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 2oqe_1_C DATA FIRST_RESID 17 DATA SEQUENCE APARPAHPLD PLSTAEIKAA TNTVKSYFAG KKISFNTVTL REPARKAYIQ DATA SEQUENCE WKEQGGPLPP RLAYYVILEA GKPGVKEGLV DLASLSVIET RALETVQPIL DATA SEQUENCE TVEDLCSTEE VIRNDPAVIE QCVLSGIPAN EMHKVYCDPW TIGYDERWGT DATA SEQUENCE GKRLQQALVY YRSDEDDSQY SHPLDFCPIV DTEEKKVIFI DIPNRRRKVS DATA SEQUENCE KHKHANFYPK HMIEKVGAMR PEAPPINVTQ PEGVSFKMTG NVMEWSNFKF DATA SEQUENCE HIGFNYREGI VLSDVSYNDH GNVRPIFHRI SLSEMIVPYG SPEFPHQRKH DATA SEQUENCE ALDIGEYGAG YMTNPLSLGC DcKGVIHYLD AHFSDRAGDP ITVKNAVcIH DATA SEQUENCE EEDDGLLFKH SDFRDNFATS LVTRATKLVV SQIFTAANXE YCLYWVFMQD DATA SEQUENCE GAIRLDIRLT GILNTYILGD DEEAGPWGTR VYPNVNAHNH QHLFSLRIDP DATA SEQUENCE RIDGDGNSAA ACDAKSSPYP LGSPENMYGN AFYSEKTTFK TVKDSLTNYE DATA SEQUENCE SATGRSWDIF NPNKVNPYSG KPPSYKLVST QCPPLLAKEG SLVAKRAPWA DATA SEQUENCE SHSVNVVPYK DNRLYPSGDH VPQWSGDGVR GMREWIGDGS ENIDNTDILF DATA SEQUENCE FHTFGITHFP APEDFPLMPA EPITLMLRPR HFFTENPGLD IQPSYAMTTS DATA SEQUENCE EAKRAV 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 17 A HA 0.000 nan 4.320 nan 0.000 0.244 17 A C 0.000 177.585 177.584 0.002 0.000 1.274 17 A CA 0.000 52.039 52.037 0.004 0.000 0.836 17 A CB 0.000 19.004 19.000 0.006 0.000 0.831 18 P HA 0.576 nan 4.420 nan 0.000 0.274 18 P C 0.261 177.564 177.300 0.005 0.000 1.231 18 P CA -0.019 63.082 63.100 0.000 0.000 0.790 18 P CB 1.113 32.812 31.700 -0.001 0.000 0.951 19 A N 3.282 126.106 122.820 0.005 0.000 2.477 19 A HA 0.132 4.452 4.320 -0.001 0.000 0.246 19 A C 0.649 178.242 177.584 0.015 0.000 1.078 19 A CA -0.302 51.741 52.037 0.011 0.000 0.770 19 A CB -0.186 18.821 19.000 0.012 0.000 1.011 19 A HN 0.528 nan 8.150 nan 0.000 0.494 20 R N 1.998 122.507 120.500 0.015 0.000 2.698 20 R HA 0.209 4.548 4.340 -0.001 0.000 0.266 20 R C -1.872 174.445 176.300 0.028 0.000 1.026 20 R CA -0.710 55.398 56.100 0.014 0.000 1.102 20 R CB -0.070 30.234 30.300 0.007 0.000 0.978 20 R HN 0.648 nan 8.270 nan 0.000 0.436 21 P HA 0.066 nan 4.420 nan 0.000 0.276 21 P C -0.296 177.053 177.300 0.081 0.000 1.261 21 P CA -0.238 62.900 63.100 0.064 0.000 0.800 21 P CB 0.763 32.509 31.700 0.078 0.000 1.066 22 A N -0.252 122.641 122.820 0.121 0.000 2.015 22 A HA -0.102 4.218 4.320 -0.001 0.000 0.219 22 A C 1.103 178.818 177.584 0.218 0.000 1.163 22 A CA 1.403 53.532 52.037 0.154 0.000 0.646 22 A CB -0.780 18.317 19.000 0.162 0.000 0.806 22 A HN 0.720 nan 8.150 nan 0.000 0.448 23 H N -2.286 116.840 119.070 0.094 0.000 2.954 23 H HA 0.314 4.869 4.556 -0.001 0.000 0.361 23 H C -2.740 172.552 175.328 -0.060 0.000 1.122 23 H CA -1.506 54.591 56.048 0.082 0.000 1.217 23 H CB 2.058 31.941 29.762 0.202 0.000 1.776 23 H HN -0.096 nan 8.280 nan 0.000 0.533 24 P HA -0.019 nan 4.420 nan 0.000 0.225 24 P C 1.237 178.518 177.300 -0.031 0.000 1.148 24 P CA 0.882 63.851 63.100 -0.219 0.000 0.779 24 P CB 0.368 31.775 31.700 -0.488 0.000 0.780 25 L N -1.835 119.460 121.223 0.120 0.000 2.607 25 L HA 0.140 4.479 4.340 -0.001 0.000 0.228 25 L C 0.265 177.071 176.870 -0.107 0.000 1.123 25 L CA -0.143 54.571 54.840 -0.210 0.000 0.890 25 L CB -0.460 41.198 42.059 -0.669 0.000 1.103 25 L HN -0.127 nan 8.230 nan 0.000 0.468 26 D N 1.883 122.357 120.400 0.123 0.000 2.488 26 D HA 0.102 4.741 4.640 -0.001 0.000 0.238 26 D C -2.022 174.383 176.300 0.174 0.000 1.138 26 D CA -0.943 53.207 54.000 0.249 0.000 0.873 26 D CB 0.597 41.532 40.800 0.226 0.000 1.183 26 D HN -0.052 nan 8.370 nan 0.000 0.458 27 P HA 0.030 nan 4.420 nan 0.000 0.270 27 P C 0.058 177.457 177.300 0.165 0.000 1.223 27 P CA -0.310 62.903 63.100 0.187 0.000 0.785 27 P CB 0.493 32.323 31.700 0.217 0.000 0.923 28 L N 0.731 122.051 121.223 0.161 0.000 2.578 28 L HA 0.008 4.348 4.340 -0.001 0.000 0.279 28 L C 1.285 178.230 176.870 0.126 0.000 1.227 28 L CA 0.170 55.088 54.840 0.129 0.000 0.900 28 L CB -0.361 41.775 42.059 0.129 0.000 1.144 28 L HN 0.511 nan 8.230 nan 0.000 0.496 29 S N 0.337 116.074 115.700 0.062 0.000 2.624 29 S HA 0.096 4.566 4.470 -0.001 0.000 0.263 29 S C 1.358 175.904 174.600 -0.090 0.000 1.287 29 S CA -0.212 57.974 58.200 -0.024 0.000 0.990 29 S CB 1.258 64.437 63.200 -0.036 0.000 0.950 29 S HN 0.777 nan 8.310 nan 0.000 0.561 30 T N -1.042 113.357 114.554 -0.259 0.000 2.759 30 T HA -0.147 4.203 4.350 -0.001 0.000 0.269 30 T C 1.950 176.588 174.700 -0.104 0.000 1.042 30 T CA 1.251 63.230 62.100 -0.201 0.000 1.140 30 T CB -1.130 67.575 68.868 -0.272 0.000 0.864 30 T HN 0.905 nan 8.240 nan 0.000 0.455 31 A N 1.675 124.441 122.820 -0.090 0.000 1.930 31 A HA -0.048 4.272 4.320 -0.001 0.000 0.217 31 A C 2.320 179.883 177.584 -0.036 0.000 1.175 31 A CA 1.538 53.542 52.037 -0.055 0.000 0.627 31 A CB -0.636 18.338 19.000 -0.043 0.000 0.815 31 A HN 0.655 nan 8.150 nan 0.000 0.443 32 E N -0.417 119.769 120.200 -0.023 0.000 2.107 32 E HA -0.091 4.258 4.350 -0.001 0.000 0.191 32 E C 1.837 178.435 176.600 -0.004 0.000 0.982 32 E CA 0.942 57.341 56.400 -0.001 0.000 0.809 32 E CB -0.214 29.499 29.700 0.022 0.000 0.756 32 E HN 0.696 nan 8.360 nan 0.000 0.459 33 I N 0.990 121.555 120.570 -0.008 0.000 2.179 33 I HA -0.273 3.897 4.170 -0.001 0.000 0.242 33 I C 2.435 178.504 176.117 -0.081 0.000 1.088 33 I CA 0.975 62.263 61.300 -0.019 0.000 1.357 33 I CB -0.119 37.886 38.000 0.009 0.000 1.051 33 I HN -0.025 nan 8.210 nan 0.000 0.409 34 K N 1.487 121.841 120.400 -0.077 0.000 2.057 34 K HA -0.124 4.195 4.320 -0.001 0.000 0.207 34 K C 2.049 178.599 176.600 -0.083 0.000 1.049 34 K CA 1.752 57.983 56.287 -0.094 0.000 0.931 34 K CB -0.455 32.004 32.500 -0.069 0.000 0.714 34 K HN 0.290 nan 8.250 nan 0.000 0.440 35 A N 0.367 123.156 122.820 -0.052 0.000 1.902 35 A HA -0.061 4.258 4.320 -0.001 0.000 0.217 35 A C 2.353 179.916 177.584 -0.035 0.000 1.181 35 A CA 2.054 54.071 52.037 -0.033 0.000 0.623 35 A CB -1.026 17.965 19.000 -0.015 0.000 0.818 35 A HN 0.408 nan 8.150 nan 0.000 0.443 36 A N -0.291 122.506 122.820 -0.039 0.000 1.902 36 A HA -0.099 4.220 4.320 -0.001 0.000 0.217 36 A C 2.463 179.997 177.584 -0.085 0.000 1.181 36 A CA 2.550 54.569 52.037 -0.030 0.000 0.623 36 A CB -1.348 17.657 19.000 0.009 0.000 0.818 36 A HN 0.778 nan 8.150 nan 0.000 0.443 37 T N -2.237 112.194 114.554 -0.205 0.000 2.904 37 T HA -0.112 4.238 4.350 -0.001 0.000 0.267 37 T C 1.653 176.285 174.700 -0.114 0.000 1.059 37 T CA 1.333 63.191 62.100 -0.405 0.000 1.137 37 T CB -0.521 67.765 68.868 -0.970 0.000 0.879 37 T HN 0.343 nan 8.240 nan 0.000 0.467 38 N N 1.451 120.103 118.700 -0.080 0.000 2.104 38 N HA -0.061 4.678 4.740 -0.001 0.000 0.190 38 N C 2.071 177.600 175.510 0.031 0.000 1.024 38 N CA 1.846 54.891 53.050 -0.008 0.000 0.853 38 N CB -1.050 37.428 38.487 -0.016 0.000 1.008 38 N HN 0.492 nan 8.380 nan 0.000 0.424 39 T N 0.802 115.364 114.554 0.013 0.000 2.708 39 T HA -0.045 4.305 4.350 -0.001 0.000 0.266 39 T C 2.144 176.871 174.700 0.045 0.000 1.037 39 T CA 0.925 63.039 62.100 0.024 0.000 1.146 39 T CB -0.331 68.539 68.868 0.004 0.000 0.865 39 T HN -0.031 nan 8.240 nan 0.000 0.435 40 V N 1.375 121.305 119.914 0.026 0.000 2.295 40 V HA -0.180 3.940 4.120 -0.001 0.000 0.246 40 V C 2.470 178.726 176.094 0.270 0.000 1.049 40 V CA 1.607 63.940 62.300 0.055 0.000 1.024 40 V CB -0.515 31.252 31.823 -0.093 0.000 0.648 40 V HN 0.440 nan 8.190 nan 0.000 0.447 41 K N 0.005 120.578 120.400 0.288 0.000 2.089 41 K HA -0.238 4.082 4.320 -0.001 0.000 0.210 41 K C 2.500 179.209 176.600 0.181 0.000 1.048 41 K CA 1.910 58.348 56.287 0.251 0.000 0.926 41 K CB -0.387 32.236 32.500 0.205 0.000 0.714 41 K HN 0.429 nan 8.250 nan 0.000 0.448 42 S N -0.221 115.557 115.700 0.130 0.000 2.387 42 S HA -0.147 4.322 4.470 -0.001 0.000 0.226 42 S C 1.857 176.488 174.600 0.051 0.000 1.026 42 S CA 0.660 58.906 58.200 0.078 0.000 0.972 42 S CB -0.277 62.957 63.200 0.057 0.000 0.814 42 S HN 0.408 nan 8.310 nan 0.000 0.477 43 Y N 0.787 121.037 120.300 -0.083 0.000 2.224 43 Y HA 0.098 4.647 4.550 -0.001 0.000 0.289 43 Y C 0.425 176.099 175.900 -0.377 0.000 1.146 43 Y CA 1.301 59.249 58.100 -0.254 0.000 1.182 43 Y CB -0.103 38.133 38.460 -0.374 0.000 0.983 43 Y HN 0.298 nan 8.280 nan 0.000 0.524 44 F N 1.166 121.170 119.950 0.089 0.000 2.987 44 F HA 0.433 4.959 4.527 -0.001 0.000 0.302 44 F C 0.767 176.555 175.800 -0.020 0.000 1.221 44 F CA -0.566 57.442 58.000 0.013 0.000 1.307 44 F CB -0.762 38.262 39.000 0.041 0.000 1.108 44 F HN -0.003 nan 8.300 nan 0.000 0.521 45 A N 0.368 123.211 122.820 0.038 0.000 2.561 45 A HA 0.379 4.699 4.320 -0.001 0.000 0.251 45 A C 1.562 179.167 177.584 0.035 0.000 1.062 45 A CA 0.988 53.040 52.037 0.025 0.000 0.761 45 A CB -0.648 18.335 19.000 -0.029 0.000 0.986 45 A HN 1.171 nan 8.150 nan 0.000 0.510 46 G N 2.094 110.919 108.800 0.042 0.000 2.253 46 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.251 46 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.251 46 G C 0.355 175.277 174.900 0.037 0.000 0.998 46 G CA 0.528 45.646 45.100 0.031 0.000 0.621 46 G HN 0.800 nan 8.290 nan 0.000 0.524 47 K N 0.663 121.100 120.400 0.063 0.000 2.185 47 K HA 0.397 4.717 4.320 -0.001 0.000 0.271 47 K C 0.088 176.692 176.600 0.007 0.000 1.013 47 K CA -0.563 55.749 56.287 0.043 0.000 0.943 47 K CB 1.526 34.074 32.500 0.081 0.000 0.998 47 K HN 0.267 nan 8.250 nan 0.000 0.468 48 K N 3.774 124.159 120.400 -0.026 0.000 2.206 48 K HA 0.185 4.505 4.320 -0.001 0.000 0.268 48 K C -0.080 176.462 176.600 -0.096 0.000 1.111 48 K CA -0.257 56.005 56.287 -0.041 0.000 0.955 48 K CB -0.263 32.219 32.500 -0.031 0.000 1.406 48 K HN 0.584 nan 8.250 nan 0.000 0.427 49 I N 0.024 120.517 120.570 -0.129 0.000 2.648 49 I HA 0.585 4.754 4.170 -0.001 0.000 0.304 49 I C -0.573 175.398 176.117 -0.243 0.000 1.009 49 I CA -0.713 60.431 61.300 -0.259 0.000 1.114 49 I CB 2.176 39.918 38.000 -0.429 0.000 1.293 49 I HN 0.390 nan 8.210 nan 0.000 0.449 50 S N 3.169 118.682 115.700 -0.311 0.000 2.570 50 S HA 0.682 5.151 4.470 -0.001 0.000 0.286 50 S C -1.042 173.352 174.600 -0.344 0.000 1.099 50 S CA -0.666 57.413 58.200 -0.201 0.000 0.913 50 S CB 1.404 64.554 63.200 -0.084 0.000 1.085 50 S HN 0.513 nan 8.310 nan 0.000 0.480 51 F N 2.567 122.495 119.950 -0.036 0.000 2.415 51 F HA 0.482 5.009 4.527 -0.001 0.000 0.348 51 F C 1.683 177.469 175.800 -0.023 0.000 1.119 51 F CA -0.671 57.315 58.000 -0.024 0.000 1.069 51 F CB 1.398 40.392 39.000 -0.009 0.000 1.124 51 F HN 0.829 nan 8.300 nan 0.000 0.472 52 N N 1.107 119.867 118.700 0.101 0.000 2.499 52 N HA 0.020 4.760 4.740 -0.001 0.000 0.182 52 N C -0.369 175.198 175.510 0.096 0.000 1.034 52 N CA 0.705 53.793 53.050 0.063 0.000 0.882 52 N CB 0.626 39.125 38.487 0.019 0.000 1.125 52 N HN 0.544 nan 8.380 nan 0.000 0.436 53 T N 0.790 115.383 114.554 0.064 0.000 2.971 53 T HA 0.464 4.814 4.350 -0.001 0.000 0.304 53 T C -1.266 173.439 174.700 0.008 0.000 1.038 53 T CA -0.485 61.568 62.100 -0.078 0.000 1.007 53 T CB 2.628 71.304 68.868 -0.320 0.000 1.055 53 T HN -0.145 nan 8.240 nan 0.000 0.451 54 V N 2.777 122.711 119.914 0.032 0.000 2.447 54 V HA 0.784 4.903 4.120 -0.001 0.000 0.292 54 V C -0.133 176.025 176.094 0.107 0.000 1.021 54 V CA -0.466 61.889 62.300 0.093 0.000 0.850 54 V CB 1.664 33.540 31.823 0.088 0.000 1.005 54 V HN 0.989 nan 8.190 nan 0.000 0.426 55 T N 4.043 118.684 114.554 0.145 0.000 2.868 55 T HA 0.576 4.925 4.350 -0.001 0.000 0.306 55 T C -1.214 173.623 174.700 0.229 0.000 1.224 55 T CA -0.532 61.693 62.100 0.208 0.000 1.012 55 T CB 1.593 70.600 68.868 0.233 0.000 1.221 55 T HN 0.564 nan 8.240 nan 0.000 0.499 56 L N 3.249 124.594 121.223 0.204 0.000 2.540 56 L HA 0.490 4.829 4.340 -0.001 0.000 0.276 56 L C 0.309 177.267 176.870 0.147 0.000 1.212 56 L CA 0.178 55.111 54.840 0.155 0.000 0.893 56 L CB 0.302 42.434 42.059 0.122 0.000 1.138 56 L HN 0.603 nan 8.230 nan 0.000 0.491 57 R N 4.675 125.249 120.500 0.124 0.000 2.205 57 R HA 0.264 4.604 4.340 -0.001 0.000 0.342 57 R C -0.462 175.854 176.300 0.027 0.000 1.058 57 R CA -0.037 56.105 56.100 0.069 0.000 0.904 57 R CB -0.074 30.275 30.300 0.083 0.000 1.089 57 R HN 0.738 nan 8.270 nan 0.000 0.471 58 E N 5.375 125.572 120.200 -0.004 0.000 2.415 58 E HA 0.092 4.441 4.350 -0.001 0.000 0.262 58 E C -1.924 174.669 176.600 -0.013 0.000 1.038 58 E CA -1.435 54.949 56.400 -0.027 0.000 0.921 58 E CB 0.271 29.934 29.700 -0.061 0.000 0.950 58 E HN 0.523 nan 8.360 nan 0.000 0.438 59 P HA -0.032 nan 4.420 nan 0.000 0.269 59 P C -0.973 176.365 177.300 0.064 0.000 1.217 59 P CA -0.037 63.083 63.100 0.032 0.000 0.783 59 P CB 0.440 32.183 31.700 0.071 0.000 0.898 60 A N 2.348 125.210 122.820 0.070 0.000 2.531 60 A HA -0.048 4.271 4.320 -0.001 0.000 0.236 60 A C 1.793 179.446 177.584 0.116 0.000 1.062 60 A CA 0.088 52.178 52.037 0.088 0.000 0.760 60 A CB -0.351 18.690 19.000 0.068 0.000 0.995 60 A HN 0.659 nan 8.150 nan 0.000 0.501 61 R N 1.433 121.991 120.500 0.097 0.000 2.083 61 R HA -0.176 4.163 4.340 -0.001 0.000 0.237 61 R C 2.078 178.349 176.300 -0.049 0.000 1.137 61 R CA 2.147 58.212 56.100 -0.059 0.000 0.951 61 R CB -0.185 29.883 30.300 -0.388 0.000 0.851 61 R HN 0.869 nan 8.270 nan 0.000 0.434 62 K N -0.250 120.133 120.400 -0.028 0.000 2.002 62 K HA -0.135 4.184 4.320 -0.001 0.000 0.209 62 K C 1.959 178.582 176.600 0.038 0.000 1.048 62 K CA 1.519 57.797 56.287 -0.015 0.000 0.930 62 K CB -0.200 32.299 32.500 -0.002 0.000 0.714 62 K HN 0.250 nan 8.250 nan 0.000 0.438 63 A N 0.350 123.211 122.820 0.069 0.000 1.940 63 A HA -0.214 4.105 4.320 -0.001 0.000 0.219 63 A C 2.071 179.742 177.584 0.144 0.000 1.176 63 A CA 1.566 53.656 52.037 0.089 0.000 0.631 63 A CB -0.901 18.145 19.000 0.077 0.000 0.814 63 A HN 0.605 nan 8.150 nan 0.000 0.446 64 Y N 0.336 120.682 120.300 0.077 0.000 2.114 64 Y HA -0.170 4.379 4.550 -0.001 0.000 0.284 64 Y C 2.014 178.051 175.900 0.227 0.000 1.143 64 Y CA 1.877 60.072 58.100 0.158 0.000 1.135 64 Y CB -0.277 38.278 38.460 0.159 0.000 0.980 64 Y HN 0.254 nan 8.280 nan 0.000 0.499 65 I N 0.141 120.779 120.570 0.113 0.000 2.286 65 I HA -0.337 3.832 4.170 -0.001 0.000 0.248 65 I C 2.357 178.439 176.117 -0.058 0.000 1.115 65 I CA 1.512 62.812 61.300 0.001 0.000 1.392 65 I CB -0.439 37.562 38.000 0.003 0.000 1.065 65 I HN 0.366 nan 8.210 nan 0.000 0.418 66 Q N -0.525 119.269 119.800 -0.009 0.000 2.119 66 Q HA -0.264 4.076 4.340 -0.001 0.000 0.201 66 Q C 2.008 177.999 176.000 -0.014 0.000 0.972 66 Q CA 2.030 57.825 55.803 -0.012 0.000 0.847 66 Q CB -0.276 28.473 28.738 0.018 0.000 0.903 66 Q HN 0.648 nan 8.270 nan 0.000 0.433 67 W N 1.826 123.020 121.300 -0.176 0.000 2.379 67 W HA -0.155 4.505 4.660 -0.001 0.000 0.307 67 W C 2.057 178.426 176.519 -0.250 0.000 1.200 67 W CA 1.323 58.550 57.345 -0.198 0.000 1.297 67 W CB -0.018 29.313 29.460 -0.215 0.000 1.140 67 W HN -0.128 nan 8.180 nan 0.000 0.507 68 K N 0.118 120.239 120.400 -0.466 0.000 2.097 68 K HA -0.168 4.151 4.320 -0.001 0.000 0.205 68 K C 1.243 177.546 176.600 -0.495 0.000 1.050 68 K CA 1.962 57.800 56.287 -0.748 0.000 0.938 68 K CB -0.123 32.077 32.500 -0.499 0.000 0.718 68 K HN 0.298 nan 8.250 nan 0.000 0.442 69 E N -1.367 118.653 120.200 -0.302 0.000 2.571 69 E HA 0.050 4.400 4.350 -0.001 0.000 0.222 69 E C 0.332 176.841 176.600 -0.152 0.000 0.904 69 E CA -0.024 56.260 56.400 -0.193 0.000 1.157 69 E CB 1.034 30.665 29.700 -0.115 0.000 1.158 69 E HN 0.207 nan 8.360 nan 0.000 0.540 70 Q N -0.343 119.369 119.800 -0.147 0.000 2.110 70 Q HA 0.223 4.562 4.340 -0.001 0.000 0.232 70 Q C 0.390 176.333 176.000 -0.096 0.000 0.810 70 Q CA 0.199 55.943 55.803 -0.098 0.000 1.083 70 Q CB 1.744 30.444 28.738 -0.063 0.000 1.193 70 Q HN 0.284 nan 8.270 nan 0.000 0.471 71 G N 0.777 109.490 108.800 -0.146 0.000 2.203 71 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.263 71 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.263 71 G C 0.457 175.322 174.900 -0.059 0.000 1.012 71 G CA 0.022 45.049 45.100 -0.122 0.000 0.749 71 G HN 0.503 nan 8.290 nan 0.000 0.512 72 G N 0.042 108.821 108.800 -0.034 0.000 2.667 72 G HA2 0.579 4.539 3.960 -0.001 0.000 0.250 72 G HA3 0.579 4.539 3.960 -0.001 0.000 0.250 72 G C -1.235 173.744 174.900 0.132 0.000 1.212 72 G CA -0.278 44.849 45.100 0.045 0.000 0.874 72 G HN 0.336 nan 8.290 nan 0.000 0.561 73 P HA 0.126 nan 4.420 nan 0.000 0.271 73 P C -0.213 177.192 177.300 0.174 0.000 1.218 73 P CA -0.676 62.504 63.100 0.134 0.000 0.780 73 P CB 1.097 32.837 31.700 0.068 0.000 0.901 74 L N 5.193 126.496 121.223 0.133 0.000 2.534 74 L HA 0.159 4.498 4.340 -0.001 0.000 0.271 74 L C -2.051 174.733 176.870 -0.144 0.000 1.178 74 L CA -1.177 53.585 54.840 -0.130 0.000 0.907 74 L CB -1.028 40.968 42.059 -0.105 0.000 1.164 74 L HN 0.291 nan 8.230 nan 0.000 0.482 75 P HA 0.135 nan 4.420 nan 0.000 0.267 75 P C -2.474 174.769 177.300 -0.096 0.000 1.200 75 P CA -0.723 62.312 63.100 -0.108 0.000 0.772 75 P CB -0.301 31.340 31.700 -0.097 0.000 0.855 76 P HA 0.126 nan 4.420 nan 0.000 0.267 76 P C -0.351 176.932 177.300 -0.028 0.000 1.200 76 P CA -0.010 63.075 63.100 -0.026 0.000 0.772 76 P CB 0.386 32.085 31.700 -0.002 0.000 0.855 77 R N 2.988 123.477 120.500 -0.019 0.000 2.205 77 R HA 0.401 4.741 4.340 -0.001 0.000 0.342 77 R C -1.022 175.292 176.300 0.023 0.000 1.058 77 R CA 0.015 56.111 56.100 -0.006 0.000 0.904 77 R CB -0.828 29.467 30.300 -0.008 0.000 1.089 77 R HN 0.413 nan 8.270 nan 0.000 0.471 78 L N 3.063 124.309 121.223 0.038 0.000 2.346 78 L HA 0.768 5.107 4.340 -0.001 0.000 0.274 78 L C -0.272 176.660 176.870 0.102 0.000 1.007 78 L CA -1.264 53.617 54.840 0.068 0.000 0.818 78 L CB 2.175 44.273 42.059 0.065 0.000 1.284 78 L HN 0.669 nan 8.230 nan 0.000 0.424 79 A N 2.077 124.977 122.820 0.133 0.000 2.318 79 A HA 0.569 4.889 4.320 -0.001 0.000 0.324 79 A C -1.512 176.222 177.584 0.250 0.000 1.170 79 A CA -0.375 51.769 52.037 0.177 0.000 0.810 79 A CB 0.897 19.988 19.000 0.152 0.000 1.198 79 A HN 0.610 nan 8.150 nan 0.000 0.484 80 Y N 3.215 123.584 120.300 0.117 0.000 2.330 80 Y HA 0.580 5.130 4.550 -0.001 0.000 0.336 80 Y C -0.847 175.134 175.900 0.135 0.000 1.036 80 Y CA -0.930 57.214 58.100 0.073 0.000 1.125 80 Y CB 0.825 39.308 38.460 0.039 0.000 1.194 80 Y HN 0.700 nan 8.280 nan 0.000 0.469 81 Y N 3.538 123.555 120.300 -0.471 0.000 2.499 81 Y HA 0.812 5.361 4.550 -0.001 0.000 0.347 81 Y C -1.972 173.573 175.900 -0.591 0.000 0.987 81 Y CA -1.712 56.163 58.100 -0.376 0.000 1.044 81 Y CB 1.167 39.616 38.460 -0.018 0.000 1.245 81 Y HN 0.351 nan 8.280 nan 0.000 0.461 82 V N 5.396 125.171 119.914 -0.232 0.000 2.531 82 V HA 0.556 4.675 4.120 -0.001 0.000 0.301 82 V C -0.166 175.907 176.094 -0.035 0.000 1.034 82 V CA -0.764 61.437 62.300 -0.164 0.000 0.865 82 V CB 1.253 33.013 31.823 -0.104 0.000 0.995 82 V HN 0.851 nan 8.190 nan 0.000 0.424 83 I N 2.447 122.961 120.570 -0.093 0.000 2.892 83 I HA 0.800 4.969 4.170 -0.001 0.000 0.306 83 I C -1.397 174.574 176.117 -0.244 0.000 1.078 83 I CA -1.119 60.025 61.300 -0.261 0.000 1.032 83 I CB 2.174 39.880 38.000 -0.491 0.000 1.229 83 I HN 0.302 nan 8.210 nan 0.000 0.435 84 L N 2.470 123.541 121.223 -0.255 0.000 2.330 84 L HA 0.570 4.910 4.340 -0.001 0.000 0.271 84 L C -0.235 176.490 176.870 -0.242 0.000 1.013 84 L CA -0.207 54.510 54.840 -0.205 0.000 0.816 84 L CB 1.598 43.574 42.059 -0.138 0.000 1.287 84 L HN 0.709 nan 8.230 nan 0.000 0.435 85 E N 1.127 121.209 120.200 -0.197 0.000 2.210 85 E HA 0.681 5.031 4.350 -0.001 0.000 0.266 85 E C -0.969 175.564 176.600 -0.110 0.000 0.883 85 E CA -1.042 55.251 56.400 -0.179 0.000 0.761 85 E CB 1.716 31.298 29.700 -0.197 0.000 1.156 85 E HN 0.727 nan 8.360 nan 0.000 0.412 86 A N 2.745 125.512 122.820 -0.088 0.000 2.567 86 A HA 0.384 4.703 4.320 -0.001 0.000 0.240 86 A C 1.237 178.794 177.584 -0.046 0.000 1.053 86 A CA 0.965 52.967 52.037 -0.057 0.000 0.755 86 A CB -0.503 18.470 19.000 -0.044 0.000 0.978 86 A HN 1.169 nan 8.150 nan 0.000 0.507 87 G N 1.449 110.228 108.800 -0.035 0.000 2.189 87 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.267 87 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.267 87 G C 0.226 175.111 174.900 -0.025 0.000 0.975 87 G CA 0.820 45.905 45.100 -0.025 0.000 0.644 87 G HN 0.749 nan 8.290 nan 0.000 0.537 88 K N 0.909 121.286 120.400 -0.038 0.000 2.221 88 K HA 0.537 4.857 4.320 -0.001 0.000 0.258 88 K C -2.315 174.263 176.600 -0.038 0.000 0.944 88 K CA -1.721 54.544 56.287 -0.036 0.000 0.823 88 K CB 2.481 34.951 32.500 -0.051 0.000 1.113 88 K HN 0.154 nan 8.250 nan 0.000 0.431 89 P HA 0.255 nan 4.420 nan 0.000 0.281 89 P C 0.527 177.806 177.300 -0.035 0.000 1.249 89 P CA 0.154 63.242 63.100 -0.021 0.000 0.810 89 P CB 0.894 32.593 31.700 -0.002 0.000 1.008 90 G N 0.799 109.575 108.800 -0.040 0.000 2.527 90 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.268 90 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.268 90 G C -0.351 174.487 174.900 -0.102 0.000 1.175 90 G CA 0.392 45.453 45.100 -0.064 0.000 0.962 90 G HN 1.014 nan 8.290 nan 0.000 0.560 91 V N -3.598 116.237 119.914 -0.132 0.000 3.181 91 V HA 0.936 5.056 4.120 -0.001 0.000 0.308 91 V C -0.510 175.505 176.094 -0.132 0.000 1.214 91 V CA -0.669 61.535 62.300 -0.162 0.000 1.053 91 V CB 1.915 33.594 31.823 -0.240 0.000 1.069 91 V HN 1.048 nan 8.190 nan 0.000 0.441 92 K N 1.068 121.388 120.400 -0.133 0.000 2.318 92 K HA 0.703 5.023 4.320 -0.001 0.000 0.249 92 K C -0.960 175.586 176.600 -0.090 0.000 0.942 92 K CA -0.566 55.681 56.287 -0.066 0.000 0.808 92 K CB 2.375 34.855 32.500 -0.034 0.000 1.189 92 K HN 1.013 nan 8.250 nan 0.000 0.428 93 E N 0.393 120.518 120.200 -0.125 0.000 2.433 93 E HA 0.803 5.152 4.350 -0.001 0.000 0.273 93 E C -0.421 175.829 176.600 -0.584 0.000 0.950 93 E CA -1.227 54.932 56.400 -0.402 0.000 0.796 93 E CB 2.246 31.857 29.700 -0.148 0.000 1.330 93 E HN 0.643 nan 8.360 nan 0.000 0.455 94 G N 0.086 108.225 108.800 -1.102 0.000 2.325 94 G HA2 0.376 4.336 3.960 -0.001 0.000 0.295 94 G HA3 0.376 4.336 3.960 -0.001 0.000 0.295 94 G C -1.815 172.800 174.900 -0.475 0.000 1.274 94 G CA -0.987 43.725 45.100 -0.646 0.000 0.857 94 G HN 0.415 nan 8.290 nan 0.000 0.499 95 L N -0.088 121.119 121.223 -0.027 0.000 2.381 95 L HA 0.726 5.065 4.340 -0.001 0.000 0.268 95 L C -0.539 176.465 176.870 0.223 0.000 0.997 95 L CA -1.200 53.726 54.840 0.142 0.000 0.818 95 L CB 2.320 44.441 42.059 0.103 0.000 1.310 95 L HN 0.337 nan 8.230 nan 0.000 0.416 96 V N 0.903 120.951 119.914 0.224 0.000 2.384 96 V HA 0.166 4.286 4.120 -0.001 0.000 0.287 96 V C -0.526 175.622 176.094 0.090 0.000 1.020 96 V CA -0.523 61.859 62.300 0.136 0.000 0.850 96 V CB 1.833 33.728 31.823 0.120 0.000 0.987 96 V HN 0.721 nan 8.190 nan 0.000 0.436 97 D N 3.594 124.029 120.400 0.058 0.000 2.339 97 D HA 0.239 4.878 4.640 -0.001 0.000 0.256 97 D C 0.918 177.239 176.300 0.035 0.000 1.214 97 D CA -0.096 53.929 54.000 0.042 0.000 0.877 97 D CB 1.042 41.861 40.800 0.031 0.000 1.111 97 D HN 0.455 nan 8.370 nan 0.000 0.478 98 L N 3.598 124.841 121.223 0.034 0.000 2.313 98 L HA 0.042 4.382 4.340 -0.001 0.000 0.214 98 L C 2.265 179.146 176.870 0.018 0.000 1.119 98 L CA 0.664 55.520 54.840 0.027 0.000 0.809 98 L CB -0.208 41.868 42.059 0.028 0.000 0.933 98 L HN 0.575 nan 8.230 nan 0.000 0.449 99 A N 0.016 122.845 122.820 0.016 0.000 1.872 99 A HA -0.163 4.156 4.320 -0.001 0.000 0.214 99 A C 2.407 179.999 177.584 0.014 0.000 1.187 99 A CA 1.744 53.788 52.037 0.012 0.000 0.614 99 A CB -0.541 18.465 19.000 0.009 0.000 0.826 99 A HN 0.444 nan 8.150 nan 0.000 0.442 100 S N -0.984 114.726 115.700 0.016 0.000 2.593 100 S HA 0.313 4.782 4.470 -0.001 0.000 0.217 100 S C 0.590 175.202 174.600 0.019 0.000 0.966 100 S CA 0.269 58.480 58.200 0.017 0.000 0.914 100 S CB -0.620 62.591 63.200 0.019 0.000 0.776 100 S HN 0.606 nan 8.310 nan 0.000 0.523 101 L N 1.893 123.127 121.223 0.019 0.000 3.762 101 L HA -0.180 4.159 4.340 -0.001 0.000 0.460 101 L C 0.106 176.990 176.870 0.024 0.000 1.255 101 L CA 0.496 55.348 54.840 0.019 0.000 0.783 101 L CB -2.303 39.765 42.059 0.015 0.000 1.600 101 L HN 0.721 nan 8.230 nan 0.000 0.862 102 S N -2.112 113.603 115.700 0.024 0.000 2.546 102 S HA 0.719 5.188 4.470 -0.001 0.000 0.274 102 S C -0.330 174.270 174.600 0.001 0.000 1.121 102 S CA -0.981 57.233 58.200 0.023 0.000 0.887 102 S CB 2.522 65.741 63.200 0.032 0.000 1.094 102 S HN -0.004 nan 8.310 nan 0.000 0.474 103 V N 3.756 123.636 119.914 -0.057 0.000 2.479 103 V HA 0.191 4.310 4.120 -0.001 0.000 0.281 103 V C 1.244 177.282 176.094 -0.094 0.000 1.031 103 V CA 0.092 62.301 62.300 -0.151 0.000 1.038 103 V CB 0.034 31.497 31.823 -0.600 0.000 0.981 103 V HN 0.902 nan 8.190 nan 0.000 0.478 104 I N 0.969 121.523 120.570 -0.026 0.000 4.070 104 I HA 0.531 4.700 4.170 -0.001 0.000 0.328 104 I C 0.594 176.710 176.117 -0.001 0.000 1.298 104 I CA 0.346 61.645 61.300 -0.002 0.000 1.173 104 I CB 0.480 38.493 38.000 0.021 0.000 1.051 104 I HN 0.610 nan 8.210 nan 0.000 0.409 105 E N 0.494 120.687 120.200 -0.011 0.000 2.354 105 E HA 0.452 4.801 4.350 -0.001 0.000 0.283 105 E C -1.424 175.165 176.600 -0.018 0.000 0.938 105 E CA -0.459 55.941 56.400 -0.001 0.000 0.777 105 E CB 2.454 32.163 29.700 0.016 0.000 1.222 105 E HN 0.090 nan 8.360 nan 0.000 0.423 106 T N 2.541 117.096 114.554 0.002 0.000 2.932 106 T HA 0.643 4.992 4.350 -0.001 0.000 0.318 106 T C -1.962 172.775 174.700 0.061 0.000 1.265 106 T CA -0.686 61.432 62.100 0.031 0.000 1.036 106 T CB 0.932 69.837 68.868 0.062 0.000 1.209 106 T HN 0.591 nan 8.240 nan 0.000 0.484 107 R N 1.770 122.309 120.500 0.065 0.000 2.629 107 R HA 0.810 5.150 4.340 -0.001 0.000 0.266 107 R C -1.510 174.830 176.300 0.067 0.000 1.051 107 R CA -1.156 54.987 56.100 0.071 0.000 0.895 107 R CB 1.201 31.531 30.300 0.051 0.000 1.246 107 R HN 0.663 nan 8.270 nan 0.000 0.459 108 A N 3.624 126.484 122.820 0.067 0.000 2.301 108 A HA 0.591 4.911 4.320 -0.001 0.000 0.298 108 A C -0.478 177.115 177.584 0.014 0.000 1.185 108 A CA -0.813 51.248 52.037 0.040 0.000 0.830 108 A CB 0.524 19.556 19.000 0.054 0.000 1.112 108 A HN 0.630 nan 8.150 nan 0.000 0.508 109 L N 3.148 124.360 121.223 -0.019 0.000 2.384 109 L HA 0.316 4.655 4.340 -0.001 0.000 0.261 109 L C 0.689 177.535 176.870 -0.041 0.000 1.024 109 L CA -0.064 54.759 54.840 -0.028 0.000 0.899 109 L CB 1.187 43.214 42.059 -0.054 0.000 1.243 109 L HN 0.900 nan 8.230 nan 0.000 0.449 110 E N 0.403 120.595 120.200 -0.013 0.000 2.427 110 E HA -0.069 4.281 4.350 -0.001 0.000 0.196 110 E C 0.937 177.538 176.600 0.001 0.000 1.028 110 E CA 1.032 57.427 56.400 -0.009 0.000 0.864 110 E CB 0.362 30.065 29.700 0.005 0.000 0.813 110 E HN 0.667 nan 8.360 nan 0.000 0.514 111 T N -1.919 112.641 114.554 0.009 0.000 3.296 111 T HA 0.294 4.643 4.350 -0.001 0.000 0.285 111 T C 0.125 174.853 174.700 0.047 0.000 1.014 111 T CA -0.528 61.594 62.100 0.038 0.000 0.920 111 T CB -0.195 68.705 68.868 0.053 0.000 1.143 111 T HN -0.024 nan 8.240 nan 0.000 0.522 112 V N -2.302 117.615 119.914 0.005 0.000 3.074 112 V HA 0.838 4.958 4.120 -0.001 0.000 0.314 112 V C -1.524 174.557 176.094 -0.022 0.000 1.117 112 V CA -1.092 61.213 62.300 0.007 0.000 1.014 112 V CB 2.318 34.119 31.823 -0.035 0.000 1.057 112 V HN 0.153 nan 8.190 nan 0.000 0.438 113 Q N 1.861 121.674 119.800 0.021 0.000 2.375 113 Q HA 0.640 4.980 4.340 -0.001 0.000 0.271 113 Q C -2.844 173.173 176.000 0.028 0.000 1.074 113 Q CA -1.725 54.081 55.803 0.005 0.000 0.808 113 Q CB 2.851 31.616 28.738 0.044 0.000 1.327 113 Q HN 0.733 nan 8.270 nan 0.000 0.441 114 P HA 0.328 nan 4.420 nan 0.000 0.284 114 P C 0.044 177.399 177.300 0.093 0.000 1.287 114 P CA -0.792 62.373 63.100 0.107 0.000 0.824 114 P CB 1.307 33.039 31.700 0.053 0.000 1.180 115 I N 0.218 120.867 120.570 0.132 0.000 2.948 115 I HA -0.124 4.046 4.170 -0.001 0.000 0.303 115 I C 0.018 176.187 176.117 0.087 0.000 1.224 115 I CA 0.240 61.594 61.300 0.089 0.000 1.442 115 I CB 0.068 38.186 38.000 0.196 0.000 1.328 115 I HN 0.127 nan 8.210 nan 0.000 0.578 116 L N 7.608 128.857 121.223 0.042 0.000 2.278 116 L HA 0.246 4.586 4.340 -0.001 0.000 0.287 116 L C 0.584 177.523 176.870 0.114 0.000 1.072 116 L CA -0.466 54.426 54.840 0.087 0.000 0.819 116 L CB 0.826 42.967 42.059 0.137 0.000 1.176 116 L HN 0.665 nan 8.230 nan 0.000 0.435 117 T N -0.703 113.840 114.554 -0.018 0.000 2.849 117 T HA 0.157 4.506 4.350 -0.001 0.000 0.284 117 T C 1.352 175.977 174.700 -0.126 0.000 1.004 117 T CA -0.360 61.584 62.100 -0.261 0.000 1.021 117 T CB 1.699 70.312 68.868 -0.424 0.000 1.013 117 T HN 0.386 nan 8.240 nan 0.000 0.527 118 V N -0.182 119.634 119.914 -0.163 0.000 2.594 118 V HA -0.079 4.041 4.120 -0.001 0.000 0.253 118 V C 2.135 178.218 176.094 -0.017 0.000 1.069 118 V CA 1.735 64.016 62.300 -0.031 0.000 1.082 118 V CB -1.107 30.724 31.823 0.012 0.000 0.680 118 V HN 0.951 nan 8.190 nan 0.000 0.469 119 E N 1.547 121.716 120.200 -0.052 0.000 2.001 119 E HA -0.252 4.098 4.350 -0.001 0.000 0.195 119 E C 1.912 178.511 176.600 -0.002 0.000 1.002 119 E CA 1.797 58.186 56.400 -0.019 0.000 0.819 119 E CB -0.349 29.335 29.700 -0.027 0.000 0.769 119 E HN 0.955 nan 8.360 nan 0.000 0.454 120 D N 0.698 121.091 120.400 -0.011 0.000 2.354 120 D HA -0.178 4.461 4.640 -0.001 0.000 0.216 120 D C 1.883 178.203 176.300 0.035 0.000 0.970 120 D CA 0.866 54.871 54.000 0.009 0.000 0.905 120 D CB -0.273 40.529 40.800 0.002 0.000 0.903 120 D HN 0.279 nan 8.370 nan 0.000 0.508 121 L N -2.564 118.687 121.223 0.047 0.000 2.357 121 L HA 0.332 4.671 4.340 -0.001 0.000 0.211 121 L C 1.835 178.745 176.870 0.068 0.000 1.075 121 L CA 0.171 55.056 54.840 0.076 0.000 0.830 121 L CB -0.702 41.424 42.059 0.112 0.000 0.996 121 L HN -0.044 nan 8.230 nan 0.000 0.467 122 C N 1.308 120.640 119.300 0.053 0.000 2.413 122 C HA -0.075 4.384 4.460 -0.001 0.000 0.292 122 C C 2.962 177.980 174.990 0.046 0.000 1.435 122 C CA 1.194 60.244 59.018 0.054 0.000 1.791 122 C CB -1.580 26.188 27.740 0.047 0.000 1.784 122 C HN 0.840 nan 8.230 nan 0.000 0.548 123 S N -0.833 114.890 115.700 0.040 0.000 2.470 123 S HA -0.096 4.373 4.470 -0.001 0.000 0.225 123 S C 1.471 176.090 174.600 0.033 0.000 1.006 123 S CA 1.428 59.646 58.200 0.030 0.000 0.934 123 S CB -0.645 62.569 63.200 0.022 0.000 0.778 123 S HN 0.609 nan 8.310 nan 0.000 0.517 124 T N 2.247 116.829 114.554 0.047 0.000 2.821 124 T HA -0.035 4.315 4.350 -0.001 0.000 0.267 124 T C 1.638 176.365 174.700 0.045 0.000 1.046 124 T CA 1.488 63.618 62.100 0.050 0.000 1.139 124 T CB -0.300 68.613 68.868 0.074 0.000 0.871 124 T HN 0.587 nan 8.240 nan 0.000 0.454 125 E N 0.847 121.073 120.200 0.045 0.000 2.058 125 E HA -0.163 4.186 4.350 -0.001 0.000 0.194 125 E C 2.375 178.973 176.600 -0.002 0.000 0.997 125 E CA 0.926 57.340 56.400 0.023 0.000 0.801 125 E CB 0.021 29.728 29.700 0.012 0.000 0.746 125 E HN 0.395 nan 8.360 nan 0.000 0.450 126 E N -0.082 120.117 120.200 -0.001 0.000 2.110 126 E HA -0.167 4.183 4.350 -0.001 0.000 0.193 126 E C 2.125 178.726 176.600 0.003 0.000 0.988 126 E CA 0.994 57.391 56.400 -0.006 0.000 0.804 126 E CB 0.141 29.841 29.700 -0.001 0.000 0.745 126 E HN 0.160 nan 8.360 nan 0.000 0.458 127 V N 1.813 121.734 119.914 0.011 0.000 2.295 127 V HA -0.273 3.846 4.120 -0.001 0.000 0.246 127 V C 2.523 178.628 176.094 0.018 0.000 1.049 127 V CA 1.980 64.288 62.300 0.013 0.000 1.024 127 V CB -0.616 31.215 31.823 0.014 0.000 0.648 127 V HN 0.391 nan 8.190 nan 0.000 0.447 128 I N -1.491 119.096 120.570 0.029 0.000 2.439 128 I HA -0.118 4.052 4.170 -0.001 0.000 0.251 128 I C 2.485 178.627 176.117 0.041 0.000 1.139 128 I CA 1.436 62.764 61.300 0.046 0.000 1.438 128 I CB -0.572 37.471 38.000 0.071 0.000 1.085 128 I HN 0.032 nan 8.210 nan 0.000 0.427 129 R N 1.183 121.695 120.500 0.021 0.000 2.152 129 R HA -0.009 4.330 4.340 -0.001 0.000 0.232 129 R C 1.238 177.547 176.300 0.016 0.000 1.117 129 R CA 1.285 57.393 56.100 0.014 0.000 0.981 129 R CB -0.384 29.907 30.300 -0.014 0.000 0.870 129 R HN 0.544 nan 8.270 nan 0.000 0.451 130 N N 0.530 119.237 118.700 0.012 0.000 2.205 130 N HA -0.037 4.703 4.740 -0.001 0.000 0.201 130 N C -0.700 174.813 175.510 0.005 0.000 1.128 130 N CA 0.108 53.162 53.050 0.007 0.000 0.867 130 N CB 0.534 39.023 38.487 0.003 0.000 0.996 130 N HN 0.149 nan 8.380 nan 0.000 0.503 131 D N 1.144 121.549 120.400 0.008 0.000 2.295 131 D HA 0.162 4.801 4.640 -0.001 0.000 0.248 131 D C -1.592 174.702 176.300 -0.010 0.000 1.154 131 D CA -1.919 52.081 54.000 0.001 0.000 0.857 131 D CB 1.887 42.691 40.800 0.006 0.000 1.117 131 D HN -0.079 nan 8.370 nan 0.000 0.468 132 P HA -0.137 nan 4.420 nan 0.000 0.216 132 P C 0.832 178.101 177.300 -0.053 0.000 1.150 132 P CA 1.061 64.143 63.100 -0.030 0.000 0.837 132 P CB 0.151 31.835 31.700 -0.027 0.000 0.786 133 A N -0.646 122.137 122.820 -0.061 0.000 1.898 133 A HA -0.133 4.186 4.320 -0.001 0.000 0.216 133 A C 2.321 179.822 177.584 -0.138 0.000 1.181 133 A CA 1.659 53.636 52.037 -0.100 0.000 0.620 133 A CB -1.637 17.304 19.000 -0.099 0.000 0.819 133 A HN 0.034 nan 8.150 nan 0.000 0.442 134 V N 0.256 120.120 119.914 -0.083 0.000 2.358 134 V HA -0.256 3.863 4.120 -0.001 0.000 0.246 134 V C 2.410 178.455 176.094 -0.082 0.000 1.047 134 V CA 1.951 64.213 62.300 -0.064 0.000 1.035 134 V CB -0.682 31.185 31.823 0.074 0.000 0.658 134 V HN 0.568 nan 8.190 nan 0.000 0.452 135 I N 0.093 120.637 120.570 -0.043 0.000 2.208 135 I HA -0.284 3.885 4.170 -0.001 0.000 0.245 135 I C 2.622 178.695 176.117 -0.074 0.000 1.097 135 I CA 2.028 63.311 61.300 -0.028 0.000 1.363 135 I CB -0.392 37.601 38.000 -0.013 0.000 1.051 135 I HN 0.435 nan 8.210 nan 0.000 0.413 136 E N 0.617 120.751 120.200 -0.109 0.000 2.118 136 E HA -0.276 4.074 4.350 -0.001 0.000 0.195 136 E C 2.166 178.647 176.600 -0.197 0.000 0.992 136 E CA 1.215 57.538 56.400 -0.129 0.000 0.804 136 E CB 0.117 29.742 29.700 -0.126 0.000 0.741 136 E HN 0.434 nan 8.360 nan 0.000 0.458 137 Q N -0.058 119.533 119.800 -0.348 0.000 2.172 137 Q HA -0.102 4.238 4.340 -0.001 0.000 0.200 137 Q C 2.393 178.159 176.000 -0.390 0.000 0.964 137 Q CA 1.021 56.464 55.803 -0.599 0.000 0.855 137 Q CB -0.554 27.340 28.738 -1.407 0.000 0.918 137 Q HN 0.439 nan 8.270 nan 0.000 0.444 138 C N -0.122 119.078 119.300 -0.166 0.000 2.432 138 C HA -0.082 4.377 4.460 -0.001 0.000 0.277 138 C C 2.859 177.851 174.990 0.003 0.000 1.249 138 C CA 0.539 59.598 59.018 0.067 0.000 1.725 138 C CB -0.988 26.820 27.740 0.114 0.000 2.028 138 C HN 0.252 nan 8.230 nan 0.000 0.477 139 V N 1.050 120.941 119.914 -0.037 0.000 2.287 139 V HA -0.240 3.880 4.120 -0.001 0.000 0.248 139 V C 2.324 178.392 176.094 -0.043 0.000 1.053 139 V CA 1.923 64.202 62.300 -0.035 0.000 1.027 139 V CB -0.691 31.110 31.823 -0.038 0.000 0.646 139 V HN 0.557 nan 8.190 nan 0.000 0.447 140 L N -0.038 121.145 121.223 -0.067 0.000 2.191 140 L HA -0.139 4.201 4.340 -0.001 0.000 0.212 140 L C 2.231 179.082 176.870 -0.032 0.000 1.103 140 L CA 1.435 56.239 54.840 -0.060 0.000 0.769 140 L CB -0.449 41.556 42.059 -0.090 0.000 0.908 140 L HN 0.288 nan 8.230 nan 0.000 0.438 141 S N -0.636 115.058 115.700 -0.011 0.000 2.593 141 S HA 0.187 4.657 4.470 -0.001 0.000 0.217 141 S C 1.357 175.944 174.600 -0.020 0.000 0.966 141 S CA 0.660 58.873 58.200 0.023 0.000 0.914 141 S CB 0.469 63.746 63.200 0.128 0.000 0.776 141 S HN 0.648 nan 8.310 nan 0.000 0.523 142 G N 1.369 110.148 108.800 -0.036 0.000 2.144 142 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.218 142 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.218 142 G C -0.079 174.769 174.900 -0.088 0.000 0.988 142 G CA -0.426 44.639 45.100 -0.059 0.000 0.659 142 G HN 0.491 nan 8.290 nan 0.000 0.522 143 I N 1.933 122.460 120.570 -0.071 0.000 2.390 143 I HA 0.324 4.493 4.170 -0.001 0.000 0.283 143 I C -2.170 173.943 176.117 -0.006 0.000 1.016 143 I CA -2.460 58.801 61.300 -0.065 0.000 1.151 143 I CB 1.984 39.949 38.000 -0.059 0.000 1.293 143 I HN -0.164 nan 8.210 nan 0.000 0.458 144 P HA 0.021 nan 4.420 nan 0.000 0.268 144 P C 0.603 177.923 177.300 0.034 0.000 1.208 144 P CA -0.036 63.075 63.100 0.018 0.000 0.777 144 P CB 0.889 32.605 31.700 0.025 0.000 0.875 145 A N 3.145 125.980 122.820 0.025 0.000 2.024 145 A HA -0.227 4.092 4.320 -0.001 0.000 0.220 145 A C 1.527 179.143 177.584 0.053 0.000 1.164 145 A CA 2.007 54.063 52.037 0.031 0.000 0.643 145 A CB -1.349 17.660 19.000 0.015 0.000 0.806 145 A HN 0.723 nan 8.150 nan 0.000 0.451 146 N N -0.235 118.501 118.700 0.061 0.000 2.515 146 N HA -0.033 4.706 4.740 -0.001 0.000 0.191 146 N C 0.476 176.080 175.510 0.157 0.000 1.182 146 N CA 0.854 53.958 53.050 0.089 0.000 0.879 146 N CB -0.261 38.267 38.487 0.067 0.000 0.984 146 N HN 0.635 nan 8.380 nan 0.000 0.453 147 E N -0.496 119.779 120.200 0.125 0.000 2.624 147 E HA 0.203 4.553 4.350 -0.001 0.000 0.210 147 E C 0.732 177.342 176.600 0.016 0.000 0.997 147 E CA -0.306 56.145 56.400 0.085 0.000 0.999 147 E CB 0.210 29.963 29.700 0.087 0.000 1.040 147 E HN 0.157 nan 8.360 nan 0.000 0.469 148 M N 0.941 120.592 119.600 0.084 0.000 2.358 148 M HA -0.134 4.345 4.480 -0.001 0.000 0.264 148 M C 2.019 178.319 176.300 -0.001 0.000 1.064 148 M CA 1.420 56.751 55.300 0.052 0.000 1.093 148 M CB -1.026 31.609 32.600 0.059 0.000 1.401 148 M HN 0.353 nan 8.290 nan 0.000 0.440 149 H N -0.915 118.141 119.070 -0.022 0.000 2.546 149 H HA 0.028 4.583 4.556 -0.001 0.000 0.277 149 H C 0.993 176.254 175.328 -0.111 0.000 1.004 149 H CA 0.729 56.726 56.048 -0.086 0.000 1.231 149 H CB -0.421 29.309 29.762 -0.053 0.000 1.382 149 H HN 0.359 nan 8.280 nan 0.000 0.580 150 K N 1.024 121.137 120.400 -0.479 0.000 2.404 150 K HA 0.199 4.519 4.320 -0.001 0.000 0.194 150 K C 0.012 176.623 176.600 0.019 0.000 1.023 150 K CA -0.055 56.072 56.287 -0.267 0.000 1.094 150 K CB 1.084 33.397 32.500 -0.310 0.000 0.841 150 K HN 0.024 nan 8.250 nan 0.000 0.523 151 V N 1.674 121.576 119.914 -0.021 0.000 2.439 151 V HA 0.255 4.375 4.120 -0.001 0.000 0.282 151 V C -0.656 175.389 176.094 -0.083 0.000 1.039 151 V CA -0.593 61.773 62.300 0.110 0.000 0.913 151 V CB 0.485 32.374 31.823 0.110 0.000 0.983 151 V HN 0.050 nan 8.190 nan 0.000 0.460 152 Y N 2.669 123.007 120.300 0.062 0.000 2.602 152 Y HA 0.734 5.284 4.550 -0.001 0.000 0.342 152 Y C 0.221 176.182 175.900 0.101 0.000 1.029 152 Y CA -0.721 57.413 58.100 0.057 0.000 1.080 152 Y CB 2.198 40.666 38.460 0.014 0.000 1.284 152 Y HN 0.846 nan 8.280 nan 0.000 0.485 153 C N -1.160 118.295 119.300 0.259 0.000 2.985 153 C HA 0.612 5.071 4.460 -0.001 0.000 0.314 153 C C -1.543 173.607 174.990 0.268 0.000 1.215 153 C CA -1.042 58.123 59.018 0.245 0.000 1.414 153 C CB 1.499 29.322 27.740 0.138 0.000 1.842 153 C HN 0.724 nan 8.230 nan 0.000 0.477 154 D N 4.103 124.707 120.400 0.339 0.000 2.347 154 D HA 0.425 5.065 4.640 -0.001 0.000 0.235 154 D C -2.316 174.236 176.300 0.420 0.000 1.149 154 D CA -1.119 53.113 54.000 0.387 0.000 0.850 154 D CB 1.506 42.637 40.800 0.552 0.000 1.061 154 D HN 0.514 nan 8.370 nan 0.000 0.487 155 P HA 0.182 nan 4.420 nan 0.000 0.286 155 P C -0.756 176.800 177.300 0.426 0.000 1.321 155 P CA -0.527 62.755 63.100 0.303 0.000 0.790 155 P CB 0.249 32.066 31.700 0.194 0.000 0.897 156 W N 1.359 122.736 121.300 0.128 0.000 2.578 156 W HA 0.401 5.061 4.660 -0.001 0.000 0.346 156 W C 1.039 177.682 176.519 0.206 0.000 1.075 156 W CA -0.572 56.900 57.345 0.211 0.000 1.233 156 W CB 0.789 30.337 29.460 0.146 0.000 1.358 156 W HN 0.159 nan 8.180 nan 0.000 0.574 157 T N 2.088 116.924 114.554 0.471 0.000 2.906 157 T HA -0.051 4.298 4.350 -0.001 0.000 0.320 157 T C 1.258 176.094 174.700 0.226 0.000 1.088 157 T CA 0.004 62.239 62.100 0.226 0.000 1.120 157 T CB 0.311 69.206 68.868 0.044 0.000 1.000 157 T HN 0.471 nan 8.240 nan 0.000 0.550 158 I N 2.858 123.503 120.570 0.124 0.000 2.567 158 I HA 0.014 4.184 4.170 -0.001 0.000 0.257 158 I C 1.739 177.896 176.117 0.068 0.000 1.184 158 I CA 1.671 63.020 61.300 0.081 0.000 1.451 158 I CB -0.719 37.306 38.000 0.042 0.000 1.089 158 I HN 1.105 nan 8.210 nan 0.000 0.441 159 G N 0.130 108.973 108.800 0.071 0.000 4.886 159 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.305 159 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.305 159 G C -0.064 174.939 174.900 0.171 0.000 1.483 159 G CA 0.430 45.531 45.100 0.002 0.000 1.029 159 G HN 0.399 nan 8.290 nan 0.000 0.746 160 Y N 2.135 122.467 120.300 0.054 0.000 2.399 160 Y HA 0.603 5.152 4.550 -0.001 0.000 0.327 160 Y C -2.061 173.898 175.900 0.099 0.000 1.111 160 Y CA -0.741 57.416 58.100 0.095 0.000 1.047 160 Y CB 2.134 40.650 38.460 0.093 0.000 1.259 160 Y HN 0.464 nan 8.280 nan 0.000 0.434 161 D N 5.507 125.529 120.400 -0.631 0.000 2.620 161 D HA 0.128 4.768 4.640 -0.001 0.000 0.252 161 D C 0.567 176.419 176.300 -0.746 0.000 1.207 161 D CA -0.245 53.479 54.000 -0.461 0.000 0.884 161 D CB 1.495 42.309 40.800 0.024 0.000 1.262 161 D HN 0.848 nan 8.370 nan 0.000 0.552 162 E N 3.696 123.501 120.200 -0.658 0.000 2.401 162 E HA -0.172 4.178 4.350 -0.001 0.000 0.199 162 E C 0.850 177.236 176.600 -0.357 0.000 1.023 162 E CA 0.545 56.702 56.400 -0.405 0.000 0.859 162 E CB 0.009 29.641 29.700 -0.113 0.000 0.780 162 E HN 0.465 nan 8.360 nan 0.000 0.523 163 R N -0.630 119.554 120.500 -0.526 0.000 2.189 163 R HA 0.018 4.358 4.340 -0.001 0.000 0.218 163 R C 1.290 177.042 176.300 -0.913 0.000 1.074 163 R CA 1.340 56.904 56.100 -0.894 0.000 0.991 163 R CB 0.040 29.398 30.300 -1.570 0.000 0.883 163 R HN 0.348 nan 8.270 nan 0.000 0.457 164 W N -0.818 120.379 121.300 -0.172 0.000 2.520 164 W HA 0.319 4.979 4.660 -0.001 0.000 0.272 164 W C 0.990 177.470 176.519 -0.065 0.000 0.984 164 W CA 0.404 57.684 57.345 -0.107 0.000 1.314 164 W CB -0.054 29.349 29.460 -0.095 0.000 0.945 164 W HN 0.215 nan 8.180 nan 0.000 0.596 165 G N 2.176 111.024 108.800 0.080 0.000 2.611 165 G HA2 -0.418 3.541 3.960 -0.001 0.000 0.301 165 G HA3 -0.418 3.541 3.960 -0.001 0.000 0.301 165 G C 0.743 175.772 174.900 0.215 0.000 1.233 165 G CA 2.098 47.310 45.100 0.187 0.000 0.993 165 G HN 0.139 nan 8.290 nan 0.000 0.553 166 T N -1.656 113.020 114.554 0.203 0.000 3.186 166 T HA 0.499 4.849 4.350 -0.001 0.000 0.257 166 T C 1.997 176.764 174.700 0.111 0.000 1.029 166 T CA 1.060 63.255 62.100 0.158 0.000 0.916 166 T CB 0.683 69.642 68.868 0.152 0.000 1.041 166 T HN 1.549 nan 8.240 nan 0.000 0.562 167 G N 1.529 110.404 108.800 0.124 0.000 2.471 167 G HA2 0.090 4.050 3.960 -0.001 0.000 0.219 167 G HA3 0.090 4.050 3.960 -0.001 0.000 0.219 167 G C 0.418 175.361 174.900 0.072 0.000 1.125 167 G CA 0.060 45.219 45.100 0.099 0.000 0.775 167 G HN 0.491 nan 8.290 nan 0.000 0.548 168 K N -0.741 119.696 120.400 0.061 0.000 2.435 168 K HA 0.430 4.749 4.320 -0.001 0.000 0.251 168 K C -0.880 175.713 176.600 -0.011 0.000 0.954 168 K CA -0.941 55.344 56.287 -0.002 0.000 0.820 168 K CB 2.372 34.829 32.500 -0.073 0.000 1.292 168 K HN -0.037 nan 8.250 nan 0.000 0.436 169 R N 2.912 123.396 120.500 -0.027 0.000 2.216 169 R HA 0.334 4.673 4.340 -0.001 0.000 0.332 169 R C -1.080 175.194 176.300 -0.044 0.000 1.056 169 R CA -0.160 55.928 56.100 -0.019 0.000 0.901 169 R CB 0.187 30.477 30.300 -0.017 0.000 1.039 169 R HN 0.489 nan 8.270 nan 0.000 0.456 170 L N 3.904 125.106 121.223 -0.035 0.000 2.381 170 L HA 0.448 4.787 4.340 -0.001 0.000 0.268 170 L C -0.437 176.428 176.870 -0.008 0.000 0.997 170 L CA -0.913 53.885 54.840 -0.072 0.000 0.818 170 L CB 2.424 44.395 42.059 -0.147 0.000 1.310 170 L HN 0.607 nan 8.230 nan 0.000 0.416 171 Q N 1.708 121.508 119.800 -0.001 0.000 2.351 171 Q HA 0.458 4.798 4.340 -0.001 0.000 0.273 171 Q C -1.286 174.741 176.000 0.046 0.000 1.077 171 Q CA -0.855 54.988 55.803 0.068 0.000 0.843 171 Q CB 2.901 31.699 28.738 0.100 0.000 1.367 171 Q HN 0.526 nan 8.270 nan 0.000 0.449 172 Q N -0.120 119.734 119.800 0.091 0.000 2.316 172 Q HA 0.756 5.096 4.340 -0.001 0.000 0.264 172 Q C -1.403 174.627 176.000 0.050 0.000 0.987 172 Q CA -0.978 54.847 55.803 0.037 0.000 0.852 172 Q CB 1.734 30.463 28.738 -0.016 0.000 1.287 172 Q HN 0.546 nan 8.270 nan 0.000 0.448 173 A N 5.069 127.902 122.820 0.021 0.000 2.280 173 A HA 0.426 4.746 4.320 -0.001 0.000 0.320 173 A C -0.301 177.248 177.584 -0.058 0.000 1.366 173 A CA -0.787 51.269 52.037 0.032 0.000 0.938 173 A CB 0.181 19.213 19.000 0.052 0.000 1.157 173 A HN 0.821 nan 8.150 nan 0.000 0.536 174 L N 4.142 125.319 121.223 -0.077 0.000 2.315 174 L HA 0.320 4.660 4.340 -0.001 0.000 0.283 174 L C 0.097 176.883 176.870 -0.139 0.000 1.089 174 L CA -0.573 54.161 54.840 -0.177 0.000 0.833 174 L CB 0.626 42.566 42.059 -0.199 0.000 1.170 174 L HN 0.569 nan 8.230 nan 0.000 0.442 175 V N 1.191 120.875 119.914 -0.383 0.000 2.539 175 V HA 0.551 4.671 4.120 -0.001 0.000 0.292 175 V C -0.685 175.082 176.094 -0.545 0.000 1.045 175 V CA -0.648 61.457 62.300 -0.326 0.000 0.945 175 V CB 1.117 32.681 31.823 -0.433 0.000 0.993 175 V HN 0.496 nan 8.190 nan 0.000 0.464 176 Y N 2.211 122.505 120.300 -0.010 0.000 2.644 176 Y HA 0.685 5.235 4.550 -0.001 0.000 0.338 176 Y C -0.915 175.101 175.900 0.193 0.000 1.119 176 Y CA -0.905 57.219 58.100 0.041 0.000 1.060 176 Y CB 2.261 40.669 38.460 -0.086 0.000 1.294 176 Y HN 0.787 nan 8.280 nan 0.000 0.472 177 Y N 1.274 121.738 120.300 0.273 0.000 2.425 177 Y HA 0.690 5.240 4.550 -0.001 0.000 0.344 177 Y C -1.194 174.846 175.900 0.233 0.000 0.969 177 Y CA -1.327 56.913 58.100 0.234 0.000 1.052 177 Y CB 1.351 39.928 38.460 0.195 0.000 1.215 177 Y HN 0.550 nan 8.280 nan 0.000 0.451 178 R N 3.760 123.932 120.500 -0.546 0.000 2.437 178 R HA 0.346 4.685 4.340 -0.001 0.000 0.310 178 R C 0.484 176.132 176.300 -1.087 0.000 0.955 178 R CA -0.517 55.118 56.100 -0.774 0.000 0.851 178 R CB 1.864 31.793 30.300 -0.620 0.000 1.161 178 R HN 0.829 nan 8.270 nan 0.000 0.446 179 S N 0.979 116.033 115.700 -1.077 0.000 2.402 179 S HA -0.125 4.344 4.470 -0.001 0.000 0.229 179 S C 0.335 174.706 174.600 -0.382 0.000 1.021 179 S CA 1.144 58.999 58.200 -0.576 0.000 0.974 179 S CB -0.065 62.960 63.200 -0.291 0.000 0.800 179 S HN 0.654 nan 8.310 nan 0.000 0.484 180 D N -0.659 119.484 120.400 -0.429 0.000 2.819 180 D HA 0.210 4.850 4.640 -0.001 0.000 0.232 180 D C 0.661 176.794 176.300 -0.278 0.000 1.160 180 D CA -0.551 53.295 54.000 -0.257 0.000 0.858 180 D CB 1.180 41.862 40.800 -0.195 0.000 1.610 180 D HN 0.085 nan 8.370 nan 0.000 0.481 181 E N 1.443 121.548 120.200 -0.158 0.000 2.273 181 E HA -0.237 4.112 4.350 -0.001 0.000 0.198 181 E C 0.157 176.622 176.600 -0.225 0.000 1.002 181 E CA 1.089 57.405 56.400 -0.139 0.000 0.828 181 E CB 0.004 29.690 29.700 -0.024 0.000 0.747 181 E HN 0.379 nan 8.360 nan 0.000 0.491 182 D N 1.120 121.387 120.400 -0.222 0.000 2.340 182 D HA 0.032 4.672 4.640 -0.001 0.000 0.220 182 D C -0.257 175.877 176.300 -0.277 0.000 1.039 182 D CA 0.233 54.085 54.000 -0.247 0.000 0.866 182 D CB -0.119 40.554 40.800 -0.211 0.000 0.913 182 D HN 0.143 nan 8.370 nan 0.000 0.523 183 D N 0.185 120.363 120.400 -0.369 0.000 2.382 183 D HA -0.012 4.627 4.640 -0.001 0.000 0.240 183 D C 0.188 176.247 176.300 -0.402 0.000 1.146 183 D CA 0.293 54.005 54.000 -0.480 0.000 0.897 183 D CB 0.826 41.191 40.800 -0.725 0.000 1.197 183 D HN -0.201 nan 8.370 nan 0.000 0.432 184 S N 0.508 115.997 115.700 -0.351 0.000 2.439 184 S HA 0.023 4.492 4.470 -0.001 0.000 0.282 184 S C 1.215 175.789 174.600 -0.043 0.000 1.170 184 S CA -0.622 57.481 58.200 -0.161 0.000 1.054 184 S CB 0.418 63.574 63.200 -0.073 0.000 0.956 184 S HN 0.375 nan 8.310 nan 0.000 0.490 185 Q N 4.215 123.882 119.800 -0.222 0.000 2.436 185 Q HA -0.119 4.220 4.340 -0.001 0.000 0.209 185 Q C 0.287 176.213 176.000 -0.123 0.000 0.965 185 Q CA 1.353 57.022 55.803 -0.223 0.000 0.910 185 Q CB -0.422 28.013 28.738 -0.506 0.000 0.980 185 Q HN 0.902 nan 8.270 nan 0.000 0.491 186 Y N 1.838 122.142 120.300 0.007 0.000 2.616 186 Y HA -0.033 4.517 4.550 -0.001 0.000 0.296 186 Y C 2.453 178.573 175.900 0.367 0.000 1.154 186 Y CA 1.007 59.153 58.100 0.078 0.000 1.325 186 Y CB 0.228 38.716 38.460 0.048 0.000 1.007 186 Y HN 0.337 nan 8.280 nan 0.000 0.542 187 S N -1.680 114.286 115.700 0.444 0.000 2.562 187 S HA -0.049 4.421 4.470 -0.001 0.000 0.221 187 S C 0.137 174.792 174.600 0.092 0.000 0.975 187 S CA 0.403 58.807 58.200 0.341 0.000 0.918 187 S CB -0.405 62.888 63.200 0.154 0.000 0.772 187 S HN 0.437 nan 8.310 nan 0.000 0.531 188 H N 2.012 121.171 119.070 0.148 0.000 2.439 188 H HA 0.437 4.992 4.556 -0.001 0.000 0.230 188 H C -2.853 172.591 175.328 0.193 0.000 1.420 188 H CA -1.914 54.215 56.048 0.134 0.000 1.305 188 H CB 0.566 30.407 29.762 0.132 0.000 1.667 188 H HN 0.331 nan 8.280 nan 0.000 0.515 189 P HA 0.026 nan 4.420 nan 0.000 0.272 189 P C 0.056 177.182 177.300 -0.290 0.000 1.223 189 P CA -0.028 62.900 63.100 -0.287 0.000 0.784 189 P CB 1.742 33.248 31.700 -0.323 0.000 0.923 190 L N 1.749 122.730 121.223 -0.404 0.000 2.416 190 L HA 0.272 4.611 4.340 -0.001 0.000 0.263 190 L C 1.705 178.349 176.870 -0.378 0.000 1.065 190 L CA -0.471 54.162 54.840 -0.346 0.000 0.798 190 L CB 0.624 42.436 42.059 -0.412 0.000 1.267 190 L HN 0.370 nan 8.230 nan 0.000 0.467 191 D N -0.790 119.507 120.400 -0.173 0.000 2.354 191 D HA -0.006 4.634 4.640 -0.001 0.000 0.209 191 D C 0.057 176.498 176.300 0.236 0.000 1.015 191 D CA 0.175 54.177 54.000 0.004 0.000 0.867 191 D CB 0.009 40.847 40.800 0.064 0.000 0.933 191 D HN 0.239 nan 8.370 nan 0.000 0.520 192 F N -0.810 119.191 119.950 0.084 0.000 2.594 192 F HA 0.645 5.171 4.527 -0.001 0.000 0.335 192 F C -0.690 175.134 175.800 0.040 0.000 1.058 192 F CA -2.044 55.997 58.000 0.067 0.000 0.981 192 F CB 1.392 40.407 39.000 0.024 0.000 1.289 192 F HN -0.134 nan 8.300 nan 0.000 0.490 193 C N 3.602 123.020 119.300 0.197 0.000 2.654 193 C HA 0.594 5.053 4.460 -0.001 0.000 0.315 193 C C -2.845 172.242 174.990 0.162 0.000 1.054 193 C CA -1.996 57.057 59.018 0.059 0.000 1.419 193 C CB 0.078 27.803 27.740 -0.025 0.000 1.889 193 C HN 0.659 nan 8.230 nan 0.000 0.447 194 P HA 0.298 nan 4.420 nan 0.000 0.271 194 P C -0.642 176.710 177.300 0.088 0.000 1.216 194 P CA 0.001 63.193 63.100 0.153 0.000 0.776 194 P CB 0.429 32.220 31.700 0.150 0.000 0.881 195 I N 3.262 123.878 120.570 0.076 0.000 2.354 195 I HA 0.281 4.451 4.170 -0.001 0.000 0.292 195 I C -0.150 175.920 176.117 -0.078 0.000 0.989 195 I CA -0.670 60.614 61.300 -0.027 0.000 1.188 195 I CB 1.319 39.246 38.000 -0.121 0.000 1.342 195 I HN 0.032 nan 8.210 nan 0.000 0.457 196 V N 5.035 124.901 119.914 -0.081 0.000 2.448 196 V HA 0.269 4.388 4.120 -0.001 0.000 0.295 196 V C -0.002 176.032 176.094 -0.100 0.000 1.025 196 V CA -0.807 61.454 62.300 -0.065 0.000 0.859 196 V CB 2.211 34.028 31.823 -0.009 0.000 0.988 196 V HN 0.630 nan 8.190 nan 0.000 0.431 197 D N 3.265 123.601 120.400 -0.107 0.000 2.338 197 D HA 0.095 4.735 4.640 -0.001 0.000 0.255 197 D C 1.207 177.477 176.300 -0.051 0.000 1.237 197 D CA 0.219 54.160 54.000 -0.099 0.000 0.883 197 D CB 1.800 42.541 40.800 -0.097 0.000 1.087 197 D HN 0.610 nan 8.370 nan 0.000 0.485 198 T N 3.487 118.018 114.554 -0.038 0.000 2.746 198 T HA -0.135 4.215 4.350 -0.001 0.000 0.267 198 T C 1.375 176.065 174.700 -0.016 0.000 1.039 198 T CA 0.986 63.078 62.100 -0.013 0.000 1.142 198 T CB 0.220 69.086 68.868 -0.003 0.000 0.866 198 T HN 0.450 nan 8.240 nan 0.000 0.444 199 E N 0.739 120.925 120.200 -0.024 0.000 2.190 199 E HA 0.032 4.382 4.350 -0.001 0.000 0.191 199 E C 2.176 178.762 176.600 -0.022 0.000 0.978 199 E CA 0.532 56.918 56.400 -0.024 0.000 0.839 199 E CB -0.059 29.622 29.700 -0.031 0.000 0.787 199 E HN 0.451 nan 8.360 nan 0.000 0.473 200 E N 0.833 121.018 120.200 -0.025 0.000 2.435 200 E HA -0.004 4.346 4.350 -0.001 0.000 0.195 200 E C -0.117 176.473 176.600 -0.017 0.000 1.029 200 E CA 0.061 56.448 56.400 -0.021 0.000 0.865 200 E CB 0.083 29.768 29.700 -0.025 0.000 0.833 200 E HN 0.162 nan 8.360 nan 0.000 0.510 201 K N 1.158 121.548 120.400 -0.016 0.000 3.257 201 K HA -0.224 4.095 4.320 -0.001 0.000 0.270 201 K C -0.338 176.256 176.600 -0.010 0.000 0.984 201 K CA 0.806 57.087 56.287 -0.009 0.000 0.739 201 K CB -1.484 31.013 32.500 -0.004 0.000 1.351 201 K HN 0.247 nan 8.250 nan 0.000 0.463 202 K N -2.183 118.207 120.400 -0.018 0.000 2.532 202 K HA 0.532 4.852 4.320 -0.001 0.000 0.265 202 K C -0.524 176.063 176.600 -0.023 0.000 0.948 202 K CA -1.248 55.030 56.287 -0.015 0.000 0.842 202 K CB 1.804 34.295 32.500 -0.014 0.000 1.392 202 K HN -0.100 nan 8.250 nan 0.000 0.436 203 V N 3.516 123.423 119.914 -0.011 0.000 2.508 203 V HA 0.075 4.195 4.120 -0.001 0.000 0.281 203 V C 1.195 177.284 176.094 -0.008 0.000 1.041 203 V CA -0.138 62.157 62.300 -0.009 0.000 1.016 203 V CB 0.333 32.160 31.823 0.007 0.000 0.984 203 V HN 0.868 nan 8.190 nan 0.000 0.478 204 I N 1.631 122.188 120.570 -0.022 0.000 4.035 204 I HA 0.524 4.693 4.170 -0.001 0.000 0.321 204 I C 0.161 176.392 176.117 0.190 0.000 1.289 204 I CA 0.545 61.854 61.300 0.014 0.000 1.236 204 I CB 0.476 38.404 38.000 -0.120 0.000 1.076 204 I HN 0.451 nan 8.210 nan 0.000 0.418 205 F N 0.958 120.892 119.950 -0.026 0.000 2.719 205 F HA 0.645 5.172 4.527 -0.001 0.000 0.309 205 F C -1.860 173.985 175.800 0.075 0.000 1.138 205 F CA -1.054 56.996 58.000 0.082 0.000 0.943 205 F CB 1.891 41.036 39.000 0.242 0.000 1.304 205 F HN -0.251 nan 8.300 nan 0.000 0.445 206 I N 3.524 123.903 120.570 -0.318 0.000 2.468 206 I HA 0.264 4.433 4.170 -0.001 0.000 0.285 206 I C -1.317 174.801 176.117 0.001 0.000 1.039 206 I CA -0.820 60.451 61.300 -0.048 0.000 1.074 206 I CB 1.730 39.675 38.000 -0.091 0.000 1.228 206 I HN 0.348 nan 8.210 nan 0.000 0.436 207 D N 7.672 128.258 120.400 0.311 0.000 2.339 207 D HA 0.375 5.015 4.640 -0.001 0.000 0.256 207 D C -0.267 176.178 176.300 0.242 0.000 1.214 207 D CA 0.470 54.689 54.000 0.365 0.000 0.877 207 D CB 1.425 42.451 40.800 0.376 0.000 1.111 207 D HN 0.295 nan 8.370 nan 0.000 0.478 208 I N 4.701 125.379 120.570 0.180 0.000 2.406 208 I HA 0.217 4.386 4.170 -0.001 0.000 0.290 208 I C -1.936 174.266 176.117 0.140 0.000 0.999 208 I CA -1.876 59.509 61.300 0.141 0.000 1.124 208 I CB 2.086 40.103 38.000 0.029 0.000 1.289 208 I HN 0.101 nan 8.210 nan 0.000 0.441 209 P HA 0.235 nan 4.420 nan 0.000 0.274 209 P C -0.109 177.250 177.300 0.098 0.000 1.237 209 P CA -0.372 62.816 63.100 0.146 0.000 0.793 209 P CB 0.907 32.725 31.700 0.196 0.000 0.977 210 N N 0.595 119.344 118.700 0.081 0.000 2.120 210 N HA -0.120 4.619 4.740 -0.001 0.000 0.188 210 N C 0.986 176.530 175.510 0.056 0.000 1.024 210 N CA 1.093 54.175 53.050 0.053 0.000 0.852 210 N CB -0.091 38.422 38.487 0.042 0.000 1.003 210 N HN 0.472 nan 8.380 nan 0.000 0.424 211 R N 1.873 122.419 120.500 0.077 0.000 2.215 211 R HA 0.147 4.487 4.340 -0.001 0.000 0.336 211 R C -0.731 175.617 176.300 0.080 0.000 0.996 211 R CA -0.541 55.601 56.100 0.071 0.000 0.847 211 R CB 0.573 30.920 30.300 0.078 0.000 1.127 211 R HN -0.137 nan 8.270 nan 0.000 0.465 212 R N 3.378 123.912 120.500 0.057 0.000 2.490 212 R HA 0.203 4.543 4.340 -0.001 0.000 0.280 212 R C -0.362 175.961 176.300 0.038 0.000 1.077 212 R CA -0.368 55.766 56.100 0.056 0.000 1.065 212 R CB 0.464 30.785 30.300 0.035 0.000 1.003 212 R HN 0.542 nan 8.270 nan 0.000 0.470 213 R N 1.500 122.018 120.500 0.030 0.000 2.483 213 R HA 0.293 4.633 4.340 -0.001 0.000 0.303 213 R C -0.316 175.974 176.300 -0.016 0.000 0.987 213 R CA -0.470 55.625 56.100 -0.008 0.000 0.881 213 R CB 1.864 32.135 30.300 -0.048 0.000 1.177 213 R HN 0.365 nan 8.270 nan 0.000 0.451 214 K N 0.949 121.338 120.400 -0.017 0.000 2.138 214 K HA 0.206 4.525 4.320 -0.001 0.000 0.251 214 K C 0.071 176.645 176.600 -0.044 0.000 1.015 214 K CA -0.626 55.648 56.287 -0.022 0.000 0.917 214 K CB 1.166 33.650 32.500 -0.025 0.000 1.021 214 K HN 0.203 nan 8.250 nan 0.000 0.485 215 V N 1.982 121.864 119.914 -0.053 0.000 2.720 215 V HA -0.093 4.026 4.120 -0.001 0.000 0.307 215 V C 0.355 176.429 176.094 -0.032 0.000 1.071 215 V CA 0.495 62.758 62.300 -0.062 0.000 1.199 215 V CB 1.183 32.913 31.823 -0.154 0.000 0.900 215 V HN 0.862 nan 8.190 nan 0.000 0.494 216 S N 5.419 121.106 115.700 -0.022 0.000 2.558 216 S HA 0.120 4.590 4.470 -0.001 0.000 0.288 216 S C 0.867 175.532 174.600 0.109 0.000 1.318 216 S CA 0.086 58.277 58.200 -0.015 0.000 1.056 216 S CB 0.402 63.465 63.200 -0.229 0.000 0.853 216 S HN 0.841 nan 8.310 nan 0.000 0.505 217 K N 2.644 123.052 120.400 0.013 0.000 2.374 217 K HA 0.106 4.426 4.320 -0.001 0.000 0.196 217 K C 0.278 176.883 176.600 0.008 0.000 1.023 217 K CA -0.117 56.169 56.287 -0.001 0.000 1.103 217 K CB 0.020 32.459 32.500 -0.101 0.000 0.848 217 K HN 0.680 nan 8.250 nan 0.000 0.528 218 H N 1.932 121.108 119.070 0.176 0.000 2.603 218 H HA 0.124 4.679 4.556 -0.001 0.000 0.370 218 H C 0.238 175.778 175.328 0.354 0.000 1.225 218 H CA 0.219 56.385 56.048 0.196 0.000 1.410 218 H CB 0.707 30.526 29.762 0.095 0.000 1.495 218 H HN -0.111 nan 8.280 nan 0.000 0.602 219 K N 1.085 121.744 120.400 0.432 0.000 2.380 219 K HA 0.004 4.324 4.320 -0.001 0.000 0.267 219 K C -0.123 176.756 176.600 0.466 0.000 0.990 219 K CA -0.003 56.510 56.287 0.377 0.000 0.946 219 K CB 0.206 32.882 32.500 0.293 0.000 0.937 219 K HN 0.458 nan 8.250 nan 0.000 0.491 220 H N 0.070 119.257 119.070 0.195 0.000 2.790 220 H HA 0.109 4.665 4.556 -0.001 0.000 0.358 220 H C -0.176 175.137 175.328 -0.025 0.000 1.103 220 H CA 0.331 56.440 56.048 0.103 0.000 1.426 220 H CB 0.708 30.383 29.762 -0.145 0.000 1.424 220 H HN 0.649 nan 8.280 nan 0.000 0.599 221 A N 4.220 126.944 122.820 -0.161 0.000 2.506 221 A HA 0.221 4.541 4.320 -0.001 0.000 0.320 221 A C -0.069 177.355 177.584 -0.267 0.000 1.424 221 A CA -0.644 51.172 52.037 -0.368 0.000 1.044 221 A CB -0.488 18.016 19.000 -0.827 0.000 1.140 221 A HN 0.656 nan 8.150 nan 0.000 0.538 222 N N 0.790 119.350 118.700 -0.232 0.000 2.483 222 N HA 0.683 5.423 4.740 -0.001 0.000 0.285 222 N C -0.072 175.353 175.510 -0.142 0.000 1.210 222 N CA -0.438 52.360 53.050 -0.420 0.000 0.931 222 N CB 1.273 39.188 38.487 -0.953 0.000 1.220 222 N HN 0.595 nan 8.380 nan 0.000 0.542 223 F N -2.558 117.381 119.950 -0.018 0.000 2.974 223 F HA 0.435 4.962 4.527 -0.001 0.000 0.357 223 F C -0.315 175.527 175.800 0.071 0.000 1.114 223 F CA -0.733 57.269 58.000 0.003 0.000 1.099 223 F CB -0.229 38.692 39.000 -0.132 0.000 1.205 223 F HN 0.205 nan 8.300 nan 0.000 0.535 224 Y N 2.716 123.141 120.300 0.208 0.000 2.357 224 Y HA 0.281 4.830 4.550 -0.001 0.000 0.340 224 Y C -1.104 174.831 175.900 0.059 0.000 1.260 224 Y CA -1.423 56.761 58.100 0.139 0.000 1.425 224 Y CB 0.244 38.689 38.460 -0.025 0.000 1.326 224 Y HN -0.234 nan 8.280 nan 0.000 0.580 225 P HA -0.277 nan 4.420 nan 0.000 0.216 225 P C 1.045 178.355 177.300 0.016 0.000 1.154 225 P CA 2.636 65.778 63.100 0.070 0.000 0.865 225 P CB 0.091 31.825 31.700 0.056 0.000 0.789 226 K N -0.967 119.387 120.400 -0.077 0.000 2.103 226 K HA -0.210 4.110 4.320 -0.001 0.000 0.207 226 K C 1.716 178.242 176.600 -0.124 0.000 1.048 226 K CA 1.746 57.942 56.287 -0.151 0.000 0.930 226 K CB -1.192 31.152 32.500 -0.259 0.000 0.716 226 K HN 0.273 nan 8.250 nan 0.000 0.444 227 H N -0.056 119.033 119.070 0.033 0.000 2.395 227 H HA 0.090 4.646 4.556 -0.001 0.000 0.299 227 H C 2.105 177.456 175.328 0.038 0.000 1.070 227 H CA 1.314 57.374 56.048 0.021 0.000 1.356 227 H CB 0.086 29.849 29.762 0.002 0.000 1.401 227 H HN 0.079 nan 8.280 nan 0.000 0.524 228 M N 0.184 119.882 119.600 0.164 0.000 2.175 228 M HA -0.088 4.391 4.480 -0.001 0.000 0.264 228 M C 2.242 178.589 176.300 0.078 0.000 1.063 228 M CA 1.202 56.571 55.300 0.114 0.000 1.119 228 M CB -0.607 32.051 32.600 0.097 0.000 1.377 228 M HN 0.311 nan 8.290 nan 0.000 0.415 229 I N 0.167 120.772 120.570 0.057 0.000 2.208 229 I HA -0.300 3.869 4.170 -0.001 0.000 0.245 229 I C 2.240 178.385 176.117 0.047 0.000 1.097 229 I CA 1.360 62.684 61.300 0.040 0.000 1.363 229 I CB -0.410 37.602 38.000 0.021 0.000 1.051 229 I HN 0.376 nan 8.210 nan 0.000 0.413 230 E N 0.595 120.829 120.200 0.057 0.000 2.106 230 E HA -0.266 4.084 4.350 -0.001 0.000 0.192 230 E C 2.138 178.783 176.600 0.074 0.000 0.984 230 E CA 1.140 57.578 56.400 0.064 0.000 0.806 230 E CB -0.046 29.700 29.700 0.077 0.000 0.750 230 E HN 0.388 nan 8.360 nan 0.000 0.458 231 K N 0.776 121.229 120.400 0.088 0.000 2.044 231 K HA -0.082 4.237 4.320 -0.001 0.000 0.204 231 K C 1.867 178.513 176.600 0.076 0.000 1.049 231 K CA 1.411 57.753 56.287 0.092 0.000 0.945 231 K CB 0.396 32.960 32.500 0.107 0.000 0.724 231 K HN 0.138 nan 8.250 nan 0.000 0.440 232 V N -4.122 115.832 119.914 0.067 0.000 3.477 232 V HA 0.498 4.617 4.120 -0.001 0.000 0.297 232 V C 0.773 176.894 176.094 0.045 0.000 1.433 232 V CA 0.373 62.706 62.300 0.055 0.000 1.052 232 V CB 0.411 32.266 31.823 0.054 0.000 0.895 232 V HN 0.464 nan 8.190 nan 0.000 0.438 233 G N 0.105 108.932 108.800 0.043 0.000 2.349 233 G HA2 0.208 4.167 3.960 -0.001 0.000 0.213 233 G HA3 0.208 4.167 3.960 -0.001 0.000 0.213 233 G C 0.337 175.255 174.900 0.029 0.000 1.044 233 G CA -0.001 45.120 45.100 0.034 0.000 0.633 233 G HN 2.060 nan 8.290 nan 0.000 0.506 234 A N -0.020 122.818 122.820 0.030 0.000 2.608 234 A HA 0.748 5.068 4.320 -0.001 0.000 0.292 234 A C -0.351 177.249 177.584 0.027 0.000 1.066 234 A CA -0.161 51.891 52.037 0.025 0.000 0.676 234 A CB 0.777 19.789 19.000 0.020 0.000 1.277 234 A HN 0.558 nan 8.150 nan 0.000 0.413 235 M N 1.013 120.627 119.600 0.023 0.000 2.202 235 M HA 0.356 4.836 4.480 -0.001 0.000 0.316 235 M C 0.783 177.093 176.300 0.018 0.000 1.138 235 M CA 0.026 55.339 55.300 0.023 0.000 1.151 235 M CB 0.201 32.813 32.600 0.021 0.000 1.422 235 M HN 0.783 nan 8.290 nan 0.000 0.471 236 R N 0.779 121.289 120.500 0.016 0.000 2.694 236 R HA 0.269 4.608 4.340 -0.001 0.000 0.268 236 R C -2.011 174.295 176.300 0.010 0.000 1.061 236 R CA -1.257 54.851 56.100 0.012 0.000 1.133 236 R CB -0.583 29.723 30.300 0.010 0.000 1.020 236 R HN 0.391 nan 8.270 nan 0.000 0.475 237 P HA -0.051 nan 4.420 nan 0.000 0.268 237 P C -0.662 176.642 177.300 0.007 0.000 1.208 237 P CA -0.124 62.981 63.100 0.008 0.000 0.777 237 P CB 0.450 32.154 31.700 0.007 0.000 0.875 238 E N 1.327 121.531 120.200 0.006 0.000 2.465 238 E HA 0.261 4.611 4.350 -0.001 0.000 0.260 238 E C -0.343 176.260 176.600 0.005 0.000 0.980 238 E CA 0.048 56.452 56.400 0.006 0.000 0.927 238 E CB -0.004 29.700 29.700 0.006 0.000 0.934 238 E HN 0.471 nan 8.360 nan 0.000 0.459 239 A N 5.584 128.406 122.820 0.003 0.000 2.351 239 A HA 0.473 4.793 4.320 -0.001 0.000 0.257 239 A C -2.051 175.535 177.584 0.003 0.000 1.087 239 A CA -1.298 50.741 52.037 0.003 0.000 0.798 239 A CB -0.214 18.787 19.000 0.001 0.000 1.033 239 A HN 0.643 nan 8.150 nan 0.000 0.488 240 P HA 0.229 nan 4.420 nan 0.000 0.266 240 P C -2.256 175.047 177.300 0.004 0.000 1.195 240 P CA -0.523 62.579 63.100 0.004 0.000 0.768 240 P CB -0.258 31.444 31.700 0.003 0.000 0.838 241 P HA 0.261 nan 4.420 nan 0.000 0.272 241 P C -0.689 176.615 177.300 0.007 0.000 1.230 241 P CA 0.110 63.214 63.100 0.007 0.000 0.788 241 P CB 0.788 32.492 31.700 0.008 0.000 0.949 242 I N 2.316 122.891 120.570 0.008 0.000 2.411 242 I HA 0.238 4.407 4.170 -0.001 0.000 0.284 242 I C -0.177 175.948 176.117 0.014 0.000 1.012 242 I CA -0.583 60.722 61.300 0.009 0.000 1.119 242 I CB 1.171 39.175 38.000 0.007 0.000 1.261 242 I HN 0.143 nan 8.210 nan 0.000 0.448 243 N N 5.990 124.699 118.700 0.015 0.000 2.408 243 N HA 0.440 5.179 4.740 -0.001 0.000 0.280 243 N C -0.817 174.708 175.510 0.024 0.000 1.002 243 N CA -0.413 52.648 53.050 0.019 0.000 0.907 243 N CB 2.722 41.219 38.487 0.016 0.000 1.161 243 N HN 0.145 nan 8.380 nan 0.000 0.488 244 V N 1.861 121.793 119.914 0.030 0.000 2.370 244 V HA 0.534 4.654 4.120 -0.001 0.000 0.283 244 V C 0.187 176.305 176.094 0.039 0.000 1.023 244 V CA -0.539 61.785 62.300 0.040 0.000 0.857 244 V CB 1.125 32.982 31.823 0.055 0.000 0.985 244 V HN 0.805 nan 8.190 nan 0.000 0.443 245 T N 2.033 116.609 114.554 0.037 0.000 2.906 245 T HA 0.661 5.010 4.350 -0.001 0.000 0.295 245 T C -0.748 173.973 174.700 0.035 0.000 1.061 245 T CA -0.851 61.268 62.100 0.033 0.000 1.000 245 T CB 2.257 71.139 68.868 0.024 0.000 1.103 245 T HN 0.523 nan 8.240 nan 0.000 0.486 246 Q N 1.526 121.344 119.800 0.030 0.000 3.064 246 Q HA 0.247 4.587 4.340 -0.001 0.000 0.258 246 Q C -1.920 174.087 176.000 0.011 0.000 0.972 246 Q CA -1.905 53.913 55.803 0.024 0.000 0.761 246 Q CB 1.656 30.411 28.738 0.028 0.000 1.281 246 Q HN 0.560 nan 8.270 nan 0.000 0.455 247 P HA -0.154 nan 4.420 nan 0.000 0.222 247 P C 0.160 177.460 177.300 -0.000 0.000 1.147 247 P CA 1.133 64.237 63.100 0.006 0.000 0.790 247 P CB 0.470 32.175 31.700 0.008 0.000 0.780 248 E N -0.481 119.718 120.200 -0.002 0.000 2.501 248 E HA 0.367 4.717 4.350 -0.001 0.000 0.200 248 E C 0.855 177.442 176.600 -0.021 0.000 1.016 248 E CA -0.001 56.394 56.400 -0.008 0.000 0.921 248 E CB 0.234 29.932 29.700 -0.004 0.000 1.034 248 E HN 0.195 nan 8.360 nan 0.000 0.468 249 G N 0.808 109.592 108.800 -0.027 0.000 2.627 249 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.214 249 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.214 249 G C -0.152 174.701 174.900 -0.078 0.000 1.331 249 G CA -0.517 44.548 45.100 -0.058 0.000 0.891 249 G HN 0.411 nan 8.290 nan 0.000 0.539 250 V N -2.544 117.267 119.914 -0.171 0.000 2.966 250 V HA 0.867 4.987 4.120 -0.001 0.000 0.317 250 V C 1.531 177.510 176.094 -0.192 0.000 1.070 250 V CA 0.892 63.049 62.300 -0.239 0.000 1.008 250 V CB 1.446 32.890 31.823 -0.632 0.000 1.070 250 V HN 2.345 nan 8.190 nan 0.000 0.457 251 S N 1.507 117.190 115.700 -0.028 0.000 2.501 251 S HA 0.171 4.641 4.470 -0.001 0.000 0.220 251 S C 0.587 175.280 174.600 0.155 0.000 0.997 251 S CA 0.077 58.325 58.200 0.080 0.000 0.919 251 S CB -0.722 62.583 63.200 0.175 0.000 0.778 251 S HN 1.011 nan 8.310 nan 0.000 0.523 252 F N 1.276 121.365 119.950 0.231 0.000 2.370 252 F HA 0.724 5.251 4.527 -0.001 0.000 0.324 252 F C -0.078 175.751 175.800 0.049 0.000 1.116 252 F CA -1.165 56.952 58.000 0.195 0.000 1.123 252 F CB 0.728 39.833 39.000 0.176 0.000 1.238 252 F HN -0.093 nan 8.300 nan 0.000 0.536 253 K N 3.945 124.487 120.400 0.237 0.000 2.463 253 K HA 0.452 4.771 4.320 -0.001 0.000 0.255 253 K C -1.603 175.043 176.600 0.076 0.000 0.942 253 K CA -0.683 55.656 56.287 0.087 0.000 0.814 253 K CB 1.364 33.883 32.500 0.031 0.000 1.122 253 K HN 0.897 nan 8.250 nan 0.000 0.425 254 M N 2.646 122.272 119.600 0.043 0.000 2.364 254 M HA 0.264 4.743 4.480 -0.001 0.000 0.334 254 M C -0.801 175.483 176.300 -0.026 0.000 1.107 254 M CA -0.610 54.654 55.300 -0.061 0.000 0.988 254 M CB 2.264 34.737 32.600 -0.211 0.000 1.673 254 M HN 0.511 nan 8.290 nan 0.000 0.441 255 T N 2.663 117.196 114.554 -0.035 0.000 2.977 255 T HA 0.510 4.859 4.350 -0.001 0.000 0.346 255 T C 0.658 175.369 174.700 0.019 0.000 1.140 255 T CA 0.224 62.331 62.100 0.013 0.000 1.040 255 T CB 0.949 69.835 68.868 0.030 0.000 1.046 255 T HN 1.064 nan 8.240 nan 0.000 0.494 256 G N 4.043 112.863 108.800 0.035 0.000 2.602 256 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.310 256 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.310 256 G C 0.795 175.672 174.900 -0.039 0.000 1.183 256 G CA 0.336 45.459 45.100 0.039 0.000 0.979 256 G HN 0.621 nan 8.290 nan 0.000 0.545 257 N N 0.450 119.092 118.700 -0.097 0.000 2.270 257 N HA 0.233 4.972 4.740 -0.001 0.000 0.198 257 N C 0.112 175.367 175.510 -0.424 0.000 1.117 257 N CA 0.312 53.183 53.050 -0.298 0.000 0.845 257 N CB 1.045 39.266 38.487 -0.444 0.000 0.980 257 N HN 0.286 nan 8.380 nan 0.000 0.486 258 V N 2.406 122.173 119.914 -0.245 0.000 2.432 258 V HA 0.218 4.338 4.120 -0.001 0.000 0.275 258 V C 0.179 176.087 176.094 -0.311 0.000 1.043 258 V CA -0.405 61.756 62.300 -0.231 0.000 0.925 258 V CB 1.295 33.101 31.823 -0.029 0.000 0.985 258 V HN 0.130 nan 8.190 nan 0.000 0.466 259 M N 5.277 124.547 119.600 -0.550 0.000 2.300 259 M HA 0.531 5.010 4.480 -0.001 0.000 0.348 259 M C -0.591 175.419 176.300 -0.482 0.000 1.151 259 M CA 0.122 55.030 55.300 -0.652 0.000 1.046 259 M CB 1.326 33.161 32.600 -1.275 0.000 1.647 259 M HN 0.655 nan 8.290 nan 0.000 0.451 260 E N 3.749 123.834 120.200 -0.193 0.000 2.218 260 E HA 0.495 4.845 4.350 -0.001 0.000 0.263 260 E C -2.202 174.493 176.600 0.159 0.000 0.879 260 E CA -0.301 56.079 56.400 -0.033 0.000 0.762 260 E CB 1.752 31.443 29.700 -0.016 0.000 1.166 260 E HN 0.762 nan 8.360 nan 0.000 0.415 261 W N 2.608 123.908 121.300 0.001 0.000 3.615 261 W HA 0.204 4.863 4.660 -0.001 0.000 0.319 261 W C -0.297 176.320 176.519 0.164 0.000 1.172 261 W CA -0.451 56.952 57.345 0.096 0.000 1.240 261 W CB 1.515 31.032 29.460 0.094 0.000 1.313 261 W HN 0.458 nan 8.180 nan 0.000 0.487 262 S N 5.106 120.369 115.700 -0.729 0.000 3.491 262 S HA -0.330 4.140 4.470 -0.001 0.000 0.371 262 S C 0.846 175.156 174.600 -0.483 0.000 0.980 262 S CA 1.973 59.703 58.200 -0.784 0.000 1.204 262 S CB -1.354 60.949 63.200 -1.495 0.000 0.915 262 S HN 1.032 nan 8.310 nan 0.000 0.482 263 N N -2.424 116.013 118.700 -0.439 0.000 2.967 263 N HA -0.185 4.554 4.740 -0.001 0.000 0.218 263 N C -0.097 175.074 175.510 -0.564 0.000 0.870 263 N CA 1.809 54.458 53.050 -0.668 0.000 1.030 263 N CB -1.614 36.116 38.487 -1.262 0.000 1.027 263 N HN 0.585 nan 8.380 nan 0.000 0.603 264 F N 1.719 121.596 119.950 -0.122 0.000 2.429 264 F HA 0.351 4.878 4.527 -0.001 0.000 0.348 264 F C 1.057 176.920 175.800 0.106 0.000 1.109 264 F CA 0.362 58.460 58.000 0.163 0.000 1.232 264 F CB 0.768 40.033 39.000 0.442 0.000 1.157 264 F HN -0.157 nan 8.300 nan 0.000 0.564 265 K N 4.181 124.799 120.400 0.364 0.000 2.427 265 K HA 0.660 4.979 4.320 -0.001 0.000 0.252 265 K C -1.665 175.124 176.600 0.315 0.000 0.931 265 K CA -0.547 55.841 56.287 0.169 0.000 0.793 265 K CB 1.602 34.161 32.500 0.098 0.000 1.211 265 K HN 0.531 nan 8.250 nan 0.000 0.426 266 F N -0.517 119.446 119.950 0.020 0.000 2.741 266 F HA 0.361 4.887 4.527 -0.001 0.000 0.311 266 F C -1.501 174.286 175.800 -0.021 0.000 1.149 266 F CA -1.196 56.815 58.000 0.018 0.000 0.930 266 F CB 0.911 39.895 39.000 -0.025 0.000 1.312 266 F HN 0.430 nan 8.300 nan 0.000 0.450 267 H N 2.459 121.591 119.070 0.103 0.000 2.488 267 H HA 0.556 5.112 4.556 -0.001 0.000 0.322 267 H C -1.136 174.194 175.328 0.003 0.000 1.078 267 H CA -0.561 55.434 56.048 -0.088 0.000 1.260 267 H CB 1.444 31.072 29.762 -0.223 0.000 1.425 267 H HN 0.726 nan 8.280 nan 0.000 0.471 268 I N 5.366 125.616 120.570 -0.533 0.000 2.297 268 I HA 0.243 4.412 4.170 -0.001 0.000 0.291 268 I C 0.975 176.901 176.117 -0.319 0.000 1.033 268 I CA -0.256 60.885 61.300 -0.265 0.000 1.253 268 I CB 1.160 39.050 38.000 -0.183 0.000 1.396 268 I HN 0.538 nan 8.210 nan 0.000 0.476 269 G N 5.263 114.056 108.800 -0.011 0.000 2.667 269 G HA2 0.747 4.706 3.960 -0.001 0.000 0.310 269 G HA3 0.747 4.706 3.960 -0.001 0.000 0.310 269 G C -1.641 173.379 174.900 0.201 0.000 1.259 269 G CA -0.389 44.800 45.100 0.148 0.000 1.019 269 G HN 0.375 nan 8.290 nan 0.000 0.496 270 F N 0.628 120.601 119.950 0.038 0.000 2.635 270 F HA 0.488 5.014 4.527 -0.001 0.000 0.314 270 F C -1.030 174.833 175.800 0.105 0.000 1.119 270 F CA -0.888 57.141 58.000 0.049 0.000 1.000 270 F CB 2.169 41.195 39.000 0.043 0.000 1.278 270 F HN 0.803 nan 8.300 nan 0.000 0.446 271 N N 1.964 120.495 118.700 -0.281 0.000 2.774 271 N HA 0.242 4.981 4.740 -0.001 0.000 0.264 271 N C 0.095 175.460 175.510 -0.242 0.000 1.415 271 N CA -0.510 52.523 53.050 -0.028 0.000 0.815 271 N CB 0.317 38.837 38.487 0.055 0.000 1.514 271 N HN 0.515 nan 8.380 nan 0.000 0.523 272 Y N -1.434 118.709 120.300 -0.262 0.000 2.384 272 Y HA 0.080 4.630 4.550 -0.001 0.000 0.289 272 Y C 2.034 177.465 175.900 -0.781 0.000 1.152 272 Y CA 1.291 58.881 58.100 -0.850 0.000 1.258 272 Y CB -0.307 37.308 38.460 -1.409 0.000 0.979 272 Y HN 0.659 nan 8.280 nan 0.000 0.549 273 R N 0.244 119.955 120.500 -1.315 0.000 2.098 273 R HA 0.118 4.458 4.340 -0.001 0.000 0.203 273 R C 1.874 177.742 176.300 -0.720 0.000 1.166 273 R CA 0.810 56.174 56.100 -1.227 0.000 1.090 273 R CB 0.067 29.353 30.300 -1.689 0.000 0.992 273 R HN 0.348 nan 8.270 nan 0.000 0.477 274 E N -0.024 119.847 120.200 -0.547 0.000 2.371 274 E HA 0.128 4.477 4.350 -0.001 0.000 0.194 274 E C 0.844 177.229 176.600 -0.357 0.000 1.012 274 E CA 0.435 56.642 56.400 -0.323 0.000 0.860 274 E CB 0.406 30.008 29.700 -0.164 0.000 0.811 274 E HN 0.560 nan 8.360 nan 0.000 0.502 275 G N 1.912 110.336 108.800 -0.627 0.000 2.536 275 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.280 275 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.280 275 G C 0.123 174.593 174.900 -0.717 0.000 1.152 275 G CA -0.109 44.436 45.100 -0.926 0.000 0.970 275 G HN 0.200 nan 8.290 nan 0.000 0.549 276 I N 1.174 121.683 120.570 -0.101 0.000 2.683 276 I HA 0.339 4.508 4.170 -0.001 0.000 0.286 276 I C 0.322 176.321 176.117 -0.197 0.000 1.175 276 I CA 0.090 61.419 61.300 0.049 0.000 1.429 276 I CB 0.836 38.919 38.000 0.139 0.000 1.371 276 I HN 0.334 nan 8.210 nan 0.000 0.569 277 V N 7.936 127.739 119.914 -0.185 0.000 2.483 277 V HA 0.376 4.495 4.120 -0.001 0.000 0.297 277 V C -0.122 175.832 176.094 -0.234 0.000 1.027 277 V CA -0.579 61.571 62.300 -0.251 0.000 0.855 277 V CB 1.694 33.429 31.823 -0.148 0.000 0.995 277 V HN 0.445 nan 8.190 nan 0.000 0.424 278 L N 4.048 125.049 121.223 -0.370 0.000 2.282 278 L HA 0.667 5.006 4.340 -0.001 0.000 0.288 278 L C 0.164 176.949 176.870 -0.141 0.000 1.033 278 L CA 0.108 54.813 54.840 -0.225 0.000 0.807 278 L CB 1.679 43.513 42.059 -0.374 0.000 1.209 278 L HN 0.616 nan 8.230 nan 0.000 0.423 279 S N 0.857 116.553 115.700 -0.006 0.000 2.599 279 S HA 0.323 4.793 4.470 -0.001 0.000 0.294 279 S C -0.463 174.168 174.600 0.052 0.000 1.094 279 S CA -0.512 57.630 58.200 -0.096 0.000 0.931 279 S CB 1.779 64.844 63.200 -0.225 0.000 1.093 279 S HN 0.753 nan 8.310 nan 0.000 0.488 280 D N 0.977 121.377 120.400 0.000 0.000 2.705 280 D HA -0.143 4.497 4.640 -0.001 0.000 0.240 280 D C -0.698 175.758 176.300 0.260 0.000 1.137 280 D CA 0.369 54.492 54.000 0.205 0.000 0.677 280 D CB -1.222 39.776 40.800 0.330 0.000 1.049 280 D HN 0.229 nan 8.370 nan 0.000 0.427 281 V N 1.195 121.250 119.914 0.235 0.000 2.432 281 V HA 0.544 4.664 4.120 -0.001 0.000 0.271 281 V C 0.933 177.168 176.094 0.235 0.000 1.046 281 V CA 0.343 62.817 62.300 0.289 0.000 0.945 281 V CB 1.397 33.366 31.823 0.243 0.000 0.992 281 V HN 0.474 nan 8.190 nan 0.000 0.471 282 S N 4.547 120.431 115.700 0.306 0.000 2.632 282 S HA 0.771 5.240 4.470 -0.001 0.000 0.289 282 S C -1.291 173.498 174.600 0.315 0.000 1.115 282 S CA -0.803 57.547 58.200 0.250 0.000 0.889 282 S CB 2.007 65.320 63.200 0.189 0.000 1.116 282 S HN 0.580 nan 8.310 nan 0.000 0.486 283 Y N 1.549 121.920 120.300 0.118 0.000 2.361 283 Y HA 0.500 5.049 4.550 -0.001 0.000 0.337 283 Y C -0.483 175.455 175.900 0.062 0.000 0.965 283 Y CA -0.732 57.381 58.100 0.022 0.000 1.091 283 Y CB 1.553 40.015 38.460 0.003 0.000 1.182 283 Y HN 0.842 nan 8.280 nan 0.000 0.450 284 N N 4.868 123.366 118.700 -0.336 0.000 2.448 284 N HA 0.009 4.749 4.740 -0.001 0.000 0.250 284 N C -1.150 174.284 175.510 -0.126 0.000 1.136 284 N CA 0.108 53.048 53.050 -0.182 0.000 0.953 284 N CB 0.164 38.512 38.487 -0.231 0.000 1.251 284 N HN 0.659 nan 8.380 nan 0.000 0.502 285 D N 2.941 123.468 120.400 0.213 0.000 2.517 285 D HA 0.048 4.688 4.640 -0.001 0.000 0.220 285 D C -0.211 176.202 176.300 0.188 0.000 1.158 285 D CA 0.038 54.244 54.000 0.344 0.000 0.992 285 D CB -0.561 40.532 40.800 0.488 0.000 1.058 285 D HN 0.446 nan 8.370 nan 0.000 0.516 286 H N 2.156 121.275 119.070 0.082 0.000 2.626 286 H HA -0.213 4.342 4.556 -0.001 0.000 0.317 286 H C 1.337 176.676 175.328 0.017 0.000 1.140 286 H CA 1.242 57.308 56.048 0.030 0.000 1.134 286 H CB -1.184 28.598 29.762 0.033 0.000 1.486 286 H HN 0.733 nan 8.280 nan 0.000 0.417 287 G N -0.137 108.697 108.800 0.056 0.000 2.254 287 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.225 287 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.225 287 G C 0.229 175.149 174.900 0.034 0.000 1.003 287 G CA 0.014 45.136 45.100 0.036 0.000 0.622 287 G HN 0.448 nan 8.290 nan 0.000 0.507 288 N N 1.528 120.263 118.700 0.059 0.000 2.439 288 N HA 0.374 5.113 4.740 -0.001 0.000 0.243 288 N C 0.019 175.570 175.510 0.068 0.000 1.088 288 N CA 0.137 53.218 53.050 0.051 0.000 0.940 288 N CB 1.827 40.346 38.487 0.054 0.000 1.180 288 N HN 0.164 nan 8.380 nan 0.000 0.505 289 V N 4.045 123.987 119.914 0.046 0.000 2.387 289 V HA 0.148 4.267 4.120 -0.001 0.000 0.260 289 V C 0.748 176.894 176.094 0.087 0.000 1.054 289 V CA -0.250 62.087 62.300 0.062 0.000 0.967 289 V CB -0.289 31.555 31.823 0.035 0.000 1.036 289 V HN 0.376 nan 8.190 nan 0.000 0.481 290 R N 5.994 126.585 120.500 0.151 0.000 2.295 290 R HA 0.433 4.772 4.340 -0.001 0.000 0.324 290 R C -2.715 173.707 176.300 0.204 0.000 0.968 290 R CA -1.841 54.358 56.100 0.164 0.000 0.837 290 R CB 1.563 31.975 30.300 0.188 0.000 1.133 290 R HN 0.402 nan 8.270 nan 0.000 0.450 291 P HA 0.080 nan 4.420 nan 0.000 0.269 291 P C -0.067 177.270 177.300 0.063 0.000 1.215 291 P CA 0.149 63.317 63.100 0.113 0.000 0.780 291 P CB 0.844 32.600 31.700 0.093 0.000 0.898 292 I N -0.488 120.019 120.570 -0.105 0.000 3.746 292 I HA 0.208 4.378 4.170 -0.001 0.000 0.262 292 I C -0.096 175.678 176.117 -0.573 0.000 1.153 292 I CA 0.449 61.429 61.300 -0.534 0.000 1.395 292 I CB 0.251 37.678 38.000 -0.956 0.000 1.589 292 I HN 0.114 nan 8.210 nan 0.000 0.441 293 F N -0.392 119.517 119.950 -0.069 0.000 2.556 293 F HA 0.338 4.865 4.527 -0.001 0.000 0.314 293 F C 0.790 176.602 175.800 0.021 0.000 1.106 293 F CA -1.130 56.832 58.000 -0.062 0.000 0.911 293 F CB 0.951 39.870 39.000 -0.135 0.000 1.190 293 F HN -0.087 nan 8.300 nan 0.000 0.448 294 H N 1.426 120.578 119.070 0.135 0.000 2.403 294 H HA 0.244 4.800 4.556 -0.001 0.000 0.298 294 H C 0.251 175.585 175.328 0.010 0.000 1.059 294 H CA 1.549 57.629 56.048 0.053 0.000 1.363 294 H CB 0.444 30.191 29.762 -0.026 0.000 1.410 294 H HN 0.535 nan 8.280 nan 0.000 0.528 295 R N -0.067 120.372 120.500 -0.101 0.000 2.579 295 R HA 0.380 4.719 4.340 -0.001 0.000 0.260 295 R C -2.086 174.069 176.300 -0.242 0.000 1.103 295 R CA -0.616 55.348 56.100 -0.227 0.000 0.942 295 R CB 1.305 31.460 30.300 -0.243 0.000 1.251 295 R HN 0.254 nan 8.270 nan 0.000 0.450 296 I N 2.650 123.030 120.570 -0.316 0.000 2.656 296 I HA 0.607 4.777 4.170 -0.001 0.000 0.292 296 I C -1.446 174.397 176.117 -0.456 0.000 1.144 296 I CA -0.131 60.928 61.300 -0.402 0.000 1.038 296 I CB 2.081 39.781 38.000 -0.501 0.000 1.244 296 I HN 0.899 nan 8.210 nan 0.000 0.420 297 S N 6.289 121.829 115.700 -0.267 0.000 2.636 297 S HA 0.539 5.008 4.470 -0.001 0.000 0.266 297 S C -1.541 173.158 174.600 0.165 0.000 1.147 297 S CA -1.048 57.066 58.200 -0.143 0.000 0.815 297 S CB 1.143 64.245 63.200 -0.164 0.000 1.119 297 S HN 0.587 nan 8.310 nan 0.000 0.470 298 L N 2.595 123.988 121.223 0.283 0.000 2.276 298 L HA 0.491 4.831 4.340 -0.001 0.000 0.286 298 L C 1.277 178.198 176.870 0.085 0.000 1.061 298 L CA -0.129 54.840 54.840 0.215 0.000 0.807 298 L CB 1.677 43.892 42.059 0.259 0.000 1.177 298 L HN 1.045 nan 8.230 nan 0.000 0.429 299 S N 0.548 116.280 115.700 0.052 0.000 2.506 299 S HA 0.226 4.696 4.470 -0.001 0.000 0.219 299 S C 0.284 174.881 174.600 -0.005 0.000 1.031 299 S CA -0.233 58.022 58.200 0.091 0.000 0.911 299 S CB 0.594 63.904 63.200 0.183 0.000 0.812 299 S HN 0.638 nan 8.310 nan 0.000 0.497 300 E N -0.522 119.563 120.200 -0.192 0.000 2.409 300 E HA 0.672 5.021 4.350 -0.001 0.000 0.280 300 E C -1.785 174.647 176.600 -0.280 0.000 1.079 300 E CA -0.416 55.819 56.400 -0.276 0.000 0.840 300 E CB 1.364 30.799 29.700 -0.441 0.000 1.309 300 E HN 0.337 nan 8.360 nan 0.000 0.447 301 M N 1.516 121.068 119.600 -0.079 0.000 2.618 301 M HA 0.641 5.121 4.480 -0.001 0.000 0.281 301 M C -1.159 175.282 176.300 0.234 0.000 1.267 301 M CA -0.920 54.370 55.300 -0.018 0.000 0.845 301 M CB 2.522 34.976 32.600 -0.242 0.000 1.732 301 M HN 0.577 nan 8.290 nan 0.000 0.461 302 I N 0.597 121.266 120.570 0.165 0.000 2.752 302 I HA 0.514 4.684 4.170 -0.001 0.000 0.295 302 I C -1.593 174.509 176.117 -0.025 0.000 1.219 302 I CA -0.712 60.642 61.300 0.089 0.000 1.030 302 I CB 2.145 40.176 38.000 0.052 0.000 1.259 302 I HN 0.429 nan 8.210 nan 0.000 0.423 303 V N 8.227 128.162 119.914 0.035 0.000 2.260 303 V HA 0.338 4.457 4.120 -0.001 0.000 0.263 303 V C -2.341 173.809 176.094 0.093 0.000 1.036 303 V CA -1.218 61.079 62.300 -0.004 0.000 0.874 303 V CB 0.631 32.485 31.823 0.052 0.000 1.116 303 V HN 0.517 nan 8.190 nan 0.000 0.454 304 P HA 0.272 nan 4.420 nan 0.000 0.282 304 P C -0.818 176.494 177.300 0.019 0.000 1.262 304 P CA -0.141 63.016 63.100 0.095 0.000 0.773 304 P CB 0.793 32.477 31.700 -0.027 0.000 0.879 305 Y N 1.077 121.426 120.300 0.082 0.000 2.300 305 Y HA 0.424 4.973 4.550 -0.001 0.000 0.328 305 Y C 1.996 177.886 175.900 -0.018 0.000 1.270 305 Y CA 0.253 58.393 58.100 0.067 0.000 1.352 305 Y CB 0.909 39.410 38.460 0.068 0.000 1.286 305 Y HN 0.471 nan 8.280 nan 0.000 0.536 306 G N 0.173 109.023 108.800 0.083 0.000 3.575 306 G HA2 0.026 3.986 3.960 -0.001 0.000 0.273 306 G HA3 0.026 3.986 3.960 -0.001 0.000 0.273 306 G C -0.238 174.586 174.900 -0.127 0.000 1.053 306 G CA -0.160 44.936 45.100 -0.006 0.000 0.803 306 G HN 0.431 nan 8.290 nan 0.000 0.528 307 S N 1.379 116.941 115.700 -0.231 0.000 2.475 307 S HA 0.462 4.932 4.470 -0.001 0.000 0.281 307 S C -0.936 173.372 174.600 -0.488 0.000 1.198 307 S CA -1.382 56.521 58.200 -0.495 0.000 1.063 307 S CB 1.829 64.585 63.200 -0.740 0.000 0.972 307 S HN 0.067 nan 8.310 nan 0.000 0.486 308 P HA 0.085 nan 4.420 nan 0.000 0.241 308 P C -0.326 176.835 177.300 -0.231 0.000 1.191 308 P CA 0.234 63.066 63.100 -0.446 0.000 0.771 308 P CB 0.068 31.438 31.700 -0.552 0.000 0.929 309 E N 0.089 120.187 120.200 -0.170 0.000 2.338 309 E HA 0.154 4.503 4.350 -0.001 0.000 0.272 309 E C -0.411 176.109 176.600 -0.133 0.000 1.029 309 E CA -0.791 55.584 56.400 -0.042 0.000 0.872 309 E CB 0.455 30.201 29.700 0.076 0.000 1.015 309 E HN 0.048 nan 8.360 nan 0.000 0.417 310 F N 4.852 124.665 119.950 -0.228 0.000 2.518 310 F HA 0.103 4.630 4.527 -0.001 0.000 0.359 310 F C -1.399 174.100 175.800 -0.502 0.000 1.118 310 F CA -1.680 56.151 58.000 -0.281 0.000 1.287 310 F CB 0.860 39.764 39.000 -0.160 0.000 1.132 310 F HN 0.320 nan 8.300 nan 0.000 0.587 311 P HA 0.077 nan 4.420 nan 0.000 0.254 311 P C 0.213 177.038 177.300 -0.792 0.000 1.620 311 P CA 0.245 62.508 63.100 -1.395 0.000 1.050 311 P CB -0.139 30.900 31.700 -1.102 0.000 1.539 312 H N 0.862 119.666 119.070 -0.445 0.000 2.545 312 H HA -0.077 4.479 4.556 -0.001 0.000 0.282 312 H C 2.103 177.290 175.328 -0.235 0.000 1.020 312 H CA 0.965 56.799 56.048 -0.356 0.000 1.243 312 H CB -0.243 29.294 29.762 -0.375 0.000 1.377 312 H HN 0.407 nan 8.280 nan 0.000 0.581 313 Q N 1.750 121.463 119.800 -0.144 0.000 2.291 313 Q HA -0.137 4.203 4.340 -0.001 0.000 0.206 313 Q C 1.392 177.457 176.000 0.108 0.000 0.976 313 Q CA 0.938 56.718 55.803 -0.039 0.000 0.875 313 Q CB -0.310 28.388 28.738 -0.067 0.000 0.927 313 Q HN 0.401 nan 8.270 nan 0.000 0.450 314 R N 0.815 121.304 120.500 -0.020 0.000 2.313 314 R HA 0.152 4.492 4.340 -0.001 0.000 0.199 314 R C 0.169 176.470 176.300 0.003 0.000 0.958 314 R CA 0.139 56.252 56.100 0.022 0.000 1.047 314 R CB 0.228 30.463 30.300 -0.108 0.000 0.955 314 R HN 0.149 nan 8.270 nan 0.000 0.481 315 K N 2.106 122.546 120.400 0.066 0.000 2.244 315 K HA 0.078 4.397 4.320 -0.001 0.000 0.263 315 K C -0.370 176.493 176.600 0.437 0.000 1.103 315 K CA -0.067 56.300 56.287 0.133 0.000 0.966 315 K CB 0.423 32.761 32.500 -0.271 0.000 1.429 315 K HN 0.303 nan 8.250 nan 0.000 0.434 316 H N 0.255 119.542 119.070 0.361 0.000 3.080 316 H HA 0.203 4.758 4.556 -0.001 0.000 0.211 316 H C -0.763 174.698 175.328 0.221 0.000 1.359 316 H CA -0.716 55.486 56.048 0.257 0.000 1.322 316 H CB -0.508 29.325 29.762 0.119 0.000 2.164 316 H HN 0.360 nan 8.280 nan 0.000 0.526 317 A N 2.001 124.957 122.820 0.226 0.000 2.546 317 A HA 0.305 4.624 4.320 -0.001 0.000 0.243 317 A C 0.200 177.841 177.584 0.095 0.000 1.063 317 A CA -0.227 51.870 52.037 0.100 0.000 0.757 317 A CB 0.116 19.107 19.000 -0.015 0.000 0.991 317 A HN 0.495 nan 8.150 nan 0.000 0.503 318 L N 3.501 124.757 121.223 0.054 0.000 2.407 318 L HA 0.215 4.554 4.340 -0.001 0.000 0.261 318 L C 0.658 177.521 176.870 -0.011 0.000 1.108 318 L CA -0.036 54.840 54.840 0.060 0.000 0.995 318 L CB 0.666 42.785 42.059 0.101 0.000 1.349 318 L HN 0.732 nan 8.230 nan 0.000 0.423 319 D N 1.402 121.823 120.400 0.034 0.000 2.144 319 D HA -0.172 4.467 4.640 -0.001 0.000 0.199 319 D C 2.048 178.323 176.300 -0.041 0.000 0.984 319 D CA 1.550 55.627 54.000 0.127 0.000 0.834 319 D CB 0.362 41.260 40.800 0.162 0.000 0.955 319 D HN 0.489 nan 8.370 nan 0.000 0.465 320 I N 0.876 121.355 120.570 -0.152 0.000 2.142 320 I HA -0.169 4.000 4.170 -0.001 0.000 0.240 320 I C 2.526 178.452 176.117 -0.317 0.000 1.078 320 I CA 1.467 62.597 61.300 -0.282 0.000 1.343 320 I CB -0.319 37.529 38.000 -0.252 0.000 1.046 320 I HN 0.008 nan 8.210 nan 0.000 0.405 321 G N -0.388 108.261 108.800 -0.252 0.000 2.511 321 G HA2 -0.104 3.855 3.960 -0.001 0.000 0.217 321 G HA3 -0.104 3.855 3.960 -0.001 0.000 0.217 321 G C 1.436 176.200 174.900 -0.227 0.000 1.133 321 G CA 0.216 45.156 45.100 -0.267 0.000 0.792 321 G HN 0.408 nan 8.290 nan 0.000 0.539 322 E N -1.371 118.648 120.200 -0.301 0.000 2.389 322 E HA 0.132 4.481 4.350 -0.001 0.000 0.199 322 E C 0.964 177.121 176.600 -0.738 0.000 0.978 322 E CA 0.295 56.380 56.400 -0.524 0.000 0.912 322 E CB 0.329 29.606 29.700 -0.706 0.000 0.907 322 E HN 0.596 nan 8.360 nan 0.000 0.494 323 Y N -0.419 119.853 120.300 -0.047 0.000 2.723 323 Y HA 0.351 4.900 4.550 -0.001 0.000 0.272 323 Y C 0.808 176.705 175.900 -0.005 0.000 1.142 323 Y CA 0.201 58.298 58.100 -0.006 0.000 1.217 323 Y CB 1.085 39.528 38.460 -0.029 0.000 1.391 323 Y HN -0.040 nan 8.280 nan 0.000 0.479 324 G N 0.762 109.524 108.800 -0.064 0.000 3.338 324 G HA2 0.148 4.107 3.960 -0.001 0.000 0.686 324 G HA3 0.148 4.107 3.960 -0.001 0.000 0.686 324 G C 0.562 175.203 174.900 -0.432 0.000 1.053 324 G CA -0.334 44.572 45.100 -0.322 0.000 0.852 324 G HN 0.634 nan 8.290 nan 0.000 0.545 325 A N 1.214 123.623 122.820 -0.685 0.000 2.125 325 A HA 0.329 4.648 4.320 -0.001 0.000 0.219 325 A C 2.545 179.901 177.584 -0.380 0.000 1.156 325 A CA 2.483 53.964 52.037 -0.927 0.000 0.671 325 A CB -0.318 18.168 19.000 -0.857 0.000 0.794 325 A HN 2.146 nan 8.150 nan 0.000 0.459 326 G N -1.640 106.937 108.800 -0.372 0.000 2.417 326 G HA2 -0.049 3.910 3.960 -0.001 0.000 0.212 326 G HA3 -0.049 3.910 3.960 -0.001 0.000 0.212 326 G C 1.378 176.385 174.900 0.179 0.000 1.187 326 G CA 0.758 45.833 45.100 -0.041 0.000 0.804 326 G HN 0.403 nan 8.290 nan 0.000 0.534 327 Y N 0.621 120.761 120.300 -0.266 0.000 2.207 327 Y HA 0.005 4.555 4.550 -0.001 0.000 0.287 327 Y C 2.733 178.666 175.900 0.055 0.000 1.156 327 Y CA 0.542 58.504 58.100 -0.231 0.000 1.182 327 Y CB -0.126 38.210 38.460 -0.206 0.000 0.979 327 Y HN 0.108 nan 8.280 nan 0.000 0.521 328 M N -0.930 118.803 119.600 0.221 0.000 2.495 328 M HA 0.063 4.543 4.480 -0.001 0.000 0.237 328 M C 0.708 177.210 176.300 0.337 0.000 1.131 328 M CA 0.233 55.683 55.300 0.249 0.000 1.032 328 M CB -1.130 31.613 32.600 0.239 0.000 1.513 328 M HN -0.089 nan 8.290 nan 0.000 0.488 329 T N 2.464 117.241 114.554 0.372 0.000 2.919 329 T HA 0.133 4.482 4.350 -0.001 0.000 0.302 329 T C 0.317 175.192 174.700 0.291 0.000 1.031 329 T CA -0.101 62.241 62.100 0.403 0.000 1.127 329 T CB 0.440 69.615 68.868 0.511 0.000 0.952 329 T HN 0.216 nan 8.240 nan 0.000 0.540 330 N N 5.026 123.864 118.700 0.231 0.000 2.514 330 N HA 0.325 5.065 4.740 -0.001 0.000 0.277 330 N C -2.619 172.953 175.510 0.102 0.000 1.126 330 N CA -1.752 51.387 53.050 0.148 0.000 0.978 330 N CB 0.861 39.415 38.487 0.113 0.000 1.106 330 N HN 0.373 nan 8.380 nan 0.000 0.461 331 P HA 0.114 nan 4.420 nan 0.000 0.267 331 P C -0.306 176.993 177.300 -0.001 0.000 1.209 331 P CA 0.115 63.219 63.100 0.006 0.000 0.763 331 P CB 0.506 32.200 31.700 -0.010 0.000 0.816 332 L N 2.397 123.611 121.223 -0.016 0.000 2.379 332 L HA 0.288 4.627 4.340 -0.001 0.000 0.269 332 L C 1.309 178.163 176.870 -0.028 0.000 1.084 332 L CA -0.446 54.413 54.840 0.032 0.000 0.802 332 L CB 0.541 42.690 42.059 0.151 0.000 1.175 332 L HN 0.537 nan 8.230 nan 0.000 0.448 333 S N 1.719 117.438 115.700 0.032 0.000 3.003 333 S HA -0.294 4.176 4.470 -0.001 0.000 0.518 333 S C 0.643 175.212 174.600 -0.052 0.000 2.440 333 S CA 0.509 58.723 58.200 0.024 0.000 3.628 333 S CB -0.604 62.651 63.200 0.092 0.000 1.849 333 S HN 0.702 nan 8.310 nan 0.000 1.370 334 L N -1.131 120.068 121.223 -0.040 0.000 7.677 334 L HA -0.147 4.192 4.340 -0.001 0.000 0.053 334 L C 1.185 178.100 176.870 0.076 0.000 1.463 334 L CA 1.890 56.743 54.840 0.021 0.000 1.445 334 L CB -1.815 40.252 42.059 0.013 0.000 2.916 334 L HN 1.531 nan 8.230 nan 0.000 1.186 335 G N -1.593 107.238 108.800 0.052 0.000 3.969 335 G HA2 0.361 4.320 3.960 -0.001 0.000 0.291 335 G HA3 0.361 4.320 3.960 -0.001 0.000 0.291 335 G C 0.877 175.798 174.900 0.034 0.000 1.016 335 G CA 0.608 45.735 45.100 0.046 0.000 0.819 335 G HN 0.908 nan 8.290 nan 0.000 0.493 336 C N -1.942 117.380 119.300 0.037 0.000 2.568 336 C HA 0.207 4.667 4.460 -0.001 0.000 0.284 336 C C 1.868 176.880 174.990 0.037 0.000 1.338 336 C CA 0.963 59.999 59.018 0.029 0.000 1.724 336 C CB -0.059 27.695 27.740 0.023 0.000 2.131 336 C HN 0.274 nan 8.230 nan 0.000 0.513 337 D N 0.760 121.191 120.400 0.051 0.000 2.097 337 D HA -0.003 4.636 4.640 -0.001 0.000 0.197 337 D C 0.282 176.626 176.300 0.073 0.000 0.984 337 D CA 1.423 55.463 54.000 0.067 0.000 0.826 337 D CB -0.015 40.831 40.800 0.078 0.000 0.973 337 D HN 0.528 nan 8.370 nan 0.000 0.460 338 c N 1.470 120.095 118.600 0.041 0.000 2.364 338 c HA 0.442 5.012 4.570 -0.001 0.000 0.324 338 c C 0.096 174.125 174.090 -0.102 0.000 1.234 338 c CA -1.380 54.907 56.329 -0.071 0.000 1.417 338 c CB 1.730 44.122 42.510 -0.196 0.000 2.101 338 c HN 0.050 nan 8.230 nan 0.000 0.466 339 K N 2.211 122.564 120.400 -0.078 0.000 2.156 339 K HA 0.670 4.989 4.320 -0.001 0.000 0.271 339 K C 0.581 177.174 176.600 -0.011 0.000 0.995 339 K CA 0.758 57.035 56.287 -0.017 0.000 0.890 339 K CB 1.027 33.547 32.500 0.034 0.000 1.073 339 K HN 1.183 nan 8.250 nan 0.000 0.454 340 G N 0.945 109.751 108.800 0.009 0.000 2.384 340 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.204 340 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.204 340 G C -1.386 173.531 174.900 0.028 0.000 1.237 340 G CA -0.612 44.520 45.100 0.053 0.000 1.060 340 G HN 0.466 nan 8.290 nan 0.000 0.514 341 V N 1.948 121.903 119.914 0.070 0.000 2.368 341 V HA 0.501 4.621 4.120 -0.001 0.000 0.266 341 V C 0.306 176.440 176.094 0.067 0.000 1.045 341 V CA -0.452 61.883 62.300 0.058 0.000 0.899 341 V CB 0.811 32.672 31.823 0.062 0.000 1.006 341 V HN 0.568 nan 8.190 nan 0.000 0.470 342 I N 4.333 124.882 120.570 -0.033 0.000 2.441 342 I HA 0.417 4.587 4.170 -0.001 0.000 0.295 342 I C -0.058 175.982 176.117 -0.128 0.000 0.994 342 I CA -0.550 60.632 61.300 -0.195 0.000 1.144 342 I CB 1.559 39.181 38.000 -0.630 0.000 1.314 342 I HN 0.561 nan 8.210 nan 0.000 0.445 343 H N 6.445 125.439 119.070 -0.126 0.000 2.519 343 H HA 0.376 4.931 4.556 -0.001 0.000 0.316 343 H C -1.552 173.660 175.328 -0.194 0.000 1.065 343 H CA -0.215 55.806 56.048 -0.046 0.000 1.264 343 H CB 0.782 30.630 29.762 0.144 0.000 1.413 343 H HN 0.360 nan 8.280 nan 0.000 0.465 344 Y N 4.071 124.337 120.300 -0.056 0.000 2.387 344 Y HA 0.322 4.871 4.550 -0.001 0.000 0.330 344 Y C 0.160 176.048 175.900 -0.021 0.000 1.133 344 Y CA -0.643 57.442 58.100 -0.026 0.000 1.152 344 Y CB 1.471 39.883 38.460 -0.079 0.000 1.215 344 Y HN 0.405 nan 8.280 nan 0.000 0.466 345 L N 2.722 124.022 121.223 0.129 0.000 2.342 345 L HA 0.487 4.827 4.340 -0.001 0.000 0.271 345 L C -0.909 175.879 176.870 -0.137 0.000 1.008 345 L CA -1.085 53.750 54.840 -0.008 0.000 0.818 345 L CB 1.586 43.605 42.059 -0.068 0.000 1.296 345 L HN 0.539 nan 8.230 nan 0.000 0.427 346 D N 1.120 121.396 120.400 -0.206 0.000 2.229 346 D HA 0.596 5.235 4.640 -0.001 0.000 0.249 346 D C -0.317 175.607 176.300 -0.627 0.000 1.027 346 D CA -0.174 53.609 54.000 -0.361 0.000 0.923 346 D CB 2.087 42.713 40.800 -0.289 0.000 1.174 346 D HN 0.563 nan 8.370 nan 0.000 0.443 347 A N 1.369 123.760 122.820 -0.715 0.000 2.324 347 A HA 0.610 4.929 4.320 -0.001 0.000 0.330 347 A C -0.992 175.965 177.584 -1.044 0.000 1.165 347 A CA -0.532 51.025 52.037 -0.800 0.000 0.813 347 A CB 0.436 19.067 19.000 -0.615 0.000 1.197 347 A HN 0.673 nan 8.150 nan 0.000 0.484 348 H N 0.363 119.119 119.070 -0.523 0.000 2.589 348 H HA 0.660 5.216 4.556 -0.001 0.000 0.351 348 H C -1.297 173.842 175.328 -0.315 0.000 1.074 348 H CA -0.264 55.547 56.048 -0.396 0.000 1.203 348 H CB 1.453 31.138 29.762 -0.129 0.000 1.558 348 H HN 0.542 nan 8.280 nan 0.000 0.522 349 F N -0.315 119.803 119.950 0.280 0.000 2.764 349 F HA 0.554 5.081 4.527 -0.001 0.000 0.347 349 F C 0.441 176.345 175.800 0.172 0.000 1.151 349 F CA -1.203 56.957 58.000 0.268 0.000 1.021 349 F CB 1.489 40.736 39.000 0.411 0.000 1.438 349 F HN 0.386 nan 8.300 nan 0.000 0.516 350 S N -0.089 115.835 115.700 0.372 0.000 2.549 350 S HA 0.564 5.033 4.470 -0.001 0.000 0.297 350 S C -1.111 173.582 174.600 0.155 0.000 1.115 350 S CA -0.741 57.558 58.200 0.166 0.000 1.059 350 S CB 0.640 63.868 63.200 0.046 0.000 1.046 350 S HN 0.602 nan 8.310 nan 0.000 0.506 351 D N 2.088 122.542 120.400 0.088 0.000 2.466 351 D HA 0.261 4.900 4.640 -0.001 0.000 0.262 351 D C 1.250 177.605 176.300 0.091 0.000 1.177 351 D CA -0.748 53.292 54.000 0.067 0.000 1.035 351 D CB 0.233 41.066 40.800 0.054 0.000 1.105 351 D HN 0.557 nan 8.370 nan 0.000 0.551 352 R N -0.307 120.241 120.500 0.079 0.000 2.103 352 R HA -0.203 4.137 4.340 -0.001 0.000 0.242 352 R C 1.764 178.179 176.300 0.192 0.000 1.142 352 R CA 1.751 57.919 56.100 0.115 0.000 0.960 352 R CB -0.712 29.620 30.300 0.054 0.000 0.858 352 R HN 0.550 nan 8.270 nan 0.000 0.439 353 A N -0.532 122.365 122.820 0.128 0.000 2.119 353 A HA 0.106 4.426 4.320 -0.001 0.000 0.217 353 A C 1.536 179.189 177.584 0.115 0.000 1.153 353 A CA 1.225 53.340 52.037 0.129 0.000 0.692 353 A CB -0.270 18.768 19.000 0.064 0.000 0.799 353 A HN 0.681 nan 8.150 nan 0.000 0.458 354 G N -1.015 107.781 108.800 -0.007 0.000 2.144 354 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.218 354 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.218 354 G C -0.532 174.220 174.900 -0.246 0.000 0.988 354 G CA 0.106 44.958 45.100 -0.413 0.000 0.659 354 G HN 0.457 nan 8.290 nan 0.000 0.522 355 D N 1.349 121.692 120.400 -0.094 0.000 2.177 355 D HA 0.483 5.122 4.640 -0.001 0.000 0.247 355 D C -2.363 173.925 176.300 -0.019 0.000 1.063 355 D CA -1.312 52.656 54.000 -0.053 0.000 0.867 355 D CB 1.576 42.366 40.800 -0.017 0.000 1.168 355 D HN 0.045 nan 8.370 nan 0.000 0.445 356 P HA 0.137 nan 4.420 nan 0.000 0.268 356 P C -0.358 176.975 177.300 0.056 0.000 1.204 356 P CA -0.028 63.087 63.100 0.024 0.000 0.768 356 P CB 0.442 32.131 31.700 -0.018 0.000 0.842 357 I N -1.202 119.437 120.570 0.114 0.000 2.740 357 I HA 0.678 4.847 4.170 -0.001 0.000 0.303 357 I C -0.704 175.478 176.117 0.109 0.000 1.044 357 I CA -0.664 60.708 61.300 0.120 0.000 1.064 357 I CB 2.505 40.602 38.000 0.163 0.000 1.249 357 I HN 0.046 nan 8.210 nan 0.000 0.433 358 T N 3.955 118.559 114.554 0.084 0.000 2.841 358 T HA 0.514 4.863 4.350 -0.001 0.000 0.283 358 T C -0.457 174.229 174.700 -0.023 0.000 1.000 358 T CA -0.481 61.642 62.100 0.040 0.000 0.977 358 T CB 2.012 70.952 68.868 0.121 0.000 0.979 358 T HN 0.424 nan 8.240 nan 0.000 0.446 359 V N 4.821 124.655 119.914 -0.132 0.000 2.328 359 V HA 0.347 4.467 4.120 -0.001 0.000 0.278 359 V C 0.222 176.234 176.094 -0.137 0.000 1.021 359 V CA -1.024 61.238 62.300 -0.063 0.000 0.838 359 V CB 0.985 32.827 31.823 0.032 0.000 0.999 359 V HN 0.647 nan 8.190 nan 0.000 0.447 360 K N 3.369 123.712 120.400 -0.095 0.000 2.350 360 K HA 0.238 4.557 4.320 -0.001 0.000 0.279 360 K C 0.677 177.184 176.600 -0.156 0.000 1.027 360 K CA 0.128 56.339 56.287 -0.127 0.000 0.969 360 K CB 0.114 32.550 32.500 -0.108 0.000 0.954 360 K HN 0.808 nan 8.250 nan 0.000 0.474 361 N N 0.698 119.288 118.700 -0.182 0.000 2.738 361 N HA -0.265 4.475 4.740 -0.001 0.000 0.249 361 N C 0.407 175.881 175.510 -0.059 0.000 1.047 361 N CA 0.383 53.325 53.050 -0.180 0.000 0.707 361 N CB -0.725 37.450 38.487 -0.521 0.000 0.937 361 N HN 0.717 nan 8.380 nan 0.000 0.545 362 A N -0.632 122.110 122.820 -0.130 0.000 1.968 362 A HA 0.173 4.492 4.320 -0.001 0.000 0.217 362 A C 0.897 178.409 177.584 -0.120 0.000 1.169 362 A CA 1.119 53.054 52.037 -0.170 0.000 0.638 362 A CB 0.631 19.364 19.000 -0.446 0.000 0.812 362 A HN 0.176 nan 8.150 nan 0.000 0.446 363 V N -0.729 119.120 119.914 -0.107 0.000 2.604 363 V HA 0.339 4.458 4.120 -0.001 0.000 0.305 363 V C -0.743 175.401 176.094 0.083 0.000 1.043 363 V CA -0.933 61.360 62.300 -0.011 0.000 0.888 363 V CB 1.347 33.120 31.823 -0.082 0.000 0.995 363 V HN 0.302 nan 8.190 nan 0.000 0.429 364 c N 5.632 124.266 118.600 0.057 0.000 2.329 364 c HA 0.711 5.281 4.570 -0.001 0.000 0.329 364 c C -0.040 174.040 174.090 -0.017 0.000 1.275 364 c CA -0.521 55.762 56.329 -0.076 0.000 1.726 364 c CB 0.125 42.599 42.510 -0.059 0.000 2.291 364 c HN 0.718 nan 8.230 nan 0.000 0.514 365 I N 4.299 124.822 120.570 -0.079 0.000 2.447 365 I HA 0.537 4.706 4.170 -0.001 0.000 0.287 365 I C -0.199 175.922 176.117 0.008 0.000 1.023 365 I CA -0.081 61.168 61.300 -0.085 0.000 1.083 365 I CB 1.077 38.928 38.000 -0.247 0.000 1.245 365 I HN 0.938 nan 8.210 nan 0.000 0.434 366 H N 3.057 121.990 119.070 -0.230 0.000 2.981 366 H HA 0.607 5.163 4.556 -0.001 0.000 0.327 366 H C -1.803 173.462 175.328 -0.105 0.000 1.342 366 H CA -1.219 54.792 56.048 -0.062 0.000 1.123 366 H CB 1.354 31.117 29.762 0.003 0.000 1.851 366 H HN 0.518 nan 8.280 nan 0.000 0.531 367 E N 1.008 121.231 120.200 0.038 0.000 2.207 367 E HA 0.555 4.904 4.350 -0.001 0.000 0.270 367 E C -1.038 175.531 176.600 -0.052 0.000 0.927 367 E CA -1.051 55.297 56.400 -0.086 0.000 0.799 367 E CB 2.722 32.507 29.700 0.142 0.000 1.172 367 E HN 0.682 nan 8.360 nan 0.000 0.404 368 E N 1.381 121.528 120.200 -0.089 0.000 2.356 368 E HA 0.144 4.493 4.350 -0.001 0.000 0.275 368 E C -1.586 175.021 176.600 0.011 0.000 0.904 368 E CA -0.940 55.432 56.400 -0.045 0.000 0.757 368 E CB 2.228 31.850 29.700 -0.130 0.000 1.232 368 E HN 0.620 nan 8.360 nan 0.000 0.442 369 D N 0.663 121.079 120.400 0.026 0.000 2.443 369 D HA -0.039 4.601 4.640 -0.001 0.000 0.239 369 D C -0.387 175.917 176.300 0.007 0.000 1.136 369 D CA 0.587 54.603 54.000 0.028 0.000 0.879 369 D CB 0.583 41.396 40.800 0.020 0.000 1.195 369 D HN 0.282 nan 8.370 nan 0.000 0.443 370 D N 2.361 122.770 120.400 0.015 0.000 2.804 370 D HA 0.318 4.957 4.640 -0.001 0.000 0.308 370 D C 0.475 176.771 176.300 -0.005 0.000 1.371 370 D CA 0.554 54.554 54.000 0.001 0.000 0.823 370 D CB -0.100 40.711 40.800 0.019 0.000 1.126 370 D HN 0.674 nan 8.370 nan 0.000 0.467 371 G N 0.293 109.086 108.800 -0.011 0.000 2.562 371 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.250 371 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.250 371 G C -0.332 174.550 174.900 -0.030 0.000 1.269 371 G CA -0.284 44.805 45.100 -0.019 0.000 0.919 371 G HN 0.298 nan 8.290 nan 0.000 0.574 372 L N 0.536 121.739 121.223 -0.033 0.000 2.380 372 L HA 0.344 4.684 4.340 -0.001 0.000 0.273 372 L C 1.759 178.584 176.870 -0.076 0.000 1.138 372 L CA -0.640 54.164 54.840 -0.059 0.000 0.832 372 L CB 1.121 43.160 42.059 -0.033 0.000 1.124 372 L HN 0.582 nan 8.230 nan 0.000 0.454 373 L N 4.374 125.481 121.223 -0.194 0.000 2.145 373 L HA 0.244 4.583 4.340 -0.001 0.000 0.201 373 L C -0.055 176.732 176.870 -0.138 0.000 1.075 373 L CA 1.359 56.055 54.840 -0.239 0.000 0.773 373 L CB 0.209 41.977 42.059 -0.485 0.000 0.936 373 L HN 0.568 nan 8.230 nan 0.000 0.451 374 F N -2.796 117.176 119.950 0.037 0.000 2.719 374 F HA 0.562 5.089 4.527 -0.001 0.000 0.309 374 F C -0.732 175.098 175.800 0.050 0.000 1.138 374 F CA -1.425 56.598 58.000 0.038 0.000 0.943 374 F CB 0.889 39.908 39.000 0.033 0.000 1.304 374 F HN -0.250 nan 8.300 nan 0.000 0.445 375 K N 0.914 121.509 120.400 0.323 0.000 2.542 375 K HA 0.581 4.901 4.320 -0.001 0.000 0.259 375 K C -2.486 174.273 176.600 0.265 0.000 0.932 375 K CA -0.821 55.607 56.287 0.235 0.000 0.820 375 K CB 2.276 34.843 32.500 0.111 0.000 1.345 375 K HN 1.025 nan 8.250 nan 0.000 0.432 376 H N 0.258 119.403 119.070 0.125 0.000 3.029 376 H HA 0.516 5.071 4.556 -0.001 0.000 0.358 376 H C -1.829 173.564 175.328 0.108 0.000 1.129 376 H CA -0.245 55.859 56.048 0.094 0.000 1.230 376 H CB 1.979 31.789 29.762 0.080 0.000 1.827 376 H HN 0.528 nan 8.280 nan 0.000 0.530 377 S N 3.018 118.374 115.700 -0.574 0.000 2.568 377 S HA 0.242 4.711 4.470 -0.001 0.000 0.293 377 S C -1.279 173.158 174.600 -0.272 0.000 1.089 377 S CA -0.933 57.116 58.200 -0.252 0.000 0.945 377 S CB 1.662 64.863 63.200 0.001 0.000 1.077 377 S HN 0.676 nan 8.310 nan 0.000 0.485 378 D N 1.419 121.816 120.400 -0.004 0.000 2.317 378 D HA 0.252 4.891 4.640 -0.001 0.000 0.234 378 D C 0.873 177.139 176.300 -0.058 0.000 1.112 378 D CA -0.967 53.012 54.000 -0.035 0.000 0.840 378 D CB 0.542 41.281 40.800 -0.102 0.000 1.078 378 D HN 0.455 nan 8.370 nan 0.000 0.486 379 F N 3.451 123.392 119.950 -0.016 0.000 2.333 379 F HA -0.027 4.500 4.527 -0.001 0.000 0.300 379 F C 1.752 177.359 175.800 -0.322 0.000 1.083 379 F CA 0.502 58.277 58.000 -0.375 0.000 1.395 379 F CB -0.269 38.651 39.000 -0.134 0.000 1.056 379 F HN 0.211 nan 8.300 nan 0.000 0.529 380 R N 0.874 120.891 120.500 -0.805 0.000 2.120 380 R HA -0.116 4.224 4.340 -0.001 0.000 0.234 380 R C 0.479 176.623 176.300 -0.261 0.000 1.123 380 R CA 1.476 57.241 56.100 -0.558 0.000 0.975 380 R CB -0.583 29.366 30.300 -0.584 0.000 0.866 380 R HN 0.530 nan 8.270 nan 0.000 0.446 381 D N -1.468 118.791 120.400 -0.235 0.000 2.772 381 D HA 0.045 4.684 4.640 -0.001 0.000 0.272 381 D C -0.505 175.699 176.300 -0.160 0.000 1.314 381 D CA -0.594 53.318 54.000 -0.147 0.000 0.835 381 D CB -0.255 40.489 40.800 -0.093 0.000 1.080 381 D HN -0.093 nan 8.370 nan 0.000 0.482 382 N N 0.669 119.194 118.700 -0.291 0.000 2.735 382 N HA -0.287 4.452 4.740 -0.001 0.000 0.248 382 N C -0.632 174.698 175.510 -0.299 0.000 1.083 382 N CA 0.670 53.478 53.050 -0.403 0.000 0.703 382 N CB -1.634 36.756 38.487 -0.161 0.000 1.005 382 N HN 0.296 nan 8.380 nan 0.000 0.550 383 F N -5.215 114.742 119.950 0.012 0.000 2.840 383 F HA -0.311 4.216 4.527 -0.001 0.000 0.310 383 F C 1.739 177.550 175.800 0.019 0.000 0.688 383 F CA 0.835 58.835 58.000 0.000 0.000 1.286 383 F CB -2.070 36.934 39.000 0.006 0.000 1.612 383 F HN 0.306 nan 8.300 nan 0.000 0.335 384 A N -1.018 121.874 122.820 0.121 0.000 1.933 384 A HA -0.046 4.273 4.320 -0.001 0.000 0.218 384 A C 1.464 179.122 177.584 0.123 0.000 1.175 384 A CA 1.944 54.051 52.037 0.116 0.000 0.628 384 A CB -0.530 18.504 19.000 0.057 0.000 0.814 384 A HN 0.359 nan 8.150 nan 0.000 0.444 385 T N 1.021 115.619 114.554 0.073 0.000 2.738 385 T HA 0.435 4.784 4.350 -0.001 0.000 0.293 385 T C -0.248 174.508 174.700 0.093 0.000 0.913 385 T CA 0.575 62.709 62.100 0.056 0.000 1.103 385 T CB 0.226 69.099 68.868 0.009 0.000 0.880 385 T HN 0.291 nan 8.240 nan 0.000 0.526 386 S N 3.394 119.162 115.700 0.112 0.000 2.535 386 S HA 0.681 5.151 4.470 -0.001 0.000 0.272 386 S C -1.751 172.930 174.600 0.135 0.000 1.149 386 S CA -0.870 57.419 58.200 0.149 0.000 0.888 386 S CB 1.055 64.403 63.200 0.246 0.000 1.110 386 S HN 0.670 nan 8.310 nan 0.000 0.463 387 L N 4.538 125.852 121.223 0.151 0.000 2.438 387 L HA 0.891 5.230 4.340 -0.001 0.000 0.270 387 L C -1.764 175.228 176.870 0.203 0.000 0.972 387 L CA -0.491 54.443 54.840 0.156 0.000 0.831 387 L CB 1.760 43.907 42.059 0.147 0.000 1.273 387 L HN 0.536 nan 8.230 nan 0.000 0.405 388 V N 2.631 122.658 119.914 0.189 0.000 2.638 388 V HA 0.615 4.734 4.120 -0.001 0.000 0.306 388 V C -0.465 175.655 176.094 0.044 0.000 1.052 388 V CA -0.440 61.937 62.300 0.128 0.000 0.885 388 V CB 2.039 33.929 31.823 0.112 0.000 0.999 388 V HN 0.781 nan 8.190 nan 0.000 0.424 389 T N 4.361 118.838 114.554 -0.129 0.000 2.841 389 T HA 0.502 4.852 4.350 -0.001 0.000 0.285 389 T C -0.191 174.322 174.700 -0.313 0.000 0.991 389 T CA -0.678 61.252 62.100 -0.282 0.000 0.966 389 T CB 1.386 69.919 68.868 -0.558 0.000 0.962 389 T HN 0.543 nan 8.240 nan 0.000 0.438 390 R N 1.407 121.808 120.500 -0.165 0.000 2.490 390 R HA 0.679 5.019 4.340 -0.001 0.000 0.278 390 R C 0.117 176.350 176.300 -0.112 0.000 1.069 390 R CA -0.563 55.469 56.100 -0.114 0.000 1.080 390 R CB 0.899 31.172 30.300 -0.045 0.000 1.030 390 R HN 0.706 nan 8.270 nan 0.000 0.491 391 A N 1.707 124.486 122.820 -0.068 0.000 2.304 391 A HA 0.458 4.777 4.320 -0.001 0.000 0.301 391 A C -0.343 177.283 177.584 0.070 0.000 1.132 391 A CA -0.293 51.741 52.037 -0.005 0.000 0.819 391 A CB 1.087 20.093 19.000 0.011 0.000 1.094 391 A HN 0.617 nan 8.150 nan 0.000 0.492 392 T N 2.011 116.666 114.554 0.168 0.000 2.863 392 T HA 0.564 4.913 4.350 -0.001 0.000 0.285 392 T C -0.411 174.522 174.700 0.389 0.000 1.009 392 T CA -0.690 61.567 62.100 0.262 0.000 0.989 392 T CB 1.335 70.420 68.868 0.361 0.000 1.004 392 T HN 0.769 nan 8.240 nan 0.000 0.455 393 K N 1.517 122.031 120.400 0.190 0.000 2.328 393 K HA 0.788 5.108 4.320 -0.001 0.000 0.246 393 K C -1.411 174.966 176.600 -0.372 0.000 0.955 393 K CA -1.107 55.196 56.287 0.026 0.000 0.817 393 K CB 1.829 34.313 32.500 -0.027 0.000 1.208 393 K HN 0.369 nan 8.250 nan 0.000 0.432 394 L N 2.138 122.873 121.223 -0.814 0.000 2.296 394 L HA 0.425 4.765 4.340 -0.001 0.000 0.286 394 L C -1.479 175.145 176.870 -0.411 0.000 1.023 394 L CA -0.485 53.789 54.840 -0.942 0.000 0.812 394 L CB 1.832 42.902 42.059 -1.648 0.000 1.223 394 L HN 0.566 nan 8.230 nan 0.000 0.421 395 V N 5.746 125.447 119.914 -0.356 0.000 2.487 395 V HA 0.533 4.653 4.120 -0.001 0.000 0.298 395 V C -0.617 175.481 176.094 0.007 0.000 1.028 395 V CA -0.674 61.552 62.300 -0.123 0.000 0.860 395 V CB 1.901 33.611 31.823 -0.188 0.000 0.991 395 V HN 0.499 nan 8.190 nan 0.000 0.427 396 V N 4.506 124.514 119.914 0.158 0.000 2.378 396 V HA 0.722 4.842 4.120 -0.001 0.000 0.288 396 V C 0.016 176.278 176.094 0.279 0.000 1.016 396 V CA -0.219 62.191 62.300 0.184 0.000 0.840 396 V CB 1.618 33.566 31.823 0.209 0.000 0.994 396 V HN 1.022 nan 8.190 nan 0.000 0.431 397 S N 4.361 120.181 115.700 0.200 0.000 2.595 397 S HA 0.924 5.394 4.470 -0.001 0.000 0.281 397 S C -1.045 173.612 174.600 0.094 0.000 1.117 397 S CA -0.836 57.430 58.200 0.109 0.000 0.873 397 S CB 2.521 65.740 63.200 0.032 0.000 1.108 397 S HN 0.842 nan 8.310 nan 0.000 0.477 398 Q N 0.460 120.284 119.800 0.040 0.000 2.565 398 Q HA 0.783 5.122 4.340 -0.001 0.000 0.294 398 Q C -1.709 174.313 176.000 0.037 0.000 1.005 398 Q CA -1.164 54.713 55.803 0.123 0.000 0.771 398 Q CB 1.560 30.494 28.738 0.326 0.000 1.486 398 Q HN 0.748 nan 8.270 nan 0.000 0.422 399 I N 2.013 122.649 120.570 0.110 0.000 2.499 399 I HA 0.526 4.695 4.170 -0.001 0.000 0.288 399 I C -1.110 175.135 176.117 0.213 0.000 1.048 399 I CA -0.943 60.396 61.300 0.066 0.000 1.062 399 I CB 1.569 39.574 38.000 0.008 0.000 1.238 399 I HN 0.704 nan 8.210 nan 0.000 0.426 400 F N 2.745 122.779 119.950 0.141 0.000 2.561 400 F HA 0.812 5.338 4.527 -0.001 0.000 0.321 400 F C -0.636 175.262 175.800 0.163 0.000 1.065 400 F CA -0.636 57.462 58.000 0.163 0.000 0.934 400 F CB 1.775 40.879 39.000 0.173 0.000 1.215 400 F HN 0.167 nan 8.300 nan 0.000 0.471 401 T N 2.503 117.258 114.554 0.335 0.000 2.791 401 T HA 0.672 5.022 4.350 -0.001 0.000 0.288 401 T C -0.557 174.282 174.700 0.231 0.000 0.999 401 T CA -0.501 61.702 62.100 0.172 0.000 0.952 401 T CB 1.192 70.124 68.868 0.107 0.000 0.938 401 T HN 0.903 nan 8.240 nan 0.000 0.444 402 A N 2.879 125.807 122.820 0.179 0.000 2.511 402 A HA 0.776 5.096 4.320 -0.001 0.000 0.340 402 A C 1.166 178.677 177.584 -0.120 0.000 1.396 402 A CA 0.075 52.118 52.037 0.010 0.000 0.887 402 A CB -0.817 18.248 19.000 0.108 0.000 1.145 402 A HN 1.496 nan 8.150 nan 0.000 0.497 403 A N 2.316 125.071 122.820 -0.108 0.000 4.974 403 A HA -0.311 4.009 4.320 -0.001 0.000 0.339 403 A C 1.028 178.636 177.584 0.040 0.000 1.785 403 A CA 1.727 53.761 52.037 -0.006 0.000 0.707 403 A CB -2.079 16.924 19.000 0.006 0.000 1.430 403 A HN 1.532 nan 8.150 nan 0.000 0.398 407 Y N 1.182 121.170 120.300 -0.520 0.000 2.328 407 Y HA 0.453 5.002 4.550 -0.001 0.000 0.333 407 Y C -0.378 175.281 175.900 -0.402 0.000 0.958 407 Y CA -0.818 56.972 58.100 -0.517 0.000 1.167 407 Y CB 1.211 39.145 38.460 -0.877 0.000 1.151 407 Y HN 0.464 nan 8.280 nan 0.000 0.470 408 C N 5.682 124.896 119.300 -0.143 0.000 2.255 408 C HA 0.622 5.082 4.460 -0.001 0.000 0.326 408 C C -0.043 174.738 174.990 -0.349 0.000 1.258 408 C CA -1.209 57.673 59.018 -0.227 0.000 1.676 408 C CB -1.053 26.631 27.740 -0.093 0.000 2.314 408 C HN 0.646 nan 8.230 nan 0.000 0.509 409 L N 3.641 124.590 121.223 -0.456 0.000 2.322 409 L HA 0.540 4.879 4.340 -0.001 0.000 0.281 409 L C -1.094 175.414 176.870 -0.602 0.000 1.014 409 L CA -0.469 54.138 54.840 -0.388 0.000 0.815 409 L CB 0.868 42.863 42.059 -0.108 0.000 1.247 409 L HN 0.613 nan 8.230 nan 0.000 0.421 410 Y N 0.747 120.896 120.300 -0.251 0.000 2.327 410 Y HA 0.309 4.858 4.550 -0.001 0.000 0.325 410 Y C -0.915 174.793 175.900 -0.320 0.000 0.999 410 Y CA -0.642 57.360 58.100 -0.165 0.000 1.195 410 Y CB 1.198 39.584 38.460 -0.123 0.000 1.132 410 Y HN 0.466 nan 8.280 nan 0.000 0.455 411 W N 3.706 125.029 121.300 0.038 0.000 2.331 411 W HA 0.648 5.307 4.660 -0.001 0.000 0.306 411 W C -0.934 175.526 176.519 -0.099 0.000 1.162 411 W CA -0.772 56.526 57.345 -0.079 0.000 1.232 411 W CB 1.174 30.595 29.460 -0.065 0.000 1.235 411 W HN 0.127 nan 8.180 nan 0.000 0.479 412 V N 5.206 125.078 119.914 -0.070 0.000 2.444 412 V HA 0.411 4.531 4.120 -0.001 0.000 0.294 412 V C -0.578 175.349 176.094 -0.279 0.000 1.022 412 V CA -1.170 61.065 62.300 -0.108 0.000 0.850 412 V CB 0.604 32.361 31.823 -0.110 0.000 0.992 412 V HN 0.263 nan 8.190 nan 0.000 0.426 413 F N 4.626 124.436 119.950 -0.233 0.000 2.421 413 F HA 0.716 5.242 4.527 -0.001 0.000 0.337 413 F C 0.382 176.252 175.800 0.115 0.000 1.105 413 F CA -0.436 57.429 58.000 -0.225 0.000 1.049 413 F CB 1.686 40.418 39.000 -0.446 0.000 1.139 413 F HN 0.277 nan 8.300 nan 0.000 0.479 414 M N 2.098 121.999 119.600 0.501 0.000 2.602 414 M HA 0.309 4.789 4.480 -0.001 0.000 0.312 414 M C 0.478 177.181 176.300 0.671 0.000 1.181 414 M CA -0.593 55.025 55.300 0.529 0.000 0.910 414 M CB 2.209 34.974 32.600 0.275 0.000 1.723 414 M HN 0.595 nan 8.290 nan 0.000 0.459 415 Q N 0.757 120.836 119.800 0.464 0.000 2.482 415 Q HA -0.095 4.244 4.340 -0.001 0.000 0.209 415 Q C 0.408 176.520 176.000 0.186 0.000 0.961 415 Q CA 0.639 56.606 55.803 0.272 0.000 0.945 415 Q CB 0.050 28.872 28.738 0.140 0.000 1.012 415 Q HN 0.658 nan 8.270 nan 0.000 0.515 416 D N -1.218 119.299 120.400 0.195 0.000 2.328 416 D HA 0.032 4.672 4.640 -0.001 0.000 0.221 416 D C 1.124 177.454 176.300 0.051 0.000 1.072 416 D CA 0.689 54.743 54.000 0.090 0.000 0.850 416 D CB 0.184 41.045 40.800 0.103 0.000 0.922 416 D HN 0.223 nan 8.370 nan 0.000 0.516 417 G N -0.306 108.616 108.800 0.203 0.000 2.176 417 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.253 417 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.253 417 G C 0.515 175.732 174.900 0.529 0.000 0.979 417 G CA 0.188 45.454 45.100 0.277 0.000 0.641 417 G HN 0.828 nan 8.290 nan 0.000 0.530 418 A N -0.297 122.742 122.820 0.364 0.000 2.322 418 A HA 0.791 5.111 4.320 -0.001 0.000 0.269 418 A C 0.191 177.900 177.584 0.209 0.000 1.094 418 A CA 0.037 52.232 52.037 0.263 0.000 0.807 418 A CB 0.516 19.588 19.000 0.120 0.000 1.047 418 A HN 0.832 nan 8.150 nan 0.000 0.487 419 I N 0.821 121.437 120.570 0.078 0.000 2.498 419 I HA 0.496 4.666 4.170 -0.001 0.000 0.290 419 I C 0.151 176.173 176.117 -0.158 0.000 1.032 419 I CA -0.362 60.802 61.300 -0.227 0.000 1.073 419 I CB 1.943 39.742 38.000 -0.337 0.000 1.251 419 I HN 0.794 nan 8.210 nan 0.000 0.426 420 R N 5.045 125.411 120.500 -0.223 0.000 2.750 420 R HA 0.704 5.044 4.340 -0.001 0.000 0.281 420 R C -1.895 174.249 176.300 -0.260 0.000 0.972 420 R CA -0.813 55.171 56.100 -0.192 0.000 0.912 420 R CB 2.044 32.257 30.300 -0.146 0.000 1.187 420 R HN 0.510 nan 8.270 nan 0.000 0.464 421 L N 3.223 124.242 121.223 -0.341 0.000 2.305 421 L HA 0.480 4.819 4.340 -0.001 0.000 0.284 421 L C -1.541 175.100 176.870 -0.381 0.000 1.013 421 L CA -0.201 54.325 54.840 -0.524 0.000 0.819 421 L CB 1.645 43.232 42.059 -0.787 0.000 1.227 421 L HN 0.596 nan 8.230 nan 0.000 0.417 422 D N 6.000 126.232 120.400 -0.281 0.000 2.278 422 D HA 0.541 5.180 4.640 -0.001 0.000 0.245 422 D C -0.487 175.777 176.300 -0.059 0.000 1.052 422 D CA 0.184 54.098 54.000 -0.144 0.000 0.834 422 D CB 2.220 42.956 40.800 -0.108 0.000 1.194 422 D HN 0.440 nan 8.370 nan 0.000 0.481 423 I N 1.594 122.123 120.570 -0.068 0.000 2.608 423 I HA 0.395 4.564 4.170 -0.001 0.000 0.295 423 I C 0.043 176.165 176.117 0.008 0.000 1.049 423 I CA -0.796 60.474 61.300 -0.051 0.000 1.063 423 I CB 2.080 39.953 38.000 -0.212 0.000 1.248 423 I HN -0.051 nan 8.210 nan 0.000 0.424 424 R N 6.130 126.666 120.500 0.060 0.000 2.480 424 R HA 0.630 4.970 4.340 -0.001 0.000 0.306 424 R C -1.360 174.891 176.300 -0.081 0.000 0.958 424 R CA -0.847 55.256 56.100 0.005 0.000 0.861 424 R CB 2.219 32.562 30.300 0.072 0.000 1.171 424 R HN 0.485 nan 8.270 nan 0.000 0.445 425 L N 2.153 123.283 121.223 -0.155 0.000 2.275 425 L HA 0.487 4.827 4.340 -0.001 0.000 0.288 425 L C 0.578 177.296 176.870 -0.255 0.000 1.046 425 L CA -0.225 54.434 54.840 -0.302 0.000 0.805 425 L CB 1.642 43.474 42.059 -0.379 0.000 1.193 425 L HN 0.678 nan 8.230 nan 0.000 0.426 426 T N 1.069 115.449 114.554 -0.291 0.000 2.572 426 T HA 0.827 5.176 4.350 -0.001 0.000 0.274 426 T C 0.018 174.569 174.700 -0.249 0.000 0.949 426 T CA 0.405 62.372 62.100 -0.222 0.000 1.126 426 T CB 1.398 70.159 68.868 -0.178 0.000 1.478 426 T HN 0.979 nan 8.240 nan 0.000 0.492 427 G N 0.344 109.004 108.800 -0.234 0.000 2.484 427 G HA2 -0.050 3.910 3.960 -0.001 0.000 0.225 427 G HA3 -0.050 3.910 3.960 -0.001 0.000 0.225 427 G C -0.969 173.786 174.900 -0.241 0.000 1.250 427 G CA -0.149 44.806 45.100 -0.240 0.000 0.926 427 G HN 0.947 nan 8.290 nan 0.000 0.581 428 I N 0.757 121.174 120.570 -0.255 0.000 2.569 428 I HA 0.436 4.605 4.170 -0.001 0.000 0.296 428 I C 0.675 176.675 176.117 -0.196 0.000 1.028 428 I CA -0.916 60.216 61.300 -0.280 0.000 1.082 428 I CB 1.829 39.525 38.000 -0.507 0.000 1.264 428 I HN 0.515 nan 8.210 nan 0.000 0.429 429 L N 4.935 126.151 121.223 -0.012 0.000 2.525 429 L HA 0.012 4.352 4.340 -0.001 0.000 0.278 429 L C 0.921 177.794 176.870 0.005 0.000 1.218 429 L CA 0.256 55.133 54.840 0.063 0.000 0.878 429 L CB -0.126 42.036 42.059 0.171 0.000 1.127 429 L HN 0.669 nan 8.230 nan 0.000 0.492 430 N N 2.189 120.925 118.700 0.061 0.000 2.483 430 N HA 0.065 4.805 4.740 -0.001 0.000 0.264 430 N C -0.689 174.897 175.510 0.127 0.000 1.197 430 N CA -0.103 53.030 53.050 0.138 0.000 0.927 430 N CB 0.879 39.439 38.487 0.123 0.000 1.065 430 N HN 0.705 nan 8.380 nan 0.000 0.461 431 T N 0.839 115.543 114.554 0.250 0.000 2.907 431 T HA 0.438 4.787 4.350 -0.001 0.000 0.292 431 T C -1.028 173.747 174.700 0.126 0.000 1.043 431 T CA -0.751 61.431 62.100 0.136 0.000 1.003 431 T CB 1.599 70.594 68.868 0.212 0.000 1.084 431 T HN 0.503 nan 8.240 nan 0.000 0.483 432 Y N 1.113 121.274 120.300 -0.232 0.000 2.605 432 Y HA 0.686 5.236 4.550 -0.001 0.000 0.343 432 Y C -0.560 175.241 175.900 -0.165 0.000 1.036 432 Y CA -2.062 55.891 58.100 -0.245 0.000 1.065 432 Y CB 1.527 39.760 38.460 -0.378 0.000 1.288 432 Y HN 0.993 nan 8.280 nan 0.000 0.481 433 I N 4.291 124.250 120.570 -1.018 0.000 2.696 433 I HA 0.270 4.439 4.170 -0.001 0.000 0.284 433 I C -1.338 174.537 176.117 -0.403 0.000 1.129 433 I CA -0.320 60.604 61.300 -0.626 0.000 1.410 433 I CB 0.573 38.209 38.000 -0.606 0.000 1.399 433 I HN 0.608 nan 8.210 nan 0.000 0.579 434 L N 7.130 128.232 121.223 -0.202 0.000 2.381 434 L HA 0.633 4.972 4.340 -0.001 0.000 0.274 434 L C 0.066 176.896 176.870 -0.066 0.000 0.988 434 L CA -0.104 54.686 54.840 -0.083 0.000 0.824 434 L CB 1.511 43.533 42.059 -0.062 0.000 1.263 434 L HN 0.642 nan 8.230 nan 0.000 0.410 435 G N 2.296 111.082 108.800 -0.025 0.000 2.594 435 G HA2 0.102 4.062 3.960 -0.001 0.000 0.243 435 G HA3 0.102 4.062 3.960 -0.001 0.000 0.243 435 G C 0.316 175.209 174.900 -0.012 0.000 1.229 435 G CA -0.196 44.895 45.100 -0.015 0.000 0.843 435 G HN 0.781 nan 8.290 nan 0.000 0.578 436 D N -0.018 120.379 120.400 -0.005 0.000 2.133 436 D HA -0.093 4.546 4.640 -0.001 0.000 0.195 436 D C 1.325 177.623 176.300 -0.003 0.000 0.997 436 D CA 1.338 55.338 54.000 0.000 0.000 0.840 436 D CB 0.223 41.027 40.800 0.007 0.000 0.947 436 D HN 0.435 nan 8.370 nan 0.000 0.452 437 D N 0.135 120.536 120.400 0.001 0.000 2.402 437 D HA 0.013 4.653 4.640 -0.001 0.000 0.216 437 D C 0.233 176.537 176.300 0.008 0.000 1.128 437 D CA -0.092 53.910 54.000 0.002 0.000 0.833 437 D CB 0.551 41.354 40.800 0.004 0.000 0.971 437 D HN 0.303 nan 8.370 nan 0.000 0.503 438 E N 1.744 121.951 120.200 0.012 0.000 2.289 438 E HA 0.103 4.453 4.350 -0.001 0.000 0.278 438 E C -0.376 176.236 176.600 0.020 0.000 1.032 438 E CA -0.440 55.977 56.400 0.027 0.000 0.854 438 E CB 1.052 30.779 29.700 0.044 0.000 1.046 438 E HN -0.164 nan 8.360 nan 0.000 0.409 439 E N 3.079 123.292 120.200 0.023 0.000 2.259 439 E HA 0.244 4.593 4.350 -0.001 0.000 0.281 439 E C -0.160 176.458 176.600 0.031 0.000 1.027 439 E CA 0.168 56.573 56.400 0.009 0.000 0.838 439 E CB 1.490 31.183 29.700 -0.011 0.000 1.066 439 E HN 0.533 nan 8.360 nan 0.000 0.401 440 A N 4.047 126.883 122.820 0.026 0.000 1.935 440 A HA 0.224 4.543 4.320 -0.001 0.000 0.214 440 A C 1.300 178.911 177.584 0.046 0.000 1.178 440 A CA 0.816 52.894 52.037 0.069 0.000 0.640 440 A CB -0.762 18.271 19.000 0.054 0.000 0.825 440 A HN 0.649 nan 8.150 nan 0.000 0.447 441 G N -0.368 108.410 108.800 -0.036 0.000 2.636 441 G HA2 0.383 4.343 3.960 -0.001 0.000 0.246 441 G HA3 0.383 4.343 3.960 -0.001 0.000 0.246 441 G C -1.190 173.516 174.900 -0.324 0.000 1.216 441 G CA -0.296 44.721 45.100 -0.138 0.000 0.854 441 G HN 0.218 nan 8.290 nan 0.000 0.572 442 P HA 0.065 nan 4.420 nan 0.000 0.255 442 P C 0.438 177.510 177.300 -0.380 0.000 1.248 442 P CA 0.437 63.170 63.100 -0.613 0.000 0.807 442 P CB 0.152 31.319 31.700 -0.887 0.000 1.150 443 W N 0.434 121.791 121.300 0.095 0.000 3.197 443 W HA 0.430 5.090 4.660 -0.000 0.000 0.274 443 W C 0.996 177.623 176.519 0.179 0.000 1.297 443 W CA -0.147 57.263 57.345 0.108 0.000 1.662 443 W CB 0.427 29.904 29.460 0.029 0.000 1.106 443 W HN -0.024 nan 8.180 nan 0.000 0.663 444 G N -0.514 108.483 108.800 0.328 0.000 2.606 444 G HA2 0.527 4.487 3.960 -0.001 0.000 0.300 444 G HA3 0.527 4.487 3.960 -0.001 0.000 0.300 444 G C -1.449 173.547 174.900 0.160 0.000 1.360 444 G CA -0.604 44.676 45.100 0.301 0.000 0.783 444 G HN -0.298 nan 8.290 nan 0.000 0.484 445 T N 0.059 114.679 114.554 0.110 0.000 2.861 445 T HA 0.465 4.815 4.350 -0.001 0.000 0.287 445 T C -0.063 174.633 174.700 -0.006 0.000 1.003 445 T CA -0.624 61.506 62.100 0.051 0.000 0.977 445 T CB 1.895 70.801 68.868 0.063 0.000 0.996 445 T HN 0.560 nan 8.240 nan 0.000 0.448 446 R N 2.869 123.355 120.500 -0.023 0.000 2.351 446 R HA 0.268 4.608 4.340 -0.001 0.000 0.321 446 R C 1.095 177.348 176.300 -0.078 0.000 1.182 446 R CA -0.184 55.877 56.100 -0.065 0.000 1.011 446 R CB -0.249 30.015 30.300 -0.060 0.000 1.048 446 R HN 0.580 nan 8.270 nan 0.000 0.490 447 V N 2.232 122.059 119.914 -0.144 0.000 3.608 447 V HA 0.246 4.365 4.120 -0.001 0.000 0.269 447 V C -0.178 175.885 176.094 -0.051 0.000 1.245 447 V CA 0.118 62.337 62.300 -0.135 0.000 1.138 447 V CB -0.863 30.805 31.823 -0.258 0.000 0.841 447 V HN 0.674 nan 8.190 nan 0.000 0.451 448 Y N -0.715 119.425 120.300 -0.266 0.000 2.620 448 Y HA 0.582 5.131 4.550 -0.001 0.000 0.331 448 Y C -3.155 172.609 175.900 -0.226 0.000 1.173 448 Y CA -2.305 55.694 58.100 -0.168 0.000 1.076 448 Y CB 1.706 40.110 38.460 -0.094 0.000 1.336 448 Y HN -0.119 nan 8.280 nan 0.000 0.459 449 P HA 0.095 nan 4.420 nan 0.000 0.262 449 P C -0.552 176.511 177.300 -0.396 0.000 1.182 449 P CA 1.126 63.834 63.100 -0.653 0.000 0.761 449 P CB 0.323 31.268 31.700 -1.259 0.000 0.795 450 N N -0.536 118.034 118.700 -0.217 0.000 2.753 450 N HA -0.134 4.605 4.740 -0.001 0.000 0.251 450 N C -0.846 174.580 175.510 -0.140 0.000 1.097 450 N CA 0.747 53.718 53.050 -0.132 0.000 0.786 450 N CB -1.494 36.945 38.487 -0.080 0.000 1.137 450 N HN 0.169 nan 8.380 nan 0.000 0.566 451 V N 1.120 120.950 119.914 -0.140 0.000 2.444 451 V HA 0.349 4.468 4.120 -0.001 0.000 0.294 451 V C 0.176 176.169 176.094 -0.169 0.000 1.022 451 V CA -0.881 61.322 62.300 -0.161 0.000 0.850 451 V CB 2.113 33.806 31.823 -0.216 0.000 0.992 451 V HN 0.122 nan 8.190 nan 0.000 0.426 452 N N 3.857 122.465 118.700 -0.153 0.000 2.469 452 N HA 0.557 5.296 4.740 -0.001 0.000 0.253 452 N C -0.369 175.016 175.510 -0.207 0.000 0.970 452 N CA -0.278 52.696 53.050 -0.127 0.000 0.940 452 N CB 1.826 40.283 38.487 -0.049 0.000 1.128 452 N HN 0.808 nan 8.380 nan 0.000 0.503 453 A N 3.865 126.608 122.820 -0.129 0.000 2.260 453 A HA 0.315 4.635 4.320 -0.001 0.000 0.312 453 A C -0.326 177.304 177.584 0.076 0.000 1.321 453 A CA -0.461 51.535 52.037 -0.068 0.000 0.928 453 A CB -0.275 18.698 19.000 -0.044 0.000 1.158 453 A HN 0.851 nan 8.150 nan 0.000 0.542 454 H N 2.083 121.257 119.070 0.174 0.000 2.707 454 H HA 0.097 4.653 4.556 -0.001 0.000 0.359 454 H C 0.187 175.684 175.328 0.281 0.000 1.113 454 H CA -0.525 55.667 56.048 0.239 0.000 1.422 454 H CB 0.689 30.610 29.762 0.266 0.000 1.443 454 H HN 0.666 nan 8.280 nan 0.000 0.591 455 N N 2.770 121.676 118.700 0.342 0.000 2.441 455 N HA 0.006 4.745 4.740 -0.001 0.000 0.251 455 N C -0.215 175.256 175.510 -0.064 0.000 1.242 455 N CA 0.423 53.517 53.050 0.073 0.000 0.898 455 N CB 0.404 38.970 38.487 0.131 0.000 1.100 455 N HN 0.683 nan 8.380 nan 0.000 0.443 456 H N -1.773 117.007 119.070 -0.483 0.000 3.003 456 H HA 0.341 4.896 4.556 -0.001 0.000 0.327 456 H C -1.341 173.692 175.328 -0.491 0.000 1.353 456 H CA -0.780 54.865 56.048 -0.672 0.000 1.142 456 H CB 0.880 29.763 29.762 -1.466 0.000 1.864 456 H HN 0.392 nan 8.280 nan 0.000 0.529 457 Q N 0.644 120.214 119.800 -0.383 0.000 2.301 457 Q HA 0.359 4.698 4.340 -0.001 0.000 0.267 457 Q C -0.736 175.107 176.000 -0.261 0.000 1.035 457 Q CA -0.930 54.709 55.803 -0.273 0.000 0.856 457 Q CB 2.306 30.941 28.738 -0.172 0.000 1.337 457 Q HN 0.520 nan 8.270 nan 0.000 0.450 458 H N 2.086 121.127 119.070 -0.048 0.000 2.638 458 H HA 0.411 4.967 4.556 -0.001 0.000 0.317 458 H C -0.817 174.361 175.328 -0.251 0.000 1.006 458 H CA -0.272 55.721 56.048 -0.091 0.000 1.222 458 H CB 0.817 30.639 29.762 0.101 0.000 1.419 458 H HN 0.350 nan 8.280 nan 0.000 0.489 459 L N 3.922 124.958 121.223 -0.312 0.000 2.346 459 L HA 0.490 4.829 4.340 -0.001 0.000 0.274 459 L C -0.802 175.798 176.870 -0.450 0.000 1.007 459 L CA -0.757 53.937 54.840 -0.243 0.000 0.818 459 L CB 1.535 43.556 42.059 -0.064 0.000 1.284 459 L HN 0.372 nan 8.230 nan 0.000 0.424 460 F N -0.002 119.807 119.950 -0.234 0.000 2.563 460 F HA 0.430 4.957 4.527 -0.001 0.000 0.316 460 F C 0.228 175.876 175.800 -0.255 0.000 1.076 460 F CA -0.738 57.044 58.000 -0.365 0.000 0.921 460 F CB 2.262 40.740 39.000 -0.870 0.000 1.209 460 F HN 0.253 nan 8.300 nan 0.000 0.462 461 S N 3.197 118.794 115.700 -0.171 0.000 2.532 461 S HA 0.476 4.945 4.470 -0.001 0.000 0.318 461 S C -1.119 173.545 174.600 0.107 0.000 1.083 461 S CA -0.553 57.545 58.200 -0.169 0.000 1.131 461 S CB 0.171 62.843 63.200 -0.879 0.000 0.973 461 S HN 0.557 nan 8.310 nan 0.000 0.468 462 L N 5.937 127.349 121.223 0.315 0.000 2.360 462 L HA 0.518 4.858 4.340 -0.001 0.000 0.276 462 L C 0.225 177.132 176.870 0.062 0.000 1.121 462 L CA 0.274 55.273 54.840 0.264 0.000 0.845 462 L CB 0.564 42.810 42.059 0.311 0.000 1.143 462 L HN 0.695 nan 8.230 nan 0.000 0.452 463 R N 6.359 126.784 120.500 -0.125 0.000 2.265 463 R HA 0.563 4.902 4.340 -0.001 0.000 0.328 463 R C -1.401 174.656 176.300 -0.405 0.000 0.969 463 R CA -0.532 55.251 56.100 -0.529 0.000 0.832 463 R CB 0.609 30.535 30.300 -0.623 0.000 1.139 463 R HN 0.773 nan 8.270 nan 0.000 0.457 464 I N 3.594 123.930 120.570 -0.391 0.000 2.362 464 I HA 0.175 4.344 4.170 -0.001 0.000 0.289 464 I C -0.567 175.413 176.117 -0.229 0.000 0.994 464 I CA -0.758 60.324 61.300 -0.365 0.000 1.158 464 I CB 1.835 39.583 38.000 -0.421 0.000 1.315 464 I HN 0.513 nan 8.210 nan 0.000 0.451 465 D N 9.660 129.961 120.400 -0.166 0.000 2.473 465 D HA 0.319 4.958 4.640 -0.001 0.000 0.226 465 D C -2.509 173.838 176.300 0.078 0.000 1.089 465 D CA -2.086 51.911 54.000 -0.005 0.000 0.883 465 D CB 1.288 42.125 40.800 0.061 0.000 1.029 465 D HN 0.148 nan 8.370 nan 0.000 0.517 466 P HA 0.335 nan 4.420 nan 0.000 0.279 466 P C -0.481 176.903 177.300 0.139 0.000 1.252 466 P CA -0.589 62.652 63.100 0.234 0.000 0.811 466 P CB 1.235 33.048 31.700 0.188 0.000 1.035 467 R N 1.851 122.424 120.500 0.122 0.000 2.593 467 R HA 0.263 4.602 4.340 -0.001 0.000 0.258 467 R C -0.368 175.957 176.300 0.042 0.000 1.410 467 R CA -0.359 55.776 56.100 0.060 0.000 1.537 467 R CB -0.028 30.317 30.300 0.075 0.000 1.362 467 R HN 0.316 nan 8.270 nan 0.000 0.734 468 I N 2.630 123.234 120.570 0.057 0.000 2.576 468 I HA -0.000 4.169 4.170 -0.001 0.000 0.288 468 I C 0.568 176.783 176.117 0.164 0.000 1.126 468 I CA 0.790 62.159 61.300 0.115 0.000 1.362 468 I CB 0.176 38.280 38.000 0.175 0.000 1.419 468 I HN 0.615 nan 8.210 nan 0.000 0.533 469 D N 5.022 125.558 120.400 0.226 0.000 2.911 469 D HA -0.165 4.475 4.640 -0.001 0.000 0.227 469 D C 0.655 176.971 176.300 0.027 0.000 1.164 469 D CA 1.627 55.670 54.000 0.072 0.000 0.782 469 D CB -0.637 40.100 40.800 -0.103 0.000 1.094 469 D HN 1.159 nan 8.370 nan 0.000 0.425 470 G N -1.111 107.715 108.800 0.045 0.000 2.396 470 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.254 470 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.254 470 G C -1.152 173.754 174.900 0.010 0.000 1.248 470 G CA -0.192 44.920 45.100 0.020 0.000 1.033 470 G HN 0.208 nan 8.290 nan 0.000 0.502 471 D N 1.153 121.549 120.400 -0.007 0.000 2.210 471 D HA 0.540 5.179 4.640 -0.001 0.000 0.249 471 D C 0.733 177.022 176.300 -0.017 0.000 1.062 471 D CA 1.367 55.354 54.000 -0.021 0.000 0.891 471 D CB 1.193 41.973 40.800 -0.033 0.000 1.186 471 D HN 2.045 nan 8.370 nan 0.000 0.432 472 G N 1.670 110.456 108.800 -0.023 0.000 2.860 472 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.547 472 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.547 472 G C -0.760 174.115 174.900 -0.042 0.000 1.103 472 G CA -0.828 44.258 45.100 -0.024 0.000 1.126 472 G HN 0.417 nan 8.290 nan 0.000 0.490 473 N N -0.331 118.332 118.700 -0.062 0.000 2.469 473 N HA 0.886 5.626 4.740 -0.001 0.000 0.286 473 N C -0.196 175.180 175.510 -0.224 0.000 1.275 473 N CA -0.342 52.629 53.050 -0.131 0.000 0.790 473 N CB 2.217 40.670 38.487 -0.056 0.000 1.446 473 N HN 0.503 nan 8.380 nan 0.000 0.501 474 S N -0.708 114.691 115.700 -0.502 0.000 2.651 474 S HA 0.931 5.400 4.470 -0.001 0.000 0.279 474 S C -1.184 173.128 174.600 -0.481 0.000 1.148 474 S CA -0.706 57.173 58.200 -0.535 0.000 0.837 474 S CB 2.037 64.733 63.200 -0.841 0.000 1.138 474 S HN 0.722 nan 8.310 nan 0.000 0.478 475 A N 0.251 123.024 122.820 -0.077 0.000 2.479 475 A HA 1.019 5.338 4.320 -0.001 0.000 0.296 475 A C -1.009 176.537 177.584 -0.063 0.000 1.121 475 A CA -0.567 51.583 52.037 0.189 0.000 0.743 475 A CB 1.538 20.872 19.000 0.555 0.000 1.323 475 A HN 1.466 nan 8.150 nan 0.000 0.415 476 A N -0.455 122.273 122.820 -0.153 0.000 2.606 476 A HA 0.857 5.177 4.320 -0.001 0.000 0.293 476 A C -0.418 176.991 177.584 -0.291 0.000 1.082 476 A CA 0.049 51.757 52.037 -0.548 0.000 0.685 476 A CB 0.935 19.907 19.000 -0.047 0.000 1.284 476 A HN 2.457 nan 8.150 nan 0.000 0.408 477 A N -0.094 122.551 122.820 -0.293 0.000 2.306 477 A HA 0.623 4.943 4.320 -0.001 0.000 0.314 477 A C -0.352 177.147 177.584 -0.141 0.000 1.164 477 A CA -0.337 51.629 52.037 -0.119 0.000 0.822 477 A CB 0.261 19.304 19.000 0.072 0.000 1.130 477 A HN 1.285 nan 8.150 nan 0.000 0.496 478 C N 2.085 121.266 119.300 -0.199 0.000 2.340 478 C HA 0.636 5.096 4.460 -0.001 0.000 0.323 478 C C -0.879 174.011 174.990 -0.167 0.000 1.260 478 C CA -0.803 58.135 59.018 -0.134 0.000 1.464 478 C CB 0.438 28.128 27.740 -0.083 0.000 2.156 478 C HN 0.793 nan 8.230 nan 0.000 0.476 479 D N 2.223 122.539 120.400 -0.140 0.000 2.492 479 D HA 0.473 5.112 4.640 -0.001 0.000 0.248 479 D C -0.246 175.945 176.300 -0.181 0.000 1.101 479 D CA 0.132 54.034 54.000 -0.163 0.000 0.840 479 D CB 2.116 42.829 40.800 -0.145 0.000 1.209 479 D HN 0.699 nan 8.370 nan 0.000 0.524 480 A N 3.162 125.883 122.820 -0.164 0.000 2.450 480 A HA 0.345 4.665 4.320 -0.001 0.000 0.255 480 A C 0.176 177.618 177.584 -0.237 0.000 1.096 480 A CA 0.189 52.122 52.037 -0.174 0.000 0.778 480 A CB 0.363 19.272 19.000 -0.151 0.000 1.031 480 A HN 0.413 nan 8.150 nan 0.000 0.494 481 K N 2.046 122.246 120.400 -0.333 0.000 2.501 481 K HA 0.390 4.709 4.320 -0.001 0.000 0.252 481 K C -0.674 175.853 176.600 -0.122 0.000 0.934 481 K CA -0.593 55.510 56.287 -0.307 0.000 0.797 481 K CB 2.223 34.448 32.500 -0.459 0.000 1.270 481 K HN 0.665 nan 8.250 nan 0.000 0.431 482 S N 0.992 116.707 115.700 0.025 0.000 2.573 482 S HA -0.020 4.449 4.470 -0.001 0.000 0.277 482 S C 0.430 175.214 174.600 0.306 0.000 1.346 482 S CA -0.200 58.108 58.200 0.181 0.000 1.034 482 S CB 0.962 64.231 63.200 0.116 0.000 0.879 482 S HN 0.603 nan 8.310 nan 0.000 0.528 483 S N 2.659 118.579 115.700 0.367 0.000 2.558 483 S HA 0.053 4.523 4.470 -0.001 0.000 0.291 483 S C -1.125 173.604 174.600 0.214 0.000 1.306 483 S CA -1.046 57.357 58.200 0.339 0.000 1.056 483 S CB 0.276 63.642 63.200 0.277 0.000 0.836 483 S HN 0.560 nan 8.310 nan 0.000 0.504 484 P HA 0.020 nan 4.420 nan 0.000 0.233 484 P C -0.351 176.856 177.300 -0.155 0.000 1.167 484 P CA 0.548 63.614 63.100 -0.057 0.000 0.770 484 P CB -0.079 31.516 31.700 -0.176 0.000 0.837 485 Y N 2.608 122.935 120.300 0.045 0.000 2.411 485 Y HA 0.207 4.757 4.550 -0.001 0.000 0.333 485 Y C -1.390 174.530 175.900 0.033 0.000 1.186 485 Y CA -2.357 55.759 58.100 0.028 0.000 1.381 485 Y CB -0.442 38.026 38.460 0.014 0.000 1.273 485 Y HN 0.022 nan 8.280 nan 0.000 0.546 486 P HA 0.070 nan 4.420 nan 0.000 0.276 486 P C -0.680 176.672 177.300 0.086 0.000 1.252 486 P CA -0.599 62.558 63.100 0.096 0.000 0.802 486 P CB 1.103 32.842 31.700 0.064 0.000 1.035 487 L N 1.421 122.681 121.223 0.061 0.000 2.615 487 L HA 0.165 4.505 4.340 -0.001 0.000 0.284 487 L C 1.431 178.302 176.870 0.002 0.000 1.237 487 L CA 2.341 57.202 54.840 0.035 0.000 0.905 487 L CB -1.175 40.902 42.059 0.030 0.000 1.149 487 L HN 0.870 nan 8.230 nan 0.000 0.499 488 G N 2.163 110.937 108.800 -0.043 0.000 2.176 488 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.253 488 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.253 488 G C 0.307 175.174 174.900 -0.056 0.000 0.979 488 G CA 0.385 45.437 45.100 -0.080 0.000 0.641 488 G HN 1.226 nan 8.290 nan 0.000 0.530 489 S N 0.274 115.964 115.700 -0.016 0.000 2.592 489 S HA 0.598 5.067 4.470 -0.001 0.000 0.271 489 S C -0.785 173.784 174.600 -0.053 0.000 1.326 489 S CA -0.504 57.692 58.200 -0.007 0.000 1.024 489 S CB 2.081 65.320 63.200 0.064 0.000 0.921 489 S HN -0.009 nan 8.310 nan 0.000 0.527 490 P HA -0.074 nan 4.420 nan 0.000 0.218 490 P C 0.773 178.003 177.300 -0.116 0.000 1.148 490 P CA 1.179 64.226 63.100 -0.088 0.000 0.822 490 P CB -0.006 31.640 31.700 -0.090 0.000 0.784 491 E N -1.787 118.298 120.200 -0.192 0.000 2.358 491 E HA -0.038 4.311 4.350 -0.001 0.000 0.195 491 E C 0.724 177.260 176.600 -0.107 0.000 1.010 491 E CA 0.649 56.882 56.400 -0.278 0.000 0.856 491 E CB -0.311 28.929 29.700 -0.766 0.000 0.795 491 E HN 0.101 nan 8.360 nan 0.000 0.504 492 N N -0.483 118.203 118.700 -0.023 0.000 2.635 492 N HA 0.064 4.803 4.740 -0.001 0.000 0.252 492 N C 0.165 175.698 175.510 0.038 0.000 1.589 492 N CA -0.015 53.068 53.050 0.056 0.000 0.828 492 N CB -0.039 38.524 38.487 0.126 0.000 1.403 492 N HN -0.072 nan 8.380 nan 0.000 0.518 493 M N 0.340 119.937 119.600 -0.004 0.000 2.089 493 M HA -0.073 4.407 4.480 -0.001 0.000 0.257 493 M C 0.195 176.340 176.300 -0.258 0.000 1.071 493 M CA 2.064 57.264 55.300 -0.166 0.000 1.096 493 M CB -0.325 32.115 32.600 -0.267 0.000 1.330 493 M HN 0.383 nan 8.290 nan 0.000 0.403 494 Y N -0.757 119.558 120.300 0.026 0.000 2.524 494 Y HA 0.438 4.988 4.550 -0.001 0.000 0.266 494 Y C 1.463 177.391 175.900 0.046 0.000 1.180 494 Y CA 0.091 58.210 58.100 0.031 0.000 1.244 494 Y CB -0.243 38.233 38.460 0.026 0.000 1.125 494 Y HN 0.463 nan 8.280 nan 0.000 0.524 495 G N 1.328 110.220 108.800 0.155 0.000 2.155 495 G HA2 -0.386 3.574 3.960 -0.001 0.000 0.257 495 G HA3 -0.386 3.574 3.960 -0.001 0.000 0.257 495 G C 0.962 175.956 174.900 0.157 0.000 0.983 495 G CA 0.750 45.931 45.100 0.134 0.000 0.676 495 G HN 0.567 nan 8.290 nan 0.000 0.528 496 N N 0.137 118.943 118.700 0.178 0.000 2.299 496 N HA 0.408 5.148 4.740 -0.001 0.000 0.187 496 N C 1.009 176.655 175.510 0.227 0.000 1.099 496 N CA 0.735 53.899 53.050 0.190 0.000 0.867 496 N CB 0.039 38.618 38.487 0.154 0.000 0.974 496 N HN 0.991 nan 8.380 nan 0.000 0.477 497 A N 0.946 123.877 122.820 0.185 0.000 2.477 497 A HA 0.474 4.794 4.320 -0.001 0.000 0.246 497 A C -0.407 177.347 177.584 0.284 0.000 1.078 497 A CA -0.351 51.774 52.037 0.147 0.000 0.770 497 A CB -0.406 18.667 19.000 0.121 0.000 1.011 497 A HN 0.474 nan 8.150 nan 0.000 0.494 498 F N 0.535 120.573 119.950 0.148 0.000 2.686 498 F HA 0.790 5.317 4.527 -0.001 0.000 0.311 498 F C -1.008 174.931 175.800 0.232 0.000 1.128 498 F CA -1.355 56.751 58.000 0.176 0.000 0.946 498 F CB 1.111 40.147 39.000 0.061 0.000 1.336 498 F HN 0.784 nan 8.300 nan 0.000 0.457 499 Y N -0.762 119.703 120.300 0.275 0.000 2.689 499 Y HA 0.760 5.309 4.550 -0.001 0.000 0.333 499 Y C -1.502 174.501 175.900 0.173 0.000 1.190 499 Y CA -1.708 56.467 58.100 0.124 0.000 1.063 499 Y CB 1.057 39.545 38.460 0.048 0.000 1.294 499 Y HN 0.805 nan 8.280 nan 0.000 0.466 500 S N 0.845 116.614 115.700 0.116 0.000 2.438 500 S HA 0.285 4.755 4.470 -0.001 0.000 0.316 500 S C -1.000 173.625 174.600 0.042 0.000 1.084 500 S CA -0.581 57.611 58.200 -0.013 0.000 1.107 500 S CB 0.272 63.502 63.200 0.049 0.000 0.981 500 S HN 0.710 nan 8.310 nan 0.000 0.466 501 E N 4.035 124.173 120.200 -0.105 0.000 2.152 501 E HA 0.197 4.547 4.350 -0.001 0.000 0.285 501 E C -0.518 176.086 176.600 0.006 0.000 1.043 501 E CA -0.370 56.059 56.400 0.048 0.000 0.839 501 E CB 0.510 30.212 29.700 0.004 0.000 1.069 501 E HN 0.509 nan 8.360 nan 0.000 0.399 502 K N 3.514 123.926 120.400 0.020 0.000 2.234 502 K HA 0.219 4.538 4.320 -0.001 0.000 0.277 502 K C -1.191 175.404 176.600 -0.009 0.000 1.038 502 K CA -0.368 55.899 56.287 -0.033 0.000 0.888 502 K CB 1.150 33.600 32.500 -0.084 0.000 1.091 502 K HN 0.352 nan 8.250 nan 0.000 0.467 503 T N 3.429 117.974 114.554 -0.013 0.000 2.853 503 T HA 0.142 4.491 4.350 -0.001 0.000 0.317 503 T C -0.500 174.177 174.700 -0.037 0.000 1.059 503 T CA -0.444 61.680 62.100 0.039 0.000 0.954 503 T CB 1.038 69.981 68.868 0.126 0.000 0.994 503 T HN 0.478 nan 8.240 nan 0.000 0.479 504 T N 4.458 119.028 114.554 0.027 0.000 2.851 504 T HA 0.300 4.650 4.350 -0.001 0.000 0.298 504 T C 0.075 174.876 174.700 0.169 0.000 0.977 504 T CA -0.254 61.881 62.100 0.057 0.000 1.126 504 T CB -0.083 68.909 68.868 0.208 0.000 0.916 504 T HN 0.255 nan 8.240 nan 0.000 0.529 505 F N 3.069 123.148 119.950 0.216 0.000 2.472 505 F HA 0.310 4.836 4.527 -0.001 0.000 0.364 505 F C 1.494 177.367 175.800 0.121 0.000 1.090 505 F CA -1.113 56.980 58.000 0.156 0.000 1.188 505 F CB 0.481 39.575 39.000 0.158 0.000 1.105 505 F HN 0.550 nan 8.300 nan 0.000 0.536 506 K N 0.686 121.256 120.400 0.284 0.000 2.168 506 K HA 0.062 4.381 4.320 -0.001 0.000 0.201 506 K C 0.717 177.400 176.600 0.139 0.000 1.049 506 K CA 0.966 57.359 56.287 0.177 0.000 0.974 506 K CB 0.257 32.840 32.500 0.137 0.000 0.792 506 K HN 0.723 nan 8.250 nan 0.000 0.463 507 T N -2.940 111.687 114.554 0.122 0.000 2.907 507 T HA 0.239 4.589 4.350 -0.001 0.000 0.290 507 T C 1.312 176.036 174.700 0.040 0.000 1.066 507 T CA -0.911 61.233 62.100 0.074 0.000 1.012 507 T CB 1.763 70.661 68.868 0.050 0.000 1.184 507 T HN -0.229 nan 8.240 nan 0.000 0.522 508 V N 1.309 121.234 119.914 0.019 0.000 2.278 508 V HA -0.218 3.902 4.120 -0.001 0.000 0.251 508 V C 2.857 178.892 176.094 -0.098 0.000 1.062 508 V CA 2.499 64.783 62.300 -0.025 0.000 1.038 508 V CB -0.912 30.909 31.823 -0.003 0.000 0.646 508 V HN 1.044 nan 8.190 nan 0.000 0.447 509 K N -0.246 120.112 120.400 -0.071 0.000 2.103 509 K HA -0.253 4.066 4.320 -0.001 0.000 0.207 509 K C 1.785 178.297 176.600 -0.146 0.000 1.048 509 K CA 1.910 58.136 56.287 -0.101 0.000 0.930 509 K CB -0.261 32.210 32.500 -0.048 0.000 0.716 509 K HN 0.501 nan 8.250 nan 0.000 0.444 510 D N -0.015 120.319 120.400 -0.110 0.000 2.218 510 D HA -0.127 4.513 4.640 -0.001 0.000 0.204 510 D C 1.882 177.876 176.300 -0.509 0.000 0.976 510 D CA 1.518 55.451 54.000 -0.111 0.000 0.853 510 D CB -0.068 40.790 40.800 0.097 0.000 0.939 510 D HN 0.365 nan 8.370 nan 0.000 0.481 511 S N -0.139 115.110 115.700 -0.751 0.000 2.489 511 S HA -0.013 4.457 4.470 -0.001 0.000 0.228 511 S C 1.180 175.323 174.600 -0.761 0.000 0.995 511 S CA -0.124 57.224 58.200 -1.420 0.000 0.934 511 S CB -0.378 62.349 63.200 -0.788 0.000 0.771 511 S HN 0.149 nan 8.310 nan 0.000 0.522 512 L N 3.750 124.673 121.223 -0.499 0.000 2.462 512 L HA 0.322 4.661 4.340 -0.001 0.000 0.283 512 L C 0.119 176.839 176.870 -0.251 0.000 1.166 512 L CA -0.249 54.274 54.840 -0.528 0.000 0.964 512 L CB -0.575 40.996 42.059 -0.813 0.000 1.294 512 L HN 0.356 nan 8.230 nan 0.000 0.449 513 T N -1.213 113.356 114.554 0.027 0.000 2.903 513 T HA 0.529 4.879 4.350 -0.001 0.000 0.299 513 T C -0.402 174.587 174.700 0.482 0.000 1.093 513 T CA -1.082 61.206 62.100 0.313 0.000 1.002 513 T CB 2.373 71.536 68.868 0.491 0.000 1.127 513 T HN 0.173 nan 8.240 nan 0.000 0.488 514 N N 0.231 119.219 118.700 0.479 0.000 2.404 514 N HA 0.362 5.101 4.740 -0.001 0.000 0.297 514 N C -1.151 174.729 175.510 0.617 0.000 1.163 514 N CA -0.673 52.673 53.050 0.492 0.000 0.864 514 N CB 1.273 39.937 38.487 0.295 0.000 1.247 514 N HN 0.766 nan 8.380 nan 0.000 0.510 515 Y N 1.014 121.675 120.300 0.603 0.000 2.597 515 Y HA -0.000 4.549 4.550 -0.001 0.000 0.336 515 Y C -0.189 175.844 175.900 0.222 0.000 1.216 515 Y CA 0.650 59.038 58.100 0.482 0.000 1.463 515 Y CB 0.512 39.272 38.460 0.501 0.000 1.303 515 Y HN 0.306 nan 8.280 nan 0.000 0.576 516 E N 3.557 123.215 120.200 -0.904 0.000 2.255 516 E HA 0.131 4.481 4.350 -0.001 0.000 0.256 516 E C 0.383 176.476 176.600 -0.845 0.000 0.887 516 E CA 0.022 56.048 56.400 -0.622 0.000 0.782 516 E CB 1.600 31.122 29.700 -0.297 0.000 1.214 516 E HN 0.794 nan 8.360 nan 0.000 0.417 517 S N 1.544 116.928 115.700 -0.526 0.000 2.399 517 S HA -0.168 4.301 4.470 -0.001 0.000 0.231 517 S C 1.846 176.348 174.600 -0.164 0.000 1.022 517 S CA 0.980 59.041 58.200 -0.232 0.000 0.983 517 S CB -0.077 63.125 63.200 0.003 0.000 0.803 517 S HN 0.481 nan 8.310 nan 0.000 0.480 518 A N 1.854 124.579 122.820 -0.159 0.000 2.019 518 A HA -0.007 4.313 4.320 -0.001 0.000 0.219 518 A C 2.294 179.799 177.584 -0.132 0.000 1.164 518 A CA 1.782 53.751 52.037 -0.113 0.000 0.644 518 A CB -0.941 18.005 19.000 -0.090 0.000 0.805 518 A HN 0.777 nan 8.150 nan 0.000 0.449 519 T N -5.374 109.074 114.554 -0.177 0.000 3.091 519 T HA 0.431 4.781 4.350 -0.001 0.000 0.277 519 T C 1.076 175.675 174.700 -0.169 0.000 0.996 519 T CA 0.879 62.875 62.100 -0.173 0.000 0.897 519 T CB -0.032 68.730 68.868 -0.178 0.000 1.109 519 T HN 1.620 nan 8.240 nan 0.000 0.534 520 G N 2.819 111.522 108.800 -0.161 0.000 2.395 520 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.300 520 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.300 520 G C 0.009 174.886 174.900 -0.038 0.000 0.998 520 G CA 0.312 45.387 45.100 -0.042 0.000 1.046 520 G HN 0.934 nan 8.290 nan 0.000 0.513 521 R N 0.029 120.402 120.500 -0.211 0.000 2.585 521 R HA 0.388 4.727 4.340 -0.001 0.000 0.275 521 R C 0.859 177.015 176.300 -0.240 0.000 1.018 521 R CA 0.763 56.676 56.100 -0.312 0.000 1.072 521 R CB 0.278 30.263 30.300 -0.525 0.000 0.953 521 R HN 0.612 nan 8.270 nan 0.000 0.419 522 S N 3.706 119.207 115.700 -0.331 0.000 2.709 522 S HA 0.606 5.076 4.470 -0.001 0.000 0.302 522 S C -1.104 173.332 174.600 -0.273 0.000 1.127 522 S CA -1.023 57.080 58.200 -0.162 0.000 0.905 522 S CB 1.401 64.621 63.200 0.034 0.000 1.151 522 S HN 0.636 nan 8.310 nan 0.000 0.510 523 W N 0.416 121.823 121.300 0.178 0.000 2.844 523 W HA 0.439 5.099 4.660 -0.001 0.000 0.340 523 W C -1.355 175.256 176.519 0.153 0.000 1.093 523 W CA -0.469 57.013 57.345 0.227 0.000 1.212 523 W CB 2.107 31.831 29.460 0.440 0.000 1.422 523 W HN 0.614 nan 8.180 nan 0.000 0.515 524 D N 1.930 122.555 120.400 0.374 0.000 2.185 524 D HA 0.526 5.166 4.640 -0.001 0.000 0.247 524 D C -0.458 176.070 176.300 0.380 0.000 1.027 524 D CA -0.373 53.815 54.000 0.315 0.000 0.861 524 D CB 2.183 43.142 40.800 0.266 0.000 1.202 524 D HN 0.083 nan 8.370 nan 0.000 0.453 525 I N 2.805 123.548 120.570 0.288 0.000 2.362 525 I HA 0.439 4.608 4.170 -0.001 0.000 0.289 525 I C -0.556 175.754 176.117 0.323 0.000 0.994 525 I CA -0.928 60.512 61.300 0.233 0.000 1.158 525 I CB 0.547 38.598 38.000 0.085 0.000 1.315 525 I HN 0.227 nan 8.210 nan 0.000 0.451 526 F N 3.803 123.832 119.950 0.131 0.000 2.650 526 F HA 0.591 5.118 4.527 -0.001 0.000 0.320 526 F C -0.895 174.964 175.800 0.097 0.000 1.091 526 F CA -1.116 56.955 58.000 0.118 0.000 0.962 526 F CB 1.265 40.316 39.000 0.085 0.000 1.363 526 F HN 0.223 nan 8.300 nan 0.000 0.482 527 N N 2.463 121.324 118.700 0.269 0.000 2.558 527 N HA 0.381 5.120 4.740 -0.001 0.000 0.242 527 N C -2.174 173.465 175.510 0.215 0.000 0.979 527 N CA -2.655 50.468 53.050 0.122 0.000 0.931 527 N CB 1.566 40.106 38.487 0.090 0.000 1.122 527 N HN 0.414 nan 8.380 nan 0.000 0.508 528 P HA 0.022 nan 4.420 nan 0.000 0.237 528 P C 0.214 177.587 177.300 0.121 0.000 1.178 528 P CA 0.583 63.835 63.100 0.254 0.000 0.766 528 P CB 0.488 32.322 31.700 0.224 0.000 0.876 529 N N -0.008 118.735 118.700 0.072 0.000 2.467 529 N HA 0.036 4.776 4.740 -0.001 0.000 0.184 529 N C 0.587 176.110 175.510 0.022 0.000 1.106 529 N CA 0.646 53.718 53.050 0.037 0.000 0.892 529 N CB 0.431 38.928 38.487 0.018 0.000 0.969 529 N HN 0.360 nan 8.380 nan 0.000 0.454 530 K N 0.032 120.449 120.400 0.028 0.000 2.433 530 K HA 0.582 4.902 4.320 -0.001 0.000 0.252 530 K C -1.327 175.271 176.600 -0.003 0.000 1.015 530 K CA -0.686 55.599 56.287 -0.005 0.000 0.860 530 K CB 3.293 35.772 32.500 -0.035 0.000 1.359 530 K HN -0.297 nan 8.250 nan 0.000 0.452 531 V N 1.333 121.229 119.914 -0.030 0.000 2.851 531 V HA 0.228 4.348 4.120 -0.001 0.000 0.307 531 V C -1.379 174.686 176.094 -0.049 0.000 1.129 531 V CA -0.875 61.406 62.300 -0.031 0.000 0.932 531 V CB 2.026 33.835 31.823 -0.022 0.000 1.024 531 V HN 0.785 nan 8.190 nan 0.000 0.426 532 N N 7.784 126.462 118.700 -0.036 0.000 2.452 532 N HA 0.225 4.965 4.740 -0.001 0.000 0.266 532 N C -1.680 173.821 175.510 -0.015 0.000 1.175 532 N CA -1.068 51.962 53.050 -0.033 0.000 0.945 532 N CB 2.000 40.518 38.487 0.053 0.000 1.063 532 N HN 0.495 nan 8.380 nan 0.000 0.472 533 P HA -0.078 nan 4.420 nan 0.000 0.229 533 P C 0.541 177.936 177.300 0.158 0.000 1.160 533 P CA 0.968 64.063 63.100 -0.009 0.000 0.777 533 P CB 0.198 31.845 31.700 -0.088 0.000 0.814 534 Y N 1.323 121.630 120.300 0.010 0.000 2.205 534 Y HA -0.024 4.526 4.550 -0.001 0.000 0.292 534 Y C 2.868 178.783 175.900 0.025 0.000 1.119 534 Y CA 1.054 59.162 58.100 0.014 0.000 1.117 534 Y CB -1.387 37.083 38.460 0.017 0.000 1.037 534 Y HN 0.059 nan 8.280 nan 0.000 0.510 535 S N -1.184 114.658 115.700 0.236 0.000 2.470 535 S HA 0.205 4.675 4.470 -0.001 0.000 0.225 535 S C 1.877 176.514 174.600 0.061 0.000 1.006 535 S CA 0.668 58.970 58.200 0.170 0.000 0.934 535 S CB -0.258 63.139 63.200 0.328 0.000 0.778 535 S HN 0.640 nan 8.310 nan 0.000 0.517 536 G N 1.069 109.893 108.800 0.040 0.000 2.159 536 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.256 536 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.256 536 G C -0.028 174.825 174.900 -0.078 0.000 0.977 536 G CA 0.383 45.474 45.100 -0.015 0.000 0.652 536 G HN 0.518 nan 8.290 nan 0.000 0.531 537 K N 0.835 121.148 120.400 -0.144 0.000 2.123 537 K HA 0.545 4.865 4.320 -0.001 0.000 0.248 537 K C -2.408 174.090 176.600 -0.170 0.000 0.969 537 K CA -2.175 53.941 56.287 -0.284 0.000 0.882 537 K CB 1.802 33.857 32.500 -0.742 0.000 1.080 537 K HN 0.119 nan 8.250 nan 0.000 0.441 538 P HA 0.152 nan 4.420 nan 0.000 0.275 538 P C -2.528 174.805 177.300 0.055 0.000 1.228 538 P CA -1.434 61.661 63.100 -0.008 0.000 0.786 538 P CB -0.274 31.480 31.700 0.090 0.000 0.927 539 P HA 0.045 nan 4.420 nan 0.000 0.271 539 P C -0.269 177.212 177.300 0.300 0.000 1.216 539 P CA 0.431 63.605 63.100 0.123 0.000 0.771 539 P CB 0.457 32.099 31.700 -0.095 0.000 0.864 540 S N 2.276 118.190 115.700 0.356 0.000 2.618 540 S HA 0.585 5.054 4.470 -0.001 0.000 0.277 540 S C -1.541 173.225 174.600 0.277 0.000 1.138 540 S CA -0.735 57.680 58.200 0.357 0.000 0.844 540 S CB 1.131 64.502 63.200 0.284 0.000 1.127 540 S HN 0.320 nan 8.310 nan 0.000 0.474 541 Y N 0.773 121.127 120.300 0.089 0.000 2.377 541 Y HA 0.578 5.127 4.550 -0.001 0.000 0.339 541 Y C 0.260 176.202 175.900 0.071 0.000 1.011 541 Y CA -0.550 57.560 58.100 0.016 0.000 1.093 541 Y CB 1.883 40.321 38.460 -0.037 0.000 1.201 541 Y HN 0.788 nan 8.280 nan 0.000 0.455 542 K N 4.258 124.713 120.400 0.092 0.000 2.206 542 K HA 0.420 4.740 4.320 -0.001 0.000 0.264 542 K C -1.597 175.062 176.600 0.100 0.000 0.967 542 K CA -0.940 55.412 56.287 0.109 0.000 0.844 542 K CB 1.044 33.587 32.500 0.072 0.000 1.099 542 K HN 0.612 nan 8.250 nan 0.000 0.441 543 L N 5.580 126.877 121.223 0.122 0.000 2.315 543 L HA 0.261 4.600 4.340 -0.001 0.000 0.283 543 L C -1.350 175.618 176.870 0.164 0.000 1.089 543 L CA -0.005 54.882 54.840 0.079 0.000 0.833 543 L CB 1.158 43.219 42.059 0.004 0.000 1.170 543 L HN 0.373 nan 8.230 nan 0.000 0.442 544 V N 5.050 125.009 119.914 0.076 0.000 2.313 544 V HA 0.576 4.695 4.120 -0.001 0.000 0.278 544 V C -0.085 176.032 176.094 0.038 0.000 1.017 544 V CA -0.227 62.121 62.300 0.079 0.000 0.823 544 V CB 0.957 32.803 31.823 0.039 0.000 1.010 544 V HN 0.848 nan 8.190 nan 0.000 0.443 545 S N 2.839 118.589 115.700 0.084 0.000 2.706 545 S HA 0.400 4.870 4.470 -0.001 0.000 0.270 545 S C 0.540 175.085 174.600 -0.092 0.000 1.163 545 S CA 0.197 58.430 58.200 0.055 0.000 1.042 545 S CB 1.672 64.966 63.200 0.157 0.000 1.079 545 S HN 0.922 nan 8.310 nan 0.000 0.474 546 T N 1.437 115.864 114.554 -0.212 0.000 2.971 546 T HA 0.267 4.617 4.350 -0.001 0.000 0.252 546 T C 0.461 175.023 174.700 -0.230 0.000 1.022 546 T CA -0.004 61.776 62.100 -0.533 0.000 0.980 546 T CB -0.150 68.506 68.868 -0.354 0.000 1.044 546 T HN 0.582 nan 8.240 nan 0.000 0.501 547 Q N 1.061 120.848 119.800 -0.022 0.000 3.026 547 Q HA 0.330 4.669 4.340 -0.001 0.000 0.258 547 Q C -0.918 175.190 176.000 0.180 0.000 1.388 547 Q CA -0.444 55.416 55.803 0.094 0.000 1.000 547 Q CB -0.443 28.374 28.738 0.131 0.000 1.634 547 Q HN 0.454 nan 8.270 nan 0.000 0.571 548 C N 2.952 122.347 119.300 0.160 0.000 3.188 548 C HA 0.351 4.811 4.460 -0.001 0.000 0.230 548 C C -2.132 172.990 174.990 0.220 0.000 1.239 548 C CA -1.831 57.325 59.018 0.231 0.000 1.494 548 C CB -0.398 27.549 27.740 0.345 0.000 1.798 548 C HN 0.553 nan 8.230 nan 0.000 0.458 549 P HA 0.278 nan 4.420 nan 0.000 0.274 549 P C -2.246 175.112 177.300 0.098 0.000 1.231 549 P CA -0.791 62.381 63.100 0.121 0.000 0.790 549 P CB 0.068 31.811 31.700 0.073 0.000 0.951 550 P HA 0.090 nan 4.420 nan 0.000 0.272 550 P C -0.652 176.640 177.300 -0.014 0.000 1.223 550 P CA -0.338 62.785 63.100 0.037 0.000 0.784 550 P CB 0.517 32.242 31.700 0.041 0.000 0.923 551 L N 3.027 124.210 121.223 -0.067 0.000 2.369 551 L HA 0.064 4.404 4.340 -0.001 0.000 0.279 551 L C 1.158 177.974 176.870 -0.089 0.000 1.108 551 L CA 0.337 55.109 54.840 -0.112 0.000 0.852 551 L CB -0.409 41.540 42.059 -0.183 0.000 1.169 551 L HN 0.322 nan 8.230 nan 0.000 0.452 552 L N 4.813 125.992 121.223 -0.074 0.000 2.240 552 L HA 0.159 4.498 4.340 -0.001 0.000 0.211 552 L C 1.395 178.225 176.870 -0.066 0.000 1.106 552 L CA 0.423 55.238 54.840 -0.043 0.000 0.793 552 L CB -0.477 41.577 42.059 -0.008 0.000 0.927 552 L HN 0.823 nan 8.230 nan 0.000 0.446 553 A N 0.820 123.577 122.820 -0.105 0.000 2.498 553 A HA 0.136 4.456 4.320 -0.001 0.000 0.239 553 A C 0.268 177.776 177.584 -0.126 0.000 1.068 553 A CA 0.005 51.966 52.037 -0.127 0.000 0.766 553 A CB 0.065 18.963 19.000 -0.170 0.000 1.003 553 A HN 0.167 nan 8.150 nan 0.000 0.497 554 K N 1.210 121.540 120.400 -0.116 0.000 2.138 554 K HA 0.177 4.496 4.320 -0.001 0.000 0.251 554 K C -0.058 176.469 176.600 -0.122 0.000 1.015 554 K CA -0.161 56.064 56.287 -0.103 0.000 0.917 554 K CB 0.499 32.950 32.500 -0.083 0.000 1.021 554 K HN 0.787 nan 8.250 nan 0.000 0.485 555 E N -0.009 120.126 120.200 -0.108 0.000 2.452 555 E HA -0.039 4.311 4.350 -0.001 0.000 0.261 555 E C 0.808 177.339 176.600 -0.114 0.000 0.987 555 E CA 0.765 57.097 56.400 -0.113 0.000 0.926 555 E CB 0.205 29.853 29.700 -0.087 0.000 0.934 555 E HN 0.832 nan 8.360 nan 0.000 0.452 556 G N 2.596 111.316 108.800 -0.133 0.000 2.179 556 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.260 556 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.260 556 G C 0.410 175.216 174.900 -0.156 0.000 0.977 556 G CA 0.391 45.409 45.100 -0.136 0.000 0.641 556 G HN 0.714 nan 8.290 nan 0.000 0.533 557 S N -0.163 115.436 115.700 -0.169 0.000 2.589 557 S HA 0.531 5.000 4.470 -0.001 0.000 0.265 557 S C 1.555 176.007 174.600 -0.246 0.000 1.342 557 S CA 0.122 58.209 58.200 -0.189 0.000 1.005 557 S CB 1.503 64.588 63.200 -0.192 0.000 0.909 557 S HN 0.978 nan 8.310 nan 0.000 0.555 558 L N 2.541 123.608 121.223 -0.260 0.000 2.013 558 L HA -0.073 4.267 4.340 -0.001 0.000 0.212 558 L C 2.457 179.064 176.870 -0.438 0.000 1.073 558 L CA 1.671 56.314 54.840 -0.328 0.000 0.753 558 L CB -1.228 40.669 42.059 -0.269 0.000 0.890 558 L HN 0.744 nan 8.230 nan 0.000 0.432 559 V N -0.112 119.512 119.914 -0.483 0.000 2.255 559 V HA -0.318 3.802 4.120 -0.001 0.000 0.247 559 V C 2.753 178.633 176.094 -0.356 0.000 1.051 559 V CA 1.815 63.849 62.300 -0.444 0.000 1.018 559 V CB -1.382 30.230 31.823 -0.353 0.000 0.641 559 V HN 0.605 nan 8.190 nan 0.000 0.445 560 A N -0.634 121.995 122.820 -0.317 0.000 1.969 560 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 560 A C 2.272 179.669 177.584 -0.311 0.000 1.169 560 A CA 1.732 53.587 52.037 -0.303 0.000 0.635 560 A CB -0.357 18.497 19.000 -0.243 0.000 0.810 560 A HN 0.568 nan 8.150 nan 0.000 0.445 561 K N -0.635 119.564 120.400 -0.336 0.000 2.062 561 K HA -0.012 4.307 4.320 -0.001 0.000 0.205 561 K C 2.128 178.424 176.600 -0.507 0.000 1.051 561 K CA 1.133 57.184 56.287 -0.393 0.000 0.941 561 K CB -0.106 32.129 32.500 -0.442 0.000 0.719 561 K HN 0.343 nan 8.250 nan 0.000 0.440 562 R N 0.041 120.252 120.500 -0.482 0.000 2.236 562 R HA 0.080 4.420 4.340 -0.001 0.000 0.208 562 R C 0.429 176.680 176.300 -0.082 0.000 1.036 562 R CA 0.639 56.510 56.100 -0.382 0.000 1.001 562 R CB 0.361 30.542 30.300 -0.199 0.000 0.896 562 R HN 0.003 nan 8.270 nan 0.000 0.464 563 A N 1.350 124.007 122.820 -0.272 0.000 3.204 563 A HA 0.300 4.619 4.320 -0.001 0.000 0.327 563 A C -2.037 175.116 177.584 -0.719 0.000 0.998 563 A CA -1.265 50.428 52.037 -0.573 0.000 0.891 563 A CB 0.544 19.035 19.000 -0.848 0.000 1.061 563 A HN -0.077 nan 8.150 nan 0.000 0.478 564 P HA -0.182 nan 4.420 nan 0.000 0.219 564 P C 1.470 178.669 177.300 -0.167 0.000 1.146 564 P CA 1.192 64.171 63.100 -0.202 0.000 0.808 564 P CB -0.232 31.433 31.700 -0.060 0.000 0.779 565 W N 0.106 121.359 121.300 -0.078 0.000 2.425 565 W HA 0.204 4.864 4.660 -0.000 0.000 0.277 565 W C 1.527 178.043 176.519 -0.006 0.000 1.231 565 W CA 0.661 57.974 57.345 -0.053 0.000 1.248 565 W CB -1.741 27.671 29.460 -0.080 0.000 1.117 565 W HN -0.086 nan 8.180 nan 0.000 0.568 566 A N 1.585 123.991 122.820 -0.691 0.000 2.167 566 A HA -0.078 4.241 4.320 -0.001 0.000 0.214 566 A C 2.132 179.544 177.584 -0.286 0.000 1.151 566 A CA 1.524 53.197 52.037 -0.606 0.000 0.735 566 A CB -0.856 17.473 19.000 -1.119 0.000 0.802 566 A HN 0.319 nan 8.150 nan 0.000 0.467 567 S N -0.912 114.629 115.700 -0.265 0.000 2.522 567 S HA 0.044 4.513 4.470 -0.001 0.000 0.227 567 S C 0.387 174.717 174.600 -0.449 0.000 0.986 567 S CA 0.214 58.219 58.200 -0.326 0.000 0.929 567 S CB -0.366 62.619 63.200 -0.359 0.000 0.769 567 S HN 0.671 nan 8.310 nan 0.000 0.529 568 H N -0.324 118.746 119.070 0.000 0.000 2.690 568 H HA 0.539 5.094 4.556 -0.001 0.000 0.368 568 H C 0.549 175.929 175.328 0.087 0.000 1.150 568 H CA -0.431 55.648 56.048 0.052 0.000 1.174 568 H CB 1.859 31.639 29.762 0.029 0.000 1.684 568 H HN -0.045 nan 8.280 nan 0.000 0.538 569 S N 0.667 116.522 115.700 0.258 0.000 2.402 569 S HA 0.014 4.483 4.470 -0.001 0.000 0.229 569 S C 0.460 175.113 174.600 0.089 0.000 1.021 569 S CA 0.601 58.923 58.200 0.203 0.000 0.974 569 S CB 0.308 63.724 63.200 0.360 0.000 0.800 569 S HN 0.248 nan 8.310 nan 0.000 0.484 570 V N 2.459 122.369 119.914 -0.006 0.000 2.709 570 V HA 0.431 4.550 4.120 -0.001 0.000 0.308 570 V C -1.122 174.854 176.094 -0.196 0.000 1.062 570 V CA -0.962 61.174 62.300 -0.274 0.000 0.901 570 V CB 2.109 33.510 31.823 -0.703 0.000 1.003 570 V HN 0.253 nan 8.190 nan 0.000 0.425 571 N N 3.008 121.582 118.700 -0.210 0.000 2.430 571 N HA 0.557 5.297 4.740 -0.001 0.000 0.290 571 N C -1.493 173.949 175.510 -0.114 0.000 1.063 571 N CA -0.310 52.669 53.050 -0.119 0.000 0.883 571 N CB 2.730 41.241 38.487 0.039 0.000 1.465 571 N HN 0.335 nan 8.380 nan 0.000 0.493 572 V N 2.052 121.892 119.914 -0.123 0.000 2.409 572 V HA 0.517 4.637 4.120 -0.001 0.000 0.291 572 V C 0.234 176.375 176.094 0.078 0.000 1.020 572 V CA -0.774 61.532 62.300 0.009 0.000 0.848 572 V CB 1.603 33.463 31.823 0.062 0.000 0.990 572 V HN 0.482 nan 8.190 nan 0.000 0.430 573 V N 3.254 123.258 119.914 0.150 0.000 3.074 573 V HA 0.792 4.911 4.120 -0.001 0.000 0.314 573 V C -2.894 173.257 176.094 0.095 0.000 1.117 573 V CA -3.064 59.309 62.300 0.121 0.000 1.014 573 V CB 2.155 34.075 31.823 0.161 0.000 1.057 573 V HN 0.614 nan 8.190 nan 0.000 0.438 574 P HA 0.142 nan 4.420 nan 0.000 0.269 574 P C -1.098 176.198 177.300 -0.008 0.000 1.209 574 P CA 0.227 63.354 63.100 0.046 0.000 0.776 574 P CB 0.015 31.730 31.700 0.026 0.000 0.876 575 Y N 3.211 123.478 120.300 -0.056 0.000 2.526 575 Y HA 0.189 4.738 4.550 -0.001 0.000 0.330 575 Y C 0.211 176.034 175.900 -0.127 0.000 1.156 575 Y CA 0.832 58.870 58.100 -0.104 0.000 1.419 575 Y CB 0.321 38.735 38.460 -0.077 0.000 1.250 575 Y HN 0.251 nan 8.280 nan 0.000 0.540 576 K N 3.867 123.660 120.400 -1.013 0.000 2.482 576 K HA 0.281 4.600 4.320 -0.001 0.000 0.257 576 K C -1.384 174.554 176.600 -1.104 0.000 0.969 576 K CA -0.835 54.991 56.287 -0.768 0.000 0.842 576 K CB 1.167 33.417 32.500 -0.417 0.000 1.359 576 K HN 0.566 nan 8.250 nan 0.000 0.441 577 D N 1.970 122.066 120.400 -0.505 0.000 2.400 577 D HA 0.020 4.660 4.640 -0.001 0.000 0.238 577 D C -0.077 176.023 176.300 -0.333 0.000 1.157 577 D CA 0.763 54.583 54.000 -0.300 0.000 0.889 577 D CB 0.341 41.104 40.800 -0.061 0.000 1.199 577 D HN 0.530 nan 8.370 nan 0.000 0.436 578 N N 1.137 119.668 118.700 -0.281 0.000 2.747 578 N HA -0.234 4.506 4.740 -0.001 0.000 0.249 578 N C -0.526 174.785 175.510 -0.331 0.000 1.107 578 N CA 0.501 53.390 53.050 -0.269 0.000 0.707 578 N CB -0.922 37.451 38.487 -0.189 0.000 1.054 578 N HN 0.449 nan 8.380 nan 0.000 0.555 579 R N 0.722 120.908 120.500 -0.523 0.000 3.256 579 R HA 0.346 4.686 4.340 -0.001 0.000 0.263 579 R C 1.238 177.197 176.300 -0.569 0.000 1.388 579 R CA -0.219 55.403 56.100 -0.795 0.000 1.580 579 R CB 0.373 29.823 30.300 -1.417 0.000 1.255 579 R HN 0.204 nan 8.270 nan 0.000 0.640 580 L N 0.267 121.267 121.223 -0.373 0.000 2.349 580 L HA 0.193 4.532 4.340 -0.001 0.000 0.200 580 L C -0.129 176.617 176.870 -0.206 0.000 1.064 580 L CA 0.627 55.152 54.840 -0.524 0.000 0.821 580 L CB 0.240 41.533 42.059 -1.278 0.000 1.027 580 L HN 0.320 nan 8.230 nan 0.000 0.476 581 Y N 0.701 121.177 120.300 0.294 0.000 2.402 581 Y HA 0.297 4.846 4.550 -0.001 0.000 0.332 581 Y C -1.707 174.201 175.900 0.014 0.000 0.960 581 Y CA -3.322 54.843 58.100 0.110 0.000 1.228 581 Y CB 0.213 38.646 38.460 -0.045 0.000 1.120 581 Y HN -0.069 nan 8.280 nan 0.000 0.491 582 P HA -0.015 nan 4.420 nan 0.000 0.233 582 P C 0.551 177.749 177.300 -0.169 0.000 1.167 582 P CA 0.776 63.622 63.100 -0.424 0.000 0.770 582 P CB 0.575 31.970 31.700 -0.509 0.000 0.837 583 S N -0.657 115.064 115.700 0.035 0.000 2.582 583 S HA 0.474 4.943 4.470 -0.001 0.000 0.234 583 S C 0.910 175.432 174.600 -0.131 0.000 0.961 583 S CA 0.330 58.630 58.200 0.167 0.000 0.953 583 S CB -0.276 63.160 63.200 0.394 0.000 0.800 583 S HN 0.492 nan 8.310 nan 0.000 0.471 584 G N 1.502 110.156 108.800 -0.243 0.000 2.712 584 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.683 584 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.683 584 G C -0.393 174.410 174.900 -0.161 0.000 1.320 584 G CA -0.365 44.545 45.100 -0.317 0.000 0.847 584 G HN 0.213 nan 8.290 nan 0.000 0.553 585 D N -0.086 120.196 120.400 -0.196 0.000 2.149 585 D HA 0.056 4.695 4.640 -0.001 0.000 0.201 585 D C 0.837 176.839 176.300 -0.497 0.000 0.972 585 D CA 1.419 55.248 54.000 -0.285 0.000 0.835 585 D CB -0.003 40.574 40.800 -0.372 0.000 0.966 585 D HN 0.477 nan 8.370 nan 0.000 0.476 586 H N 0.211 119.245 119.070 -0.060 0.000 2.792 586 H HA 0.259 4.814 4.556 -0.001 0.000 0.298 586 H C 0.841 176.148 175.328 -0.035 0.000 1.042 586 H CA -0.306 55.724 56.048 -0.031 0.000 1.300 586 H CB 1.700 31.455 29.762 -0.012 0.000 1.431 586 H HN -0.209 nan 8.280 nan 0.000 0.496 587 V N 3.995 123.951 119.914 0.070 0.000 2.426 587 V HA -0.000 4.119 4.120 -0.001 0.000 0.242 587 V C -1.644 174.547 176.094 0.162 0.000 1.036 587 V CA 0.446 62.809 62.300 0.105 0.000 1.044 587 V CB -0.868 30.985 31.823 0.049 0.000 0.688 587 V HN 0.455 nan 8.190 nan 0.000 0.462 588 P HA 0.048 nan 4.420 nan 0.000 0.262 588 P C 0.264 177.673 177.300 0.181 0.000 1.182 588 P CA 0.838 63.993 63.100 0.092 0.000 0.761 588 P CB 0.140 31.857 31.700 0.028 0.000 0.795 589 Q N -1.567 118.373 119.800 0.233 0.000 2.324 589 Q HA -0.231 4.108 4.340 -0.001 0.000 0.200 589 Q C -0.239 176.022 176.000 0.434 0.000 0.645 589 Q CA 0.517 56.524 55.803 0.340 0.000 1.377 589 Q CB -1.856 27.026 28.738 0.240 0.000 1.486 589 Q HN 0.525 nan 8.270 nan 0.000 0.796 590 W N 2.267 123.641 121.300 0.122 0.000 2.251 590 W HA 0.221 4.881 4.660 -0.000 0.000 0.327 590 W C 1.281 177.683 176.519 -0.195 0.000 1.361 590 W CA 0.315 57.665 57.345 0.009 0.000 1.234 590 W CB 0.494 29.948 29.460 -0.010 0.000 1.212 590 W HN 0.155 nan 8.180 nan 0.000 0.557 591 S N 3.595 118.858 115.700 -0.729 0.000 2.481 591 S HA 0.077 4.546 4.470 -0.001 0.000 0.231 591 S C 1.638 175.434 174.600 -1.341 0.000 0.996 591 S CA 0.839 58.181 58.200 -1.430 0.000 0.942 591 S CB -0.432 62.191 63.200 -0.962 0.000 0.768 591 S HN 1.703 nan 8.310 nan 0.000 0.520 592 G N 0.849 108.352 108.800 -2.162 0.000 2.175 592 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.244 592 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.244 592 G C -0.458 173.820 174.900 -1.037 0.000 0.982 592 G CA 0.112 43.943 45.100 -2.115 0.000 0.641 592 G HN 0.588 nan 8.290 nan 0.000 0.527 593 D N 1.157 121.193 120.400 -0.607 0.000 2.264 593 D HA 0.546 5.185 4.640 -0.001 0.000 0.250 593 D C 0.719 177.166 176.300 0.245 0.000 1.113 593 D CA 1.400 55.326 54.000 -0.124 0.000 0.871 593 D CB 1.360 42.098 40.800 -0.103 0.000 1.167 593 D HN 1.363 nan 8.370 nan 0.000 0.447 594 G N 0.220 109.147 108.800 0.211 0.000 2.375 594 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.663 594 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.663 594 G C -0.983 174.016 174.900 0.164 0.000 1.391 594 G CA -1.012 44.215 45.100 0.212 0.000 0.949 594 G HN 0.327 nan 8.290 nan 0.000 0.646 595 V N 2.294 122.240 119.914 0.053 0.000 2.299 595 V HA 0.610 4.730 4.120 -0.001 0.000 0.255 595 V C 0.810 176.855 176.094 -0.082 0.000 1.100 595 V CA 0.586 62.882 62.300 -0.007 0.000 0.938 595 V CB -0.398 31.420 31.823 -0.008 0.000 1.139 595 V HN 1.016 nan 8.190 nan 0.000 0.490 596 R N 2.726 123.127 120.500 -0.164 0.000 2.781 596 R HA 0.823 5.163 4.340 -0.001 0.000 0.269 596 R C 0.478 176.482 176.300 -0.493 0.000 1.025 596 R CA -0.118 55.787 56.100 -0.325 0.000 0.914 596 R CB 1.219 31.237 30.300 -0.469 0.000 1.236 596 R HN 0.752 nan 8.270 nan 0.000 0.465 597 G N 1.328 109.732 108.800 -0.660 0.000 2.594 597 G HA2 -0.443 3.517 3.960 -0.001 0.000 0.297 597 G HA3 -0.443 3.517 3.960 -0.001 0.000 0.297 597 G C 0.577 174.376 174.900 -1.835 0.000 1.273 597 G CA 0.913 45.328 45.100 -1.141 0.000 0.974 597 G HN 0.775 nan 8.290 nan 0.000 0.552 598 M N 0.521 119.291 119.600 -1.383 0.000 2.202 598 M HA -0.001 4.478 4.480 -0.001 0.000 0.262 598 M C 2.382 178.408 176.300 -0.456 0.000 1.063 598 M CA 2.748 57.510 55.300 -0.898 0.000 1.097 598 M CB -0.482 31.889 32.600 -0.382 0.000 1.382 598 M HN 0.611 nan 8.290 nan 0.000 0.413 599 R N -0.437 119.859 120.500 -0.340 0.000 2.092 599 R HA -0.172 4.168 4.340 -0.001 0.000 0.231 599 R C 2.230 178.437 176.300 -0.155 0.000 1.119 599 R CA 1.840 57.843 56.100 -0.162 0.000 0.970 599 R CB -0.347 29.913 30.300 -0.067 0.000 0.864 599 R HN 0.649 nan 8.270 nan 0.000 0.440 600 E N -0.411 119.633 120.200 -0.259 0.000 2.072 600 E HA -0.189 4.160 4.350 -0.001 0.000 0.191 600 E C 1.400 178.028 176.600 0.046 0.000 0.985 600 E CA 1.231 57.559 56.400 -0.119 0.000 0.801 600 E CB -0.067 29.558 29.700 -0.125 0.000 0.750 600 E HN 0.414 nan 8.360 nan 0.000 0.452 601 W N 0.574 121.826 121.300 -0.080 0.000 2.388 601 W HA -0.032 4.627 4.660 -0.001 0.000 0.294 601 W C 2.097 178.578 176.519 -0.063 0.000 1.212 601 W CA 0.209 57.503 57.345 -0.084 0.000 1.271 601 W CB -0.906 28.480 29.460 -0.124 0.000 1.126 601 W HN 0.159 nan 8.180 nan 0.000 0.535 602 I N 0.124 120.765 120.570 0.118 0.000 2.315 602 I HA -0.102 4.067 4.170 -0.001 0.000 0.248 602 I C 2.153 178.290 176.117 0.035 0.000 1.117 602 I CA 1.420 62.749 61.300 0.048 0.000 1.404 602 I CB -1.128 36.868 38.000 -0.008 0.000 1.071 602 I HN 0.086 nan 8.210 nan 0.000 0.419 603 G N 2.316 111.133 108.800 0.028 0.000 2.611 603 G HA2 -0.430 3.530 3.960 -0.001 0.000 0.301 603 G HA3 -0.430 3.530 3.960 -0.001 0.000 0.301 603 G C 0.508 175.414 174.900 0.009 0.000 1.233 603 G CA 0.712 45.825 45.100 0.022 0.000 0.993 603 G HN 0.536 nan 8.290 nan 0.000 0.553 604 D N 1.240 121.647 120.400 0.012 0.000 2.340 604 D HA 0.372 5.012 4.640 -0.001 0.000 0.220 604 D C 1.806 178.108 176.300 0.004 0.000 1.039 604 D CA 1.209 55.213 54.000 0.007 0.000 0.866 604 D CB -0.431 40.375 40.800 0.009 0.000 0.913 604 D HN 2.194 nan 8.370 nan 0.000 0.523 605 G N 0.202 109.004 108.800 0.004 0.000 2.179 605 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.260 605 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.260 605 G C 1.108 176.011 174.900 0.006 0.000 0.977 605 G CA 0.810 45.907 45.100 -0.005 0.000 0.641 605 G HN 0.704 nan 8.290 nan 0.000 0.533 606 S N -0.583 115.127 115.700 0.015 0.000 2.524 606 S HA 0.321 4.790 4.470 -0.001 0.000 0.216 606 S C 0.633 175.251 174.600 0.029 0.000 0.987 606 S CA 0.648 58.861 58.200 0.022 0.000 0.909 606 S CB 0.384 63.596 63.200 0.021 0.000 0.781 606 S HN 0.611 nan 8.310 nan 0.000 0.521 607 E N 2.413 122.631 120.200 0.031 0.000 2.392 607 E HA 0.173 4.522 4.350 -0.001 0.000 0.264 607 E C -0.284 176.343 176.600 0.046 0.000 1.024 607 E CA -0.398 56.024 56.400 0.037 0.000 0.903 607 E CB 0.276 29.999 29.700 0.038 0.000 0.963 607 E HN 0.391 nan 8.360 nan 0.000 0.432 608 N N 2.419 121.147 118.700 0.048 0.000 2.492 608 N HA -0.003 4.737 4.740 -0.001 0.000 0.262 608 N C 0.012 175.562 175.510 0.066 0.000 1.202 608 N CA 0.300 53.385 53.050 0.057 0.000 0.926 608 N CB 0.378 38.895 38.487 0.050 0.000 1.078 608 N HN 0.538 nan 8.380 nan 0.000 0.454 609 I N -1.786 118.835 120.570 0.085 0.000 4.160 609 I HA 0.422 4.591 4.170 -0.001 0.000 0.325 609 I C -0.384 175.788 176.117 0.091 0.000 1.455 609 I CA -0.531 60.828 61.300 0.098 0.000 1.142 609 I CB 0.302 38.380 38.000 0.130 0.000 1.262 609 I HN 0.245 nan 8.210 nan 0.000 0.483 610 D N 2.617 123.062 120.400 0.076 0.000 2.274 610 D HA 0.183 4.823 4.640 -0.001 0.000 0.239 610 D C 0.274 176.585 176.300 0.018 0.000 1.104 610 D CA 0.103 54.133 54.000 0.049 0.000 0.840 610 D CB 0.590 41.438 40.800 0.081 0.000 1.100 610 D HN 0.258 nan 8.370 nan 0.000 0.477 611 N N 2.464 121.145 118.700 -0.032 0.000 2.681 611 N HA -0.219 4.521 4.740 -0.001 0.000 0.259 611 N C -1.386 174.120 175.510 -0.007 0.000 1.066 611 N CA 1.237 54.269 53.050 -0.029 0.000 0.717 611 N CB -0.958 37.529 38.487 0.001 0.000 0.885 611 N HN 0.526 nan 8.380 nan 0.000 0.547 612 T N -0.753 113.797 114.554 -0.007 0.000 2.648 612 T HA 0.316 4.666 4.350 -0.001 0.000 0.304 612 T C -1.922 172.784 174.700 0.011 0.000 1.312 612 T CA -0.571 61.535 62.100 0.010 0.000 1.023 612 T CB 0.692 69.577 68.868 0.028 0.000 1.612 612 T HN 0.072 nan 8.240 nan 0.000 0.487 613 D N 2.403 122.817 120.400 0.025 0.000 2.316 613 D HA 0.474 5.113 4.640 -0.001 0.000 0.245 613 D C 0.176 176.539 176.300 0.104 0.000 1.171 613 D CA 0.030 54.047 54.000 0.027 0.000 0.856 613 D CB 0.473 41.269 40.800 -0.007 0.000 1.090 613 D HN 0.626 nan 8.370 nan 0.000 0.476 614 I N -1.763 118.871 120.570 0.107 0.000 3.067 614 I HA 0.612 4.781 4.170 -0.001 0.000 0.312 614 I C -1.108 175.116 176.117 0.178 0.000 1.073 614 I CA -1.184 60.204 61.300 0.147 0.000 1.016 614 I CB 1.883 39.969 38.000 0.143 0.000 1.227 614 I HN 0.012 nan 8.210 nan 0.000 0.456 615 L N 2.742 124.075 121.223 0.184 0.000 2.385 615 L HA 0.504 4.844 4.340 -0.001 0.000 0.273 615 L C -1.392 175.621 176.870 0.238 0.000 0.990 615 L CA -0.435 54.499 54.840 0.156 0.000 0.821 615 L CB 2.355 44.507 42.059 0.155 0.000 1.279 615 L HN 0.564 nan 8.230 nan 0.000 0.412 616 F N 3.279 123.206 119.950 -0.039 0.000 2.403 616 F HA 0.533 5.060 4.527 -0.001 0.000 0.355 616 F C -1.077 174.674 175.800 -0.081 0.000 1.119 616 F CA -0.447 57.573 58.000 0.032 0.000 1.007 616 F CB 0.750 39.757 39.000 0.011 0.000 1.194 616 F HN 0.171 nan 8.300 nan 0.000 0.443 617 F N 5.138 125.119 119.950 0.052 0.000 2.411 617 F HA 0.286 4.812 4.527 -0.001 0.000 0.352 617 F C -0.337 175.534 175.800 0.118 0.000 1.123 617 F CA -0.678 57.397 58.000 0.125 0.000 1.044 617 F CB 0.968 40.034 39.000 0.109 0.000 1.135 617 F HN 0.449 nan 8.300 nan 0.000 0.461 618 H N 1.638 120.875 119.070 0.277 0.000 2.481 618 H HA 0.447 5.002 4.556 -0.001 0.000 0.333 618 H C -0.888 174.663 175.328 0.371 0.000 1.066 618 H CA -0.620 55.567 56.048 0.232 0.000 1.209 618 H CB 1.303 31.217 29.762 0.253 0.000 1.445 618 H HN 0.498 nan 8.280 nan 0.000 0.488 619 T N 7.330 121.874 114.554 -0.017 0.000 2.767 619 T HA 0.428 4.777 4.350 -0.001 0.000 0.288 619 T C -0.846 173.776 174.700 -0.129 0.000 0.963 619 T CA -0.301 61.854 62.100 0.091 0.000 1.019 619 T CB -0.264 68.748 68.868 0.241 0.000 0.923 619 T HN 0.490 nan 8.240 nan 0.000 0.468 620 F N 0.237 120.118 119.950 -0.116 0.000 2.685 620 F HA 0.959 5.485 4.527 -0.001 0.000 0.315 620 F C 0.134 176.071 175.800 0.229 0.000 1.126 620 F CA -0.816 57.161 58.000 -0.039 0.000 0.950 620 F CB 1.096 40.031 39.000 -0.109 0.000 1.360 620 F HN 0.883 nan 8.300 nan 0.000 0.469 621 G N 0.335 109.260 108.800 0.207 0.000 2.356 621 G HA2 0.436 4.396 3.960 -0.001 0.000 0.266 621 G HA3 0.436 4.396 3.960 -0.001 0.000 0.266 621 G C -1.986 173.033 174.900 0.199 0.000 1.312 621 G CA -0.312 44.924 45.100 0.228 0.000 0.922 621 G HN 1.559 nan 8.290 nan 0.000 0.480 622 I N -3.012 117.666 120.570 0.179 0.000 3.095 622 I HA 0.864 5.033 4.170 -0.001 0.000 0.310 622 I C -0.692 175.453 176.117 0.047 0.000 1.196 622 I CA -1.058 60.308 61.300 0.110 0.000 0.985 622 I CB 2.282 40.332 38.000 0.085 0.000 1.250 622 I HN 0.479 nan 8.210 nan 0.000 0.446 623 T N 1.083 115.623 114.554 -0.022 0.000 2.779 623 T HA 0.343 4.693 4.350 -0.001 0.000 0.280 623 T C -1.041 173.500 174.700 -0.266 0.000 0.987 623 T CA -0.176 61.813 62.100 -0.186 0.000 0.966 623 T CB 0.232 69.008 68.868 -0.154 0.000 0.933 623 T HN 0.645 nan 8.240 nan 0.000 0.442 624 H N 2.787 121.491 119.070 -0.610 0.000 2.595 624 H HA 0.439 4.995 4.556 -0.001 0.000 0.313 624 H C -1.195 173.718 175.328 -0.692 0.000 1.023 624 H CA -1.107 54.609 56.048 -0.553 0.000 1.218 624 H CB 0.319 29.695 29.762 -0.644 0.000 1.403 624 H HN 0.435 nan 8.280 nan 0.000 0.477 625 F N 6.676 126.728 119.950 0.170 0.000 2.308 625 F HA 0.289 4.816 4.527 -0.000 0.000 0.370 625 F C -2.003 173.890 175.800 0.155 0.000 1.100 625 F CA -2.442 55.612 58.000 0.091 0.000 1.108 625 F CB 0.838 39.879 39.000 0.067 0.000 1.293 625 F HN 0.517 nan 8.300 nan 0.000 0.478 626 P HA 0.299 nan 4.420 nan 0.000 0.267 626 P C -0.711 176.697 177.300 0.180 0.000 1.200 626 P CA -0.053 63.132 63.100 0.142 0.000 0.772 626 P CB 0.898 32.609 31.700 0.018 0.000 0.855 627 A N 3.601 126.533 122.820 0.187 0.000 2.527 627 A HA 0.619 4.938 4.320 -0.001 0.000 0.293 627 A C -2.116 175.550 177.584 0.137 0.000 1.117 627 A CA -1.488 50.631 52.037 0.136 0.000 0.723 627 A CB 0.671 19.747 19.000 0.127 0.000 1.313 627 A HN 0.248 nan 8.150 nan 0.000 0.411 628 P HA -0.135 nan 4.420 nan 0.000 0.219 628 P C 0.726 178.131 177.300 0.176 0.000 1.146 628 P CA 1.456 64.647 63.100 0.151 0.000 0.808 628 P CB 0.254 32.026 31.700 0.120 0.000 0.779 629 E N -0.621 119.658 120.200 0.131 0.000 2.267 629 E HA -0.170 4.180 4.350 -0.001 0.000 0.197 629 E C 1.269 177.937 176.600 0.114 0.000 0.998 629 E CA 1.052 57.515 56.400 0.105 0.000 0.830 629 E CB -0.702 29.044 29.700 0.077 0.000 0.751 629 E HN 0.317 nan 8.360 nan 0.000 0.491 630 D N -1.063 119.437 120.400 0.167 0.000 2.355 630 D HA 0.006 4.645 4.640 -0.001 0.000 0.218 630 D C -0.366 176.060 176.300 0.211 0.000 1.004 630 D CA 0.400 54.510 54.000 0.182 0.000 0.880 630 D CB 0.137 41.101 40.800 0.272 0.000 0.911 630 D HN 0.054 nan 8.370 nan 0.000 0.528 631 F N 0.818 120.788 119.950 0.032 0.000 2.546 631 F HA 0.326 4.852 4.527 -0.000 0.000 0.320 631 F C -1.735 174.075 175.800 0.016 0.000 1.076 631 F CA -2.344 55.667 58.000 0.019 0.000 0.928 631 F CB 2.116 41.145 39.000 0.048 0.000 1.189 631 F HN -0.304 nan 8.300 nan 0.000 0.465 632 P HA 0.052 nan 4.420 nan 0.000 0.241 632 P C -0.700 176.239 177.300 -0.602 0.000 1.191 632 P CA 0.711 63.058 63.100 -1.255 0.000 0.771 632 P CB 0.660 31.888 31.700 -0.787 0.000 0.929 633 L N -0.331 120.646 121.223 -0.411 0.000 2.436 633 L HA 0.509 4.849 4.340 -0.001 0.000 0.268 633 L C -0.780 175.934 176.870 -0.259 0.000 0.974 633 L CA -1.299 53.257 54.840 -0.473 0.000 0.826 633 L CB 2.180 43.717 42.059 -0.870 0.000 1.291 633 L HN -0.251 nan 8.230 nan 0.000 0.406 634 M N 6.806 126.291 119.600 -0.191 0.000 2.146 634 M HA 0.501 4.981 4.480 -0.001 0.000 0.357 634 M C -2.238 173.994 176.300 -0.114 0.000 1.261 634 M CA -1.435 53.813 55.300 -0.087 0.000 1.106 634 M CB 1.181 33.770 32.600 -0.018 0.000 1.612 634 M HN 0.442 nan 8.290 nan 0.000 0.470 635 P HA 0.079 nan 4.420 nan 0.000 0.268 635 P C -1.189 176.058 177.300 -0.089 0.000 1.205 635 P CA -0.127 62.923 63.100 -0.083 0.000 0.771 635 P CB 0.445 32.113 31.700 -0.054 0.000 0.858 636 A N 2.500 125.265 122.820 -0.092 0.000 2.567 636 A HA 0.021 4.340 4.320 -0.001 0.000 0.240 636 A C 0.422 177.950 177.584 -0.094 0.000 1.053 636 A CA 0.297 52.277 52.037 -0.095 0.000 0.755 636 A CB -0.601 18.355 19.000 -0.073 0.000 0.978 636 A HN 0.602 nan 8.150 nan 0.000 0.507 637 E N 3.911 124.041 120.200 -0.117 0.000 2.133 637 E HA 0.488 4.837 4.350 -0.001 0.000 0.274 637 E C -2.575 173.969 176.600 -0.094 0.000 0.930 637 E CA -2.167 54.162 56.400 -0.118 0.000 0.770 637 E CB 1.445 31.038 29.700 -0.178 0.000 1.104 637 E HN 0.495 nan 8.360 nan 0.000 0.403 638 P HA 0.343 nan 4.420 nan 0.000 0.286 638 P C -0.775 176.503 177.300 -0.038 0.000 1.261 638 P CA -0.335 62.731 63.100 -0.057 0.000 0.821 638 P CB 1.287 32.950 31.700 -0.060 0.000 1.013 639 I N 0.422 120.973 120.570 -0.032 0.000 2.686 639 I HA 0.545 4.715 4.170 -0.001 0.000 0.295 639 I C -0.058 176.033 176.117 -0.044 0.000 1.114 639 I CA -0.520 60.783 61.300 0.006 0.000 1.038 639 I CB 2.615 40.651 38.000 0.059 0.000 1.238 639 I HN 0.271 nan 8.210 nan 0.000 0.420 640 T N 5.565 120.084 114.554 -0.058 0.000 2.889 640 T HA 0.821 5.170 4.350 -0.001 0.000 0.315 640 T C -1.819 172.766 174.700 -0.193 0.000 1.291 640 T CA -0.475 61.538 62.100 -0.146 0.000 1.028 640 T CB 1.585 70.382 68.868 -0.120 0.000 1.235 640 T HN 0.547 nan 8.240 nan 0.000 0.491 641 L N 1.004 122.060 121.223 -0.277 0.000 2.469 641 L HA 0.924 5.263 4.340 -0.001 0.000 0.256 641 L C -1.154 175.594 176.870 -0.203 0.000 1.006 641 L CA -1.005 53.685 54.840 -0.251 0.000 0.832 641 L CB 2.151 43.970 42.059 -0.399 0.000 1.421 641 L HN 0.806 nan 8.230 nan 0.000 0.410 642 M N 1.946 121.468 119.600 -0.129 0.000 2.501 642 M HA 0.692 5.171 4.480 -0.001 0.000 0.293 642 M C -2.099 174.181 176.300 -0.034 0.000 1.192 642 M CA -0.585 54.665 55.300 -0.082 0.000 0.886 642 M CB 2.391 34.963 32.600 -0.046 0.000 1.710 642 M HN 0.732 nan 8.290 nan 0.000 0.457 643 L N 4.296 125.537 121.223 0.029 0.000 2.316 643 L HA 0.570 4.910 4.340 -0.001 0.000 0.280 643 L C -0.755 176.238 176.870 0.203 0.000 1.006 643 L CA -0.403 54.536 54.840 0.164 0.000 0.836 643 L CB 1.467 43.703 42.059 0.295 0.000 1.221 643 L HN 0.678 nan 8.230 nan 0.000 0.418 644 R N 4.291 124.807 120.500 0.026 0.000 2.514 644 R HA 0.472 4.812 4.340 -0.001 0.000 0.301 644 R C -2.535 173.421 176.300 -0.573 0.000 0.962 644 R CA -1.886 54.117 56.100 -0.162 0.000 0.882 644 R CB 1.668 31.916 30.300 -0.086 0.000 1.143 644 R HN 0.257 nan 8.270 nan 0.000 0.452 645 P HA 0.097 nan 4.420 nan 0.000 0.271 645 P C -0.958 176.138 177.300 -0.339 0.000 1.220 645 P CA -0.142 62.366 63.100 -0.987 0.000 0.768 645 P CB 0.850 32.181 31.700 -0.615 0.000 0.848 646 R N 2.994 123.373 120.500 -0.201 0.000 2.514 646 R HA 0.264 4.604 4.340 -0.001 0.000 0.296 646 R C 0.613 176.925 176.300 0.020 0.000 1.012 646 R CA -0.659 55.373 56.100 -0.113 0.000 0.897 646 R CB 0.305 30.589 30.300 -0.026 0.000 1.184 646 R HN 0.671 nan 8.270 nan 0.000 0.440 647 H N 0.934 120.020 119.070 0.027 0.000 3.395 647 H HA -0.234 4.322 4.556 -0.001 0.000 0.222 647 H C 0.811 176.135 175.328 -0.006 0.000 1.099 647 H CA 1.312 57.370 56.048 0.017 0.000 1.182 647 H CB -1.153 28.609 29.762 0.000 0.000 1.188 647 H HN 0.541 nan 8.280 nan 0.000 0.317 648 F N 0.583 120.452 119.950 -0.136 0.000 2.149 648 F HA 0.119 4.645 4.527 -0.001 0.000 0.294 648 F C 1.029 176.546 175.800 -0.471 0.000 1.095 648 F CA 0.846 58.644 58.000 -0.337 0.000 1.276 648 F CB 0.193 38.873 39.000 -0.533 0.000 1.023 648 F HN -0.060 nan 8.300 nan 0.000 0.480 649 F N -0.506 119.497 119.950 0.088 0.000 2.457 649 F HA 0.259 4.785 4.527 -0.001 0.000 0.330 649 F C 1.601 177.364 175.800 -0.063 0.000 1.069 649 F CA -0.249 57.743 58.000 -0.014 0.000 1.009 649 F CB 0.723 39.726 39.000 0.005 0.000 1.276 649 F HN -0.239 nan 8.300 nan 0.000 0.492 650 T N -3.198 111.418 114.554 0.103 0.000 3.060 650 T HA 0.235 4.584 4.350 -0.001 0.000 0.249 650 T C -0.103 174.659 174.700 0.102 0.000 1.079 650 T CA 0.157 62.234 62.100 -0.039 0.000 1.013 650 T CB -0.572 68.049 68.868 -0.413 0.000 0.975 650 T HN 0.726 nan 8.240 nan 0.000 0.518 651 E N 0.228 120.491 120.200 0.105 0.000 2.437 651 E HA 0.305 4.655 4.350 -0.001 0.000 0.280 651 E C -1.337 175.252 176.600 -0.019 0.000 1.044 651 E CA -1.215 55.219 56.400 0.056 0.000 0.826 651 E CB 0.146 29.873 29.700 0.045 0.000 1.358 651 E HN -0.112 nan 8.360 nan 0.000 0.459 652 N N 2.054 120.706 118.700 -0.080 0.000 2.315 652 N HA -0.019 4.720 4.740 -0.001 0.000 0.270 652 N C -1.370 174.026 175.510 -0.189 0.000 1.329 652 N CA -1.115 51.847 53.050 -0.147 0.000 0.860 652 N CB 0.670 39.027 38.487 -0.216 0.000 1.095 652 N HN 0.388 nan 8.380 nan 0.000 0.487 653 P HA 0.050 nan 4.420 nan 0.000 0.237 653 P C 0.767 177.981 177.300 -0.143 0.000 1.178 653 P CA 0.569 63.419 63.100 -0.417 0.000 0.766 653 P CB 0.081 31.113 31.700 -1.113 0.000 0.876 654 G N -0.288 108.499 108.800 -0.022 0.000 3.189 654 G HA2 0.058 4.018 3.960 -0.001 0.000 0.225 654 G HA3 0.058 4.018 3.960 -0.001 0.000 0.225 654 G C 1.260 176.305 174.900 0.243 0.000 1.159 654 G CA -0.160 45.032 45.100 0.154 0.000 0.763 654 G HN 0.188 nan 8.290 nan 0.000 0.549 655 L N 1.044 122.310 121.223 0.070 0.000 2.362 655 L HA 0.011 4.350 4.340 -0.001 0.000 0.219 655 L C 1.985 178.914 176.870 0.099 0.000 1.134 655 L CA 0.954 55.815 54.840 0.035 0.000 0.807 655 L CB -0.034 41.958 42.059 -0.112 0.000 0.927 655 L HN 0.258 nan 8.230 nan 0.000 0.447 656 D N -0.093 120.367 120.400 0.100 0.000 2.328 656 D HA 0.004 4.643 4.640 -0.001 0.000 0.226 656 D C 0.690 177.033 176.300 0.072 0.000 1.066 656 D CA -0.002 54.052 54.000 0.089 0.000 0.861 656 D CB -0.197 40.680 40.800 0.128 0.000 0.912 656 D HN 0.209 nan 8.370 nan 0.000 0.521 657 I N 1.758 122.386 120.570 0.097 0.000 2.496 657 I HA -0.028 4.142 4.170 -0.001 0.000 0.285 657 I C 0.766 176.922 176.117 0.066 0.000 1.080 657 I CA -0.485 60.851 61.300 0.060 0.000 1.404 657 I CB 0.658 38.689 38.000 0.050 0.000 1.403 657 I HN -0.196 nan 8.210 nan 0.000 0.539 658 Q N 7.045 126.865 119.800 0.033 0.000 2.263 658 Q HA 0.102 4.442 4.340 -0.001 0.000 0.289 658 Q C -2.124 173.895 176.000 0.032 0.000 1.061 658 Q CA -1.202 54.619 55.803 0.030 0.000 0.927 658 Q CB -0.119 28.628 28.738 0.016 0.000 1.154 658 Q HN 0.318 nan 8.270 nan 0.000 0.378 659 P HA 0.029 nan 4.420 nan 0.000 0.269 659 P C 0.299 177.622 177.300 0.038 0.000 1.215 659 P CA 0.078 63.206 63.100 0.047 0.000 0.780 659 P CB 0.690 32.424 31.700 0.058 0.000 0.898 660 S N -0.025 115.702 115.700 0.045 0.000 2.406 660 S HA -0.042 4.427 4.470 -0.001 0.000 0.228 660 S C 0.143 174.840 174.600 0.160 0.000 1.020 660 S CA 1.156 59.399 58.200 0.073 0.000 0.965 660 S CB -0.402 62.828 63.200 0.051 0.000 0.798 660 S HN 0.590 nan 8.310 nan 0.000 0.488 661 Y N -0.031 120.277 120.300 0.012 0.000 2.482 661 Y HA 0.575 5.124 4.550 -0.001 0.000 0.334 661 Y C -1.507 174.414 175.900 0.035 0.000 1.091 661 Y CA -1.213 56.899 58.100 0.020 0.000 1.027 661 Y CB 1.071 39.541 38.460 0.016 0.000 1.306 661 Y HN -0.027 nan 8.280 nan 0.000 0.446 662 A N 5.970 128.410 122.820 -0.634 0.000 2.437 662 A HA 0.763 5.082 4.320 -0.001 0.000 0.293 662 A C -1.989 175.239 177.584 -0.592 0.000 1.038 662 A CA -0.517 51.257 52.037 -0.438 0.000 0.708 662 A CB 1.379 20.281 19.000 -0.163 0.000 1.251 662 A HN 0.720 nan 8.150 nan 0.000 0.409 663 M N 2.719 122.084 119.600 -0.391 0.000 2.213 663 M HA 0.503 4.983 4.480 -0.001 0.000 0.286 663 M C 0.138 176.392 176.300 -0.077 0.000 1.008 663 M CA -0.017 55.150 55.300 -0.222 0.000 0.937 663 M CB 1.796 34.314 32.600 -0.137 0.000 1.600 663 M HN 0.933 nan 8.290 nan 0.000 0.450 664 T N 0.582 115.101 114.554 -0.059 0.000 2.816 664 T HA 0.347 4.697 4.350 -0.001 0.000 0.282 664 T C 0.908 175.597 174.700 -0.018 0.000 0.993 664 T CA -0.131 61.952 62.100 -0.028 0.000 0.994 664 T CB 0.619 69.470 68.868 -0.029 0.000 1.025 664 T HN 0.689 nan 8.240 nan 0.000 0.529 665 T N 1.370 115.914 114.554 -0.017 0.000 2.746 665 T HA -0.144 4.206 4.350 -0.001 0.000 0.267 665 T C 2.387 177.074 174.700 -0.022 0.000 1.039 665 T CA 1.950 64.036 62.100 -0.022 0.000 1.142 665 T CB -0.734 68.115 68.868 -0.032 0.000 0.866 665 T HN 0.878 nan 8.240 nan 0.000 0.444 666 S N 1.605 117.293 115.700 -0.021 0.000 2.368 666 S HA -0.106 4.364 4.470 -0.001 0.000 0.224 666 S C 1.886 176.477 174.600 -0.016 0.000 1.029 666 S CA 1.097 59.286 58.200 -0.019 0.000 0.988 666 S CB -0.447 62.742 63.200 -0.018 0.000 0.838 666 S HN 0.572 nan 8.310 nan 0.000 0.462 667 E N 1.776 121.965 120.200 -0.019 0.000 2.077 667 E HA -0.028 4.321 4.350 -0.001 0.000 0.193 667 E C 2.405 179.001 176.600 -0.006 0.000 0.989 667 E CA 1.060 57.450 56.400 -0.017 0.000 0.800 667 E CB -0.420 29.261 29.700 -0.031 0.000 0.746 667 E HN 0.723 nan 8.360 nan 0.000 0.452 668 A N 1.307 124.125 122.820 -0.002 0.000 1.969 668 A HA -0.187 4.133 4.320 -0.001 0.000 0.218 668 A C 1.903 179.488 177.584 0.002 0.000 1.169 668 A CA 1.225 53.267 52.037 0.009 0.000 0.635 668 A CB -0.173 18.834 19.000 0.012 0.000 0.810 668 A HN 0.031 nan 8.150 nan 0.000 0.445 669 K N -0.684 119.712 120.400 -0.007 0.000 2.057 669 K HA -0.048 4.271 4.320 -0.001 0.000 0.206 669 K C 2.273 178.870 176.600 -0.005 0.000 1.050 669 K CA 1.123 57.404 56.287 -0.010 0.000 0.935 669 K CB -0.171 32.320 32.500 -0.015 0.000 0.715 669 K HN 0.331 nan 8.250 nan 0.000 0.439 670 R N 0.320 120.817 120.500 -0.005 0.000 2.120 670 R HA -0.065 4.275 4.340 -0.001 0.000 0.234 670 R C 2.005 178.306 176.300 0.002 0.000 1.123 670 R CA 1.066 57.165 56.100 -0.003 0.000 0.975 670 R CB -0.172 30.125 30.300 -0.004 0.000 0.866 670 R HN 0.150 nan 8.270 nan 0.000 0.446 671 A N 0.764 123.587 122.820 0.006 0.000 2.239 671 A HA 0.116 4.436 4.320 -0.001 0.000 0.209 671 A C 0.659 178.249 177.584 0.011 0.000 1.171 671 A CA 0.247 52.292 52.037 0.013 0.000 0.768 671 A CB -0.050 18.965 19.000 0.024 0.000 0.790 671 A HN 0.084 nan 8.150 nan 0.000 0.478 672 V N 0.000 119.917 119.914 0.005 0.000 2.409 672 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 672 V CA 0.000 62.301 62.300 0.002 0.000 1.235 672 V CB 0.000 31.824 31.823 0.002 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556