.092 0.000 2.607 111 L HA 0.282 4.622 4.340 0.000 0.000 0.228 111 L C 1.572 178.400 176.870 -0.070 0.000 1.123 111 L CA 0.525 55.291 54.840 -0.124 0.000 0.890 111 L CB 0.100 42.076 42.059 -0.138 0.000 1.103 111 L HN 0.514 nan 8.230 nan 0.000 0.468 112 G N -0.339 108.436 108.800 -0.042 0.000 2.157 112 G HA2 -0.237 3.723 3.960 0.000 0.000 0.239 112 G HA3 -0.237 3.723 3.960 0.000 0.000 0.239 112 G C 0.047 174.935 174.900 -0.021 0.000 0.982 112 G CA -0.407 44.676 45.100 -0.029 0.000 0.650 112 G HN 0.330 nan 8.290 nan 0.000 0.527 113 N N 1.018 119.708 118.700 -0.015 0.000 2.530 113 N HA 0.531 5.271 4.740 0.000 0.000 0.273 113 N C 0.629 176.139 175.510 -0.000 0.000 1.173 113 N CA 0.627 53.674 53.050 -0.006 0.000 0.967 113 N CB 1.288 39.775 38.487 0.001 0.000 1.109 113 N HN 0.702 nan 8.380 nan 0.000 0.453 114 A N 1.718 124.539 122.820 0.001 0.000 2.440 114 A HA 0.301 4.621 4.320 0.000 0.000 0.251 114 A C 1.261 178.850 177.584 0.008 0.000 1.089 114 A CA -0.243 51.797 52.037 0.004 0.000 0.779 114 A CB -0.362 18.639 19.000 0.001 0.000 1.022 114 A HN 0.813 nan 8.150 nan 0.000 0.492 115 I N -1.030 119.547 120.570 0.011 0.000 4.225 115 I HA 0.241 4.411 4.170 0.000 0.000 0.327 115 I C 0.203 176.326 176.117 0.011 0.000 1.422 115 I CA -0.015 61.293 61.300 0.013 0.000 1.150 115 I CB 0.457 38.468 38.000 0.019 0.000 1.192 115 I HN 0.461 nan 8.210 nan 0.000 0.440 116 D N 1.322 121.727 120.400 0.008 0.000 2.328 116 D HA 0.176 4.816 4.640 0.000 0.000 0.221 116 D C 1.650 177.952 176.300 0.002 0.000 1.072 116 D CA 0.521 54.524 54.000 0.004 0.000 0.850 116 D CB 0.195 40.996 40.800 0.002 0.000 0.922 116 D HN 0.461 nan 8.370 nan 0.000 0.516 117 G N 0.876 109.678 108.800 0.004 0.000 2.189 117 G HA2 -0.386 3.574 3.960 0.000 0.000 0.267 117 G HA3 -0.386 3.574 3.960 0.000 0.000 0.267 117 G C 0.795 175.696 174.900 0.001 0.000 0.975 117 G CA 0.477 45.579 45.100 0.003 0.000 0.644 117 G HN 0.485 nan 8.290 nan 0.000 0.537 118 K N 0.623 121.023 120.400 0.001 0.000 2.446 118 K HA 0.481 4.802 4.320 0.000 0.000 0.203 118 K C 1.279 177.879 176.600 0.000 0.000 1.027 118 K CA 0.298 56.585 56.287 -0.000 0.000 1.166 118 K CB 0.367 32.867 32.500 -0.001 0.000 0.869 118 K HN 1.440 nan 8.250 nan 0.000 0.504 119 G N 2.366 111.166 108.800 0.001 0.000 2.756 119 G HA2 -0.185 3.775 3.960 0.000 0.000 0.678 119 G HA3 -0.185 3.775 3.960 0.000 0.000 0.678 119 G C -2.694 172.205 174.900 -0.001 0.000 1.349 119 G CA -1.359 43.741 45.100 0.000 0.000 0.847 119 G HN -0.004 nan 8.290 nan 0.000 0.548 120 P HA 0.253 nan 4.420 nan 0.000 0.265 120 P C 0.563 177.858 177.300 -0.009 0.000 1.187 120 P CA -0.161 62.936 63.100 -0.005 0.000 0.766 120 P CB 0.325 32.022 31.700 -0.005 0.000 0.820 121 I N 1.936 122.498 120.570 -0.013 0.000 2.441 121 I HA 0.170 4.341 4.170 0.000 0.000 0.287 121 I C 1.375 177.476 176.117 -0.026 0.000 1.049 121 I CA 0.256 61.544 61.300 -0.021 0.000 1.381 121 I CB 0.772 38.756 38.000 -0.026 0.000 1.409 121 I HN 0.460 nan 8.210 nan 0.000 0.523 122 G N 4.684 113.466 108.800 -0.029 0.000 4.198 122 G HA2 0.245 4.205 3.960 0.000 0.000 0.282 122 G HA3 0.245 4.205 3.960 0.000 0.000 0.282 122 G C 0.462 175.333 174.900 -0.048 0.000 1.262 122 G CA -0.301 44.780 45.100 -0.032 0.000 1.473 122 G HN 0.695 nan 8.290 nan 0.000 0.624 123 S N -0.408 115.254 115.700 -0.062 0.000 2.592 123 S HA 0.347 4.817 4.470 0.000 0.000 0.271 123 S C 0.766 175.319 174.600 -0.077 0.000 1.326 123 S CA -0.479 57.665 58.200 -0.094 0.000 1.024 123 S CB 2.079 65.207 63.200 -0.119 0.000 0.921 123 S HN 0.323 nan 8.310 nan 0.000 0.527 124 K N 0.584 120.932 120.400 -0.088 0.000 2.358 124 K HA 0.427 4.747 4.320 0.000 0.000 0.200 124 K C 0.232 176.799 176.600 -0.055 0.000 1.030 124 K CA 0.141 56.392 56.287 -0.059 0.000 1.097 124 K CB 0.824 33.295 32.500 -0.047 0.000 0.862 124 K HN 0.714 nan 8.250 nan 0.000 0.534 125 A N 1.232 124.004 122.820 -0.081 0.000 2.527 125 A HA 0.735 5.055 4.320 0.000 0.000 0.293 125 A C -1.043 176.504 177.584 -0.062 0.000 1.117 125 A CA -0.827 51.176 52.037 -0.057 0.000 0.723 125 A CB 1.394 20.369 19.000 -0.041 0.000 1.313 125 A HN 0.078 nan 8.150 nan 0.000 0.411 126 R N -0.402 120.077 120.500 -0.035 0.000 2.867 126 R HA 0.785 5.125 4.340 0.000 0.000 0.268 126 R C -0.802 175.490 176.300 -0.014 0.000 1.014 126 R CA -0.862 55.219 56.100 -0.032 0.000 0.946 126 R CB 2.625 32.910 30.300 -0.026 0.000 1.208 126 R HN 0.781 nan 8.270 nan 0.000 0.477 127 R N 0.814 121.308 120.500 -0.011 0.000 2.626 127 R HA 0.321 4.662 4.340 0.000 0.000 0.274 127 R C -1.001 175.300 176.300 0.002 0.000 1.031 127 R CA -0.778 55.325 56.100 0.005 0.000 0.898 127 R CB 1.808 32.120 30.300 0.019 0.000 1.222 127 R HN 0.542 nan 8.270 nan 0.000 0.455 128 R N 1.561 122.064 120.500 0.004 0.000 2.623 128 R HA 0.002 4.342 4.340 0.000 0.000 0.271 128 R C 1.437 177.737 176.300 -0.000 0.000 1.043 128 R CA 0.324 56.424 56.100 -0.001 0.000 1.083 128 R CB 0.770 31.069 30.300 -0.001 0.000 0.974 128 R HN 0.565 nan 8.270 nan 0.000 0.436 129 V N 0.501 120.408 119.914 -0.011 0.000 3.041 129 V HA 0.081 4.201 4.120 0.000 0.000 0.260 129 V C 1.154 177.228 176.094 -0.035 0.000 1.105 129 V CA 1.735 64.035 62.300 -0.001 0.000 1.125 129 V CB 0.064 31.885 31.823 -0.003 0.000 0.730 129 V HN 0.854 nan 8.190 nan 0.000 0.479 130 G N 0.307 109.064 108.800 -0.072 0.000 3.605 130 G HA2 0.402 4.362 3.960 0.000 0.000 0.277 130 G HA3 0.402 4.362 3.960 0.000 0.000 0.277 130 G C 0.291 175.157 174.900 -0.057 0.000 1.093 130 G CA -0.493 44.537 45.100 -0.117 0.000 0.821 130 G HN 0.459 nan 8.290 nan 0.000 0.532 131 L N 0.654 121.866 121.223 -0.019 0.000 2.506 131 L HA 0.134 4.474 4.340 0.000 0.000 0.281 131 L C 0.983 177.853 176.870 0.000 0.000 1.228 131 L CA 0.060 54.899 54.840 -0.002 0.000 0.850 131 L CB 0.658 42.724 42.059 0.012 0.000 1.110 131 L HN 0.056 nan 8.230 nan 0.000 0.496 132 K N 2.086 122.490 120.400 0.007 0.000 2.270 132 K HA 0.396 4.716 4.320 0.000 0.000 0.276 132 K C -0.120 176.486 176.600 0.010 0.000 1.023 132 K CA -0.551 55.744 56.287 0.013 0.000 0.955 132 K CB 1.033 33.545 32.500 0.020 0.000 0.975 132 K HN 0.678 nan 8.250 nan 0.000 0.471 133 A N 5.174 128.000 122.820 0.011 0.000 2.466 133 A HA 0.235 4.556 4.320 0.000 0.000 0.238 133 A C -2.132 175.441 177.584 -0.017 0.000 1.074 133 A CA -1.055 50.984 52.037 0.002 0.000 0.774 133 A CB -0.530 18.473 19.000 0.005 0.000 1.015 133 A HN 0.611 nan 8.150 nan 0.000 0.498 134 P HA 0.183 nan 4.420 nan 0.000 0.267 134 P C 0.648 177.901 177.300 -0.079 0.000 1.201 134 P CA 0.649 63.695 63.100 -0.089 0.000 0.775 134 P CB 0.349 31.965 31.700 -0.140 0.000 0.854 135 G N 0.840 109.582 108.800 -0.096 0.000 2.510 135 G HA2 0.232 4.192 3.960 0.000 0.000 0.280 135 G HA3 0.232 4.192 3.960 0.000 0.000 0.280 135 G C 1.052 175.902 174.900 -0.084 0.000 1.386 135 G CA -0.702 44.358 45.100 -0.068 0.000 1.047 135 G HN 0.408 nan 8.290 nan 0.000 0.527 136 I N -0.007 120.530 120.570 -0.056 0.000 2.179 136 I HA -0.135 4.035 4.170 0.000 0.000 0.242 136 I C 2.550 178.627 176.117 -0.066 0.000 1.088 136 I CA 0.657 61.928 61.300 -0.048 0.000 1.357 136 I CB -0.203 37.783 38.000 -0.023 0.000 1.051 136 I HN 0.255 nan 8.210 nan 0.000 0.409 137 I N 1.104 121.635 120.570 -0.065 0.000 2.163 137 I HA -0.177 3.994 4.170 0.000 0.000 0.243 137 I C -0.221 175.818 176.117 -0.130 0.000 1.085 137 I CA 1.856 63.124 61.300 -0.053 0.000 1.347 137 I CB -2.890 35.112 38.000 0.003 0.000 1.044 137 I HN 0.177 nan 8.210 nan 0.000 0.408 138 P HA -0.057 nan 4.420 nan 0.000 0.236 138 P C 0.356 177.417 177.300 -0.399 0.000 1.172 138 P CA 0.972 63.578 63.100 -0.823 0.000 0.759 138 P CB 0.047 30.937 31.700 -1.349 0.000 0.843 139 R N -0.531 119.853 120.500 -0.193 0.000 2.691 139 R HA 0.726 5.066 4.340 0.000 0.000 0.259 139 R C -0.222 176.057 176.300 -0.034 0.000 1.048 139 R CA -0.944 55.098 56.100 -0.097 0.000 1.086 139 R CB 1.454 31.710 30.300 -0.074 0.000 1.166 139 R HN -0.014 nan 8.270 nan 0.000 0.526 140 I N -0.552 120.011 120.570 -0.010 0.000 2.865 140 I HA 0.250 4.420 4.170 0.000 0.000 0.302 140 I C -0.621 175.499 176.117 0.005 0.000 1.140 140 I CA -0.609 60.695 61.300 0.006 0.000 1.021 140 I CB 2.544 40.557 38.000 0.022 0.000 1.233 140 I HN 0.569 nan 8.210 nan 0.000 0.427 141 S N 3.300 119.003 115.700 0.005 0.000 2.558 141 S HA 0.116 4.586 4.470 0.000 0.000 0.288 141 S C -0.308 174.295 174.600 0.005 0.000 1.318 141 S CA -0.569 57.633 58.200 0.004 0.000 1.056 141 S CB 0.659 63.861 63.200 0.004 0.000 0.853 141 S HN 0.358 nan 8.310 nan 0.000 0.505 142 V N 4.560 124.477 119.914 0.004 0.000 2.485 142 V HA 0.109 4.229 4.120 0.000 0.000 0.287 142 V C 1.031 177.122 176.094 -0.005 0.000 1.022 142 V CA 0.742 63.043 62.300 0.001 0.000 1.067 142 V CB 0.161 31.985 31.823 0.001 0.000 0.967 142 V HN 0.869 nan 8.190 nan 0.000 0.479 143 R N 1.847 122.340 120.500 -0.012 0.000 2.580 143 R HA 0.222 4.562 4.340 0.000 0.000 0.285 143 R C -0.020 176.257 176.300 -0.038 0.000 0.947 143 R CA -0.297 55.792 56.100 -0.019 0.000 1.102 143 R CB 0.746 31.038 30.300 -0.013 0.000 1.696 143 R HN 0.691 nan 8.270 nan 0.000 0.506 144 E N 2.425 122.592 120.200 -0.056 0.000 2.216 144 E HA 0.253 4.604 4.350 0.000 0.000 0.279 144 E C -2.572 173.963 176.600 -0.108 0.000 0.997 144 E CA -2.333 54.008 56.400 -0.098 0.000 0.817 144 E CB 1.133 30.745 29.700 -0.147 0.000 1.096 144 E HN -0.168 nan 8.360 nan 0.000 0.393 145 P HA -0.026 nan 4.420 nan 0.000 0.268 145 P C -0.654 176.559 177.300 -0.144 0.000 1.204 145 P CA 0.048 63.084 63.100 -0.107 0.000 0.768 145 P CB 0.415 32.058 31.700 -0.094 0.000 0.842 146 M N 3.829 123.372 119.600 -0.096 0.000 2.268 146 M HA 0.136 4.616 4.480 0.000 0.000 0.340 146 M C -0.606 175.672 176.300 -0.037 0.000 1.099 146 M CA -0.501 54.746 55.300 -0.089 0.000 1.053 146 M CB 0.003 32.567 32.600 -0.059 0.000 1.284 146 M HN 0.294 nan 8.290 nan 0.000 0.410 147 Q N 2.232 122.020 119.800 -0.020 0.000 2.286 147 Q HA 0.128 4.468 4.340 0.000 0.000 0.267 147 Q C 1.303 177.349 176.000 0.077 0.000 1.028 147 Q CA 0.241 56.074 55.803 0.050 0.000 0.901 147 Q CB 0.635 29.444 28.738 0.118 0.000 1.183 147 Q HN 0.734 nan 8.270 nan 0.000 0.392 148 T N -1.281 113.303 114.554 0.049 0.000 3.014 148 T HA 0.103 4.453 4.350 0.000 0.000 0.263 148 T C 1.272 175.998 174.700 0.043 0.000 1.078 148 T CA 0.654 62.781 62.100 0.044 0.000 1.135 148 T CB 0.113 68.998 68.868 0.029 0.000 0.895 148 T HN 0.812 nan 8.240 nan 0.000 0.480 149 G N 1.396 110.222 108.800 0.043 0.000 2.176 149 G HA2 -0.199 3.761 3.960 0.000 0.000 0.253 149 G HA3 -0.199 3.761 3.960 0.000 0.000 0.253 149 G C 0.022 174.931 174.900 0.016 0.000 0.979 149 G CA 0.077 45.194 45.100 0.028 0.000 0.641 149 G HN 0.660 nan 8.290 nan 0.000 0.530 150 I N 1.208 121.788 120.570 0.016 0.000 2.297 150 I HA 0.264 4.434 4.170 0.000 0.000 0.291 150 I C 1.590 177.715 176.117 0.013 0.000 1.033 150 I CA -0.734 60.571 61.300 0.008 0.000 1.253 150 I CB 1.275 39.278 38.000 0.004 0.000 1.396 150 I HN 0.001 nan 8.210 nan 0.000 0.476 151 K N 4.378 124.786 120.400 0.013 0.000 2.034 151 K HA -0.274 4.046 4.320 0.000 0.000 0.214 151 K C 2.112 178.722 176.600 0.017 0.000 1.051 151 K CA 2.043 58.340 56.287 0.018 0.000 0.931 151 K CB -0.241 32.271 32.500 0.020 0.000 0.715 151 K HN 0.802 nan 8.250 nan 0.000 0.446 152 A N 0.891 123.719 122.820 0.013 0.000 1.940 152 A HA -0.147 4.173 4.320 0.000 0.000 0.219 152 A C 2.402 179.997 177.584 0.018 0.000 1.176 152 A CA 1.713 53.759 52.037 0.015 0.000 0.631 152 A CB -0.622 18.386 19.000 0.012 0.000 0.814 152 A HN 0.109 nan 8.150 nan 0.000 0.446 153 V N 0.293 120.217 119.914 0.017 0.000 2.283 153 V HA -0.177 3.943 4.120 0.000 0.000 0.243 153 V C 2.090 178.195 176.094 0.019 0.000 1.039 153 V CA 2.103 64.414 62.300 0.019 0.000 1.016 153 V CB -0.837 30.997 31.823 0.018 0.000 0.650 153 V HN 0.457 nan 8.190 nan 0.000 0.449 154 D N 0.503 120.914 120.400 0.019 0.000 2.221 154 D HA -0.125 4.515 4.640 0.000 0.000 0.204 154 D C 2.351 178.662 176.300 0.018 0.000 0.982 154 D CA 1.765 55.776 54.000 0.018 0.000 0.857 154 D CB -0.098 40.716 40.800 0.023 0.000 0.934 154 D HN 0.618 nan 8.370 nan 0.000 0.475 155 S N -1.022 114.689 115.700 0.019 0.000 2.468 155 S HA 0.098 4.569 4.470 0.000 0.000 0.226 155 S C 1.973 176.584 174.600 0.017 0.000 1.051 155 S CA -0.038 58.173 58.200 0.019 0.000 0.943 155 S CB -0.153 63.059 63.200 0.020 0.000 0.810 155 S HN 0.173 nan 8.310 nan 0.000 0.509 156 L N 1.436 122.670 121.223 0.019 0.000 2.316 156 L HA 0.321 4.661 4.340 0.000 0.000 0.207 156 L C 0.684 177.568 176.870 0.023 0.000 1.070 156 L CA 0.406 55.259 54.840 0.022 0.000 0.820 156 L CB 0.287 42.363 42.059 0.027 0.000 0.992 156 L HN 0.391 nan 8.230 nan 0.000 0.466 157 V N -2.711 117.217 119.914 0.024 0.000 2.468 157 V HA 0.407 4.527 4.120 0.000 0.000 0.256 157 V C -2.693 173.412 176.094 0.019 0.000 0.998 157 V CA -1.841 60.474 62.300 0.024 0.000 1.114 157 V CB -0.136 31.706 31.823 0.032 0.000 1.378 157 V HN -0.077 nan 8.190 nan 0.000 0.573 158 P HA 0.359 nan 4.420 nan 0.000 0.268 158 P C -0.345 176.958 177.300 0.005 0.000 1.205 158 P CA 0.433 63.538 63.100 0.008 0.000 0.771 158 P CB 1.423 33.126 31.700 0.005 0.000 0.858 159 I N 1.646 122.216 120.570 0.000 0.000 2.433 159 I HA 0.531 4.701 4.170 0.000 0.000 0.292 159 I C 0.895 177.001 176.117 -0.017 0.000 1.001 159 I CA -0.601 60.697 61.300 -0.004 0.000 1.119 159 I CB 2.275 40.275 38.000 -0.001 0.000 1.289 159 I HN 0.325 nan 8.210 nan 0.000 0.438 160 G N 4.201 112.990 108.800 -0.019 0.000 2.537 160 G HA2 0.571 4.531 3.960 0.000 0.000 0.323 160 G HA3 0.571 4.531 3.960 0.000 0.000 0.323 160 G C -0.677 174.205 174.900 -0.031 0.000 1.207 160 G CA -0.889 44.191 45.100 -0.034 0.000 0.976 160 G HN 0.519 nan 8.290 nan 0.000 0.487 161 R N -0.254 120.217 120.500 -0.049 0.000 2.421 161 R HA 0.404 4.744 4.340 0.000 0.000 0.305 161 R C 1.187 177.500 176.300 0.021 0.000 1.039 161 R CA 1.313 57.399 56.100 -0.024 0.000 1.003 161 R CB 0.667 30.919 30.300 -0.079 0.000 0.959 161 R HN 1.111 nan 8.270 nan 0.000 0.427 162 G N 1.751 110.572 108.800 0.036 0.000 2.195 162 G HA2 -0.288 3.672 3.960 0.000 0.000 0.224 162 G HA3 -0.288 3.672 3.960 0.000 0.000 0.224 162 G C 0.182 175.095 174.900 0.022 0.000 0.990 162 G CA -0.108 45.014 45.100 0.036 0.000 0.639 162 G HN 0.575 nan 8.290 nan 0.000 0.514 163 Q N 0.062 119.870 119.800 0.014 0.000 2.317 163 Q HA 0.680 5.020 4.340 0.000 0.000 0.229 163 Q C -0.041 175.968 176.000 0.015 0.000 0.984 163 Q CA -0.461 55.349 55.803 0.012 0.000 0.911 163 Q CB 0.443 29.185 28.738 0.006 0.000 1.217 163 Q HN 0.326 nan 8.270 nan 0.000 0.501 164 R N 1.481 121.991 120.500 0.016 0.000 2.494 164 R HA 0.382 4.722 4.340 0.000 0.000 0.305 164 R C -1.425 174.885 176.300 0.016 0.000 0.959 164 R CA -0.520 55.592 56.100 0.019 0.000 0.864 164 R CB 1.811 32.125 30.300 0.024 0.000 1.159 164 R HN 0.570 nan 8.270 nan 0.000 0.446 165 E N 2.603 122.812 120.200 0.014 0.000 2.281 165 E HA 0.263 4.613 4.350 0.000 0.000 0.266 165 E C -1.441 175.168 176.600 0.016 0.000 0.893 165 E CA -0.853 55.556 56.400 0.016 0.000 0.798 165 E CB 1.101 30.811 29.700 0.016 0.000 1.245 165 E HN 0.388 nan 8.360 nan 0.000 0.410 166 L N 5.187 126.421 121.223 0.018 0.000 2.439 166 L HA 0.446 4.786 4.340 0.000 0.000 0.269 166 L C -1.032 175.858 176.870 0.032 0.000 1.179 166 L CA 0.290 55.140 54.840 0.016 0.000 0.828 166 L CB 0.674 42.739 42.059 0.011 0.000 1.106 166 L HN 0.616 nan 8.230 nan 0.000 0.467 167 I N 6.680 127.269 120.570 0.030 0.000 2.355 167 I HA 0.438 4.608 4.170 0.000 0.000 0.288 167 I C -0.459 175.691 176.117 0.055 0.000 0.999 167 I CA -0.144 61.181 61.300 0.042 0.000 1.163 167 I CB 1.293 39.310 38.000 0.028 0.000 1.316 167 I HN 0.551 nan 8.210 nan 0.000 0.454 168 I N 5.354 125.986 120.570 0.104 0.000 2.619 168 I HA 0.905 5.075 4.170 0.000 0.000 0.292 168 I C -0.492 175.768 176.117 0.238 0.000 1.100 168 I CA 0.006 61.396 61.300 0.149 0.000 1.043 168 I CB 2.066 40.154 38.000 0.147 0.000 1.239 168 I HN 0.689 nan 8.210 nan 0.000 0.420 169 G N 4.866 113.769 108.800 0.173 0.000 2.325 169 G HA2 0.166 4.126 3.960 0.000 0.000 0.297 169 G HA3 0.166 4.126 3.960 0.000 0.000 0.297 169 G C -1.908 173.020 174.900 0.046 0.000 1.448 169 G CA -0.832 44.332 45.100 0.108 0.000 0.838 169 G HN 0.528 nan 8.290 nan 0.000 0.579 170 D N 0.268 120.673 120.400 0.008 0.000 2.354 170 D HA 0.320 4.960 4.640 0.000 0.000 0.238 170 D C 1.340 177.608 176.300 -0.053 0.000 1.250 170 D CA 0.101 54.098 54.000 -0.004 0.000 0.911 170 D CB 0.399 41.191 40.800 -0.014 0.000 1.163 170 D HN 0.695 nan 8.370 nan 0.000 0.456 171 R N 0.157 120.637 120.500 -0.034 0.000 2.698 171 R HA 0.035 4.375 4.340 0.000 0.000 0.266 171 R C 0.156 176.376 176.300 -0.135 0.000 1.026 171 R CA -0.271 55.796 56.100 -0.055 0.000 1.102 171 R CB 0.002 30.290 30.300 -0.021 0.000 0.978 171 R HN 0.299 nan 8.270 nan 0.000 0.436 172 Q N -0.145 119.555 119.800 -0.166 0.000 2.487 172 Q HA -0.183 4.157 4.340 0.000 0.000 0.279 172 Q C -0.200 175.424 176.000 -0.627 0.000 1.228 172 Q CA 1.649 57.271 55.803 -0.302 0.000 0.873 172 Q CB -1.605 27.003 28.738 -0.217 0.000 1.260 172 Q HN 0.999 nan 8.270 nan 0.000 0.471 173 T N -4.806 109.452 114.554 -0.493 0.000 3.023 173 T HA 0.533 4.883 4.350 0.000 0.000 0.253 173 T C 1.317 175.807 174.700 -0.350 0.000 1.038 173 T CA 0.452 62.190 62.100 -0.604 0.000 0.962 173 T CB 1.010 69.671 68.868 -0.344 0.000 1.018 173 T HN 1.207 nan 8.240 nan 0.000 0.521 174 G N 1.585 110.258 108.800 -0.211 0.000 2.148 174 G HA2 -0.197 3.763 3.960 0.000 0.000 0.157 174 G HA3 -0.197 3.763 3.960 0.000 0.000 0.157 174 G C 0.676 175.562 174.900 -0.023 0.000 1.012 174 G CA 0.126 45.208 45.100 -0.031 0.000 0.677 174 G HN 0.480 nan 8.290 nan 0.000 0.506 175 K N -0.222 120.156 120.400 -0.037 0.000 2.001 175 K HA -0.027 4.293 4.320 0.000 0.000 0.208 175 K C 2.523 179.137 176.600 0.024 0.000 1.048 175 K CA 1.827 58.111 56.287 -0.005 0.000 0.932 175 K CB -0.352 32.147 32.500 -0.002 0.000 0.715 175 K HN 0.240 nan 8.250 nan 0.000 0.437 176 T N 1.136 115.713 114.554 0.038 0.000 2.833 176 T HA -0.107 4.243 4.350 0.000 0.000 0.269 176 T C 2.047 176.781 174.700 0.058 0.000 1.054 176 T CA 1.475 63.624 62.100 0.083 0.000 1.135 176 T CB -0.185 68.741 68.868 0.097 0.000 0.869 176 T HN 0.158 nan 8.240 nan 0.000 0.466 177 S N 1.148 116.860 115.700 0.020 0.000 2.382 177 S HA -0.058 4.412 4.470 0.000 0.000 0.228 177 S C 1.984 176.574 174.600 -0.017 0.000 1.027 177 S CA 0.688 58.877 58.200 -0.018 0.000 0.991 177 S CB -0.316 62.849 63.200 -0.058 0.000 0.823 177 S HN 0.324 nan 8.310 nan 0.000 0.469 178 I N 2.080 122.650 120.570 0.000 0.000 2.163 178 I HA -0.166 4.004 4.170 0.000 0.000 0.243 178 I C 2.709 178.842 176.117 0.026 0.000 1.085 178 I CA 1.309 62.612 61.300 0.007 0.000 1.347 178 I CB -1.796 36.211 38.000 0.012 0.000 1.044 178 I HN 0.248 nan 8.210 nan 0.000 0.408 179 A N 0.778 123.627 122.820 0.050 0.000 1.930 179 A HA -0.138 4.182 4.320 0.000 0.000 0.217 179 A C 2.204 179.833 177.584 0.075 0.000 1.175 179 A CA 1.174 53.255 52.037 0.075 0.000 0.627 179 A CB -0.517 18.560 19.000 0.127 0.000 0.815 179 A HN 0.296 nan 8.150 nan 0.000 0.443 180 I N 0.272 120.876 120.570 0.057 0.000 2.439 180 I HA -0.135 4.035 4.170 0.000 0.000 0.251 180 I C 1.466 177.618 176.117 0.059 0.000 1.139 180 I CA 1.325 62.647 61.300 0.037 0.000 1.438 180 I CB -1.356 36.661 38.000 0.029 0.000 1.085 180 I HN 0.234 nan 8.210 nan 0.000 0.427 181 D N 0.495 120.921 120.400 0.044 0.000 2.183 181 D HA -0.098 4.542 4.640 0.000 0.000 0.203 181 D C 2.182 178.511 176.300 0.049 0.000 0.969 181 D CA 1.157 55.183 54.000 0.044 0.000 0.842 181 D CB -0.014 40.783 40.800 -0.005 0.000 0.957 181 D HN 0.199 nan 8.370 nan 0.000 0.484 182 T N 0.640 115.223 114.554 0.048 0.000 2.777 182 T HA -0.036 4.314 4.350 0.000 0.000 0.266 182 T C 2.171 176.918 174.700 0.078 0.000 1.040 182 T CA 0.480 62.613 62.100 0.054 0.000 1.141 182 T CB -0.085 68.810 68.868 0.046 0.000 0.868 182 T HN 0.143 nan 8.240 nan 0.000 0.444 183 I N 0.728 121.352 120.570 0.091 0.000 2.142 183 I HA -0.145 4.025 4.170 0.000 0.000 0.240 183 I C 2.259 178.489 176.117 0.187 0.000 1.078 183 I CA 1.386 62.770 61.300 0.140 0.000 1.343 183 I CB -0.380 37.680 38.000 0.101 0.000 1.046 183 I HN 0.212 nan 8.210 nan 0.000 0.405 184 I N 0.752 121.394 120.570 0.119 0.000 2.264 184 I HA -0.324 3.846 4.170 0.000 0.000 0.248 184 I C 2.244 178.413 176.117 0.086 0.000 1.111 184 I CA 1.415 62.782 61.300 0.112 0.000 1.382 184 I CB -0.601 37.447 38.000 0.080 0.000 1.060 184 I HN 0.335 nan 8.210 nan 0.000 0.418 185 N N 0.773 119.501 118.700 0.046 0.000 2.205 185 N HA -0.211 4.529 4.740 0.000 0.000 0.186 185 N C 1.785 177.221 175.510 -0.123 0.000 1.015 185 N CA 1.219 54.254 53.050 -0.025 0.000 0.862 185 N CB 0.006 38.506 38.487 0.022 0.000 0.986 185 N HN 0.265 nan 8.380 nan 0.000 0.429 186 Q N 0.269 120.042 119.800 -0.047 0.000 2.364 186 Q HA -0.089 4.251 4.340 0.000 0.000 0.207 186 Q C 1.635 177.410 176.000 -0.375 0.000 0.970 186 Q CA 0.565 56.282 55.803 -0.143 0.000 0.888 186 Q CB -0.230 28.402 28.738 -0.176 0.000 0.951 186 Q HN 0.524 nan 8.270 nan 0.000 0.469 187 K N 1.696 121.965 120.400 -0.217 0.000 2.211 187 K HA -0.185 4.135 4.320 0.000 0.000 0.204 187 K C 1.994 178.436 176.600 -0.262 0.000 1.047 187 K CA 1.241 57.444 56.287 -0.140 0.000 0.935 187 K CB 0.086 32.630 32.500 0.073 0.000 0.728 187 K HN 0.249 nan 8.250 nan 0.000 0.452 188 R N -0.680 119.555 120.500 -0.442 0.000 2.148 188 R HA -0.100 4.240 4.340 0.000 0.000 0.227 188 R C 1.640 177.620 176.300 -0.533 0.000 1.103 188 R CA 1.500 57.292 56.100 -0.514 0.000 0.983 188 R CB -0.482 29.445 30.300 -0.622 0.000 0.874 188 R HN 0.164 nan 8.270 nan 0.000 0.451 189 F N 0.989 120.840 119.950 -0.164 0.000 2.446 189 F HA 0.220 4.747 4.527 0.000 0.000 0.292 189 F C 1.759 177.432 175.800 -0.211 0.000 1.096 189 F CA -0.151 57.745 58.000 -0.173 0.000 1.438 189 F CB -0.233 38.654 39.000 -0.189 0.000 1.107 189 F HN -0.068 nan 8.300 nan 0.000 0.546 190 N N 0.250 118.835 118.700 -0.192 0.000 2.309 190 N HA -0.126 4.614 4.740 0.000 0.000 0.182 190 N C 0.923 176.364 175.510 -0.115 0.000 1.018 190 N CA 1.153 54.044 53.050 -0.265 0.000 0.876 190 N CB -0.367 37.764 38.487 -0.593 0.000 0.972 190 N HN 0.219 nan 8.380 nan 0.000 0.434 191 D N -0.252 120.093 120.400 -0.091 0.000 2.339 191 D HA 0.111 4.752 4.640 0.000 0.000 0.217 191 D C 1.126 177.409 176.300 -0.028 0.000 1.050 191 D CA 0.097 54.075 54.000 -0.037 0.000 0.856 191 D CB 0.041 40.819 40.800 -0.037 0.000 0.922 191 D HN 0.128 nan 8.370 nan 0.000 0.518 192 G N -0.100 108.683 108.800 -0.028 0.000 2.535 192 G HA2 0.261 4.221 3.960 0.000 0.000 0.282 192 G HA3 0.261 4.221 3.960 0.000 0.000 0.282 192 G C 0.829 175.735 174.900 0.011 0.000 1.350 192 G CA 0.219 45.318 45.100 -0.003 0.000 1.039 192 G HN 0.151 nan 8.290 nan 0.000 0.509 193 T N -3.082 111.483 114.554 0.018 0.000 3.182 193 T HA 0.233 4.583 4.350 0.000 0.000 0.277 193 T C -0.256 174.458 174.700 0.023 0.000 1.013 193 T CA 0.005 62.116 62.100 0.019 0.000 0.900 193 T CB 0.347 69.223 68.868 0.013 0.000 1.098 193 T HN 0.348 nan 8.240 nan 0.000 0.543 194 D N 1.072 121.488 120.400 0.028 0.000 2.446 194 D HA 0.275 4.915 4.640 0.000 0.000 0.251 194 D C 0.882 177.195 176.300 0.022 0.000 1.137 194 D CA -0.480 53.532 54.000 0.021 0.000 0.890 194 D CB 1.771 42.578 40.800 0.012 0.000 1.071 194 D HN 0.105 nan 8.370 nan 0.000 0.528 195 E N 3.232 123.453 120.200 0.035 0.000 2.333 195 E HA -0.183 4.167 4.350 0.000 0.000 0.198 195 E C 1.571 178.213 176.600 0.070 0.000 1.007 195 E CA 1.257 57.691 56.400 0.058 0.000 0.845 195 E CB 0.158 29.904 29.700 0.077 0.000 0.766 195 E HN 0.570 nan 8.360 nan 0.000 0.507 196 K N -0.144 120.283 120.400 0.044 0.000 2.418 196 K HA -0.017 4.303 4.320 0.000 0.000 0.195 196 K C 1.518 178.091 176.600 -0.043 0.000 1.035 196 K CA 0.636 56.963 56.287 0.066 0.000 1.003 196 K CB 0.168 32.700 32.500 0.053 0.000 0.793 196 K HN -0.055 nan 8.250 nan 0.000 0.494 197 K N 1.222 121.563 120.400 -0.098 0.000 2.379 197 K HA 0.104 4.424 4.320 0.000 0.000 0.194 197 K C -0.005 176.460 176.600 -0.225 0.000 1.031 197 K CA 0.034 56.167 56.287 -0.256 0.000 1.037 197 K CB 0.355 32.713 32.500 -0.237 0.000 0.824 197 K HN 0.123 nan 8.250 nan 0.000 0.516 198 K N 1.275 121.618 120.400 -0.094 0.000 2.319 198 K HA 0.084 4.404 4.320 0.000 0.000 0.265 198 K C -0.533 175.942 176.600 -0.208 0.000 1.000 198 K CA -0.029 56.158 56.287 -0.167 0.000 0.943 198 K CB 0.514 32.900 32.500 -0.189 0.000 0.950 198 K HN -0.147 nan 8.250 nan 0.000 0.485 199 L N 3.560 124.551 121.223 -0.387 0.000 2.491 199 L HA 0.281 4.621 4.340 0.000 0.000 0.267 199 L C -1.712 174.871 176.870 -0.478 0.000 0.971 199 L CA -0.374 54.286 54.840 -0.300 0.000 0.857 199 L CB 0.793 42.749 42.059 -0.170 0.000 1.226 199 L HN 0.440 nan 8.230 nan 0.000 0.408 200 Y N 3.141 123.302 120.300 -0.232 0.000 2.299 200 Y HA 0.511 5.061 4.550 0.000 0.000 0.326 200 Y C 0.559 176.364 175.900 -0.158 0.000 1.164 200 Y CA -0.046 57.891 58.100 -0.271 0.000 1.234 200 Y CB 1.056 39.020 38.460 -0.827 0.000 1.219 200 Y HN 0.525 nan 8.280 nan 0.000 0.497 201 C N 4.170 123.560 119.300 0.150 0.000 2.454 201 C HA 0.717 5.177 4.460 0.000 0.000 0.336 201 C C -0.136 174.908 174.990 0.091 0.000 1.189 201 C CA -1.157 57.930 59.018 0.114 0.000 1.877 201 C CB 0.462 28.312 27.740 0.184 0.000 2.348 201 C HN 0.644 nan 8.230 nan 0.000 0.508 202 I N 1.872 122.477 120.570 0.059 0.000 2.468 202 I HA 0.251 4.421 4.170 0.000 0.000 0.285 202 I C -1.233 174.911 176.117 0.044 0.000 1.039 202 I CA -0.381 60.952 61.300 0.055 0.000 1.074 202 I CB 1.160 39.176 38.000 0.027 0.000 1.228 202 I HN 0.659 nan 8.210 nan 0.000 0.436 203 Y N 7.325 127.598 120.300 -0.044 0.000 2.342 203 Y HA 0.600 5.150 4.550 0.000 0.000 0.338 203 Y C -0.888 174.990 175.900 -0.037 0.000 0.965 203 Y CA -0.687 57.379 58.100 -0.056 0.000 1.159 203 Y CB 1.195 39.635 38.460 -0.033 0.000 1.157 203 Y HN 0.250 nan 8.280 nan 0.000 0.486 204 V N 6.502 126.156 119.914 -0.433 0.000 2.370 204 V HA 0.643 4.763 4.120 0.000 0.000 0.279 204 V C 0.062 175.908 176.094 -0.414 0.000 1.029 204 V CA -0.617 61.526 62.300 -0.263 0.000 0.870 204 V CB 0.791 32.568 31.823 -0.077 0.000 0.984 204 V HN 0.918 nan 8.190 nan 0.000 0.451 205 A N 6.711 129.425 122.820 -0.177 0.000 2.260 205 A HA 0.861 5.181 4.320 0.000 0.000 0.308 205 A C -0.664 176.909 177.584 -0.017 0.000 1.254 205 A CA -0.335 51.658 52.037 -0.073 0.000 0.874 205 A CB 0.167 19.255 19.000 0.148 0.000 1.153 205 A HN 0.756 nan 8.150 nan 0.000 0.527 206 I N 1.996 122.556 120.570 -0.016 0.000 2.410 206 I HA 0.564 4.734 4.170 0.000 0.000 0.286 206 I C 1.070 177.211 176.117 0.040 0.000 1.009 206 I CA 0.441 61.751 61.300 0.017 0.000 1.111 206 I CB 1.829 39.832 38.000 0.005 0.000 1.262 206 I HN 1.002 nan 8.210 nan 0.000 0.443 207 G N 3.596 112.430 108.800 0.056 0.000 2.184 207 G HA2 -0.235 3.725 3.960 0.000 0.000 0.264 207 G HA3 -0.235 3.725 3.960 0.000 0.000 0.264 207 G C 0.296 175.231 174.900 0.059 0.000 0.975 207 G CA -0.148 44.989 45.100 0.062 0.000 0.642 207 G HN 0.589 nan 8.290 nan 0.000 0.536 208 Q N 0.229 120.065 119.800 0.061 0.000 2.396 208 Q HA 0.469 4.809 4.340 0.000 0.000 0.221 208 Q C 0.690 176.725 176.000 0.059 0.000 1.025 208 Q CA -0.037 55.805 55.803 0.065 0.000 0.946 208 Q CB 0.576 29.365 28.738 0.086 0.000 1.224 208 Q HN 0.640 nan 8.270 nan 0.000 0.539 209 K N 0.060 120.492 120.400 0.053 0.000 2.185 209 K HA 0.240 4.560 4.320 0.000 0.000 0.271 209 K C 0.465 177.093 176.600 0.046 0.000 1.013 209 K CA -0.556 55.759 56.287 0.045 0.000 0.943 209 K CB 1.181 33.704 32.500 0.038 0.000 0.998 209 K HN 0.409 nan 8.250 nan 0.000 0.468 210 R N 0.634 121.159 120.500 0.041 0.000 2.091 210 R HA -0.170 4.171 4.340 0.000 0.000 0.238 210 R C 2.204 178.523 176.300 0.031 0.000 1.136 210 R CA 2.276 58.399 56.100 0.038 0.000 0.959 210 R CB -0.330 29.989 30.300 0.032 0.000 0.856 210 R HN 0.938 nan 8.270 nan 0.000 0.437 211 S N -0.789 114.927 115.700 0.027 0.000 2.423 211 S HA -0.078 4.392 4.470 0.000 0.000 0.231 211 S C 1.831 176.443 174.600 0.020 0.000 1.014 211 S CA 1.437 59.649 58.200 0.020 0.000 0.965 211 S CB -0.146 63.065 63.200 0.018 0.000 0.785 211 S HN 0.187 nan 8.310 nan 0.000 0.495 212 T N 2.352 116.924 114.554 0.030 0.000 2.812 212 T HA 0.040 4.390 4.350 0.000 0.000 0.264 212 T C 1.885 176.601 174.700 0.026 0.000 1.042 212 T CA 1.220 63.339 62.100 0.031 0.000 1.140 212 T CB -0.469 68.426 68.868 0.045 0.000 0.870 212 T HN 0.296 nan 8.240 nan 0.000 0.445 213 V N 1.876 121.816 119.914 0.042 0.000 2.392 213 V HA -0.178 3.942 4.120 0.000 0.000 0.249 213 V C 2.849 178.944 176.094 0.002 0.000 1.059 213 V CA 1.694 64.019 62.300 0.042 0.000 1.051 213 V CB -1.163 30.706 31.823 0.077 0.000 0.658 213 V HN 0.516 nan 8.190 nan 0.000 0.455 214 A N -1.043 121.779 122.820 0.004 0.000 1.930 214 A HA -0.187 4.133 4.320 0.000 0.000 0.217 214 A C 2.212 179.781 177.584 -0.025 0.000 1.175 214 A CA 1.239 53.270 52.037 -0.010 0.000 0.627 214 A CB -0.375 18.623 19.000 -0.003 0.000 0.815 214 A HN 0.499 nan 8.150 nan 0.000 0.443 215 Q N -0.587 119.201 119.800 -0.020 0.000 2.084 215 Q HA -0.133 4.207 4.340 0.000 0.000 0.202 215 Q C 2.110 178.078 176.000 -0.054 0.000 0.978 215 Q CA 0.982 56.767 55.803 -0.029 0.000 0.844 215 Q CB -0.566 28.164 28.738 -0.012 0.000 0.898 215 Q HN 0.585 nan 8.270 nan 0.000 0.426 216 L N 0.541 121.723 121.223 -0.070 0.000 1.989 216 L HA -0.144 4.196 4.340 0.000 0.000 0.211 216 L C 2.269 179.050 176.870 -0.149 0.000 1.071 216 L CA 1.546 56.306 54.840 -0.135 0.000 0.749 216 L CB -0.990 40.949 42.059 -0.200 0.000 0.890 216 L HN 0.019 nan 8.230 nan 0.000 0.431 217 V N 0.328 120.171 119.914 -0.118 0.000 2.407 217 V HA -0.283 3.837 4.120 0.000 0.000 0.248 217 V C 2.699 178.738 176.094 -0.093 0.000 1.055 217 V CA 1.919 64.158 62.300 -0.103 0.000 1.049 217 V CB -0.706 31.079 31.823 -0.063 0.000 0.662 217 V HN 0.479 nan 8.190 nan 0.000 0.455 218 K N 0.247 120.600 120.400 -0.078 0.000 2.097 218 K HA -0.255 4.065 4.320 0.000 0.000 0.206 218 K C 2.351 178.892 176.600 -0.098 0.000 1.049 218 K CA 1.810 58.052 56.287 -0.076 0.000 0.933 218 K CB -0.071 32.392 32.500 -0.062 0.000 0.717 218 K HN 0.313 nan 8.250 nan 0.000 0.442 219 R N 0.901 121.334 120.500 -0.111 0.000 2.073 219 R HA -0.068 4.272 4.340 0.000 0.000 0.234 219 R C 2.264 178.481 176.300 -0.137 0.000 1.134 219 R CA 1.399 57.416 56.100 -0.139 0.000 0.952 219 R CB -0.436 29.789 30.300 -0.126 0.000 0.850 219 R HN 0.199 nan 8.270 nan 0.000 0.433 220 L N -0.241 120.901 121.223 -0.135 0.000 2.083 220 L HA -0.168 4.172 4.340 0.000 0.000 0.209 220 L C 2.248 179.030 176.870 -0.146 0.000 1.083 220 L CA 1.798 56.550 54.840 -0.148 0.000 0.752 220 L CB -0.633 41.322 42.059 -0.174 0.000 0.899 220 L HN 0.352 nan 8.230 nan 0.000 0.433 221 T N -0.999 113.481 114.554 -0.123 0.000 2.708 221 T HA -0.166 4.184 4.350 0.000 0.000 0.266 221 T C 1.424 176.068 174.700 -0.094 0.000 1.037 221 T CA 1.462 63.500 62.100 -0.103 0.000 1.146 221 T CB -0.237 68.582 68.868 -0.082 0.000 0.865 221 T HN 0.310 nan 8.240 nan 0.000 0.435 222 D N 1.523 121.864 120.400 -0.099 0.000 2.218 222 D HA 0.017 4.657 4.640 0.000 0.000 0.204 222 D C 1.878 178.121 176.300 -0.095 0.000 0.976 222 D CA 0.875 54.818 54.000 -0.096 0.000 0.853 222 D CB -0.251 40.481 40.800 -0.112 0.000 0.939 222 D HN 0.441 nan 8.370 nan 0.000 0.481 223 A N 0.176 122.934 122.820 -0.102 0.000 2.307 223 A HA 0.061 4.382 4.320 0.000 0.000 0.218 223 A C 0.434 177.980 177.584 -0.064 0.000 1.228 223 A CA 0.225 52.214 52.037 -0.079 0.000 0.857 223 A CB 0.069 19.026 19.000 -0.073 0.000 0.897 223 A HN 0.000 nan 8.150 nan 0.000 0.495 224 D N -2.617 117.735 120.400 -0.081 0.000 2.772 224 D HA -0.216 4.424 4.640 0.000 0.000 0.233 224 D C 0.813 177.040 176.300 -0.122 0.000 1.143 224 D CA 1.065 55.020 54.000 -0.075 0.000 0.700 224 D CB -1.208 39.575 40.800 -0.028 0.000 1.076 224 D HN 0.527 nan 8.370 nan 0.000 0.430 225 A N -0.905 121.767 122.820 -0.246 0.000 2.197 225 A HA 0.153 4.473 4.320 0.000 0.000 0.210 225 A C 1.898 178.975 177.584 -0.844 0.000 1.180 225 A CA 0.864 52.514 52.037 -0.645 0.000 0.846 225 A CB -0.068 18.695 19.000 -0.395 0.000 0.884 225 A HN 0.274 nan 8.150 nan 0.000 0.487 226 M N 1.386 120.743 119.600 -0.406 0.000 2.346 226 M HA -0.153 4.327 4.480 0.000 0.000 0.263 226 M C 1.932 178.091 176.300 -0.236 0.000 1.064 226 M CA 1.800 56.931 55.300 -0.282 0.000 1.083 226 M CB -0.527 31.976 32.600 -0.161 0.000 1.399 226 M HN 0.544 nan 8.290 nan 0.000 0.435 227 K N -0.588 119.679 120.400 -0.222 0.000 2.283 227 K HA -0.162 4.158 4.320 0.000 0.000 0.202 227 K C 0.632 177.267 176.600 0.058 0.000 1.048 227 K CA 1.504 57.760 56.287 -0.051 0.000 0.948 227 K CB -0.658 31.854 32.500 0.019 0.000 0.742 227 K HN 0.585 nan 8.250 nan 0.000 0.458 228 Y N -0.111 120.222 120.300 0.055 0.000 2.696 228 Y HA 0.466 5.016 4.550 0.000 0.000 0.260 228 Y C -0.508 175.447 175.900 0.091 0.000 1.165 228 Y CA -1.063 57.097 58.100 0.100 0.000 1.189 228 Y CB 0.050 38.495 38.460 -0.026 0.000 1.180 228 Y HN -0.227 nan 8.280 nan 0.000 0.538 229 T N 2.430 116.975 114.554 -0.015 0.000 2.863 229 T HA 0.603 4.953 4.350 0.000 0.000 0.285 229 T C -0.546 174.185 174.700 0.051 0.000 1.009 229 T CA -0.475 61.632 62.100 0.012 0.000 0.989 229 T CB 1.935 70.733 68.868 -0.115 0.000 1.004 229 T HN 0.145 nan 8.240 nan 0.000 0.455 230 I N 2.272 122.895 120.570 0.087 0.000 2.354 230 I HA 0.448 4.618 4.170 0.000 0.000 0.292 230 I C -0.543 175.625 176.117 0.085 0.000 0.989 230 I CA -1.035 60.315 61.300 0.085 0.000 1.188 230 I CB 1.729 39.796 38.000 0.111 0.000 1.342 230 I HN 0.227 nan 8.210 nan 0.000 0.457 231 V N 7.344 127.303 119.914 0.076 0.000 2.347 231 V HA 0.288 4.408 4.120 0.000 0.000 0.280 231 V C 0.010 176.158 176.094 0.090 0.000 1.021 231 V CA -0.627 61.743 62.300 0.116 0.000 0.847 231 V CB 1.750 33.633 31.823 0.099 0.000 0.990 231 V HN 0.393 nan 8.190 nan 0.000 0.444 232 V N 4.440 124.406 119.914 0.085 0.000 2.350 232 V HA 0.471 4.591 4.120 0.000 0.000 0.276 232 V C 0.269 176.394 176.094 0.053 0.000 1.028 232 V CA -0.055 62.275 62.300 0.050 0.000 0.860 232 V CB 1.595 33.435 31.823 0.029 0.000 0.990 232 V HN 0.833 nan 8.190 nan 0.000 0.453 233 S N 4.158 119.889 115.700 0.052 0.000 2.552 233 S HA 0.768 5.238 4.470 0.000 0.000 0.314 233 S C -0.195 174.434 174.600 0.048 0.000 1.099 233 S CA -0.156 58.080 58.200 0.059 0.000 1.070 233 S CB 1.216 64.458 63.200 0.071 0.000 0.998 233 S HN 1.028 nan 8.310 nan 0.000 0.474 234 A N 4.407 127.256 122.820 0.048 0.000 2.842 234 A HA 0.574 4.894 4.320 0.000 0.000 0.339 234 A C 0.487 178.108 177.584 0.062 0.000 1.177 234 A CA -0.639 51.432 52.037 0.056 0.000 0.797 234 A CB -0.199 18.836 19.000 0.059 0.000 1.094 234 A HN 0.841 nan 8.150 nan 0.000 0.474 235 T N -1.442 113.148 114.554 0.061 0.000 2.771 235 T HA 0.519 4.869 4.350 0.000 0.000 0.290 235 T C 1.600 176.336 174.700 0.060 0.000 1.005 235 T CA 0.095 62.231 62.100 0.060 0.000 0.944 235 T CB 0.806 69.708 68.868 0.056 0.000 1.147 235 T HN 0.956 nan 8.240 nan 0.000 0.534 236 A N 0.597 123.450 122.820 0.055 0.000 2.019 236 A HA -0.031 4.289 4.320 0.000 0.000 0.219 236 A C 2.403 180.017 177.584 0.049 0.000 1.164 236 A CA 1.748 53.816 52.037 0.053 0.000 0.644 236 A CB -1.289 17.739 19.000 0.047 0.000 0.805 236 A HN 1.016 nan 8.150 nan 0.000 0.449 237 S N -0.682 115.045 115.700 0.046 0.000 2.575 237 S HA 0.093 4.564 4.470 0.000 0.000 0.215 237 S C -0.115 174.514 174.600 0.048 0.000 0.966 237 S CA -0.288 57.937 58.200 0.041 0.000 0.911 237 S CB -0.133 63.087 63.200 0.034 0.000 0.780 237 S HN 0.384 nan 8.310 nan 0.000 0.514 238 D N 2.804 123.240 120.400 0.059 0.000 2.302 238 D HA 0.570 5.210 4.640 0.000 0.000 0.248 238 D C 0.331 176.681 176.300 0.084 0.000 1.094 238 D CA 0.024 54.067 54.000 0.072 0.000 0.897 238 D CB 1.342 42.190 40.800 0.081 0.000 1.200 238 D HN 0.391 nan 8.370 nan 0.000 0.429 239 A N 1.634 124.509 122.820 0.091 0.000 2.555 239 A HA 0.296 4.616 4.320 0.000 0.000 0.233 239 A C 1.500 179.158 177.584 0.123 0.000 1.060 239 A CA 0.483 52.573 52.037 0.089 0.000 0.759 239 A CB 0.142 19.192 19.000 0.084 0.000 0.995 239 A HN 0.649 nan 8.150 nan 0.000 0.506 240 A N 2.975 125.855 122.820 0.100 0.000 1.958 240 A HA -0.103 4.217 4.320 0.000 0.000 0.221 240 A C -0.147 177.563 177.584 0.210 0.000 1.178 240 A CA 2.212 54.327 52.037 0.130 0.000 0.642 240 A CB -1.684 17.363 19.000 0.079 0.000 0.816 240 A HN 0.661 nan 8.150 nan 0.000 0.453 241 P HA -0.095 nan 4.420 nan 0.000 0.218 241 P C 1.431 179.073 177.300 0.570 0.000 1.149 241 P CA 0.757 64.050 63.100 0.321 0.000 0.817 241 P CB -0.108 31.622 31.700 0.049 0.000 0.785 242 L N -0.963 120.520 121.223 0.433 0.000 2.072 242 L HA -0.161 4.179 4.340 0.000 0.000 0.205 242 L C 2.637 179.642 176.870 0.226 0.000 1.079 242 L CA 1.486 56.520 54.840 0.323 0.000 0.752 242 L CB -0.832 41.364 42.059 0.227 0.000 0.906 242 L HN -0.018 nan 8.230 nan 0.000 0.436 243 Q N -1.122 118.808 119.800 0.216 0.000 2.119 243 Q HA -0.251 4.089 4.340 0.000 0.000 0.201 243 Q C 2.088 178.201 176.000 0.188 0.000 0.972 243 Q CA 1.786 57.687 55.803 0.164 0.000 0.847 243 Q CB -0.269 28.562 28.738 0.154 0.000 0.903 243 Q HN 0.500 nan 8.270 nan 0.000 0.433 244 Y N 0.967 121.362 120.300 0.159 0.000 2.181 244 Y HA -0.234 4.316 4.550 0.000 0.000 0.288 244 Y C 1.874 177.904 175.900 0.216 0.000 1.146 244 Y CA 1.169 59.381 58.100 0.187 0.000 1.164 244 Y CB -0.187 38.417 38.460 0.240 0.000 0.982 244 Y HN 0.078 nan 8.280 nan 0.000 0.515 245 L N 0.605 121.878 121.223 0.084 0.000 2.179 245 L HA 0.112 4.452 4.340 0.000 0.000 0.208 245 L C 2.534 179.388 176.870 -0.026 0.000 1.096 245 L CA 1.615 56.454 54.840 -0.001 0.000 0.779 245 L CB -1.217 40.903 42.059 0.101 0.000 0.922 245 L HN 0.308 nan 8.230 nan 0.000 0.443 246 A N 0.639 123.443 122.820 -0.028 0.000 1.903 246 A HA -0.208 4.112 4.320 0.000 0.000 0.219 246 A C -0.002 177.530 177.584 -0.086 0.000 1.191 246 A CA 2.350 54.363 52.037 -0.041 0.000 0.638 246 A CB -2.173 16.823 19.000 -0.007 0.000 0.823 246 A HN 0.429 nan 8.150 nan 0.000 0.451 247 P HA -0.173 nan 4.420 nan 0.000 0.215 247 P C 0.961 178.059 177.300 -0.336 0.000 1.153 247 P CA 1.499 64.397 63.100 -0.336 0.000 0.853 247 P CB -0.265 30.936 31.700 -0.833 0.000 0.788 248 Y N -0.213 119.977 120.300 -0.184 0.000 2.200 248 Y HA -0.130 4.421 4.550 0.000 0.000 0.290 248 Y C 2.643 178.502 175.900 -0.068 0.000 1.137 248 Y CA 1.344 59.354 58.100 -0.150 0.000 1.163 248 Y CB -1.350 36.977 38.460 -0.222 0.000 0.988 248 Y HN -0.076 nan 8.280 nan 0.000 0.518 249 S N 0.060 115.795 115.700 0.059 0.000 2.348 249 S HA -0.179 4.291 4.470 0.000 0.000 0.221 249 S C 2.434 177.062 174.600 0.047 0.000 1.033 249 S CA 1.244 59.462 58.200 0.030 0.000 1.010 249 S CB -1.177 62.017 63.200 -0.010 0.000 0.891 249 S HN 0.647 nan 8.310 nan 0.000 0.442 250 G N 0.210 109.042 108.800 0.054 0.000 2.450 250 G HA2 -0.278 3.682 3.960 0.000 0.000 0.220 250 G HA3 -0.278 3.682 3.960 0.000 0.000 0.220 250 G C 1.684 176.649 174.900 0.108 0.000 1.130 250 G CA 1.072 46.217 45.100 0.075 0.000 0.760 250 G HN 0.587 nan 8.290 nan 0.000 0.557 251 C N 0.330 119.714 119.300 0.141 0.000 2.453 251 C HA 0.026 4.487 4.460 0.000 0.000 0.277 251 C C 3.249 178.312 174.990 0.123 0.000 1.262 251 C CA 1.607 60.720 59.018 0.158 0.000 1.718 251 C CB -0.929 26.908 27.740 0.161 0.000 2.031 251 C HN 0.369 nan 8.230 nan 0.000 0.480 252 S N 0.805 116.564 115.700 0.099 0.000 2.370 252 S HA -0.215 4.255 4.470 0.000 0.000 0.226 252 S C 1.716 176.372 174.600 0.093 0.000 1.033 252 S CA 2.217 60.466 58.200 0.081 0.000 1.011 252 S CB -0.414 62.817 63.200 0.051 0.000 0.852 252 S HN 0.675 nan 8.310 nan 0.000 0.457 253 M N 0.729 120.386 119.600 0.094 0.000 2.213 253 M HA -0.045 4.435 4.480 0.000 0.000 0.263 253 M C 2.365 178.811 176.300 0.244 0.000 1.062 253 M CA 1.433 56.800 55.300 0.113 0.000 1.105 253 M CB -0.655 32.004 32.600 0.098 0.000 1.385 253 M HN 0.432 nan 8.290 nan 0.000 0.417 254 G N -0.184 108.766 108.800 0.251 0.000 2.464 254 G HA2 -0.107 3.854 3.960 0.000 0.000 0.217 254 G HA3 -0.107 3.854 3.960 0.000 0.000 0.217 254 G C 1.348 176.422 174.900 0.290 0.000 1.138 254 G CA 0.198 45.499 45.100 0.335 0.000 0.793 254 G HN 0.463 nan 8.290 nan 0.000 0.539 255 E N -0.545 119.764 120.200 0.181 0.000 2.268 255 E HA -0.125 4.226 4.350 0.000 0.000 0.195 255 E C 1.856 178.502 176.600 0.077 0.000 0.995 255 E CA 0.508 56.977 56.400 0.115 0.000 0.836 255 E CB -0.170 29.581 29.700 0.085 0.000 0.763 255 E HN 0.646 nan 8.360 nan 0.000 0.491 256 Y N 0.462 120.725 120.300 -0.061 0.000 2.145 256 Y HA -0.263 4.287 4.550 0.000 0.000 0.286 256 Y C 1.704 177.438 175.900 -0.276 0.000 1.145 256 Y CA 1.598 59.568 58.100 -0.217 0.000 1.148 256 Y CB -0.368 37.872 38.460 -0.367 0.000 0.981 256 Y HN -0.082 nan 8.280 nan 0.000 0.507 257 F N 0.408 120.325 119.950 -0.054 0.000 2.075 257 F HA -0.160 4.367 4.527 0.000 0.000 0.297 257 F C 2.820 178.518 175.800 -0.170 0.000 1.113 257 F CA 1.903 59.811 58.000 -0.153 0.000 1.218 257 F CB -0.735 38.279 39.000 0.023 0.000 0.984 257 F HN -0.097 nan 8.300 nan 0.000 0.472 258 R N 0.574 121.134 120.500 0.101 0.000 2.103 258 R HA -0.203 4.137 4.340 0.000 0.000 0.242 258 R C 1.143 177.420 176.300 -0.039 0.000 1.142 258 R CA 2.176 58.290 56.100 0.023 0.000 0.960 258 R CB -0.402 29.930 30.300 0.053 0.000 0.858 258 R HN 0.207 nan 8.270 nan 0.000 0.439 259 D N -0.621 119.737 120.400 -0.071 0.000 2.339 259 D HA -0.002 4.638 4.640 0.000 0.000 0.217 259 D C -0.039 176.181 176.300 -0.133 0.000 1.050 259 D CA 0.588 54.550 54.000 -0.065 0.000 0.856 259 D CB 0.165 40.939 40.800 -0.043 0.000 0.922 259 D HN 0.297 nan 8.370 nan 0.000 0.518 260 N N -0.600 117.962 118.700 -0.230 0.000 2.467 260 N HA 0.292 5.032 4.740 0.000 0.000 0.278 260 N C 0.814 176.220 175.510 -0.174 0.000 1.306 260 N CA 0.026 52.919 53.050 -0.262 0.000 0.905 260 N CB 1.287 39.464 38.487 -0.517 0.000 1.236 260 N HN -0.009 nan 8.380 nan 0.000 0.509 261 G N -0.095 108.628 108.800 -0.129 0.000 2.168 261 G HA2 -0.339 3.621 3.960 0.000 0.000 0.263 261 G HA3 -0.339 3.621 3.960 0.000 0.000 0.263 261 G C 0.342 175.136 174.900 -0.176 0.000 0.977 261 G CA 0.725 45.754 45.100 -0.117 0.000 0.659 261 G HN 0.263 nan 8.290 nan 0.000 0.533 262 K N -0.587 119.713 120.400 -0.166 0.000 2.288 262 K HA 0.794 5.114 4.320 0.000 0.000 0.234 262 K C -0.220 176.184 176.600 -0.327 0.000 1.037 262 K CA -0.697 55.531 56.287 -0.098 0.000 0.914 262 K CB 0.722 33.362 32.500 0.234 0.000 1.197 262 K HN 0.412 nan 8.250 nan 0.000 0.471 263 H N -0.801 118.381 119.070 0.187 0.000 2.609 263 H HA 0.696 5.252 4.556 0.000 0.000 0.344 263 H C -1.256 174.111 175.328 0.065 0.000 1.040 263 H CA -0.820 55.284 56.048 0.093 0.000 1.216 263 H CB 1.952 31.721 29.762 0.011 0.000 1.529 263 H HN 0.571 nan 8.280 nan 0.000 0.519 264 A N 2.675 125.580 122.820 0.141 0.000 2.454 264 A HA 0.626 4.946 4.320 0.000 0.000 0.302 264 A C -1.746 175.860 177.584 0.036 0.000 1.079 264 A CA -0.664 51.392 52.037 0.033 0.000 0.731 264 A CB 1.405 20.439 19.000 0.057 0.000 1.299 264 A HN 0.503 nan 8.150 nan 0.000 0.413 265 L N 2.124 123.348 121.223 0.002 0.000 2.325 265 L HA 0.777 5.117 4.340 0.000 0.000 0.281 265 L C -0.983 175.859 176.870 -0.048 0.000 1.004 265 L CA -0.459 54.374 54.840 -0.013 0.000 0.823 265 L CB 1.063 43.121 42.059 -0.000 0.000 1.236 265 L HN 0.684 nan 8.230 nan 0.000 0.415 266 I N 4.934 125.431 120.570 -0.122 0.000 2.474 266 I HA 0.587 4.758 4.170 0.000 0.000 0.294 266 I C -1.227 174.640 176.117 -0.417 0.000 1.005 266 I CA -0.542 60.595 61.300 -0.272 0.000 1.113 266 I CB 1.532 39.310 38.000 -0.369 0.000 1.289 266 I HN 0.591 nan 8.210 nan 0.000 0.436 267 I N 7.774 128.090 120.570 -0.423 0.000 2.378 267 I HA 0.286 4.456 4.170 0.000 0.000 0.291 267 I C -1.178 174.579 176.117 -0.600 0.000 0.992 267 I CA -0.089 60.972 61.300 -0.398 0.000 1.154 267 I CB 1.339 39.255 38.000 -0.140 0.000 1.315 267 I HN 0.347 nan 8.210 nan 0.000 0.448 268 Y N 4.067 124.240 120.300 -0.211 0.000 2.593 268 Y HA 0.398 4.948 4.550 0.000 0.000 0.331 268 Y C -0.121 175.626 175.900 -0.255 0.000 0.986 268 Y CA -0.711 57.235 58.100 -0.256 0.000 1.262 268 Y CB 0.816 39.133 38.460 -0.238 0.000 1.098 268 Y HN 0.398 nan 8.280 nan 0.000 0.506 269 D N 3.688 123.952 120.400 -0.228 0.000 2.464 269 D HA 0.193 4.833 4.640 0.000 0.000 0.243 269 D C -1.202 175.042 176.300 -0.093 0.000 1.104 269 D CA -0.403 53.497 54.000 -0.167 0.000 0.883 269 D CB 0.404 41.063 40.800 -0.235 0.000 1.050 269 D HN 0.674 nan 8.370 nan 0.000 0.524 270 D N 0.494 120.873 120.400 -0.035 0.000 2.531 270 D HA 0.245 4.885 4.640 0.000 0.000 0.244 270 D C 0.901 177.175 176.300 -0.044 0.000 1.090 270 D CA -0.747 53.233 54.000 -0.034 0.000 0.989 270 D CB 1.044 41.839 40.800 -0.010 0.000 1.433 270 D HN 0.095 nan 8.370 nan 0.000 0.492 271 L N 0.141 121.304 121.223 -0.100 0.000 2.376 271 L HA -0.027 4.313 4.340 0.000 0.000 0.219 271 L C 1.780 178.635 176.870 -0.025 0.000 1.133 271 L CA 0.561 55.292 54.840 -0.182 0.000 0.816 271 L CB -0.370 41.349 42.059 -0.567 0.000 0.933 271 L HN 0.421 nan 8.230 nan 0.000 0.449 272 S N 0.171 115.876 115.700 0.009 0.000 2.368 272 S HA -0.146 4.324 4.470 0.000 0.000 0.224 272 S C 1.911 176.589 174.600 0.129 0.000 1.029 272 S CA 1.207 59.454 58.200 0.078 0.000 0.988 272 S CB -0.036 63.205 63.200 0.067 0.000 0.838 272 S HN 0.406 nan 8.310 nan 0.000 0.462 273 K N 1.017 121.475 120.400 0.096 0.000 2.217 273 K HA -0.014 4.306 4.320 0.000 0.000 0.202 273 K C 2.375 179.058 176.600 0.139 0.000 1.051 273 K CA 0.642 56.996 56.287 0.111 0.000 0.952 273 K CB -0.098 32.449 32.500 0.079 0.000 0.736 273 K HN 0.323 nan 8.250 nan 0.000 0.453 274 Q N 0.844 120.720 119.800 0.127 0.000 2.119 274 Q HA -0.106 4.234 4.340 0.000 0.000 0.201 274 Q C 2.046 178.207 176.000 0.268 0.000 0.972 274 Q CA 1.326 57.227 55.803 0.164 0.000 0.847 274 Q CB -0.013 28.770 28.738 0.076 0.000 0.903 274 Q HN 0.304 nan 8.270 nan 0.000 0.433 275 A N 0.140 123.133 122.820 0.289 0.000 1.902 275 A HA -0.126 4.194 4.320 0.000 0.000 0.217 275 A C 2.245 180.103 177.584 0.457 0.000 1.181 275 A CA 1.456 53.692 52.037 0.331 0.000 0.623 275 A CB -0.722 18.382 19.000 0.173 0.000 0.818 275 A HN 0.279 nan 8.150 nan 0.000 0.443 276 V N -0.161 119.985 119.914 0.388 0.000 2.287 276 V HA -0.277 3.843 4.120 0.000 0.000 0.248 276 V C 3.056 179.263 176.094 0.188 0.000 1.053 276 V CA 2.045 64.508 62.300 0.272 0.000 1.027 276 V CB -1.161 30.779 31.823 0.194 0.000 0.646 276 V HN 0.623 nan 8.190 nan 0.000 0.447 277 A N -1.132 121.815 122.820 0.210 0.000 1.933 277 A HA -0.254 4.066 4.320 0.000 0.000 0.218 277 A C 2.164 179.886 177.584 0.231 0.000 1.175 277 A CA 1.974 54.129 52.037 0.196 0.000 0.628 277 A CB -0.704 18.431 19.000 0.226 0.000 0.814 277 A HN 0.650 nan 8.150 nan 0.000 0.444 278 Y N 0.646 121.053 120.300 0.178 0.000 2.200 278 Y HA -0.163 4.387 4.550 0.000 0.000 0.290 278 Y C 2.430 178.367 175.900 0.061 0.000 1.137 278 Y CA 1.841 60.015 58.100 0.123 0.000 1.163 278 Y CB -0.508 38.088 38.460 0.226 0.000 0.988 278 Y HN 0.352 nan 8.280 nan 0.000 0.518 279 R N 0.479 120.980 120.500 0.001 0.000 2.096 279 R HA -0.240 4.100 4.340 0.000 0.000 0.235 279 R C 2.412 178.620 176.300 -0.154 0.000 1.127 279 R CA 1.865 57.873 56.100 -0.153 0.000 0.968 279 R CB -0.438 29.793 30.300 -0.115 0.000 0.861 279 R HN 0.622 nan 8.270 nan 0.000 0.440 280 Q N 0.403 120.158 119.800 -0.075 0.000 2.020 280 Q HA -0.239 4.101 4.340 0.000 0.000 0.202 280 Q C 2.206 178.150 176.000 -0.094 0.000 0.982 280 Q CA 1.983 57.745 55.803 -0.068 0.000 0.838 280 Q CB -0.185 28.541 28.738 -0.021 0.000 0.899 280 Q HN 0.444 nan 8.270 nan 0.000 0.423 281 M N -0.025 119.518 119.600 -0.096 0.000 2.073 281 M HA -0.225 4.255 4.480 0.000 0.000 0.258 281 M C 2.451 178.650 176.300 -0.167 0.000 1.070 281 M CA 2.048 57.271 55.300 -0.128 0.000 1.103 281 M CB -0.255 32.251 32.600 -0.158 0.000 1.321 281 M HN 0.325 nan 8.290 nan 0.000 0.405 282 S N 0.285 115.828 115.700 -0.262 0.000 2.359 282 S HA -0.134 4.336 4.470 0.000 0.000 0.224 282 S C 1.733 176.230 174.600 -0.171 0.000 1.035 282 S CA 1.305 59.345 58.200 -0.267 0.000 1.018 282 S CB -0.401 62.506 63.200 -0.489 0.000 0.876 282 S HN 0.525 nan 8.310 nan 0.000 0.448 283 L N 0.778 121.906 121.223 -0.158 0.000 2.141 283 L HA -0.031 4.309 4.340 0.000 0.000 0.209 283 L C 2.219 179.038 176.870 -0.084 0.000 1.094 283 L CA 0.870 55.644 54.840 -0.109 0.000 0.763 283 L CB -0.407 41.590 42.059 -0.103 0.000 0.908 283 L HN 0.340 nan 8.230 nan 0.000 0.437 284 L N -0.837 120.334 121.223 -0.086 0.000 2.240 284 L HA -0.121 4.219 4.340 0.000 0.000 0.211 284 L C 2.092 178.925 176.870 -0.062 0.000 1.106 284 L CA 0.596 55.396 54.840 -0.067 0.000 0.793 284 L CB -0.151 41.870 42.059 -0.063 0.000 0.927 284 L HN 0.255 nan 8.230 nan 0.000 0.446 285 L N -0.188 120.991 121.223 -0.074 0.000 2.599 285 L HA 0.056 4.396 4.340 0.000 0.000 0.230 285 L C 0.625 177.468 176.870 -0.046 0.000 1.141 285 L CA -0.006 54.799 54.840 -0.058 0.000 0.877 285 L CB -0.057 41.963 42.059 -0.065 0.000 1.009 285 L HN 0.291 nan 8.230 nan 0.000 0.447 286 R N -0.403 120.066 120.500 -0.050 0.000 3.878 286 R HA -0.153 4.188 4.340 0.000 0.000 0.330 286 R C -0.257 176.020 176.300 -0.038 0.000 1.186 286 R CA 0.504 56.580 56.100 -0.041 0.000 0.885 286 R CB -2.286 27.997 30.300 -0.029 0.000 1.377 286 R HN 0.437 nan 8.270 nan 0.000 0.523 287 R N 1.693 122.164 120.500 -0.049 0.000 2.401 287 R HA 0.218 4.558 4.340 0.000 0.000 0.299 287 R C -2.072 174.203 176.300 -0.042 0.000 1.064 287 R CA -1.594 54.483 56.100 -0.038 0.000 1.000 287 R CB 0.271 30.545 30.300 -0.045 0.000 0.973 287 R HN -0.125 nan 8.270 nan 0.000 0.438 288 P HA 0.062 nan 4.420 nan 0.000 0.267 288 P C -2.117 175.170 177.300 -0.021 0.000 1.205 288 P CA -0.944 62.142 63.100 -0.024 0.000 0.765 288 P CB 0.110 31.802 31.700 -0.013 0.000 0.828 289 P HA 0.181 nan 4.420 nan 0.000 0.272 289 P C 0.265 177.571 177.300 0.010 0.000 1.240 289 P CA 0.044 63.133 63.100 -0.018 0.000 0.791 289 P CB 0.849 32.526 31.700 -0.037 0.000 0.978 290 G N 0.814 109.641 108.800 0.045 0.000 3.175 290 G HA2 0.340 4.300 3.960 0.000 0.000 0.153 290 G HA3 0.340 4.300 3.960 0.000 0.000 0.153 290 G C -0.457 174.467 174.900 0.040 0.000 1.216 290 G CA -0.919 44.209 45.100 0.047 0.000 0.943 290 G HN 0.396 nan 8.290 nan 0.000 0.611 291 R N 0.538 121.045 120.500 0.012 0.000 2.638 291 R HA 0.141 4.481 4.340 0.000 0.000 0.268 291 R C 0.086 176.443 176.300 0.095 0.000 1.006 291 R CA 0.816 56.877 56.100 -0.065 0.000 1.088 291 R CB 0.106 30.158 30.300 -0.413 0.000 0.950 291 R HN 0.728 nan 8.270 nan 0.000 0.419 292 E N 1.265 121.504 120.200 0.065 0.000 2.805 292 E HA -0.353 3.997 4.350 0.000 0.000 0.266 292 E C 0.352 176.974 176.600 0.038 0.000 1.092 292 E CA 0.530 57.015 56.400 0.141 0.000 0.781 292 E CB -0.908 29.003 29.700 0.352 0.000 1.379 292 E HN 0.867 nan 8.360 nan 0.000 0.433 293 A N -2.761 120.061 122.820 0.004 0.000 3.396 293 A HA -0.307 4.013 4.320 0.000 0.000 0.267 293 A C 0.122 177.635 177.584 -0.119 0.000 1.139 293 A CA 1.732 53.718 52.037 -0.084 0.000 1.115 293 A CB -2.027 16.884 19.000 -0.149 0.000 1.133 293 A HN 0.427 nan 8.150 nan 0.000 0.920 294 Y N 0.058 120.396 120.300 0.063 0.000 2.300 294 Y HA 0.462 5.012 4.550 0.000 0.000 0.328 294 Y C -1.659 174.265 175.900 0.040 0.000 1.270 294 Y CA -1.542 56.597 58.100 0.067 0.000 1.352 294 Y CB 0.197 38.755 38.460 0.162 0.000 1.286 294 Y HN 0.135 nan 8.280 nan 0.000 0.536 295 P HA -0.009 nan 4.420 nan 0.000 0.269 295 P C 0.609 178.024 177.300 0.190 0.000 1.209 295 P CA 0.327 63.466 63.100 0.065 0.000 0.776 295 P CB 0.644 32.265 31.700 -0.132 0.000 0.876 296 G N 1.677 110.570 108.800 0.156 0.000 2.535 296 G HA2 -0.168 3.792 3.960 0.000 0.000 0.218 296 G HA3 -0.168 3.792 3.960 0.000 0.000 0.218 296 G C 0.277 175.317 174.900 0.233 0.000 1.122 296 G CA 0.346 45.554 45.100 0.180 0.000 0.769 296 G HN 0.603 nan 8.290 nan 0.000 0.549 297 D N -0.037 120.532 120.400 0.282 0.000 2.755 297 D HA 0.118 4.758 4.640 0.000 0.000 0.257 297 D C 1.427 177.928 176.300 0.335 0.000 1.291 297 D CA -0.692 53.508 54.000 0.333 0.000 0.836 297 D CB 0.275 41.294 40.800 0.365 0.000 1.059 297 D HN 0.011 nan 8.370 nan 0.000 0.486 298 V N -0.124 119.964 119.914 0.289 0.000 2.626 298 V HA -0.136 3.984 4.120 0.000 0.000 0.252 298 V C 1.641 177.719 176.094 -0.028 0.000 1.067 298 V CA 1.279 63.660 62.300 0.135 0.000 1.081 298 V CB -0.724 31.138 31.823 0.064 0.000 0.686 298 V HN 0.316 nan 8.190 nan 0.000 0.468 299 F N 0.204 120.132 119.950 -0.036 0.000 2.113 299 F HA -0.190 4.337 4.527 0.000 0.000 0.297 299 F C 2.141 177.971 175.800 0.050 0.000 1.103 299 F CA 2.314 60.297 58.000 -0.027 0.000 1.248 299 F CB -0.768 38.246 39.000 0.023 0.000 0.999 299 F HN 0.340 nan 8.300 nan 0.000 0.475 300 Y N 0.791 121.031 120.300 -0.100 0.000 2.274 300 Y HA -0.187 4.363 4.550 0.000 0.000 0.290 300 Y C 2.167 177.931 175.900 -0.226 0.000 1.145 300 Y CA 1.510 59.491 58.100 -0.198 0.000 1.203 300 Y CB -0.977 37.496 38.460 0.022 0.000 0.984 300 Y HN 0.249 nan 8.280 nan 0.000 0.533 301 L N -0.072 120.954 121.223 -0.329 0.000 1.997 301 L HA -0.319 4.021 4.340 0.000 0.000 0.216 301 L C 2.255 178.928 176.870 -0.329 0.000 1.074 301 L CA 2.585 57.151 54.840 -0.457 0.000 0.763 301 L CB -0.846 40.866 42.059 -0.579 0.000 0.890 301 L HN 0.392 nan 8.230 nan 0.000 0.434 302 H N -2.160 116.731 119.070 -0.298 0.000 2.431 302 H HA -0.011 4.545 4.556 0.000 0.000 0.295 302 H C 2.361 177.480 175.328 -0.348 0.000 1.038 302 H CA 0.771 56.624 56.048 -0.324 0.000 1.360 302 H CB 0.071 29.670 29.762 -0.271 0.000 1.433 302 H HN 0.530 nan 8.280 nan 0.000 0.536 303 S N 1.729 117.207 115.700 -0.370 0.000 2.356 303 S HA -0.230 4.240 4.470 0.000 0.000 0.223 303 S C 2.140 176.637 174.600 -0.172 0.000 1.032 303 S CA 1.197 59.173 58.200 -0.372 0.000 1.005 303 S CB -0.268 62.510 63.200 -0.704 0.000 0.867 303 S HN 0.532 nan 8.310 nan 0.000 0.449 304 R N 0.866 121.263 120.500 -0.171 0.000 2.096 304 R HA 0.016 4.356 4.340 0.000 0.000 0.235 304 R C 2.341 178.606 176.300 -0.059 0.000 1.127 304 R CA 1.400 57.438 56.100 -0.104 0.000 0.968 304 R CB -0.880 29.256 30.300 -0.273 0.000 0.861 304 R HN 0.454 nan 8.270 nan 0.000 0.440 305 L N 1.205 122.391 121.223 -0.062 0.000 1.994 305 L HA -0.037 4.303 4.340 0.000 0.000 0.208 305 L C 2.142 178.959 176.870 -0.088 0.000 1.071 305 L CA 1.641 56.426 54.840 -0.091 0.000 0.745 305 L CB -0.282 41.558 42.059 -0.364 0.000 0.892 305 L HN 0.244 nan 8.230 nan 0.000 0.431 306 L N -0.717 120.446 121.223 -0.100 0.000 2.313 306 L HA -0.054 4.286 4.340 0.000 0.000 0.214 306 L C 2.436 179.303 176.870 -0.004 0.000 1.119 306 L CA 0.442 55.261 54.840 -0.036 0.000 0.809 306 L CB -0.561 41.465 42.059 -0.055 0.000 0.933 306 L HN 0.303 nan 8.230 nan 0.000 0.449 307 E N 0.507 120.698 120.200 -0.015 0.000 2.265 307 E HA -0.190 4.160 4.350 0.000 0.000 0.196 307 E C 2.089 178.696 176.600 0.012 0.000 0.996 307 E CA 0.854 57.255 56.400 0.002 0.000 0.832 307 E CB 0.053 29.757 29.700 0.006 0.000 0.756 307 E HN 0.496 nan 8.360 nan 0.000 0.491 308 R N 0.329 120.842 120.500 0.022 0.000 2.236 308 R HA 0.094 4.434 4.340 0.000 0.000 0.208 308 R C 0.886 177.213 176.300 0.044 0.000 1.036 308 R CA 0.347 56.467 56.100 0.033 0.000 1.001 308 R CB 0.137 30.466 30.300 0.048 0.000 0.896 308 R HN -0.082 nan 8.270 nan 0.000 0.464 309 A N 1.312 124.163 122.820 0.051 0.000 2.451 309 A HA 0.582 4.902 4.320 0.000 0.000 0.266 309 A C -0.165 177.438 177.584 0.031 0.000 1.119 309 A CA 0.091 52.159 52.037 0.051 0.000 0.786 309 A CB 0.255 19.289 19.000 0.056 0.000 1.061 309 A HN 0.308 nan 8.150 nan 0.000 0.503 310 A N 2.477 125.314 122.820 0.029 0.000 2.599 310 A HA 0.740 5.060 4.320 0.000 0.000 0.290 310 A C -0.822 176.776 177.584 0.023 0.000 1.101 310 A CA -0.772 51.273 52.037 0.015 0.000 0.674 310 A CB 1.084 20.080 19.000 -0.007 0.000 1.277 310 A HN 0.876 nan 8.150 nan 0.000 0.419 311 K N 1.297 121.706 120.400 0.016 0.000 2.265 311 K HA 0.639 4.959 4.320 0.000 0.000 0.267 311 K C -0.722 175.884 176.600 0.010 0.000 0.994 311 K CA -0.301 56.004 56.287 0.031 0.000 0.860 311 K CB 0.580 33.099 32.500 0.033 0.000 1.099 311 K HN 0.584 nan 8.250 nan 0.000 0.448 312 M N 3.010 122.623 119.600 0.021 0.000 2.342 312 M HA 0.251 4.731 4.480 0.000 0.000 0.332 312 M C 0.260 176.591 176.300 0.051 0.000 1.166 312 M CA -0.881 54.425 55.300 0.009 0.000 1.086 312 M CB 0.631 33.257 32.600 0.042 0.000 1.541 312 M HN 0.798 nan 8.290 nan 0.000 0.462 313 N N 0.993 119.734 118.700 0.069 0.000 2.317 313 N HA 0.040 4.780 4.740 0.000 0.000 0.245 313 N C 0.153 175.750 175.510 0.145 0.000 1.294 313 N CA -0.095 53.020 53.050 0.109 0.000 0.924 313 N CB 0.407 38.966 38.487 0.120 0.000 1.186 313 N HN 0.430 nan 8.380 nan 0.000 0.495 314 D N -0.490 119.972 120.400 0.102 0.000 2.123 314 D HA -0.144 4.496 4.640 0.000 0.000 0.196 314 D C 1.679 178.012 176.300 0.057 0.000 0.992 314 D CA 1.955 55.996 54.000 0.070 0.000 0.833 314 D CB -0.696 40.130 40.800 0.043 0.000 0.954 314 D HN 0.721 nan 8.370 nan 0.000 0.455 315 A N -0.056 122.807 122.820 0.072 0.000 2.070 315 A HA -0.136 4.184 4.320 0.000 0.000 0.220 315 A C 1.520 178.994 177.584 -0.183 0.000 1.159 315 A CA 0.850 52.861 52.037 -0.042 0.000 0.656 315 A CB -0.649 18.333 19.000 -0.030 0.000 0.800 315 A HN 0.158 nan 8.150 nan 0.000 0.453 316 F N -1.198 118.742 119.950 -0.016 0.000 2.641 316 F HA 0.391 4.919 4.527 0.000 0.000 0.302 316 F C 1.731 177.509 175.800 -0.037 0.000 1.098 316 F CA 0.541 58.526 58.000 -0.025 0.000 1.318 316 F CB 0.447 39.435 39.000 -0.019 0.000 1.035 316 F HN 0.338 nan 8.300 nan 0.000 0.551 317 G N -0.527 108.312 108.800 0.065 0.000 2.179 317 G HA2 -0.120 3.840 3.960 0.000 0.000 0.220 317 G HA3 -0.120 3.840 3.960 0.000 0.000 0.220 317 G C 1.292 176.202 174.900 0.016 0.000 0.990 317 G CA -0.091 45.017 45.100 0.013 0.000 0.646 317 G HN 0.985 nan 8.290 nan 0.000 0.517 318 G N -0.607 108.226 108.800 0.054 0.000 2.196 318 G HA2 0.117 4.077 3.960 0.000 0.000 0.268 318 G HA3 0.117 4.077 3.960 0.000 0.000 0.268 318 G C 1.575 176.478 174.900 0.005 0.000 0.975 318 G CA 1.270 46.400 45.100 0.050 0.000 0.648 318 G HN 2.110 nan 8.290 nan 0.000 0.538 319 G N -0.594 108.151 108.800 -0.091 0.000 2.611 319 G HA2 0.721 4.681 3.960 0.000 0.000 0.273 319 G HA3 0.721 4.681 3.960 0.000 0.000 0.273 319 G C 0.338 175.181 174.900 -0.095 0.000 1.305 319 G CA 1.067 45.998 45.100 -0.280 0.000 1.010 319 G HN 1.886 nan 8.290 nan 0.000 0.509 320 S N -2.046 113.617 115.700 -0.062 0.000 2.611 320 S HA 0.614 5.084 4.470 0.000 0.000 0.268 320 S C -1.657 173.006 174.600 0.105 0.000 1.156 320 S CA -0.793 57.462 58.200 0.091 0.000 0.817 320 S CB 1.802 65.127 63.200 0.208 0.000 1.122 320 S HN 1.330 nan 8.310 nan 0.000 0.466 321 L N 1.007 122.284 121.223 0.090 0.000 2.439 321 L HA 0.759 5.099 4.340 0.000 0.000 0.270 321 L C -1.037 175.867 176.870 0.056 0.000 0.972 321 L CA 0.221 55.111 54.840 0.082 0.000 0.836 321 L CB 2.007 44.117 42.059 0.084 0.000 1.255 321 L HN 0.928 nan 8.230 nan 0.000 0.404 322 T N 4.244 118.821 114.554 0.038 0.000 2.794 322 T HA 0.867 5.217 4.350 0.000 0.000 0.280 322 T C -0.417 174.274 174.700 -0.015 0.000 0.987 322 T CA -0.201 61.908 62.100 0.014 0.000 0.993 322 T CB 1.438 70.309 68.868 0.005 0.000 0.939 322 T HN 0.812 nan 8.240 nan 0.000 0.449 323 A N 3.358 126.171 122.820 -0.011 0.000 2.342 323 A HA 0.807 5.127 4.320 0.000 0.000 0.323 323 A C -0.651 176.913 177.584 -0.032 0.000 1.125 323 A CA -0.771 51.239 52.037 -0.045 0.000 0.785 323 A CB 0.725 19.757 19.000 0.054 0.000 1.221 323 A HN 0.854 nan 8.150 nan 0.000 0.463 324 L N 3.891 125.068 121.223 -0.077 0.000 2.457 324 L HA 0.332 4.672 4.340 0.000 0.000 0.252 324 L C -2.404 174.444 176.870 -0.036 0.000 1.132 324 L CA -1.707 53.108 54.840 -0.041 0.000 0.938 324 L CB 1.302 43.340 42.059 -0.036 0.000 1.246 324 L HN 0.484 nan 8.230 nan 0.000 0.476 325 P HA 0.148 nan 4.420 nan 0.000 0.272 325 P C -0.509 176.791 177.300 -0.000 0.000 1.223 325 P CA -0.132 63.013 63.100 0.075 0.000 0.784 325 P CB 2.057 33.775 31.700 0.031 0.000 0.923 326 V N 3.756 123.660 119.914 -0.018 0.000 2.495 326 V HA 0.423 4.544 4.120 0.000 0.000 0.298 326 V C 0.281 176.355 176.094 -0.034 0.000 1.031 326 V CA -0.599 61.691 62.300 -0.016 0.000 0.871 326 V CB 1.788 33.606 31.823 -0.007 0.000 0.988 326 V HN 0.426 nan 8.190 nan 0.000 0.432 327 I N 3.182 123.745 120.570 -0.011 0.000 2.545 327 I HA 0.441 4.611 4.170 0.000 0.000 0.292 327 I C -0.101 176.032 176.117 0.027 0.000 1.040 327 I CA -0.440 60.855 61.300 -0.008 0.000 1.068 327 I CB 2.227 40.216 38.000 -0.019 0.000 1.251 327 I HN 0.757 nan 8.210 nan 0.000 0.424 328 E N 4.627 124.848 120.200 0.034 0.000 2.115 328 E HA 0.345 4.695 4.350 0.000 0.000 0.282 328 E C -0.337 176.302 176.600 0.064 0.000 0.987 328 E CA -0.378 56.050 56.400 0.047 0.000 0.797 328 E CB 1.050 30.776 29.700 0.043 0.000 1.086 328 E HN 0.712 nan 8.360 nan 0.000 0.397 329 T N 1.842 116.448 114.554 0.087 0.000 2.824 329 T HA 0.313 4.663 4.350 0.000 0.000 0.277 329 T C 0.023 174.775 174.700 0.087 0.000 0.975 329 T CA -0.927 61.232 62.100 0.099 0.000 0.966 329 T CB 1.314 70.274 68.868 0.152 0.000 1.054 329 T HN 0.332 nan 8.240 nan 0.000 0.533 330 Q N -0.016 119.836 119.800 0.087 0.000 2.330 330 Q HA 0.548 4.888 4.340 0.000 0.000 0.269 330 Q C 0.288 176.335 176.000 0.079 0.000 1.022 330 Q CA -0.205 55.643 55.803 0.076 0.000 0.796 330 Q CB 1.512 30.295 28.738 0.074 0.000 1.271 330 Q HN 1.239 nan 8.270 nan 0.000 0.450 331 A N 2.073 124.937 122.820 0.073 0.000 2.799 331 A HA -0.182 4.138 4.320 0.000 0.000 0.287 331 A C 1.119 178.763 177.584 0.099 0.000 1.484 331 A CA 1.672 53.754 52.037 0.075 0.000 0.813 331 A CB -2.127 16.911 19.000 0.064 0.000 1.009 331 A HN 1.649 nan 8.150 nan 0.000 0.545 332 G N -1.416 107.463 108.800 0.131 0.000 2.155 332 G HA2 -0.215 3.745 3.960 0.000 0.000 0.257 332 G HA3 -0.215 3.745 3.960 0.000 0.000 0.257 332 G C -0.047 174.973 174.900 0.200 0.000 0.983 332 G CA 1.015 46.245 45.100 0.218 0.000 0.676 332 G HN 1.582 nan 8.290 nan 0.000 0.528 333 D N 0.294 120.764 120.400 0.118 0.000 2.483 333 D HA 0.428 5.068 4.640 0.000 0.000 0.220 333 D C 1.374 177.675 176.300 0.001 0.000 1.173 333 D CA 0.131 54.165 54.000 0.057 0.000 0.964 333 D CB 0.792 41.625 40.800 0.055 0.000 1.046 333 D HN 0.062 nan 8.370 nan 0.000 0.517 334 V N 2.963 122.811 119.914 -0.111 0.000 2.809 334 V HA -0.116 4.004 4.120 0.000 0.000 0.256 334 V C 1.747 177.739 176.094 -0.170 0.000 1.080 334 V CA 2.005 64.138 62.300 -0.278 0.000 1.102 334 V CB -0.135 31.195 31.823 -0.822 0.000 0.705 334 V HN 0.625 nan 8.190 nan 0.000 0.475 335 S N -0.240 115.400 115.700 -0.100 0.000 2.597 335 S HA 0.482 4.952 4.470 0.000 0.000 0.224 335 S C 0.753 175.355 174.600 0.003 0.000 0.955 335 S CA 0.228 58.397 58.200 -0.052 0.000 0.933 335 S CB 0.094 63.268 63.200 -0.043 0.000 0.788 335 S HN 0.591 nan 8.310 nan 0.000 0.488 336 A N 1.090 123.921 122.820 0.019 0.000 2.327 336 A HA 0.469 4.789 4.320 0.000 0.000 0.255 336 A C 0.819 178.466 177.584 0.106 0.000 1.099 336 A CA -0.281 51.800 52.037 0.074 0.000 0.801 336 A CB -0.274 18.775 19.000 0.081 0.000 1.062 336 A HN 0.449 nan 8.150 nan 0.000 0.496 337 Y N 0.625 120.933 120.300 0.013 0.000 2.114 337 Y HA -0.205 4.345 4.550 0.000 0.000 0.284 337 Y C 1.818 177.719 175.900 0.002 0.000 1.143 337 Y CA 2.172 60.278 58.100 0.011 0.000 1.135 337 Y CB -0.150 38.326 38.460 0.027 0.000 0.980 337 Y HN 0.462 nan 8.280 nan 0.000 0.499 338 I N 0.798 121.246 120.570 -0.203 0.000 2.142 338 I HA -0.183 3.987 4.170 0.000 0.000 0.240 338 I C -0.308 175.711 176.117 -0.162 0.000 1.078 338 I CA 1.455 62.560 61.300 -0.326 0.000 1.343 338 I CB -2.720 35.139 38.000 -0.235 0.000 1.046 338 I HN 0.185 nan 8.210 nan 0.000 0.405 339 P HA -0.167 nan 4.420 nan 0.000 0.216 339 P C 1.774 179.043 177.300 -0.052 0.000 1.157 339 P CA 2.521 65.593 63.100 -0.048 0.000 0.880 339 P CB -0.327 31.354 31.700 -0.033 0.000 0.791 340 T N -3.998 110.527 114.554 -0.049 0.000 2.867 340 T HA -0.093 4.257 4.350 0.000 0.000 0.268 340 T C 1.722 176.413 174.700 -0.014 0.000 1.057 340 T CA 1.083 63.165 62.100 -0.030 0.000 1.136 340 T CB -1.106 67.756 68.868 -0.010 0.000 0.874 340 T HN -0.039 nan 8.240 nan 0.000 0.466 341 N N 1.530 120.198 118.700 -0.053 0.000 2.061 341 N HA -0.075 4.665 4.740 0.000 0.000 0.193 341 N C 1.949 177.541 175.510 0.136 0.000 1.030 341 N CA 1.375 54.453 53.050 0.048 0.000 0.856 341 N CB -0.759 37.707 38.487 -0.035 0.000 1.023 341 N HN 0.386 nan 8.380 nan 0.000 0.424 342 V N 1.242 121.184 119.914 0.047 0.000 2.379 342 V HA -0.094 4.026 4.120 0.000 0.000 0.245 342 V C 2.266 178.374 176.094 0.025 0.000 1.044 342 V CA 0.931 63.245 62.300 0.024 0.000 1.036 342 V CB -0.426 31.369 31.823 -0.047 0.000 0.664 342 V HN 0.204 nan 8.190 nan 0.000 0.453 343 I N 1.644 122.222 120.570 0.013 0.000 2.248 343 I HA -0.259 3.911 4.170 0.000 0.000 0.248 343 I C 2.533 178.674 176.117 0.040 0.000 1.107 343 I CA 2.007 63.314 61.300 0.012 0.000 1.373 343 I CB -0.393 37.599 38.000 -0.014 0.000 1.055 343 I HN 0.498 nan 8.210 nan 0.000 0.418 344 S N -0.040 115.704 115.700 0.073 0.000 2.603 344 S HA 0.051 4.521 4.470 0.000 0.000 0.229 344 S C 1.585 176.286 174.600 0.168 0.000 0.972 344 S CA 0.482 58.747 58.200 0.108 0.000 0.935 344 S CB -0.374 62.890 63.200 0.106 0.000 0.769 344 S HN 0.461 nan 8.310 nan 0.000 0.536 345 I N 1.405 122.057 120.570 0.135 0.000 3.300 345 I HA 0.073 4.243 4.170 0.000 0.000 0.279 345 I C 1.391 177.537 176.117 0.048 0.000 1.172 345 I CA 0.559 61.917 61.300 0.098 0.000 1.431 345 I CB -0.143 37.870 38.000 0.022 0.000 1.240 345 I HN 0.343 nan 8.210 nan 0.000 0.453 346 T N -1.689 112.884 114.554 0.032 0.000 2.788 346 T HA 0.108 4.458 4.350 0.000 0.000 0.287 346 T C 0.254 174.969 174.700 0.025 0.000 1.007 346 T CA -0.483 61.630 62.100 0.021 0.000 1.005 346 T CB 0.740 69.615 68.868 0.013 0.000 1.012 346 T HN 0.002 nan 8.240 nan 0.000 0.530 347 D N 0.922 121.335 120.400 0.021 0.000 2.881 347 D HA 0.427 5.067 4.640 0.000 0.000 0.240 347 D C 0.929 177.240 176.300 0.019 0.000 1.249 347 D CA 0.412 54.424 54.000 0.020 0.000 0.839 347 D CB -0.464 40.346 40.800 0.017 0.000 1.042 347 D HN 1.003 nan 8.370 nan 0.000 0.475 348 G N 1.015 109.827 108.800 0.020 0.000 2.347 348 G HA2 0.206 4.166 3.960 0.000 0.000 0.477 348 G HA3 0.206 4.166 3.960 0.000 0.000 0.477 348 G C -1.787 173.128 174.900 0.026 0.000 1.349 348 G CA -0.968 44.145 45.100 0.022 0.000 1.000 348 G HN 0.136 nan 8.290 nan 0.000 0.605 349 Q N -0.762 119.059 119.800 0.035 0.000 2.391 349 Q HA 0.631 4.971 4.340 0.000 0.000 0.279 349 Q C -1.591 174.453 176.000 0.074 0.000 1.028 349 Q CA -0.924 54.908 55.803 0.049 0.000 0.836 349 Q CB 1.666 30.431 28.738 0.046 0.000 1.414 349 Q HN 0.951 nan 8.270 nan 0.000 0.397 350 I N 2.473 123.095 120.570 0.086 0.000 2.330 350 I HA 0.321 4.491 4.170 0.000 0.000 0.286 350 I C -0.819 175.397 176.117 0.166 0.000 1.025 350 I CA -0.741 60.619 61.300 0.100 0.000 1.197 350 I CB 0.691 38.726 38.000 0.059 0.000 1.358 350 I HN 0.469 nan 8.210 nan 0.000 0.467 351 F N 8.208 128.165 119.950 0.011 0.000 2.404 351 F HA 0.543 5.070 4.527 0.000 0.000 0.358 351 F C -0.693 175.115 175.800 0.014 0.000 1.120 351 F CA -0.804 57.202 58.000 0.010 0.000 1.144 351 F CB 0.573 39.581 39.000 0.013 0.000 1.133 351 F HN 0.194 nan 8.300 nan 0.000 0.495 352 L N 5.564 126.504 121.223 -0.472 0.000 2.309 352 L HA 0.526 4.866 4.340 0.000 0.000 0.282 352 L C -0.419 176.014 176.870 -0.727 0.000 1.036 352 L CA -0.664 53.898 54.840 -0.462 0.000 0.806 352 L CB 1.755 43.690 42.059 -0.207 0.000 1.220 352 L HN 0.555 nan 8.230 nan 0.000 0.429 353 E N -0.149 119.748 120.200 -0.504 0.000 2.238 353 E HA 0.200 4.550 4.350 0.000 0.000 0.267 353 E C 0.475 176.976 176.600 -0.165 0.000 0.887 353 E CA -0.294 55.872 56.400 -0.391 0.000 0.769 353 E CB 2.133 31.627 29.700 -0.345 0.000 1.187 353 E HN 0.725 nan 8.360 nan 0.000 0.416 354 T N 0.300 114.790 114.554 -0.106 0.000 2.777 354 T HA -0.191 4.160 4.350 0.000 0.000 0.266 354 T C 1.489 176.248 174.700 0.098 0.000 1.040 354 T CA 1.503 63.577 62.100 -0.044 0.000 1.141 354 T CB -0.027 68.856 68.868 0.025 0.000 0.868 354 T HN 0.591 nan 8.240 nan 0.000 0.444 355 E N 0.733 120.998 120.200 0.108 0.000 2.118 355 E HA -0.105 4.245 4.350 0.000 0.000 0.195 355 E C 2.220 178.891 176.600 0.117 0.000 0.992 355 E CA 1.097 57.583 56.400 0.143 0.000 0.804 355 E CB -0.305 29.451 29.700 0.093 0.000 0.741 355 E HN 0.615 nan 8.360 nan 0.000 0.458 356 L N -0.114 121.146 121.223 0.062 0.000 2.109 356 L HA -0.102 4.238 4.340 0.000 0.000 0.207 356 L C 2.441 179.333 176.870 0.036 0.000 1.086 356 L CA 0.846 55.710 54.840 0.040 0.000 0.760 356 L CB -0.465 41.598 42.059 0.007 0.000 0.910 356 L HN 0.209 nan 8.230 nan 0.000 0.437 357 F N 0.057 119.916 119.950 -0.152 0.000 2.095 357 F HA -0.296 4.231 4.527 0.000 0.000 0.298 357 F C 2.262 177.906 175.800 -0.260 0.000 1.104 357 F CA 1.691 59.535 58.000 -0.260 0.000 1.232 357 F CB -0.309 38.437 39.000 -0.424 0.000 0.987 357 F HN -0.058 nan 8.300 nan 0.000 0.475 358 Y N -0.171 120.236 120.300 0.179 0.000 2.457 358 Y HA -0.048 4.502 4.550 0.000 0.000 0.292 358 Y C 2.126 178.023 175.900 -0.006 0.000 1.125 358 Y CA 0.690 58.833 58.100 0.071 0.000 1.254 358 Y CB -0.221 38.312 38.460 0.122 0.000 1.012 358 Y HN -0.060 nan 8.280 nan 0.000 0.555 359 K N -0.349 120.125 120.400 0.124 0.000 2.504 359 K HA 0.016 4.336 4.320 0.000 0.000 0.195 359 K C 1.348 177.950 176.600 0.005 0.000 1.036 359 K CA 0.763 57.089 56.287 0.064 0.000 0.984 359 K CB -0.106 32.428 32.500 0.057 0.000 0.788 359 K HN 0.450 nan 8.250 nan 0.000 0.488 360 G N 0.922 109.684 108.800 -0.064 0.000 2.176 360 G HA2 -0.176 3.784 3.960 0.000 0.000 0.232 360 G HA3 -0.176 3.784 3.960 0.000 0.000 0.232 360 G C -0.005 174.831 174.900 -0.107 0.000 0.986 360 G CA -0.370 44.665 45.100 -0.109 0.000 0.643 360 G HN 0.121 nan 8.290 nan 0.000 0.522 361 I N 2.174 122.696 120.570 -0.080 0.000 2.293 361 I HA 0.372 4.542 4.170 0.000 0.000 0.299 361 I C 0.699 176.766 176.117 -0.083 0.000 1.153 361 I CA 0.219 61.488 61.300 -0.051 0.000 1.302 361 I CB -0.549 37.446 38.000 -0.009 0.000 1.460 361 I HN 0.160 nan 8.210 nan 0.000 0.552 362 R N 6.976 127.414 120.500 -0.103 0.000 2.538 362 R HA 0.415 4.755 4.340 0.000 0.000 0.292 362 R C -2.673 173.587 176.300 -0.067 0.000 1.008 362 R CA -1.745 54.290 56.100 -0.108 0.000 0.896 362 R CB 2.427 32.592 30.300 -0.226 0.000 1.187 362 R HN 0.199 nan 8.270 nan 0.000 0.440 363 P HA -0.063 nan 4.420 nan 0.000 0.265 363 P C -0.177 177.119 177.300 -0.007 0.000 1.187 363 P CA 0.083 63.174 63.100 -0.015 0.000 0.766 363 P CB 0.646 32.341 31.700 -0.009 0.000 0.820 364 A N 4.672 127.504 122.820 0.020 0.000 3.033 364 A HA 0.184 4.504 4.320 0.000 0.000 0.250 364 A C 0.758 178.313 177.584 -0.047 0.000 1.633 364 A CA -0.406 51.633 52.037 0.003 0.000 1.290 364 A CB -1.415 17.628 19.000 0.072 0.000 1.048 364 A HN 0.482 nan 8.150 nan 0.000 0.648 365 I N 1.430 121.985 120.570 -0.025 0.000 2.436 365 I HA 0.008 4.178 4.170 0.000 0.000 0.289 365 I C 0.582 176.700 176.117 0.001 0.000 1.083 365 I CA -0.316 60.974 61.300 -0.017 0.000 1.372 365 I CB 0.412 38.420 38.000 0.013 0.000 1.408 365 I HN 0.383 nan 8.210 nan 0.000 0.516 366 N N 6.717 125.416 118.700 -0.002 0.000 2.399 366 N HA 0.045 4.785 4.740 0.000 0.000 0.259 366 N C 0.826 176.402 175.510 0.110 0.000 1.160 366 N CA 0.008 53.102 53.050 0.074 0.000 0.946 366 N CB 1.373 39.961 38.487 0.168 0.000 1.156 366 N HN 0.418 nan 8.380 nan 0.000 0.489 367 V N 4.101 124.066 119.914 0.085 0.000 2.295 367 V HA -0.168 3.952 4.120 0.000 0.000 0.246 367 V C 2.375 178.518 176.094 0.081 0.000 1.049 367 V CA 2.284 64.631 62.300 0.079 0.000 1.024 367 V CB -0.968 30.901 31.823 0.076 0.000 0.648 367 V HN 0.758 nan 8.190 nan 0.000 0.447 368 G N -0.591 108.258 108.800 0.081 0.000 2.443 368 G HA2 -0.128 3.832 3.960 0.000 0.000 0.219 368 G HA3 -0.128 3.832 3.960 0.000 0.000 0.219 368 G C 1.475 176.416 174.900 0.068 0.000 1.131 368 G CA 0.526 45.664 45.100 0.065 0.000 0.775 368 G HN 0.493 nan 8.290 nan 0.000 0.547 369 L N 0.796 122.082 121.223 0.105 0.000 2.567 369 L HA 0.196 4.536 4.340 0.000 0.000 0.225 369 L C 0.632 177.561 176.870 0.098 0.000 1.119 369 L CA -0.132 54.763 54.840 0.091 0.000 0.871 369 L CB 0.180 42.315 42.059 0.126 0.000 1.036 369 L HN 0.023 nan 8.230 nan 0.000 0.459 370 S N 0.272 116.044 115.700 0.119 0.000 2.541 370 S HA 0.584 5.054 4.470 0.000 0.000 0.283 370 S C -0.202 174.435 174.600 0.061 0.000 1.196 370 S CA -0.585 57.676 58.200 0.102 0.000 1.062 370 S CB 2.211 65.476 63.200 0.109 0.000 1.009 370 S HN 0.086 nan 8.310 nan 0.000 0.502 371 V N -0.376 119.566 119.914 0.048 0.000 3.188 371 V HA 0.938 5.058 4.120 0.000 0.000 0.305 371 V C -0.661 175.450 176.094 0.030 0.000 1.232 371 V CA -0.820 61.500 62.300 0.034 0.000 1.043 371 V CB 1.817 33.655 31.823 0.024 0.000 1.068 371 V HN 0.762 nan 8.190 nan 0.000 0.439 372 S N 1.171 116.885 115.700 0.024 0.000 2.502 372 S HA 0.591 5.061 4.470 0.000 0.000 0.304 372 S C 0.292 174.902 174.600 0.016 0.000 1.097 372 S CA -0.811 57.401 58.200 0.019 0.000 1.045 372 S CB 1.882 65.092 63.200 0.017 0.000 1.019 372 S HN 0.867 nan 8.310 nan 0.000 0.481 373 R N 3.185 123.693 120.500 0.015 0.000 2.359 373 R HA 0.206 4.546 4.340 0.000 0.000 0.231 373 R C 0.653 176.959 176.300 0.011 0.000 0.913 373 R CA 0.210 56.318 56.100 0.013 0.000 1.075 373 R CB 0.106 30.415 30.300 0.015 0.000 1.087 373 R HN 0.511 nan 8.270 nan 0.000 0.515 374 V N -0.501 119.419 119.914 0.009 0.000 3.212 374 V HA 0.186 4.306 4.120 0.000 0.000 0.244 374 V C 1.345 177.441 176.094 0.005 0.000 1.151 374 V CA 0.950 63.253 62.300 0.006 0.000 1.119 374 V CB 0.306 32.131 31.823 0.003 0.000 0.838 374 V HN 0.599 nan 8.190 nan 0.000 0.470 375 G N 1.452 110.255 108.800 0.006 0.000 2.552 375 G HA2 -0.368 3.592 3.960 0.000 0.000 0.265 375 G HA3 -0.368 3.592 3.960 0.000 0.000 0.265 375 G C 1.067 175.969 174.900 0.003 0.000 1.234 375 G CA 0.911 46.014 45.100 0.006 0.000 0.944 375 G HN 0.999 nan 8.290 nan 0.000 0.568 376 S N 0.138 115.840 115.700 0.003 0.000 2.507 376 S HA 0.255 4.725 4.470 0.000 0.000 0.235 376 S C 2.488 177.087 174.600 -0.002 0.000 0.988 376 S CA 1.585 59.786 58.200 0.002 0.000 0.944 376 S CB -0.306 62.896 63.200 0.003 0.000 0.762 376 S HN 2.114 nan 8.310 nan 0.000 0.526 377 A N 1.168 123.987 122.820 -0.002 0.000 2.070 377 A HA 0.429 4.750 4.320 0.000 0.000 0.220 377 A C 2.123 179.701 177.584 -0.011 0.000 1.159 377 A CA 1.196 53.230 52.037 -0.005 0.000 0.656 377 A CB -0.851 18.147 19.000 -0.003 0.000 0.800 377 A HN 0.940 nan 8.150 nan 0.000 0.453 378 A N -1.209 121.604 122.820 -0.011 0.000 2.423 378 A HA 0.390 4.710 4.320 0.000 0.000 0.246 378 A C 0.582 178.154 177.584 -0.021 0.000 1.278 378 A CA -0.242 51.783 52.037 -0.020 0.000 0.903 378 A CB 0.025 19.015 19.000 -0.016 0.000 0.997 378 A HN 0.587 nan 8.150 nan 0.000 0.510 379 Q N 0.288 120.080 119.800 -0.014 0.000 2.348 379 Q HA 0.452 4.792 4.340 0.000 0.000 0.271 379 Q C -0.120 175.873 176.000 -0.012 0.000 1.067 379 Q CA -0.648 55.149 55.803 -0.011 0.000 0.839 379 Q CB 1.736 30.474 28.738 -0.000 0.000 1.354 379 Q HN 0.444 nan 8.270 nan 0.000 0.447 380 T N -1.627 112.921 114.554 -0.011 0.000 2.802 380 T HA 0.134 4.484 4.350 0.000 0.000 0.305 380 T C 0.983 175.683 174.700 0.000 0.000 1.053 380 T CA -0.342 61.752 62.100 -0.010 0.000 1.058 380 T CB 0.733 69.597 68.868 -0.007 0.000 0.988 380 T HN 0.578 nan 8.240 nan 0.000 0.539 381 R N 0.910 121.411 120.500 0.001 0.000 2.105 381 R HA -0.094 4.246 4.340 0.000 0.000 0.239 381 R C 2.787 179.097 176.300 0.017 0.000 1.135 381 R CA 1.331 57.436 56.100 0.008 0.000 0.967 381 R CB -0.958 29.346 30.300 0.008 0.000 0.861 381 R HN 0.826 nan 8.270 nan 0.000 0.442 382 A N 1.092 123.923 122.820 0.019 0.000 1.902 382 A HA -0.207 4.113 4.320 0.000 0.000 0.217 382 A C 2.130 179.737 177.584 0.039 0.000 1.181 382 A CA 1.502 53.557 52.037 0.031 0.000 0.623 382 A CB -0.355 18.659 19.000 0.023 0.000 0.818 382 A HN 0.238 nan 8.150 nan 0.000 0.443 383 M N 0.175 119.792 119.600 0.029 0.000 2.132 383 M HA -0.074 4.406 4.480 0.000 0.000 0.263 383 M C 1.938 178.254 176.300 0.028 0.000 1.065 383 M CA 2.338 57.656 55.300 0.031 0.000 1.122 383 M CB -0.451 32.163 32.600 0.023 0.000 1.365 383 M HN 0.409 nan 8.290 nan 0.000 0.411 384 K N -0.463 119.949 120.400 0.021 0.000 2.057 384 K HA -0.210 4.110 4.320 0.000 0.000 0.207 384 K C 1.933 178.546 176.600 0.021 0.000 1.049 384 K CA 1.926 58.223 56.287 0.017 0.000 0.931 384 K CB -0.223 32.284 32.500 0.011 0.000 0.714 384 K HN 0.561 nan 8.250 nan 0.000 0.440 385 Q N 0.055 119.873 119.800 0.030 0.000 2.124 385 Q HA -0.135 4.205 4.340 0.000 0.000 0.202 385 Q C 2.087 178.111 176.000 0.040 0.000 0.977 385 Q CA 1.894 57.719 55.803 0.037 0.000 0.850 385 Q CB 0.034 28.805 28.738 0.055 0.000 0.901 385 Q HN 0.444 nan 8.270 nan 0.000 0.429 386 V N -4.247 115.698 119.914 0.052 0.000 3.307 386 V HA 0.304 4.424 4.120 0.000 0.000 0.253 386 V C 1.571 177.674 176.094 0.015 0.000 1.149 386 V CA 0.979 63.305 62.300 0.043 0.000 1.112 386 V CB 0.121 31.997 31.823 0.088 0.000 0.777 386 V HN 0.179 nan 8.190 nan 0.000 0.464 387 A N 0.662 123.493 122.820 0.017 0.000 2.348 387 A HA 0.500 4.820 4.320 0.000 0.000 0.224 387 A C 2.116 179.702 177.584 0.004 0.000 1.227 387 A CA 0.756 52.798 52.037 0.009 0.000 0.885 387 A CB -0.642 18.367 19.000 0.015 0.000 0.933 387 A HN 0.642 nan 8.150 nan 0.000 0.506 388 G N 1.141 109.942 108.800 0.003 0.000 2.759 388 G HA2 -0.390 3.570 3.960 0.000 0.000 0.224 388 G HA3 -0.390 3.570 3.960 0.000 0.000 0.224 388 G C 1.466 176.366 174.900 -0.001 0.000 1.173 388 G CA 2.159 47.259 45.100 0.001 0.000 0.770 388 G HN 0.965 nan 8.290 nan 0.000 0.626 389 T N -2.913 111.637 114.554 -0.006 0.000 3.129 389 T HA 0.441 4.791 4.350 0.000 0.000 0.267 389 T C 1.876 176.573 174.700 -0.005 0.000 1.018 389 T CA 0.579 62.676 62.100 -0.006 0.000 0.903 389 T CB 0.328 69.190 68.868 -0.011 0.000 1.067 389 T HN 0.215 nan 8.240 nan 0.000 0.549 390 M N 0.875 120.472 119.600 -0.006 0.000 2.229 390 M HA 0.102 4.582 4.480 0.000 0.000 0.264 390 M C 2.342 178.647 176.300 0.009 0.000 1.063 390 M CA 1.338 56.634 55.300 -0.007 0.000 1.114 390 M CB -0.118 32.476 32.600 -0.010 0.000 1.387 390 M HN 0.184 nan 8.290 nan 0.000 0.420 391 K N 0.464 120.872 120.400 0.015 0.000 2.002 391 K HA -0.159 4.162 4.320 0.000 0.000 0.209 391 K C 1.788 178.407 176.600 0.032 0.000 1.048 391 K CA 1.512 57.815 56.287 0.026 0.000 0.930 391 K CB -0.266 32.249 32.500 0.025 0.000 0.714 391 K HN 0.373 nan 8.250 nan 0.000 0.438 392 L N 0.812 122.049 121.223 0.024 0.000 2.042 392 L HA -0.210 4.130 4.340 0.000 0.000 0.210 392 L C 2.662 179.554 176.870 0.036 0.000 1.076 392 L CA 1.568 56.423 54.840 0.026 0.000 0.749 392 L CB -0.566 41.502 42.059 0.016 0.000 0.893 392 L HN 0.413 nan 8.230 nan 0.000 0.432 393 E N 0.931 121.149 120.200 0.030 0.000 2.038 393 E HA -0.251 4.100 4.350 0.000 0.000 0.195 393 E C 2.344 178.995 176.600 0.085 0.000 1.000 393 E CA 1.401 57.824 56.400 0.039 0.000 0.803 393 E CB -0.134 29.570 29.700 0.008 0.000 0.750 393 E HN 0.456 nan 8.360 nan 0.000 0.448 394 L N 0.342 121.615 121.223 0.084 0.000 2.131 394 L HA -0.168 4.172 4.340 0.000 0.000 0.210 394 L C 2.678 179.653 176.870 0.176 0.000 1.092 394 L CA 1.011 55.946 54.840 0.158 0.000 0.759 394 L CB -0.459 41.667 42.059 0.112 0.000 0.903 394 L HN 0.267 nan 8.230 nan 0.000 0.435 395 A N -0.926 121.954 122.820 0.100 0.000 1.897 395 A HA -0.174 4.147 4.320 0.000 0.000 0.215 395 A C 2.263 179.878 177.584 0.051 0.000 1.181 395 A CA 1.009 53.086 52.037 0.067 0.000 0.620 395 A CB -0.296 18.731 19.000 0.045 0.000 0.821 395 A HN 0.353 nan 8.150 nan 0.000 0.443 396 Q N -1.499 118.338 119.800 0.062 0.000 2.124 396 Q HA -0.192 4.148 4.340 0.000 0.000 0.202 396 Q C 1.937 177.981 176.000 0.073 0.000 0.977 396 Q CA 1.789 57.622 55.803 0.050 0.000 0.850 396 Q CB -0.485 28.280 28.738 0.044 0.000 0.901 396 Q HN 0.884 nan 8.270 nan 0.000 0.429 397 Y N 1.778 122.084 120.300 0.010 0.000 2.114 397 Y HA -0.215 4.335 4.550 0.000 0.000 0.284 397 Y C 2.182 178.097 175.900 0.025 0.000 1.143 397 Y CA 1.597 59.706 58.100 0.015 0.000 1.135 397 Y CB -0.214 38.251 38.460 0.007 0.000 0.980 397 Y HN -0.062 nan 8.280 nan 0.000 0.499 398 R N 0.603 120.893 120.500 -0.350 0.000 2.096 398 R HA -0.205 4.135 4.340 0.000 0.000 0.240 398 R C 2.232 178.398 176.300 -0.223 0.000 1.139 398 R CA 1.609 57.474 56.100 -0.392 0.000 0.952 398 R CB -0.981 29.237 30.300 -0.136 0.000 0.854 398 R HN 0.503 nan 8.270 nan 0.000 0.436 399 E N 1.008 121.146 120.200 -0.103 0.000 2.058 399 E HA -0.137 4.213 4.350 0.000 0.000 0.194 399 E C 1.994 178.580 176.600 -0.023 0.000 0.997 399 E CA 1.474 57.843 56.400 -0.051 0.000 0.801 399 E CB -0.014 29.662 29.700 -0.039 0.000 0.746 399 E HN 0.105 nan 8.360 nan 0.000 0.450 400 V N 1.378 121.276 119.914 -0.026 0.000 2.515 400 V HA -0.201 3.919 4.120 0.000 0.000 0.250 400 V C 2.627 178.732 176.094 0.020 0.000 1.058 400 V CA 1.589 63.919 62.300 0.049 0.000 1.064 400 V CB -0.939 30.922 31.823 0.064 0.000 0.675 400 V HN 0.344 nan 8.190 nan 0.000 0.461 401 A N 0.212 122.947 122.820 -0.142 0.000 1.902 401 A HA -0.084 4.236 4.320 0.000 0.000 0.217 401 A C 2.416 179.962 177.584 -0.064 0.000 1.181 401 A CA 2.045 53.992 52.037 -0.150 0.000 0.623 401 A CB -0.661 18.105 19.000 -0.391 0.000 0.818 401 A HN 0.553 nan 8.150 nan 0.000 0.443 402 A N -1.347 121.445 122.820 -0.046 0.000 1.897 402 A HA 0.074 4.394 4.320 0.000 0.000 0.215 402 A C 2.025 179.652 177.584 0.071 0.000 1.181 402 A CA 1.465 53.505 52.037 0.006 0.000 0.620 402 A CB -0.654 18.353 19.000 0.011 0.000 0.821 402 A HN 0.597 nan 8.150 nan 0.000 0.443 403 F N 1.244 121.167 119.950 -0.046 0.000 2.051 403 F HA 0.195 4.722 4.527 0.000 0.000 0.296 403 F C 1.757 177.544 175.800 -0.021 0.000 1.122 403 F CA 0.319 58.302 58.000 -0.028 0.000 1.201 403 F CB -0.871 38.114 39.000 -0.024 0.000 0.978 403 F HN 0.299 nan 8.300 nan 0.000 0.472 410 L N 1.688 122.911 121.223 0.001 0.000 2.742 410 L HA 0.002 4.343 4.340 0.000 0.000 0.297 410 L C 0.946 177.826 176.870 0.017 0.000 1.238 410 L CA 0.574 55.422 54.840 0.014 0.000 0.895 410 L CB -0.064 42.005 42.059 0.016 0.000 1.166 410 L HN 0.318 nan 8.230 nan 0.000 0.494 411 D N 2.620 123.034 120.400 0.024 0.000 2.369 411 D HA 0.162 4.802 4.640 0.000 0.000 0.241 411 D C 0.925 177.235 176.300 0.017 0.000 1.271 411 D CA 0.111 54.123 54.000 0.019 0.000 0.942 411 D CB 0.786 41.600 40.800 0.022 0.000 1.129 411 D HN 0.493 nan 8.370 nan 0.000 0.476 412 A N 0.373 123.199 122.820 0.011 0.000 1.898 412 A HA 0.086 4.406 4.320 0.000 0.000 0.216 412 A C 2.204 179.792 177.584 0.007 0.000 1.181 412 A CA 2.252 54.292 52.037 0.006 0.000 0.620 412 A CB -1.266 17.735 19.000 0.001 0.000 0.819 412 A HN 0.714 nan 8.150 nan 0.000 0.442 413 A N -0.912 121.914 122.820 0.010 0.000 1.933 413 A HA -0.082 4.238 4.320 0.000 0.000 0.218 413 A C 2.288 179.886 177.584 0.023 0.000 1.175 413 A CA 2.273 54.316 52.037 0.011 0.000 0.628 413 A CB -1.219 17.787 19.000 0.010 0.000 0.814 413 A HN 0.425 nan 8.150 nan 0.000 0.444 414 T N -0.547 114.028 114.554 0.034 0.000 2.746 414 T HA -0.176 4.174 4.350 0.000 0.000 0.267 414 T C 2.079 176.811 174.700 0.053 0.000 1.039 414 T CA 1.568 63.700 62.100 0.053 0.000 1.142 414 T CB -0.221 68.684 68.868 0.061 0.000 0.866 414 T HN 0.602 nan 8.240 nan 0.000 0.444 415 Q N 0.286 120.107 119.800 0.035 0.000 2.050 415 Q HA -0.207 4.134 4.340 0.000 0.000 0.202 415 Q C 2.490 178.501 176.000 0.019 0.000 0.980 415 Q CA 1.554 57.374 55.803 0.028 0.000 0.840 415 Q CB -0.089 28.658 28.738 0.014 0.000 0.898 415 Q HN 0.371 nan 8.270 nan 0.000 0.424 416 Q N 0.331 120.135 119.800 0.007 0.000 2.119 416 Q HA -0.158 4.182 4.340 0.000 0.000 0.201 416 Q C 1.826 177.818 176.000 -0.013 0.000 0.972 416 Q CA 1.137 56.932 55.803 -0.014 0.000 0.847 416 Q CB -0.344 28.379 28.738 -0.024 0.000 0.903 416 Q HN 0.400 nan 8.270 nan 0.000 0.433 417 L N -0.485 120.750 121.223 0.019 0.000 2.083 417 L HA -0.055 4.285 4.340 0.000 0.000 0.209 417 L C 1.849 178.769 176.870 0.083 0.000 1.083 417 L CA 1.642 56.508 54.840 0.045 0.000 0.752 417 L CB -0.456 41.651 42.059 0.080 0.000 0.899 417 L HN 0.364 nan 8.230 nan 0.000 0.433 418 L N -1.273 120.022 121.223 0.120 0.000 2.056 418 L HA -0.139 4.201 4.340 0.000 0.000 0.207 418 L C 2.469 179.361 176.870 0.036 0.000 1.078 418 L CA 1.225 56.181 54.840 0.192 0.000 0.749 418 L CB -0.653 41.507 42.059 0.169 0.000 0.901 418 L HN 0.216 nan 8.230 nan 0.000 0.433 419 S N -0.493 115.199 115.700 -0.013 0.000 2.383 419 S HA -0.184 4.286 4.470 0.000 0.000 0.227 419 S C 2.033 176.557 174.600 -0.126 0.000 1.026 419 S CA 1.162 59.329 58.200 -0.055 0.000 0.981 419 S CB -0.167 63.005 63.200 -0.047 0.000 0.818 419 S HN 0.257 nan 8.310 nan 0.000 0.472 420 R N 1.566 121.974 120.500 -0.153 0.000 2.062 420 R HA 0.043 4.383 4.340 0.000 0.000 0.229 420 R C 2.319 178.417 176.300 -0.337 0.000 1.128 420 R CA 1.787 57.766 56.100 -0.202 0.000 0.960 420 R CB -1.287 28.916 30.300 -0.162 0.000 0.855 420 R HN 0.351 nan 8.270 nan 0.000 0.432 421 G N -0.439 108.003 108.800 -0.598 0.000 2.422 421 G HA2 -0.204 3.756 3.960 0.000 0.000 0.218 421 G HA3 -0.204 3.756 3.960 0.000 0.000 0.218 421 G C 1.469 175.755 174.900 -1.023 0.000 1.146 421 G CA 0.809 45.188 45.100 -1.201 0.000 0.769 421 G HN 0.278 nan 8.290 nan 0.000 0.547 422 V N 0.324 119.839 119.914 -0.665 0.000 2.490 422 V HA -0.083 4.038 4.120 0.000 0.000 0.250 422 V C 2.890 178.900 176.094 -0.140 0.000 1.061 422 V CA 1.953 64.141 62.300 -0.187 0.000 1.064 422 V CB -0.292 31.527 31.823 -0.007 0.000 0.670 422 V HN 0.375 nan 8.190 nan 0.000 0.461 423 R N -0.997 119.397 120.500 -0.177 0.000 2.127 423 R HA 0.125 4.465 4.340 0.000 0.000 0.217 423 R C 2.173 178.402 176.300 -0.119 0.000 1.074 423 R CA 0.924 56.948 56.100 -0.127 0.000 0.991 423 R CB -0.161 30.058 30.300 -0.134 0.000 0.895 423 R HN 0.409 nan 8.270 nan 0.000 0.450 424 L N 0.063 121.191 121.223 -0.158 0.000 2.156 424 L HA -0.094 4.246 4.340 0.000 0.000 0.208 424 L C 2.066 178.893 176.870 -0.072 0.000 1.095 424 L CA 1.090 55.863 54.840 -0.112 0.000 0.770 424 L CB -0.465 41.514 42.059 -0.133 0.000 0.914 424 L HN 0.204 nan 8.230 nan 0.000 0.439 425 T N -0.740 113.764 114.554 -0.084 0.000 2.684 425 T HA -0.166 4.184 4.350 0.000 0.000 0.267 425 T C 1.775 176.470 174.700 -0.008 0.000 1.036 425 T CA 1.201 63.291 62.100 -0.016 0.000 1.148 425 T CB -0.086 68.802 68.868 0.034 0.000 0.863 425 T HN 0.273 nan 8.240 nan 0.000 0.436 426 E N 1.131 121.320 120.200 -0.017 0.000 2.077 426 E HA -0.011 4.340 4.350 0.000 0.000 0.193 426 E C 2.303 178.904 176.600 0.003 0.000 0.989 426 E CA 0.691 57.090 56.400 -0.002 0.000 0.800 426 E CB -0.517 29.183 29.700 0.001 0.000 0.746 426 E HN 0.462 nan 8.360 nan 0.000 0.452 427 L N 0.296 121.514 121.223 -0.007 0.000 2.265 427 L HA -0.128 4.212 4.340 0.000 0.000 0.215 427 L C 2.156 179.032 176.870 0.010 0.000 1.117 427 L CA 0.653 55.497 54.840 0.008 0.000 0.782 427 L CB -0.205 41.852 42.059 -0.003 0.000 0.914 427 L HN 0.087 nan 8.230 nan 0.000 0.441 428 L N -0.973 120.251 121.223 0.002 0.000 2.592 428 L HA 0.054 4.394 4.340 0.000 0.000 0.227 428 L C 0.791 177.662 176.870 0.001 0.000 1.127 428 L CA -0.068 54.775 54.840 0.005 0.000 0.884 428 L CB -0.108 41.955 42.059 0.006 0.000 1.065 428 L HN 0.085 nan 8.230 nan 0.000 0.457 429 K N 1.332 121.731 120.400 -0.002 0.000 2.414 429 K HA 0.176 4.496 4.320 0.000 0.000 0.272 429 K C -0.092 176.501 176.600 -0.012 0.000 0.993 429 K CA 0.412 56.691 56.287 -0.013 0.000 0.964 429 K CB 0.592 33.083 32.500 -0.014 0.000 0.925 429 K HN -0.012 nan 8.250 nan 0.000 0.487 430 Q N 0.371 120.155 119.800 -0.027 0.000 2.386 430 Q HA 0.318 4.658 4.340 0.000 0.000 0.274 430 Q C -0.906 175.064 176.000 -0.050 0.000 1.011 430 Q CA -0.609 55.178 55.803 -0.027 0.000 0.867 430 Q CB 1.742 30.467 28.738 -0.020 0.000 1.409 430 Q HN 0.780 nan 8.270 nan 0.000 0.395 431 G N 1.583 110.356 108.800 -0.044 0.000 2.588 431 G HA2 0.275 4.235 3.960 0.000 0.000 0.281 431 G HA3 0.275 4.235 3.960 0.000 0.000 0.281 431 G C -0.620 174.216 174.900 -0.107 0.000 1.236 431 G CA -0.249 44.811 45.100 -0.066 0.000 0.969 431 G HN 0.599 nan 8.290 nan 0.000 0.504 432 Q N -1.473 118.212 119.800 -0.192 0.000 2.260 432 Q HA 0.347 4.687 4.340 0.000 0.000 0.238 432 Q C -0.618 175.231 176.000 -0.251 0.000 0.948 432 Q CA -0.378 55.177 55.803 -0.413 0.000 0.895 432 Q CB 0.967 29.128 28.738 -0.963 0.000 1.218 432 Q HN 0.641 nan 8.270 nan 0.000 0.470 433 Y N -1.253 119.044 120.300 -0.006 0.000 4.729 433 Y HA -0.245 4.305 4.550 0.000 0.000 0.239 433 Y C -0.023 175.868 175.900 -0.015 0.000 1.043 433 Y CA 0.125 58.218 58.100 -0.012 0.000 2.045 433 Y CB -1.671 36.781 38.460 -0.014 0.000 1.599 433 Y HN 0.368 nan 8.280 nan 0.000 0.655 434 S N 0.416 116.166 115.700 0.084 0.000 2.407 434 S HA 0.234 4.704 4.470 0.000 0.000 0.166 434 S C -2.376 172.232 174.600 0.015 0.000 1.445 434 S CA -0.851 57.377 58.200 0.046 0.000 1.260 434 S CB 0.946 64.168 63.200 0.038 0.000 1.401 434 S HN 0.051 nan 8.310 nan 0.000 0.379 435 P HA 0.151 nan 4.420 nan 0.000 0.266 435 P C -0.502 176.792 177.300 -0.012 0.000 1.195 435 P CA 0.022 63.123 63.100 0.001 0.000 0.768 435 P CB 0.410 32.113 31.700 0.006 0.000 0.838 436 M N 1.695 121.290 119.600 -0.007 0.000 2.367 436 M HA 0.497 4.977 4.480 0.000 0.000 0.339 436 M C 0.636 176.929 176.300 -0.011 0.000 1.177 436 M CA -0.864 54.428 55.300 -0.012 0.000 1.068 436 M CB 1.631 34.231 32.600 -0.000 0.000 1.602 436 M HN 0.320 nan 8.290 nan 0.000 0.457 437 A N 1.577 124.381 122.820 -0.026 0.000 2.445 437 A HA 0.145 4.465 4.320 0.000 0.000 0.242 437 A C 0.974 178.567 177.584 0.015 0.000 1.075 437 A CA -0.375 51.654 52.037 -0.013 0.000 0.777 437 A CB 0.052 19.032 19.000 -0.033 0.000 1.013 437 A HN 0.937 nan 8.150 nan 0.000 0.493 438 I N 0.936 121.532 120.570 0.043 0.000 2.264 438 I HA -0.217 3.954 4.170 0.000 0.000 0.248 438 I C 2.437 178.569 176.117 0.025 0.000 1.111 438 I CA 2.396 63.720 61.300 0.040 0.000 1.382 438 I CB -0.380 37.650 38.000 0.050 0.000 1.060 438 I HN 0.834 nan 8.210 nan 0.000 0.418 439 E N 0.458 120.666 120.200 0.013 0.000 2.204 439 E HA -0.246 4.104 4.350 0.000 0.000 0.194 439 E C 1.701 178.298 176.600 -0.005 0.000 0.989 439 E CA 1.496 57.896 56.400 -0.001 0.000 0.824 439 E CB -0.714 28.976 29.700 -0.017 0.000 0.756 439 E HN 0.669 nan 8.360 nan 0.000 0.477 440 E N 0.882 121.077 120.200 -0.008 0.000 2.112 440 E HA -0.111 4.239 4.350 0.000 0.000 0.190 440 E C 2.280 178.899 176.600 0.032 0.000 0.979 440 E CA 0.799 57.194 56.400 -0.008 0.000 0.814 440 E CB -0.069 29.615 29.700 -0.027 0.000 0.762 440 E HN 0.396 nan 8.360 nan 0.000 0.460 441 Q N 0.566 120.386 119.800 0.033 0.000 2.079 441 Q HA -0.119 4.221 4.340 0.000 0.000 0.200 441 Q C 2.453 178.494 176.000 0.069 0.000 0.974 441 Q CA 1.264 57.096 55.803 0.048 0.000 0.840 441 Q CB -0.088 28.673 28.738 0.038 0.000 0.898 441 Q HN 0.132 nan 8.270 nan 0.000 0.430 442 V N 1.376 121.327 119.914 0.062 0.000 2.282 442 V HA -0.327 3.793 4.120 0.000 0.000 0.249 442 V C 2.336 178.510 176.094 0.132 0.000 1.057 442 V CA 1.990 64.341 62.300 0.085 0.000 1.032 442 V CB -1.073 30.786 31.823 0.059 0.000 0.645 442 V HN 0.424 nan 8.190 nan 0.000 0.447 443 A N -0.578 122.309 122.820 0.112 0.000 1.933 443 A HA -0.143 4.177 4.320 0.000 0.000 0.218 443 A C 2.383 180.163 177.584 0.326 0.000 1.175 443 A CA 2.031 54.177 52.037 0.181 0.000 0.628 443 A CB -0.578 18.496 19.000 0.123 0.000 0.814 443 A HN 0.349 nan 8.150 nan 0.000 0.444 444 V N -0.024 120.041 119.914 0.251 0.000 2.323 444 V HA -0.220 3.900 4.120 0.000 0.000 0.244 444 V C 2.398 178.570 176.094 0.130 0.000 1.041 444 V CA 1.959 64.376 62.300 0.194 0.000 1.025 444 V CB -0.588 31.323 31.823 0.145 0.000 0.656 444 V HN 0.573 nan 8.190 nan 0.000 0.451 445 I N -0.970 119.673 120.570 0.122 0.000 2.286 445 I HA -0.280 3.890 4.170 0.000 0.000 0.248 445 I C 2.387 178.563 176.117 0.098 0.000 1.115 445 I CA 1.842 63.191 61.300 0.082 0.000 1.392 445 I CB -0.472 37.568 38.000 0.066 0.000 1.065 445 I HN 0.371 nan 8.210 nan 0.000 0.418 446 Y N 1.910 122.234 120.300 0.039 0.000 2.102 446 Y HA -0.406 4.144 4.550 0.000 0.000 0.280 446 Y C 2.567 178.507 175.900 0.066 0.000 1.178 446 Y CA 1.801 59.936 58.100 0.058 0.000 1.146 446 Y CB -0.402 38.114 38.460 0.093 0.000 0.968 446 Y HN 0.149 nan 8.280 nan 0.000 0.504 447 A N 0.080 123.050 122.820 0.250 0.000 1.892 447 A HA -0.216 4.104 4.320 0.000 0.000 0.218 447 A C 2.445 180.018 177.584 -0.020 0.000 1.188 447 A CA 2.191 54.302 52.037 0.122 0.000 0.631 447 A CB -1.749 17.206 19.000 -0.075 0.000 0.822 447 A HN 0.647 nan 8.150 nan 0.000 0.447 448 G N -0.834 107.927 108.800 -0.064 0.000 2.396 448 G HA2 0.022 3.982 3.960 0.000 0.000 0.214 448 G HA3 0.022 3.982 3.960 0.000 0.000 0.214 448 G C 1.497 176.301 174.900 -0.160 0.000 1.166 448 G CA 1.376 46.405 45.100 -0.118 0.000 0.793 448 G HN 1.066 nan 8.290 nan 0.000 0.533 449 V N -1.805 118.017 119.914 -0.154 0.000 3.380 449 V HA 0.243 4.364 4.120 0.000 0.000 0.268 449 V C 1.912 177.838 176.094 -0.281 0.000 1.168 449 V CA 0.719 62.910 62.300 -0.182 0.000 1.156 449 V CB -0.312 31.436 31.823 -0.126 0.000 0.785 449 V HN 0.111 nan 8.190 nan 0.000 0.487 450 R N 0.903 121.156 120.500 -0.413 0.000 2.359 450 R HA 0.364 4.704 4.340 0.000 0.000 0.231 450 R C 1.735 177.608 176.300 -0.712 0.000 0.913 450 R CA 0.577 56.320 56.100 -0.594 0.000 1.075 450 R CB 0.069 29.890 30.300 -0.799 0.000 1.087 450 R HN 0.802 nan 8.270 nan 0.000 0.515 451 G N 0.493 109.004 108.800 -0.481 0.000 2.176 451 G HA2 -0.350 3.610 3.960 0.000 0.000 0.253 451 G HA3 -0.350 3.610 3.960 0.000 0.000 0.253 451 G C 0.717 175.400 174.900 -0.361 0.000 0.979 451 G CA 0.247 45.108 45.100 -0.398 0.000 0.641 451 G HN 0.450 nan 8.290 nan 0.000 0.530 452 Y N 0.162 120.366 120.300 -0.159 0.000 2.497 452 Y HA 0.229 4.779 4.550 0.000 0.000 0.292 452 Y C 2.492 178.271 175.900 -0.202 0.000 1.137 452 Y CA 1.084 59.096 58.100 -0.146 0.000 1.285 452 Y CB 0.044 38.436 38.460 -0.113 0.000 0.991 452 Y HN 0.346 nan 8.280 nan 0.000 0.556 453 L N -0.419 120.726 121.223 -0.129 0.000 2.700 453 L HA 0.084 4.424 4.340 0.000 0.000 0.234 453 L C 0.658 177.434 176.870 -0.156 0.000 1.156 453 L CA -0.110 54.599 54.840 -0.219 0.000 0.946 453 L CB -0.001 41.866 42.059 -0.321 0.000 1.216 453 L HN 0.078 nan 8.230 nan 0.000 0.493 454 D N 0.984 121.310 120.400 -0.123 0.000 2.264 454 D HA -0.116 4.524 4.640 0.000 0.000 0.208 454 D C 1.747 178.002 176.300 -0.075 0.000 0.966 454 D CA 1.188 55.126 54.000 -0.104 0.000 0.864 454 D CB 0.264 41.003 40.800 -0.102 0.000 0.933 454 D HN 0.267 nan 8.370 nan 0.000 0.499 455 K N -0.350 120.012 120.400 -0.063 0.000 2.358 455 K HA 0.114 4.434 4.320 0.000 0.000 0.197 455 K C 0.360 176.939 176.600 -0.035 0.000 1.025 455 K CA -0.437 55.826 56.287 -0.039 0.000 1.104 455 K CB 0.753 33.239 32.500 -0.023 0.000 0.855 455 K HN 0.011 nan 8.250 nan 0.000 0.531 456 L N 2.513 123.699 121.223 -0.061 0.000 2.416 456 L HA 0.058 4.399 4.340 0.000 0.000 0.272 456 L C 0.106 176.963 176.870 -0.022 0.000 1.161 456 L CA 0.012 54.825 54.840 -0.044 0.000 0.845 456 L CB 0.677 42.665 42.059 -0.118 0.000 1.119 456 L HN 0.070 nan 8.230 nan 0.000 0.464 457 E N 6.342 126.552 120.200 0.016 0.000 2.415 457 E HA 0.051 4.401 4.350 0.000 0.000 0.263 457 E C -1.884 174.730 176.600 0.023 0.000 0.995 457 E CA -0.943 55.469 56.400 0.021 0.000 0.915 457 E CB 0.947 30.668 29.700 0.036 0.000 0.951 457 E HN 0.540 nan 8.360 nan 0.000 0.449 458 P HA -0.219 nan 4.420 nan 0.000 0.216 458 P C 1.072 178.390 177.300 0.030 0.000 1.150 458 P CA 1.725 64.829 63.100 0.008 0.000 0.843 458 P CB 0.042 31.745 31.700 0.005 0.000 0.787 459 S N -0.913 114.812 115.700 0.041 0.000 2.507 459 S HA -0.079 4.392 4.470 0.000 0.000 0.235 459 S C 1.570 176.222 174.600 0.088 0.000 0.988 459 S CA 0.924 59.157 58.200 0.054 0.000 0.944 459 S CB -0.825 62.403 63.200 0.047 0.000 0.762 459 S HN 0.216 nan 8.310 nan 0.000 0.526 460 K N 0.354 120.821 120.400 0.113 0.000 2.393 460 K HA 0.323 4.643 4.320 0.000 0.000 0.193 460 K C 1.389 178.112 176.600 0.205 0.000 1.026 460 K CA -0.078 56.334 56.287 0.209 0.000 1.064 460 K CB -0.011 32.668 32.500 0.298 0.000 0.833 460 K HN 0.314 nan 8.250 nan 0.000 0.521 461 I N 1.299 121.933 120.570 0.106 0.000 2.127 461 I HA -0.290 3.880 4.170 0.000 0.000 0.241 461 I C 1.929 178.128 176.117 0.137 0.000 1.075 461 I CA 1.738 63.086 61.300 0.079 0.000 1.334 461 I CB -1.174 36.837 38.000 0.018 0.000 1.040 461 I HN 0.158 nan 8.210 nan 0.000 0.405 462 T N 0.844 115.464 114.554 0.109 0.000 2.699 462 T HA -0.247 4.103 4.350 0.000 0.000 0.268 462 T C 1.951 176.726 174.700 0.126 0.000 1.036 462 T CA 1.950 64.110 62.100 0.100 0.000 1.147 462 T CB -0.228 68.683 68.868 0.071 0.000 0.862 462 T HN 0.360 nan 8.240 nan 0.000 0.446 463 K N 0.104 120.613 120.400 0.182 0.000 2.097 463 K HA -0.075 4.245 4.320 0.000 0.000 0.205 463 K C 2.097 178.827 176.600 0.217 0.000 1.050 463 K CA 1.029 57.462 56.287 0.245 0.000 0.938 463 K CB -0.369 32.330 32.500 0.333 0.000 0.718 463 K HN 0.334 nan 8.250 nan 0.000 0.442 464 F N 2.457 122.335 119.950 -0.121 0.000 2.069 464 F HA -0.222 4.305 4.527 0.000 0.000 0.298 464 F C 2.262 177.967 175.800 -0.159 0.000 1.113 464 F CA 2.164 59.792 58.000 -0.621 0.000 1.214 464 F CB -0.367 38.218 39.000 -0.691 0.000 0.978 464 F HN 0.199 nan 8.300 nan 0.000 0.474 465 E N 0.119 120.306 120.200 -0.021 0.000 2.058 465 E HA -0.275 4.076 4.350 0.000 0.000 0.194 465 E C 1.931 178.493 176.600 -0.064 0.000 0.997 465 E CA 1.562 57.939 56.400 -0.039 0.000 0.801 465 E CB -0.265 29.497 29.700 0.102 0.000 0.746 465 E HN 0.424 nan 8.360 nan 0.000 0.450 466 N N 0.283 118.977 118.700 -0.011 0.000 2.166 466 N HA -0.120 4.620 4.740 0.000 0.000 0.186 466 N C 1.551 177.057 175.510 -0.006 0.000 1.019 466 N CA 1.346 54.401 53.050 0.008 0.000 0.856 466 N CB -0.394 38.122 38.487 0.049 0.000 0.993 466 N HN 0.246 nan 8.380 nan 0.000 0.426 467 A N 0.085 122.914 122.820 0.015 0.000 1.897 467 A HA -0.060 4.260 4.320 0.000 0.000 0.215 467 A C 2.103 179.645 177.584 -0.070 0.000 1.181 467 A CA 0.713 52.819 52.037 0.117 0.000 0.620 467 A CB -0.879 18.345 19.000 0.373 0.000 0.821 467 A HN 0.301 nan 8.150 nan 0.000 0.443 468 F N 0.148 119.712 119.950 -0.644 0.000 2.134 468 F HA -0.141 4.386 4.527 0.000 0.000 0.299 468 F C 1.798 177.265 175.800 -0.554 0.000 1.097 468 F CA 1.717 59.057 58.000 -1.100 0.000 1.264 468 F CB -0.227 37.956 39.000 -1.362 0.000 1.001 468 F HN 0.192 nan 8.300 nan 0.000 0.479 469 L N 0.126 121.182 121.223 -0.277 0.000 2.056 469 L HA -0.156 4.184 4.340 0.000 0.000 0.207 469 L C 2.492 179.199 176.870 -0.271 0.000 1.078 469 L CA 2.032 56.701 54.840 -0.285 0.000 0.749 469 L CB -1.181 40.821 42.059 -0.095 0.000 0.901 469 L HN 0.131 nan 8.230 nan 0.000 0.433 470 S N -1.365 114.238 115.700 -0.162 0.000 2.387 470 S HA -0.302 4.168 4.470 0.000 0.000 0.230 470 S C 1.947 176.477 174.600 -0.117 0.000 1.035 470 S CA 1.565 59.705 58.200 -0.100 0.000 1.014 470 S CB -0.675 62.515 63.200 -0.017 0.000 0.836 470 S HN 0.714 nan 8.310 nan 0.000 0.466 471 H N 1.840 120.752 119.070 -0.262 0.000 2.326 471 H HA -0.041 4.515 4.556 0.000 0.000 0.301 471 H C 2.069 177.243 175.328 -0.257 0.000 1.081 471 H CA 1.938 57.844 56.048 -0.236 0.000 1.334 471 H CB -0.558 29.010 29.762 -0.324 0.000 1.385 471 H HN 0.240 nan 8.280 nan 0.000 0.504 472 V N -0.895 118.620 119.914 -0.665 0.000 2.358 472 V HA -0.155 3.965 4.120 0.000 0.000 0.246 472 V C 2.505 178.389 176.094 -0.349 0.000 1.047 472 V CA 1.967 63.922 62.300 -0.575 0.000 1.035 472 V CB -0.938 30.470 31.823 -0.691 0.000 0.658 472 V HN 0.420 nan 8.190 nan 0.000 0.452 473 I N 1.025 121.420 120.570 -0.292 0.000 2.286 473 I HA -0.219 3.951 4.170 0.000 0.000 0.248 473 I C 2.911 178.923 176.117 -0.175 0.000 1.115 473 I CA 2.087 63.272 61.300 -0.193 0.000 1.392 473 I CB -0.351 37.559 38.000 -0.149 0.000 1.065 473 I HN 0.476 nan 8.210 nan 0.000 0.418 474 S N -0.287 115.300 115.700 -0.189 0.000 2.377 474 S HA -0.118 4.352 4.470 0.000 0.000 0.223 474 S C 1.871 176.350 174.600 -0.200 0.000 1.030 474 S CA 1.192 59.301 58.200 -0.151 0.000 0.970 474 S CB 0.087 63.234 63.200 -0.087 0.000 0.830 474 S HN 0.454 nan 8.310 nan 0.000 0.473 475 Q N -1.339 118.263 119.800 -0.331 0.000 2.316 475 Q HA 0.211 4.551 4.340 0.000 0.000 0.235 475 Q C -0.162 175.429 176.000 -0.683 0.000 0.863 475 Q CA 0.108 55.632 55.803 -0.466 0.000 0.939 475 Q CB 0.618 29.035 28.738 -0.534 0.000 1.108 475 Q HN 0.570 nan 8.270 nan 0.000 0.522 476 H N 0.285 119.179 119.070 -0.292 0.000 2.587 476 H HA 0.203 4.760 4.556 0.000 0.000 0.245 476 H C 0.717 175.932 175.328 -0.188 0.000 1.238 476 H CA -0.124 55.785 56.048 -0.231 0.000 0.963 476 H CB 0.818 30.415 29.762 -0.275 0.000 1.904 476 H HN 0.173 nan 8.280 nan 0.000 0.584 477 Q N 0.672 120.407 119.800 -0.109 0.000 2.112 477 Q HA -0.118 4.222 4.340 0.000 0.000 0.206 477 Q C 2.304 178.267 176.000 -0.062 0.000 0.987 477 Q CA 1.344 57.094 55.803 -0.089 0.000 0.858 477 Q CB -0.023 28.662 28.738 -0.088 0.000 0.905 477 Q HN 0.522 nan 8.270 nan 0.000 0.420 478 A N 1.349 124.139 122.820 -0.051 0.000 1.883 478 A HA -0.181 4.139 4.320 0.000 0.000 0.217 478 A C 2.145 179.710 177.584 -0.031 0.000 1.186 478 A CA 1.288 53.304 52.037 -0.035 0.000 0.624 478 A CB -0.882 18.102 19.000 -0.026 0.000 0.822 478 A HN 0.379 nan 8.150 nan 0.000 0.444 479 L N -0.579 120.629 121.223 -0.024 0.000 2.012 479 L HA -0.175 4.165 4.340 0.000 0.000 0.210 479 L C 2.495 179.327 176.870 -0.063 0.000 1.073 479 L CA 1.692 56.505 54.840 -0.046 0.000 0.748 479 L CB -0.317 41.703 42.059 -0.064 0.000 0.891 479 L HN 0.448 nan 8.230 nan 0.000 0.431 480 L N -0.743 120.438 121.223 -0.070 0.000 2.141 480 L HA -0.132 4.208 4.340 0.000 0.000 0.209 480 L C 2.561 179.401 176.870 -0.050 0.000 1.094 480 L CA 1.134 55.931 54.840 -0.072 0.000 0.763 480 L CB -0.943 41.064 42.059 -0.087 0.000 0.908 480 L HN 0.364 nan 8.230 nan 0.000 0.437 481 G N -0.650 108.124 108.800 -0.045 0.000 2.403 481 G HA2 -0.180 3.780 3.960 0.000 0.000 0.216 481 G HA3 -0.180 3.780 3.960 0.000 0.000 0.216 481 G C 1.742 176.626 174.900 -0.026 0.000 1.154 481 G CA 0.192 45.272 45.100 -0.033 0.000 0.784 481 G HN 0.073 nan 8.290 nan 0.000 0.538 482 K N 0.363 120.746 120.400 -0.029 0.000 2.057 482 K HA 0.107 4.427 4.320 0.000 0.000 0.206 482 K C 2.462 179.048 176.600 -0.023 0.000 1.050 482 K CA 0.557 56.829 56.287 -0.024 0.000 0.935 482 K CB -0.429 32.056 32.500 -0.026 0.000 0.715 482 K HN 0.379 nan 8.250 nan 0.000 0.439 483 I N 0.435 120.986 120.570 -0.031 0.000 2.226 483 I HA -0.275 3.895 4.170 0.000 0.000 0.245 483 I C 2.729 178.838 176.117 -0.014 0.000 1.100 483 I CA 1.066 62.351 61.300 -0.025 0.000 1.374 483 I CB -0.213 37.766 38.000 -0.035 0.000 1.057 483 I HN 0.159 nan 8.210 nan 0.000 0.413 484 R N 0.463 120.955 120.500 -0.014 0.000 2.070 484 R HA -0.168 4.172 4.340 0.000 0.000 0.233 484 R C 2.260 178.558 176.300 -0.003 0.000 1.137 484 R CA 2.221 58.319 56.100 -0.004 0.000 0.945 484 R CB -0.350 29.948 30.300 -0.002 0.000 0.845 484 R HN 0.187 nan 8.270 nan 0.000 0.430 485 T N 0.724 115.274 114.554 -0.008 0.000 2.812 485 T HA -0.062 4.288 4.350 0.000 0.000 0.264 485 T C 0.918 175.613 174.700 -0.008 0.000 1.042 485 T CA 1.426 63.521 62.100 -0.007 0.000 1.140 485 T CB -0.178 68.685 68.868 -0.009 0.000 0.870 485 T HN 0.313 nan 8.240 nan 0.000 0.445 486 D N 0.397 120.792 120.400 -0.009 0.000 2.317 486 D HA 0.123 4.763 4.640 0.000 0.000 0.211 486 D C 1.697 177.993 176.300 -0.006 0.000 0.966 486 D CA 0.766 54.762 54.000 -0.007 0.000 0.876 486 D CB -0.513 40.283 40.800 -0.006 0.000 0.927 486 D HN 0.471 nan 8.370 nan 0.000 0.519 487 G N 0.876 109.673 108.800 -0.006 0.000 2.187 487 G HA2 -0.340 3.620 3.960 0.000 0.000 0.261 487 G HA3 -0.340 3.620 3.960 0.000 0.000 0.261 487 G C 0.440 175.340 174.900 -0.001 0.000 1.000 487 G CA 1.012 46.109 45.100 -0.005 0.000 0.718 487 G HN 0.466 nan 8.290 nan 0.000 0.519 488 K N -1.084 119.317 120.400 0.001 0.000 2.548 488 K HA 0.640 4.960 4.320 0.000 0.000 0.282 488 K C -0.924 175.681 176.600 0.008 0.000 1.006 488 K CA -1.210 55.082 56.287 0.008 0.000 0.892 488 K CB 1.145 33.649 32.500 0.007 0.000 1.499 488 K HN 0.031 nan 8.250 nan 0.000 0.433 489 I N 3.349 123.931 120.570 0.019 0.000 2.307 489 I HA 0.111 4.281 4.170 0.000 0.000 0.287 489 I C 0.355 176.484 176.117 0.020 0.000 1.054 489 I CA -0.467 60.843 61.300 0.017 0.000 1.218 489 I CB 1.255 39.283 38.000 0.045 0.000 1.398 489 I HN 0.596 nan 8.210 nan 0.000 0.475 490 S N 3.430 119.134 115.700 0.007 0.000 2.589 490 S HA 0.122 4.592 4.470 0.000 0.000 0.265 490 S C 1.068 175.679 174.600 0.019 0.000 1.342 490 S CA -0.562 57.644 58.200 0.011 0.000 1.005 490 S CB 1.095 64.298 63.200 0.004 0.000 0.909 490 S HN 0.594 nan 8.310 nan 0.000 0.555 491 E N 0.892 121.106 120.200 0.023 0.000 2.086 491 E HA -0.231 4.119 4.350 0.000 0.000 0.200 491 E C 1.890 178.505 176.600 0.025 0.000 1.012 491 E CA 1.901 58.319 56.400 0.030 0.000 0.812 491 E CB -0.316 29.399 29.700 0.025 0.000 0.743 491 E HN 0.907 nan 8.360 nan 0.000 0.453 492 E N 0.269 120.477 120.200 0.013 0.000 2.072 492 E HA -0.134 4.217 4.350 0.000 0.000 0.191 492 E C 1.866 178.460 176.600 -0.010 0.000 0.985 492 E CA 1.347 57.749 56.400 0.004 0.000 0.801 492 E CB -0.023 29.678 29.700 0.001 0.000 0.750 492 E HN 0.101 nan 8.360 nan 0.000 0.452 493 S N 0.593 116.281 115.700 -0.020 0.000 2.399 493 S HA -0.180 4.290 4.470 0.000 0.000 0.231 493 S C 1.507 176.063 174.600 -0.074 0.000 1.022 493 S CA 1.353 59.521 58.200 -0.053 0.000 0.983 493 S CB -0.349 62.818 63.200 -0.055 0.000 0.803 493 S HN 0.402 nan 8.310 nan 0.000 0.480 494 D N 1.526 121.915 120.400 -0.019 0.000 2.097 494 D HA 0.019 4.659 4.640 0.000 0.000 0.197 494 D C 2.036 178.366 176.300 0.051 0.000 0.984 494 D CA 1.274 55.294 54.000 0.032 0.000 0.826 494 D CB -0.392 40.482 40.800 0.123 0.000 0.973 494 D HN 0.276 nan 8.370 nan 0.000 0.460 495 A N 0.264 123.109 122.820 0.042 0.000 1.940 495 A HA -0.201 4.119 4.320 0.000 0.000 0.219 495 A C 2.145 179.730 177.584 0.000 0.000 1.176 495 A CA 2.181 54.241 52.037 0.039 0.000 0.631 495 A CB -0.632 18.385 19.000 0.029 0.000 0.814 495 A HN 0.231 nan 8.150 nan 0.000 0.446 496 K N -0.179 120.199 120.400 -0.036 0.000 2.057 496 K HA 0.020 4.340 4.320 0.000 0.000 0.206 496 K C 1.755 178.274 176.600 -0.134 0.000 1.050 496 K CA 1.317 57.558 56.287 -0.076 0.000 0.935 496 K CB -0.474 31.977 32.500 -0.081 0.000 0.715 496 K HN 0.438 nan 8.250 nan 0.000 0.439 497 L N 0.697 121.812 121.223 -0.179 0.000 2.027 497 L HA -0.153 4.187 4.340 0.000 0.000 0.206 497 L C 2.577 179.379 176.870 -0.114 0.000 1.074 497 L CA 1.502 56.191 54.840 -0.252 0.000 0.745 497 L CB -0.436 41.246 42.059 -0.628 0.000 0.898 497 L HN 0.243 nan 8.230 nan 0.000 0.433 498 K N -0.057 120.335 120.400 -0.013 0.000 2.034 498 K HA -0.247 4.073 4.320 0.000 0.000 0.214 498 K C 1.995 178.525 176.600 -0.116 0.000 1.051 498 K CA 1.841 58.113 56.287 -0.026 0.000 0.931 498 K CB 0.033 32.599 32.500 0.111 0.000 0.715 498 K HN 0.250 nan 8.250 nan 0.000 0.446 499 E N 0.537 120.709 120.200 -0.047 0.000 2.150 499 E HA -0.145 4.205 4.350 0.000 0.000 0.193 499 E C 2.146 178.749 176.600 0.006 0.000 0.985 499 E CA 0.881 57.270 56.400 -0.019 0.000 0.814 499 E CB -0.227 29.477 29.700 0.006 0.000 0.752 499 E HN 0.455 nan 8.360 nan 0.000 0.466 500 I N 0.732 121.287 120.570 -0.026 0.000 2.163 500 I HA -0.260 3.910 4.170 0.000 0.000 0.243 500 I C 2.422 178.657 176.117 0.196 0.000 1.085 500 I CA 0.933 62.254 61.300 0.035 0.000 1.347 500 I CB -0.331 37.572 38.000 -0.162 0.000 1.044 500 I HN -0.064 nan 8.210 nan 0.000 0.408 501 V N 0.829 120.823 119.914 0.134 0.000 2.261 501 V HA -0.288 3.832 4.120 0.000 0.000 0.246 501 V C 2.747 178.897 176.094 0.094 0.000 1.047 501 V CA 2.561 64.952 62.300 0.152 0.000 1.015 501 V CB -1.208 30.561 31.823 -0.090 0.000 0.642 501 V HN 0.657 nan 8.190 nan 0.000 0.446 502 T N -1.568 112.931 114.554 -0.091 0.000 2.746 502 T HA -0.208 4.142 4.350 0.000 0.000 0.267 502 T C 1.746 176.492 174.700 0.075 0.000 1.039 502 T CA 1.743 63.819 62.100 -0.039 0.000 1.142 502 T CB -0.490 68.329 68.868 -0.081 0.000 0.866 502 T HN 0.418 nan 8.240 nan 0.000 0.444 503 N N 0.422 119.183 118.700 0.103 0.000 2.216 503 N HA 0.036 4.776 4.740 0.000 0.000 0.183 503 N C 1.525 177.133 175.510 0.164 0.000 1.017 503 N CA 1.034 54.153 53.050 0.115 0.000 0.861 503 N CB -0.430 38.121 38.487 0.108 0.000 0.986 503 N HN 0.507 nan 8.380 nan 0.000 0.428 504 F N 1.595 121.616 119.950 0.118 0.000 2.186 504 F HA -0.089 4.438 4.527 0.000 0.000 0.299 504 F C 2.160 178.102 175.800 0.237 0.000 1.090 504 F CA 0.584 58.673 58.000 0.148 0.000 1.307 504 F CB -0.122 39.001 39.000 0.204 0.000 1.019 504 F HN -0.080 nan 8.300 nan 0.000 0.489 505 L N 0.699 122.162 121.223 0.400 0.000 2.093 505 L HA -0.005 4.335 4.340 0.000 0.000 0.208 505 L C 2.400 179.374 176.870 0.173 0.000 1.085 505 L CA 1.986 57.023 54.840 0.328 0.000 0.755 505 L CB -1.206 40.960 42.059 0.177 0.000 0.904 505 L HN 0.137 nan 8.230 nan 0.000 0.435 506 A N -0.587 122.295 122.820 0.102 0.000 1.898 506 A HA -0.006 4.314 4.320 0.000 0.000 0.216 506 A C 2.323 179.917 177.584 0.016 0.000 1.181 506 A CA 1.351 53.421 52.037 0.055 0.000 0.620 506 A CB -1.529 17.495 19.000 0.040 0.000 0.819 506 A HN 0.512 nan 8.150 nan 0.000 0.442 507 G N -1.004 107.776 108.800 -0.034 0.000 2.459 507 G HA2 -0.268 3.692 3.960 0.000 0.000 0.217 507 G HA3 -0.268 3.692 3.960 0.000 0.000 0.217 507 G C 1.488 176.326 174.900 -0.104 0.000 1.183 507 G CA 1.176 46.213 45.100 -0.106 0.000 0.776 507 G HN 0.503 nan 8.290 nan 0.000 0.552 508 F N 1.544 121.322 119.950 -0.287 0.000 2.161 508 F HA -0.045 4.482 4.527 0.000 0.000 0.300 508 F C 2.613 178.379 175.800 -0.056 0.000 1.089 508 F CA 2.000 59.885 58.000 -0.190 0.000 1.282 508 F CB 0.039 38.987 39.000 -0.086 0.000 1.010 508 F HN 0.250 nan 8.300 nan 0.000 0.485 509 E N 0.566 120.832 120.200 0.110 0.000 2.358 509 E HA 0.049 4.399 4.350 0.000 0.000 0.195 509 E C 1.350 177.917 176.600 -0.054 0.000 1.010 509 E CA 0.172 56.593 56.400 0.035 0.000 0.856 509 E CB -0.192 29.562 29.700 0.090 0.000 0.795 509 E HN 0.431 nan 8.360 nan 0.000 0.504 510 A N 0.000 122.779 122.820 -0.068 0.000 2.254 510 A HA 0.000 4.320 4.320 0.000 0.000 0.244 510 A CA 0.000 51.995 52.037 -0.070 0.000 0.836 510 A CB 0.000 18.958 19.000 -0.070 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486