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 3ny8_1_A DATA FIRST_RESID 32 DATA SEQUENCE WVVGMGIVMS LIVLAIVFGN VLVITAIAKF ERLQTVTNYF ITSLACADLV DATA SEQUENCE MGLAVVPFGA AHILMKMWTF GNFWcEFWTS IDVLCVTASI WTLCVIAVDR DATA SEQUENCE YFAITSPFKY QSLLTKNKAR VIILMVWIVS GLTSFLPIQM HWYRATHQEA DATA SEQUENCE INcYAEETcc DFFTNQAYAI ASSIVSFYVP LVIMVFVYSR VFQEAKRQLX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XKFCLKEHKA LKTLGIIMGT DATA SEQUENCE FTLCWLPFFI VNIVHVIQDN LIRKEVYILL NWIGYVNSGF NPLIYCRSPD DATA SEQUENCE FRIAFQELLC LXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX NIFEMLRIDE GLRLKIYKDT EGYYTIGIGH DATA SEQUENCE LLTKSPSLNA AKSELDKAIG RNTNGVITKD EAEKLFNQDV DAAVRGILRN DATA SEQUENCE AKLKPVYDSL DAVRRAALIN MVFQMGETGV AGFTNSLRML QQKRWDEAAV DATA SEQUENCE NLAKSRWYNQ TPNRAKRVIT TFRTGTWDAY 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 32 W HA 0.000 nan 4.660 nan 0.000 0.303 32 W C 0.000 176.505 176.519 -0.023 0.000 1.175 32 W CA 0.000 57.334 57.345 -0.018 0.000 1.226 32 W CB 0.000 29.450 29.460 -0.017 0.000 1.126 33 V N 1.855 121.878 119.914 0.181 0.000 2.439 33 V HA -0.338 3.783 4.120 0.002 0.000 0.253 33 V C 1.736 177.758 176.094 -0.120 0.000 1.074 33 V CA 2.276 64.574 62.300 -0.004 0.000 1.076 33 V CB -1.099 30.798 31.823 0.122 0.000 0.664 33 V HN 0.232 nan 8.190 nan 0.000 0.461 34 V N 0.565 120.434 119.914 -0.075 0.000 2.407 34 V HA -0.172 3.949 4.120 0.002 0.000 0.248 34 V C 2.581 178.587 176.094 -0.147 0.000 1.055 34 V CA 2.026 64.275 62.300 -0.085 0.000 1.049 34 V CB -1.335 30.462 31.823 -0.044 0.000 0.662 34 V HN 0.615 nan 8.190 nan 0.000 0.455 35 G N -0.875 107.792 108.800 -0.222 0.000 2.408 35 G HA2 -0.283 3.678 3.960 0.002 0.000 0.217 35 G HA3 -0.283 3.678 3.960 0.002 0.000 0.217 35 G C 1.540 176.245 174.900 -0.326 0.000 1.150 35 G CA 1.055 45.993 45.100 -0.270 0.000 0.776 35 G HN 0.397 nan 8.290 nan 0.000 0.542 36 M N 1.417 120.747 119.600 -0.450 0.000 2.254 36 M HA 0.175 4.656 4.480 0.002 0.000 0.265 36 M C 2.526 178.677 176.300 -0.247 0.000 1.066 36 M CA 1.300 56.351 55.300 -0.416 0.000 1.123 36 M CB -0.639 31.642 32.600 -0.532 0.000 1.388 36 M HN 0.161 nan 8.290 nan 0.000 0.425 37 G N 0.293 108.982 108.800 -0.184 0.000 2.418 37 G HA2 -0.165 3.796 3.960 0.002 0.000 0.217 37 G HA3 -0.165 3.796 3.960 0.002 0.000 0.217 37 G C 1.352 176.200 174.900 -0.087 0.000 1.158 37 G CA 0.984 46.020 45.100 -0.107 0.000 0.771 37 G HN 0.396 nan 8.290 nan 0.000 0.545 38 I N 0.982 121.491 120.570 -0.101 0.000 2.113 38 I HA -0.103 4.068 4.170 0.002 0.000 0.238 38 I C 3.038 179.112 176.117 -0.072 0.000 1.070 38 I CA 0.410 61.663 61.300 -0.078 0.000 1.332 38 I CB -1.509 36.442 38.000 -0.081 0.000 1.044 38 I HN 0.031 nan 8.210 nan 0.000 0.402 39 V N 1.067 120.921 119.914 -0.099 0.000 2.233 39 V HA -0.369 3.752 4.120 0.002 0.000 0.252 39 V C 2.693 178.766 176.094 -0.035 0.000 1.063 39 V CA 2.485 64.735 62.300 -0.082 0.000 1.032 39 V CB -0.713 31.030 31.823 -0.132 0.000 0.645 39 V HN 0.374 nan 8.190 nan 0.000 0.446 40 M N -0.537 119.037 119.600 -0.044 0.000 2.213 40 M HA -0.140 4.341 4.480 0.002 0.000 0.263 40 M C 2.308 178.653 176.300 0.075 0.000 1.062 40 M CA 1.806 57.145 55.300 0.065 0.000 1.105 40 M CB -0.411 32.219 32.600 0.050 0.000 1.385 40 M HN 0.352 nan 8.290 nan 0.000 0.417 41 S N 0.744 116.452 115.700 0.014 0.000 2.357 41 S HA -0.004 4.467 4.470 0.002 0.000 0.221 41 S C 1.863 176.462 174.600 -0.001 0.000 1.031 41 S CA 0.959 59.161 58.200 0.004 0.000 0.982 41 S CB -0.380 62.808 63.200 -0.020 0.000 0.853 41 S HN 0.391 nan 8.310 nan 0.000 0.458 42 L N 1.146 122.360 121.223 -0.015 0.000 2.013 42 L HA -0.170 4.171 4.340 0.002 0.000 0.212 42 L C 2.288 179.152 176.870 -0.010 0.000 1.073 42 L CA 1.354 56.180 54.840 -0.024 0.000 0.753 42 L CB -0.710 41.329 42.059 -0.033 0.000 0.890 42 L HN 0.297 nan 8.230 nan 0.000 0.432 43 I N -0.857 119.722 120.570 0.015 0.000 2.208 43 I HA -0.285 3.886 4.170 0.002 0.000 0.245 43 I C 2.480 178.607 176.117 0.017 0.000 1.097 43 I CA 1.131 62.446 61.300 0.025 0.000 1.363 43 I CB -0.251 37.810 38.000 0.101 0.000 1.051 43 I HN 0.018 nan 8.210 nan 0.000 0.413 44 V N 1.006 120.940 119.914 0.034 0.000 2.287 44 V HA -0.301 3.820 4.120 0.002 0.000 0.248 44 V C 2.382 178.489 176.094 0.022 0.000 1.053 44 V CA 1.856 64.168 62.300 0.021 0.000 1.027 44 V CB -0.564 31.274 31.823 0.024 0.000 0.646 44 V HN 0.360 nan 8.190 nan 0.000 0.447 45 L N 0.075 121.307 121.223 0.016 0.000 2.012 45 L HA -0.181 4.160 4.340 0.002 0.000 0.210 45 L C 2.746 179.651 176.870 0.058 0.000 1.073 45 L CA 1.733 56.589 54.840 0.025 0.000 0.748 45 L CB -0.869 41.181 42.059 -0.015 0.000 0.891 45 L HN 0.351 nan 8.230 nan 0.000 0.431 46 A N 0.239 123.072 122.820 0.023 0.000 1.908 46 A HA -0.193 4.128 4.320 0.002 0.000 0.218 46 A C 2.233 179.860 177.584 0.071 0.000 1.181 46 A CA 1.715 53.780 52.037 0.045 0.000 0.627 46 A CB -0.721 18.269 19.000 -0.017 0.000 0.818 46 A HN 0.373 nan 8.150 nan 0.000 0.445 47 I N -0.443 120.140 120.570 0.023 0.000 2.142 47 I HA -0.205 3.966 4.170 0.002 0.000 0.240 47 I C 2.286 178.432 176.117 0.049 0.000 1.078 47 I CA 1.304 62.613 61.300 0.015 0.000 1.343 47 I CB -0.384 37.610 38.000 -0.010 0.000 1.046 47 I HN 0.154 nan 8.210 nan 0.000 0.405 48 V N 0.462 120.415 119.914 0.064 0.000 2.515 48 V HA -0.258 3.863 4.120 0.002 0.000 0.250 48 V C 2.147 178.297 176.094 0.093 0.000 1.058 48 V CA 1.626 63.967 62.300 0.070 0.000 1.064 48 V CB -0.729 31.134 31.823 0.068 0.000 0.675 48 V HN 0.354 nan 8.190 nan 0.000 0.461 49 F N 2.089 122.024 119.950 -0.025 0.000 2.037 49 F HA 0.071 4.599 4.527 0.002 0.000 0.291 49 F C 2.363 178.127 175.800 -0.059 0.000 1.137 49 F CA 1.852 59.829 58.000 -0.038 0.000 1.178 49 F CB -1.068 37.905 39.000 -0.045 0.000 0.995 49 F HN 0.138 nan 8.300 nan 0.000 0.472 50 G N 0.685 109.537 108.800 0.086 0.000 2.556 50 G HA2 -0.372 3.589 3.960 0.002 0.000 0.220 50 G HA3 -0.372 3.589 3.960 0.002 0.000 0.220 50 G C 1.542 176.357 174.900 -0.142 0.000 1.156 50 G CA 1.404 46.456 45.100 -0.080 0.000 0.766 50 G HN 0.450 nan 8.290 nan 0.000 0.583 51 N N -0.035 118.640 118.700 -0.042 0.000 2.290 51 N HA -0.037 4.704 4.740 0.002 0.000 0.179 51 N C 2.348 177.850 175.510 -0.013 0.000 1.016 51 N CA 0.886 53.944 53.050 0.014 0.000 0.871 51 N CB -0.131 38.391 38.487 0.057 0.000 0.987 51 N HN 0.180 nan 8.380 nan 0.000 0.431 52 V N 1.798 121.677 119.914 -0.058 0.000 2.469 52 V HA -0.186 3.935 4.120 0.002 0.000 0.251 52 V C 2.328 178.364 176.094 -0.096 0.000 1.064 52 V CA 1.045 63.307 62.300 -0.063 0.000 1.066 52 V CB -0.361 31.421 31.823 -0.070 0.000 0.667 52 V HN 0.176 nan 8.190 nan 0.000 0.461 53 L N -0.504 120.587 121.223 -0.220 0.000 2.109 53 L HA -0.059 4.281 4.340 0.002 0.000 0.207 53 L C 2.295 179.188 176.870 0.038 0.000 1.086 53 L CA 1.713 56.406 54.840 -0.245 0.000 0.760 53 L CB -0.335 41.327 42.059 -0.661 0.000 0.910 53 L HN 0.143 nan 8.230 nan 0.000 0.437 54 V N -0.502 119.472 119.914 0.100 0.000 2.323 54 V HA -0.278 3.843 4.120 0.002 0.000 0.244 54 V C 2.453 178.699 176.094 0.254 0.000 1.041 54 V CA 1.886 64.392 62.300 0.345 0.000 1.025 54 V CB -0.442 31.564 31.823 0.305 0.000 0.656 54 V HN 0.328 nan 8.190 nan 0.000 0.451 55 I N 0.276 120.928 120.570 0.136 0.000 2.151 55 I HA -0.311 3.860 4.170 0.002 0.000 0.243 55 I C 2.577 178.740 176.117 0.076 0.000 1.080 55 I CA 2.151 63.500 61.300 0.082 0.000 1.339 55 I CB -0.791 37.228 38.000 0.032 0.000 1.039 55 I HN 0.362 nan 8.210 nan 0.000 0.409 56 T N 0.862 115.462 114.554 0.076 0.000 2.622 56 T HA -0.203 4.148 4.350 0.002 0.000 0.266 56 T C 2.078 176.861 174.700 0.139 0.000 1.047 56 T CA 1.589 63.733 62.100 0.072 0.000 1.159 56 T CB -0.550 68.353 68.868 0.058 0.000 0.863 56 T HN 0.507 nan 8.240 nan 0.000 0.422 57 A N 1.459 124.430 122.820 0.253 0.000 1.893 57 A HA -0.246 4.075 4.320 0.002 0.000 0.222 57 A C 2.281 180.004 177.584 0.231 0.000 1.309 57 A CA 2.365 54.602 52.037 0.333 0.000 0.681 57 A CB -1.250 17.954 19.000 0.339 0.000 0.842 57 A HN 0.559 nan 8.150 nan 0.000 0.468 58 I N -0.550 120.106 120.570 0.143 0.000 2.286 58 I HA -0.269 3.902 4.170 0.002 0.000 0.248 58 I C 2.889 179.034 176.117 0.046 0.000 1.115 58 I CA 1.132 62.478 61.300 0.076 0.000 1.392 58 I CB -0.302 37.756 38.000 0.097 0.000 1.065 58 I HN 0.401 nan 8.210 nan 0.000 0.418 59 A N -0.183 122.648 122.820 0.018 0.000 2.015 59 A HA -0.187 4.134 4.320 0.002 0.000 0.219 59 A C 2.371 179.909 177.584 -0.077 0.000 1.163 59 A CA 1.462 53.476 52.037 -0.039 0.000 0.646 59 A CB -0.265 18.704 19.000 -0.050 0.000 0.806 59 A HN 0.300 nan 8.150 nan 0.000 0.448 60 K N -2.116 118.217 120.400 -0.111 0.000 2.348 60 K HA 0.190 4.511 4.320 0.002 0.000 0.194 60 K C -1.050 175.215 176.600 -0.558 0.000 1.052 60 K CA 0.034 56.106 56.287 -0.358 0.000 1.004 60 K CB 0.324 32.521 32.500 -0.505 0.000 0.873 60 K HN 0.370 nan 8.250 nan 0.000 0.523 61 F N 1.611 121.532 119.950 -0.048 0.000 2.366 61 F HA 0.223 4.751 4.527 0.001 0.000 0.366 61 F C 0.718 176.476 175.800 -0.069 0.000 1.096 61 F CA -0.790 57.170 58.000 -0.066 0.000 1.060 61 F CB 1.745 40.685 39.000 -0.100 0.000 1.282 61 F HN -0.083 nan 8.300 nan 0.000 0.450 62 E N 1.241 121.484 120.200 0.073 0.000 2.114 62 E HA -0.267 4.084 4.350 0.002 0.000 0.199 62 E C 2.124 178.738 176.600 0.024 0.000 1.008 62 E CA 1.343 57.763 56.400 0.034 0.000 0.810 62 E CB -0.096 29.612 29.700 0.014 0.000 0.739 62 E HN 0.510 nan 8.360 nan 0.000 0.456 63 R N 0.383 120.900 120.500 0.029 0.000 2.139 63 R HA -0.156 4.185 4.340 0.002 0.000 0.243 63 R C 1.802 178.064 176.300 -0.064 0.000 1.145 63 R CA 1.221 57.306 56.100 -0.024 0.000 0.976 63 R CB -0.153 30.120 30.300 -0.045 0.000 0.866 63 R HN 0.241 nan 8.270 nan 0.000 0.449 64 L N 0.004 121.185 121.223 -0.070 0.000 2.446 64 L HA 0.045 4.386 4.340 0.002 0.000 0.219 64 L C 0.533 177.385 176.870 -0.030 0.000 1.116 64 L CA 0.172 54.930 54.840 -0.137 0.000 0.844 64 L CB 0.107 42.007 42.059 -0.264 0.000 0.970 64 L HN 0.090 nan 8.230 nan 0.000 0.457 65 Q N 1.482 121.299 119.800 0.029 0.000 2.388 65 Q HA 0.050 4.391 4.340 0.002 0.000 0.246 65 Q C 0.177 176.135 176.000 -0.070 0.000 1.246 65 Q CA 0.252 56.122 55.803 0.113 0.000 0.895 65 Q CB 0.105 28.932 28.738 0.149 0.000 1.510 65 Q HN 0.258 nan 8.270 nan 0.000 0.503 66 T N -2.810 111.668 114.554 -0.127 0.000 2.883 66 T HA 0.320 4.671 4.350 0.002 0.000 0.296 66 T C 0.924 175.387 174.700 -0.395 0.000 1.117 66 T CA -0.908 61.047 62.100 -0.243 0.000 1.006 66 T CB 1.097 69.909 68.868 -0.094 0.000 1.191 66 T HN 0.093 nan 8.240 nan 0.000 0.508 67 V N 1.631 121.306 119.914 -0.399 0.000 2.252 67 V HA -0.207 3.914 4.120 0.002 0.000 0.249 67 V C 2.963 178.866 176.094 -0.318 0.000 1.056 67 V CA 2.890 64.928 62.300 -0.437 0.000 1.022 67 V CB -1.266 30.419 31.823 -0.230 0.000 0.641 67 V HN 1.124 nan 8.190 nan 0.000 0.445 68 T N 0.318 114.853 114.554 -0.031 0.000 2.652 68 T HA -0.183 4.168 4.350 0.002 0.000 0.267 68 T C 1.697 176.493 174.700 0.160 0.000 1.039 68 T CA 1.836 64.036 62.100 0.168 0.000 1.153 68 T CB -0.395 68.579 68.868 0.178 0.000 0.863 68 T HN 0.457 nan 8.240 nan 0.000 0.428 69 N N 0.139 118.910 118.700 0.119 0.000 2.512 69 N HA -0.007 4.734 4.740 0.002 0.000 0.183 69 N C 1.287 176.935 175.510 0.230 0.000 1.073 69 N CA 0.477 53.636 53.050 0.180 0.000 0.911 69 N CB -0.289 38.302 38.487 0.174 0.000 0.964 69 N HN 0.416 nan 8.380 nan 0.000 0.447 70 Y N 0.136 120.363 120.300 -0.122 0.000 2.242 70 Y HA -0.046 4.506 4.550 0.004 0.000 0.291 70 Y C 1.726 177.566 175.900 -0.099 0.000 1.137 70 Y CA 0.426 58.419 58.100 -0.178 0.000 1.181 70 Y CB -0.559 37.692 38.460 -0.349 0.000 0.989 70 Y HN -0.050 nan 8.280 nan 0.000 0.527 71 F N -0.866 119.227 119.950 0.239 0.000 2.163 71 F HA -0.186 4.342 4.527 0.001 0.000 0.297 71 F C 2.283 178.173 175.800 0.150 0.000 1.094 71 F CA 0.406 58.510 58.000 0.173 0.000 1.290 71 F CB -1.050 38.030 39.000 0.134 0.000 1.017 71 F HN -0.054 nan 8.300 nan 0.000 0.483 72 I N 0.101 120.854 120.570 0.306 0.000 2.194 72 I HA -0.308 3.863 4.170 0.002 0.000 0.246 72 I C 2.282 178.514 176.117 0.191 0.000 1.093 72 I CA 1.694 63.119 61.300 0.208 0.000 1.355 72 I CB -1.870 36.180 38.000 0.083 0.000 1.046 72 I HN 0.168 nan 8.210 nan 0.000 0.413 73 T N 0.319 114.967 114.554 0.157 0.000 2.665 73 T HA -0.217 4.134 4.350 0.002 0.000 0.268 73 T C 2.132 176.918 174.700 0.143 0.000 1.035 73 T CA 2.113 64.276 62.100 0.104 0.000 1.151 73 T CB -0.402 68.461 68.868 -0.007 0.000 0.862 73 T HN 0.423 nan 8.240 nan 0.000 0.438 74 S N 0.758 116.589 115.700 0.218 0.000 2.370 74 S HA -0.079 4.392 4.470 0.002 0.000 0.226 74 S C 2.070 176.904 174.600 0.390 0.000 1.033 74 S CA 1.048 59.460 58.200 0.354 0.000 1.011 74 S CB -0.590 62.905 63.200 0.493 0.000 0.852 74 S HN 0.442 nan 8.310 nan 0.000 0.457 75 L N 1.080 122.478 121.223 0.292 0.000 1.989 75 L HA -0.108 4.233 4.340 0.002 0.000 0.211 75 L C 3.077 180.091 176.870 0.240 0.000 1.071 75 L CA 1.441 56.425 54.840 0.239 0.000 0.749 75 L CB -0.871 41.310 42.059 0.203 0.000 0.890 75 L HN 0.495 nan 8.230 nan 0.000 0.431 76 A N -0.773 122.177 122.820 0.217 0.000 1.903 76 A HA -0.310 4.011 4.320 0.002 0.000 0.219 76 A C 2.384 180.060 177.584 0.153 0.000 1.191 76 A CA 2.255 54.400 52.037 0.180 0.000 0.638 76 A CB -1.401 17.693 19.000 0.157 0.000 0.823 76 A HN 0.619 nan 8.150 nan 0.000 0.451 77 C N -1.168 118.219 119.300 0.144 0.000 2.432 77 C HA 0.054 4.515 4.460 0.002 0.000 0.277 77 C C 3.313 178.412 174.990 0.182 0.000 1.249 77 C CA 0.664 59.738 59.018 0.093 0.000 1.725 77 C CB -1.558 26.164 27.740 -0.030 0.000 2.028 77 C HN 0.734 nan 8.230 nan 0.000 0.477 78 A N 1.199 124.235 122.820 0.360 0.000 1.903 78 A HA -0.280 4.041 4.320 0.002 0.000 0.219 78 A C 1.774 179.493 177.584 0.225 0.000 1.191 78 A CA 2.526 54.807 52.037 0.406 0.000 0.638 78 A CB -0.668 18.536 19.000 0.340 0.000 0.823 78 A HN 0.621 nan 8.150 nan 0.000 0.451 79 D N -0.753 119.759 120.400 0.186 0.000 2.149 79 D HA -0.078 4.563 4.640 0.002 0.000 0.201 79 D C 1.856 178.213 176.300 0.094 0.000 0.972 79 D CA 1.127 55.208 54.000 0.135 0.000 0.835 79 D CB -0.420 40.462 40.800 0.136 0.000 0.966 79 D HN 0.356 nan 8.370 nan 0.000 0.476 80 L N 1.017 122.297 121.223 0.094 0.000 2.046 80 L HA -0.139 4.202 4.340 0.002 0.000 0.208 80 L C 2.182 179.098 176.870 0.077 0.000 1.077 80 L CA 1.332 56.214 54.840 0.070 0.000 0.747 80 L CB -0.459 41.633 42.059 0.055 0.000 0.896 80 L HN -0.152 nan 8.230 nan 0.000 0.432 81 V N -0.816 119.155 119.914 0.095 0.000 2.515 81 V HA -0.284 3.837 4.120 0.002 0.000 0.250 81 V C 2.514 178.658 176.094 0.084 0.000 1.058 81 V CA 1.763 64.128 62.300 0.108 0.000 1.064 81 V CB -0.532 31.372 31.823 0.136 0.000 0.675 81 V HN 0.507 nan 8.190 nan 0.000 0.461 82 M N 1.244 120.878 119.600 0.056 0.000 2.117 82 M HA -0.039 4.442 4.480 0.002 0.000 0.262 82 M C 1.963 178.231 176.300 -0.053 0.000 1.065 82 M CA 2.175 57.461 55.300 -0.023 0.000 1.114 82 M CB -0.999 31.602 32.600 0.001 0.000 1.361 82 M HN 0.286 nan 8.290 nan 0.000 0.408 83 G N -0.974 107.825 108.800 -0.002 0.000 2.421 83 G HA2 -0.058 3.903 3.960 0.002 0.000 0.217 83 G HA3 -0.058 3.903 3.960 0.002 0.000 0.217 83 G C 1.468 176.395 174.900 0.045 0.000 1.143 83 G CA 0.583 45.681 45.100 -0.002 0.000 0.784 83 G HN 0.459 nan 8.290 nan 0.000 0.541 84 L N -0.501 120.776 121.223 0.090 0.000 2.298 84 L HA 0.324 4.665 4.340 0.002 0.000 0.209 84 L C 2.733 179.756 176.870 0.256 0.000 1.084 84 L CA 0.892 55.814 54.840 0.136 0.000 0.816 84 L CB 0.248 42.380 42.059 0.122 0.000 0.967 84 L HN 0.294 nan 8.230 nan 0.000 0.460 85 A N -2.119 120.872 122.820 0.285 0.000 2.287 85 A HA 0.219 4.540 4.320 0.002 0.000 0.214 85 A C 1.667 179.552 177.584 0.502 0.000 1.228 85 A CA 0.140 52.447 52.037 0.450 0.000 0.939 85 A CB 0.370 19.590 19.000 0.366 0.000 0.992 85 A HN 0.059 nan 8.150 nan 0.000 0.502 86 V N -1.077 118.999 119.914 0.270 0.000 2.784 86 V HA -0.040 4.081 4.120 0.002 0.000 0.231 86 V C 2.386 178.591 176.094 0.185 0.000 1.128 86 V CA 1.399 63.797 62.300 0.162 0.000 1.178 86 V CB -0.103 31.554 31.823 -0.277 0.000 0.943 86 V HN 0.196 nan 8.190 nan 0.000 0.500 87 V N 1.257 121.060 119.914 -0.185 0.000 2.332 87 V HA -0.159 3.962 4.120 0.002 0.000 0.248 87 V C -0.171 175.953 176.094 0.050 0.000 1.055 87 V CA 2.718 64.810 62.300 -0.345 0.000 1.038 87 V CB -1.791 29.793 31.823 -0.399 0.000 0.651 87 V HN 0.490 nan 8.190 nan 0.000 0.450 88 P HA -0.133 nan 4.420 nan 0.000 0.216 88 P C 1.447 178.719 177.300 -0.046 0.000 1.150 88 P CA 1.650 64.748 63.100 -0.003 0.000 0.837 88 P CB -0.105 31.491 31.700 -0.173 0.000 0.786 89 F N -0.771 119.252 119.950 0.120 0.000 2.270 89 F HA 0.138 4.666 4.527 0.001 0.000 0.295 89 F C 2.604 178.517 175.800 0.188 0.000 1.087 89 F CA 1.180 59.154 58.000 -0.044 0.000 1.365 89 F CB -1.660 37.117 39.000 -0.373 0.000 1.056 89 F HN -0.098 nan 8.300 nan 0.000 0.506 90 G N 0.266 109.438 108.800 0.621 0.000 2.505 90 G HA2 -0.302 3.659 3.960 0.002 0.000 0.220 90 G HA3 -0.302 3.659 3.960 0.002 0.000 0.220 90 G C 1.917 177.241 174.900 0.707 0.000 1.145 90 G CA 1.134 46.683 45.100 0.750 0.000 0.761 90 G HN 0.444 nan 8.290 nan 0.000 0.571 91 A N 1.021 124.198 122.820 0.596 0.000 1.898 91 A HA 0.308 4.629 4.320 0.002 0.000 0.216 91 A C 2.830 180.591 177.584 0.295 0.000 1.181 91 A CA 2.296 54.614 52.037 0.468 0.000 0.620 91 A CB -0.794 18.419 19.000 0.355 0.000 0.819 91 A HN 0.869 nan 8.150 nan 0.000 0.442 92 A N -1.471 121.506 122.820 0.262 0.000 1.969 92 A HA -0.182 4.139 4.320 0.002 0.000 0.218 92 A C 2.090 179.846 177.584 0.287 0.000 1.169 92 A CA 1.689 53.861 52.037 0.225 0.000 0.635 92 A CB -0.906 18.253 19.000 0.264 0.000 0.810 92 A HN 0.693 nan 8.150 nan 0.000 0.445 93 H N 0.288 119.548 119.070 0.317 0.000 2.319 93 H HA -0.147 4.410 4.556 0.002 0.000 0.297 93 H C 1.903 177.390 175.328 0.265 0.000 1.097 93 H CA 2.288 58.544 56.048 0.347 0.000 1.285 93 H CB -0.253 29.763 29.762 0.424 0.000 1.368 93 H HN 0.463 nan 8.280 nan 0.000 0.495 94 I N 0.264 121.118 120.570 0.474 0.000 2.133 94 I HA -0.292 3.879 4.170 0.002 0.000 0.238 94 I C 2.792 179.034 176.117 0.209 0.000 1.074 94 I CA 0.973 62.463 61.300 0.317 0.000 1.342 94 I CB -0.256 37.858 38.000 0.191 0.000 1.053 94 I HN 0.140 nan 8.210 nan 0.000 0.404 95 L N -0.543 120.772 121.223 0.153 0.000 2.093 95 L HA -0.183 4.158 4.340 0.002 0.000 0.208 95 L C 2.403 179.324 176.870 0.085 0.000 1.085 95 L CA 1.355 56.253 54.840 0.097 0.000 0.755 95 L CB -0.514 41.579 42.059 0.056 0.000 0.904 95 L HN 0.274 nan 8.230 nan 0.000 0.435 96 M N -0.787 118.858 119.600 0.075 0.000 2.558 96 M HA -0.028 4.453 4.480 0.002 0.000 0.255 96 M C 0.448 176.780 176.300 0.052 0.000 1.113 96 M CA 0.445 55.764 55.300 0.031 0.000 1.097 96 M CB 0.075 32.655 32.600 -0.033 0.000 1.426 96 M HN -0.047 nan 8.290 nan 0.000 0.488 97 K N 0.850 121.316 120.400 0.111 0.000 3.130 97 K HA -0.173 4.148 4.320 0.002 0.000 0.282 97 K C -0.338 176.324 176.600 0.103 0.000 1.145 97 K CA 1.254 57.624 56.287 0.138 0.000 0.831 97 K CB -1.662 30.904 32.500 0.110 0.000 1.226 97 K HN 0.730 nan 8.250 nan 0.000 0.478 98 M N -4.105 115.507 119.600 0.021 0.000 2.949 98 M HA 0.418 4.899 4.480 0.002 0.000 0.270 98 M C -1.629 174.601 176.300 -0.117 0.000 1.221 98 M CA -0.949 54.335 55.300 -0.027 0.000 0.818 98 M CB 1.390 33.990 32.600 -0.000 0.000 1.635 98 M HN 0.152 nan 8.290 nan 0.000 0.492 99 W N 3.510 124.665 121.300 -0.242 0.000 2.298 99 W HA 0.395 5.055 4.660 0.001 0.000 0.327 99 W C -0.258 176.184 176.519 -0.129 0.000 0.988 99 W CA -0.195 57.045 57.345 -0.175 0.000 1.448 99 W CB 1.506 30.936 29.460 -0.051 0.000 1.243 99 W HN 0.961 nan 8.180 nan 0.000 0.388 100 T N 1.462 115.596 114.554 -0.700 0.000 3.235 100 T HA 0.081 4.432 4.350 0.002 0.000 0.251 100 T C 0.500 174.635 174.700 -0.943 0.000 1.060 100 T CA 0.194 61.849 62.100 -0.741 0.000 0.949 100 T CB -0.588 67.827 68.868 -0.754 0.000 1.020 100 T HN 0.293 nan 8.240 nan 0.000 0.564 101 F N 1.518 120.984 119.950 -0.807 0.000 2.682 101 F HA 0.557 5.085 4.527 0.002 0.000 0.308 101 F C 1.579 177.353 175.800 -0.043 0.000 1.093 101 F CA -0.232 57.446 58.000 -0.537 0.000 1.244 101 F CB 0.315 38.868 39.000 -0.745 0.000 1.052 101 F HN 0.519 nan 8.300 nan 0.000 0.573 102 G N 0.826 109.793 108.800 0.277 0.000 2.712 102 G HA2 -0.244 3.717 3.960 0.002 0.000 0.683 102 G HA3 -0.244 3.717 3.960 0.002 0.000 0.683 102 G C 0.233 175.577 174.900 0.740 0.000 1.320 102 G CA -0.302 45.092 45.100 0.490 0.000 0.847 102 G HN 0.039 nan 8.290 nan 0.000 0.553 103 N N -0.730 118.274 118.700 0.506 0.000 2.092 103 N HA -0.032 4.709 4.740 0.002 0.000 0.189 103 N C 2.229 178.005 175.510 0.443 0.000 1.040 103 N CA 1.831 55.134 53.050 0.422 0.000 0.845 103 N CB -0.413 38.264 38.487 0.317 0.000 1.017 103 N HN 0.584 nan 8.380 nan 0.000 0.426 104 F N 1.010 121.158 119.950 0.330 0.000 2.154 104 F HA -0.211 4.317 4.527 0.002 0.000 0.301 104 F C 2.373 178.435 175.800 0.436 0.000 1.087 104 F CA 1.516 59.708 58.000 0.320 0.000 1.274 104 F CB -0.198 38.953 39.000 0.251 0.000 1.009 104 F HN 0.218 nan 8.300 nan 0.000 0.485 105 W N 0.237 121.770 121.300 0.388 0.000 2.413 105 W HA -0.245 4.416 4.660 0.001 0.000 0.315 105 W C 2.753 179.503 176.519 0.385 0.000 1.186 105 W CA 1.461 59.007 57.345 0.335 0.000 1.326 105 W CB -1.091 28.604 29.460 0.391 0.000 1.153 105 W HN 0.197 nan 8.180 nan 0.000 0.489 106 c N 1.886 120.762 118.600 0.459 0.000 2.353 106 c HA -0.300 4.271 4.570 0.002 0.000 0.272 106 c C 2.443 176.443 174.090 -0.151 0.000 1.165 106 c CA 2.448 58.684 56.329 -0.155 0.000 1.786 106 c CB -1.260 41.002 42.510 -0.413 0.000 2.071 106 c HN 0.465 nan 8.230 nan 0.000 0.451 107 E N -1.083 119.067 120.200 -0.083 0.000 2.031 107 E HA -0.207 4.144 4.350 0.002 0.000 0.193 107 E C 1.949 178.355 176.600 -0.323 0.000 0.994 107 E CA 1.697 57.998 56.400 -0.165 0.000 0.800 107 E CB -0.516 29.147 29.700 -0.061 0.000 0.752 107 E HN 0.800 nan 8.360 nan 0.000 0.447 108 F N -0.025 119.626 119.950 -0.498 0.000 2.161 108 F HA -0.207 4.321 4.527 0.002 0.000 0.300 108 F C 2.078 177.436 175.800 -0.736 0.000 1.089 108 F CA 1.500 59.165 58.000 -0.558 0.000 1.282 108 F CB -0.105 38.583 39.000 -0.519 0.000 1.010 108 F HN 0.155 nan 8.300 nan 0.000 0.485 109 W N 0.733 121.460 121.300 -0.955 0.000 2.388 109 W HA -0.139 4.522 4.660 0.002 0.000 0.294 109 W C 2.213 178.333 176.519 -0.665 0.000 1.212 109 W CA 2.155 58.894 57.345 -1.010 0.000 1.271 109 W CB -0.725 28.131 29.460 -1.008 0.000 1.126 109 W HN -0.183 nan 8.180 nan 0.000 0.535 110 T N -0.275 113.872 114.554 -0.677 0.000 2.896 110 T HA -0.133 4.218 4.350 0.002 0.000 0.263 110 T C 1.895 176.071 174.700 -0.872 0.000 1.050 110 T CA 1.777 63.355 62.100 -0.871 0.000 1.140 110 T CB -0.430 68.044 68.868 -0.656 0.000 0.877 110 T HN 0.058 nan 8.240 nan 0.000 0.457 111 S N 1.263 116.401 115.700 -0.937 0.000 2.402 111 S HA 0.066 4.537 4.470 0.002 0.000 0.229 111 S C 1.990 175.895 174.600 -1.158 0.000 1.021 111 S CA 0.686 58.158 58.200 -1.213 0.000 0.974 111 S CB -0.331 61.698 63.200 -1.951 0.000 0.800 111 S HN 0.412 nan 8.310 nan 0.000 0.484 112 I N 1.671 121.673 120.570 -0.946 0.000 2.315 112 I HA -0.168 4.003 4.170 0.002 0.000 0.248 112 I C 2.497 178.353 176.117 -0.434 0.000 1.117 112 I CA 1.151 62.157 61.300 -0.490 0.000 1.404 112 I CB -0.260 37.549 38.000 -0.318 0.000 1.071 112 I HN 0.241 nan 8.210 nan 0.000 0.419 113 D N 0.838 120.863 120.400 -0.625 0.000 2.097 113 D HA -0.139 4.502 4.640 0.002 0.000 0.195 113 D C 2.235 178.287 176.300 -0.414 0.000 0.989 113 D CA 1.382 55.048 54.000 -0.558 0.000 0.827 113 D CB 0.144 40.458 40.800 -0.809 0.000 0.966 113 D HN 0.117 nan 8.370 nan 0.000 0.456 114 V N 1.319 120.960 119.914 -0.454 0.000 2.295 114 V HA -0.225 3.896 4.120 0.002 0.000 0.246 114 V C 2.740 178.690 176.094 -0.239 0.000 1.049 114 V CA 1.400 63.512 62.300 -0.313 0.000 1.024 114 V CB -0.660 30.995 31.823 -0.279 0.000 0.648 114 V HN 0.211 nan 8.190 nan 0.000 0.447 115 L N 0.113 121.189 121.223 -0.246 0.000 2.013 115 L HA -0.224 4.117 4.340 0.002 0.000 0.212 115 L C 2.370 179.133 176.870 -0.178 0.000 1.073 115 L CA 2.344 57.097 54.840 -0.145 0.000 0.753 115 L CB -0.893 41.175 42.059 0.014 0.000 0.890 115 L HN 0.366 nan 8.230 nan 0.000 0.432 116 C N -1.887 117.335 119.300 -0.129 0.000 2.440 116 C HA -0.082 4.379 4.460 0.002 0.000 0.278 116 C C 2.706 177.607 174.990 -0.149 0.000 1.295 116 C CA 0.809 59.778 59.018 -0.082 0.000 1.738 116 C CB -0.758 26.979 27.740 -0.005 0.000 1.987 116 C HN 0.515 nan 8.230 nan 0.000 0.492 117 V N 0.327 120.104 119.914 -0.229 0.000 2.379 117 V HA -0.180 3.941 4.120 0.002 0.000 0.245 117 V C 2.513 178.511 176.094 -0.160 0.000 1.044 117 V CA 2.412 64.528 62.300 -0.306 0.000 1.036 117 V CB -1.150 30.312 31.823 -0.602 0.000 0.664 117 V HN 0.555 nan 8.190 nan 0.000 0.453 118 T N 0.754 115.224 114.554 -0.139 0.000 2.607 118 T HA -0.249 4.102 4.350 0.002 0.000 0.267 118 T C 2.072 176.716 174.700 -0.094 0.000 1.049 118 T CA 1.992 64.061 62.100 -0.052 0.000 1.162 118 T CB -0.538 68.291 68.868 -0.065 0.000 0.863 118 T HN 0.568 nan 8.240 nan 0.000 0.424 119 A N 1.017 123.640 122.820 -0.329 0.000 1.940 119 A HA -0.122 4.199 4.320 0.002 0.000 0.219 119 A C 2.596 179.965 177.584 -0.359 0.000 1.176 119 A CA 2.117 53.815 52.037 -0.566 0.000 0.631 119 A CB -0.778 17.440 19.000 -1.303 0.000 0.814 119 A HN 0.458 nan 8.150 nan 0.000 0.446 120 S N -0.873 114.665 115.700 -0.270 0.000 2.387 120 S HA -0.058 4.413 4.470 0.002 0.000 0.226 120 S C 1.811 176.077 174.600 -0.558 0.000 1.026 120 S CA 1.099 59.139 58.200 -0.267 0.000 0.972 120 S CB -0.286 62.874 63.200 -0.066 0.000 0.814 120 S HN 0.505 nan 8.310 nan 0.000 0.477 121 I N 0.525 120.760 120.570 -0.558 0.000 2.286 121 I HA 0.008 4.179 4.170 0.002 0.000 0.245 121 I C 1.586 177.376 176.117 -0.544 0.000 1.104 121 I CA 0.806 61.679 61.300 -0.711 0.000 1.397 121 I CB -0.499 37.185 38.000 -0.525 0.000 1.072 121 I HN 0.330 nan 8.210 nan 0.000 0.417 122 W N 0.543 121.624 121.300 -0.364 0.000 2.388 122 W HA -0.165 4.496 4.660 0.001 0.000 0.294 122 W C 2.654 178.992 176.519 -0.302 0.000 1.212 122 W CA 1.860 59.025 57.345 -0.300 0.000 1.271 122 W CB -0.887 28.416 29.460 -0.261 0.000 1.126 122 W HN -0.008 nan 8.180 nan 0.000 0.535 123 T N 1.000 115.479 114.554 -0.125 0.000 2.674 123 T HA -0.224 4.127 4.350 0.002 0.000 0.265 123 T C 1.906 176.458 174.700 -0.246 0.000 1.039 123 T CA 1.501 63.504 62.100 -0.161 0.000 1.150 123 T CB -0.761 68.066 68.868 -0.067 0.000 0.864 123 T HN 0.024 nan 8.240 nan 0.000 0.427 124 L N 0.486 121.526 121.223 -0.305 0.000 2.013 124 L HA -0.193 4.148 4.340 0.002 0.000 0.212 124 L C 2.999 179.674 176.870 -0.325 0.000 1.073 124 L CA 1.270 55.909 54.840 -0.334 0.000 0.753 124 L CB -0.609 41.164 42.059 -0.477 0.000 0.890 124 L HN 0.455 nan 8.230 nan 0.000 0.432 125 C N -0.841 118.239 119.300 -0.367 0.000 2.413 125 C HA -0.144 4.317 4.460 0.002 0.000 0.276 125 C C 2.779 177.640 174.990 -0.216 0.000 1.248 125 C CA 0.936 59.757 59.018 -0.328 0.000 1.742 125 C CB -0.507 26.939 27.740 -0.491 0.000 2.017 125 C HN 0.382 nan 8.230 nan 0.000 0.481 126 V N 0.859 120.643 119.914 -0.216 0.000 2.427 126 V HA -0.175 3.946 4.120 0.002 0.000 0.248 126 V C 2.235 178.137 176.094 -0.320 0.000 1.051 126 V CA 2.278 64.434 62.300 -0.240 0.000 1.048 126 V CB -0.537 31.079 31.823 -0.344 0.000 0.666 126 V HN 0.588 nan 8.190 nan 0.000 0.456 127 I N 0.347 120.707 120.570 -0.350 0.000 2.226 127 I HA -0.257 3.914 4.170 0.002 0.000 0.245 127 I C 2.619 178.732 176.117 -0.007 0.000 1.100 127 I CA 1.559 62.762 61.300 -0.162 0.000 1.374 127 I CB -0.518 37.431 38.000 -0.084 0.000 1.057 127 I HN 0.291 nan 8.210 nan 0.000 0.413 128 A N 0.067 122.861 122.820 -0.044 0.000 1.933 128 A HA -0.139 4.182 4.320 0.002 0.000 0.218 128 A C 2.396 180.068 177.584 0.147 0.000 1.175 128 A CA 1.675 53.788 52.037 0.128 0.000 0.628 128 A CB -0.831 18.188 19.000 0.031 0.000 0.814 128 A HN 0.257 nan 8.150 nan 0.000 0.444 129 V N 0.159 120.116 119.914 0.072 0.000 2.453 129 V HA -0.191 3.930 4.120 0.002 0.000 0.247 129 V C 2.267 178.536 176.094 0.291 0.000 1.048 129 V CA 2.229 64.615 62.300 0.144 0.000 1.049 129 V CB -0.663 31.241 31.823 0.135 0.000 0.672 129 V HN 0.674 nan 8.190 nan 0.000 0.457 130 D N 0.195 120.718 120.400 0.206 0.000 2.097 130 D HA -0.186 4.455 4.640 0.002 0.000 0.195 130 D C 2.362 178.814 176.300 0.254 0.000 0.989 130 D CA 1.196 55.349 54.000 0.254 0.000 0.827 130 D CB -0.044 40.903 40.800 0.245 0.000 0.966 130 D HN 0.087 nan 8.370 nan 0.000 0.456 131 R N -0.538 120.089 120.500 0.212 0.000 2.120 131 R HA -0.164 4.177 4.340 0.002 0.000 0.234 131 R C 2.186 178.517 176.300 0.053 0.000 1.123 131 R CA 0.758 56.949 56.100 0.151 0.000 0.975 131 R CB -1.161 29.252 30.300 0.189 0.000 0.866 131 R HN 0.468 nan 8.270 nan 0.000 0.446 132 Y N 0.347 120.614 120.300 -0.055 0.000 2.114 132 Y HA -0.209 4.344 4.550 0.004 0.000 0.284 132 Y C 1.955 177.745 175.900 -0.182 0.000 1.143 132 Y CA 1.559 59.540 58.100 -0.198 0.000 1.135 132 Y CB -0.516 37.760 38.460 -0.306 0.000 0.980 132 Y HN -0.130 nan 8.280 nan 0.000 0.499 133 F N 0.007 120.064 119.950 0.179 0.000 2.234 133 F HA -0.116 4.411 4.527 -0.000 0.000 0.299 133 F C 2.549 178.326 175.800 -0.038 0.000 1.087 133 F CA 1.173 59.226 58.000 0.088 0.000 1.340 133 F CB -0.994 38.092 39.000 0.144 0.000 1.031 133 F HN 0.183 nan 8.300 nan 0.000 0.500 134 A N -0.061 122.847 122.820 0.146 0.000 1.877 134 A HA -0.188 4.133 4.320 0.002 0.000 0.216 134 A C 2.254 179.794 177.584 -0.073 0.000 1.186 134 A CA 1.659 53.733 52.037 0.060 0.000 0.620 134 A CB -0.983 18.070 19.000 0.089 0.000 0.822 134 A HN 0.428 nan 8.150 nan 0.000 0.443 135 I N 0.132 120.588 120.570 -0.190 0.000 3.059 135 I HA -0.103 4.068 4.170 0.002 0.000 0.270 135 I C 1.724 177.623 176.117 -0.363 0.000 1.238 135 I CA 1.566 62.674 61.300 -0.321 0.000 1.478 135 I CB 0.100 37.898 38.000 -0.337 0.000 1.097 135 I HN 0.484 nan 8.210 nan 0.000 0.455 136 T N -2.126 112.185 114.554 -0.406 0.000 3.107 136 T HA 0.147 4.498 4.350 0.002 0.000 0.249 136 T C 0.821 175.418 174.700 -0.173 0.000 1.096 136 T CA 0.022 61.909 62.100 -0.356 0.000 1.012 136 T CB -0.456 68.100 68.868 -0.521 0.000 0.977 136 T HN 0.323 nan 8.240 nan 0.000 0.527 137 S N 1.935 117.574 115.700 -0.101 0.000 2.652 137 S HA 0.415 4.886 4.470 0.002 0.000 0.270 137 S C -1.752 172.817 174.600 -0.051 0.000 1.243 137 S CA -1.371 56.830 58.200 0.001 0.000 0.999 137 S CB 1.299 64.569 63.200 0.117 0.000 0.973 137 S HN 0.040 nan 8.310 nan 0.000 0.544 138 P HA 0.118 nan 4.420 nan 0.000 0.242 138 P C -0.352 176.756 177.300 -0.320 0.000 1.197 138 P CA 0.506 63.495 63.100 -0.185 0.000 0.765 138 P CB -0.257 31.314 31.700 -0.215 0.000 0.936 139 F N 1.098 120.999 119.950 -0.081 0.000 2.640 139 F HA 0.268 4.798 4.527 0.006 0.000 0.331 139 F C 1.226 176.963 175.800 -0.105 0.000 1.200 139 F CA -0.873 57.088 58.000 -0.065 0.000 1.278 139 F CB -0.221 38.759 39.000 -0.033 0.000 1.571 139 F HN -0.292 nan 8.300 nan 0.000 0.576 140 K N 0.886 121.217 120.400 -0.115 0.000 2.511 140 K HA -0.155 4.166 4.320 0.002 0.000 0.277 140 K C -0.167 176.276 176.600 -0.262 0.000 1.025 140 K CA 0.948 56.997 56.287 -0.397 0.000 1.112 140 K CB 0.119 32.249 32.500 -0.616 0.000 0.859 140 K HN 0.525 nan 8.250 nan 0.000 0.485 141 Y N -1.475 118.853 120.300 0.048 0.000 4.866 141 Y HA -0.289 4.258 4.550 -0.005 0.000 0.282 141 Y C 0.052 175.994 175.900 0.070 0.000 0.899 141 Y CA 0.780 58.916 58.100 0.059 0.000 1.720 141 Y CB -1.810 36.689 38.460 0.066 0.000 1.107 141 Y HN 0.659 nan 8.280 nan 0.000 0.460 142 Q N 0.580 120.487 119.800 0.178 0.000 2.266 142 Q HA 0.676 5.017 4.340 0.002 0.000 0.261 142 Q C 0.044 176.093 176.000 0.081 0.000 0.985 142 Q CA -0.316 55.561 55.803 0.123 0.000 0.873 142 Q CB 1.850 30.655 28.738 0.111 0.000 1.306 142 Q HN 0.174 nan 8.270 nan 0.000 0.447 143 S N 2.623 118.355 115.700 0.053 0.000 2.549 143 S HA 0.167 4.637 4.470 0.002 0.000 0.279 143 S C 0.985 175.577 174.600 -0.013 0.000 1.321 143 S CA -0.295 57.935 58.200 0.051 0.000 1.054 143 S CB 0.190 63.421 63.200 0.051 0.000 0.899 143 S HN 0.716 nan 8.310 nan 0.000 0.497 144 L N 4.155 125.381 121.223 0.004 0.000 2.093 144 L HA 0.057 4.398 4.340 0.002 0.000 0.208 144 L C 0.846 177.676 176.870 -0.066 0.000 1.085 144 L CA 0.589 55.397 54.840 -0.054 0.000 0.755 144 L CB -0.493 41.548 42.059 -0.030 0.000 0.904 144 L HN 0.549 nan 8.230 nan 0.000 0.435 145 L N 1.024 122.233 121.223 -0.024 0.000 2.490 145 L HA 0.021 4.362 4.340 0.002 0.000 0.274 145 L C 0.965 177.795 176.870 -0.067 0.000 1.201 145 L CA -0.171 54.654 54.840 -0.025 0.000 0.869 145 L CB 0.514 42.599 42.059 0.045 0.000 1.123 145 L HN 0.261 nan 8.230 nan 0.000 0.484 146 T N -0.282 114.227 114.554 -0.075 0.000 2.788 146 T HA 0.192 4.543 4.350 0.002 0.000 0.280 146 T C 1.104 175.735 174.700 -0.115 0.000 0.984 146 T CA -0.856 61.185 62.100 -0.099 0.000 0.972 146 T CB 1.255 70.075 68.868 -0.079 0.000 1.039 146 T HN 0.448 nan 8.240 nan 0.000 0.530 147 K N 0.932 121.242 120.400 -0.150 0.000 2.002 147 K HA -0.100 4.221 4.320 0.002 0.000 0.209 147 K C 2.186 178.757 176.600 -0.050 0.000 1.048 147 K CA 1.379 57.551 56.287 -0.192 0.000 0.930 147 K CB -0.629 31.751 32.500 -0.199 0.000 0.714 147 K HN 0.582 nan 8.250 nan 0.000 0.438 148 N N 1.387 120.076 118.700 -0.019 0.000 2.149 148 N HA -0.161 4.580 4.740 0.002 0.000 0.188 148 N C 1.737 177.260 175.510 0.022 0.000 1.019 148 N CA 1.153 54.212 53.050 0.014 0.000 0.857 148 N CB -0.121 38.367 38.487 0.001 0.000 0.997 148 N HN 0.277 nan 8.380 nan 0.000 0.426 149 K N 0.945 121.350 120.400 0.008 0.000 2.097 149 K HA 0.054 4.375 4.320 0.002 0.000 0.205 149 K C 2.187 178.830 176.600 0.071 0.000 1.050 149 K CA 0.889 57.193 56.287 0.029 0.000 0.938 149 K CB -0.068 32.438 32.500 0.010 0.000 0.718 149 K HN 0.111 nan 8.250 nan 0.000 0.442 150 A N 1.680 124.524 122.820 0.041 0.000 1.908 150 A HA -0.226 4.095 4.320 0.002 0.000 0.218 150 A C 1.989 179.655 177.584 0.136 0.000 1.181 150 A CA 1.540 53.604 52.037 0.044 0.000 0.627 150 A CB -0.417 18.466 19.000 -0.195 0.000 0.818 150 A HN 0.238 nan 8.150 nan 0.000 0.445 151 R N -0.886 119.687 120.500 0.121 0.000 2.092 151 R HA -0.032 4.309 4.340 0.002 0.000 0.231 151 R C 2.017 178.387 176.300 0.116 0.000 1.119 151 R CA 1.283 57.454 56.100 0.118 0.000 0.970 151 R CB -0.567 29.783 30.300 0.084 0.000 0.864 151 R HN 0.394 nan 8.270 nan 0.000 0.440 152 V N 1.668 121.641 119.914 0.098 0.000 2.307 152 V HA -0.233 3.888 4.120 0.002 0.000 0.245 152 V C 2.371 178.531 176.094 0.110 0.000 1.045 152 V CA 1.452 63.801 62.300 0.083 0.000 1.024 152 V CB -0.389 31.467 31.823 0.054 0.000 0.651 152 V HN 0.208 nan 8.190 nan 0.000 0.449 153 I N 0.044 120.701 120.570 0.145 0.000 2.113 153 I HA -0.306 3.865 4.170 0.002 0.000 0.242 153 I C 2.372 178.610 176.117 0.202 0.000 1.064 153 I CA 2.164 63.564 61.300 0.167 0.000 1.320 153 I CB -1.110 37.036 38.000 0.244 0.000 1.028 153 I HN 0.266 nan 8.210 nan 0.000 0.406 154 I N 0.330 121.076 120.570 0.293 0.000 2.127 154 I HA -0.324 3.847 4.170 0.002 0.000 0.241 154 I C 2.669 178.987 176.117 0.336 0.000 1.075 154 I CA 1.276 62.790 61.300 0.357 0.000 1.334 154 I CB -0.449 37.771 38.000 0.366 0.000 1.040 154 I HN 0.152 nan 8.210 nan 0.000 0.405 155 L N -0.516 120.832 121.223 0.208 0.000 1.978 155 L HA -0.312 4.029 4.340 0.002 0.000 0.218 155 L C 2.770 179.734 176.870 0.157 0.000 1.075 155 L CA 1.446 56.380 54.840 0.157 0.000 0.767 155 L CB -0.612 41.495 42.059 0.080 0.000 0.890 155 L HN 0.319 nan 8.230 nan 0.000 0.434 156 M N -0.678 118.983 119.600 0.102 0.000 2.065 156 M HA -0.186 4.295 4.480 0.002 0.000 0.259 156 M C 2.390 178.696 176.300 0.010 0.000 1.069 156 M CA 1.637 56.961 55.300 0.041 0.000 1.110 156 M CB -1.088 31.518 32.600 0.010 0.000 1.328 156 M HN 0.092 nan 8.290 nan 0.000 0.405 157 V N -1.567 118.359 119.914 0.020 0.000 2.380 157 V HA -0.292 3.829 4.120 0.002 0.000 0.251 157 V C 2.022 178.030 176.094 -0.145 0.000 1.063 157 V CA 1.793 64.035 62.300 -0.097 0.000 1.055 157 V CB -0.780 31.005 31.823 -0.063 0.000 0.657 157 V HN 0.491 nan 8.190 nan 0.000 0.455 158 W N -0.647 120.638 121.300 -0.025 0.000 2.453 158 W HA 0.080 4.741 4.660 0.001 0.000 0.289 158 W C 2.265 178.759 176.519 -0.042 0.000 1.215 158 W CA 0.647 57.979 57.345 -0.022 0.000 1.297 158 W CB -0.237 29.220 29.460 -0.004 0.000 1.113 158 W HN 0.139 nan 8.180 nan 0.000 0.551 159 I N -0.625 120.038 120.570 0.156 0.000 2.163 159 I HA -0.286 3.885 4.170 0.002 0.000 0.240 159 I C 2.051 178.168 176.117 -0.001 0.000 1.081 159 I CA 1.106 62.445 61.300 0.065 0.000 1.353 159 I CB -0.878 37.144 38.000 0.036 0.000 1.054 159 I HN -0.253 nan 8.210 nan 0.000 0.407 160 V N -0.187 119.694 119.914 -0.055 0.000 2.515 160 V HA -0.233 3.888 4.120 0.002 0.000 0.250 160 V C 2.493 178.502 176.094 -0.141 0.000 1.058 160 V CA 1.812 64.045 62.300 -0.112 0.000 1.064 160 V CB -0.513 31.201 31.823 -0.182 0.000 0.675 160 V HN 0.345 nan 8.190 nan 0.000 0.461 161 S N 0.659 116.253 115.700 -0.177 0.000 2.368 161 S HA -0.142 4.329 4.470 0.002 0.000 0.225 161 S C 2.116 176.686 174.600 -0.050 0.000 1.030 161 S CA 1.517 59.611 58.200 -0.176 0.000 0.999 161 S CB -0.699 62.322 63.200 -0.297 0.000 0.844 161 S HN 0.696 nan 8.310 nan 0.000 0.459 162 G N 1.556 110.371 108.800 0.025 0.000 2.421 162 G HA2 -0.152 3.809 3.960 0.002 0.000 0.216 162 G HA3 -0.152 3.809 3.960 0.002 0.000 0.216 162 G C 1.364 176.329 174.900 0.107 0.000 1.171 162 G CA 0.713 45.883 45.100 0.117 0.000 0.775 162 G HN 0.423 nan 8.290 nan 0.000 0.543 163 L N 0.964 122.204 121.223 0.029 0.000 1.994 163 L HA -0.105 4.236 4.340 0.002 0.000 0.208 163 L C 3.398 180.286 176.870 0.029 0.000 1.071 163 L CA 1.901 56.752 54.840 0.019 0.000 0.745 163 L CB -0.908 41.152 42.059 0.002 0.000 0.892 163 L HN 0.464 nan 8.230 nan 0.000 0.431 164 T N -4.577 109.988 114.554 0.017 0.000 2.915 164 T HA -0.103 4.248 4.350 0.002 0.000 0.269 164 T C 1.907 176.630 174.700 0.037 0.000 1.071 164 T CA 1.479 63.600 62.100 0.035 0.000 1.132 164 T CB -0.151 68.724 68.868 0.011 0.000 0.878 164 T HN 0.175 nan 8.240 nan 0.000 0.479 165 S N 0.389 116.098 115.700 0.014 0.000 2.388 165 S HA 0.256 4.727 4.470 0.002 0.000 0.223 165 S C 1.406 175.891 174.600 -0.191 0.000 1.034 165 S CA 0.380 58.539 58.200 -0.069 0.000 0.963 165 S CB -0.379 62.754 63.200 -0.112 0.000 0.827 165 S HN 0.487 nan 8.310 nan 0.000 0.481 166 F N 1.214 121.046 119.950 -0.198 0.000 2.187 166 F HA 0.118 4.646 4.527 0.001 0.000 0.295 166 F C 1.839 177.470 175.800 -0.281 0.000 1.091 166 F CA 0.406 58.250 58.000 -0.260 0.000 1.308 166 F CB -0.504 38.347 39.000 -0.249 0.000 1.030 166 F HN 0.098 nan 8.300 nan 0.000 0.487 167 L N 0.366 121.529 121.223 -0.102 0.000 1.970 167 L HA -0.142 4.199 4.340 0.002 0.000 0.212 167 L C -0.422 176.065 176.870 -0.638 0.000 1.071 167 L CA 2.244 56.878 54.840 -0.343 0.000 0.751 167 L CB -2.248 39.614 42.059 -0.329 0.000 0.889 167 L HN -0.047 nan 8.230 nan 0.000 0.432 168 P HA -0.196 nan 4.420 nan 0.000 0.216 168 P C 2.086 179.192 177.300 -0.325 0.000 1.154 168 P CA 1.669 64.541 63.100 -0.379 0.000 0.865 168 P CB 0.016 31.778 31.700 0.103 0.000 0.789 169 I N -1.373 118.985 120.570 -0.354 0.000 2.286 169 I HA -0.216 3.955 4.170 0.002 0.000 0.245 169 I C 2.468 178.445 176.117 -0.234 0.000 1.104 169 I CA 1.208 62.246 61.300 -0.438 0.000 1.397 169 I CB -0.478 37.163 38.000 -0.600 0.000 1.072 169 I HN -0.052 nan 8.210 nan 0.000 0.417 170 Q N 0.088 119.708 119.800 -0.301 0.000 2.049 170 Q HA -0.045 4.296 4.340 0.002 0.000 0.198 170 Q C 2.112 177.783 176.000 -0.549 0.000 0.971 170 Q CA 1.200 56.817 55.803 -0.310 0.000 0.833 170 Q CB -0.350 28.282 28.738 -0.177 0.000 0.896 170 Q HN 0.429 nan 8.270 nan 0.000 0.434 171 M N 0.425 119.686 119.600 -0.564 0.000 2.700 171 M HA -0.048 4.433 4.480 0.002 0.000 0.249 171 M C -0.281 175.814 176.300 -0.341 0.000 1.082 171 M CA 0.807 55.765 55.300 -0.571 0.000 1.077 171 M CB -0.812 31.220 32.600 -0.946 0.000 1.477 171 M HN 0.330 nan 8.290 nan 0.000 0.529 172 H N -3.173 115.818 119.070 -0.131 0.000 3.080 172 H HA -0.176 4.381 4.556 0.002 0.000 0.254 172 H C 0.459 175.815 175.328 0.047 0.000 1.179 172 H CA 1.036 57.073 56.048 -0.019 0.000 1.144 172 H CB -2.284 27.426 29.762 -0.087 0.000 1.261 172 H HN 0.533 nan 8.280 nan 0.000 0.333 173 W N 0.454 121.805 121.300 0.085 0.000 2.721 173 W HA -0.036 4.625 4.660 0.001 0.000 0.245 173 W C 2.086 178.591 176.519 -0.024 0.000 1.276 173 W CA 1.021 58.386 57.345 0.034 0.000 1.342 173 W CB -1.318 28.192 29.460 0.083 0.000 1.135 173 W HN 0.541 nan 8.180 nan 0.000 0.654 174 Y N 0.211 120.452 120.300 -0.098 0.000 2.490 174 Y HA 0.377 4.928 4.550 0.002 0.000 0.281 174 Y C 0.933 176.708 175.900 -0.208 0.000 1.174 174 Y CA -0.650 57.194 58.100 -0.426 0.000 1.295 174 Y CB -0.527 37.440 38.460 -0.822 0.000 1.062 174 Y HN -0.371 nan 8.280 nan 0.000 0.522 175 R N 2.115 122.181 120.500 -0.723 0.000 2.340 175 R HA 0.503 4.844 4.340 0.002 0.000 0.300 175 R C 0.263 176.417 176.300 -0.243 0.000 1.069 175 R CA 0.260 55.905 56.100 -0.757 0.000 0.984 175 R CB 1.057 30.848 30.300 -0.848 0.000 1.003 175 R HN 0.413 nan 8.270 nan 0.000 0.459 176 A N 1.465 124.231 122.820 -0.091 0.000 2.310 176 A HA 0.237 4.558 4.320 0.002 0.000 0.260 176 A C 0.785 178.279 177.584 -0.150 0.000 1.112 176 A CA -0.005 51.953 52.037 -0.132 0.000 0.804 176 A CB 0.256 19.049 19.000 -0.344 0.000 1.081 176 A HN 0.784 nan 8.150 nan 0.000 0.499 177 T N -1.895 112.557 114.554 -0.171 0.000 3.339 177 T HA 0.282 4.633 4.350 0.002 0.000 0.292 177 T C 0.201 174.840 174.700 -0.103 0.000 1.012 177 T CA -0.009 62.022 62.100 -0.116 0.000 0.937 177 T CB -0.871 67.971 68.868 -0.044 0.000 1.164 177 T HN 0.851 nan 8.240 nan 0.000 0.509 178 H N -0.660 118.354 119.070 -0.094 0.000 2.517 178 H HA 0.518 5.075 4.556 0.002 0.000 0.346 178 H C 0.939 176.166 175.328 -0.169 0.000 1.222 178 H CA -0.866 55.111 56.048 -0.120 0.000 1.314 178 H CB 1.391 31.079 29.762 -0.123 0.000 1.609 178 H HN -0.018 nan 8.280 nan 0.000 0.571 179 Q N 0.458 120.281 119.800 0.038 0.000 2.079 179 Q HA -0.144 4.197 4.340 0.002 0.000 0.200 179 Q C 2.144 178.073 176.000 -0.118 0.000 0.974 179 Q CA 1.972 57.744 55.803 -0.051 0.000 0.840 179 Q CB -0.234 28.485 28.738 -0.033 0.000 0.898 179 Q HN 0.838 nan 8.270 nan 0.000 0.430 180 E N -1.182 118.970 120.200 -0.079 0.000 2.160 180 E HA -0.202 4.149 4.350 0.002 0.000 0.195 180 E C 1.527 177.772 176.600 -0.592 0.000 0.991 180 E CA 1.103 57.357 56.400 -0.243 0.000 0.810 180 E CB -0.121 29.444 29.700 -0.226 0.000 0.742 180 E HN 0.451 nan 8.360 nan 0.000 0.466 181 A N 0.489 122.840 122.820 -0.781 0.000 1.878 181 A HA -0.026 4.295 4.320 0.002 0.000 0.213 181 A C 2.085 179.040 177.584 -1.049 0.000 1.192 181 A CA 0.649 51.962 52.037 -1.206 0.000 0.619 181 A CB -0.389 17.851 19.000 -1.268 0.000 0.837 181 A HN 0.249 nan 8.150 nan 0.000 0.446 182 I N 0.574 120.810 120.570 -0.556 0.000 2.454 182 I HA -0.251 3.920 4.170 0.002 0.000 0.254 182 I C 1.854 177.865 176.117 -0.178 0.000 1.156 182 I CA 0.963 62.131 61.300 -0.219 0.000 1.433 182 I CB -0.412 37.531 38.000 -0.095 0.000 1.082 182 I HN 0.293 nan 8.210 nan 0.000 0.432 183 N N 0.098 118.665 118.700 -0.221 0.000 2.216 183 N HA -0.156 4.585 4.740 0.002 0.000 0.183 183 N C 1.888 177.332 175.510 -0.110 0.000 1.017 183 N CA 1.119 54.093 53.050 -0.126 0.000 0.861 183 N CB -0.600 37.824 38.487 -0.105 0.000 0.986 183 N HN 0.372 nan 8.380 nan 0.000 0.428 184 c N 0.363 118.826 118.600 -0.227 0.000 2.457 184 c HA -0.030 4.541 4.570 0.002 0.000 0.278 184 c C 2.224 176.310 174.090 -0.008 0.000 1.309 184 c CA 0.194 56.468 56.329 -0.093 0.000 1.735 184 c CB -1.307 41.191 42.510 -0.020 0.000 1.992 184 c HN 0.370 nan 8.230 nan 0.000 0.493 185 Y N 1.627 121.944 120.300 0.029 0.000 2.224 185 Y HA 0.003 4.554 4.550 0.002 0.000 0.289 185 Y C 2.670 178.587 175.900 0.028 0.000 1.146 185 Y CA 1.216 59.326 58.100 0.016 0.000 1.182 185 Y CB -1.416 37.000 38.460 -0.074 0.000 0.983 185 Y HN 0.381 nan 8.280 nan 0.000 0.524 186 A N -0.080 122.826 122.820 0.144 0.000 1.872 186 A HA -0.104 4.217 4.320 0.002 0.000 0.214 186 A C 1.025 178.675 177.584 0.110 0.000 1.187 186 A CA 0.609 52.710 52.037 0.106 0.000 0.614 186 A CB -0.589 18.450 19.000 0.065 0.000 0.826 186 A HN 0.234 nan 8.150 nan 0.000 0.442 187 E N 1.147 121.405 120.200 0.097 0.000 2.406 187 E HA 0.051 4.402 4.350 0.002 0.000 0.258 187 E C 0.666 177.359 176.600 0.155 0.000 1.043 187 E CA 0.232 56.698 56.400 0.109 0.000 0.929 187 E CB 0.196 29.952 29.700 0.094 0.000 0.969 187 E HN 0.503 nan 8.360 nan 0.000 0.462 188 E N 2.217 122.517 120.200 0.168 0.000 2.208 188 E HA -0.139 4.212 4.350 0.002 0.000 0.193 188 E C 1.409 178.186 176.600 0.294 0.000 0.988 188 E CA 1.456 57.998 56.400 0.236 0.000 0.828 188 E CB 0.015 29.842 29.700 0.211 0.000 0.763 188 E HN 0.740 nan 8.360 nan 0.000 0.478 189 T N -1.617 113.061 114.554 0.207 0.000 3.035 189 T HA -0.048 4.303 4.350 0.002 0.000 0.268 189 T C 1.062 175.903 174.700 0.234 0.000 1.109 189 T CA 0.024 62.244 62.100 0.201 0.000 1.119 189 T CB -0.291 68.641 68.868 0.108 0.000 0.900 189 T HN 0.029 nan 8.240 nan 0.000 0.503 190 c N 1.258 119.985 118.600 0.211 0.000 2.307 190 c HA 0.730 5.301 4.570 0.002 0.000 0.340 190 c C 0.619 174.813 174.090 0.173 0.000 1.275 190 c CA -1.093 55.356 56.329 0.200 0.000 1.811 190 c CB -0.400 42.212 42.510 0.171 0.000 2.372 190 c HN 0.694 nan 8.230 nan 0.000 0.531 191 c N 7.058 125.756 118.600 0.164 0.000 3.327 191 c HA 0.386 4.957 4.570 0.002 0.000 0.192 191 c C -0.602 173.634 174.090 0.244 0.000 1.603 191 c CA -0.568 55.773 56.329 0.019 0.000 1.222 191 c CB -1.472 40.611 42.510 -0.712 0.000 1.981 191 c HN 0.927 nan 8.230 nan 0.000 0.563 192 D N 1.115 121.665 120.400 0.249 0.000 2.225 192 D HA 0.222 4.863 4.640 0.002 0.000 0.249 192 D C -0.253 176.101 176.300 0.089 0.000 1.052 192 D CA -0.174 53.893 54.000 0.111 0.000 0.909 192 D CB 0.868 41.614 40.800 -0.091 0.000 1.186 192 D HN 0.402 nan 8.370 nan 0.000 0.431 193 F N 2.748 122.610 119.950 -0.147 0.000 2.626 193 F HA 0.224 4.752 4.527 0.002 0.000 0.353 193 F C -0.756 174.990 175.800 -0.089 0.000 1.230 193 F CA -1.002 56.984 58.000 -0.024 0.000 1.298 193 F CB -0.928 38.097 39.000 0.042 0.000 1.670 193 F HN 0.073 nan 8.300 nan 0.000 0.633 194 F N 1.904 121.871 119.950 0.029 0.000 2.427 194 F HA 0.434 4.962 4.527 0.002 0.000 0.352 194 F C 0.826 176.550 175.800 -0.127 0.000 1.100 194 F CA -0.246 57.712 58.000 -0.069 0.000 1.191 194 F CB 1.009 39.953 39.000 -0.094 0.000 1.128 194 F HN 0.301 nan 8.300 nan 0.000 0.533 195 T N 0.835 115.396 114.554 0.011 0.000 2.864 195 T HA 0.429 4.780 4.350 0.002 0.000 0.299 195 T C -0.522 174.237 174.700 0.098 0.000 1.166 195 T CA -1.266 60.832 62.100 -0.003 0.000 1.007 195 T CB 1.658 70.488 68.868 -0.063 0.000 1.219 195 T HN 0.566 nan 8.240 nan 0.000 0.506 196 N N 1.096 119.861 118.700 0.107 0.000 2.327 196 N HA 0.145 4.886 4.740 0.002 0.000 0.257 196 N C 0.435 176.050 175.510 0.175 0.000 1.281 196 N CA -0.373 52.754 53.050 0.129 0.000 0.942 196 N CB 0.777 39.324 38.487 0.099 0.000 1.199 196 N HN 0.741 nan 8.380 nan 0.000 0.532 197 Q N -0.354 119.526 119.800 0.133 0.000 2.297 197 Q HA 0.253 4.594 4.340 0.002 0.000 0.203 197 Q C 2.055 178.122 176.000 0.112 0.000 0.931 197 Q CA 1.242 57.113 55.803 0.113 0.000 0.885 197 Q CB -0.250 28.531 28.738 0.070 0.000 0.991 197 Q HN 0.775 nan 8.270 nan 0.000 0.498 198 A N 0.069 122.959 122.820 0.116 0.000 1.972 198 A HA -0.221 4.100 4.320 0.002 0.000 0.219 198 A C 1.868 179.546 177.584 0.157 0.000 1.169 198 A CA 1.407 53.510 52.037 0.111 0.000 0.635 198 A CB -0.695 18.363 19.000 0.097 0.000 0.810 198 A HN 0.504 nan 8.150 nan 0.000 0.446 199 Y N 0.360 120.731 120.300 0.118 0.000 2.184 199 Y HA 0.063 4.614 4.550 0.002 0.000 0.290 199 Y C 2.617 178.614 175.900 0.161 0.000 1.129 199 Y CA 1.012 59.208 58.100 0.160 0.000 1.144 199 Y CB -0.644 37.929 38.460 0.188 0.000 0.995 199 Y HN 0.291 nan 8.280 nan 0.000 0.513 200 A N 0.803 123.661 122.820 0.064 0.000 1.865 200 A HA -0.197 4.124 4.320 0.002 0.000 0.217 200 A C 2.327 179.914 177.584 0.005 0.000 1.191 200 A CA 2.318 54.367 52.037 0.019 0.000 0.623 200 A CB -1.205 17.867 19.000 0.121 0.000 0.826 200 A HN 0.564 nan 8.150 nan 0.000 0.444 201 I N -0.600 119.996 120.570 0.045 0.000 2.233 201 I HA -0.213 3.958 4.170 0.002 0.000 0.243 201 I C 3.019 179.174 176.117 0.063 0.000 1.093 201 I CA 0.888 62.230 61.300 0.070 0.000 1.380 201 I CB -0.475 37.557 38.000 0.055 0.000 1.067 201 I HN 0.375 nan 8.210 nan 0.000 0.413 202 A N 0.189 123.024 122.820 0.025 0.000 1.859 202 A HA -0.292 4.029 4.320 0.002 0.000 0.217 202 A C 2.520 180.119 177.584 0.025 0.000 1.198 202 A CA 2.578 54.635 52.037 0.033 0.000 0.629 202 A CB -1.066 17.959 19.000 0.042 0.000 0.830 202 A HN 0.410 nan 8.150 nan 0.000 0.446 203 S N -0.791 114.846 115.700 -0.104 0.000 2.348 203 S HA -0.159 4.312 4.470 0.002 0.000 0.221 203 S C 2.269 176.918 174.600 0.081 0.000 1.033 203 S CA 1.929 60.071 58.200 -0.096 0.000 1.010 203 S CB -0.606 62.341 63.200 -0.422 0.000 0.891 203 S HN 0.574 nan 8.310 nan 0.000 0.442 204 S N 1.570 117.363 115.700 0.155 0.000 2.393 204 S HA -0.182 4.289 4.470 0.002 0.000 0.235 204 S C 1.753 176.576 174.600 0.371 0.000 1.061 204 S CA 1.999 60.413 58.200 0.356 0.000 1.129 204 S CB -0.797 62.708 63.200 0.507 0.000 1.011 204 S HN 0.559 nan 8.310 nan 0.000 0.436 205 I N 0.782 121.575 120.570 0.372 0.000 2.076 205 I HA -0.185 3.986 4.170 0.002 0.000 0.237 205 I C 2.266 178.522 176.117 0.231 0.000 1.059 205 I CA 1.301 62.806 61.300 0.341 0.000 1.317 205 I CB -0.653 37.459 38.000 0.187 0.000 1.037 205 I HN 0.169 nan 8.210 nan 0.000 0.398 206 V N 0.524 120.551 119.914 0.187 0.000 2.407 206 V HA -0.251 3.870 4.120 0.002 0.000 0.248 206 V C 2.418 178.690 176.094 0.297 0.000 1.055 206 V CA 2.265 64.688 62.300 0.207 0.000 1.049 206 V CB -0.548 31.360 31.823 0.141 0.000 0.662 206 V HN 0.414 nan 8.190 nan 0.000 0.455 207 S N -1.386 114.455 115.700 0.234 0.000 2.425 207 S HA 0.032 4.503 4.470 0.002 0.000 0.225 207 S C 1.523 176.231 174.600 0.181 0.000 1.024 207 S CA 1.290 59.645 58.200 0.258 0.000 0.951 207 S CB -0.066 63.233 63.200 0.165 0.000 0.796 207 S HN 0.607 nan 8.310 nan 0.000 0.498 208 F N -0.283 119.568 119.950 -0.164 0.000 2.347 208 F HA 0.320 4.848 4.527 0.002 0.000 0.266 208 F C 1.492 177.018 175.800 -0.457 0.000 0.884 208 F CA -0.315 57.382 58.000 -0.504 0.000 1.123 208 F CB -0.288 38.054 39.000 -1.097 0.000 1.098 208 F HN -0.041 nan 8.300 nan 0.000 0.803 209 Y N 0.634 120.832 120.300 -0.169 0.000 2.145 209 Y HA -0.190 4.361 4.550 0.002 0.000 0.286 209 Y C 2.529 178.257 175.900 -0.288 0.000 1.145 209 Y CA 1.968 59.928 58.100 -0.233 0.000 1.148 209 Y CB -1.230 37.223 38.460 -0.012 0.000 0.981 209 Y HN -0.064 nan 8.280 nan 0.000 0.507 210 V N 1.468 121.355 119.914 -0.045 0.000 2.219 210 V HA -0.269 3.852 4.120 0.002 0.000 0.248 210 V C -0.222 175.653 176.094 -0.364 0.000 1.053 210 V CA 2.683 64.918 62.300 -0.108 0.000 1.009 210 V CB -1.738 30.113 31.823 0.047 0.000 0.636 210 V HN 0.310 nan 8.190 nan 0.000 0.445 211 P HA -0.119 nan 4.420 nan 0.000 0.219 211 P C 1.924 178.792 177.300 -0.719 0.000 1.150 211 P CA 1.161 63.620 63.100 -1.069 0.000 0.814 211 P CB -0.016 30.521 31.700 -1.938 0.000 0.787 212 L N 0.628 121.430 121.223 -0.703 0.000 1.989 212 L HA -0.131 4.210 4.340 0.002 0.000 0.211 212 L C 2.405 179.083 176.870 -0.320 0.000 1.071 212 L CA 1.926 56.414 54.840 -0.587 0.000 0.749 212 L CB -1.420 40.129 42.059 -0.849 0.000 0.890 212 L HN -0.231 nan 8.230 nan 0.000 0.431 213 V N -0.112 119.658 119.914 -0.240 0.000 2.343 213 V HA -0.305 3.816 4.120 0.002 0.000 0.247 213 V C 2.563 178.622 176.094 -0.059 0.000 1.051 213 V CA 2.174 64.411 62.300 -0.104 0.000 1.036 213 V CB -0.596 31.181 31.823 -0.075 0.000 0.654 213 V HN 0.454 nan 8.190 nan 0.000 0.451 214 I N -0.670 119.825 120.570 -0.125 0.000 2.252 214 I HA -0.301 3.870 4.170 0.002 0.000 0.245 214 I C 2.518 178.601 176.117 -0.057 0.000 1.102 214 I CA 1.964 63.230 61.300 -0.056 0.000 1.385 214 I CB -0.279 37.640 38.000 -0.134 0.000 1.064 214 I HN 0.342 nan 8.210 nan 0.000 0.414 215 M N 0.752 120.250 119.600 -0.169 0.000 2.115 215 M HA -0.250 4.231 4.480 0.002 0.000 0.258 215 M C 2.367 178.649 176.300 -0.030 0.000 1.071 215 M CA 2.220 57.434 55.300 -0.144 0.000 1.100 215 M CB -0.182 32.269 32.600 -0.249 0.000 1.292 215 M HN 0.021 nan 8.290 nan 0.000 0.415 216 V N 0.463 120.369 119.914 -0.013 0.000 2.392 216 V HA -0.288 3.833 4.120 0.002 0.000 0.249 216 V C 2.241 178.414 176.094 0.131 0.000 1.059 216 V CA 2.217 64.560 62.300 0.071 0.000 1.051 216 V CB -1.152 30.713 31.823 0.069 0.000 0.658 216 V HN 0.617 nan 8.190 nan 0.000 0.455 217 F N 0.381 120.314 119.950 -0.027 0.000 2.128 217 F HA -0.084 4.445 4.527 0.003 0.000 0.295 217 F C 2.197 177.977 175.800 -0.033 0.000 1.100 217 F CA 1.541 59.525 58.000 -0.027 0.000 1.260 217 F CB -0.390 38.577 39.000 -0.055 0.000 1.009 217 F HN -0.059 nan 8.300 nan 0.000 0.476 218 V N -0.747 119.029 119.914 -0.230 0.000 2.379 218 V HA -0.288 3.833 4.120 0.002 0.000 0.245 218 V C 2.002 177.971 176.094 -0.208 0.000 1.044 218 V CA 1.924 64.013 62.300 -0.351 0.000 1.036 218 V CB -0.942 30.750 31.823 -0.219 0.000 0.664 218 V HN 0.433 nan 8.190 nan 0.000 0.453 219 Y N 1.098 121.277 120.300 -0.202 0.000 2.509 219 Y HA -0.138 4.413 4.550 0.002 0.000 0.293 219 Y C 2.693 178.470 175.900 -0.206 0.000 1.133 219 Y CA 1.084 59.053 58.100 -0.218 0.000 1.283 219 Y CB -0.071 38.271 38.460 -0.196 0.000 1.001 219 Y HN 0.406 nan 8.280 nan 0.000 0.555 220 S N -0.679 114.999 115.700 -0.036 0.000 2.428 220 S HA -0.165 4.306 4.470 0.002 0.000 0.230 220 S C 2.039 176.592 174.600 -0.078 0.000 1.014 220 S CA 0.928 59.153 58.200 0.041 0.000 0.957 220 S CB -0.229 63.020 63.200 0.082 0.000 0.784 220 S HN 0.382 nan 8.310 nan 0.000 0.499 221 R N 1.016 121.383 120.500 -0.221 0.000 2.153 221 R HA 0.239 4.580 4.340 0.002 0.000 0.218 221 R C 1.935 178.108 176.300 -0.211 0.000 1.072 221 R CA 1.066 57.049 56.100 -0.194 0.000 0.990 221 R CB -0.947 29.224 30.300 -0.215 0.000 0.889 221 R HN 0.330 nan 8.270 nan 0.000 0.452 222 V N 0.501 120.189 119.914 -0.376 0.000 2.343 222 V HA -0.200 3.921 4.120 0.002 0.000 0.247 222 V C 1.739 177.557 176.094 -0.459 0.000 1.051 222 V CA 1.661 63.643 62.300 -0.530 0.000 1.036 222 V CB -0.562 30.717 31.823 -0.906 0.000 0.654 222 V HN 0.182 nan 8.190 nan 0.000 0.451 223 F N 0.375 120.136 119.950 -0.315 0.000 2.102 223 F HA -0.170 4.357 4.527 0.001 0.000 0.298 223 F C 2.563 178.251 175.800 -0.188 0.000 1.105 223 F CA 1.421 59.297 58.000 -0.208 0.000 1.239 223 F CB -1.000 37.956 39.000 -0.073 0.000 0.991 223 F HN 0.138 nan 8.300 nan 0.000 0.474 224 Q N -0.301 119.520 119.800 0.034 0.000 2.439 224 Q HA -0.162 4.179 4.340 0.002 0.000 0.211 224 Q C 1.825 177.787 176.000 -0.064 0.000 0.978 224 Q CA 0.983 56.779 55.803 -0.012 0.000 0.897 224 Q CB -0.008 28.720 28.738 -0.017 0.000 0.956 224 Q HN 0.364 nan 8.270 nan 0.000 0.483 225 E N -0.542 119.582 120.200 -0.126 0.000 2.201 225 E HA 0.028 4.379 4.350 0.002 0.000 0.193 225 E C 1.891 178.386 176.600 -0.175 0.000 0.957 225 E CA 0.729 57.029 56.400 -0.166 0.000 0.858 225 E CB -0.089 29.461 29.700 -0.249 0.000 0.816 225 E HN 0.286 nan 8.360 nan 0.000 0.475 226 A N 2.145 124.835 122.820 -0.216 0.000 1.892 226 A HA -0.265 4.056 4.320 0.002 0.000 0.218 226 A C 2.177 179.644 177.584 -0.195 0.000 1.188 226 A CA 2.178 54.025 52.037 -0.316 0.000 0.631 226 A CB -0.428 18.235 19.000 -0.563 0.000 0.822 226 A HN 0.141 nan 8.150 nan 0.000 0.447 227 K N -0.888 119.425 120.400 -0.146 0.000 2.031 227 K HA -0.113 4.208 4.320 0.002 0.000 0.205 227 K C 2.413 179.005 176.600 -0.013 0.000 1.049 227 K CA 1.132 57.380 56.287 -0.065 0.000 0.939 227 K CB -0.227 32.262 32.500 -0.020 0.000 0.717 227 K HN 0.402 nan 8.250 nan 0.000 0.438 228 R N 0.778 121.273 120.500 -0.009 0.000 2.091 228 R HA -0.142 4.199 4.340 0.002 0.000 0.238 228 R C 1.453 177.751 176.300 -0.003 0.000 1.136 228 R CA 1.822 57.941 56.100 0.032 0.000 0.959 228 R CB -0.002 30.293 30.300 -0.009 0.000 0.856 228 R HN 0.368 nan 8.270 nan 0.000 0.437 229 Q N 0.315 120.063 119.800 -0.088 0.000 2.280 229 Q HA 0.145 4.486 4.340 0.002 0.000 0.202 229 Q C 0.305 176.187 176.000 -0.197 0.000 0.903 229 Q CA -0.353 55.383 55.803 -0.112 0.000 0.948 229 Q CB 0.380 29.038 28.738 -0.132 0.000 1.058 229 Q HN 0.290 nan 8.270 nan 0.000 0.493 264 F N -0.475 119.569 119.950 0.158 0.000 3.057 264 F HA -0.351 4.177 4.527 0.001 0.000 0.287 264 F C 1.193 177.050 175.800 0.094 0.000 0.834 264 F CA 0.434 58.519 58.000 0.143 0.000 1.147 264 F CB -2.379 36.667 39.000 0.078 0.000 1.245 264 F HN 0.596 nan 8.300 nan 0.000 0.509 265 C N -0.910 118.500 119.300 0.184 0.000 2.504 265 C HA 0.255 4.716 4.460 0.002 0.000 0.279 265 C C 1.654 176.661 174.990 0.028 0.000 1.358 265 C CA -0.063 59.018 59.018 0.105 0.000 1.747 265 C CB -0.550 27.254 27.740 0.107 0.000 2.037 265 C HN 0.343 nan 8.230 nan 0.000 0.503 266 L N 1.589 122.769 121.223 -0.073 0.000 2.461 266 L HA 0.096 4.437 4.340 0.002 0.000 0.272 266 L C 1.596 178.390 176.870 -0.127 0.000 1.197 266 L CA 0.651 55.360 54.840 -0.218 0.000 0.836 266 L CB 0.187 41.890 42.059 -0.593 0.000 1.105 266 L HN 0.115 nan 8.230 nan 0.000 0.477 267 K N 1.577 121.896 120.400 -0.134 0.000 2.057 267 K HA -0.156 4.165 4.320 0.002 0.000 0.206 267 K C 1.284 177.839 176.600 -0.077 0.000 1.050 267 K CA 1.706 57.949 56.287 -0.073 0.000 0.935 267 K CB 0.256 32.710 32.500 -0.078 0.000 0.715 267 K HN 0.738 nan 8.250 nan 0.000 0.439 268 E N -0.688 119.378 120.200 -0.223 0.000 2.338 268 E HA -0.125 4.226 4.350 0.002 0.000 0.197 268 E C 1.486 178.083 176.600 -0.004 0.000 1.007 268 E CA 1.040 57.270 56.400 -0.284 0.000 0.849 268 E CB -0.043 29.105 29.700 -0.920 0.000 0.774 268 E HN 0.521 nan 8.360 nan 0.000 0.506 269 H N -0.544 118.472 119.070 -0.089 0.000 2.486 269 H HA 0.155 4.713 4.556 0.003 0.000 0.287 269 H C 1.535 177.037 175.328 0.291 0.000 1.010 269 H CA 0.400 56.524 56.048 0.127 0.000 1.324 269 H CB 0.374 30.197 29.762 0.102 0.000 1.446 269 H HN -0.012 nan 8.280 nan 0.000 0.537 270 K N 1.101 121.693 120.400 0.320 0.000 2.097 270 K HA -0.079 4.242 4.320 0.002 0.000 0.206 270 K C 2.398 179.115 176.600 0.196 0.000 1.049 270 K CA 0.948 57.375 56.287 0.233 0.000 0.933 270 K CB 0.001 32.582 32.500 0.136 0.000 0.717 270 K HN 0.157 nan 8.250 nan 0.000 0.442 271 A N 1.294 124.218 122.820 0.173 0.000 1.940 271 A HA -0.153 4.168 4.320 0.002 0.000 0.219 271 A C 2.062 179.780 177.584 0.223 0.000 1.176 271 A CA 1.392 53.530 52.037 0.169 0.000 0.631 271 A CB -0.587 18.488 19.000 0.126 0.000 0.814 271 A HN 0.187 nan 8.150 nan 0.000 0.446 272 L N -1.288 120.102 121.223 0.278 0.000 2.240 272 L HA -0.054 4.287 4.340 0.002 0.000 0.211 272 L C 2.487 179.637 176.870 0.466 0.000 1.106 272 L CA 1.373 56.416 54.840 0.339 0.000 0.793 272 L CB -0.278 41.941 42.059 0.266 0.000 0.927 272 L HN 0.442 nan 8.230 nan 0.000 0.446 273 K N 0.035 120.694 120.400 0.432 0.000 2.025 273 K HA -0.135 4.186 4.320 0.002 0.000 0.207 273 K C 2.020 178.733 176.600 0.188 0.000 1.049 273 K CA 1.682 58.138 56.287 0.281 0.000 0.933 273 K CB -0.012 32.382 32.500 -0.177 0.000 0.714 273 K HN 0.099 nan 8.250 nan 0.000 0.438 274 T N 2.035 116.681 114.554 0.152 0.000 2.665 274 T HA -0.170 4.181 4.350 0.002 0.000 0.268 274 T C 1.738 176.522 174.700 0.139 0.000 1.035 274 T CA 1.504 63.680 62.100 0.126 0.000 1.151 274 T CB -0.216 68.743 68.868 0.151 0.000 0.862 274 T HN 0.167 nan 8.240 nan 0.000 0.438 275 L N 0.558 121.884 121.223 0.172 0.000 2.042 275 L HA -0.102 4.239 4.340 0.002 0.000 0.210 275 L C 2.988 179.821 176.870 -0.060 0.000 1.076 275 L CA 1.460 56.349 54.840 0.083 0.000 0.749 275 L CB -1.050 41.079 42.059 0.116 0.000 0.893 275 L HN 0.399 nan 8.230 nan 0.000 0.432 276 G N 0.225 109.091 108.800 0.109 0.000 2.440 276 G HA2 -0.255 3.706 3.960 0.002 0.000 0.218 276 G HA3 -0.255 3.706 3.960 0.002 0.000 0.218 276 G C 1.553 176.502 174.900 0.082 0.000 1.154 276 G CA 0.807 46.004 45.100 0.162 0.000 0.767 276 G HN 0.314 nan 8.290 nan 0.000 0.552 277 I N 0.842 121.457 120.570 0.076 0.000 2.226 277 I HA -0.135 4.036 4.170 0.002 0.000 0.245 277 I C 2.500 178.627 176.117 0.016 0.000 1.100 277 I CA 0.443 61.760 61.300 0.028 0.000 1.374 277 I CB -0.167 37.830 38.000 -0.005 0.000 1.057 277 I HN 0.065 nan 8.210 nan 0.000 0.413 278 I N 0.443 121.016 120.570 0.005 0.000 2.264 278 I HA -0.305 3.866 4.170 0.002 0.000 0.248 278 I C 2.508 178.651 176.117 0.045 0.000 1.111 278 I CA 2.006 63.318 61.300 0.019 0.000 1.382 278 I CB -1.039 36.978 38.000 0.028 0.000 1.060 278 I HN 0.294 nan 8.210 nan 0.000 0.418 279 M N 0.115 119.695 119.600 -0.032 0.000 2.081 279 M HA -0.038 4.443 4.480 0.002 0.000 0.261 279 M C 2.444 178.788 176.300 0.073 0.000 1.075 279 M CA 1.935 57.207 55.300 -0.046 0.000 1.133 279 M CB -1.064 31.418 32.600 -0.198 0.000 1.330 279 M HN 0.271 nan 8.290 nan 0.000 0.414 280 G N -0.247 108.590 108.800 0.062 0.000 2.505 280 G HA2 -0.231 3.730 3.960 0.002 0.000 0.220 280 G HA3 -0.231 3.730 3.960 0.002 0.000 0.220 280 G C 1.500 176.462 174.900 0.103 0.000 1.145 280 G CA 1.819 46.971 45.100 0.087 0.000 0.761 280 G HN 0.403 nan 8.290 nan 0.000 0.571 281 T N 0.213 114.828 114.554 0.102 0.000 2.857 281 T HA -0.002 4.349 4.350 0.002 0.000 0.266 281 T C 1.891 176.712 174.700 0.202 0.000 1.048 281 T CA 0.709 62.866 62.100 0.095 0.000 1.139 281 T CB -0.220 68.679 68.868 0.050 0.000 0.874 281 T HN 0.223 nan 8.240 nan 0.000 0.455 282 F N 2.354 122.387 119.950 0.138 0.000 2.043 282 F HA -0.217 4.311 4.527 0.002 0.000 0.297 282 F C 2.547 178.520 175.800 0.288 0.000 1.121 282 F CA 1.694 59.849 58.000 0.258 0.000 1.199 282 F CB -0.817 38.280 39.000 0.162 0.000 0.968 282 F HN 0.087 nan 8.300 nan 0.000 0.478 283 T N 1.356 116.141 114.554 0.385 0.000 2.720 283 T HA -0.223 4.128 4.350 0.002 0.000 0.268 283 T C 2.174 176.993 174.700 0.197 0.000 1.037 283 T CA 1.748 64.021 62.100 0.288 0.000 1.144 283 T CB -0.595 68.388 68.868 0.191 0.000 0.864 283 T HN 0.242 nan 8.240 nan 0.000 0.444 284 L N 0.204 121.503 121.223 0.126 0.000 2.093 284 L HA -0.074 4.267 4.340 0.002 0.000 0.208 284 L C 2.728 179.608 176.870 0.016 0.000 1.085 284 L CA 0.986 55.864 54.840 0.063 0.000 0.755 284 L CB -0.591 41.478 42.059 0.018 0.000 0.904 284 L HN 0.409 nan 8.230 nan 0.000 0.435 285 C N -2.016 117.269 119.300 -0.025 0.000 2.485 285 C HA -0.075 4.386 4.460 0.002 0.000 0.278 285 C C 2.277 177.032 174.990 -0.393 0.000 1.356 285 C CA -0.112 58.785 59.018 -0.202 0.000 1.747 285 C CB -0.914 26.690 27.740 -0.227 0.000 2.001 285 C HN 0.636 nan 8.230 nan 0.000 0.501 286 W N -0.500 120.690 121.300 -0.183 0.000 2.735 286 W HA 0.256 4.916 4.660 0.001 0.000 0.264 286 W C 2.148 178.691 176.519 0.039 0.000 1.233 286 W CA -0.315 56.920 57.345 -0.183 0.000 1.408 286 W CB -0.541 28.656 29.460 -0.438 0.000 1.038 286 W HN 0.021 nan 8.180 nan 0.000 0.603 287 L N 1.880 123.299 121.223 0.327 0.000 2.042 287 L HA -0.087 4.254 4.340 0.002 0.000 0.210 287 L C -0.834 176.199 176.870 0.272 0.000 1.076 287 L CA 2.249 57.299 54.840 0.350 0.000 0.749 287 L CB -1.735 40.523 42.059 0.332 0.000 0.893 287 L HN -0.227 nan 8.230 nan 0.000 0.432 288 P HA -0.196 nan 4.420 nan 0.000 0.216 288 P C 1.741 179.116 177.300 0.126 0.000 1.153 288 P CA 1.378 64.556 63.100 0.131 0.000 0.848 288 P CB -0.252 31.489 31.700 0.069 0.000 0.787 289 F N -0.689 119.221 119.950 -0.067 0.000 2.095 289 F HA -0.205 4.323 4.527 0.002 0.000 0.298 289 F C 1.897 177.601 175.800 -0.160 0.000 1.104 289 F CA 1.587 59.473 58.000 -0.189 0.000 1.232 289 F CB -0.861 37.929 39.000 -0.350 0.000 0.987 289 F HN -0.222 nan 8.300 nan 0.000 0.475 290 F N 0.298 120.238 119.950 -0.018 0.000 2.325 290 F HA -0.084 4.444 4.527 0.002 0.000 0.299 290 F C 2.158 177.991 175.800 0.056 0.000 1.090 290 F CA 1.107 59.018 58.000 -0.148 0.000 1.392 290 F CB -0.452 38.258 39.000 -0.484 0.000 1.053 290 F HN -0.021 nan 8.300 nan 0.000 0.521 291 I N -1.247 119.494 120.570 0.286 0.000 2.202 291 I HA -0.243 3.928 4.170 0.002 0.000 0.242 291 I C 2.266 178.454 176.117 0.119 0.000 1.091 291 I CA 0.785 62.239 61.300 0.256 0.000 1.368 291 I CB -0.485 37.642 38.000 0.211 0.000 1.058 291 I HN -0.137 nan 8.210 nan 0.000 0.410 292 V N 1.007 120.939 119.914 0.030 0.000 2.343 292 V HA -0.294 3.827 4.120 0.002 0.000 0.247 292 V C 2.158 178.240 176.094 -0.020 0.000 1.051 292 V CA 2.137 64.437 62.300 0.000 0.000 1.036 292 V CB -0.829 30.980 31.823 -0.024 0.000 0.654 292 V HN 0.447 nan 8.190 nan 0.000 0.451 293 N N -0.199 118.395 118.700 -0.178 0.000 2.205 293 N HA -0.135 4.606 4.740 0.002 0.000 0.186 293 N C 1.548 177.086 175.510 0.046 0.000 1.015 293 N CA 1.482 54.456 53.050 -0.127 0.000 0.862 293 N CB -0.170 38.091 38.487 -0.377 0.000 0.986 293 N HN 0.498 nan 8.380 nan 0.000 0.429 294 I N -1.112 119.512 120.570 0.090 0.000 2.703 294 I HA -0.075 4.096 4.170 0.002 0.000 0.259 294 I C 1.192 177.357 176.117 0.081 0.000 1.151 294 I CA 0.369 61.737 61.300 0.114 0.000 1.470 294 I CB 0.302 38.394 38.000 0.153 0.000 1.112 294 I HN -0.053 nan 8.210 nan 0.000 0.437 295 V N -0.112 119.851 119.914 0.081 0.000 3.510 295 V HA -0.199 3.922 4.120 0.002 0.000 0.270 295 V C 2.019 178.158 176.094 0.076 0.000 1.201 295 V CA 1.184 63.522 62.300 0.063 0.000 1.166 295 V CB -0.969 30.890 31.823 0.059 0.000 0.825 295 V HN 0.451 nan 8.190 nan 0.000 0.484 296 H N -0.407 118.658 119.070 -0.008 0.000 2.482 296 H HA 0.010 4.567 4.556 0.002 0.000 0.286 296 H C 1.950 177.268 175.328 -0.016 0.000 1.017 296 H CA 1.335 57.367 56.048 -0.026 0.000 1.322 296 H CB 0.276 30.001 29.762 -0.062 0.000 1.426 296 H HN 0.197 nan 8.280 nan 0.000 0.546 297 V N 0.574 120.477 119.914 -0.017 0.000 2.667 297 V HA -0.142 3.979 4.120 0.002 0.000 0.252 297 V C 1.738 177.792 176.094 -0.066 0.000 1.065 297 V CA 1.074 63.346 62.300 -0.047 0.000 1.083 297 V CB -0.272 31.567 31.823 0.027 0.000 0.692 297 V HN 0.450 nan 8.190 nan 0.000 0.468 298 I N -0.764 119.777 120.570 -0.047 0.000 2.876 298 I HA 0.090 4.261 4.170 0.002 0.000 0.264 298 I C 0.847 176.928 176.117 -0.060 0.000 1.204 298 I CA 0.864 62.139 61.300 -0.041 0.000 1.485 298 I CB -0.795 37.194 38.000 -0.019 0.000 1.103 298 I HN 0.374 nan 8.210 nan 0.000 0.446 299 Q N 0.785 120.530 119.800 -0.092 0.000 2.795 299 Q HA 0.078 4.419 4.340 0.002 0.000 0.220 299 Q C -0.646 175.253 176.000 -0.168 0.000 0.795 299 Q CA -0.189 55.555 55.803 -0.098 0.000 0.875 299 Q CB 1.350 30.058 28.738 -0.050 0.000 1.467 299 Q HN 0.305 nan 8.270 nan 0.000 0.449 300 D N 0.276 120.519 120.400 -0.262 0.000 2.346 300 D HA -0.070 4.571 4.640 0.002 0.000 0.248 300 D C 0.410 176.605 176.300 -0.174 0.000 1.173 300 D CA 0.176 53.884 54.000 -0.487 0.000 0.878 300 D CB 0.149 40.621 40.800 -0.546 0.000 0.919 300 D HN 0.327 nan 8.370 nan 0.000 0.513 301 N N -0.334 118.323 118.700 -0.072 0.000 2.351 301 N HA 0.098 4.839 4.740 0.002 0.000 0.254 301 N C 0.252 175.774 175.510 0.020 0.000 1.241 301 N CA -0.366 52.678 53.050 -0.010 0.000 0.883 301 N CB 0.397 38.868 38.487 -0.027 0.000 1.202 301 N HN 0.157 nan 8.380 nan 0.000 0.512 302 L N 0.098 121.352 121.223 0.051 0.000 3.039 302 L HA 0.540 4.881 4.340 0.002 0.000 0.269 302 L C -0.629 176.281 176.870 0.067 0.000 1.169 302 L CA 0.119 54.988 54.840 0.049 0.000 0.986 302 L CB 0.316 42.397 42.059 0.036 0.000 1.377 302 L HN 0.260 nan 8.230 nan 0.000 0.575 303 I N -1.890 118.736 120.570 0.092 0.000 2.586 303 I HA 0.431 4.602 4.170 0.002 0.000 0.288 303 I C -0.556 175.588 176.117 0.045 0.000 1.147 303 I CA -1.037 60.306 61.300 0.070 0.000 1.047 303 I CB 1.546 39.594 38.000 0.080 0.000 1.244 303 I HN -0.153 nan 8.210 nan 0.000 0.429 304 R N 3.885 124.411 120.500 0.043 0.000 2.522 304 R HA 0.076 4.417 4.340 0.002 0.000 0.284 304 R C 1.391 177.716 176.300 0.042 0.000 1.032 304 R CA -0.246 55.876 56.100 0.036 0.000 1.049 304 R CB 0.552 30.875 30.300 0.039 0.000 0.956 304 R HN 0.720 nan 8.270 nan 0.000 0.422 305 K N 2.872 123.284 120.400 0.020 0.000 2.127 305 K HA -0.318 4.003 4.320 0.002 0.000 0.208 305 K C 0.603 177.273 176.600 0.116 0.000 1.047 305 K CA 2.121 58.434 56.287 0.042 0.000 0.927 305 K CB 0.126 32.636 32.500 0.017 0.000 0.716 305 K HN 0.631 nan 8.250 nan 0.000 0.450 306 E N 0.101 120.352 120.200 0.084 0.000 2.153 306 E HA -0.147 4.204 4.350 0.002 0.000 0.194 306 E C 1.964 178.614 176.600 0.083 0.000 0.988 306 E CA 1.318 57.766 56.400 0.080 0.000 0.811 306 E CB 0.092 29.826 29.700 0.056 0.000 0.746 306 E HN 0.144 nan 8.360 nan 0.000 0.466 307 V N 0.421 120.387 119.914 0.087 0.000 2.323 307 V HA -0.249 3.872 4.120 0.002 0.000 0.244 307 V C 1.940 178.103 176.094 0.115 0.000 1.041 307 V CA 1.667 64.016 62.300 0.083 0.000 1.025 307 V CB -0.574 31.292 31.823 0.072 0.000 0.656 307 V HN 0.277 nan 8.190 nan 0.000 0.451 308 Y N 0.821 121.122 120.300 0.001 0.000 2.081 308 Y HA -0.293 4.258 4.550 0.002 0.000 0.280 308 Y C 2.283 178.238 175.900 0.092 0.000 1.163 308 Y CA 2.046 60.153 58.100 0.012 0.000 1.135 308 Y CB -0.302 38.122 38.460 -0.059 0.000 0.970 308 Y HN 0.170 nan 8.280 nan 0.000 0.498 309 I N -0.887 119.789 120.570 0.176 0.000 2.226 309 I HA -0.302 3.869 4.170 0.002 0.000 0.245 309 I C 2.332 178.508 176.117 0.098 0.000 1.100 309 I CA 1.267 62.650 61.300 0.138 0.000 1.374 309 I CB -0.568 37.530 38.000 0.164 0.000 1.057 309 I HN 0.305 nan 8.210 nan 0.000 0.413 310 L N 0.983 122.237 121.223 0.052 0.000 1.955 310 L HA -0.223 4.118 4.340 0.002 0.000 0.213 310 L C 2.377 179.238 176.870 -0.015 0.000 1.072 310 L CA 1.975 56.828 54.840 0.022 0.000 0.755 310 L CB -0.590 41.479 42.059 0.016 0.000 0.888 310 L HN 0.114 nan 8.230 nan 0.000 0.432 311 L N -0.425 120.778 121.223 -0.034 0.000 2.079 311 L HA -0.269 4.072 4.340 0.002 0.000 0.210 311 L C 2.406 179.115 176.870 -0.267 0.000 1.081 311 L CA 1.909 56.702 54.840 -0.079 0.000 0.752 311 L CB -0.887 41.180 42.059 0.013 0.000 0.896 311 L HN 0.543 nan 8.230 nan 0.000 0.433 312 N N -0.630 117.865 118.700 -0.342 0.000 2.069 312 N HA -0.235 4.506 4.740 0.002 0.000 0.191 312 N C 1.771 176.654 175.510 -1.045 0.000 1.031 312 N CA 1.295 53.764 53.050 -0.967 0.000 0.852 312 N CB -0.133 37.829 38.487 -0.875 0.000 1.018 312 N HN 0.222 nan 8.380 nan 0.000 0.423 313 W N 1.092 121.976 121.300 -0.695 0.000 2.519 313 W HA 0.132 4.793 4.660 0.002 0.000 0.266 313 W C 1.806 178.083 176.519 -0.403 0.000 1.253 313 W CA 0.231 57.282 57.345 -0.490 0.000 1.274 313 W CB -0.086 29.258 29.460 -0.194 0.000 1.114 313 W HN 0.129 nan 8.180 nan 0.000 0.596 314 I N -0.371 120.042 120.570 -0.261 0.000 2.226 314 I HA -0.221 3.950 4.170 0.002 0.000 0.245 314 I C 2.684 178.434 176.117 -0.611 0.000 1.100 314 I CA 1.460 62.587 61.300 -0.289 0.000 1.374 314 I CB -1.200 36.655 38.000 -0.240 0.000 1.057 314 I HN 0.037 nan 8.210 nan 0.000 0.413 315 G N 0.649 108.726 108.800 -1.205 0.000 2.545 315 G HA2 -0.303 3.658 3.960 0.002 0.000 0.217 315 G HA3 -0.303 3.658 3.960 0.002 0.000 0.217 315 G C 1.454 175.702 174.900 -1.086 0.000 1.218 315 G CA 0.868 44.549 45.100 -2.366 0.000 0.787 315 G HN 0.195 nan 8.290 nan 0.000 0.571 316 Y N 0.418 120.225 120.300 -0.821 0.000 2.102 316 Y HA -0.102 4.449 4.550 0.001 0.000 0.280 316 Y C 3.099 178.813 175.900 -0.310 0.000 1.178 316 Y CA 0.388 58.200 58.100 -0.479 0.000 1.146 316 Y CB -1.229 36.773 38.460 -0.765 0.000 0.968 316 Y HN 0.053 nan 8.280 nan 0.000 0.504 317 V N 1.362 121.206 119.914 -0.116 0.000 3.078 317 V HA -0.216 3.905 4.120 0.002 0.000 0.265 317 V C 2.174 178.051 176.094 -0.363 0.000 1.122 317 V CA 1.516 63.711 62.300 -0.176 0.000 1.141 317 V CB -0.748 31.049 31.823 -0.043 0.000 0.735 317 V HN 0.575 nan 8.190 nan 0.000 0.498 318 N N -0.401 118.208 118.700 -0.150 0.000 2.381 318 N HA -0.133 4.608 4.740 0.002 0.000 0.182 318 N C 1.731 177.265 175.510 0.039 0.000 1.025 318 N CA 1.343 54.435 53.050 0.070 0.000 0.888 318 N CB 0.123 38.670 38.487 0.100 0.000 0.965 318 N HN 0.411 nan 8.380 nan 0.000 0.438 319 S N -0.399 115.295 115.700 -0.010 0.000 2.423 319 S HA 0.003 4.474 4.470 0.002 0.000 0.231 319 S C 1.725 176.286 174.600 -0.064 0.000 1.014 319 S CA 0.915 59.138 58.200 0.038 0.000 0.965 319 S CB -0.266 62.963 63.200 0.049 0.000 0.785 319 S HN 0.611 nan 8.310 nan 0.000 0.495 320 G N -0.347 108.293 108.800 -0.267 0.000 2.572 320 G HA2 -0.005 3.956 3.960 0.002 0.000 0.216 320 G HA3 -0.005 3.956 3.960 0.002 0.000 0.216 320 G C 0.863 175.610 174.900 -0.256 0.000 1.133 320 G CA 0.126 45.047 45.100 -0.298 0.000 0.791 320 G HN 0.462 nan 8.290 nan 0.000 0.538 321 F N 1.108 121.061 119.950 0.005 0.000 2.335 321 F HA 0.146 4.674 4.527 0.001 0.000 0.296 321 F C 2.312 178.044 175.800 -0.112 0.000 1.091 321 F CA 0.072 58.052 58.000 -0.034 0.000 1.399 321 F CB -0.485 38.500 39.000 -0.025 0.000 1.067 321 F HN -0.007 nan 8.300 nan 0.000 0.520 322 N N 0.880 119.594 118.700 0.024 0.000 2.061 322 N HA -0.155 4.586 4.740 0.002 0.000 0.193 322 N C -0.817 174.359 175.510 -0.557 0.000 1.030 322 N CA 1.645 54.524 53.050 -0.285 0.000 0.856 322 N CB -1.743 36.683 38.487 -0.102 0.000 1.023 322 N HN 0.157 nan 8.380 nan 0.000 0.424 323 P HA -0.073 nan 4.420 nan 0.000 0.215 323 P C 1.702 179.047 177.300 0.076 0.000 1.157 323 P CA 0.838 63.974 63.100 0.061 0.000 0.863 323 P CB 0.011 31.736 31.700 0.041 0.000 0.787 324 L N -1.213 120.039 121.223 0.047 0.000 2.042 324 L HA -0.188 4.153 4.340 0.002 0.000 0.210 324 L C 2.337 179.234 176.870 0.044 0.000 1.076 324 L CA 1.526 56.421 54.840 0.091 0.000 0.749 324 L CB -0.760 41.369 42.059 0.117 0.000 0.893 324 L HN -0.049 nan 8.230 nan 0.000 0.432 325 I N -1.685 118.829 120.570 -0.094 0.000 2.614 325 I HA -0.283 3.888 4.170 0.002 0.000 0.258 325 I C 1.927 177.989 176.117 -0.091 0.000 1.189 325 I CA 0.901 62.118 61.300 -0.138 0.000 1.462 325 I CB -0.180 37.678 38.000 -0.237 0.000 1.092 325 I HN 0.187 nan 8.210 nan 0.000 0.442 326 Y N -0.366 119.935 120.300 0.002 0.000 2.516 326 Y HA -0.064 4.488 4.550 0.002 0.000 0.291 326 Y C 2.372 178.254 175.900 -0.030 0.000 1.131 326 Y CA -0.354 57.658 58.100 -0.146 0.000 1.281 326 Y CB -1.191 37.013 38.460 -0.427 0.000 1.013 326 Y HN 0.211 nan 8.280 nan 0.000 0.554 327 C N -0.002 119.446 119.300 0.248 0.000 2.503 327 C HA -0.048 4.413 4.460 0.002 0.000 0.285 327 C C 2.381 177.443 174.990 0.121 0.000 1.473 327 C CA 0.230 59.372 59.018 0.207 0.000 1.708 327 C CB -1.628 26.262 27.740 0.249 0.000 1.638 327 C HN 0.478 nan 8.230 nan 0.000 0.585 328 R N 0.814 121.376 120.500 0.104 0.000 2.075 328 R HA -0.032 4.309 4.340 0.002 0.000 0.226 328 R C 1.423 177.773 176.300 0.084 0.000 1.114 328 R CA 0.762 56.909 56.100 0.078 0.000 0.972 328 R CB -0.284 30.056 30.300 0.068 0.000 0.869 328 R HN 0.403 nan 8.270 nan 0.000 0.437 329 S N 1.335 117.105 115.700 0.118 0.000 2.516 329 S HA 0.078 4.549 4.470 0.002 0.000 0.282 329 S C -1.828 172.818 174.600 0.076 0.000 1.286 329 S CA -1.529 56.751 58.200 0.133 0.000 1.066 329 S CB 1.028 64.396 63.200 0.279 0.000 0.884 329 S HN -0.108 nan 8.310 nan 0.000 0.491 330 P HA -0.040 nan 4.420 nan 0.000 0.216 330 P C 0.701 177.952 177.300 -0.081 0.000 1.153 330 P CA 1.080 64.167 63.100 -0.022 0.000 0.848 330 P CB 0.022 31.706 31.700 -0.026 0.000 0.787 331 D N -1.652 118.693 120.400 -0.092 0.000 2.158 331 D HA -0.171 4.470 4.640 0.002 0.000 0.197 331 D C 1.518 177.596 176.300 -0.371 0.000 0.995 331 D CA 1.249 55.118 54.000 -0.218 0.000 0.846 331 D CB -0.663 40.003 40.800 -0.223 0.000 0.941 331 D HN 0.149 nan 8.370 nan 0.000 0.456 332 F N -0.059 119.702 119.950 -0.315 0.000 2.219 332 F HA 0.139 4.667 4.527 0.002 0.000 0.294 332 F C 2.429 177.782 175.800 -0.745 0.000 1.086 332 F CA 0.454 58.100 58.000 -0.590 0.000 1.330 332 F CB -0.116 38.543 39.000 -0.568 0.000 1.047 332 F HN -0.245 nan 8.300 nan 0.000 0.495 333 R N 0.646 121.014 120.500 -0.220 0.000 2.103 333 R HA -0.191 4.150 4.340 0.002 0.000 0.242 333 R C 2.075 178.309 176.300 -0.111 0.000 1.142 333 R CA 1.813 57.844 56.100 -0.115 0.000 0.960 333 R CB -0.527 29.766 30.300 -0.012 0.000 0.858 333 R HN 0.281 nan 8.270 nan 0.000 0.439 334 I N -0.016 120.452 120.570 -0.170 0.000 2.353 334 I HA -0.182 3.989 4.170 0.002 0.000 0.248 334 I C 2.424 178.378 176.117 -0.272 0.000 1.119 334 I CA 1.063 62.254 61.300 -0.183 0.000 1.417 334 I CB -0.236 37.639 38.000 -0.207 0.000 1.078 334 I HN 0.269 nan 8.210 nan 0.000 0.421 335 A N 0.850 123.423 122.820 -0.411 0.000 1.898 335 A HA -0.156 4.165 4.320 0.002 0.000 0.216 335 A C 2.032 179.588 177.584 -0.048 0.000 1.181 335 A CA 1.317 53.052 52.037 -0.504 0.000 0.620 335 A CB -0.760 17.911 19.000 -0.550 0.000 0.819 335 A HN 0.303 nan 8.150 nan 0.000 0.442 336 F N 0.458 120.399 119.950 -0.015 0.000 2.171 336 F HA -0.156 4.373 4.527 0.004 0.000 0.300 336 F C 2.606 178.427 175.800 0.035 0.000 1.090 336 F CA 1.063 59.090 58.000 0.046 0.000 1.293 336 F CB -1.187 37.868 39.000 0.092 0.000 1.013 336 F HN 0.354 nan 8.300 nan 0.000 0.486 337 Q N -0.250 119.657 119.800 0.178 0.000 2.016 337 Q HA -0.186 4.155 4.340 0.002 0.000 0.200 337 Q C 2.325 178.381 176.000 0.093 0.000 0.978 337 Q CA 1.345 57.217 55.803 0.115 0.000 0.833 337 Q CB -0.362 28.412 28.738 0.060 0.000 0.895 337 Q HN 0.269 nan 8.270 nan 0.000 0.427 338 E N 0.951 121.179 120.200 0.048 0.000 2.070 338 E HA -0.213 4.138 4.350 0.002 0.000 0.197 338 E C 2.053 178.754 176.600 0.169 0.000 1.004 338 E CA 1.140 57.603 56.400 0.104 0.000 0.805 338 E CB -0.192 29.584 29.700 0.127 0.000 0.744 338 E HN 0.322 nan 8.360 nan 0.000 0.451 339 L N 0.252 121.600 121.223 0.209 0.000 1.989 339 L HA -0.218 4.123 4.340 0.002 0.000 0.211 339 L C 2.768 179.719 176.870 0.135 0.000 1.071 339 L CA 1.100 56.058 54.840 0.197 0.000 0.749 339 L CB -0.506 41.684 42.059 0.218 0.000 0.890 339 L HN 0.178 nan 8.230 nan 0.000 0.431 340 L N -1.111 120.195 121.223 0.138 0.000 2.362 340 L HA -0.162 4.179 4.340 0.002 0.000 0.219 340 L C 1.124 178.061 176.870 0.111 0.000 1.134 340 L CA 0.185 55.104 54.840 0.131 0.000 0.807 340 L CB -0.319 41.836 42.059 0.161 0.000 0.927 340 L HN 0.583 nan 8.230 nan 0.000 0.447 341 C N -1.663 117.698 119.300 0.102 0.000 4.552 341 C HA -0.167 4.294 4.460 0.002 0.000 0.268 341 C C 1.071 176.104 174.990 0.071 0.000 1.288 341 C CA -0.927 58.140 59.018 0.082 0.000 1.776 341 C CB -3.152 24.631 27.740 0.071 0.000 1.415 341 C HN 0.330 nan 8.230 nan 0.000 0.729 1003 I N -0.055 120.463 120.570 -0.086 0.000 2.264 1003 I HA 0.020 4.191 4.170 0.002 0.000 0.248 1003 I C 1.274 177.201 176.117 -0.317 0.000 1.111 1003 I CA 1.446 62.598 61.300 -0.247 0.000 1.382 1003 I CB -0.591 37.148 38.000 -0.436 0.000 1.060 1003 I HN 0.536 nan 8.210 nan 0.000 0.418 1004 F N 0.762 120.675 119.950 -0.062 0.000 2.163 1004 F HA -0.098 4.440 4.527 0.019 0.000 0.297 1004 F C 2.500 178.357 175.800 0.094 0.000 1.094 1004 F CA 1.561 59.614 58.000 0.088 0.000 1.290 1004 F CB -0.816 38.229 39.000 0.075 0.000 1.017 1004 F HN 0.086 nan 8.300 nan 0.000 0.483 1005 E N -0.125 120.127 120.200 0.088 0.000 2.152 1005 E HA -0.208 4.143 4.350 0.002 0.000 0.192 1005 E C 2.216 178.700 176.600 -0.193 0.000 0.983 1005 E CA 0.951 57.299 56.400 -0.087 0.000 0.818 1005 E CB -0.232 29.356 29.700 -0.187 0.000 0.758 1005 E HN 0.392 nan 8.360 nan 0.000 0.467 1006 M N 0.711 120.135 119.600 -0.293 0.000 2.086 1006 M HA -0.176 4.305 4.480 0.002 0.000 0.261 1006 M C 2.057 178.249 176.300 -0.181 0.000 1.067 1006 M CA 1.517 56.583 55.300 -0.390 0.000 1.116 1006 M CB -0.016 32.337 32.600 -0.410 0.000 1.348 1006 M HN 0.140 nan 8.290 nan 0.000 0.407 1007 L N -0.223 120.927 121.223 -0.122 0.000 2.201 1007 L HA -0.186 4.155 4.340 0.002 0.000 0.212 1007 L C 2.585 179.381 176.870 -0.124 0.000 1.105 1007 L CA 0.817 55.588 54.840 -0.115 0.000 0.775 1007 L CB -0.588 41.367 42.059 -0.173 0.000 0.913 1007 L HN 0.327 nan 8.230 nan 0.000 0.440 1008 R N 0.952 121.373 120.500 -0.132 0.000 2.075 1008 R HA -0.105 4.236 4.340 0.002 0.000 0.232 1008 R C 1.986 178.215 176.300 -0.119 0.000 1.126 1008 R CA 1.627 57.600 56.100 -0.211 0.000 0.963 1008 R CB -0.492 29.695 30.300 -0.188 0.000 0.858 1008 R HN 0.261 nan 8.270 nan 0.000 0.435 1009 I N 0.451 120.981 120.570 -0.067 0.000 2.286 1009 I HA -0.205 3.966 4.170 0.002 0.000 0.245 1009 I C 1.451 177.599 176.117 0.052 0.000 1.104 1009 I CA 1.429 62.733 61.300 0.006 0.000 1.397 1009 I CB -0.303 37.754 38.000 0.096 0.000 1.072 1009 I HN 0.159 nan 8.210 nan 0.000 0.417 1010 D N 0.517 120.970 120.400 0.088 0.000 2.144 1010 D HA -0.133 4.508 4.640 0.002 0.000 0.200 1010 D C 2.135 178.483 176.300 0.080 0.000 0.978 1010 D CA 1.130 55.199 54.000 0.115 0.000 0.833 1010 D CB -0.045 40.852 40.800 0.162 0.000 0.961 1010 D HN 0.337 nan 8.370 nan 0.000 0.470 1011 E N -0.009 120.219 120.200 0.047 0.000 2.276 1011 E HA 0.206 4.557 4.350 0.002 0.000 0.193 1011 E C 1.376 177.990 176.600 0.022 0.000 0.983 1011 E CA 0.572 57.018 56.400 0.077 0.000 0.861 1011 E CB 0.682 30.448 29.700 0.111 0.000 0.817 1011 E HN 0.199 nan 8.360 nan 0.000 0.485 1012 G N 1.553 110.330 108.800 -0.038 0.000 2.693 1012 G HA2 -0.225 3.736 3.960 0.002 0.000 0.226 1012 G HA3 -0.225 3.736 3.960 0.002 0.000 0.226 1012 G C -0.912 173.936 174.900 -0.086 0.000 1.354 1012 G CA -0.091 44.967 45.100 -0.071 0.000 0.873 1012 G HN 0.190 nan 8.290 nan 0.000 0.562 1013 L N -0.139 121.028 121.223 -0.093 0.000 2.464 1013 L HA 0.894 5.235 4.340 0.002 0.000 0.266 1013 L C -0.598 176.230 176.870 -0.070 0.000 0.965 1013 L CA -0.751 54.047 54.840 -0.070 0.000 0.833 1013 L CB 1.902 43.912 42.059 -0.081 0.000 1.296 1013 L HN 0.836 nan 8.230 nan 0.000 0.405 1014 R N 5.512 126.005 120.500 -0.012 0.000 2.564 1014 R HA 0.452 4.793 4.340 0.002 0.000 0.284 1014 R C -0.304 176.056 176.300 0.100 0.000 1.031 1014 R CA -0.519 55.580 56.100 -0.002 0.000 0.904 1014 R CB 1.712 31.938 30.300 -0.124 0.000 1.199 1014 R HN 0.775 nan 8.270 nan 0.000 0.443 1015 L N 0.770 122.035 121.223 0.070 0.000 2.585 1015 L HA 0.257 4.598 4.340 0.002 0.000 0.226 1015 L C 0.802 177.727 176.870 0.092 0.000 1.113 1015 L CA 0.697 55.582 54.840 0.075 0.000 0.876 1015 L CB 0.104 42.188 42.059 0.041 0.000 1.072 1015 L HN 0.277 nan 8.230 nan 0.000 0.468 1016 K N 0.034 120.504 120.400 0.116 0.000 2.267 1016 K HA 0.499 4.820 4.320 0.002 0.000 0.236 1016 K C -0.296 176.419 176.600 0.192 0.000 1.030 1016 K CA -0.929 55.431 56.287 0.123 0.000 0.930 1016 K CB 1.725 34.288 32.500 0.105 0.000 1.182 1016 K HN -0.135 nan 8.250 nan 0.000 0.474 1017 I N 2.311 122.971 120.570 0.151 0.000 2.441 1017 I HA 0.129 4.300 4.170 0.002 0.000 0.287 1017 I C -0.527 175.751 176.117 0.269 0.000 1.049 1017 I CA 0.012 61.404 61.300 0.152 0.000 1.381 1017 I CB 0.231 38.258 38.000 0.045 0.000 1.409 1017 I HN 0.532 nan 8.210 nan 0.000 0.523 1018 Y N 4.173 124.575 120.300 0.169 0.000 2.689 1018 Y HA 0.632 5.180 4.550 -0.003 0.000 0.333 1018 Y C -1.552 174.433 175.900 0.142 0.000 1.190 1018 Y CA -1.607 56.581 58.100 0.146 0.000 1.063 1018 Y CB 1.044 39.556 38.460 0.087 0.000 1.294 1018 Y HN 0.245 nan 8.280 nan 0.000 0.466 1019 K N 2.558 123.077 120.400 0.197 0.000 2.339 1019 K HA 0.239 4.560 4.320 0.002 0.000 0.264 1019 K C -1.098 175.584 176.600 0.136 0.000 0.986 1019 K CA -0.870 55.411 56.287 -0.009 0.000 0.866 1019 K CB 0.996 33.442 32.500 -0.090 0.000 1.103 1019 K HN 0.752 nan 8.250 nan 0.000 0.441 1020 D N 1.173 121.602 120.400 0.048 0.000 2.372 1020 D HA -0.085 4.556 4.640 0.002 0.000 0.243 1020 D C 0.929 177.254 176.300 0.041 0.000 1.297 1020 D CA -0.175 53.907 54.000 0.137 0.000 0.958 1020 D CB 0.306 41.180 40.800 0.124 0.000 1.114 1020 D HN 0.548 nan 8.370 nan 0.000 0.496 1021 T N -2.341 112.244 114.554 0.053 0.000 2.881 1021 T HA -0.159 4.192 4.350 0.002 0.000 0.270 1021 T C 1.319 175.978 174.700 -0.068 0.000 1.068 1021 T CA 0.895 62.999 62.100 0.006 0.000 1.131 1021 T CB -0.253 68.635 68.868 0.034 0.000 0.871 1021 T HN 0.417 nan 8.240 nan 0.000 0.479 1022 E N 1.454 121.588 120.200 -0.111 0.000 2.153 1022 E HA 0.029 4.380 4.350 0.002 0.000 0.194 1022 E C 2.005 178.312 176.600 -0.489 0.000 0.988 1022 E CA 1.075 57.295 56.400 -0.300 0.000 0.811 1022 E CB -0.527 28.942 29.700 -0.384 0.000 0.746 1022 E HN 0.769 nan 8.360 nan 0.000 0.466 1023 G N -0.025 108.536 108.800 -0.397 0.000 2.184 1023 G HA2 -0.209 3.752 3.960 0.002 0.000 0.206 1023 G HA3 -0.209 3.752 3.960 0.002 0.000 0.206 1023 G C -0.155 174.486 174.900 -0.432 0.000 0.995 1023 G CA -0.098 44.768 45.100 -0.389 0.000 0.651 1023 G HN 0.092 nan 8.290 nan 0.000 0.511 1024 Y N -0.091 120.098 120.300 -0.184 0.000 2.300 1024 Y HA 0.619 5.170 4.550 0.001 0.000 0.328 1024 Y C 0.610 176.354 175.900 -0.260 0.000 1.270 1024 Y CA -1.347 56.626 58.100 -0.212 0.000 1.352 1024 Y CB 0.322 38.716 38.460 -0.110 0.000 1.286 1024 Y HN 0.124 nan 8.280 nan 0.000 0.536 1025 Y N 0.962 121.294 120.300 0.053 0.000 2.452 1025 Y HA 0.317 4.867 4.550 0.001 0.000 0.348 1025 Y C 0.321 176.099 175.900 -0.204 0.000 0.985 1025 Y CA -0.407 57.639 58.100 -0.090 0.000 1.214 1025 Y CB 0.352 38.780 38.460 -0.053 0.000 1.136 1025 Y HN 0.477 nan 8.280 nan 0.000 0.523 1026 T N 4.958 119.349 114.554 -0.272 0.000 2.924 1026 T HA 0.718 5.069 4.350 0.002 0.000 0.291 1026 T C -0.966 173.463 174.700 -0.452 0.000 1.045 1026 T CA -0.733 61.107 62.100 -0.433 0.000 1.015 1026 T CB 2.078 70.577 68.868 -0.615 0.000 1.103 1026 T HN 0.529 nan 8.240 nan 0.000 0.496 1027 I N -0.421 120.090 120.570 -0.099 0.000 3.102 1027 I HA 0.593 4.764 4.170 0.002 0.000 0.310 1027 I C 0.549 176.827 176.117 0.269 0.000 1.246 1027 I CA 0.129 61.515 61.300 0.142 0.000 0.979 1027 I CB 1.591 39.675 38.000 0.138 0.000 1.267 1027 I HN 0.899 nan 8.210 nan 0.000 0.451 1028 G N 4.553 113.513 108.800 0.268 0.000 2.527 1028 G HA2 -0.268 3.693 3.960 0.002 0.000 0.268 1028 G HA3 -0.268 3.693 3.960 0.002 0.000 0.268 1028 G C -0.091 174.920 174.900 0.185 0.000 1.175 1028 G CA 0.212 45.431 45.100 0.198 0.000 0.962 1028 G HN 0.729 nan 8.290 nan 0.000 0.560 1029 I N 2.892 123.542 120.570 0.133 0.000 2.261 1029 I HA 0.439 4.610 4.170 0.002 0.000 0.285 1029 I C 1.495 177.802 176.117 0.316 0.000 1.113 1029 I CA 0.812 62.137 61.300 0.042 0.000 1.377 1029 I CB -0.174 37.551 38.000 -0.458 0.000 1.530 1029 I HN 1.789 nan 8.210 nan 0.000 0.607 1030 G N 2.513 111.530 108.800 0.362 0.000 2.221 1030 G HA2 -0.334 3.627 3.960 0.002 0.000 0.265 1030 G HA3 -0.334 3.627 3.960 0.002 0.000 0.265 1030 G C 0.137 175.222 174.900 0.307 0.000 1.041 1030 G CA -0.009 45.326 45.100 0.391 0.000 0.807 1030 G HN 0.732 nan 8.290 nan 0.000 0.502 1031 H N -0.367 118.808 119.070 0.174 0.000 2.800 1031 H HA 0.548 5.115 4.556 0.017 0.000 0.291 1031 H C 0.462 175.791 175.328 0.000 0.000 1.076 1031 H CA -0.790 55.300 56.048 0.069 0.000 1.452 1031 H CB 0.669 30.491 29.762 0.100 0.000 1.461 1031 H HN 0.345 nan 8.280 nan 0.000 0.488 1032 L N 5.777 126.707 121.223 -0.489 0.000 2.349 1032 L HA 0.171 4.512 4.340 0.002 0.000 0.275 1032 L C -0.335 176.192 176.870 -0.571 0.000 1.115 1032 L CA 0.286 54.884 54.840 -0.404 0.000 0.820 1032 L CB 0.468 42.370 42.059 -0.262 0.000 1.135 1032 L HN 0.882 nan 8.230 nan 0.000 0.445 1033 L N 2.286 123.331 121.223 -0.297 0.000 2.453 1033 L HA 0.349 4.690 4.340 0.002 0.000 0.190 1033 L C 0.534 177.336 176.870 -0.114 0.000 1.093 1033 L CA 0.414 55.141 54.840 -0.188 0.000 0.834 1033 L CB -0.007 42.004 42.059 -0.080 0.000 1.090 1033 L HN 0.710 nan 8.230 nan 0.000 0.489 1034 T N -1.257 113.262 114.554 -0.059 0.000 3.041 1034 T HA 0.239 4.590 4.350 0.002 0.000 0.321 1034 T C -0.050 174.622 174.700 -0.046 0.000 1.184 1034 T CA -0.611 61.458 62.100 -0.051 0.000 1.050 1034 T CB 1.736 70.602 68.868 -0.003 0.000 1.159 1034 T HN 0.037 nan 8.240 nan 0.000 0.469 1035 K N 1.479 121.770 120.400 -0.182 0.000 2.288 1035 K HA 0.065 4.386 4.320 0.002 0.000 0.201 1035 K C 1.074 177.697 176.600 0.037 0.000 1.048 1035 K CA 0.484 56.589 56.287 -0.305 0.000 0.956 1035 K CB 0.017 32.198 32.500 -0.532 0.000 0.746 1035 K HN 0.691 nan 8.250 nan 0.000 0.461 1036 S N 2.153 117.883 115.700 0.050 0.000 2.549 1036 S HA 0.093 4.564 4.470 0.002 0.000 0.283 1036 S C -1.706 173.005 174.600 0.185 0.000 1.320 1036 S CA -1.206 57.052 58.200 0.097 0.000 1.058 1036 S CB 0.712 63.947 63.200 0.059 0.000 0.882 1036 S HN 0.011 nan 8.310 nan 0.000 0.498 1037 P HA 0.112 nan 4.420 nan 0.000 0.259 1037 P C -0.191 177.277 177.300 0.280 0.000 1.480 1037 P CA -0.039 63.182 63.100 0.202 0.000 0.842 1037 P CB -0.288 31.473 31.700 0.101 0.000 1.513 1038 S N 0.784 116.622 115.700 0.229 0.000 2.420 1038 S HA 0.207 4.678 4.470 0.002 0.000 0.313 1038 S C 1.017 175.606 174.600 -0.019 0.000 1.079 1038 S CA -0.715 57.553 58.200 0.113 0.000 1.104 1038 S CB 0.224 63.453 63.200 0.048 0.000 0.969 1038 S HN -0.117 nan 8.310 nan 0.000 0.471 1039 L N 6.010 127.164 121.223 -0.115 0.000 2.079 1039 L HA -0.044 4.297 4.340 0.002 0.000 0.210 1039 L C 1.590 178.286 176.870 -0.291 0.000 1.081 1039 L CA 1.977 56.547 54.840 -0.450 0.000 0.752 1039 L CB -1.248 40.658 42.059 -0.256 0.000 0.896 1039 L HN 0.651 nan 8.230 nan 0.000 0.433 1040 N N -0.081 118.536 118.700 -0.139 0.000 2.223 1040 N HA -0.083 4.658 4.740 0.002 0.000 0.185 1040 N C 1.836 177.293 175.510 -0.088 0.000 1.016 1040 N CA 1.343 54.335 53.050 -0.095 0.000 0.863 1040 N CB -0.419 38.038 38.487 -0.051 0.000 0.983 1040 N HN 0.488 nan 8.380 nan 0.000 0.429 1041 A N 0.565 123.337 122.820 -0.080 0.000 1.972 1041 A HA 0.057 4.378 4.320 0.002 0.000 0.219 1041 A C 2.275 179.811 177.584 -0.079 0.000 1.169 1041 A CA 1.675 53.679 52.037 -0.055 0.000 0.635 1041 A CB -0.803 18.186 19.000 -0.017 0.000 0.810 1041 A HN 0.302 nan 8.150 nan 0.000 0.446 1042 A N 0.405 123.127 122.820 -0.163 0.000 1.877 1042 A HA -0.156 4.165 4.320 0.002 0.000 0.216 1042 A C 2.073 179.587 177.584 -0.117 0.000 1.186 1042 A CA 1.669 53.599 52.037 -0.179 0.000 0.620 1042 A CB -0.407 18.345 19.000 -0.413 0.000 0.822 1042 A HN 0.536 nan 8.150 nan 0.000 0.443 1043 K N -0.193 120.132 120.400 -0.125 0.000 2.288 1043 K HA -0.035 4.286 4.320 0.002 0.000 0.201 1043 K C 2.226 178.800 176.600 -0.043 0.000 1.048 1043 K CA 1.063 57.307 56.287 -0.072 0.000 0.956 1043 K CB -0.215 32.242 32.500 -0.072 0.000 0.746 1043 K HN 0.412 nan 8.250 nan 0.000 0.461 1044 S N 1.447 117.120 115.700 -0.046 0.000 2.345 1044 S HA -0.131 4.340 4.470 0.002 0.000 0.220 1044 S C 1.871 176.462 174.600 -0.016 0.000 1.031 1044 S CA 1.107 59.291 58.200 -0.027 0.000 0.996 1044 S CB 0.024 63.207 63.200 -0.027 0.000 0.882 1044 S HN 0.201 nan 8.310 nan 0.000 0.445 1045 E N 0.814 121.005 120.200 -0.017 0.000 2.106 1045 E HA -0.082 4.269 4.350 0.002 0.000 0.192 1045 E C 2.065 178.681 176.600 0.026 0.000 0.984 1045 E CA 0.634 57.035 56.400 0.002 0.000 0.806 1045 E CB -0.555 29.141 29.700 -0.006 0.000 0.750 1045 E HN 0.444 nan 8.360 nan 0.000 0.458 1046 L N 2.096 123.331 121.223 0.020 0.000 1.955 1046 L HA -0.198 4.143 4.340 0.002 0.000 0.213 1046 L C 1.482 178.369 176.870 0.028 0.000 1.072 1046 L CA 2.119 56.983 54.840 0.041 0.000 0.755 1046 L CB -0.764 41.310 42.059 0.025 0.000 0.888 1046 L HN -0.094 nan 8.230 nan 0.000 0.432 1047 D N -0.350 120.057 120.400 0.011 0.000 2.158 1047 D HA -0.240 4.401 4.640 0.002 0.000 0.197 1047 D C 2.170 178.475 176.300 0.008 0.000 0.995 1047 D CA 1.527 55.531 54.000 0.007 0.000 0.846 1047 D CB -0.154 40.646 40.800 -0.001 0.000 0.941 1047 D HN 0.383 nan 8.370 nan 0.000 0.456 1048 K N 0.168 120.573 120.400 0.010 0.000 2.002 1048 K HA -0.088 4.233 4.320 0.002 0.000 0.209 1048 K C 2.044 178.654 176.600 0.016 0.000 1.048 1048 K CA 1.389 57.683 56.287 0.011 0.000 0.930 1048 K CB -0.126 32.380 32.500 0.010 0.000 0.714 1048 K HN 0.086 nan 8.250 nan 0.000 0.438 1049 A N 0.880 123.718 122.820 0.030 0.000 1.969 1049 A HA -0.116 4.205 4.320 0.002 0.000 0.218 1049 A C 1.938 179.527 177.584 0.007 0.000 1.169 1049 A CA 1.143 53.198 52.037 0.031 0.000 0.635 1049 A CB -0.362 18.686 19.000 0.079 0.000 0.810 1049 A HN 0.219 nan 8.150 nan 0.000 0.445 1050 I N -1.543 119.033 120.570 0.010 0.000 2.260 1050 I HA 0.125 4.296 4.170 0.002 0.000 0.237 1050 I C 1.777 177.896 176.117 0.003 0.000 1.075 1050 I CA 1.911 63.213 61.300 0.004 0.000 1.376 1050 I CB -1.762 36.244 38.000 0.010 0.000 1.107 1050 I HN 0.555 nan 8.210 nan 0.000 0.420 1051 G N 2.170 110.973 108.800 0.005 0.000 2.327 1051 G HA2 -0.137 3.824 3.960 0.002 0.000 0.159 1051 G HA3 -0.137 3.824 3.960 0.002 0.000 0.159 1051 G C 0.170 175.072 174.900 0.003 0.000 1.056 1051 G CA 0.104 45.205 45.100 0.003 0.000 0.751 1051 G HN 0.660 nan 8.290 nan 0.000 0.488 1052 R N -1.358 119.144 120.500 0.004 0.000 2.728 1052 R HA 0.553 4.894 4.340 0.002 0.000 0.274 1052 R C -1.088 175.214 176.300 0.003 0.000 1.030 1052 R CA -1.108 54.994 56.100 0.003 0.000 0.876 1052 R CB 0.296 30.598 30.300 0.004 0.000 1.259 1052 R HN 0.024 nan 8.270 nan 0.000 0.468 1053 N N 0.232 118.933 118.700 0.002 0.000 2.470 1053 N HA 0.034 4.774 4.740 0.002 0.000 0.268 1053 N C -0.055 175.457 175.510 0.002 0.000 1.136 1053 N CA 0.819 53.870 53.050 0.001 0.000 0.961 1053 N CB 1.456 39.942 38.487 -0.000 0.000 1.067 1053 N HN 0.724 nan 8.380 nan 0.000 0.468 1054 T N -0.903 113.652 114.554 0.002 0.000 2.987 1054 T HA 0.101 4.452 4.350 0.002 0.000 0.248 1054 T C 0.597 175.299 174.700 0.004 0.000 0.997 1054 T CA -0.109 61.994 62.100 0.005 0.000 1.013 1054 T CB 0.245 69.119 68.868 0.009 0.000 1.077 1054 T HN 0.629 nan 8.240 nan 0.000 0.483 1055 N N 1.587 120.286 118.700 -0.002 0.000 2.741 1055 N HA -0.175 4.566 4.740 0.002 0.000 0.250 1055 N C 0.917 176.425 175.510 -0.003 0.000 1.115 1055 N CA 1.008 54.056 53.050 -0.004 0.000 0.724 1055 N CB -1.669 36.818 38.487 0.000 0.000 1.090 1055 N HN 1.137 nan 8.380 nan 0.000 0.558 1056 G N -1.901 106.897 108.800 -0.004 0.000 2.136 1056 G HA2 -0.251 3.710 3.960 0.002 0.000 0.242 1056 G HA3 -0.251 3.710 3.960 0.002 0.000 0.242 1056 G C -0.193 174.720 174.900 0.022 0.000 0.989 1056 G CA 0.339 45.439 45.100 -0.001 0.000 0.682 1056 G HN 0.494 nan 8.290 nan 0.000 0.522 1057 V N 1.173 121.102 119.914 0.024 0.000 2.888 1057 V HA 0.807 4.928 4.120 0.002 0.000 0.309 1057 V C 0.160 176.274 176.094 0.032 0.000 1.114 1057 V CA -0.368 61.952 62.300 0.033 0.000 0.940 1057 V CB 2.199 34.037 31.823 0.026 0.000 1.021 1057 V HN 0.881 nan 8.190 nan 0.000 0.426 1058 I N 0.610 121.204 120.570 0.039 0.000 2.865 1058 I HA 0.825 4.996 4.170 0.002 0.000 0.302 1058 I C 0.059 176.195 176.117 0.031 0.000 1.140 1058 I CA -0.623 60.698 61.300 0.036 0.000 1.021 1058 I CB 2.567 40.594 38.000 0.045 0.000 1.233 1058 I HN 0.669 nan 8.210 nan 0.000 0.427 1059 T N 0.291 114.860 114.554 0.025 0.000 2.849 1059 T HA 0.381 4.732 4.350 0.002 0.000 0.284 1059 T C 0.685 175.399 174.700 0.022 0.000 1.004 1059 T CA -0.475 61.637 62.100 0.020 0.000 1.021 1059 T CB 1.535 70.412 68.868 0.015 0.000 1.013 1059 T HN 0.812 nan 8.240 nan 0.000 0.527 1060 K N 0.246 120.656 120.400 0.017 0.000 2.147 1060 K HA -0.060 4.261 4.320 0.002 0.000 0.205 1060 K C 1.236 177.849 176.600 0.021 0.000 1.049 1060 K CA 1.347 57.644 56.287 0.016 0.000 0.936 1060 K CB -0.029 32.475 32.500 0.008 0.000 0.722 1060 K HN 0.597 nan 8.250 nan 0.000 0.446 1061 D N 0.730 121.141 120.400 0.018 0.000 2.332 1061 D HA -0.055 4.586 4.640 0.002 0.000 0.244 1061 D C 0.662 176.974 176.300 0.020 0.000 1.136 1061 D CA 0.772 54.782 54.000 0.018 0.000 0.884 1061 D CB 0.352 41.159 40.800 0.013 0.000 0.906 1061 D HN 0.392 nan 8.370 nan 0.000 0.520 1062 E N -0.203 120.012 120.200 0.026 0.000 2.444 1062 E HA 0.157 4.508 4.350 0.002 0.000 0.209 1062 E C 1.886 178.509 176.600 0.039 0.000 0.806 1062 E CA 0.009 56.424 56.400 0.026 0.000 1.240 1062 E CB 0.328 30.041 29.700 0.021 0.000 1.238 1062 E HN 0.073 nan 8.360 nan 0.000 0.591 1063 A N 1.805 124.655 122.820 0.051 0.000 1.902 1063 A HA -0.244 4.077 4.320 0.002 0.000 0.217 1063 A C 2.067 179.723 177.584 0.120 0.000 1.181 1063 A CA 1.864 53.946 52.037 0.074 0.000 0.623 1063 A CB -0.433 18.600 19.000 0.056 0.000 0.818 1063 A HN 0.256 nan 8.150 nan 0.000 0.443 1064 E N -0.176 120.088 120.200 0.107 0.000 2.106 1064 E HA -0.186 4.165 4.350 0.002 0.000 0.192 1064 E C 1.825 178.532 176.600 0.178 0.000 0.984 1064 E CA 1.453 57.958 56.400 0.175 0.000 0.806 1064 E CB -0.107 29.653 29.700 0.100 0.000 0.750 1064 E HN 0.582 nan 8.360 nan 0.000 0.458 1065 K N -0.155 120.300 120.400 0.092 0.000 2.365 1065 K HA 0.062 4.383 4.320 0.002 0.000 0.197 1065 K C 1.996 178.620 176.600 0.040 0.000 1.042 1065 K CA 0.231 56.549 56.287 0.052 0.000 0.987 1065 K CB 0.186 32.697 32.500 0.018 0.000 0.779 1065 K HN 0.169 nan 8.250 nan 0.000 0.484 1066 L N -0.210 121.036 121.223 0.039 0.000 2.023 1066 L HA -0.139 4.202 4.340 0.002 0.000 0.205 1066 L C 2.149 179.080 176.870 0.100 0.000 1.073 1066 L CA 0.956 55.772 54.840 -0.040 0.000 0.745 1066 L CB -0.381 41.587 42.059 -0.152 0.000 0.900 1066 L HN 0.126 nan 8.230 nan 0.000 0.435 1067 F N 1.267 121.257 119.950 0.068 0.000 2.120 1067 F HA -0.286 4.224 4.527 -0.029 0.000 0.300 1067 F C 2.345 178.279 175.800 0.224 0.000 1.095 1067 F CA 1.690 59.805 58.000 0.192 0.000 1.249 1067 F CB -0.537 38.566 39.000 0.172 0.000 0.995 1067 F HN 0.148 nan 8.300 nan 0.000 0.480 1068 N N -0.196 118.542 118.700 0.063 0.000 2.459 1068 N HA -0.124 4.617 4.740 0.002 0.000 0.181 1068 N C 1.651 177.172 175.510 0.018 0.000 1.046 1068 N CA 0.804 53.857 53.050 0.006 0.000 0.904 1068 N CB -0.086 38.412 38.487 0.018 0.000 0.964 1068 N HN 0.578 nan 8.380 nan 0.000 0.444 1069 Q N 0.269 120.083 119.800 0.023 0.000 2.204 1069 Q HA -0.036 4.305 4.340 0.002 0.000 0.198 1069 Q C 0.862 176.877 176.000 0.025 0.000 0.946 1069 Q CA 0.680 56.490 55.803 0.012 0.000 0.859 1069 Q CB 0.228 28.960 28.738 -0.010 0.000 0.946 1069 Q HN 0.210 nan 8.270 nan 0.000 0.474 1070 D N 0.210 120.650 120.400 0.067 0.000 2.144 1070 D HA -0.119 4.522 4.640 0.002 0.000 0.199 1070 D C 1.872 178.268 176.300 0.159 0.000 0.984 1070 D CA 0.895 54.955 54.000 0.101 0.000 0.834 1070 D CB 0.017 40.933 40.800 0.193 0.000 0.955 1070 D HN 0.041 nan 8.370 nan 0.000 0.465 1071 V N 1.126 121.100 119.914 0.100 0.000 2.488 1071 V HA -0.152 3.969 4.120 0.002 0.000 0.246 1071 V C 1.658 177.731 176.094 -0.035 0.000 1.046 1071 V CA 1.421 63.706 62.300 -0.024 0.000 1.053 1071 V CB -0.340 31.253 31.823 -0.383 0.000 0.679 1071 V HN 0.019 nan 8.190 nan 0.000 0.458 1072 D N 0.789 121.181 120.400 -0.012 0.000 2.144 1072 D HA -0.080 4.561 4.640 0.002 0.000 0.200 1072 D C 2.237 178.526 176.300 -0.018 0.000 0.978 1072 D CA 1.508 55.502 54.000 -0.010 0.000 0.833 1072 D CB -0.339 40.464 40.800 0.005 0.000 0.961 1072 D HN 0.407 nan 8.370 nan 0.000 0.470 1073 A N 1.032 123.847 122.820 -0.009 0.000 1.883 1073 A HA -0.097 4.224 4.320 0.002 0.000 0.217 1073 A C 2.308 179.873 177.584 -0.032 0.000 1.186 1073 A CA 2.363 54.387 52.037 -0.021 0.000 0.624 1073 A CB -0.845 18.142 19.000 -0.021 0.000 0.822 1073 A HN 0.240 nan 8.150 nan 0.000 0.444 1074 A N -0.729 122.083 122.820 -0.013 0.000 1.933 1074 A HA 0.035 4.356 4.320 0.002 0.000 0.218 1074 A C 2.236 179.777 177.584 -0.072 0.000 1.175 1074 A CA 1.758 53.785 52.037 -0.016 0.000 0.628 1074 A CB -0.861 18.182 19.000 0.073 0.000 0.814 1074 A HN 0.390 nan 8.150 nan 0.000 0.444 1075 V N 0.100 119.962 119.914 -0.087 0.000 2.307 1075 V HA -0.247 3.874 4.120 0.002 0.000 0.245 1075 V C 2.577 178.575 176.094 -0.159 0.000 1.045 1075 V CA 2.150 64.357 62.300 -0.155 0.000 1.024 1075 V CB -0.819 30.942 31.823 -0.104 0.000 0.651 1075 V HN 0.520 nan 8.190 nan 0.000 0.449 1076 R N 0.253 120.698 120.500 -0.093 0.000 2.152 1076 R HA -0.082 4.259 4.340 0.002 0.000 0.232 1076 R C 2.397 178.649 176.300 -0.080 0.000 1.117 1076 R CA 1.241 57.296 56.100 -0.075 0.000 0.981 1076 R CB -0.679 29.594 30.300 -0.045 0.000 0.870 1076 R HN 0.601 nan 8.270 nan 0.000 0.451 1077 G N 1.086 109.837 108.800 -0.082 0.000 2.422 1077 G HA2 -0.188 3.773 3.960 0.002 0.000 0.218 1077 G HA3 -0.188 3.773 3.960 0.002 0.000 0.218 1077 G C 1.419 176.266 174.900 -0.088 0.000 1.140 1077 G CA 0.348 45.404 45.100 -0.072 0.000 0.775 1077 G HN 0.161 nan 8.290 nan 0.000 0.545 1078 I N 0.205 120.688 120.570 -0.144 0.000 2.353 1078 I HA -0.029 4.142 4.170 0.002 0.000 0.248 1078 I C 2.490 178.516 176.117 -0.152 0.000 1.119 1078 I CA 0.591 61.784 61.300 -0.179 0.000 1.417 1078 I CB -0.068 37.715 38.000 -0.362 0.000 1.078 1078 I HN 0.108 nan 8.210 nan 0.000 0.421 1079 L N 0.057 121.184 121.223 -0.160 0.000 2.179 1079 L HA -0.074 4.267 4.340 0.002 0.000 0.208 1079 L C 2.681 179.525 176.870 -0.044 0.000 1.096 1079 L CA 0.819 55.607 54.840 -0.087 0.000 0.779 1079 L CB -0.513 41.500 42.059 -0.077 0.000 0.922 1079 L HN 0.188 nan 8.230 nan 0.000 0.443 1080 R N 0.728 121.199 120.500 -0.048 0.000 2.062 1080 R HA -0.086 4.255 4.340 0.002 0.000 0.229 1080 R C 1.238 177.524 176.300 -0.023 0.000 1.128 1080 R CA 0.634 56.716 56.100 -0.030 0.000 0.960 1080 R CB -0.036 30.245 30.300 -0.032 0.000 0.855 1080 R HN 0.251 nan 8.270 nan 0.000 0.432 1081 N N 0.363 119.046 118.700 -0.028 0.000 2.483 1081 N HA -0.048 4.693 4.740 0.002 0.000 0.264 1081 N C 0.300 175.806 175.510 -0.007 0.000 1.197 1081 N CA 0.658 53.698 53.050 -0.017 0.000 0.927 1081 N CB 1.664 40.139 38.487 -0.020 0.000 1.065 1081 N HN 0.350 nan 8.380 nan 0.000 0.461 1082 A N 4.863 127.682 122.820 -0.001 0.000 1.929 1082 A HA -0.083 4.238 4.320 0.002 0.000 0.216 1082 A C 2.068 179.659 177.584 0.012 0.000 1.176 1082 A CA 1.160 53.201 52.037 0.006 0.000 0.628 1082 A CB -0.145 18.857 19.000 0.004 0.000 0.816 1082 A HN 0.809 nan 8.150 nan 0.000 0.444 1083 K N -0.592 119.815 120.400 0.012 0.000 2.217 1083 K HA 0.119 4.440 4.320 0.002 0.000 0.202 1083 K C 1.672 178.289 176.600 0.028 0.000 1.051 1083 K CA 0.785 57.083 56.287 0.019 0.000 0.952 1083 K CB -0.138 32.374 32.500 0.020 0.000 0.736 1083 K HN 0.480 nan 8.250 nan 0.000 0.453 1084 L N 0.068 121.306 121.223 0.025 0.000 2.130 1084 L HA -0.028 4.313 4.340 0.002 0.000 0.200 1084 L C 2.355 179.264 176.870 0.064 0.000 1.075 1084 L CA 0.652 55.514 54.840 0.036 0.000 0.768 1084 L CB -0.456 41.607 42.059 0.006 0.000 0.933 1084 L HN 0.070 nan 8.230 nan 0.000 0.451 1085 K N 0.950 121.376 120.400 0.044 0.000 2.071 1085 K HA -0.233 4.088 4.320 0.002 0.000 0.217 1085 K C -0.642 176.034 176.600 0.126 0.000 1.054 1085 K CA 2.397 58.730 56.287 0.077 0.000 0.937 1085 K CB -0.909 31.617 32.500 0.043 0.000 0.719 1085 K HN 0.169 nan 8.250 nan 0.000 0.454 1086 P HA -0.085 nan 4.420 nan 0.000 0.221 1086 P C 1.284 178.633 177.300 0.081 0.000 1.150 1086 P CA 0.805 63.949 63.100 0.072 0.000 0.800 1086 P CB 0.119 31.845 31.700 0.044 0.000 0.787 1087 V N -0.903 119.067 119.914 0.095 0.000 2.270 1087 V HA -0.264 3.857 4.120 0.002 0.000 0.245 1087 V C 2.331 178.514 176.094 0.149 0.000 1.043 1087 V CA 1.725 64.086 62.300 0.102 0.000 1.014 1087 V CB -1.567 30.310 31.823 0.090 0.000 0.645 1087 V HN 0.012 nan 8.190 nan 0.000 0.447 1088 Y N 1.603 121.934 120.300 0.052 0.000 2.241 1088 Y HA -0.280 4.270 4.550 0.001 0.000 0.286 1088 Y C 2.272 178.204 175.900 0.053 0.000 1.166 1088 Y CA 2.048 60.182 58.100 0.057 0.000 1.203 1088 Y CB -0.315 38.169 38.460 0.041 0.000 0.977 1088 Y HN 0.371 nan 8.280 nan 0.000 0.529 1089 D N -1.105 119.337 120.400 0.070 0.000 2.234 1089 D HA -0.128 4.513 4.640 0.002 0.000 0.205 1089 D C 2.413 178.698 176.300 -0.024 0.000 0.962 1089 D CA 1.331 55.325 54.000 -0.010 0.000 0.855 1089 D CB -0.341 40.495 40.800 0.059 0.000 0.951 1089 D HN 0.513 nan 8.370 nan 0.000 0.500 1090 S N 0.231 115.942 115.700 0.019 0.000 2.402 1090 S HA -0.062 4.409 4.470 0.002 0.000 0.229 1090 S C 1.215 175.851 174.600 0.059 0.000 1.021 1090 S CA 0.155 58.379 58.200 0.041 0.000 0.974 1090 S CB -0.450 62.785 63.200 0.058 0.000 0.800 1090 S HN 0.116 nan 8.310 nan 0.000 0.484 1091 L N 3.307 124.549 121.223 0.032 0.000 2.436 1091 L HA 0.275 4.616 4.340 0.002 0.000 0.265 1091 L C 0.598 177.423 176.870 -0.074 0.000 1.168 1091 L CA -0.748 54.113 54.840 0.035 0.000 0.815 1091 L CB 0.262 42.336 42.059 0.025 0.000 1.109 1091 L HN 0.438 nan 8.230 nan 0.000 0.462 1092 D N 1.607 121.966 120.400 -0.069 0.000 2.414 1092 D HA 0.101 4.742 4.640 0.002 0.000 0.251 1092 D C 0.817 177.025 176.300 -0.153 0.000 1.252 1092 D CA -0.203 53.733 54.000 -0.107 0.000 0.999 1092 D CB 0.960 41.696 40.800 -0.108 0.000 1.093 1092 D HN 0.546 nan 8.370 nan 0.000 0.515 1093 A N 0.059 122.803 122.820 -0.126 0.000 1.933 1093 A HA -0.096 4.225 4.320 0.002 0.000 0.218 1093 A C 2.331 179.828 177.584 -0.145 0.000 1.175 1093 A CA 1.477 53.454 52.037 -0.101 0.000 0.628 1093 A CB -0.874 18.107 19.000 -0.032 0.000 0.814 1093 A HN 0.397 nan 8.150 nan 0.000 0.444 1094 V N -0.113 119.648 119.914 -0.255 0.000 2.548 1094 V HA -0.174 3.947 4.120 0.002 0.000 0.249 1094 V C 2.523 178.300 176.094 -0.528 0.000 1.055 1094 V CA 1.846 63.834 62.300 -0.519 0.000 1.065 1094 V CB -0.803 30.585 31.823 -0.724 0.000 0.681 1094 V HN 0.489 nan 8.190 nan 0.000 0.462 1095 R N -0.046 120.228 120.500 -0.377 0.000 2.127 1095 R HA 0.042 4.383 4.340 0.002 0.000 0.217 1095 R C 2.490 178.713 176.300 -0.128 0.000 1.074 1095 R CA 0.596 56.518 56.100 -0.297 0.000 0.991 1095 R CB -0.261 29.931 30.300 -0.180 0.000 0.895 1095 R HN 0.449 nan 8.270 nan 0.000 0.450 1096 R N 0.692 121.128 120.500 -0.107 0.000 2.127 1096 R HA -0.099 4.242 4.340 0.002 0.000 0.238 1096 R C 2.258 178.586 176.300 0.045 0.000 1.134 1096 R CA 1.471 57.567 56.100 -0.007 0.000 0.975 1096 R CB -0.308 29.887 30.300 -0.175 0.000 0.865 1096 R HN 0.180 nan 8.270 nan 0.000 0.447 1097 A N 1.019 123.792 122.820 -0.079 0.000 1.898 1097 A HA -0.074 4.247 4.320 0.002 0.000 0.216 1097 A C 2.342 179.844 177.584 -0.136 0.000 1.181 1097 A CA 1.523 53.522 52.037 -0.064 0.000 0.620 1097 A CB -0.544 18.470 19.000 0.024 0.000 0.819 1097 A HN 0.388 nan 8.150 nan 0.000 0.442 1098 A N -0.680 121.941 122.820 -0.333 0.000 1.972 1098 A HA -0.013 4.308 4.320 0.002 0.000 0.219 1098 A C 2.112 179.572 177.584 -0.207 0.000 1.169 1098 A CA 1.680 53.390 52.037 -0.545 0.000 0.635 1098 A CB -0.513 17.582 19.000 -1.507 0.000 0.810 1098 A HN 0.549 nan 8.150 nan 0.000 0.446 1099 L N -0.051 121.221 121.223 0.081 0.000 2.005 1099 L HA -0.056 4.285 4.340 0.002 0.000 0.207 1099 L C 2.281 179.223 176.870 0.121 0.000 1.072 1099 L CA 1.695 56.709 54.840 0.290 0.000 0.744 1099 L CB -0.412 41.860 42.059 0.354 0.000 0.895 1099 L HN 0.427 nan 8.230 nan 0.000 0.433 1100 I N -0.142 120.476 120.570 0.080 0.000 2.248 1100 I HA -0.349 3.822 4.170 0.002 0.000 0.248 1100 I C 2.337 178.479 176.117 0.042 0.000 1.107 1100 I CA 1.365 62.682 61.300 0.027 0.000 1.373 1100 I CB -0.616 37.370 38.000 -0.024 0.000 1.055 1100 I HN 0.455 nan 8.210 nan 0.000 0.418 1101 N N 1.212 119.920 118.700 0.014 0.000 2.069 1101 N HA -0.197 4.544 4.740 0.002 0.000 0.191 1101 N C 1.945 177.519 175.510 0.106 0.000 1.031 1101 N CA 1.755 54.831 53.050 0.044 0.000 0.852 1101 N CB -0.150 38.358 38.487 0.036 0.000 1.018 1101 N HN 0.272 nan 8.380 nan 0.000 0.423 1102 M N -0.021 119.599 119.600 0.032 0.000 2.082 1102 M HA -0.172 4.309 4.480 0.002 0.000 0.258 1102 M C 2.162 178.427 176.300 -0.058 0.000 1.071 1102 M CA 1.391 56.617 55.300 -0.124 0.000 1.103 1102 M CB -0.400 32.043 32.600 -0.262 0.000 1.307 1102 M HN -0.059 nan 8.290 nan 0.000 0.409 1103 V N -0.322 119.591 119.914 -0.001 0.000 2.720 1103 V HA -0.249 3.872 4.120 0.002 0.000 0.256 1103 V C 2.031 178.163 176.094 0.063 0.000 1.082 1103 V CA 1.519 63.825 62.300 0.011 0.000 1.101 1103 V CB -0.909 30.913 31.823 -0.001 0.000 0.693 1103 V HN 0.335 nan 8.190 nan 0.000 0.479 1104 F N 0.652 120.589 119.950 -0.022 0.000 2.102 1104 F HA -0.221 4.301 4.527 -0.007 0.000 0.298 1104 F C 2.561 178.382 175.800 0.036 0.000 1.105 1104 F CA 2.391 60.402 58.000 0.018 0.000 1.239 1104 F CB -0.063 38.966 39.000 0.048 0.000 0.991 1104 F HN 0.112 nan 8.300 nan 0.000 0.474 1105 Q N -0.616 119.317 119.800 0.221 0.000 2.033 1105 Q HA -0.135 4.206 4.340 0.002 0.000 0.196 1105 Q C 2.044 178.074 176.000 0.050 0.000 0.970 1105 Q CA 1.664 57.562 55.803 0.157 0.000 0.828 1105 Q CB 0.042 28.890 28.738 0.183 0.000 0.895 1105 Q HN 0.434 nan 8.270 nan 0.000 0.440 1106 M N -1.300 118.297 119.600 -0.005 0.000 2.557 1106 M HA 0.242 4.723 4.480 0.002 0.000 0.262 1106 M C 0.576 176.863 176.300 -0.021 0.000 1.168 1106 M CA 0.850 56.144 55.300 -0.010 0.000 1.194 1106 M CB 1.241 33.823 32.600 -0.030 0.000 1.311 1106 M HN 0.298 nan 8.290 nan 0.000 0.489 1107 G N -0.021 108.761 108.800 -0.031 0.000 2.497 1107 G HA2 -0.115 3.846 3.960 0.002 0.000 0.686 1107 G HA3 -0.115 3.846 3.960 0.002 0.000 0.686 1107 G C -0.384 174.502 174.900 -0.023 0.000 1.288 1107 G CA -0.540 44.538 45.100 -0.037 0.000 0.899 1107 G HN 0.267 nan 8.290 nan 0.000 0.608 1108 E N -0.241 119.943 120.200 -0.027 0.000 2.058 1108 E HA -0.075 4.276 4.350 0.002 0.000 0.194 1108 E C 2.767 179.365 176.600 -0.004 0.000 0.997 1108 E CA 2.483 58.871 56.400 -0.019 0.000 0.801 1108 E CB -0.340 29.343 29.700 -0.028 0.000 0.746 1108 E HN 0.587 nan 8.360 nan 0.000 0.450 1109 T N 0.048 114.597 114.554 -0.009 0.000 2.597 1109 T HA -0.229 4.122 4.350 0.002 0.000 0.267 1109 T C 1.952 176.657 174.700 0.009 0.000 1.053 1109 T CA 1.652 63.749 62.100 -0.004 0.000 1.165 1109 T CB -0.971 67.889 68.868 -0.013 0.000 0.863 1109 T HN 0.445 nan 8.240 nan 0.000 0.427 1110 G N 0.696 109.505 108.800 0.016 0.000 2.418 1110 G HA2 -0.151 3.810 3.960 0.002 0.000 0.217 1110 G HA3 -0.151 3.810 3.960 0.002 0.000 0.217 1110 G C 1.700 176.673 174.900 0.122 0.000 1.158 1110 G CA 0.936 46.059 45.100 0.037 0.000 0.771 1110 G HN 0.468 nan 8.290 nan 0.000 0.545 1111 V N 1.470 121.460 119.914 0.127 0.000 2.667 1111 V HA -0.026 4.095 4.120 0.002 0.000 0.252 1111 V C 3.218 179.444 176.094 0.218 0.000 1.065 1111 V CA 1.561 63.981 62.300 0.199 0.000 1.083 1111 V CB -0.613 31.216 31.823 0.009 0.000 0.692 1111 V HN 0.455 nan 8.190 nan 0.000 0.468 1112 A N 0.926 123.811 122.820 0.108 0.000 2.019 1112 A HA -0.058 4.263 4.320 0.002 0.000 0.219 1112 A C 2.376 180.005 177.584 0.075 0.000 1.164 1112 A CA 1.640 53.723 52.037 0.076 0.000 0.644 1112 A CB -0.967 18.052 19.000 0.032 0.000 0.805 1112 A HN 0.527 nan 8.150 nan 0.000 0.449 1113 G N -1.028 107.801 108.800 0.048 0.000 2.448 1113 G HA2 -0.070 3.891 3.960 0.002 0.000 0.219 1113 G HA3 -0.070 3.891 3.960 0.002 0.000 0.219 1113 G C 0.491 175.335 174.900 -0.094 0.000 1.127 1113 G CA 0.205 45.267 45.100 -0.063 0.000 0.766 1113 G HN 0.421 nan 8.290 nan 0.000 0.552 1114 F N 2.497 122.443 119.950 -0.008 0.000 2.677 1114 F HA 0.194 4.722 4.527 0.002 0.000 0.358 1114 F C 1.902 177.698 175.800 -0.006 0.000 1.266 1114 F CA 0.017 58.018 58.000 0.002 0.000 1.262 1114 F CB -0.297 38.702 39.000 -0.003 0.000 1.684 1114 F HN -0.086 nan 8.300 nan 0.000 0.671 1115 T N -0.899 113.708 114.554 0.089 0.000 2.777 1115 T HA -0.173 4.178 4.350 0.002 0.000 0.266 1115 T C 2.011 176.743 174.700 0.054 0.000 1.040 1115 T CA 1.242 63.376 62.100 0.056 0.000 1.141 1115 T CB -0.030 68.849 68.868 0.018 0.000 0.868 1115 T HN 0.357 nan 8.240 nan 0.000 0.444 1116 N N 1.472 120.208 118.700 0.059 0.000 2.051 1116 N HA -0.031 4.710 4.740 0.002 0.000 0.192 1116 N C 2.283 177.822 175.510 0.047 0.000 1.049 1116 N CA 1.369 54.446 53.050 0.045 0.000 0.845 1116 N CB -0.741 37.773 38.487 0.044 0.000 1.031 1116 N HN 0.284 nan 8.380 nan 0.000 0.425 1117 S N 1.762 117.513 115.700 0.086 0.000 2.400 1117 S HA -0.134 4.337 4.470 0.002 0.000 0.234 1117 S C 2.182 176.773 174.600 -0.016 0.000 1.049 1117 S CA 1.014 59.243 58.200 0.049 0.000 1.039 1117 S CB -0.525 62.734 63.200 0.098 0.000 0.856 1117 S HN 0.257 nan 8.310 nan 0.000 0.465 1118 L N 0.811 122.040 121.223 0.011 0.000 2.056 1118 L HA -0.042 4.299 4.340 0.002 0.000 0.207 1118 L C 2.827 179.689 176.870 -0.013 0.000 1.078 1118 L CA 1.223 56.055 54.840 -0.014 0.000 0.749 1118 L CB -0.455 41.618 42.059 0.023 0.000 0.901 1118 L HN 0.247 nan 8.230 nan 0.000 0.433 1119 R N 0.320 120.817 120.500 -0.004 0.000 2.081 1119 R HA -0.179 4.162 4.340 0.002 0.000 0.235 1119 R C 2.290 178.564 176.300 -0.044 0.000 1.131 1119 R CA 1.631 57.721 56.100 -0.017 0.000 0.960 1119 R CB -0.168 30.127 30.300 -0.010 0.000 0.856 1119 R HN 0.284 nan 8.270 nan 0.000 0.436 1120 M N 0.476 120.047 119.600 -0.048 0.000 2.067 1120 M HA -0.180 4.301 4.480 0.002 0.000 0.260 1120 M C 2.317 178.539 176.300 -0.131 0.000 1.069 1120 M CA 1.516 56.765 55.300 -0.085 0.000 1.117 1120 M CB -0.281 32.284 32.600 -0.059 0.000 1.334 1120 M HN 0.189 nan 8.290 nan 0.000 0.407 1121 L N -0.078 121.100 121.223 -0.076 0.000 2.089 1121 L HA -0.316 4.025 4.340 0.002 0.000 0.213 1121 L C 2.556 179.392 176.870 -0.057 0.000 1.079 1121 L CA 1.831 56.665 54.840 -0.010 0.000 0.758 1121 L CB -0.897 41.163 42.059 0.002 0.000 0.891 1121 L HN 0.533 nan 8.230 nan 0.000 0.433 1122 Q N -0.022 119.745 119.800 -0.054 0.000 2.123 1122 Q HA -0.202 4.139 4.340 0.002 0.000 0.199 1122 Q C 1.641 177.569 176.000 -0.120 0.000 0.966 1122 Q CA 1.078 56.856 55.803 -0.041 0.000 0.845 1122 Q CB 0.147 28.876 28.738 -0.015 0.000 0.907 1122 Q HN 0.560 nan 8.270 nan 0.000 0.439 1123 Q N 0.303 120.000 119.800 -0.172 0.000 2.329 1123 Q HA 0.023 4.364 4.340 0.002 0.000 0.208 1123 Q C -0.477 175.286 176.000 -0.394 0.000 0.934 1123 Q CA 0.032 55.708 55.803 -0.212 0.000 0.951 1123 Q CB 0.403 29.044 28.738 -0.161 0.000 1.017 1123 Q HN 0.138 nan 8.270 nan 0.000 0.490 1124 K N -0.136 119.867 120.400 -0.660 0.000 3.020 1124 K HA -0.226 4.095 4.320 0.002 0.000 0.266 1124 K C -0.504 175.253 176.600 -1.405 0.000 1.067 1124 K CA 0.875 56.321 56.287 -1.403 0.000 0.780 1124 K CB -1.371 30.691 32.500 -0.730 0.000 1.220 1124 K HN 0.383 nan 8.250 nan 0.000 0.483 1125 R N 0.063 120.074 120.500 -0.815 0.000 4.390 1125 R HA 0.107 4.447 4.340 0.002 0.000 0.229 1125 R C 0.993 177.150 176.300 -0.237 0.000 1.674 1125 R CA -0.256 55.579 56.100 -0.441 0.000 1.526 1125 R CB -0.391 29.770 30.300 -0.231 0.000 1.418 1125 R HN 0.281 nan 8.270 nan 0.000 0.790 1126 W N 0.181 121.486 121.300 0.007 0.000 2.321 1126 W HA -0.234 4.428 4.660 0.003 0.000 0.306 1126 W C 1.424 177.959 176.519 0.027 0.000 1.217 1126 W CA 0.419 57.777 57.345 0.022 0.000 1.257 1126 W CB 0.002 29.483 29.460 0.035 0.000 1.145 1126 W HN 0.337 nan 8.180 nan 0.000 0.509 1127 D N 0.010 120.545 120.400 0.225 0.000 2.137 1127 D HA -0.113 4.528 4.640 0.002 0.000 0.202 1127 D C 1.859 178.215 176.300 0.094 0.000 0.970 1127 D CA 1.223 55.311 54.000 0.148 0.000 0.837 1127 D CB -0.389 40.475 40.800 0.108 0.000 0.981 1127 D HN 0.271 nan 8.370 nan 0.000 0.475 1128 E N 0.815 121.048 120.200 0.055 0.000 2.023 1128 E HA -0.182 4.169 4.350 0.002 0.000 0.196 1128 E C 2.091 178.719 176.600 0.046 0.000 1.003 1128 E CA 1.253 57.672 56.400 0.032 0.000 0.809 1128 E CB -0.090 29.610 29.700 -0.000 0.000 0.755 1128 E HN 0.163 nan 8.360 nan 0.000 0.449 1129 A N 1.254 124.103 122.820 0.049 0.000 1.978 1129 A HA -0.136 4.185 4.320 0.002 0.000 0.220 1129 A C 2.350 179.982 177.584 0.080 0.000 1.170 1129 A CA 1.654 53.721 52.037 0.049 0.000 0.636 1129 A CB -0.639 18.375 19.000 0.023 0.000 0.810 1129 A HN 0.308 nan 8.150 nan 0.000 0.448 1130 A N -0.802 122.088 122.820 0.117 0.000 2.070 1130 A HA 0.051 4.372 4.320 0.002 0.000 0.220 1130 A C 2.127 179.776 177.584 0.109 0.000 1.159 1130 A CA 1.662 53.783 52.037 0.140 0.000 0.656 1130 A CB -0.576 18.519 19.000 0.159 0.000 0.800 1130 A HN 0.363 nan 8.150 nan 0.000 0.453 1131 V N 0.403 120.363 119.914 0.078 0.000 2.488 1131 V HA -0.173 3.948 4.120 0.002 0.000 0.246 1131 V C 2.255 178.381 176.094 0.053 0.000 1.046 1131 V CA 1.654 63.982 62.300 0.047 0.000 1.053 1131 V CB -0.709 31.132 31.823 0.030 0.000 0.679 1131 V HN 0.581 nan 8.190 nan 0.000 0.458 1132 N N 0.436 119.184 118.700 0.079 0.000 2.084 1132 N HA -0.117 4.624 4.740 0.002 0.000 0.190 1132 N C 1.831 177.454 175.510 0.188 0.000 1.030 1132 N CA 1.467 54.584 53.050 0.112 0.000 0.849 1132 N CB -0.240 38.316 38.487 0.116 0.000 1.012 1132 N HN 0.370 nan 8.380 nan 0.000 0.423 1133 L N 0.924 122.279 121.223 0.219 0.000 2.191 1133 L HA -0.114 4.227 4.340 0.002 0.000 0.212 1133 L C 2.441 179.490 176.870 0.299 0.000 1.103 1133 L CA 0.697 55.739 54.840 0.337 0.000 0.769 1133 L CB -0.414 41.836 42.059 0.318 0.000 0.908 1133 L HN 0.126 nan 8.230 nan 0.000 0.438 1134 A N 0.092 122.991 122.820 0.131 0.000 1.969 1134 A HA -0.126 4.195 4.320 0.002 0.000 0.218 1134 A C 1.405 178.896 177.584 -0.154 0.000 1.169 1134 A CA 0.902 52.863 52.037 -0.128 0.000 0.635 1134 A CB -0.251 18.603 19.000 -0.242 0.000 0.810 1134 A HN 0.297 nan 8.150 nan 0.000 0.445 1135 K N 1.707 122.109 120.400 0.003 0.000 2.278 1135 K HA 0.248 4.569 4.320 0.002 0.000 0.237 1135 K C -0.567 176.110 176.600 0.129 0.000 1.229 1135 K CA 0.322 56.626 56.287 0.029 0.000 1.155 1135 K CB -0.193 32.327 32.500 0.034 0.000 1.590 1135 K HN 0.478 nan 8.250 nan 0.000 0.290 1136 S N -0.752 115.052 115.700 0.174 0.000 2.537 1136 S HA 0.308 4.779 4.470 0.002 0.000 0.270 1136 S C 0.326 175.086 174.600 0.267 0.000 1.142 1136 S CA -1.166 57.203 58.200 0.282 0.000 0.870 1136 S CB 1.927 65.484 63.200 0.595 0.000 1.112 1136 S HN 0.346 nan 8.310 nan 0.000 0.466 1137 R N 0.644 121.280 120.500 0.226 0.000 2.117 1137 R HA -0.063 4.278 4.340 0.002 0.000 0.243 1137 R C 1.701 178.195 176.300 0.323 0.000 1.143 1137 R CA 2.423 58.651 56.100 0.213 0.000 0.968 1137 R CB -0.948 29.444 30.300 0.153 0.000 0.863 1137 R HN 0.831 nan 8.270 nan 0.000 0.444 1138 W N 0.017 121.455 121.300 0.229 0.000 2.332 1138 W HA -0.282 4.379 4.660 0.001 0.000 0.321 1138 W C 1.863 178.514 176.519 0.220 0.000 1.219 1138 W CA 1.861 59.354 57.345 0.248 0.000 1.277 1138 W CB -1.421 28.259 29.460 0.367 0.000 1.161 1138 W HN 0.225 nan 8.180 nan 0.000 0.476 1139 Y N 1.695 121.931 120.300 -0.106 0.000 2.114 1139 Y HA -0.350 4.202 4.550 0.003 0.000 0.282 1139 Y C 2.710 178.523 175.900 -0.145 0.000 1.165 1139 Y CA 2.782 60.692 58.100 -0.318 0.000 1.148 1139 Y CB -1.289 37.068 38.460 -0.172 0.000 0.972 1139 Y HN 0.204 nan 8.280 nan 0.000 0.504 1140 N N -0.875 117.976 118.700 0.253 0.000 2.025 1140 N HA -0.237 4.504 4.740 0.002 0.000 0.194 1140 N C 1.791 177.351 175.510 0.085 0.000 1.044 1140 N CA 1.601 54.758 53.050 0.179 0.000 0.851 1140 N CB -0.046 38.525 38.487 0.141 0.000 1.036 1140 N HN 0.435 nan 8.380 nan 0.000 0.422 1141 Q N -0.103 119.754 119.800 0.094 0.000 1.975 1141 Q HA -0.094 4.247 4.340 0.002 0.000 0.205 1141 Q C 0.780 176.799 176.000 0.032 0.000 0.990 1141 Q CA 1.480 57.331 55.803 0.079 0.000 0.845 1141 Q CB -1.064 27.752 28.738 0.131 0.000 0.913 1141 Q HN 0.484 nan 8.270 nan 0.000 0.420 1142 T N -0.420 114.141 114.554 0.010 0.000 2.811 1142 T HA 0.278 4.629 4.350 0.002 0.000 0.309 1142 T C -2.086 172.462 174.700 -0.253 0.000 1.005 1142 T CA -1.786 60.281 62.100 -0.056 0.000 0.955 1142 T CB 1.632 70.526 68.868 0.045 0.000 0.970 1142 T HN -0.027 nan 8.240 nan 0.000 0.496 1143 P HA -0.056 nan 4.420 nan 0.000 0.213 1143 P C 1.173 178.181 177.300 -0.486 0.000 1.170 1143 P CA 0.942 63.794 63.100 -0.412 0.000 0.889 1143 P CB 0.303 31.885 31.700 -0.196 0.000 0.782 1144 N N -0.337 118.199 118.700 -0.273 0.000 2.135 1144 N HA -0.093 4.648 4.740 0.002 0.000 0.186 1144 N C 2.069 177.446 175.510 -0.221 0.000 1.027 1144 N CA 0.734 53.650 53.050 -0.223 0.000 0.849 1144 N CB -0.733 37.676 38.487 -0.129 0.000 1.002 1144 N HN 0.086 nan 8.380 nan 0.000 0.425 1145 R N 1.053 121.460 120.500 -0.155 0.000 2.103 1145 R HA -0.102 4.239 4.340 0.002 0.000 0.242 1145 R C 1.939 178.167 176.300 -0.119 0.000 1.142 1145 R CA 1.530 57.597 56.100 -0.055 0.000 0.960 1145 R CB -0.243 30.098 30.300 0.068 0.000 0.858 1145 R HN 0.179 nan 8.270 nan 0.000 0.439 1146 A N 1.181 123.756 122.820 -0.409 0.000 1.877 1146 A HA -0.220 4.101 4.320 0.002 0.000 0.216 1146 A C 2.126 179.429 177.584 -0.468 0.000 1.186 1146 A CA 1.718 53.280 52.037 -0.791 0.000 0.620 1146 A CB -0.516 17.635 19.000 -1.414 0.000 0.822 1146 A HN 0.371 nan 8.150 nan 0.000 0.443 1147 K N -0.532 119.594 120.400 -0.456 0.000 2.044 1147 K HA -0.193 4.128 4.320 0.002 0.000 0.210 1147 K C 2.351 178.865 176.600 -0.143 0.000 1.049 1147 K CA 1.721 57.862 56.287 -0.243 0.000 0.927 1147 K CB -0.188 32.176 32.500 -0.227 0.000 0.713 1147 K HN 0.452 nan 8.250 nan 0.000 0.443 1148 R N -0.031 120.360 120.500 -0.183 0.000 2.096 1148 R HA -0.095 4.246 4.340 0.002 0.000 0.235 1148 R C 2.315 178.579 176.300 -0.058 0.000 1.127 1148 R CA 1.328 57.281 56.100 -0.246 0.000 0.968 1148 R CB -0.309 29.705 30.300 -0.476 0.000 0.861 1148 R HN 0.081 nan 8.270 nan 0.000 0.440 1149 V N 1.447 121.404 119.914 0.073 0.000 2.270 1149 V HA -0.235 3.885 4.120 0.002 0.000 0.245 1149 V C 2.272 178.425 176.094 0.098 0.000 1.043 1149 V CA 1.743 64.135 62.300 0.154 0.000 1.014 1149 V CB -0.373 31.661 31.823 0.352 0.000 0.645 1149 V HN 0.210 nan 8.190 nan 0.000 0.447 1150 I N 0.112 120.799 120.570 0.196 0.000 2.163 1150 I HA -0.286 3.885 4.170 0.002 0.000 0.243 1150 I C 2.560 178.777 176.117 0.166 0.000 1.085 1150 I CA 2.070 63.539 61.300 0.281 0.000 1.347 1150 I CB -0.755 37.365 38.000 0.201 0.000 1.044 1150 I HN 0.305 nan 8.210 nan 0.000 0.408 1151 T N -0.163 114.426 114.554 0.059 0.000 2.737 1151 T HA -0.214 4.137 4.350 0.002 0.000 0.269 1151 T C 1.892 176.572 174.700 -0.034 0.000 1.040 1151 T CA 2.103 64.210 62.100 0.012 0.000 1.142 1151 T CB -0.448 68.400 68.868 -0.033 0.000 0.861 1151 T HN 0.411 nan 8.240 nan 0.000 0.456 1152 T N 1.530 116.036 114.554 -0.080 0.000 2.737 1152 T HA -0.014 4.337 4.350 0.002 0.000 0.265 1152 T C 1.563 176.090 174.700 -0.288 0.000 1.038 1152 T CA 0.932 62.892 62.100 -0.233 0.000 1.144 1152 T CB -0.475 68.206 68.868 -0.310 0.000 0.866 1152 T HN 0.275 nan 8.240 nan 0.000 0.434 1153 F N 1.388 121.264 119.950 -0.123 0.000 2.216 1153 F HA 0.035 4.563 4.527 0.003 0.000 0.300 1153 F C 2.528 178.218 175.800 -0.183 0.000 1.085 1153 F CA 0.653 58.562 58.000 -0.152 0.000 1.326 1153 F CB -0.426 38.582 39.000 0.013 0.000 1.027 1153 F HN 0.004 nan 8.300 nan 0.000 0.497 1154 R N -0.182 120.376 120.500 0.097 0.000 2.062 1154 R HA -0.125 4.216 4.340 0.002 0.000 0.229 1154 R C 2.240 178.508 176.300 -0.053 0.000 1.128 1154 R CA 2.036 58.187 56.100 0.084 0.000 0.960 1154 R CB -0.357 29.997 30.300 0.090 0.000 0.855 1154 R HN 0.410 nan 8.270 nan 0.000 0.432 1155 T N -4.472 110.002 114.554 -0.133 0.000 3.040 1155 T HA 0.177 4.528 4.350 0.002 0.000 0.252 1155 T C 1.223 175.752 174.700 -0.284 0.000 1.064 1155 T CA 0.583 62.589 62.100 -0.157 0.000 1.110 1155 T CB 0.622 69.426 68.868 -0.107 0.000 0.921 1155 T HN 0.375 nan 8.240 nan 0.000 0.480 1156 G N 1.919 110.484 108.800 -0.392 0.000 2.198 1156 G HA2 -0.150 3.811 3.960 0.002 0.000 0.257 1156 G HA3 -0.150 3.811 3.960 0.002 0.000 0.257 1156 G C 0.152 174.821 174.900 -0.386 0.000 1.042 1156 G CA 0.598 45.424 45.100 -0.457 0.000 0.791 1156 G HN 1.362 nan 8.290 nan 0.000 0.502 1157 T N -4.684 109.660 114.554 -0.350 0.000 2.896 1157 T HA 0.525 4.876 4.350 0.002 0.000 0.297 1157 T C 0.450 174.981 174.700 -0.282 0.000 1.108 1157 T CA -0.603 61.317 62.100 -0.301 0.000 1.004 1157 T CB 1.180 69.974 68.868 -0.124 0.000 1.159 1157 T HN 0.317 nan 8.240 nan 0.000 0.499 1158 W N 0.763 122.053 121.300 -0.016 0.000 3.391 1158 W HA 0.161 4.824 4.660 0.005 0.000 0.275 1158 W C 0.950 177.522 176.519 0.088 0.000 1.318 1158 W CA -0.472 56.906 57.345 0.054 0.000 1.665 1158 W CB -0.172 29.295 29.460 0.011 0.000 1.078 1158 W HN 0.748 nan 8.180 nan 0.000 0.732 1159 D N 0.541 121.046 120.400 0.175 0.000 2.182 1159 D HA -0.188 4.452 4.640 0.002 0.000 0.201 1159 D C 2.197 178.539 176.300 0.070 0.000 0.986 1159 D CA 1.548 55.607 54.000 0.098 0.000 0.847 1159 D CB -0.449 40.370 40.800 0.032 0.000 0.942 1159 D HN 0.229 nan 8.370 nan 0.000 0.467 1160 A N -0.565 122.276 122.820 0.036 0.000 2.119 1160 A HA -0.059 4.262 4.320 0.002 0.000 0.217 1160 A C 0.469 177.849 177.584 -0.341 0.000 1.153 1160 A CA 0.759 52.684 52.037 -0.187 0.000 0.692 1160 A CB -0.223 18.575 19.000 -0.336 0.000 0.799 1160 A HN 0.157 nan 8.150 nan 0.000 0.458 1161 Y N 0.000 120.359 120.300 0.098 0.000 2.660 1161 Y HA 0.000 4.553 4.550 0.004 0.000 0.201 1161 Y CA 0.000 58.144 58.100 0.074 0.000 1.940 1161 Y CB 0.000 38.518 38.460 0.097 0.000 1.050 1161 Y HN 0.000 nan 8.280 nan 0.000 0.758