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 1zum_1_F DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGX XXXXXXXXXX DATA SEQUENCE XXXXXXKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSXXG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GXXXXXXXRE LGEYGLQAYT KVKTVTVKVP QKNS 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.575 177.584 -0.015 0.000 1.274 7 A CA 0.000 52.050 52.037 0.021 0.000 0.836 7 A CB 0.000 19.020 19.000 0.033 0.000 0.831 8 V N 3.363 123.229 119.914 -0.080 0.000 2.588 8 V HA 0.570 4.690 4.120 -0.000 0.000 0.304 8 V C -2.186 173.790 176.094 -0.197 0.000 1.042 8 V CA -1.507 60.625 62.300 -0.280 0.000 0.877 8 V CB 1.704 33.380 31.823 -0.245 0.000 0.996 8 V HN 0.840 nan 8.190 nan 0.000 0.425 9 P HA 0.304 nan 4.420 nan 0.000 0.268 9 P C -0.169 177.136 177.300 0.008 0.000 1.205 9 P CA -0.027 63.019 63.100 -0.090 0.000 0.771 9 P CB 0.496 32.159 31.700 -0.062 0.000 0.858 10 A N 5.110 127.927 122.820 -0.005 0.000 2.546 10 A HA 0.294 4.614 4.320 -0.000 0.000 0.243 10 A C -1.703 175.808 177.584 -0.122 0.000 1.063 10 A CA -0.568 51.444 52.037 -0.040 0.000 0.757 10 A CB -0.987 17.986 19.000 -0.046 0.000 0.991 10 A HN 0.437 nan 8.150 nan 0.000 0.503 11 P HA 0.201 nan 4.420 nan 0.000 0.282 11 P C -0.941 176.139 177.300 -0.368 0.000 1.259 11 P CA -0.791 61.989 63.100 -0.534 0.000 0.826 11 P CB 0.884 31.820 31.700 -1.273 0.000 1.064 12 N N 1.230 119.755 118.700 -0.293 0.000 2.437 12 N HA 0.044 4.783 4.740 -0.000 0.000 0.243 12 N C 0.819 176.027 175.510 -0.503 0.000 1.041 12 N CA 0.071 52.959 53.050 -0.269 0.000 0.940 12 N CB 0.393 38.817 38.487 -0.104 0.000 1.133 12 N HN 0.233 nan 8.380 nan 0.000 0.506 13 Q N 1.223 120.591 119.800 -0.719 0.000 2.439 13 Q HA -0.025 4.314 4.340 -0.000 0.000 0.211 13 Q C -0.199 175.375 176.000 -0.709 0.000 0.978 13 Q CA 0.912 55.973 55.803 -1.236 0.000 0.897 13 Q CB 0.325 28.497 28.738 -0.943 0.000 0.956 13 Q HN 0.542 nan 8.270 nan 0.000 0.483 14 Q N 0.488 120.062 119.800 -0.376 0.000 2.928 14 Q HA 0.234 4.574 4.340 -0.000 0.000 0.353 14 Q C -2.474 173.447 176.000 -0.132 0.000 0.870 14 Q CA -1.559 54.122 55.803 -0.203 0.000 0.963 14 Q CB 1.295 29.940 28.738 -0.155 0.000 1.419 14 Q HN 0.205 nan 8.270 nan 0.000 0.396 15 P HA -0.008 nan 4.420 nan 0.000 0.268 15 P C -0.009 177.283 177.300 -0.014 0.000 1.205 15 P CA 0.043 63.136 63.100 -0.013 0.000 0.771 15 P CB 1.261 32.893 31.700 -0.114 0.000 0.858 16 E N 1.510 121.720 120.200 0.017 0.000 2.366 16 E HA 0.236 4.586 4.350 -0.000 0.000 0.266 16 E C -0.838 175.550 176.600 -0.354 0.000 1.051 16 E CA -0.708 55.539 56.400 -0.254 0.000 0.884 16 E CB 0.755 30.190 29.700 -0.442 0.000 1.006 16 E HN 0.148 nan 8.360 nan 0.000 0.417 17 V N 5.574 125.230 119.914 -0.430 0.000 2.394 17 V HA 0.158 4.277 4.120 -0.000 0.000 0.282 17 V C -0.075 175.725 176.094 -0.490 0.000 1.031 17 V CA -0.162 61.966 62.300 -0.288 0.000 0.881 17 V CB 0.948 32.672 31.823 -0.166 0.000 0.982 17 V HN 0.713 nan 8.190 nan 0.000 0.451 18 F N 1.502 121.472 119.950 0.033 0.000 2.727 18 F HA 0.283 4.810 4.527 -0.001 0.000 0.302 18 F C 0.861 176.542 175.800 -0.197 0.000 1.107 18 F CA -0.119 57.857 58.000 -0.040 0.000 1.277 18 F CB 0.435 39.457 39.000 0.037 0.000 1.079 18 F HN 0.376 nan 8.300 nan 0.000 0.594 19 C N 1.945 121.210 119.300 -0.059 0.000 2.364 19 C HA 0.451 4.911 4.460 -0.000 0.000 0.324 19 C C 0.215 175.027 174.990 -0.297 0.000 1.234 19 C CA -0.843 57.896 59.018 -0.466 0.000 1.417 19 C CB 0.454 27.856 27.740 -0.563 0.000 2.101 19 C HN 0.518 nan 8.230 nan 0.000 0.466 20 N N 1.075 119.588 118.700 -0.311 0.000 2.381 20 N HA 0.090 4.830 4.740 -0.000 0.000 0.257 20 N C -0.462 175.028 175.510 -0.032 0.000 1.409 20 N CA -0.284 52.685 53.050 -0.135 0.000 0.836 20 N CB 0.024 38.425 38.487 -0.143 0.000 1.384 20 N HN 0.784 nan 8.380 nan 0.000 0.490 21 Q N -0.134 119.714 119.800 0.079 0.000 2.814 21 Q HA 0.573 4.913 4.340 -0.000 0.000 0.283 21 Q C -0.504 175.832 176.000 0.560 0.000 1.071 21 Q CA -1.031 54.962 55.803 0.317 0.000 0.849 21 Q CB 1.944 30.901 28.738 0.366 0.000 1.437 21 Q HN 0.122 nan 8.270 nan 0.000 0.492 22 I N 1.156 122.012 120.570 0.477 0.000 2.474 22 I HA 0.154 4.323 4.170 -0.000 0.000 0.287 22 I C -0.722 175.636 176.117 0.401 0.000 1.048 22 I CA -0.103 61.434 61.300 0.395 0.000 1.383 22 I CB 0.440 38.599 38.000 0.264 0.000 1.412 22 I HN 0.384 nan 8.210 nan 0.000 0.531 23 F N 8.115 128.074 119.950 0.014 0.000 2.332 23 F HA 0.608 5.135 4.527 -0.001 0.000 0.368 23 F C -0.591 175.095 175.800 -0.191 0.000 1.110 23 F CA -0.389 57.391 58.000 -0.368 0.000 1.087 23 F CB 0.358 38.965 39.000 -0.655 0.000 1.235 23 F HN 0.170 nan 8.300 nan 0.000 0.470 24 I N 5.609 125.931 120.570 -0.413 0.000 2.569 24 I HA 0.215 4.385 4.170 -0.000 0.000 0.290 24 I C -0.429 175.439 176.117 -0.416 0.000 1.088 24 I CA -1.096 59.993 61.300 -0.351 0.000 1.047 24 I CB 1.828 39.643 38.000 -0.308 0.000 1.237 24 I HN 0.496 nan 8.210 nan 0.000 0.421 25 N N 4.805 123.263 118.700 -0.403 0.000 2.725 25 N HA -0.242 4.498 4.740 -0.000 0.000 0.251 25 N C 0.073 175.316 175.510 -0.444 0.000 1.031 25 N CA 1.276 54.138 53.050 -0.313 0.000 0.720 25 N CB -1.050 37.343 38.487 -0.156 0.000 0.930 25 N HN 0.944 nan 8.380 nan 0.000 0.543 26 N N -1.949 116.246 118.700 -0.842 0.000 2.713 26 N HA -0.228 4.512 4.740 -0.000 0.000 0.251 26 N C -0.941 174.124 175.510 -0.742 0.000 1.117 26 N CA 1.127 53.677 53.050 -0.834 0.000 0.770 26 N CB -0.170 38.168 38.487 -0.249 0.000 1.137 26 N HN 0.449 nan 8.380 nan 0.000 0.566 27 E N -0.599 119.098 120.200 -0.838 0.000 2.336 27 E HA 0.330 4.680 4.350 -0.000 0.000 0.267 27 E C -0.730 175.453 176.600 -0.695 0.000 0.906 27 E CA -0.464 55.589 56.400 -0.577 0.000 0.781 27 E CB 0.749 30.219 29.700 -0.384 0.000 1.261 27 E HN 0.144 nan 8.360 nan 0.000 0.436 28 W N 1.822 122.982 121.300 -0.234 0.000 2.335 28 W HA 0.285 4.945 4.660 -0.000 0.000 0.307 28 W C 0.557 176.908 176.519 -0.280 0.000 1.117 28 W CA -0.310 56.980 57.345 -0.091 0.000 1.228 28 W CB 0.769 30.243 29.460 0.023 0.000 1.240 28 W HN 0.201 nan 8.180 nan 0.000 0.468 29 H N 1.987 121.208 119.070 0.251 0.000 2.622 29 H HA 0.237 4.793 4.556 -0.000 0.000 0.363 29 H C -0.521 174.908 175.328 0.169 0.000 1.151 29 H CA -0.935 55.206 56.048 0.154 0.000 1.184 29 H CB 1.876 31.683 29.762 0.074 0.000 1.643 29 H HN 0.241 nan 8.280 nan 0.000 0.531 30 D N 0.608 121.153 120.400 0.242 0.000 2.383 30 D HA 0.294 4.933 4.640 -0.000 0.000 0.248 30 D C 0.421 176.826 176.300 0.175 0.000 1.170 30 D CA -0.394 53.713 54.000 0.177 0.000 0.977 30 D CB 1.132 42.006 40.800 0.124 0.000 1.120 30 D HN 0.612 nan 8.370 nan 0.000 0.481 31 A N 0.459 123.368 122.820 0.149 0.000 2.406 31 A HA 0.134 4.453 4.320 -0.000 0.000 0.243 31 A C 1.543 179.188 177.584 0.102 0.000 1.082 31 A CA -0.468 51.648 52.037 0.132 0.000 0.786 31 A CB 0.318 19.402 19.000 0.140 0.000 1.029 31 A HN 0.397 nan 8.150 nan 0.000 0.495 32 V N 1.852 121.815 119.914 0.082 0.000 2.392 32 V HA -0.242 3.877 4.120 -0.000 0.000 0.249 32 V C 2.762 178.892 176.094 0.060 0.000 1.059 32 V CA 2.797 65.135 62.300 0.063 0.000 1.051 32 V CB -0.843 31.008 31.823 0.046 0.000 0.658 32 V HN 1.128 nan 8.190 nan 0.000 0.455 33 S N -0.790 114.949 115.700 0.065 0.000 2.489 33 S HA -0.116 4.354 4.470 -0.000 0.000 0.228 33 S C 1.489 176.126 174.600 0.061 0.000 0.995 33 S CA 0.884 59.118 58.200 0.058 0.000 0.934 33 S CB -0.196 63.040 63.200 0.060 0.000 0.771 33 S HN 0.481 nan 8.310 nan 0.000 0.522 34 R N 0.123 120.668 120.500 0.074 0.000 3.840 34 R HA -0.111 4.229 4.340 -0.000 0.000 0.464 34 R C -0.685 175.661 176.300 0.076 0.000 0.986 34 R CA 1.301 57.444 56.100 0.072 0.000 1.305 34 R CB -2.049 28.284 30.300 0.055 0.000 1.950 34 R HN 0.546 nan 8.270 nan 0.000 0.526 35 K N 0.801 121.255 120.400 0.090 0.000 2.258 35 K HA 0.265 4.585 4.320 -0.000 0.000 0.264 35 K C 0.371 177.054 176.600 0.138 0.000 1.007 35 K CA 0.835 57.185 56.287 0.104 0.000 0.941 35 K CB 0.954 33.520 32.500 0.110 0.000 0.966 35 K HN 0.297 nan 8.250 nan 0.000 0.480 36 T N -1.046 113.589 114.554 0.136 0.000 2.896 36 T HA 0.664 5.014 4.350 -0.000 0.000 0.297 36 T C -0.714 174.115 174.700 0.215 0.000 1.108 36 T CA -1.027 61.147 62.100 0.122 0.000 1.004 36 T CB 0.797 69.671 68.868 0.010 0.000 1.159 36 T HN 0.479 nan 8.240 nan 0.000 0.499 37 F N -0.405 119.625 119.950 0.133 0.000 2.563 37 F HA 0.884 5.411 4.527 -0.000 0.000 0.316 37 F C -3.101 172.765 175.800 0.110 0.000 1.076 37 F CA -2.998 55.103 58.000 0.169 0.000 0.921 37 F CB 1.638 40.856 39.000 0.364 0.000 1.209 37 F HN 0.405 nan 8.300 nan 0.000 0.462 38 P HA 0.205 nan 4.420 nan 0.000 0.288 38 P C -0.957 176.432 177.300 0.147 0.000 1.267 38 P CA -0.204 62.931 63.100 0.058 0.000 0.815 38 P CB 2.012 33.758 31.700 0.076 0.000 0.989 39 T N 1.606 116.174 114.554 0.023 0.000 2.824 39 T HA 0.420 4.770 4.350 -0.000 0.000 0.280 39 T C -0.486 174.233 174.700 0.033 0.000 0.995 39 T CA -0.510 61.633 62.100 0.071 0.000 1.009 39 T CB 0.388 69.275 68.868 0.032 0.000 0.955 39 T HN 0.079 nan 8.240 nan 0.000 0.452 40 V N 5.314 125.252 119.914 0.040 0.000 2.612 40 V HA 0.467 4.587 4.120 -0.000 0.000 0.301 40 V C 0.419 176.520 176.094 0.012 0.000 1.046 40 V CA -1.149 61.169 62.300 0.031 0.000 0.946 40 V CB 1.741 33.603 31.823 0.065 0.000 1.003 40 V HN 0.876 nan 8.190 nan 0.000 0.459 41 N N 5.477 124.179 118.700 0.002 0.000 2.437 41 N HA 0.248 4.987 4.740 -0.000 0.000 0.243 41 N C -1.365 174.124 175.510 -0.035 0.000 1.041 41 N CA -2.120 50.922 53.050 -0.013 0.000 0.940 41 N CB 1.719 40.203 38.487 -0.005 0.000 1.133 41 N HN 0.333 nan 8.380 nan 0.000 0.506 42 P HA -0.059 nan 4.420 nan 0.000 0.225 42 P C 0.607 177.728 177.300 -0.298 0.000 1.148 42 P CA 0.814 63.889 63.100 -0.042 0.000 0.779 42 P CB 0.446 32.133 31.700 -0.021 0.000 0.780 43 S N -0.545 115.034 115.700 -0.202 0.000 2.461 43 S HA -0.036 4.434 4.470 -0.000 0.000 0.228 43 S C 1.829 176.425 174.600 -0.007 0.000 1.005 43 S CA 1.736 59.873 58.200 -0.107 0.000 0.942 43 S CB -0.636 62.619 63.200 0.092 0.000 0.776 43 S HN 0.457 nan 8.310 nan 0.000 0.514 44 T N -3.111 111.386 114.554 -0.095 0.000 2.955 44 T HA 0.462 4.812 4.350 -0.000 0.000 0.251 44 T C 1.519 176.108 174.700 -0.184 0.000 1.002 44 T CA 0.762 62.805 62.100 -0.094 0.000 0.970 44 T CB 0.330 69.174 68.868 -0.040 0.000 1.091 44 T HN 0.477 nan 8.240 nan 0.000 0.495 45 G N 1.468 110.119 108.800 -0.249 0.000 2.179 45 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.260 45 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.260 45 G C -0.165 174.695 174.900 -0.066 0.000 0.977 45 G CA 0.152 45.117 45.100 -0.224 0.000 0.641 45 G HN 0.605 nan 8.290 nan 0.000 0.533 46 E N -0.117 120.051 120.200 -0.054 0.000 2.248 46 E HA 0.499 4.849 4.350 -0.000 0.000 0.272 46 E C 0.596 177.190 176.600 -0.011 0.000 1.008 46 E CA -0.698 55.687 56.400 -0.027 0.000 0.856 46 E CB 2.036 31.718 29.700 -0.031 0.000 1.120 46 E HN 0.121 nan 8.360 nan 0.000 0.397 47 V N 3.566 123.476 119.914 -0.006 0.000 2.572 47 V HA 0.002 4.122 4.120 -0.000 0.000 0.291 47 V C 1.602 177.684 176.094 -0.021 0.000 1.039 47 V CA 0.401 62.698 62.300 -0.004 0.000 1.055 47 V CB 0.373 32.195 31.823 -0.001 0.000 0.969 47 V HN 0.628 nan 8.190 nan 0.000 0.482 48 I N 3.491 124.046 120.570 -0.026 0.000 2.385 48 I HA 0.068 4.237 4.170 -0.000 0.000 0.244 48 I C 0.989 177.069 176.117 -0.060 0.000 1.089 48 I CA 1.301 62.576 61.300 -0.041 0.000 1.410 48 I CB 0.315 38.292 38.000 -0.040 0.000 1.117 48 I HN 0.895 nan 8.210 nan 0.000 0.429 49 C N -1.942 117.316 119.300 -0.070 0.000 3.253 49 C HA 0.579 5.039 4.460 -0.000 0.000 0.362 49 C C -0.926 173.993 174.990 -0.117 0.000 1.487 49 C CA -1.006 57.958 59.018 -0.091 0.000 1.179 49 C CB 1.111 28.786 27.740 -0.109 0.000 1.660 49 C HN 0.258 nan 8.230 nan 0.000 0.438 50 Q N 0.153 119.873 119.800 -0.134 0.000 2.226 50 Q HA 0.866 5.205 4.340 -0.000 0.000 0.256 50 Q C -1.022 174.814 176.000 -0.272 0.000 0.962 50 Q CA -0.391 55.304 55.803 -0.179 0.000 0.887 50 Q CB 1.828 30.505 28.738 -0.100 0.000 1.282 50 Q HN 0.850 nan 8.270 nan 0.000 0.449 51 V N 1.578 121.206 119.914 -0.477 0.000 2.841 51 V HA 0.744 4.863 4.120 -0.000 0.000 0.310 51 V C -0.802 175.079 176.094 -0.355 0.000 1.090 51 V CA -1.054 60.941 62.300 -0.509 0.000 0.930 51 V CB 1.913 33.211 31.823 -0.876 0.000 1.014 51 V HN 0.968 nan 8.190 nan 0.000 0.425 52 A N 2.317 125.099 122.820 -0.063 0.000 2.540 52 A HA 0.281 4.601 4.320 -0.000 0.000 0.239 52 A C 0.281 178.039 177.584 0.290 0.000 1.061 52 A CA 0.254 52.359 52.037 0.114 0.000 0.758 52 A CB -0.047 19.053 19.000 0.167 0.000 0.991 52 A HN 0.902 nan 8.150 nan 0.000 0.502 53 E N 2.692 123.106 120.200 0.358 0.000 1.993 53 E HA 0.406 4.756 4.350 -0.000 0.000 0.271 53 E C 0.538 177.314 176.600 0.294 0.000 1.008 53 E CA -0.339 56.351 56.400 0.484 0.000 0.814 53 E CB 0.363 30.360 29.700 0.495 0.000 1.098 53 E HN 0.806 nan 8.360 nan 0.000 0.407 54 G N 3.490 112.452 108.800 0.271 0.000 2.483 54 G HA2 0.098 4.058 3.960 -0.000 0.000 0.248 54 G HA3 0.098 4.058 3.960 -0.000 0.000 0.248 54 G C -0.405 174.585 174.900 0.150 0.000 1.248 54 G CA -0.226 44.984 45.100 0.184 0.000 0.838 54 G HN 0.590 nan 8.290 nan 0.000 0.566 55 D N -0.266 120.201 120.400 0.112 0.000 2.837 55 D HA 0.199 4.839 4.640 -0.000 0.000 0.294 55 D C 1.282 177.626 176.300 0.073 0.000 1.158 55 D CA -0.801 53.252 54.000 0.088 0.000 1.073 55 D CB 1.653 42.497 40.800 0.073 0.000 1.419 55 D HN 0.279 nan 8.370 nan 0.000 0.584 56 K N 0.298 120.734 120.400 0.060 0.000 2.089 56 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 56 K C 1.501 178.137 176.600 0.060 0.000 1.048 56 K CA 1.770 58.092 56.287 0.057 0.000 0.926 56 K CB 0.045 32.567 32.500 0.036 0.000 0.714 56 K HN 0.321 nan 8.250 nan 0.000 0.448 57 E N 0.067 120.296 120.200 0.048 0.000 2.150 57 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 57 E C 1.609 178.230 176.600 0.036 0.000 0.985 57 E CA 1.140 57.565 56.400 0.041 0.000 0.814 57 E CB 0.067 29.787 29.700 0.032 0.000 0.752 57 E HN 0.422 nan 8.360 nan 0.000 0.466 58 D N 0.287 120.713 120.400 0.043 0.000 2.149 58 D HA -0.093 4.546 4.640 -0.000 0.000 0.201 58 D C 2.077 178.389 176.300 0.020 0.000 0.972 58 D CA 0.704 54.721 54.000 0.028 0.000 0.835 58 D CB 0.123 40.959 40.800 0.060 0.000 0.966 58 D HN 0.049 nan 8.370 nan 0.000 0.476 59 V N 1.546 121.489 119.914 0.048 0.000 2.358 59 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 59 V C 2.189 178.306 176.094 0.039 0.000 1.047 59 V CA 1.794 64.122 62.300 0.047 0.000 1.035 59 V CB -0.405 31.467 31.823 0.082 0.000 0.658 59 V HN 0.066 nan 8.190 nan 0.000 0.452 60 D N 0.028 120.485 120.400 0.095 0.000 2.117 60 D HA -0.188 4.451 4.640 -0.000 0.000 0.197 60 D C 2.211 178.528 176.300 0.028 0.000 0.987 60 D CA 1.416 55.497 54.000 0.136 0.000 0.829 60 D CB -0.081 40.808 40.800 0.149 0.000 0.961 60 D HN 0.345 nan 8.370 nan 0.000 0.460 61 K N -0.174 120.220 120.400 -0.011 0.000 2.057 61 K HA -0.066 4.254 4.320 -0.000 0.000 0.207 61 K C 2.175 178.718 176.600 -0.096 0.000 1.049 61 K CA 1.108 57.356 56.287 -0.065 0.000 0.931 61 K CB -0.160 32.274 32.500 -0.111 0.000 0.714 61 K HN 0.143 nan 8.250 nan 0.000 0.440 62 A N 0.909 123.674 122.820 -0.091 0.000 1.902 62 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 62 A C 2.335 179.852 177.584 -0.111 0.000 1.181 62 A CA 1.416 53.395 52.037 -0.098 0.000 0.623 62 A CB -0.606 18.356 19.000 -0.063 0.000 0.818 62 A HN 0.077 nan 8.150 nan 0.000 0.443 63 V N 0.136 119.960 119.914 -0.149 0.000 2.427 63 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 63 V C 2.398 178.406 176.094 -0.144 0.000 1.051 63 V CA 2.261 64.423 62.300 -0.231 0.000 1.048 63 V CB -0.660 30.817 31.823 -0.577 0.000 0.666 63 V HN 0.534 nan 8.190 nan 0.000 0.456 64 K N 0.371 120.717 120.400 -0.089 0.000 2.057 64 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 64 K C 2.339 178.918 176.600 -0.034 0.000 1.050 64 K CA 1.367 57.632 56.287 -0.037 0.000 0.935 64 K CB -0.381 32.110 32.500 -0.014 0.000 0.715 64 K HN 0.459 nan 8.250 nan 0.000 0.439 65 A N 1.627 124.411 122.820 -0.061 0.000 1.902 65 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 65 A C 2.378 179.938 177.584 -0.039 0.000 1.181 65 A CA 1.831 53.832 52.037 -0.060 0.000 0.623 65 A CB -0.645 18.294 19.000 -0.103 0.000 0.818 65 A HN 0.325 nan 8.150 nan 0.000 0.443 66 A N -0.176 122.613 122.820 -0.051 0.000 1.873 66 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 66 A C 2.180 179.792 177.584 0.047 0.000 1.186 66 A CA 2.098 54.118 52.037 -0.028 0.000 0.616 66 A CB -0.453 18.506 19.000 -0.069 0.000 0.823 66 A HN 0.456 nan 8.150 nan 0.000 0.442 67 R N 0.340 120.859 120.500 0.031 0.000 2.091 67 R HA -0.057 4.283 4.340 -0.000 0.000 0.238 67 R C 2.102 178.491 176.300 0.149 0.000 1.136 67 R CA 2.051 58.211 56.100 0.100 0.000 0.959 67 R CB -0.933 29.399 30.300 0.054 0.000 0.856 67 R HN 0.394 nan 8.270 nan 0.000 0.437 68 A N 0.167 123.039 122.820 0.087 0.000 1.902 68 A HA -0.005 4.314 4.320 -0.000 0.000 0.217 68 A C 2.352 179.999 177.584 0.106 0.000 1.181 68 A CA 1.722 53.806 52.037 0.079 0.000 0.623 68 A CB -1.047 17.976 19.000 0.038 0.000 0.818 68 A HN 0.482 nan 8.150 nan 0.000 0.443 69 A N -2.047 120.840 122.820 0.112 0.000 2.067 69 A HA 0.023 4.343 4.320 -0.000 0.000 0.219 69 A C 1.788 179.536 177.584 0.272 0.000 1.158 69 A CA 1.340 53.463 52.037 0.143 0.000 0.661 69 A CB -0.555 18.484 19.000 0.065 0.000 0.801 69 A HN 0.605 nan 8.150 nan 0.000 0.452 70 F N 0.361 120.387 119.950 0.127 0.000 2.765 70 F HA 0.178 4.705 4.527 -0.001 0.000 0.302 70 F C 0.719 176.593 175.800 0.123 0.000 1.111 70 F CA -0.189 57.913 58.000 0.170 0.000 1.359 70 F CB 0.118 39.200 39.000 0.137 0.000 1.097 70 F HN 0.105 nan 8.300 nan 0.000 0.577 71 Q N 1.595 121.431 119.800 0.061 0.000 2.361 71 Q HA 0.026 4.366 4.340 -0.000 0.000 0.276 71 Q C -0.213 175.727 176.000 -0.100 0.000 1.022 71 Q CA -0.134 55.660 55.803 -0.015 0.000 0.898 71 Q CB 0.751 29.510 28.738 0.036 0.000 1.246 71 Q HN 0.205 nan 8.270 nan 0.000 0.410 72 L N 1.622 122.776 121.223 -0.115 0.000 2.578 72 L HA 0.087 4.427 4.340 -0.000 0.000 0.279 72 L C 1.328 178.165 176.870 -0.055 0.000 1.227 72 L CA 2.239 57.014 54.840 -0.109 0.000 0.900 72 L CB 0.047 42.062 42.059 -0.074 0.000 1.144 72 L HN 0.947 nan 8.230 nan 0.000 0.496 73 G N 1.755 110.524 108.800 -0.052 0.000 2.217 73 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.246 73 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.246 73 G C 0.376 175.274 174.900 -0.003 0.000 0.990 73 G CA 0.316 45.402 45.100 -0.023 0.000 0.627 73 G HN 1.063 nan 8.290 nan 0.000 0.522 74 S N 0.786 116.489 115.700 0.004 0.000 2.589 74 S HA 0.538 5.008 4.470 -0.000 0.000 0.265 74 S C -0.591 174.054 174.600 0.075 0.000 1.342 74 S CA -0.149 58.081 58.200 0.050 0.000 1.005 74 S CB 1.791 65.041 63.200 0.085 0.000 0.909 74 S HN 0.029 nan 8.310 nan 0.000 0.555 75 P HA -0.098 nan 4.420 nan 0.000 0.215 75 P C 1.294 178.721 177.300 0.211 0.000 1.153 75 P CA 1.166 64.343 63.100 0.129 0.000 0.853 75 P CB -0.123 31.660 31.700 0.139 0.000 0.788 76 W N 0.306 121.637 121.300 0.051 0.000 2.388 76 W HA -0.130 4.529 4.660 -0.000 0.000 0.294 76 W C 1.562 178.111 176.519 0.051 0.000 1.212 76 W CA 0.710 58.104 57.345 0.082 0.000 1.271 76 W CB -0.074 29.462 29.460 0.126 0.000 1.126 76 W HN -0.149 nan 8.180 nan 0.000 0.535 77 R N 0.304 120.826 120.500 0.036 0.000 2.153 77 R HA -0.016 4.324 4.340 -0.000 0.000 0.218 77 R C 2.036 178.259 176.300 -0.129 0.000 1.072 77 R CA 0.855 56.870 56.100 -0.143 0.000 0.990 77 R CB -0.556 29.642 30.300 -0.170 0.000 0.889 77 R HN 0.316 nan 8.270 nan 0.000 0.452 78 R N -0.182 120.280 120.500 -0.064 0.000 2.223 78 R HA 0.192 4.532 4.340 -0.000 0.000 0.198 78 R C 1.104 177.367 176.300 -0.062 0.000 0.984 78 R CA -0.223 55.843 56.100 -0.056 0.000 1.018 78 R CB 0.053 30.336 30.300 -0.029 0.000 0.945 78 R HN 0.099 nan 8.270 nan 0.000 0.479 79 M N 2.367 121.930 119.600 -0.062 0.000 2.248 79 M HA -0.048 4.432 4.480 -0.000 0.000 0.343 79 M C -0.746 175.510 176.300 -0.073 0.000 1.243 79 M CA 0.495 55.766 55.300 -0.049 0.000 1.025 79 M CB 0.539 33.140 32.600 0.003 0.000 1.759 79 M HN -0.071 nan 8.290 nan 0.000 0.452 80 D N 4.045 124.427 120.400 -0.029 0.000 2.449 80 D HA 0.071 4.711 4.640 -0.000 0.000 0.236 80 D C 0.856 177.147 176.300 -0.016 0.000 1.149 80 D CA 0.649 54.640 54.000 -0.016 0.000 0.878 80 D CB 0.995 41.801 40.800 0.011 0.000 1.198 80 D HN 0.790 nan 8.370 nan 0.000 0.446 81 A N 2.038 124.843 122.820 -0.025 0.000 1.933 81 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 81 A C 2.114 179.702 177.584 0.005 0.000 1.175 81 A CA 2.087 54.108 52.037 -0.026 0.000 0.628 81 A CB -0.569 18.434 19.000 0.005 0.000 0.814 81 A HN 0.590 nan 8.150 nan 0.000 0.444 82 S N -1.120 114.597 115.700 0.027 0.000 2.399 82 S HA -0.243 4.226 4.470 -0.000 0.000 0.231 82 S C 1.840 176.466 174.600 0.042 0.000 1.022 82 S CA 1.583 59.803 58.200 0.033 0.000 0.983 82 S CB -0.699 62.524 63.200 0.038 0.000 0.803 82 S HN 0.724 nan 8.310 nan 0.000 0.480 83 H N 1.677 120.729 119.070 -0.031 0.000 2.428 83 H HA 0.226 4.781 4.556 -0.001 0.000 0.296 83 H C 2.293 177.606 175.328 -0.027 0.000 1.062 83 H CA 1.394 57.422 56.048 -0.032 0.000 1.350 83 H CB -0.065 29.675 29.762 -0.037 0.000 1.403 83 H HN 0.352 nan 8.280 nan 0.000 0.533 84 R N -0.775 119.695 120.500 -0.050 0.000 2.096 84 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 84 R C 2.494 178.811 176.300 0.027 0.000 1.127 84 R CA 1.015 57.108 56.100 -0.012 0.000 0.968 84 R CB -0.435 29.823 30.300 -0.069 0.000 0.861 84 R HN 0.405 nan 8.270 nan 0.000 0.440 85 G N 1.260 110.062 108.800 0.004 0.000 2.418 85 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 85 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 85 G C 1.438 176.322 174.900 -0.028 0.000 1.158 85 G CA 0.209 45.322 45.100 0.022 0.000 0.771 85 G HN 0.133 nan 8.290 nan 0.000 0.545 86 R N 0.200 120.626 120.500 -0.123 0.000 2.081 86 R HA 0.066 4.406 4.340 -0.000 0.000 0.235 86 R C 2.632 178.807 176.300 -0.208 0.000 1.131 86 R CA 0.590 56.588 56.100 -0.170 0.000 0.960 86 R CB -1.051 29.093 30.300 -0.260 0.000 0.856 86 R HN 0.396 nan 8.270 nan 0.000 0.436 87 L N 0.503 121.524 121.223 -0.337 0.000 2.046 87 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 87 L C 2.529 179.360 176.870 -0.064 0.000 1.077 87 L CA 1.058 55.637 54.840 -0.436 0.000 0.747 87 L CB -0.472 41.004 42.059 -0.972 0.000 0.896 87 L HN 0.110 nan 8.230 nan 0.000 0.432 88 L N -0.396 120.922 121.223 0.159 0.000 2.046 88 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 88 L C 2.360 179.331 176.870 0.168 0.000 1.077 88 L CA 0.993 56.010 54.840 0.295 0.000 0.747 88 L CB -0.532 41.692 42.059 0.275 0.000 0.896 88 L HN 0.354 nan 8.230 nan 0.000 0.432 89 N N -0.138 118.614 118.700 0.087 0.000 2.244 89 N HA -0.186 4.554 4.740 -0.000 0.000 0.183 89 N C 1.947 177.490 175.510 0.056 0.000 1.016 89 N CA 0.876 53.964 53.050 0.062 0.000 0.866 89 N CB -0.179 38.325 38.487 0.027 0.000 0.980 89 N HN 0.156 nan 8.380 nan 0.000 0.430 90 R N 1.213 121.734 120.500 0.035 0.000 2.090 90 R HA 0.021 4.361 4.340 -0.000 0.000 0.228 90 R C 1.978 178.328 176.300 0.082 0.000 1.110 90 R CA 0.701 56.821 56.100 0.033 0.000 0.973 90 R CB -0.941 29.348 30.300 -0.019 0.000 0.869 90 R HN 0.165 nan 8.270 nan 0.000 0.440 91 L N 0.310 121.620 121.223 0.146 0.000 2.046 91 L HA 0.057 4.396 4.340 -0.000 0.000 0.208 91 L C 2.068 179.009 176.870 0.118 0.000 1.077 91 L CA 2.226 57.169 54.840 0.172 0.000 0.747 91 L CB -1.079 41.139 42.059 0.266 0.000 0.896 91 L HN 0.245 nan 8.230 nan 0.000 0.432 92 A N -0.729 122.159 122.820 0.113 0.000 1.883 92 A HA -0.235 4.084 4.320 -0.000 0.000 0.217 92 A C 2.019 179.650 177.584 0.077 0.000 1.186 92 A CA 1.928 54.020 52.037 0.093 0.000 0.624 92 A CB -0.923 18.133 19.000 0.093 0.000 0.822 92 A HN 0.534 nan 8.150 nan 0.000 0.444 93 D N 0.054 120.496 120.400 0.070 0.000 2.123 93 D HA -0.128 4.512 4.640 -0.000 0.000 0.196 93 D C 1.933 178.274 176.300 0.068 0.000 0.992 93 D CA 1.084 55.120 54.000 0.061 0.000 0.833 93 D CB -0.327 40.503 40.800 0.050 0.000 0.954 93 D HN 0.475 nan 8.370 nan 0.000 0.455 94 L N 0.198 121.465 121.223 0.074 0.000 2.093 94 L HA -0.086 4.253 4.340 -0.000 0.000 0.208 94 L C 2.496 179.431 176.870 0.107 0.000 1.085 94 L CA 0.587 55.474 54.840 0.079 0.000 0.755 94 L CB -0.243 41.857 42.059 0.068 0.000 0.904 94 L HN 0.010 nan 8.230 nan 0.000 0.435 95 I N -0.085 120.549 120.570 0.107 0.000 2.315 95 I HA -0.282 3.887 4.170 -0.000 0.000 0.248 95 I C 2.611 178.793 176.117 0.108 0.000 1.117 95 I CA 1.264 62.640 61.300 0.126 0.000 1.404 95 I CB -0.125 37.935 38.000 0.099 0.000 1.071 95 I HN 0.312 nan 8.210 nan 0.000 0.419 96 E N 1.202 121.450 120.200 0.080 0.000 2.106 96 E HA -0.263 4.087 4.350 -0.000 0.000 0.192 96 E C 2.401 179.054 176.600 0.089 0.000 0.984 96 E CA 0.920 57.357 56.400 0.063 0.000 0.806 96 E CB -0.048 29.683 29.700 0.051 0.000 0.750 96 E HN 0.243 nan 8.360 nan 0.000 0.458 97 R N 0.286 120.842 120.500 0.094 0.000 2.105 97 R HA -0.142 4.198 4.340 -0.000 0.000 0.239 97 R C 0.356 176.732 176.300 0.127 0.000 1.135 97 R CA 1.805 57.964 56.100 0.098 0.000 0.967 97 R CB -0.015 30.334 30.300 0.081 0.000 0.861 97 R HN 0.161 nan 8.270 nan 0.000 0.442 98 D N -0.271 120.226 120.400 0.162 0.000 2.491 98 D HA 0.026 4.666 4.640 -0.000 0.000 0.228 98 D C 1.099 177.540 176.300 0.236 0.000 1.183 98 D CA -0.047 54.083 54.000 0.217 0.000 0.827 98 D CB 0.220 41.205 40.800 0.308 0.000 0.989 98 D HN 0.240 nan 8.370 nan 0.000 0.494 99 R N 0.411 121.020 120.500 0.181 0.000 2.080 99 R HA -0.135 4.205 4.340 -0.000 0.000 0.236 99 R C 1.432 177.889 176.300 0.261 0.000 1.137 99 R CA 1.623 57.804 56.100 0.135 0.000 0.943 99 R CB -0.086 30.225 30.300 0.018 0.000 0.846 99 R HN -0.009 nan 8.270 nan 0.000 0.431 100 T N 0.155 114.947 114.554 0.397 0.000 2.684 100 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 100 T C 1.408 176.342 174.700 0.389 0.000 1.036 100 T CA 1.699 64.095 62.100 0.494 0.000 1.148 100 T CB -0.539 68.548 68.868 0.365 0.000 0.863 100 T HN 0.423 nan 8.240 nan 0.000 0.436 101 Y N 1.660 122.062 120.300 0.170 0.000 2.114 101 Y HA -0.060 4.490 4.550 -0.000 0.000 0.284 101 Y C 2.073 178.016 175.900 0.072 0.000 1.143 101 Y CA 1.118 59.266 58.100 0.079 0.000 1.135 101 Y CB -0.589 37.855 38.460 -0.027 0.000 0.980 101 Y HN 0.096 nan 8.280 nan 0.000 0.499 102 L N -0.135 121.098 121.223 0.018 0.000 2.083 102 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 102 L C 2.765 179.621 176.870 -0.023 0.000 1.083 102 L CA 1.219 56.016 54.840 -0.071 0.000 0.752 102 L CB -0.893 41.227 42.059 0.101 0.000 0.899 102 L HN 0.412 nan 8.230 nan 0.000 0.433 103 A N -0.279 122.610 122.820 0.115 0.000 1.933 103 A HA -0.143 4.176 4.320 -0.000 0.000 0.218 103 A C 2.476 180.236 177.584 0.294 0.000 1.175 103 A CA 1.645 53.785 52.037 0.172 0.000 0.628 103 A CB -0.582 18.551 19.000 0.222 0.000 0.814 103 A HN 0.417 nan 8.150 nan 0.000 0.444 104 A N -0.766 122.267 122.820 0.356 0.000 1.929 104 A HA 0.073 4.393 4.320 -0.000 0.000 0.216 104 A C 2.075 179.744 177.584 0.141 0.000 1.176 104 A CA 1.532 53.788 52.037 0.364 0.000 0.628 104 A CB -0.496 18.616 19.000 0.185 0.000 0.816 104 A HN 0.582 nan 8.150 nan 0.000 0.444 105 L N -0.094 121.044 121.223 -0.143 0.000 2.093 105 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 105 L C 2.188 179.012 176.870 -0.077 0.000 1.085 105 L CA 2.515 57.233 54.840 -0.204 0.000 0.755 105 L CB -0.542 41.232 42.059 -0.476 0.000 0.904 105 L HN 0.501 nan 8.230 nan 0.000 0.435 106 E N -1.058 119.111 120.200 -0.052 0.000 2.051 106 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 106 E C 2.025 178.591 176.600 -0.056 0.000 0.991 106 E CA 2.036 58.413 56.400 -0.039 0.000 0.799 106 E CB -0.309 29.376 29.700 -0.024 0.000 0.748 106 E HN 0.462 nan 8.360 nan 0.000 0.449 107 T N 0.699 115.216 114.554 -0.062 0.000 2.746 107 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 107 T C 1.692 176.287 174.700 -0.175 0.000 1.039 107 T CA 1.182 63.164 62.100 -0.196 0.000 1.142 107 T CB -0.358 68.254 68.868 -0.426 0.000 0.866 107 T HN 0.106 nan 8.240 nan 0.000 0.444 108 L N 1.266 122.483 121.223 -0.010 0.000 2.012 108 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 108 L C 2.049 178.920 176.870 0.003 0.000 1.073 108 L CA 1.914 56.806 54.840 0.088 0.000 0.748 108 L CB -0.464 41.678 42.059 0.138 0.000 0.891 108 L HN 0.097 nan 8.230 nan 0.000 0.431 109 D N -1.727 118.659 120.400 -0.022 0.000 2.213 109 D HA -0.135 4.505 4.640 -0.000 0.000 0.205 109 D C 1.905 178.175 176.300 -0.050 0.000 0.961 109 D CA 0.726 54.709 54.000 -0.029 0.000 0.853 109 D CB 0.033 40.820 40.800 -0.020 0.000 0.967 109 D HN 0.414 nan 8.370 nan 0.000 0.496 110 N N -0.753 117.906 118.700 -0.069 0.000 2.482 110 N HA -0.007 4.732 4.740 -0.000 0.000 0.179 110 N C 1.371 176.806 175.510 -0.126 0.000 1.039 110 N CA 1.580 54.578 53.050 -0.087 0.000 0.884 110 N CB 0.889 39.326 38.487 -0.082 0.000 1.113 110 N HN 0.236 nan 8.380 nan 0.000 0.440 111 G N 1.450 110.163 108.800 -0.145 0.000 2.238 111 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.217 111 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.217 111 G C -0.083 174.713 174.900 -0.173 0.000 0.996 111 G CA 0.359 45.354 45.100 -0.175 0.000 0.632 111 G HN 0.682 nan 8.290 nan 0.000 0.503 112 K N 1.028 121.327 120.400 -0.168 0.000 2.380 112 K HA 0.442 4.761 4.320 -0.000 0.000 0.267 112 K C -2.678 173.844 176.600 -0.130 0.000 0.990 112 K CA -1.169 55.028 56.287 -0.151 0.000 0.946 112 K CB 0.381 32.777 32.500 -0.173 0.000 0.937 112 K HN 0.088 nan 8.250 nan 0.000 0.491 113 P HA -0.107 nan 4.420 nan 0.000 0.265 113 P C -0.297 176.990 177.300 -0.023 0.000 1.193 113 P CA -0.052 63.028 63.100 -0.033 0.000 0.765 113 P CB 0.153 31.875 31.700 0.037 0.000 0.823 114 Y N 4.568 124.771 120.300 -0.161 0.000 2.165 114 Y HA -0.252 4.298 4.550 -0.000 0.000 0.286 114 Y C 1.861 177.803 175.900 0.070 0.000 1.155 114 Y CA 1.756 59.810 58.100 -0.076 0.000 1.164 114 Y CB -0.907 37.538 38.460 -0.024 0.000 0.978 114 Y HN 0.078 nan 8.280 nan 0.000 0.513 115 V N 0.455 120.351 119.914 -0.031 0.000 2.392 115 V HA -0.338 3.782 4.120 -0.000 0.000 0.249 115 V C 2.332 178.415 176.094 -0.018 0.000 1.059 115 V CA 1.845 64.109 62.300 -0.061 0.000 1.051 115 V CB -0.636 31.223 31.823 0.061 0.000 0.658 115 V HN 0.450 nan 8.190 nan 0.000 0.455 116 I N -0.444 120.145 120.570 0.032 0.000 2.286 116 I HA -0.110 4.060 4.170 -0.000 0.000 0.245 116 I C 2.574 178.724 176.117 0.056 0.000 1.104 116 I CA 1.322 62.684 61.300 0.103 0.000 1.397 116 I CB -1.467 36.633 38.000 0.166 0.000 1.072 116 I HN 0.261 nan 8.210 nan 0.000 0.417 117 S N 0.356 116.046 115.700 -0.017 0.000 2.359 117 S HA -0.242 4.227 4.470 -0.000 0.000 0.224 117 S C 2.048 176.609 174.600 -0.066 0.000 1.035 117 S CA 1.499 59.681 58.200 -0.031 0.000 1.018 117 S CB -0.536 62.644 63.200 -0.033 0.000 0.876 117 S HN 0.443 nan 8.310 nan 0.000 0.448 118 Y N 1.637 121.769 120.300 -0.280 0.000 2.109 118 Y HA 0.010 4.560 4.550 -0.000 0.000 0.285 118 Y C 1.940 177.773 175.900 -0.110 0.000 1.131 118 Y CA 1.424 59.368 58.100 -0.261 0.000 1.121 118 Y CB -0.220 37.926 38.460 -0.524 0.000 0.987 118 Y HN 0.118 nan 8.280 nan 0.000 0.495 119 L N -1.408 119.863 121.223 0.080 0.000 2.341 119 L HA -0.077 4.263 4.340 -0.000 0.000 0.214 119 L C 1.634 178.521 176.870 0.027 0.000 1.115 119 L CA 0.331 55.213 54.840 0.070 0.000 0.820 119 L CB -0.170 41.965 42.059 0.128 0.000 0.944 119 L HN 0.164 nan 8.230 nan 0.000 0.452 120 V N -1.132 118.812 119.914 0.050 0.000 2.784 120 V HA -0.038 4.082 4.120 -0.000 0.000 0.231 120 V C 1.641 177.764 176.094 0.049 0.000 1.128 120 V CA 0.819 63.171 62.300 0.086 0.000 1.178 120 V CB -0.250 31.700 31.823 0.211 0.000 0.943 120 V HN 0.162 nan 8.190 nan 0.000 0.500 121 D N 0.913 121.352 120.400 0.064 0.000 2.103 121 D HA -0.212 4.428 4.640 -0.000 0.000 0.190 121 D C 2.017 178.294 176.300 -0.038 0.000 0.997 121 D CA 1.699 55.712 54.000 0.022 0.000 0.833 121 D CB -0.337 40.489 40.800 0.044 0.000 0.961 121 D HN 0.218 nan 8.370 nan 0.000 0.447 122 L N 0.126 121.304 121.223 -0.074 0.000 2.083 122 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 122 L C 1.939 178.751 176.870 -0.097 0.000 1.083 122 L CA 1.296 56.073 54.840 -0.106 0.000 0.752 122 L CB -0.261 41.683 42.059 -0.192 0.000 0.899 122 L HN 0.020 nan 8.230 nan 0.000 0.433 123 D N -0.515 119.823 120.400 -0.103 0.000 2.117 123 D HA -0.216 4.423 4.640 -0.000 0.000 0.197 123 D C 2.265 178.562 176.300 -0.006 0.000 0.987 123 D CA 1.431 55.397 54.000 -0.058 0.000 0.829 123 D CB 0.057 40.831 40.800 -0.042 0.000 0.961 123 D HN 0.195 nan 8.370 nan 0.000 0.460 124 M N -0.593 119.006 119.600 -0.001 0.000 2.229 124 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 124 M C 2.180 178.504 176.300 0.040 0.000 1.063 124 M CA 0.552 55.868 55.300 0.028 0.000 1.114 124 M CB 0.045 32.645 32.600 0.000 0.000 1.387 124 M HN -0.014 nan 8.290 nan 0.000 0.420 125 V N 1.038 120.952 119.914 -0.001 0.000 2.261 125 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 125 V C 2.326 178.462 176.094 0.070 0.000 1.047 125 V CA 1.741 64.052 62.300 0.019 0.000 1.015 125 V CB -0.594 31.225 31.823 -0.007 0.000 0.642 125 V HN 0.451 nan 8.190 nan 0.000 0.446 126 L N -0.565 120.687 121.223 0.048 0.000 2.012 126 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 126 L C 2.596 179.523 176.870 0.095 0.000 1.073 126 L CA 1.952 56.830 54.840 0.063 0.000 0.748 126 L CB -0.681 41.397 42.059 0.032 0.000 0.891 126 L HN 0.296 nan 8.230 nan 0.000 0.431 127 K N -0.928 119.527 120.400 0.091 0.000 2.097 127 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 127 K C 2.284 178.990 176.600 0.177 0.000 1.049 127 K CA 1.519 57.873 56.287 0.112 0.000 0.933 127 K CB -0.407 32.142 32.500 0.082 0.000 0.717 127 K HN 0.403 nan 8.250 nan 0.000 0.442 128 C N 1.080 120.510 119.300 0.216 0.000 2.453 128 C HA -0.037 4.423 4.460 -0.000 0.000 0.277 128 C C 2.394 177.629 174.990 0.408 0.000 1.262 128 C CA 0.537 59.763 59.018 0.347 0.000 1.718 128 C CB -0.898 27.096 27.740 0.423 0.000 2.031 128 C HN 0.391 nan 8.230 nan 0.000 0.480 129 L N 0.382 121.778 121.223 0.288 0.000 2.017 129 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 129 L C 3.012 180.027 176.870 0.241 0.000 1.073 129 L CA 1.829 56.827 54.840 0.264 0.000 0.745 129 L CB -0.748 41.418 42.059 0.178 0.000 0.894 129 L HN 0.329 nan 8.230 nan 0.000 0.432 130 R N -1.245 119.366 120.500 0.185 0.000 2.096 130 R HA -0.204 4.135 4.340 -0.000 0.000 0.235 130 R C 2.284 178.656 176.300 0.120 0.000 1.127 130 R CA 1.550 57.729 56.100 0.131 0.000 0.968 130 R CB -0.481 29.878 30.300 0.098 0.000 0.861 130 R HN 0.278 nan 8.270 nan 0.000 0.440 131 Y N 0.161 120.475 120.300 0.023 0.000 2.114 131 Y HA -0.280 4.270 4.550 -0.001 0.000 0.284 131 Y C 1.699 177.537 175.900 -0.103 0.000 1.143 131 Y CA 1.506 59.550 58.100 -0.093 0.000 1.135 131 Y CB -0.478 37.892 38.460 -0.151 0.000 0.980 131 Y HN 0.001 nan 8.280 nan 0.000 0.499 132 Y N -0.213 120.195 120.300 0.180 0.000 2.293 132 Y HA -0.169 4.381 4.550 -0.001 0.000 0.291 132 Y C 2.650 178.589 175.900 0.066 0.000 1.137 132 Y CA 1.043 59.221 58.100 0.130 0.000 1.202 132 Y CB -0.697 37.882 38.460 0.200 0.000 0.990 132 Y HN 0.276 nan 8.280 nan 0.000 0.537 133 A N 0.177 123.102 122.820 0.175 0.000 1.948 133 A HA -0.200 4.119 4.320 -0.000 0.000 0.220 133 A C 2.525 180.117 177.584 0.013 0.000 1.177 133 A CA 1.887 53.990 52.037 0.110 0.000 0.636 133 A CB -1.489 17.563 19.000 0.087 0.000 0.815 133 A HN 0.482 nan 8.150 nan 0.000 0.449 134 G N -2.426 106.306 108.800 -0.113 0.000 2.443 134 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.219 134 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.219 134 G C 1.332 176.067 174.900 -0.275 0.000 1.131 134 G CA 0.707 45.666 45.100 -0.236 0.000 0.775 134 G HN 0.690 nan 8.290 nan 0.000 0.547 135 W N 0.675 121.841 121.300 -0.223 0.000 2.584 135 W HA 0.277 4.937 4.660 -0.001 0.000 0.264 135 W C 2.761 179.244 176.519 -0.060 0.000 1.264 135 W CA 0.206 57.447 57.345 -0.172 0.000 1.306 135 W CB 0.283 29.630 29.460 -0.188 0.000 1.110 135 W HN 0.254 nan 8.180 nan 0.000 0.606 136 A N 1.192 124.131 122.820 0.197 0.000 1.940 136 A HA -0.299 4.020 4.320 -0.000 0.000 0.221 136 A C 1.339 178.993 177.584 0.117 0.000 1.190 136 A CA 2.459 54.583 52.037 0.144 0.000 0.647 136 A CB -0.853 18.201 19.000 0.091 0.000 0.821 136 A HN 0.370 nan 8.150 nan 0.000 0.457 137 D N -2.446 118.004 120.400 0.084 0.000 2.593 137 D HA 0.230 4.869 4.640 -0.000 0.000 0.241 137 D C 0.489 176.811 176.300 0.035 0.000 1.257 137 D CA -0.044 53.992 54.000 0.060 0.000 0.828 137 D CB 0.066 40.889 40.800 0.038 0.000 1.049 137 D HN 0.460 nan 8.370 nan 0.000 0.490 138 K N -0.629 119.808 120.400 0.062 0.000 2.477 138 K HA 0.060 4.379 4.320 -0.000 0.000 0.208 138 K C -0.525 176.005 176.600 -0.116 0.000 1.117 138 K CA -0.489 55.744 56.287 -0.091 0.000 1.039 138 K CB 0.827 33.295 32.500 -0.053 0.000 0.937 138 K HN -0.023 nan 8.250 nan 0.000 0.570 139 Y N 2.832 123.100 120.300 -0.053 0.000 2.714 139 Y HA 0.158 4.708 4.550 -0.000 0.000 0.333 139 Y C -0.435 175.446 175.900 -0.032 0.000 1.220 139 Y CA -1.297 56.793 58.100 -0.017 0.000 1.513 139 Y CB -0.877 37.601 38.460 0.030 0.000 1.435 139 Y HN 0.086 nan 8.280 nan 0.000 0.489 140 H N 1.184 120.256 119.070 0.003 0.000 2.679 140 H HA 0.448 5.003 4.556 -0.000 0.000 0.369 140 H C 0.895 175.932 175.328 -0.486 0.000 1.178 140 H CA 0.197 56.149 56.048 -0.159 0.000 1.419 140 H CB 0.818 30.539 29.762 -0.068 0.000 1.458 140 H HN 0.710 nan 8.280 nan 0.000 0.605 141 G N 0.317 108.888 108.800 -0.382 0.000 2.531 141 G HA2 0.491 4.450 3.960 -0.000 0.000 0.281 141 G HA3 0.491 4.450 3.960 -0.000 0.000 0.281 141 G C -0.793 173.975 174.900 -0.220 0.000 1.382 141 G CA -0.866 43.855 45.100 -0.632 0.000 1.045 141 G HN 0.537 nan 8.290 nan 0.000 0.533 142 K N -0.833 119.491 120.400 -0.126 0.000 2.443 142 K HA 0.549 4.869 4.320 -0.000 0.000 0.251 142 K C -0.971 175.648 176.600 0.031 0.000 0.972 142 K CA -0.709 55.560 56.287 -0.030 0.000 0.833 142 K CB 2.206 34.700 32.500 -0.010 0.000 1.317 142 K HN 0.612 nan 8.250 nan 0.000 0.441 143 T N -0.916 113.674 114.554 0.061 0.000 2.771 143 T HA 0.602 4.952 4.350 -0.000 0.000 0.281 143 T C -0.046 174.711 174.700 0.095 0.000 0.982 143 T CA -0.743 61.436 62.100 0.131 0.000 0.978 143 T CB 0.139 69.152 68.868 0.241 0.000 0.930 143 T HN 0.375 nan 8.240 nan 0.000 0.447 144 I N 4.974 125.590 120.570 0.075 0.000 2.378 144 I HA 0.348 4.518 4.170 -0.000 0.000 0.291 144 I C -1.904 174.261 176.117 0.080 0.000 0.992 144 I CA -2.784 58.548 61.300 0.052 0.000 1.154 144 I CB 2.408 40.411 38.000 0.006 0.000 1.315 144 I HN 0.490 nan 8.210 nan 0.000 0.448 145 P HA 0.170 nan 4.420 nan 0.000 0.230 145 P C -0.070 177.274 177.300 0.074 0.000 1.791 145 P CA -0.134 63.017 63.100 0.085 0.000 1.020 145 P CB -0.563 31.176 31.700 0.065 0.000 1.977 146 I N -2.151 118.466 120.570 0.079 0.000 3.004 146 I HA 0.282 4.451 4.170 -0.000 0.000 0.287 146 I C 0.087 176.270 176.117 0.110 0.000 1.144 146 I CA -0.450 60.889 61.300 0.064 0.000 1.353 146 I CB 0.299 38.311 38.000 0.020 0.000 1.417 146 I HN -0.135 nan 8.210 nan 0.000 0.602 147 D N 2.904 123.361 120.400 0.094 0.000 2.400 147 D HA 0.430 5.070 4.640 -0.000 0.000 0.238 147 D C 0.588 177.030 176.300 0.236 0.000 1.157 147 D CA 1.405 55.477 54.000 0.120 0.000 0.889 147 D CB 0.875 41.724 40.800 0.082 0.000 1.199 147 D HN 1.116 nan 8.370 nan 0.000 0.436 148 G N 1.564 110.482 108.800 0.196 0.000 2.757 148 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.638 148 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.638 148 G C -0.852 174.085 174.900 0.062 0.000 1.344 148 G CA -0.772 44.452 45.100 0.207 0.000 0.855 148 G HN 0.501 nan 8.290 nan 0.000 0.537 149 D N 0.927 121.143 120.400 -0.305 0.000 2.551 149 D HA 0.494 5.134 4.640 -0.000 0.000 0.223 149 D C -0.117 175.755 176.300 -0.713 0.000 1.144 149 D CA 0.987 54.750 54.000 -0.396 0.000 1.025 149 D CB -0.445 40.145 40.800 -0.349 0.000 1.085 149 D HN 0.287 nan 8.370 nan 0.000 0.506 150 F N 0.537 120.532 119.950 0.075 0.000 2.613 150 F HA 0.369 4.896 4.527 -0.000 0.000 0.310 150 F C -0.492 175.420 175.800 0.187 0.000 1.085 150 F CA -1.442 56.619 58.000 0.101 0.000 0.945 150 F CB 1.747 40.777 39.000 0.050 0.000 1.298 150 F HN -0.114 nan 8.300 nan 0.000 0.455 151 F N 2.239 122.333 119.950 0.240 0.000 2.402 151 F HA 0.682 5.209 4.527 -0.001 0.000 0.355 151 F C -0.598 175.323 175.800 0.203 0.000 1.123 151 F CA -1.024 57.088 58.000 0.187 0.000 1.021 151 F CB 1.194 40.292 39.000 0.164 0.000 1.160 151 F HN 0.269 nan 8.300 nan 0.000 0.451 152 S N 6.624 122.233 115.700 -0.152 0.000 2.500 152 S HA 0.820 5.290 4.470 -0.000 0.000 0.301 152 S C -1.478 172.926 174.600 -0.326 0.000 1.092 152 S CA -0.281 57.735 58.200 -0.306 0.000 1.030 152 S CB 0.733 63.850 63.200 -0.139 0.000 1.031 152 S HN 0.703 nan 8.310 nan 0.000 0.483 153 Y N -0.021 120.011 120.300 -0.447 0.000 2.638 153 Y HA 0.763 5.313 4.550 -0.000 0.000 0.335 153 Y C -0.589 175.187 175.900 -0.208 0.000 1.155 153 Y CA -1.039 56.866 58.100 -0.325 0.000 1.046 153 Y CB 0.756 38.964 38.460 -0.420 0.000 1.303 153 Y HN 0.566 nan 8.280 nan 0.000 0.460 154 T N -0.327 114.255 114.554 0.048 0.000 2.924 154 T HA 0.821 5.171 4.350 -0.000 0.000 0.291 154 T C -0.936 173.777 174.700 0.022 0.000 1.045 154 T CA -1.079 61.009 62.100 -0.020 0.000 1.015 154 T CB 2.188 71.035 68.868 -0.034 0.000 1.103 154 T HN 0.835 nan 8.240 nan 0.000 0.496 155 R N 0.223 120.732 120.500 0.014 0.000 2.621 155 R HA 0.380 4.720 4.340 -0.000 0.000 0.292 155 R C -0.887 175.464 176.300 0.085 0.000 0.969 155 R CA -0.715 55.391 56.100 0.010 0.000 0.887 155 R CB 1.575 31.927 30.300 0.086 0.000 1.180 155 R HN 0.766 nan 8.270 nan 0.000 0.450 156 H N 1.815 120.893 119.070 0.014 0.000 2.787 156 H HA 0.149 4.704 4.556 -0.000 0.000 0.275 156 H C -0.414 174.971 175.328 0.094 0.000 1.183 156 H CA -0.463 55.605 56.048 0.033 0.000 1.290 156 H CB 0.961 30.701 29.762 -0.037 0.000 1.438 156 H HN 0.335 nan 8.280 nan 0.000 0.487 157 E N 4.207 124.536 120.200 0.215 0.000 2.283 157 E HA 0.209 4.558 4.350 -0.000 0.000 0.267 157 E C -2.381 174.347 176.600 0.214 0.000 1.045 157 E CA -2.286 54.224 56.400 0.184 0.000 0.884 157 E CB 0.912 30.703 29.700 0.153 0.000 1.106 157 E HN 0.382 nan 8.360 nan 0.000 0.408 158 P HA -0.029 nan 4.420 nan 0.000 0.274 158 P C 0.466 177.915 177.300 0.248 0.000 1.231 158 P CA -0.109 63.166 63.100 0.291 0.000 0.790 158 P CB 0.687 32.657 31.700 0.449 0.000 0.951 159 V N 0.752 120.745 119.914 0.133 0.000 2.548 159 V HA 0.085 4.205 4.120 -0.000 0.000 0.249 159 V C 1.466 177.486 176.094 -0.122 0.000 1.055 159 V CA 2.450 64.770 62.300 0.034 0.000 1.065 159 V CB -1.358 30.465 31.823 -0.000 0.000 0.681 159 V HN 1.041 nan 8.190 nan 0.000 0.462 160 G N -0.720 107.854 108.800 -0.378 0.000 2.254 160 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.193 160 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.193 160 G C -0.526 173.963 174.900 -0.684 0.000 1.233 160 G CA -0.278 44.157 45.100 -1.109 0.000 1.290 160 G HN 0.209 nan 8.290 nan 0.000 0.517 161 V N 1.122 120.764 119.914 -0.453 0.000 2.427 161 V HA 0.423 4.543 4.120 -0.000 0.000 0.268 161 V C 0.398 176.417 176.094 -0.125 0.000 1.046 161 V CA -0.206 61.953 62.300 -0.235 0.000 0.970 161 V CB 0.399 32.115 31.823 -0.178 0.000 1.001 161 V HN 0.814 nan 8.190 nan 0.000 0.476 162 C N 4.833 124.097 119.300 -0.061 0.000 2.281 162 C HA 0.689 5.148 4.460 -0.000 0.000 0.325 162 C C 1.040 176.040 174.990 0.017 0.000 1.282 162 C CA -0.892 58.139 59.018 0.020 0.000 1.640 162 C CB 0.333 28.166 27.740 0.156 0.000 2.288 162 C HN 1.018 nan 8.230 nan 0.000 0.507 163 G N 3.152 111.963 108.800 0.019 0.000 2.320 163 G HA2 0.522 4.481 3.960 -0.000 0.000 0.300 163 G HA3 0.522 4.481 3.960 -0.000 0.000 0.300 163 G C -0.774 174.161 174.900 0.059 0.000 1.126 163 G CA -0.128 44.987 45.100 0.026 0.000 0.896 163 G HN 0.812 nan 8.290 nan 0.000 0.436 164 Q N 1.748 121.581 119.800 0.056 0.000 2.310 164 Q HA 0.420 4.760 4.340 -0.000 0.000 0.270 164 Q C -0.761 175.276 176.000 0.062 0.000 1.025 164 Q CA -0.446 55.398 55.803 0.067 0.000 0.772 164 Q CB 2.758 31.529 28.738 0.055 0.000 1.253 164 Q HN 0.524 nan 8.270 nan 0.000 0.450 165 I N 4.747 125.367 120.570 0.083 0.000 2.330 165 I HA 0.405 4.574 4.170 -0.000 0.000 0.289 165 I C -0.202 175.897 176.117 -0.030 0.000 1.001 165 I CA -0.770 60.581 61.300 0.086 0.000 1.193 165 I CB 0.828 38.983 38.000 0.259 0.000 1.345 165 I HN 0.537 nan 8.210 nan 0.000 0.461 166 I N 5.981 126.523 120.570 -0.047 0.000 2.562 166 I HA 0.729 4.899 4.170 -0.000 0.000 0.301 166 I C -2.587 173.437 176.117 -0.154 0.000 1.003 166 I CA -2.208 59.021 61.300 -0.118 0.000 1.127 166 I CB 1.782 39.735 38.000 -0.078 0.000 1.304 166 I HN 0.230 nan 8.210 nan 0.000 0.446 167 P HA 0.106 nan 4.420 nan 0.000 0.279 167 P C -0.070 177.042 177.300 -0.312 0.000 1.282 167 P CA -0.240 62.623 63.100 -0.394 0.000 0.788 167 P CB 0.529 31.853 31.700 -0.626 0.000 1.139 168 W N 0.786 121.981 121.300 -0.175 0.000 3.197 168 W HA 0.022 4.682 4.660 -0.001 0.000 0.274 168 W C 0.885 177.252 176.519 -0.254 0.000 1.297 168 W CA 0.249 57.484 57.345 -0.184 0.000 1.662 168 W CB -1.615 27.743 29.460 -0.172 0.000 1.106 168 W HN 0.242 nan 8.180 nan 0.000 0.663 169 N N 2.140 120.467 118.700 -0.622 0.000 2.188 169 N HA -0.177 4.563 4.740 -0.000 0.000 0.184 169 N C -0.097 174.908 175.510 -0.841 0.000 1.018 169 N CA 0.928 53.587 53.050 -0.652 0.000 0.858 169 N CB -1.171 36.795 38.487 -0.869 0.000 0.989 169 N HN 0.108 nan 8.380 nan 0.000 0.426 170 F N -0.409 119.380 119.950 -0.267 0.000 2.710 170 F HA 0.432 4.959 4.527 -0.001 0.000 0.345 170 F C -1.841 173.812 175.800 -0.246 0.000 1.362 170 F CA -2.056 55.785 58.000 -0.264 0.000 1.175 170 F CB 2.172 40.942 39.000 -0.383 0.000 1.561 170 F HN -0.153 nan 8.300 nan 0.000 0.593 171 P HA -0.217 nan 4.420 nan 0.000 0.213 171 P C 1.921 179.188 177.300 -0.056 0.000 1.176 171 P CA 1.666 64.736 63.100 -0.050 0.000 0.919 171 P CB 0.430 32.118 31.700 -0.020 0.000 0.791 172 L N -1.912 119.285 121.223 -0.044 0.000 2.017 172 L HA -0.165 4.174 4.340 -0.000 0.000 0.208 172 L C 2.473 179.274 176.870 -0.114 0.000 1.073 172 L CA 1.026 55.837 54.840 -0.049 0.000 0.745 172 L CB -1.004 41.042 42.059 -0.022 0.000 0.894 172 L HN -0.012 nan 8.230 nan 0.000 0.432 173 L N -0.764 120.347 121.223 -0.185 0.000 2.046 173 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 173 L C 2.482 179.005 176.870 -0.578 0.000 1.077 173 L CA 1.818 56.405 54.840 -0.422 0.000 0.747 173 L CB -0.436 41.270 42.059 -0.589 0.000 0.896 173 L HN 0.171 nan 8.230 nan 0.000 0.432 174 M N -0.896 118.453 119.600 -0.418 0.000 2.159 174 M HA -0.231 4.249 4.480 -0.000 0.000 0.263 174 M C 2.262 178.502 176.300 -0.099 0.000 1.063 174 M CA 1.653 56.788 55.300 -0.276 0.000 1.110 174 M CB -1.254 31.240 32.600 -0.177 0.000 1.374 174 M HN 0.522 nan 8.290 nan 0.000 0.411 175 Q N -0.066 119.678 119.800 -0.094 0.000 2.050 175 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 175 Q C 2.021 178.004 176.000 -0.028 0.000 0.980 175 Q CA 2.039 57.812 55.803 -0.050 0.000 0.840 175 Q CB -0.037 28.672 28.738 -0.049 0.000 0.898 175 Q HN 0.470 nan 8.270 nan 0.000 0.424 176 A N 0.077 122.880 122.820 -0.028 0.000 1.902 176 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 176 A C 1.596 179.281 177.584 0.167 0.000 1.181 176 A CA 1.266 53.331 52.037 0.046 0.000 0.623 176 A CB -1.137 17.891 19.000 0.047 0.000 0.818 176 A HN 0.649 nan 8.150 nan 0.000 0.443 177 W N 0.402 121.676 121.300 -0.045 0.000 2.374 177 W HA -0.051 4.609 4.660 -0.000 0.000 0.288 177 W C 2.089 178.536 176.519 -0.120 0.000 1.218 177 W CA 1.307 58.622 57.345 -0.051 0.000 1.245 177 W CB -0.247 29.181 29.460 -0.053 0.000 1.126 177 W HN 0.256 nan 8.180 nan 0.000 0.545 178 K N -0.348 120.120 120.400 0.113 0.000 2.099 178 K HA 0.067 4.387 4.320 -0.000 0.000 0.203 178 K C 2.109 178.605 176.600 -0.174 0.000 1.047 178 K CA 0.604 56.883 56.287 -0.012 0.000 0.963 178 K CB -0.981 31.534 32.500 0.025 0.000 0.759 178 K HN 0.187 nan 8.250 nan 0.000 0.451 179 L N 0.544 121.690 121.223 -0.129 0.000 2.046 179 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 179 L C 2.482 179.228 176.870 -0.206 0.000 1.077 179 L CA 1.500 56.236 54.840 -0.174 0.000 0.747 179 L CB -1.105 40.869 42.059 -0.142 0.000 0.896 179 L HN 0.292 nan 8.230 nan 0.000 0.432 180 G N 1.110 109.802 108.800 -0.180 0.000 2.586 180 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 180 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 180 G C -0.501 174.094 174.900 -0.507 0.000 1.216 180 G CA 1.172 46.147 45.100 -0.208 0.000 0.786 180 G HN 0.325 nan 8.290 nan 0.000 0.583 181 P HA 0.006 nan 4.420 nan 0.000 0.217 181 P C 2.027 178.931 177.300 -0.659 0.000 1.151 181 P CA 1.972 64.556 63.100 -0.861 0.000 0.828 181 P CB -0.139 31.053 31.700 -0.848 0.000 0.788 182 A N 0.388 122.666 122.820 -0.904 0.000 1.902 182 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 182 A C 2.451 179.938 177.584 -0.162 0.000 1.181 182 A CA 1.394 52.982 52.037 -0.747 0.000 0.623 182 A CB -1.533 17.076 19.000 -0.651 0.000 0.818 182 A HN 0.129 nan 8.150 nan 0.000 0.443 183 L N -1.117 120.072 121.223 -0.057 0.000 2.131 183 L HA -0.056 4.284 4.340 -0.000 0.000 0.206 183 L C 3.026 180.074 176.870 0.297 0.000 1.087 183 L CA 0.774 55.775 54.840 0.267 0.000 0.767 183 L CB -0.548 41.647 42.059 0.228 0.000 0.917 183 L HN 0.416 nan 8.230 nan 0.000 0.441 184 A N 0.334 123.241 122.820 0.144 0.000 1.978 184 A HA -0.193 4.126 4.320 -0.000 0.000 0.220 184 A C 2.211 179.862 177.584 0.111 0.000 1.170 184 A CA 2.185 54.318 52.037 0.159 0.000 0.636 184 A CB -0.802 18.323 19.000 0.208 0.000 0.810 184 A HN 0.507 nan 8.150 nan 0.000 0.448 185 T N -4.641 109.961 114.554 0.080 0.000 3.122 185 T HA 0.428 4.777 4.350 -0.000 0.000 0.250 185 T C 1.219 175.996 174.700 0.127 0.000 1.067 185 T CA 0.956 63.117 62.100 0.101 0.000 0.966 185 T CB 0.110 69.034 68.868 0.094 0.000 1.002 185 T HN 1.682 nan 8.240 nan 0.000 0.542 186 G N 1.546 110.426 108.800 0.134 0.000 2.136 186 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.242 186 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.242 186 G C -0.019 175.184 174.900 0.505 0.000 0.989 186 G CA -0.233 44.926 45.100 0.098 0.000 0.682 186 G HN 0.590 nan 8.290 nan 0.000 0.522 187 N N -0.576 118.409 118.700 0.474 0.000 2.379 187 N HA 0.603 5.343 4.740 -0.000 0.000 0.260 187 N C 0.531 176.302 175.510 0.434 0.000 1.254 187 N CA 0.513 53.789 53.050 0.377 0.000 0.958 187 N CB 1.780 40.373 38.487 0.176 0.000 1.208 187 N HN 0.722 nan 8.380 nan 0.000 0.532 188 V N -2.331 117.675 119.914 0.153 0.000 2.960 188 V HA 0.766 4.886 4.120 -0.000 0.000 0.315 188 V C -0.211 175.852 176.094 -0.052 0.000 1.087 188 V CA -0.728 61.583 62.300 0.018 0.000 0.982 188 V CB 1.747 33.590 31.823 0.033 0.000 1.039 188 V HN 0.258 nan 8.190 nan 0.000 0.437 189 V N 2.009 121.869 119.914 -0.091 0.000 2.789 189 V HA 0.599 4.719 4.120 -0.000 0.000 0.311 189 V C -0.675 175.380 176.094 -0.066 0.000 1.073 189 V CA -0.526 61.730 62.300 -0.073 0.000 0.921 189 V CB 2.261 34.030 31.823 -0.090 0.000 1.009 189 V HN 0.810 nan 8.190 nan 0.000 0.426 190 V N 5.252 125.138 119.914 -0.045 0.000 2.349 190 V HA 0.494 4.613 4.120 -0.000 0.000 0.284 190 V C -0.216 175.875 176.094 -0.006 0.000 1.014 190 V CA -0.252 62.029 62.300 -0.032 0.000 0.826 190 V CB 1.409 33.203 31.823 -0.049 0.000 1.009 190 V HN 0.885 nan 8.190 nan 0.000 0.431 191 M N 5.267 124.870 119.600 0.005 0.000 2.364 191 M HA 0.589 5.069 4.480 -0.000 0.000 0.334 191 M C -0.775 175.548 176.300 0.039 0.000 1.107 191 M CA -0.545 54.765 55.300 0.016 0.000 0.988 191 M CB 1.470 34.067 32.600 -0.005 0.000 1.673 191 M HN 0.394 nan 8.290 nan 0.000 0.441 192 K N 5.033 125.461 120.400 0.047 0.000 2.307 192 K HA 0.481 4.801 4.320 -0.000 0.000 0.263 192 K C -1.341 175.287 176.600 0.046 0.000 0.973 192 K CA -0.379 55.944 56.287 0.059 0.000 0.846 192 K CB 1.136 33.678 32.500 0.070 0.000 1.100 192 K HN 0.678 nan 8.250 nan 0.000 0.438 193 V N 0.648 120.593 119.914 0.052 0.000 2.834 193 V HA 0.725 4.845 4.120 -0.000 0.000 0.313 193 V C 0.304 176.413 176.094 0.025 0.000 1.060 193 V CA -1.242 61.082 62.300 0.040 0.000 0.989 193 V CB 1.268 33.127 31.823 0.061 0.000 1.041 193 V HN 0.735 nan 8.190 nan 0.000 0.459 194 A N 2.314 125.148 122.820 0.024 0.000 2.477 194 A HA 0.302 4.622 4.320 -0.000 0.000 0.246 194 A C 1.291 178.855 177.584 -0.034 0.000 1.078 194 A CA 0.308 52.356 52.037 0.019 0.000 0.770 194 A CB -0.031 19.053 19.000 0.139 0.000 1.011 194 A HN 1.161 nan 8.150 nan 0.000 0.494 195 E N 1.931 121.986 120.200 -0.243 0.000 2.209 195 E HA -0.310 4.039 4.350 -0.000 0.000 0.196 195 E C 1.016 177.550 176.600 -0.110 0.000 0.993 195 E CA 1.851 57.971 56.400 -0.467 0.000 0.819 195 E CB -0.211 28.722 29.700 -1.279 0.000 0.745 195 E HN 0.817 nan 8.360 nan 0.000 0.477 196 Q N 0.604 120.344 119.800 -0.099 0.000 2.245 196 Q HA -0.004 4.336 4.340 -0.000 0.000 0.201 196 Q C 0.683 176.684 176.000 0.001 0.000 0.955 196 Q CA 1.693 57.447 55.803 -0.082 0.000 0.870 196 Q CB 0.529 29.123 28.738 -0.240 0.000 0.945 196 Q HN 0.479 nan 8.270 nan 0.000 0.461 197 T N -3.722 110.865 114.554 0.055 0.000 3.583 197 T HA 0.288 4.637 4.350 -0.000 0.000 0.266 197 T C -2.499 172.242 174.700 0.069 0.000 1.296 197 T CA -1.267 60.867 62.100 0.056 0.000 1.668 197 T CB 1.139 70.044 68.868 0.062 0.000 0.832 197 T HN -0.050 nan 8.240 nan 0.000 0.649 198 P HA 0.232 nan 4.420 nan 0.000 0.245 198 P C 1.566 178.920 177.300 0.091 0.000 1.199 198 P CA -0.140 63.028 63.100 0.112 0.000 0.807 198 P CB 0.371 32.185 31.700 0.189 0.000 1.002 199 L N 0.602 121.862 121.223 0.060 0.000 1.994 199 L HA -0.144 4.195 4.340 -0.000 0.000 0.208 199 L C 2.827 179.759 176.870 0.104 0.000 1.071 199 L CA 2.627 57.504 54.840 0.061 0.000 0.745 199 L CB -2.124 39.946 42.059 0.017 0.000 0.892 199 L HN 0.091 nan 8.230 nan 0.000 0.431 200 T N -2.101 112.499 114.554 0.076 0.000 2.788 200 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 200 T C 1.970 176.755 174.700 0.142 0.000 1.044 200 T CA 0.993 63.157 62.100 0.107 0.000 1.139 200 T CB -0.462 68.434 68.868 0.046 0.000 0.867 200 T HN 0.322 nan 8.240 nan 0.000 0.454 201 A N 1.645 124.521 122.820 0.093 0.000 1.933 201 A HA 0.172 4.492 4.320 -0.000 0.000 0.218 201 A C 2.443 180.077 177.584 0.084 0.000 1.175 201 A CA 1.281 53.357 52.037 0.065 0.000 0.628 201 A CB -0.862 18.163 19.000 0.040 0.000 0.814 201 A HN 0.557 nan 8.150 nan 0.000 0.444 202 L N -2.417 118.901 121.223 0.158 0.000 2.093 202 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 202 L C 2.554 179.595 176.870 0.285 0.000 1.085 202 L CA 1.510 56.511 54.840 0.268 0.000 0.755 202 L CB -0.599 41.627 42.059 0.279 0.000 0.904 202 L HN 0.563 nan 8.230 nan 0.000 0.435 203 Y N 0.176 120.562 120.300 0.143 0.000 2.242 203 Y HA -0.184 4.366 4.550 -0.001 0.000 0.291 203 Y C 2.357 178.327 175.900 0.116 0.000 1.137 203 Y CA 1.235 59.434 58.100 0.165 0.000 1.181 203 Y CB -0.083 38.528 38.460 0.251 0.000 0.989 203 Y HN -0.165 nan 8.280 nan 0.000 0.527 204 V N 0.241 120.223 119.914 0.112 0.000 2.490 204 V HA -0.317 3.803 4.120 -0.000 0.000 0.250 204 V C 2.619 178.598 176.094 -0.192 0.000 1.061 204 V CA 1.603 63.892 62.300 -0.019 0.000 1.064 204 V CB -1.427 30.406 31.823 0.016 0.000 0.670 204 V HN 0.564 nan 8.190 nan 0.000 0.461 205 A N 0.251 122.898 122.820 -0.289 0.000 1.940 205 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 205 A C 2.063 179.258 177.584 -0.647 0.000 1.176 205 A CA 2.273 53.828 52.037 -0.803 0.000 0.631 205 A CB -0.771 17.394 19.000 -1.392 0.000 0.814 205 A HN 0.575 nan 8.150 nan 0.000 0.446 206 N N 0.005 118.587 118.700 -0.196 0.000 2.166 206 N HA -0.075 4.665 4.740 -0.000 0.000 0.186 206 N C 1.535 176.972 175.510 -0.120 0.000 1.019 206 N CA 1.399 54.443 53.050 -0.011 0.000 0.856 206 N CB -0.350 38.070 38.487 -0.110 0.000 0.993 206 N HN 0.518 nan 8.380 nan 0.000 0.426 207 L N -0.204 120.890 121.223 -0.215 0.000 2.156 207 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 207 L C 2.021 178.890 176.870 -0.001 0.000 1.095 207 L CA 0.636 55.414 54.840 -0.105 0.000 0.770 207 L CB -0.352 41.660 42.059 -0.077 0.000 0.914 207 L HN 0.187 nan 8.230 nan 0.000 0.439 208 I N 0.274 120.815 120.570 -0.049 0.000 2.226 208 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 208 I C 2.775 179.016 176.117 0.207 0.000 1.100 208 I CA 1.419 62.746 61.300 0.046 0.000 1.374 208 I CB -0.268 37.610 38.000 -0.203 0.000 1.057 208 I HN 0.277 nan 8.210 nan 0.000 0.413 209 K N 1.257 121.753 120.400 0.160 0.000 2.026 209 K HA -0.264 4.055 4.320 -0.000 0.000 0.208 209 K C 2.106 178.786 176.600 0.135 0.000 1.048 209 K CA 1.837 58.245 56.287 0.203 0.000 0.929 209 K CB -0.163 32.485 32.500 0.247 0.000 0.713 209 K HN 0.254 nan 8.250 nan 0.000 0.439 210 E N -0.092 120.163 120.200 0.092 0.000 2.160 210 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 210 E C 1.632 178.273 176.600 0.068 0.000 0.991 210 E CA 1.053 57.489 56.400 0.061 0.000 0.810 210 E CB -0.121 29.592 29.700 0.021 0.000 0.742 210 E HN 0.469 nan 8.360 nan 0.000 0.466 211 A N -0.049 122.835 122.820 0.106 0.000 2.067 211 A HA 0.080 4.400 4.320 -0.000 0.000 0.219 211 A C 1.865 179.455 177.584 0.010 0.000 1.158 211 A CA 1.350 53.438 52.037 0.085 0.000 0.661 211 A CB -0.403 18.715 19.000 0.196 0.000 0.801 211 A HN 0.533 nan 8.150 nan 0.000 0.452 212 G N -2.771 106.065 108.800 0.061 0.000 2.154 212 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.186 212 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.186 212 G C -0.035 174.866 174.900 0.001 0.000 1.000 212 G CA -0.203 44.908 45.100 0.019 0.000 0.664 212 G HN 0.268 nan 8.290 nan 0.000 0.513 213 F N 1.483 121.452 119.950 0.032 0.000 2.529 213 F HA 0.414 4.941 4.527 -0.001 0.000 0.365 213 F C -1.111 174.671 175.800 -0.030 0.000 1.102 213 F CA -1.354 56.637 58.000 -0.015 0.000 1.271 213 F CB 0.422 39.345 39.000 -0.129 0.000 1.120 213 F HN -0.095 nan 8.300 nan 0.000 0.579 214 P HA 0.051 nan 4.420 nan 0.000 0.267 214 P C -2.525 174.777 177.300 0.003 0.000 1.200 214 P CA -0.788 62.361 63.100 0.081 0.000 0.772 214 P CB 0.059 31.840 31.700 0.136 0.000 0.855 215 P HA 0.033 nan 4.420 nan 0.000 0.265 215 P C 1.001 178.243 177.300 -0.096 0.000 1.193 215 P CA 1.307 64.359 63.100 -0.080 0.000 0.765 215 P CB 0.112 31.770 31.700 -0.070 0.000 0.823 216 G N 1.319 110.031 108.800 -0.146 0.000 2.225 216 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.254 216 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.254 216 G C 1.037 175.847 174.900 -0.149 0.000 0.988 216 G CA 0.260 45.283 45.100 -0.128 0.000 0.625 216 G HN 0.408 nan 8.290 nan 0.000 0.527 217 V N -0.133 119.642 119.914 -0.232 0.000 2.427 217 V HA 0.085 4.205 4.120 -0.000 0.000 0.248 217 V C 1.407 177.308 176.094 -0.322 0.000 1.051 217 V CA 2.004 64.045 62.300 -0.432 0.000 1.048 217 V CB 0.137 31.444 31.823 -0.861 0.000 0.666 217 V HN 0.407 nan 8.190 nan 0.000 0.456 218 V N 1.464 121.248 119.914 -0.217 0.000 2.531 218 V HA 0.486 4.606 4.120 -0.000 0.000 0.301 218 V C -0.848 175.274 176.094 0.047 0.000 1.034 218 V CA -0.806 61.413 62.300 -0.136 0.000 0.865 218 V CB 1.840 33.532 31.823 -0.219 0.000 0.995 218 V HN 0.418 nan 8.190 nan 0.000 0.424 219 N N 5.220 123.937 118.700 0.029 0.000 2.296 219 N HA 0.639 5.379 4.740 -0.000 0.000 0.294 219 N C -1.266 174.302 175.510 0.096 0.000 1.033 219 N CA -0.423 52.683 53.050 0.093 0.000 0.839 219 N CB 3.078 41.549 38.487 -0.026 0.000 1.395 219 N HN 0.494 nan 8.380 nan 0.000 0.479 220 I N 1.617 122.289 120.570 0.170 0.000 2.418 220 I HA 0.305 4.475 4.170 -0.000 0.000 0.287 220 I C -0.445 175.763 176.117 0.152 0.000 1.008 220 I CA -0.964 60.407 61.300 0.118 0.000 1.104 220 I CB 2.035 40.081 38.000 0.078 0.000 1.264 220 I HN 0.066 nan 8.210 nan 0.000 0.438 221 V N 8.026 128.012 119.914 0.120 0.000 2.284 221 V HA 0.291 4.411 4.120 -0.000 0.000 0.274 221 V C -2.070 174.115 176.094 0.153 0.000 1.023 221 V CA -1.563 60.820 62.300 0.137 0.000 0.808 221 V CB 0.907 32.789 31.823 0.099 0.000 1.035 221 V HN 0.563 nan 8.190 nan 0.000 0.445 222 P HA 0.591 nan 4.420 nan 0.000 0.274 222 P C 0.278 177.725 177.300 0.246 0.000 1.237 222 P CA 0.494 63.737 63.100 0.239 0.000 0.793 222 P CB 2.062 33.962 31.700 0.334 0.000 0.977 223 G N -0.032 108.814 108.800 0.076 0.000 2.368 223 G HA2 0.297 4.257 3.960 -0.000 0.000 0.269 223 G HA3 0.297 4.257 3.960 -0.000 0.000 0.269 223 G C -1.855 172.833 174.900 -0.353 0.000 1.291 223 G CA -0.718 44.354 45.100 -0.046 0.000 0.903 223 G HN 0.287 nan 8.290 nan 0.000 0.483 224 F N 0.601 120.444 119.950 -0.177 0.000 2.497 224 F HA 0.621 5.148 4.527 -0.001 0.000 0.331 224 F C 1.675 177.446 175.800 -0.048 0.000 1.060 224 F CA 0.524 58.435 58.000 -0.147 0.000 0.989 224 F CB 1.765 40.669 39.000 -0.159 0.000 1.245 224 F HN 0.705 nan 8.300 nan 0.000 0.486 225 G N 0.828 109.714 108.800 0.143 0.000 2.480 225 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.216 225 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.216 225 G C -0.918 174.030 174.900 0.079 0.000 1.200 225 G CA 0.748 45.910 45.100 0.105 0.000 0.782 225 G HN 0.506 nan 8.290 nan 0.000 0.554 226 P HA -0.035 nan 4.420 nan 0.000 0.221 226 P C 1.837 179.159 177.300 0.035 0.000 1.145 226 P CA 2.044 65.166 63.100 0.036 0.000 0.795 226 P CB -0.010 31.706 31.700 0.026 0.000 0.775 227 T N -3.741 110.851 114.554 0.064 0.000 3.535 227 T HA 0.290 4.640 4.350 -0.000 0.000 0.223 227 T C 1.956 176.696 174.700 0.067 0.000 0.933 227 T CA 0.549 62.684 62.100 0.059 0.000 1.445 227 T CB -1.171 67.739 68.868 0.070 0.000 1.286 227 T HN -0.104 nan 8.240 nan 0.000 0.436 228 A N 1.793 124.666 122.820 0.089 0.000 1.883 228 A HA 0.182 4.502 4.320 -0.000 0.000 0.217 228 A C 2.636 180.264 177.584 0.073 0.000 1.186 228 A CA 2.179 54.266 52.037 0.085 0.000 0.624 228 A CB -1.805 17.251 19.000 0.095 0.000 0.822 228 A HN 0.728 nan 8.150 nan 0.000 0.444 229 G N -0.652 108.192 108.800 0.073 0.000 2.421 229 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.216 229 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.216 229 G C 1.786 176.711 174.900 0.042 0.000 1.171 229 G CA 1.611 46.753 45.100 0.071 0.000 0.775 229 G HN 0.853 nan 8.290 nan 0.000 0.543 230 A N 1.164 123.999 122.820 0.024 0.000 1.902 230 A HA 0.248 4.568 4.320 -0.000 0.000 0.217 230 A C 2.822 180.419 177.584 0.023 0.000 1.181 230 A CA 2.300 54.339 52.037 0.004 0.000 0.623 230 A CB -0.812 18.186 19.000 -0.003 0.000 0.818 230 A HN 0.843 nan 8.150 nan 0.000 0.443 231 A N -0.121 122.724 122.820 0.042 0.000 1.940 231 A HA -0.105 4.214 4.320 -0.000 0.000 0.219 231 A C 2.119 179.759 177.584 0.094 0.000 1.176 231 A CA 1.577 53.650 52.037 0.060 0.000 0.631 231 A CB -0.583 18.460 19.000 0.071 0.000 0.814 231 A HN 0.515 nan 8.150 nan 0.000 0.446 232 I N -0.448 120.171 120.570 0.081 0.000 2.202 232 I HA -0.247 3.922 4.170 -0.000 0.000 0.242 232 I C 2.932 179.094 176.117 0.075 0.000 1.091 232 I CA 1.030 62.378 61.300 0.080 0.000 1.368 232 I CB -0.301 37.734 38.000 0.059 0.000 1.058 232 I HN 0.350 nan 8.210 nan 0.000 0.410 233 A N 0.397 123.246 122.820 0.048 0.000 2.019 233 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 233 A C 2.358 179.958 177.584 0.027 0.000 1.164 233 A CA 2.044 54.096 52.037 0.026 0.000 0.644 233 A CB -0.563 18.430 19.000 -0.011 0.000 0.805 233 A HN 0.532 nan 8.150 nan 0.000 0.449 234 S N -1.795 113.925 115.700 0.034 0.000 2.535 234 S HA 0.068 4.538 4.470 -0.000 0.000 0.214 234 S C 0.737 175.354 174.600 0.028 0.000 0.980 234 S CA -0.345 57.865 58.200 0.016 0.000 0.907 234 S CB -0.496 62.699 63.200 -0.008 0.000 0.790 234 S HN 0.579 nan 8.310 nan 0.000 0.510 235 H N 2.195 121.262 119.070 -0.006 0.000 2.964 235 H HA 0.191 4.747 4.556 -0.000 0.000 0.328 235 H C 1.001 176.325 175.328 -0.006 0.000 1.030 235 H CA 0.731 56.777 56.048 -0.004 0.000 1.445 235 H CB 0.984 30.744 29.762 -0.003 0.000 1.449 235 H HN 0.295 nan 8.280 nan 0.000 0.581 236 E N 2.533 122.746 120.200 0.022 0.000 2.268 236 E HA -0.133 4.216 4.350 -0.000 0.000 0.195 236 E C 0.805 177.515 176.600 0.183 0.000 0.995 236 E CA 1.062 57.506 56.400 0.072 0.000 0.836 236 E CB 0.211 29.895 29.700 -0.027 0.000 0.763 236 E HN 0.598 nan 8.360 nan 0.000 0.491 237 D N -1.128 119.525 120.400 0.422 0.000 2.368 237 D HA 0.062 4.702 4.640 -0.000 0.000 0.218 237 D C -0.958 175.362 176.300 0.034 0.000 1.112 237 D CA -0.035 54.075 54.000 0.184 0.000 0.834 237 D CB 0.554 41.453 40.800 0.164 0.000 0.953 237 D HN -0.124 nan 8.370 nan 0.000 0.505 238 V N 1.577 121.521 119.914 0.051 0.000 2.383 238 V HA 0.122 4.242 4.120 -0.000 0.000 0.275 238 V C 0.881 176.967 176.094 -0.013 0.000 1.036 238 V CA -0.387 61.898 62.300 -0.026 0.000 0.889 238 V CB 1.720 33.539 31.823 -0.007 0.000 0.985 238 V HN 0.082 nan 8.190 nan 0.000 0.459 239 D N 3.337 123.707 120.400 -0.051 0.000 2.249 239 D HA 0.026 4.666 4.640 -0.000 0.000 0.205 239 D C 0.748 177.021 176.300 -0.045 0.000 0.962 239 D CA 0.921 54.892 54.000 -0.048 0.000 0.860 239 D CB 0.724 41.475 40.800 -0.082 0.000 0.955 239 D HN 0.483 nan 8.370 nan 0.000 0.505 240 K N 0.494 120.867 120.400 -0.046 0.000 2.525 240 K HA 0.393 4.713 4.320 -0.000 0.000 0.254 240 K C -2.011 174.576 176.600 -0.021 0.000 0.934 240 K CA -0.593 55.664 56.287 -0.051 0.000 0.802 240 K CB 3.125 35.570 32.500 -0.092 0.000 1.295 240 K HN -0.200 nan 8.250 nan 0.000 0.433 241 V N 2.791 122.696 119.914 -0.014 0.000 2.531 241 V HA 0.817 4.937 4.120 -0.000 0.000 0.301 241 V C -1.473 174.642 176.094 0.035 0.000 1.034 241 V CA -0.304 62.010 62.300 0.024 0.000 0.865 241 V CB 1.432 33.275 31.823 0.034 0.000 0.995 241 V HN 0.887 nan 8.190 nan 0.000 0.424 242 A N 6.865 129.727 122.820 0.070 0.000 2.310 242 A HA 0.786 5.105 4.320 -0.000 0.000 0.304 242 A C -1.204 176.467 177.584 0.146 0.000 1.231 242 A CA -0.429 51.658 52.037 0.084 0.000 0.799 242 A CB 0.762 19.805 19.000 0.071 0.000 1.162 242 A HN 1.099 nan 8.150 nan 0.000 0.486 243 F N 2.585 122.540 119.950 0.009 0.000 2.469 243 F HA 0.734 5.260 4.527 -0.000 0.000 0.332 243 F C -0.233 175.575 175.800 0.014 0.000 1.103 243 F CA -0.034 57.971 58.000 0.010 0.000 0.979 243 F CB 2.140 41.142 39.000 0.004 0.000 1.137 243 F HN 0.387 nan 8.300 nan 0.000 0.463 244 T N 4.289 118.261 114.554 -0.970 0.000 2.949 244 T HA 0.763 5.113 4.350 -0.000 0.000 0.300 244 T C -0.378 173.678 174.700 -1.073 0.000 0.988 244 T CA -0.541 61.125 62.100 -0.723 0.000 0.993 244 T CB 0.996 69.685 68.868 -0.298 0.000 0.984 244 T HN 1.120 nan 8.240 nan 0.000 0.442 264 R N 1.889 122.368 120.500 -0.034 0.000 2.265 264 R HA 0.387 4.727 4.340 -0.000 0.000 0.314 264 R C -1.266 175.006 176.300 -0.046 0.000 1.053 264 R CA -0.338 55.733 56.100 -0.048 0.000 0.931 264 R CB 0.963 31.219 30.300 -0.073 0.000 1.024 264 R HN 0.447 nan 8.270 nan 0.000 0.457 265 V N 3.487 123.379 119.914 -0.038 0.000 2.604 265 V HA 0.446 4.566 4.120 -0.000 0.000 0.305 265 V C -0.245 175.836 176.094 -0.021 0.000 1.043 265 V CA -0.747 61.540 62.300 -0.022 0.000 0.888 265 V CB 2.045 33.861 31.823 -0.013 0.000 0.995 265 V HN 0.963 nan 8.190 nan 0.000 0.429 266 T N 2.384 116.938 114.554 0.000 0.000 2.928 266 T HA 0.698 5.048 4.350 -0.000 0.000 0.296 266 T C -1.121 173.623 174.700 0.072 0.000 1.000 266 T CA -0.569 61.535 62.100 0.007 0.000 0.989 266 T CB 1.098 69.947 68.868 -0.032 0.000 1.005 266 T HN 0.389 nan 8.240 nan 0.000 0.442 267 L N 3.090 124.363 121.223 0.083 0.000 2.280 267 L HA 0.483 4.823 4.340 -0.000 0.000 0.287 267 L C -0.019 176.917 176.870 0.111 0.000 1.023 267 L CA -0.704 54.239 54.840 0.172 0.000 0.819 267 L CB 1.448 43.607 42.059 0.166 0.000 1.212 267 L HN 0.774 nan 8.230 nan 0.000 0.420 268 E N 5.653 125.909 120.200 0.093 0.000 2.028 268 E HA 0.480 4.829 4.350 -0.000 0.000 0.266 268 E C -0.938 175.682 176.600 0.034 0.000 0.962 268 E CA -0.213 56.208 56.400 0.034 0.000 0.784 268 E CB 1.114 30.826 29.700 0.021 0.000 1.114 268 E HN 0.443 nan 8.360 nan 0.000 0.414 269 L N 1.227 122.492 121.223 0.071 0.000 2.303 269 L HA 0.827 5.167 4.340 -0.000 0.000 0.266 269 L C 0.540 177.483 176.870 0.123 0.000 1.011 269 L CA -1.148 53.757 54.840 0.108 0.000 0.818 269 L CB 1.829 43.973 42.059 0.141 0.000 1.326 269 L HN 0.468 nan 8.230 nan 0.000 0.435 270 G N -0.906 108.016 108.800 0.203 0.000 2.642 270 G HA2 0.783 4.743 3.960 -0.000 0.000 0.293 270 G HA3 0.783 4.743 3.960 -0.000 0.000 0.293 270 G C -1.185 173.837 174.900 0.204 0.000 1.341 270 G CA -0.577 44.654 45.100 0.219 0.000 0.916 270 G HN 0.906 nan 8.290 nan 0.000 0.474 271 G N -0.545 108.320 108.800 0.108 0.000 2.380 271 G HA2 0.498 4.457 3.960 -0.000 0.000 0.305 271 G HA3 0.498 4.457 3.960 -0.000 0.000 0.305 271 G C -0.284 174.605 174.900 -0.018 0.000 1.672 271 G CA -0.256 44.835 45.100 -0.016 0.000 0.904 271 G HN 1.198 nan 8.290 nan 0.000 0.686 272 K N -0.250 120.104 120.400 -0.077 0.000 3.035 272 K HA -0.153 4.167 4.320 -0.000 0.000 0.262 272 K C 0.808 177.437 176.600 0.048 0.000 1.024 272 K CA 1.029 57.293 56.287 -0.038 0.000 0.748 272 K CB -1.602 30.871 32.500 -0.044 0.000 1.247 272 K HN 0.867 nan 8.250 nan 0.000 0.482 273 S N 2.022 117.783 115.700 0.102 0.000 2.525 273 S HA 0.132 4.601 4.470 -0.000 0.000 0.285 273 S C -2.009 172.722 174.600 0.219 0.000 1.283 273 S CA -0.652 57.659 58.200 0.185 0.000 1.072 273 S CB 0.608 63.993 63.200 0.309 0.000 0.867 273 S HN 0.180 nan 8.310 nan 0.000 0.492 274 P HA 0.190 nan 4.420 nan 0.000 0.292 274 P C -1.091 176.414 177.300 0.342 0.000 1.287 274 P CA -0.615 62.673 63.100 0.314 0.000 0.800 274 P CB 0.489 32.359 31.700 0.283 0.000 0.945 275 N N 3.866 122.773 118.700 0.345 0.000 2.511 275 N HA 0.320 5.060 4.740 -0.000 0.000 0.249 275 N C -0.795 174.901 175.510 0.310 0.000 0.971 275 N CA -0.638 52.628 53.050 0.360 0.000 0.938 275 N CB 0.475 39.080 38.487 0.196 0.000 1.131 275 N HN 0.309 nan 8.380 nan 0.000 0.505 276 I N 4.799 125.555 120.570 0.309 0.000 2.304 276 I HA 0.263 4.433 4.170 -0.000 0.000 0.291 276 I C -0.193 176.109 176.117 0.308 0.000 1.018 276 I CA -0.686 60.751 61.300 0.228 0.000 1.260 276 I CB 1.039 39.060 38.000 0.035 0.000 1.390 276 I HN 0.387 nan 8.210 nan 0.000 0.475 277 I N 7.128 127.859 120.570 0.269 0.000 2.306 277 I HA 0.301 4.471 4.170 -0.000 0.000 0.288 277 I C 0.217 176.513 176.117 0.297 0.000 1.036 277 I CA -0.581 60.846 61.300 0.211 0.000 1.221 277 I CB 0.618 38.523 38.000 -0.158 0.000 1.385 277 I HN 0.465 nan 8.210 nan 0.000 0.472 278 M N 3.812 123.599 119.600 0.311 0.000 2.228 278 M HA 0.122 4.601 4.480 -0.000 0.000 0.326 278 M C 1.700 178.093 176.300 0.155 0.000 1.122 278 M CA 0.010 55.472 55.300 0.271 0.000 1.161 278 M CB 0.657 33.399 32.600 0.238 0.000 1.437 278 M HN 0.676 nan 8.290 nan 0.000 0.465 279 S N 0.390 116.139 115.700 0.081 0.000 2.442 279 S HA -0.151 4.319 4.470 -0.000 0.000 0.236 279 S C 0.816 175.467 174.600 0.085 0.000 1.007 279 S CA 1.346 59.578 58.200 0.053 0.000 0.965 279 S CB -0.495 62.709 63.200 0.007 0.000 0.773 279 S HN 0.749 nan 8.310 nan 0.000 0.504 280 D N 1.551 122.013 120.400 0.103 0.000 2.342 280 D HA 0.361 5.001 4.640 -0.000 0.000 0.221 280 D C 0.550 176.935 176.300 0.142 0.000 1.101 280 D CA 0.083 54.145 54.000 0.105 0.000 0.837 280 D CB -0.265 40.587 40.800 0.086 0.000 0.938 280 D HN 0.501 nan 8.370 nan 0.000 0.508 281 A N 0.542 123.473 122.820 0.185 0.000 2.366 281 A HA 0.137 4.457 4.320 -0.000 0.000 0.249 281 A C 0.333 178.064 177.584 0.245 0.000 1.084 281 A CA -0.382 51.808 52.037 0.256 0.000 0.794 281 A CB 0.244 19.446 19.000 0.337 0.000 1.034 281 A HN 0.186 nan 8.150 nan 0.000 0.491 282 D N 1.885 122.461 120.400 0.294 0.000 2.363 282 D HA 0.065 4.704 4.640 -0.000 0.000 0.263 282 D C 1.039 177.515 176.300 0.293 0.000 1.258 282 D CA -0.135 54.024 54.000 0.264 0.000 0.907 282 D CB 0.542 41.516 40.800 0.290 0.000 1.107 282 D HN 0.482 nan 8.370 nan 0.000 0.495 283 M N 4.410 124.138 119.600 0.214 0.000 2.065 283 M HA -0.194 4.286 4.480 -0.000 0.000 0.259 283 M C 1.167 177.562 176.300 0.159 0.000 1.069 283 M CA 1.664 57.079 55.300 0.191 0.000 1.110 283 M CB -0.287 32.395 32.600 0.136 0.000 1.328 283 M HN 0.317 nan 8.290 nan 0.000 0.405 284 D N -0.777 119.713 120.400 0.149 0.000 2.116 284 D HA -0.265 4.375 4.640 -0.000 0.000 0.193 284 D C 1.866 178.286 176.300 0.201 0.000 0.998 284 D CA 1.634 55.712 54.000 0.129 0.000 0.836 284 D CB -0.788 40.092 40.800 0.133 0.000 0.951 284 D HN 0.666 nan 8.370 nan 0.000 0.449 285 W N 1.600 122.944 121.300 0.074 0.000 2.355 285 W HA -0.173 4.486 4.660 -0.001 0.000 0.309 285 W C 2.251 178.827 176.519 0.096 0.000 1.206 285 W CA 1.527 58.940 57.345 0.113 0.000 1.284 285 W CB -0.070 29.498 29.460 0.180 0.000 1.145 285 W HN -0.028 nan 8.180 nan 0.000 0.502 286 A N 0.310 123.204 122.820 0.124 0.000 1.908 286 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 286 A C 2.019 179.506 177.584 -0.161 0.000 1.181 286 A CA 2.198 54.115 52.037 -0.201 0.000 0.627 286 A CB -1.145 17.919 19.000 0.107 0.000 0.818 286 A HN 0.172 nan 8.150 nan 0.000 0.445 287 V N -0.123 119.738 119.914 -0.089 0.000 2.270 287 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 287 V C 2.628 178.595 176.094 -0.212 0.000 1.043 287 V CA 2.414 64.528 62.300 -0.309 0.000 1.014 287 V CB -0.678 30.909 31.823 -0.392 0.000 0.645 287 V HN 0.709 nan 8.190 nan 0.000 0.447 288 E N -0.048 120.044 120.200 -0.181 0.000 2.077 288 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 288 E C 2.254 178.761 176.600 -0.156 0.000 0.989 288 E CA 1.383 57.694 56.400 -0.148 0.000 0.800 288 E CB -0.244 29.379 29.700 -0.129 0.000 0.746 288 E HN 0.495 nan 8.360 nan 0.000 0.452 289 Q N -0.503 119.062 119.800 -0.391 0.000 2.172 289 Q HA 0.019 4.358 4.340 -0.000 0.000 0.200 289 Q C 2.063 177.944 176.000 -0.199 0.000 0.964 289 Q CA 1.278 56.869 55.803 -0.354 0.000 0.855 289 Q CB -0.238 28.143 28.738 -0.594 0.000 0.918 289 Q HN 0.392 nan 8.270 nan 0.000 0.444 290 A N -0.091 122.583 122.820 -0.244 0.000 1.968 290 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 290 A C 1.878 179.442 177.584 -0.033 0.000 1.169 290 A CA 1.697 53.647 52.037 -0.145 0.000 0.638 290 A CB -0.653 18.405 19.000 0.096 0.000 0.812 290 A HN 0.460 nan 8.150 nan 0.000 0.446 291 H N -1.532 117.532 119.070 -0.009 0.000 2.326 291 H HA -0.132 4.424 4.556 -0.001 0.000 0.301 291 H C 1.714 177.181 175.328 0.232 0.000 1.081 291 H CA 2.151 58.307 56.048 0.181 0.000 1.334 291 H CB -0.387 29.437 29.762 0.104 0.000 1.385 291 H HN 0.460 nan 8.280 nan 0.000 0.504 292 F N 0.844 120.848 119.950 0.090 0.000 2.134 292 F HA -0.139 4.388 4.527 -0.001 0.000 0.299 292 F C 2.509 178.281 175.800 -0.048 0.000 1.097 292 F CA 1.487 59.517 58.000 0.049 0.000 1.264 292 F CB -0.698 38.287 39.000 -0.025 0.000 1.001 292 F HN 0.291 nan 8.300 nan 0.000 0.479 293 A N 0.324 122.912 122.820 -0.387 0.000 1.948 293 A HA -0.203 4.116 4.320 -0.000 0.000 0.220 293 A C 2.101 179.345 177.584 -0.568 0.000 1.177 293 A CA 2.114 53.677 52.037 -0.791 0.000 0.636 293 A CB -1.074 17.154 19.000 -1.286 0.000 0.815 293 A HN 0.587 nan 8.150 nan 0.000 0.449 294 L N -2.634 118.315 121.223 -0.456 0.000 2.189 294 L HA 0.243 4.583 4.340 -0.000 0.000 0.199 294 L C 2.060 178.630 176.870 -0.499 0.000 1.074 294 L CA 1.214 55.755 54.840 -0.499 0.000 0.783 294 L CB -0.220 41.429 42.059 -0.682 0.000 0.955 294 L HN 0.301 nan 8.230 nan 0.000 0.460 295 F N -0.857 118.925 119.950 -0.280 0.000 2.502 295 F HA -0.028 4.499 4.527 -0.000 0.000 0.298 295 F C 1.036 176.773 175.800 -0.104 0.000 1.111 295 F CA 0.074 57.936 58.000 -0.231 0.000 1.445 295 F CB -0.541 38.205 39.000 -0.423 0.000 1.081 295 F HN -0.055 nan 8.300 nan 0.000 0.558 296 F N 2.235 122.080 119.950 -0.176 0.000 2.629 296 F HA -0.083 4.444 4.527 -0.001 0.000 0.377 296 F C 1.210 177.006 175.800 -0.007 0.000 1.101 296 F CA -0.036 57.875 58.000 -0.147 0.000 1.301 296 F CB 0.099 38.782 39.000 -0.528 0.000 1.062 296 F HN 0.122 nan 8.300 nan 0.000 0.583 297 N N 3.458 121.713 118.700 -0.741 0.000 2.740 297 N HA -0.302 4.438 4.740 -0.000 0.000 0.248 297 N C -0.029 175.315 175.510 -0.277 0.000 1.062 297 N CA 1.373 54.021 53.050 -0.669 0.000 0.704 297 N CB -1.025 36.889 38.487 -0.955 0.000 0.968 297 N HN 0.787 nan 8.380 nan 0.000 0.547 298 Q N -2.290 117.445 119.800 -0.108 0.000 2.480 298 Q HA -0.174 4.166 4.340 -0.000 0.000 0.265 298 Q C 1.171 177.189 176.000 0.030 0.000 1.072 298 Q CA 2.223 58.029 55.803 0.005 0.000 1.018 298 Q CB -1.868 26.862 28.738 -0.014 0.000 1.433 298 Q HN 1.221 nan 8.270 nan 0.000 0.513 299 G N -1.049 107.746 108.800 -0.008 0.000 2.162 299 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.260 299 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.260 299 G C 0.051 175.010 174.900 0.099 0.000 0.976 299 G CA 0.389 45.481 45.100 -0.013 0.000 0.655 299 G HN 0.444 nan 8.290 nan 0.000 0.533 300 Q N -0.028 119.817 119.800 0.076 0.000 3.091 300 Q HA 0.503 4.842 4.340 -0.000 0.000 0.301 300 Q C 0.014 176.040 176.000 0.042 0.000 1.337 300 Q CA -0.035 55.842 55.803 0.123 0.000 1.083 300 Q CB 0.777 29.574 28.738 0.099 0.000 1.477 300 Q HN 0.450 nan 8.270 nan 0.000 0.537 301 C N 0.004 119.479 119.300 0.291 0.000 2.535 301 C HA 0.334 4.793 4.460 -0.000 0.000 0.319 301 C C 2.017 177.306 174.990 0.498 0.000 1.171 301 C CA -0.703 58.554 59.018 0.397 0.000 1.394 301 C CB 0.343 28.363 27.740 0.467 0.000 1.990 301 C HN 0.987 nan 8.230 nan 0.000 0.466 302 C N 1.833 121.408 119.300 0.459 0.000 2.403 302 C HA -0.073 4.386 4.460 -0.000 0.000 0.277 302 C C 1.877 177.153 174.990 0.476 0.000 1.248 302 C CA 1.560 60.886 59.018 0.512 0.000 1.762 302 C CB -2.463 25.521 27.740 0.407 0.000 2.014 302 C HN 1.037 nan 8.230 nan 0.000 0.486 303 C N 1.163 120.785 119.300 0.538 0.000 2.563 303 C HA 0.757 5.217 4.460 -0.000 0.000 0.307 303 C C 1.251 176.559 174.990 0.530 0.000 1.371 303 C CA -0.905 58.443 59.018 0.550 0.000 1.772 303 C CB -2.503 25.696 27.740 0.765 0.000 2.283 303 C HN 0.760 nan 8.230 nan 0.000 0.570 304 A N 1.059 124.094 122.820 0.359 0.000 2.565 304 A HA 0.447 4.767 4.320 -0.000 0.000 0.237 304 A C 1.143 178.812 177.584 0.142 0.000 1.053 304 A CA 0.844 53.003 52.037 0.203 0.000 0.755 304 A CB -0.082 18.951 19.000 0.054 0.000 0.980 304 A HN 1.165 nan 8.150 nan 0.000 0.506 305 G N 1.751 110.527 108.800 -0.039 0.000 3.008 305 G HA2 0.326 4.286 3.960 -0.000 0.000 0.272 305 G HA3 0.326 4.286 3.960 -0.000 0.000 0.272 305 G C 0.922 175.743 174.900 -0.132 0.000 0.764 305 G CA 0.391 45.440 45.100 -0.084 0.000 2.029 305 G HN 1.213 nan 8.290 nan 0.000 0.587 306 S N 0.761 116.409 115.700 -0.086 0.000 2.603 306 S HA 0.171 4.641 4.470 -0.000 0.000 0.220 306 S C 0.971 175.493 174.600 -0.130 0.000 0.967 306 S CA -0.254 57.857 58.200 -0.147 0.000 0.920 306 S CB 0.368 63.459 63.200 -0.182 0.000 0.773 306 S HN 0.398 nan 8.310 nan 0.000 0.529 307 R N 1.697 122.145 120.500 -0.087 0.000 2.487 307 R HA 0.284 4.623 4.340 -0.000 0.000 0.288 307 R C -1.246 174.973 176.300 -0.136 0.000 1.394 307 R CA -0.086 55.911 56.100 -0.171 0.000 1.155 307 R CB 1.345 31.585 30.300 -0.100 0.000 1.156 307 R HN 0.158 nan 8.270 nan 0.000 0.553 308 T N 3.877 118.335 114.554 -0.160 0.000 2.794 308 T HA 0.280 4.630 4.350 -0.000 0.000 0.304 308 T C -0.198 174.449 174.700 -0.090 0.000 0.973 308 T CA -0.043 62.022 62.100 -0.058 0.000 0.972 308 T CB -0.042 68.818 68.868 -0.013 0.000 0.952 308 T HN 0.172 nan 8.240 nan 0.000 0.509 309 F N 2.677 122.650 119.950 0.038 0.000 2.424 309 F HA 0.445 4.972 4.527 -0.000 0.000 0.356 309 F C 0.312 176.258 175.800 0.243 0.000 1.110 309 F CA -0.729 57.353 58.000 0.137 0.000 1.161 309 F CB 0.949 39.931 39.000 -0.029 0.000 1.115 309 F HN 0.191 nan 8.300 nan 0.000 0.507 310 V N 3.873 124.063 119.914 0.460 0.000 2.487 310 V HA 0.256 4.376 4.120 -0.000 0.000 0.298 310 V C -0.120 175.964 176.094 -0.017 0.000 1.028 310 V CA -1.157 61.245 62.300 0.169 0.000 0.860 310 V CB 1.501 33.222 31.823 -0.170 0.000 0.991 310 V HN 0.652 nan 8.190 nan 0.000 0.427 311 Q N 2.503 122.041 119.800 -0.436 0.000 2.330 311 Q HA 0.012 4.352 4.340 -0.000 0.000 0.279 311 Q C 1.467 177.256 176.000 -0.352 0.000 1.024 311 Q CA 0.336 55.559 55.803 -0.968 0.000 0.900 311 Q CB 0.800 29.144 28.738 -0.657 0.000 1.221 311 Q HN 0.942 nan 8.270 nan 0.000 0.396 312 E N 2.542 122.548 120.200 -0.323 0.000 2.147 312 E HA -0.316 4.034 4.350 -0.000 0.000 0.199 312 E C 0.266 176.854 176.600 -0.020 0.000 1.005 312 E CA 1.759 58.092 56.400 -0.112 0.000 0.810 312 E CB -0.002 29.620 29.700 -0.130 0.000 0.736 312 E HN 0.637 nan 8.360 nan 0.000 0.460 313 D N 0.976 121.347 120.400 -0.050 0.000 2.263 313 D HA -0.092 4.547 4.640 -0.000 0.000 0.208 313 D C 1.967 178.292 176.300 0.041 0.000 0.971 313 D CA 1.379 55.378 54.000 -0.001 0.000 0.867 313 D CB -0.041 40.751 40.800 -0.013 0.000 0.929 313 D HN 0.646 nan 8.370 nan 0.000 0.492 314 I N -3.676 116.925 120.570 0.052 0.000 4.154 314 I HA 0.168 4.337 4.170 -0.000 0.000 0.334 314 I C 1.845 178.048 176.117 0.143 0.000 1.371 314 I CA -0.540 60.816 61.300 0.094 0.000 1.110 314 I CB -0.119 37.938 38.000 0.094 0.000 1.085 314 I HN -0.247 nan 8.210 nan 0.000 0.398 315 Y N 2.996 123.311 120.300 0.026 0.000 2.040 315 Y HA -0.340 4.209 4.550 -0.000 0.000 0.275 315 Y C 2.106 178.077 175.900 0.118 0.000 1.171 315 Y CA 2.374 60.510 58.100 0.060 0.000 1.123 315 Y CB -0.202 38.264 38.460 0.011 0.000 0.963 315 Y HN 0.203 nan 8.280 nan 0.000 0.493 316 D N -0.006 120.542 120.400 0.246 0.000 2.104 316 D HA -0.225 4.414 4.640 -0.000 0.000 0.194 316 D C 2.137 178.459 176.300 0.038 0.000 0.994 316 D CA 1.813 55.898 54.000 0.142 0.000 0.830 316 D CB -0.487 40.406 40.800 0.154 0.000 0.959 316 D HN 0.627 nan 8.370 nan 0.000 0.452 317 E N -0.581 119.655 120.200 0.060 0.000 2.077 317 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 317 E C 2.111 178.719 176.600 0.012 0.000 0.989 317 E CA 0.466 56.887 56.400 0.035 0.000 0.800 317 E CB -0.216 29.518 29.700 0.056 0.000 0.746 317 E HN 0.208 nan 8.360 nan 0.000 0.452 318 F N 0.792 120.685 119.950 -0.095 0.000 2.095 318 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 318 F C 2.118 177.817 175.800 -0.167 0.000 1.104 318 F CA 1.370 59.299 58.000 -0.118 0.000 1.232 318 F CB -0.248 38.678 39.000 -0.123 0.000 0.987 318 F HN -0.114 nan 8.300 nan 0.000 0.475 319 V N 0.432 120.303 119.914 -0.073 0.000 2.343 319 V HA -0.331 3.789 4.120 -0.000 0.000 0.247 319 V C 2.368 178.379 176.094 -0.138 0.000 1.051 319 V CA 2.316 64.522 62.300 -0.158 0.000 1.036 319 V CB -0.730 30.915 31.823 -0.298 0.000 0.654 319 V HN 0.458 nan 8.190 nan 0.000 0.451 320 E N 0.084 120.219 120.200 -0.108 0.000 2.058 320 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 320 E C 2.440 178.964 176.600 -0.126 0.000 0.997 320 E CA 1.526 57.875 56.400 -0.086 0.000 0.801 320 E CB -0.064 29.606 29.700 -0.051 0.000 0.746 320 E HN 0.530 nan 8.360 nan 0.000 0.450 321 R N -0.111 120.279 120.500 -0.184 0.000 2.092 321 R HA -0.022 4.318 4.340 -0.000 0.000 0.231 321 R C 2.650 178.789 176.300 -0.269 0.000 1.119 321 R CA 1.333 57.298 56.100 -0.224 0.000 0.970 321 R CB -0.114 30.027 30.300 -0.265 0.000 0.864 321 R HN 0.061 nan 8.270 nan 0.000 0.440 322 S N 0.277 115.769 115.700 -0.347 0.000 2.368 322 S HA -0.090 4.380 4.470 -0.000 0.000 0.224 322 S C 2.069 176.602 174.600 -0.111 0.000 1.029 322 S CA 1.107 59.152 58.200 -0.259 0.000 0.988 322 S CB -0.068 62.976 63.200 -0.260 0.000 0.838 322 S HN 0.065 nan 8.310 nan 0.000 0.462 323 V N 1.944 121.797 119.914 -0.101 0.000 2.358 323 V HA -0.175 3.944 4.120 -0.000 0.000 0.246 323 V C 2.614 178.655 176.094 -0.088 0.000 1.047 323 V CA 1.666 63.926 62.300 -0.066 0.000 1.035 323 V CB -1.142 30.650 31.823 -0.053 0.000 0.658 323 V HN 0.532 nan 8.190 nan 0.000 0.452 324 A N 0.274 123.030 122.820 -0.108 0.000 1.933 324 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 324 A C 2.300 179.797 177.584 -0.146 0.000 1.175 324 A CA 2.090 54.060 52.037 -0.111 0.000 0.628 324 A CB -0.500 18.436 19.000 -0.106 0.000 0.814 324 A HN 0.453 nan 8.150 nan 0.000 0.444 325 R N 0.187 120.572 120.500 -0.191 0.000 2.092 325 R HA 0.039 4.379 4.340 -0.000 0.000 0.231 325 R C 2.096 178.205 176.300 -0.317 0.000 1.119 325 R CA 1.817 57.736 56.100 -0.303 0.000 0.970 325 R CB -0.848 29.209 30.300 -0.405 0.000 0.864 325 R HN 0.378 nan 8.270 nan 0.000 0.440 326 A N 0.642 123.357 122.820 -0.176 0.000 1.930 326 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 326 A C 1.938 179.418 177.584 -0.174 0.000 1.175 326 A CA 1.519 53.444 52.037 -0.185 0.000 0.627 326 A CB -0.367 18.561 19.000 -0.120 0.000 0.815 326 A HN 0.355 nan 8.150 nan 0.000 0.443 327 K N 0.339 120.662 120.400 -0.128 0.000 2.211 327 K HA -0.095 4.224 4.320 -0.000 0.000 0.203 327 K C 2.114 178.654 176.600 -0.101 0.000 1.050 327 K CA 1.452 57.679 56.287 -0.100 0.000 0.945 327 K CB -0.122 32.331 32.500 -0.080 0.000 0.732 327 K HN 0.661 nan 8.250 nan 0.000 0.451 328 S N 0.541 116.166 115.700 -0.124 0.000 2.528 328 S HA -0.023 4.447 4.470 -0.000 0.000 0.219 328 S C 0.878 175.415 174.600 -0.105 0.000 0.985 328 S CA -0.285 57.850 58.200 -0.109 0.000 0.914 328 S CB -0.052 63.075 63.200 -0.122 0.000 0.776 328 S HN 0.136 nan 8.310 nan 0.000 0.526 329 R N 2.033 122.458 120.500 -0.126 0.000 2.446 329 R HA 0.187 4.527 4.340 -0.000 0.000 0.314 329 R C -0.968 175.304 176.300 -0.048 0.000 1.003 329 R CA -0.098 55.951 56.100 -0.085 0.000 1.018 329 R CB 0.082 30.312 30.300 -0.116 0.000 0.945 329 R HN 0.181 nan 8.270 nan 0.000 0.419 330 V N 6.412 126.316 119.914 -0.018 0.000 2.470 330 V HA 0.079 4.199 4.120 -0.000 0.000 0.276 330 V C 0.141 176.246 176.094 0.019 0.000 1.040 330 V CA -0.172 62.124 62.300 -0.007 0.000 1.008 330 V CB 1.198 33.021 31.823 0.000 0.000 0.990 330 V HN 0.467 nan 8.190 nan 0.000 0.477 331 V N 5.043 124.962 119.914 0.008 0.000 2.398 331 V HA 0.990 5.109 4.120 -0.000 0.000 0.286 331 V C 0.623 176.693 176.094 -0.040 0.000 1.026 331 V CA 0.503 62.831 62.300 0.047 0.000 0.868 331 V CB 1.009 32.872 31.823 0.067 0.000 0.982 331 V HN 1.135 nan 8.190 nan 0.000 0.443 332 G N 3.419 112.224 108.800 0.009 0.000 2.335 332 G HA2 0.149 4.108 3.960 -0.000 0.000 0.291 332 G HA3 0.149 4.108 3.960 -0.000 0.000 0.291 332 G C -0.942 174.000 174.900 0.069 0.000 1.261 332 G CA -0.875 44.138 45.100 -0.146 0.000 0.871 332 G HN 0.592 nan 8.290 nan 0.000 0.491 333 N N 1.926 120.639 118.700 0.022 0.000 2.315 333 N HA 0.082 4.821 4.740 -0.000 0.000 0.270 333 N C -0.643 174.943 175.510 0.127 0.000 1.329 333 N CA -0.821 52.307 53.050 0.130 0.000 0.860 333 N CB 1.326 39.871 38.487 0.096 0.000 1.095 333 N HN 0.156 nan 8.380 nan 0.000 0.487 334 P HA -0.119 nan 4.420 nan 0.000 0.225 334 P C 0.866 178.107 177.300 -0.099 0.000 1.148 334 P CA 1.152 64.223 63.100 -0.049 0.000 0.779 334 P CB -0.052 31.540 31.700 -0.180 0.000 0.780 335 F N -0.146 119.849 119.950 0.075 0.000 2.710 335 F HA 0.065 4.592 4.527 0.000 0.000 0.298 335 F C 1.322 177.146 175.800 0.039 0.000 1.137 335 F CA 0.100 58.123 58.000 0.038 0.000 1.444 335 F CB -0.208 38.762 39.000 -0.050 0.000 1.111 335 F HN -0.117 nan 8.300 nan 0.000 0.580 336 D N 0.249 120.758 120.400 0.183 0.000 2.308 336 D HA -0.012 4.628 4.640 -0.000 0.000 0.251 336 D C 1.302 177.670 176.300 0.113 0.000 1.127 336 D CA 0.294 54.365 54.000 0.119 0.000 0.876 336 D CB 1.480 42.325 40.800 0.074 0.000 1.176 336 D HN 0.143 nan 8.370 nan 0.000 0.446 337 S N 3.720 119.483 115.700 0.105 0.000 2.419 337 S HA -0.179 4.291 4.470 -0.000 0.000 0.235 337 S C 1.386 176.031 174.600 0.074 0.000 1.019 337 S CA 0.875 59.135 58.200 0.100 0.000 0.982 337 S CB -0.059 63.191 63.200 0.085 0.000 0.789 337 S HN 0.524 nan 8.310 nan 0.000 0.490 338 K N 0.961 121.395 120.400 0.057 0.000 2.366 338 K HA 0.091 4.411 4.320 -0.000 0.000 0.198 338 K C 0.143 176.770 176.600 0.046 0.000 1.044 338 K CA 0.506 56.818 56.287 0.041 0.000 0.973 338 K CB -0.210 32.304 32.500 0.024 0.000 0.767 338 K HN 0.306 nan 8.250 nan 0.000 0.475 339 T N 1.851 116.439 114.554 0.058 0.000 2.853 339 T HA 0.031 4.380 4.350 -0.000 0.000 0.298 339 T C 0.800 175.546 174.700 0.076 0.000 0.978 339 T CA 0.283 62.420 62.100 0.063 0.000 1.152 339 T CB 1.088 70.000 68.868 0.074 0.000 0.914 339 T HN 0.186 nan 8.240 nan 0.000 0.539 340 E N 1.567 121.814 120.200 0.078 0.000 2.340 340 E HA 0.058 4.408 4.350 -0.000 0.000 0.198 340 E C 0.749 177.414 176.600 0.108 0.000 0.961 340 E CA 0.141 56.603 56.400 0.103 0.000 0.905 340 E CB 0.602 30.363 29.700 0.101 0.000 0.884 340 E HN 0.554 nan 8.360 nan 0.000 0.491 341 Q N 0.382 120.243 119.800 0.102 0.000 2.292 341 Q HA 0.420 4.760 4.340 -0.000 0.000 0.270 341 Q C -0.516 175.579 176.000 0.158 0.000 1.024 341 Q CA -0.611 55.259 55.803 0.111 0.000 0.768 341 Q CB 1.707 30.514 28.738 0.115 0.000 1.250 341 Q HN 0.132 nan 8.270 nan 0.000 0.447 342 G N 3.277 112.133 108.800 0.094 0.000 2.509 342 G HA2 0.556 4.516 3.960 -0.000 0.000 0.269 342 G HA3 0.556 4.516 3.960 -0.000 0.000 0.269 342 G C -2.497 172.347 174.900 -0.093 0.000 1.416 342 G CA -0.967 44.185 45.100 0.086 0.000 1.052 342 G HN 0.564 nan 8.290 nan 0.000 0.542 343 P HA 0.206 nan 4.420 nan 0.000 0.278 343 P C -0.767 176.358 177.300 -0.292 0.000 1.266 343 P CA -0.453 62.166 63.100 -0.800 0.000 0.807 343 P CB 0.948 31.897 31.700 -1.253 0.000 1.094 344 Q N -0.123 119.594 119.800 -0.139 0.000 2.443 344 Q HA 0.061 4.400 4.340 -0.000 0.000 0.232 344 Q C 1.350 177.249 176.000 -0.167 0.000 1.026 344 Q CA -0.347 55.415 55.803 -0.069 0.000 0.924 344 Q CB 0.147 28.917 28.738 0.054 0.000 1.256 344 Q HN 0.183 nan 8.270 nan 0.000 0.519 345 V N 0.511 120.242 119.914 -0.304 0.000 2.407 345 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 345 V C 0.331 176.152 176.094 -0.456 0.000 1.055 345 V CA 2.625 64.656 62.300 -0.448 0.000 1.049 345 V CB -0.097 31.194 31.823 -0.887 0.000 0.662 345 V HN 0.978 nan 8.190 nan 0.000 0.455 346 D N -3.686 116.367 120.400 -0.578 0.000 2.692 346 D HA 0.099 4.738 4.640 -0.000 0.000 0.303 346 D C 0.726 176.395 176.300 -1.051 0.000 1.278 346 D CA -0.222 53.319 54.000 -0.766 0.000 0.852 346 D CB 0.425 40.891 40.800 -0.557 0.000 1.375 346 D HN -0.090 nan 8.370 nan 0.000 0.453 347 E N -0.428 119.067 120.200 -1.175 0.000 2.110 347 E HA -0.147 4.202 4.350 -0.000 0.000 0.193 347 E C 1.232 177.686 176.600 -0.244 0.000 0.988 347 E CA 1.663 57.605 56.400 -0.764 0.000 0.804 347 E CB -0.120 29.338 29.700 -0.402 0.000 0.745 347 E HN 0.558 nan 8.360 nan 0.000 0.458 348 T N 1.442 115.857 114.554 -0.232 0.000 2.684 348 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 348 T C 1.820 176.481 174.700 -0.065 0.000 1.036 348 T CA 1.247 63.281 62.100 -0.111 0.000 1.148 348 T CB -0.100 68.704 68.868 -0.108 0.000 0.863 348 T HN 0.152 nan 8.240 nan 0.000 0.436 349 Q N -0.064 119.663 119.800 -0.122 0.000 2.083 349 Q HA 0.033 4.373 4.340 -0.000 0.000 0.198 349 Q C 2.080 178.111 176.000 0.051 0.000 0.969 349 Q CA 0.958 56.743 55.803 -0.030 0.000 0.838 349 Q CB -0.687 27.971 28.738 -0.134 0.000 0.900 349 Q HN 0.540 nan 8.270 nan 0.000 0.436 350 F N 2.170 122.032 119.950 -0.146 0.000 2.065 350 F HA -0.263 4.264 4.527 -0.000 0.000 0.298 350 F C 2.004 177.805 175.800 0.003 0.000 1.112 350 F CA 1.768 59.737 58.000 -0.053 0.000 1.212 350 F CB -0.021 38.934 39.000 -0.076 0.000 0.975 350 F HN -0.020 nan 8.300 nan 0.000 0.476 351 K N -0.119 120.288 120.400 0.012 0.000 2.097 351 K HA -0.178 4.142 4.320 -0.000 0.000 0.205 351 K C 2.184 178.737 176.600 -0.078 0.000 1.050 351 K CA 1.387 57.628 56.287 -0.076 0.000 0.938 351 K CB -0.252 32.255 32.500 0.011 0.000 0.718 351 K HN 0.217 nan 8.250 nan 0.000 0.442 352 K N 1.179 121.568 120.400 -0.020 0.000 2.057 352 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 352 K C 1.980 178.626 176.600 0.076 0.000 1.049 352 K CA 1.128 57.413 56.287 -0.003 0.000 0.931 352 K CB -0.002 32.559 32.500 0.102 0.000 0.714 352 K HN 0.060 nan 8.250 nan 0.000 0.440 353 I N 0.772 121.411 120.570 0.114 0.000 2.252 353 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 353 I C 2.045 178.206 176.117 0.073 0.000 1.102 353 I CA 0.977 62.377 61.300 0.166 0.000 1.385 353 I CB -0.177 37.880 38.000 0.095 0.000 1.064 353 I HN 0.158 nan 8.210 nan 0.000 0.414 354 L N 0.461 121.632 121.223 -0.088 0.000 2.042 354 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 354 L C 2.680 179.526 176.870 -0.040 0.000 1.076 354 L CA 1.640 56.414 54.840 -0.110 0.000 0.749 354 L CB -1.156 40.763 42.059 -0.233 0.000 0.893 354 L HN 0.335 nan 8.230 nan 0.000 0.432 355 G N -1.246 107.509 108.800 -0.075 0.000 2.418 355 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 355 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 355 G C 1.393 176.239 174.900 -0.089 0.000 1.158 355 G CA 0.543 45.574 45.100 -0.116 0.000 0.771 355 G HN 0.297 nan 8.290 nan 0.000 0.545 356 Y N 0.397 120.699 120.300 0.003 0.000 2.181 356 Y HA -0.025 4.525 4.550 -0.001 0.000 0.288 356 Y C 2.796 178.725 175.900 0.047 0.000 1.146 356 Y CA 0.707 58.813 58.100 0.010 0.000 1.164 356 Y CB -0.062 38.408 38.460 0.017 0.000 0.982 356 Y HN 0.106 nan 8.280 nan 0.000 0.515 357 I N 0.101 120.834 120.570 0.272 0.000 2.163 357 I HA -0.374 3.795 4.170 -0.000 0.000 0.243 357 I C 2.456 178.733 176.117 0.267 0.000 1.085 357 I CA 1.557 63.062 61.300 0.341 0.000 1.347 357 I CB -0.469 37.660 38.000 0.215 0.000 1.044 357 I HN 0.384 nan 8.210 nan 0.000 0.408 358 N N 0.315 119.093 118.700 0.130 0.000 2.166 358 N HA -0.169 4.571 4.740 -0.000 0.000 0.186 358 N C 1.713 177.252 175.510 0.048 0.000 1.019 358 N CA 1.904 55.002 53.050 0.080 0.000 0.856 358 N CB 0.092 38.596 38.487 0.028 0.000 0.993 358 N HN 0.287 nan 8.380 nan 0.000 0.426 359 T N -0.271 114.298 114.554 0.025 0.000 2.720 359 T HA -0.089 4.260 4.350 -0.000 0.000 0.268 359 T C 1.775 176.433 174.700 -0.070 0.000 1.037 359 T CA 1.395 63.488 62.100 -0.011 0.000 1.144 359 T CB -0.722 68.152 68.868 0.010 0.000 0.864 359 T HN 0.440 nan 8.240 nan 0.000 0.444 360 G N 1.535 110.245 108.800 -0.150 0.000 2.418 360 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 360 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 360 G C 1.613 176.337 174.900 -0.294 0.000 1.158 360 G CA 0.712 45.504 45.100 -0.513 0.000 0.771 360 G HN 0.438 nan 8.290 nan 0.000 0.545 361 K N 0.021 120.425 120.400 0.008 0.000 2.057 361 K HA -0.048 4.272 4.320 -0.000 0.000 0.207 361 K C 2.721 179.344 176.600 0.038 0.000 1.049 361 K CA 1.161 57.520 56.287 0.120 0.000 0.931 361 K CB -0.112 32.492 32.500 0.173 0.000 0.714 361 K HN 0.181 nan 8.250 nan 0.000 0.440 362 Q N 0.899 120.705 119.800 0.011 0.000 2.170 362 Q HA -0.166 4.174 4.340 -0.000 0.000 0.203 362 Q C 1.568 177.558 176.000 -0.017 0.000 0.976 362 Q CA 1.321 57.124 55.803 -0.000 0.000 0.858 362 Q CB -0.010 28.725 28.738 -0.006 0.000 0.907 362 Q HN 0.483 nan 8.270 nan 0.000 0.433 363 E N -0.666 119.507 120.200 -0.045 0.000 2.482 363 E HA 0.017 4.367 4.350 -0.000 0.000 0.196 363 E C 0.793 177.366 176.600 -0.045 0.000 1.047 363 E CA 0.423 56.790 56.400 -0.055 0.000 0.869 363 E CB 0.191 29.835 29.700 -0.093 0.000 0.836 363 E HN 0.531 nan 8.360 nan 0.000 0.520 364 G N 0.938 109.721 108.800 -0.028 0.000 2.159 364 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.227 364 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.227 364 G C 0.326 175.229 174.900 0.004 0.000 0.986 364 G CA -0.070 45.027 45.100 -0.004 0.000 0.651 364 G HN 0.444 nan 8.290 nan 0.000 0.523 365 A N 0.142 122.938 122.820 -0.039 0.000 2.407 365 A HA 0.601 4.921 4.320 -0.000 0.000 0.248 365 A C 0.632 178.329 177.584 0.189 0.000 1.082 365 A CA 0.612 52.647 52.037 -0.003 0.000 0.785 365 A CB 0.407 19.234 19.000 -0.289 0.000 1.020 365 A HN 0.536 nan 8.150 nan 0.000 0.489 366 K N 2.241 122.781 120.400 0.232 0.000 2.292 366 K HA 0.284 4.604 4.320 -0.000 0.000 0.290 366 K C -0.771 175.999 176.600 0.283 0.000 1.083 366 K CA -0.450 55.970 56.287 0.223 0.000 0.918 366 K CB 0.144 32.738 32.500 0.157 0.000 1.089 366 K HN 0.575 nan 8.250 nan 0.000 0.473 367 L N 6.598 127.954 121.223 0.222 0.000 2.385 367 L HA 0.100 4.440 4.340 -0.000 0.000 0.281 367 L C 0.248 177.098 176.870 -0.033 0.000 1.106 367 L CA 0.496 55.331 54.840 -0.008 0.000 0.856 367 L CB 0.416 42.464 42.059 -0.018 0.000 1.186 367 L HN 0.791 nan 8.230 nan 0.000 0.453 368 L N 4.745 125.924 121.223 -0.073 0.000 2.354 368 L HA 0.208 4.547 4.340 -0.000 0.000 0.212 368 L C 0.510 177.346 176.870 -0.057 0.000 1.091 368 L CA 0.229 55.048 54.840 -0.035 0.000 0.828 368 L CB -0.128 41.926 42.059 -0.007 0.000 0.973 368 L HN 0.826 nan 8.230 nan 0.000 0.461 369 C N -3.272 115.968 119.300 -0.100 0.000 3.292 369 C HA 0.733 5.192 4.460 -0.000 0.000 0.338 369 C C 0.772 175.699 174.990 -0.106 0.000 1.323 369 C CA -0.611 58.359 59.018 -0.081 0.000 1.232 369 C CB 0.844 28.549 27.740 -0.060 0.000 1.517 369 C HN 0.615 nan 8.230 nan 0.000 0.470 370 G N 0.952 109.710 108.800 -0.070 0.000 2.574 370 G HA2 0.313 4.272 3.960 -0.000 0.000 0.286 370 G HA3 0.313 4.272 3.960 -0.000 0.000 0.286 370 G C 1.418 176.274 174.900 -0.073 0.000 1.212 370 G CA 2.602 47.668 45.100 -0.056 0.000 0.979 370 G HN 3.329 nan 8.290 nan 0.000 0.557 371 G N -2.132 106.623 108.800 -0.074 0.000 2.194 371 G HA2 0.388 4.348 3.960 -0.000 0.000 0.236 371 G HA3 0.388 4.348 3.960 -0.000 0.000 0.236 371 G C 1.448 176.340 174.900 -0.014 0.000 0.987 371 G CA 1.044 46.103 45.100 -0.069 0.000 0.635 371 G HN 2.511 nan 8.290 nan 0.000 0.520 372 G N -0.963 107.837 108.800 -0.000 0.000 3.086 372 G HA2 0.679 4.638 3.960 -0.000 0.000 0.282 372 G HA3 0.679 4.638 3.960 -0.000 0.000 0.282 372 G C -0.353 174.574 174.900 0.045 0.000 1.343 372 G CA -0.831 44.277 45.100 0.013 0.000 0.895 372 G HN 0.598 nan 8.290 nan 0.000 0.557 373 I N 1.388 122.002 120.570 0.073 0.000 2.496 373 I HA 0.264 4.434 4.170 -0.000 0.000 0.285 373 I C 1.401 177.610 176.117 0.153 0.000 1.080 373 I CA -0.187 61.217 61.300 0.172 0.000 1.404 373 I CB 1.775 39.913 38.000 0.230 0.000 1.403 373 I HN 0.539 nan 8.210 nan 0.000 0.539 374 A N 5.287 128.227 122.820 0.200 0.000 2.195 374 A HA 0.633 4.953 4.320 -0.000 0.000 0.210 374 A C 0.792 178.397 177.584 0.034 0.000 1.165 374 A CA 0.657 52.763 52.037 0.114 0.000 0.806 374 A CB 0.068 19.151 19.000 0.138 0.000 0.847 374 A HN 0.816 nan 8.150 nan 0.000 0.482 375 A N -0.531 122.337 122.820 0.081 0.000 2.608 375 A HA 0.494 4.814 4.320 -0.000 0.000 0.292 375 A C 0.127 177.738 177.584 0.044 0.000 1.066 375 A CA 0.204 52.227 52.037 -0.024 0.000 0.676 375 A CB 0.293 19.142 19.000 -0.252 0.000 1.277 375 A HN 0.167 nan 8.150 nan 0.000 0.413 376 D N 0.221 120.619 120.400 -0.003 0.000 2.289 376 D HA -0.017 4.623 4.640 -0.000 0.000 0.207 376 D C 0.122 176.409 176.300 -0.023 0.000 0.966 376 D CA 0.561 54.566 54.000 0.008 0.000 0.868 376 D CB 0.341 41.139 40.800 -0.004 0.000 0.943 376 D HN 0.356 nan 8.370 nan 0.000 0.514 377 R N 0.387 120.866 120.500 -0.036 0.000 2.589 377 R HA 0.530 4.869 4.340 -0.000 0.000 0.293 377 R C 0.636 176.921 176.300 -0.024 0.000 0.963 377 R CA 0.228 56.287 56.100 -0.069 0.000 0.905 377 R CB 1.804 32.070 30.300 -0.056 0.000 1.144 377 R HN 0.278 nan 8.270 nan 0.000 0.459 378 G N 1.425 110.049 108.800 -0.292 0.000 2.698 378 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.225 378 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.225 378 G C -0.993 173.373 174.900 -0.890 0.000 1.345 378 G CA -0.600 44.167 45.100 -0.556 0.000 0.871 378 G HN 0.614 nan 8.290 nan 0.000 0.540 379 Y N -0.239 119.736 120.300 -0.541 0.000 2.602 379 Y HA 0.558 5.108 4.550 -0.000 0.000 0.373 379 Y C 0.445 176.190 175.900 -0.258 0.000 0.960 379 Y CA -0.764 56.907 58.100 -0.716 0.000 1.281 379 Y CB 0.187 38.288 38.460 -0.599 0.000 1.308 379 Y HN 0.352 nan 8.280 nan 0.000 0.595 380 F N 1.771 121.774 119.950 0.088 0.000 2.410 380 F HA 0.473 5.000 4.527 -0.001 0.000 0.348 380 F C 0.246 176.232 175.800 0.309 0.000 1.106 380 F CA -0.698 57.407 58.000 0.174 0.000 1.163 380 F CB 0.687 39.725 39.000 0.063 0.000 1.129 380 F HN 0.060 nan 8.300 nan 0.000 0.516 381 I N 2.725 123.535 120.570 0.400 0.000 2.509 381 I HA 0.237 4.407 4.170 -0.000 0.000 0.293 381 I C -0.453 175.781 176.117 0.195 0.000 1.020 381 I CA -1.012 60.448 61.300 0.267 0.000 1.088 381 I CB 1.926 40.039 38.000 0.189 0.000 1.267 381 I HN 0.513 nan 8.210 nan 0.000 0.430 382 Q N 5.951 125.830 119.800 0.132 0.000 2.337 382 Q HA 0.170 4.509 4.340 -0.000 0.000 0.270 382 Q C -2.287 173.762 176.000 0.082 0.000 1.002 382 Q CA -1.564 54.288 55.803 0.081 0.000 0.888 382 Q CB 0.168 28.929 28.738 0.039 0.000 1.222 382 Q HN 0.239 nan 8.270 nan 0.000 0.400 383 P HA -0.063 nan 4.420 nan 0.000 0.260 383 P C -1.082 176.277 177.300 0.098 0.000 1.185 383 P CA 0.652 63.787 63.100 0.059 0.000 0.763 383 P CB 0.528 32.069 31.700 -0.265 0.000 0.776 384 T N 2.917 117.600 114.554 0.214 0.000 2.856 384 T HA 0.514 4.864 4.350 -0.000 0.000 0.283 384 T C -0.410 174.311 174.700 0.036 0.000 1.008 384 T CA -0.453 61.661 62.100 0.022 0.000 0.997 384 T CB 1.138 69.955 68.868 -0.085 0.000 0.992 384 T HN -0.060 nan 8.240 nan 0.000 0.454 385 V N 3.298 123.141 119.914 -0.119 0.000 2.577 385 V HA 0.521 4.641 4.120 -0.000 0.000 0.303 385 V C -1.136 174.836 176.094 -0.203 0.000 1.042 385 V CA -0.917 61.346 62.300 -0.061 0.000 0.872 385 V CB 1.402 33.249 31.823 0.039 0.000 0.998 385 V HN 0.842 nan 8.190 nan 0.000 0.423 386 F N 2.330 122.304 119.950 0.040 0.000 2.436 386 F HA 0.768 5.295 4.527 -0.000 0.000 0.340 386 F C 0.938 176.768 175.800 0.050 0.000 1.113 386 F CA -0.302 57.719 58.000 0.035 0.000 1.022 386 F CB 2.081 41.089 39.000 0.013 0.000 1.128 386 F HN 0.610 nan 8.300 nan 0.000 0.466 387 G N 0.710 109.673 108.800 0.273 0.000 2.509 387 G HA2 0.365 4.324 3.960 -0.000 0.000 0.328 387 G HA3 0.365 4.324 3.960 -0.000 0.000 0.328 387 G C -0.609 174.431 174.900 0.233 0.000 1.194 387 G CA -0.691 44.558 45.100 0.249 0.000 0.967 387 G HN 0.708 nan 8.290 nan 0.000 0.488 388 D N -1.141 119.417 120.400 0.264 0.000 2.751 388 D HA -0.165 4.475 4.640 -0.000 0.000 0.233 388 D C 0.666 177.003 176.300 0.061 0.000 1.149 388 D CA 0.653 54.723 54.000 0.117 0.000 0.682 388 D CB -1.407 39.439 40.800 0.076 0.000 1.068 388 D HN 0.208 nan 8.370 nan 0.000 0.429 389 V N 0.579 120.528 119.914 0.058 0.000 2.715 389 V HA 0.045 4.165 4.120 -0.000 0.000 0.299 389 V C 0.863 176.938 176.094 -0.030 0.000 1.054 389 V CA 0.172 62.465 62.300 -0.012 0.000 1.077 389 V CB 1.633 33.431 31.823 -0.042 0.000 0.972 389 V HN 0.065 nan 8.190 nan 0.000 0.484 390 Q N 1.820 121.597 119.800 -0.038 0.000 2.348 390 Q HA 0.343 4.682 4.340 -0.000 0.000 0.271 390 Q C 0.314 176.303 176.000 -0.019 0.000 1.067 390 Q CA -0.778 55.015 55.803 -0.016 0.000 0.839 390 Q CB 1.598 30.331 28.738 -0.010 0.000 1.354 390 Q HN 0.665 nan 8.270 nan 0.000 0.447 391 D N 1.165 121.576 120.400 0.018 0.000 2.221 391 D HA -0.120 4.519 4.640 -0.000 0.000 0.204 391 D C 1.510 177.815 176.300 0.008 0.000 0.982 391 D CA 1.611 55.630 54.000 0.031 0.000 0.857 391 D CB -0.030 40.815 40.800 0.076 0.000 0.934 391 D HN 0.823 nan 8.370 nan 0.000 0.475 392 G N -0.246 108.555 108.800 0.001 0.000 2.572 392 G HA2 -0.035 3.924 3.960 -0.000 0.000 0.216 392 G HA3 -0.035 3.924 3.960 -0.000 0.000 0.216 392 G C 0.748 175.637 174.900 -0.019 0.000 1.133 392 G CA -0.165 44.932 45.100 -0.005 0.000 0.791 392 G HN 0.176 nan 8.290 nan 0.000 0.538 393 M N 0.704 120.283 119.600 -0.036 0.000 2.248 393 M HA 0.127 4.607 4.480 -0.000 0.000 0.337 393 M C 1.753 178.021 176.300 -0.053 0.000 1.121 393 M CA -0.015 55.251 55.300 -0.058 0.000 1.155 393 M CB 0.877 33.419 32.600 -0.096 0.000 1.514 393 M HN -0.099 nan 8.290 nan 0.000 0.452 394 T N 2.257 116.786 114.554 -0.042 0.000 2.833 394 T HA -0.085 4.264 4.350 -0.000 0.000 0.269 394 T C 1.504 176.186 174.700 -0.031 0.000 1.054 394 T CA 1.457 63.553 62.100 -0.008 0.000 1.135 394 T CB -0.447 68.441 68.868 0.033 0.000 0.869 394 T HN 0.756 nan 8.240 nan 0.000 0.466 395 I N -0.612 119.904 120.570 -0.091 0.000 3.176 395 I HA 0.235 4.405 4.170 -0.000 0.000 0.275 395 I C 2.145 178.166 176.117 -0.160 0.000 1.298 395 I CA 0.651 61.858 61.300 -0.155 0.000 1.445 395 I CB -0.312 37.534 38.000 -0.256 0.000 1.075 395 I HN 0.064 nan 8.210 nan 0.000 0.482 396 A N 1.057 123.803 122.820 -0.122 0.000 2.220 396 A HA 0.221 4.541 4.320 -0.000 0.000 0.211 396 A C 2.112 179.651 177.584 -0.076 0.000 1.176 396 A CA 0.107 52.079 52.037 -0.108 0.000 0.834 396 A CB -0.034 18.911 19.000 -0.091 0.000 0.868 396 A HN 0.416 nan 8.150 nan 0.000 0.488 397 K N -0.283 120.078 120.400 -0.065 0.000 2.399 397 K HA 0.174 4.494 4.320 -0.000 0.000 0.196 397 K C -0.264 176.303 176.600 -0.055 0.000 1.117 397 K CA 0.234 56.497 56.287 -0.040 0.000 0.965 397 K CB 0.723 33.215 32.500 -0.013 0.000 0.983 397 K HN 0.395 nan 8.250 nan 0.000 0.531 398 E N 1.679 121.828 120.200 -0.086 0.000 2.179 398 E HA 0.111 4.460 4.350 -0.000 0.000 0.275 398 E C -1.078 175.340 176.600 -0.304 0.000 0.945 398 E CA -0.537 55.795 56.400 -0.114 0.000 0.792 398 E CB 1.828 31.547 29.700 0.033 0.000 1.125 398 E HN -0.070 nan 8.360 nan 0.000 0.397 399 E N 2.526 122.543 120.200 -0.305 0.000 2.259 399 E HA 0.082 4.432 4.350 -0.000 0.000 0.281 399 E C 0.095 176.322 176.600 -0.623 0.000 1.037 399 E CA 0.004 56.082 56.400 -0.535 0.000 0.854 399 E CB 0.568 29.864 29.700 -0.673 0.000 1.051 399 E HN 0.597 nan 8.360 nan 0.000 0.409 400 I N 1.533 121.696 120.570 -0.678 0.000 4.070 400 I HA 0.357 4.527 4.170 -0.000 0.000 0.328 400 I C -0.153 175.942 176.117 -0.036 0.000 1.298 400 I CA -0.137 60.885 61.300 -0.464 0.000 1.173 400 I CB -0.164 37.410 38.000 -0.710 0.000 1.051 400 I HN 0.462 nan 8.210 nan 0.000 0.409 401 F N 1.813 121.739 119.950 -0.040 0.000 2.969 401 F HA -0.077 4.449 4.527 -0.000 0.000 0.273 401 F C 0.735 176.561 175.800 0.042 0.000 0.986 401 F CA 0.477 58.494 58.000 0.028 0.000 0.926 401 F CB -1.761 37.308 39.000 0.115 0.000 0.887 401 F HN 0.489 nan 8.300 nan 0.000 0.816 402 G N -0.258 108.588 108.800 0.077 0.000 2.727 402 G HA2 0.702 4.661 3.960 -0.000 0.000 0.289 402 G HA3 0.702 4.661 3.960 -0.000 0.000 0.289 402 G C -2.940 171.955 174.900 -0.009 0.000 1.418 402 G CA -1.148 43.995 45.100 0.073 0.000 0.818 402 G HN -0.155 nan 8.290 nan 0.000 0.486 403 P HA 0.254 nan 4.420 nan 0.000 0.225 403 P C -0.612 176.736 177.300 0.080 0.000 1.768 403 P CA -0.062 63.108 63.100 0.117 0.000 0.943 403 P CB 0.207 32.110 31.700 0.339 0.000 1.936 404 V N 2.696 122.536 119.914 -0.123 0.000 2.409 404 V HA 0.337 4.457 4.120 -0.000 0.000 0.290 404 V C 0.270 176.261 176.094 -0.171 0.000 1.017 404 V CA -0.645 61.622 62.300 -0.054 0.000 0.841 404 V CB 2.009 33.869 31.823 0.061 0.000 1.003 404 V HN 0.280 nan 8.190 nan 0.000 0.426 405 M N 4.192 123.700 119.600 -0.153 0.000 2.209 405 M HA 0.555 5.035 4.480 -0.000 0.000 0.355 405 M C -0.780 175.536 176.300 0.027 0.000 1.171 405 M CA -0.398 54.809 55.300 -0.155 0.000 1.069 405 M CB 1.348 33.860 32.600 -0.147 0.000 1.622 405 M HN 0.612 nan 8.290 nan 0.000 0.459 406 Q N 5.198 124.989 119.800 -0.015 0.000 2.314 406 Q HA 0.556 4.896 4.340 -0.000 0.000 0.259 406 Q C -1.186 174.801 176.000 -0.021 0.000 0.951 406 Q CA 0.105 55.918 55.803 0.016 0.000 0.909 406 Q CB 1.511 30.207 28.738 -0.071 0.000 1.236 406 Q HN 0.696 nan 8.270 nan 0.000 0.444 407 I N 4.130 124.731 120.570 0.051 0.000 2.362 407 I HA 0.356 4.526 4.170 -0.000 0.000 0.289 407 I C -0.899 175.280 176.117 0.104 0.000 0.994 407 I CA -0.849 60.490 61.300 0.066 0.000 1.158 407 I CB 0.858 38.929 38.000 0.118 0.000 1.315 407 I HN 0.331 nan 8.210 nan 0.000 0.451 408 L N 6.671 127.888 121.223 -0.009 0.000 2.334 408 L HA 0.505 4.845 4.340 -0.000 0.000 0.273 408 L C -0.056 176.951 176.870 0.228 0.000 1.013 408 L CA -0.459 54.377 54.840 -0.006 0.000 0.816 408 L CB 1.496 43.320 42.059 -0.392 0.000 1.278 408 L HN 0.456 nan 8.230 nan 0.000 0.431 409 K N 2.374 122.874 120.400 0.167 0.000 2.130 409 K HA 0.675 4.995 4.320 -0.000 0.000 0.268 409 K C -1.373 175.394 176.600 0.278 0.000 0.983 409 K CA -0.450 55.911 56.287 0.123 0.000 0.893 409 K CB 1.079 33.373 32.500 -0.344 0.000 1.066 409 K HN 0.528 nan 8.250 nan 0.000 0.450 410 F N 1.115 121.139 119.950 0.122 0.000 2.626 410 F HA 0.441 4.968 4.527 -0.000 0.000 0.311 410 F C 0.184 176.019 175.800 0.057 0.000 1.088 410 F CA -0.955 57.109 58.000 0.107 0.000 0.949 410 F CB 1.673 40.760 39.000 0.146 0.000 1.322 410 F HN 0.522 nan 8.300 nan 0.000 0.461 411 K N 0.161 120.614 120.400 0.087 0.000 2.216 411 K HA 0.201 4.521 4.320 -0.000 0.000 0.207 411 K C 0.311 176.943 176.600 0.053 0.000 1.041 411 K CA 1.097 57.359 56.287 -0.041 0.000 0.966 411 K CB 0.209 32.715 32.500 0.009 0.000 0.955 411 K HN 0.905 nan 8.250 nan 0.000 0.468 412 T N -2.200 112.491 114.554 0.229 0.000 2.950 412 T HA 0.262 4.612 4.350 -0.000 0.000 0.288 412 T C 1.118 176.006 174.700 0.312 0.000 1.035 412 T CA -0.843 61.385 62.100 0.214 0.000 1.028 412 T CB 1.453 70.379 68.868 0.098 0.000 1.109 412 T HN 0.180 nan 8.240 nan 0.000 0.514 413 I N 0.390 121.077 120.570 0.196 0.000 2.394 413 I HA -0.077 4.093 4.170 -0.000 0.000 0.251 413 I C 2.106 178.277 176.117 0.090 0.000 1.136 413 I CA 1.449 62.829 61.300 0.134 0.000 1.425 413 I CB -0.029 38.001 38.000 0.050 0.000 1.079 413 I HN 0.753 nan 8.210 nan 0.000 0.425 414 E N 0.617 120.858 120.200 0.068 0.000 2.072 414 E HA -0.273 4.076 4.350 -0.000 0.000 0.191 414 E C 1.957 178.579 176.600 0.037 0.000 0.985 414 E CA 1.328 57.779 56.400 0.085 0.000 0.801 414 E CB -0.253 29.480 29.700 0.054 0.000 0.750 414 E HN 0.528 nan 8.360 nan 0.000 0.452 415 E N 0.537 120.761 120.200 0.040 0.000 2.031 415 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 415 E C 2.113 178.653 176.600 -0.100 0.000 0.994 415 E CA 1.240 57.650 56.400 0.018 0.000 0.800 415 E CB -0.088 29.670 29.700 0.097 0.000 0.752 415 E HN 0.158 nan 8.360 nan 0.000 0.447 416 V N 0.507 120.288 119.914 -0.222 0.000 2.392 416 V HA -0.223 3.897 4.120 -0.000 0.000 0.249 416 V C 2.418 178.218 176.094 -0.491 0.000 1.059 416 V CA 1.539 63.472 62.300 -0.612 0.000 1.051 416 V CB -0.082 31.025 31.823 -1.193 0.000 0.658 416 V HN 0.235 nan 8.190 nan 0.000 0.455 417 V N 0.584 120.342 119.914 -0.260 0.000 2.287 417 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 417 V C 2.627 178.611 176.094 -0.185 0.000 1.053 417 V CA 2.392 64.577 62.300 -0.192 0.000 1.027 417 V CB -1.411 30.365 31.823 -0.079 0.000 0.646 417 V HN 0.647 nan 8.190 nan 0.000 0.447 418 G N -0.596 108.122 108.800 -0.136 0.000 2.421 418 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 418 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 418 G C 1.725 176.557 174.900 -0.113 0.000 1.171 418 G CA 0.766 45.806 45.100 -0.099 0.000 0.775 418 G HN 0.449 nan 8.290 nan 0.000 0.543 419 R N 0.512 120.915 120.500 -0.163 0.000 2.081 419 R HA 0.058 4.398 4.340 -0.000 0.000 0.235 419 R C 3.029 179.236 176.300 -0.156 0.000 1.131 419 R CA 1.127 57.153 56.100 -0.123 0.000 0.960 419 R CB -0.390 29.846 30.300 -0.107 0.000 0.856 419 R HN 0.346 nan 8.270 nan 0.000 0.436 420 A N 1.630 124.212 122.820 -0.396 0.000 1.902 420 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 420 A C 1.686 179.208 177.584 -0.103 0.000 1.181 420 A CA 1.519 53.388 52.037 -0.279 0.000 0.623 420 A CB -0.379 18.389 19.000 -0.386 0.000 0.818 420 A HN 0.238 nan 8.150 nan 0.000 0.443 421 N N 0.387 119.016 118.700 -0.119 0.000 2.457 421 N HA -0.070 4.669 4.740 -0.000 0.000 0.180 421 N C 0.475 175.957 175.510 -0.046 0.000 1.050 421 N CA 0.294 53.297 53.050 -0.080 0.000 0.906 421 N CB -0.467 37.965 38.487 -0.093 0.000 0.968 421 N HN 0.422 nan 8.380 nan 0.000 0.445 422 N N 1.452 120.132 118.700 -0.033 0.000 2.819 422 N HA -0.002 4.738 4.740 -0.000 0.000 0.284 422 N C -0.863 174.652 175.510 0.009 0.000 1.196 422 N CA 0.281 53.325 53.050 -0.009 0.000 1.114 422 N CB -0.020 38.469 38.487 0.002 0.000 1.437 422 N HN 0.043 nan 8.380 nan 0.000 0.518 427 L N 0.623 121.792 121.223 -0.090 0.000 2.162 427 L HA 0.781 5.121 4.340 -0.000 0.000 0.205 427 L C 1.025 177.776 176.870 -0.199 0.000 1.086 427 L CA 2.053 56.787 54.840 -0.176 0.000 0.778 427 L CB 0.043 42.064 42.059 -0.064 0.000 0.928 427 L HN 0.548 nan 8.230 nan 0.000 0.446 428 A N -1.877 120.898 122.820 -0.075 0.000 2.581 428 A HA 0.891 5.211 4.320 -0.000 0.000 0.290 428 A C -1.472 176.091 177.584 -0.036 0.000 1.119 428 A CA -0.120 51.833 52.037 -0.140 0.000 0.670 428 A CB 0.762 19.739 19.000 -0.038 0.000 1.280 428 A HN 0.523 nan 8.150 nan 0.000 0.425 429 A N -1.098 121.670 122.820 -0.085 0.000 2.597 429 A HA 0.998 5.317 4.320 -0.000 0.000 0.292 429 A C -0.682 176.981 177.584 0.133 0.000 1.057 429 A CA 0.137 52.222 52.037 0.079 0.000 0.674 429 A CB 0.582 19.581 19.000 -0.002 0.000 1.278 429 A HN 2.686 nan 8.150 nan 0.000 0.416 430 A N -0.193 122.815 122.820 0.313 0.000 2.556 430 A HA 0.833 5.153 4.320 -0.000 0.000 0.294 430 A C -1.489 176.295 177.584 0.332 0.000 1.091 430 A CA -0.531 51.737 52.037 0.385 0.000 0.704 430 A CB 1.648 21.097 19.000 0.749 0.000 1.300 430 A HN 1.797 nan 8.150 nan 0.000 0.406 431 V N 0.990 121.039 119.914 0.224 0.000 2.623 431 V HA 0.542 4.661 4.120 -0.000 0.000 0.304 431 V C -1.626 174.522 176.094 0.089 0.000 1.054 431 V CA -0.261 62.161 62.300 0.205 0.000 0.882 431 V CB 1.535 33.418 31.823 0.099 0.000 1.002 431 V HN 0.713 nan 8.190 nan 0.000 0.424 432 F N 2.778 122.842 119.950 0.189 0.000 2.402 432 F HA 0.782 5.308 4.527 -0.001 0.000 0.355 432 F C 0.362 176.273 175.800 0.184 0.000 1.123 432 F CA -0.215 57.911 58.000 0.209 0.000 1.021 432 F CB 2.033 41.165 39.000 0.219 0.000 1.160 432 F HN 0.507 nan 8.300 nan 0.000 0.451 433 T N 2.079 116.770 114.554 0.229 0.000 2.827 433 T HA 0.267 4.616 4.350 -0.000 0.000 0.328 433 T C 0.051 174.830 174.700 0.132 0.000 1.598 433 T CA -0.698 61.512 62.100 0.184 0.000 1.043 433 T CB 1.398 70.356 68.868 0.150 0.000 1.447 433 T HN 0.647 nan 8.240 nan 0.000 0.491 434 K N 0.817 121.287 120.400 0.115 0.000 2.367 434 K HA 0.189 4.509 4.320 -0.000 0.000 0.194 434 K C -0.178 176.458 176.600 0.060 0.000 1.027 434 K CA -0.052 56.284 56.287 0.081 0.000 1.075 434 K CB 0.273 32.819 32.500 0.077 0.000 0.845 434 K HN 0.496 nan 8.250 nan 0.000 0.529 435 D N 0.843 121.282 120.400 0.065 0.000 2.277 435 D HA 0.026 4.666 4.640 -0.000 0.000 0.249 435 D C 0.857 177.185 176.300 0.047 0.000 1.134 435 D CA -0.289 53.741 54.000 0.051 0.000 0.863 435 D CB 1.091 41.922 40.800 0.051 0.000 1.143 435 D HN -0.151 nan 8.370 nan 0.000 0.458 436 L N 4.139 125.384 121.223 0.037 0.000 1.989 436 L HA -0.143 4.197 4.340 -0.000 0.000 0.211 436 L C 1.259 178.155 176.870 0.043 0.000 1.071 436 L CA 1.971 56.831 54.840 0.034 0.000 0.749 436 L CB -0.407 41.667 42.059 0.026 0.000 0.890 436 L HN 0.508 nan 8.230 nan 0.000 0.431 437 D N -0.299 120.126 120.400 0.042 0.000 2.117 437 D HA -0.179 4.460 4.640 -0.000 0.000 0.197 437 D C 2.191 178.543 176.300 0.086 0.000 0.987 437 D CA 1.410 55.442 54.000 0.054 0.000 0.829 437 D CB -0.100 40.719 40.800 0.030 0.000 0.961 437 D HN 0.412 nan 8.370 nan 0.000 0.460 438 K N 0.607 121.050 120.400 0.071 0.000 2.026 438 K HA -0.052 4.267 4.320 -0.000 0.000 0.208 438 K C 2.169 178.851 176.600 0.136 0.000 1.048 438 K CA 1.190 57.539 56.287 0.103 0.000 0.929 438 K CB -0.131 32.419 32.500 0.084 0.000 0.713 438 K HN 0.031 nan 8.250 nan 0.000 0.439 439 A N 2.079 124.954 122.820 0.091 0.000 1.883 439 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 439 A C 1.858 179.477 177.584 0.057 0.000 1.186 439 A CA 1.807 53.884 52.037 0.066 0.000 0.624 439 A CB -0.522 18.503 19.000 0.041 0.000 0.822 439 A HN 0.237 nan 8.150 nan 0.000 0.444 440 N N -1.709 117.030 118.700 0.065 0.000 2.188 440 N HA -0.133 4.607 4.740 -0.000 0.000 0.184 440 N C 1.579 177.125 175.510 0.060 0.000 1.018 440 N CA 1.569 54.647 53.050 0.047 0.000 0.858 440 N CB -0.558 37.955 38.487 0.045 0.000 0.989 440 N HN 0.693 nan 8.380 nan 0.000 0.426 441 Y N 1.581 121.874 120.300 -0.013 0.000 2.145 441 Y HA -0.055 4.495 4.550 -0.000 0.000 0.286 441 Y C 2.180 178.062 175.900 -0.031 0.000 1.145 441 Y CA 1.378 59.467 58.100 -0.018 0.000 1.148 441 Y CB -0.412 38.042 38.460 -0.010 0.000 0.981 441 Y HN -0.057 nan 8.280 nan 0.000 0.507 442 L N -0.145 121.114 121.223 0.061 0.000 2.093 442 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 442 L C 2.756 179.557 176.870 -0.116 0.000 1.085 442 L CA 1.542 56.352 54.840 -0.050 0.000 0.755 442 L CB -0.793 41.301 42.059 0.058 0.000 0.904 442 L HN 0.403 nan 8.230 nan 0.000 0.435 443 S N -1.011 114.642 115.700 -0.078 0.000 2.402 443 S HA -0.269 4.201 4.470 -0.000 0.000 0.229 443 S C 1.896 176.417 174.600 -0.132 0.000 1.021 443 S CA 1.223 59.365 58.200 -0.098 0.000 0.974 443 S CB -0.253 62.904 63.200 -0.071 0.000 0.800 443 S HN 0.506 nan 8.310 nan 0.000 0.484 444 Q N 0.890 120.599 119.800 -0.151 0.000 2.123 444 Q HA 0.158 4.498 4.340 -0.000 0.000 0.196 444 Q C 2.257 178.128 176.000 -0.215 0.000 0.958 444 Q CA 0.982 56.686 55.803 -0.166 0.000 0.841 444 Q CB -0.443 28.204 28.738 -0.152 0.000 0.915 444 Q HN 0.699 nan 8.270 nan 0.000 0.455 445 A N 0.715 123.346 122.820 -0.316 0.000 1.968 445 A HA 0.062 4.381 4.320 -0.000 0.000 0.217 445 A C 0.967 178.414 177.584 -0.229 0.000 1.169 445 A CA 0.207 52.044 52.037 -0.333 0.000 0.638 445 A CB -0.381 18.282 19.000 -0.562 0.000 0.812 445 A HN 0.368 nan 8.150 nan 0.000 0.446 446 L N 1.079 122.181 121.223 -0.200 0.000 2.462 446 L HA 0.031 4.371 4.340 -0.000 0.000 0.272 446 L C 0.050 176.831 176.870 -0.148 0.000 1.166 446 L CA -0.064 54.680 54.840 -0.160 0.000 0.880 446 L CB 0.486 42.462 42.059 -0.137 0.000 1.142 446 L HN 0.422 nan 8.230 nan 0.000 0.473 447 Q N 3.984 123.705 119.800 -0.131 0.000 2.681 447 Q HA 0.527 4.866 4.340 -0.000 0.000 0.222 447 Q C -0.420 175.505 176.000 -0.125 0.000 1.258 447 Q CA -0.283 55.447 55.803 -0.123 0.000 1.014 447 Q CB 0.923 29.599 28.738 -0.104 0.000 1.384 447 Q HN 0.691 nan 8.270 nan 0.000 0.570 448 A N 0.078 122.807 122.820 -0.152 0.000 2.539 448 A HA 0.686 5.006 4.320 -0.000 0.000 0.296 448 A C 0.843 178.291 177.584 -0.226 0.000 1.073 448 A CA -0.434 51.498 52.037 -0.175 0.000 0.700 448 A CB 1.228 20.125 19.000 -0.172 0.000 1.296 448 A HN 0.571 nan 8.150 nan 0.000 0.405 449 G N -0.051 108.589 108.800 -0.267 0.000 2.422 449 G HA2 0.286 4.246 3.960 -0.000 0.000 0.218 449 G HA3 0.286 4.246 3.960 -0.000 0.000 0.218 449 G C 0.492 175.184 174.900 -0.346 0.000 1.140 449 G CA 1.665 46.577 45.100 -0.313 0.000 0.775 449 G HN 0.838 nan 8.290 nan 0.000 0.545 450 T N -0.302 114.002 114.554 -0.416 0.000 2.921 450 T HA 0.512 4.861 4.350 -0.000 0.000 0.297 450 T C -1.148 173.141 174.700 -0.685 0.000 1.013 450 T CA -0.407 61.354 62.100 -0.564 0.000 0.990 450 T CB 2.740 71.174 68.868 -0.723 0.000 1.023 450 T HN -0.098 nan 8.240 nan 0.000 0.447 451 V N 3.708 123.266 119.914 -0.595 0.000 2.407 451 V HA 0.446 4.566 4.120 -0.000 0.000 0.291 451 V C -0.708 175.128 176.094 -0.431 0.000 1.018 451 V CA -1.023 61.013 62.300 -0.440 0.000 0.842 451 V CB 1.296 32.979 31.823 -0.233 0.000 0.996 451 V HN 0.765 nan 8.190 nan 0.000 0.426 452 W N 3.434 124.643 121.300 -0.151 0.000 2.376 452 W HA 0.646 5.306 4.660 -0.000 0.000 0.322 452 W C -0.523 175.907 176.519 -0.147 0.000 1.160 452 W CA -0.716 56.531 57.345 -0.163 0.000 1.218 452 W CB 1.866 31.192 29.460 -0.224 0.000 1.205 452 W HN 0.261 nan 8.180 nan 0.000 0.559 453 V N 4.558 124.511 119.914 0.064 0.000 2.407 453 V HA 0.129 4.249 4.120 -0.000 0.000 0.291 453 V C 0.131 176.110 176.094 -0.192 0.000 1.018 453 V CA -0.987 61.268 62.300 -0.076 0.000 0.842 453 V CB 1.044 32.849 31.823 -0.031 0.000 0.996 453 V HN 0.670 nan 8.190 nan 0.000 0.426 454 N N 2.232 120.573 118.700 -0.598 0.000 2.725 454 N HA -0.177 4.563 4.740 -0.000 0.000 0.249 454 N C -0.235 175.182 175.510 -0.154 0.000 1.103 454 N CA 1.281 53.932 53.050 -0.665 0.000 0.707 454 N CB -1.103 37.358 38.487 -0.045 0.000 1.043 454 N HN 1.051 nan 8.380 nan 0.000 0.553 455 C N -4.206 114.944 119.300 -0.250 0.000 3.248 455 C HA 0.803 5.263 4.460 -0.000 0.000 0.356 455 C C -1.170 173.899 174.990 0.132 0.000 1.457 455 C CA -1.326 57.776 59.018 0.140 0.000 1.195 455 C CB 1.782 29.573 27.740 0.085 0.000 1.591 455 C HN 0.281 nan 8.230 nan 0.000 0.444 456 Y N -0.101 120.019 120.300 -0.300 0.000 2.565 456 Y HA 0.452 5.002 4.550 -0.001 0.000 0.330 456 Y C -0.471 174.776 175.900 -1.088 0.000 1.150 456 Y CA 0.423 58.104 58.100 -0.698 0.000 1.055 456 Y CB 1.280 39.684 38.460 -0.093 0.000 1.337 456 Y HN 1.027 nan 8.280 nan 0.000 0.457 457 D N 2.020 121.101 120.400 -2.197 0.000 2.772 457 D HA -0.133 4.507 4.640 -0.000 0.000 0.233 457 D C -0.999 174.728 176.300 -0.955 0.000 1.143 457 D CA 0.984 54.238 54.000 -1.243 0.000 0.700 457 D CB -1.003 39.691 40.800 -0.177 0.000 1.076 457 D HN 0.153 nan 8.370 nan 0.000 0.430 458 V N 1.468 120.652 119.914 -1.218 0.000 2.320 458 V HA 0.364 4.484 4.120 -0.000 0.000 0.265 458 V C 0.438 176.407 176.094 -0.208 0.000 1.048 458 V CA -0.314 61.730 62.300 -0.426 0.000 0.865 458 V CB 0.077 31.761 31.823 -0.231 0.000 1.043 458 V HN -0.011 nan 8.190 nan 0.000 0.474 459 F N 2.196 122.208 119.950 0.104 0.000 2.507 459 F HA 0.864 5.391 4.527 -0.000 0.000 0.327 459 F C 0.831 176.660 175.800 0.048 0.000 1.068 459 F CA -0.591 57.472 58.000 0.106 0.000 0.965 459 F CB 2.053 41.096 39.000 0.071 0.000 1.192 459 F HN 0.500 nan 8.300 nan 0.000 0.476 460 G N -0.380 108.536 108.800 0.194 0.000 2.574 460 G HA2 0.528 4.488 3.960 -0.000 0.000 0.299 460 G HA3 0.528 4.488 3.960 -0.000 0.000 0.299 460 G C 0.048 174.915 174.900 -0.055 0.000 1.298 460 G CA -0.424 44.705 45.100 0.049 0.000 0.952 460 G HN 0.855 nan 8.290 nan 0.000 0.477 461 A N 0.420 123.132 122.820 -0.181 0.000 2.019 461 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 461 A C 2.138 179.227 177.584 -0.825 0.000 1.164 461 A CA 1.993 53.801 52.037 -0.381 0.000 0.644 461 A CB -0.166 18.596 19.000 -0.396 0.000 0.805 461 A HN 0.607 nan 8.150 nan 0.000 0.449 462 Q N -0.344 118.996 119.800 -0.766 0.000 2.424 462 Q HA 0.155 4.495 4.340 -0.000 0.000 0.204 462 Q C 0.099 176.046 176.000 -0.088 0.000 0.933 462 Q CA 0.509 55.991 55.803 -0.535 0.000 0.929 462 Q CB -0.492 28.074 28.738 -0.286 0.000 1.037 462 Q HN 0.359 nan 8.270 nan 0.000 0.511 463 S N 3.391 119.061 115.700 -0.050 0.000 2.480 463 S HA 0.473 4.943 4.470 -0.000 0.000 0.286 463 S C -2.408 172.234 174.600 0.070 0.000 1.180 463 S CA -1.143 57.087 58.200 0.051 0.000 1.075 463 S CB 1.382 64.617 63.200 0.059 0.000 0.996 463 S HN 0.105 nan 8.310 nan 0.000 0.487 464 P HA 0.295 nan 4.420 nan 0.000 0.269 464 P C -0.979 176.374 177.300 0.087 0.000 1.215 464 P CA -0.157 62.978 63.100 0.059 0.000 0.780 464 P CB 0.294 31.945 31.700 -0.081 0.000 0.898 465 F N 0.736 120.608 119.950 -0.130 0.000 2.630 465 F HA 0.574 5.100 4.527 -0.000 0.000 0.325 465 F C 0.251 175.985 175.800 -0.110 0.000 1.184 465 F CA 0.026 57.965 58.000 -0.102 0.000 1.011 465 F CB 1.426 40.382 39.000 -0.073 0.000 1.268 465 F HN 0.437 nan 8.300 nan 0.000 0.480 466 G N 2.255 110.669 108.800 -0.642 0.000 3.408 466 G HA2 0.504 4.464 3.960 -0.000 0.000 0.214 466 G HA3 0.504 4.464 3.960 -0.000 0.000 0.214 466 G C 0.268 174.933 174.900 -0.392 0.000 1.557 466 G CA 0.387 45.230 45.100 -0.429 0.000 0.801 466 G HN 1.714 nan 8.290 nan 0.000 0.883 476 E N 2.227 122.421 120.200 -0.011 0.000 2.263 476 E HA 0.688 5.038 4.350 -0.000 0.000 0.264 476 E C -0.223 176.341 176.600 -0.061 0.000 0.923 476 E CA -1.003 55.380 56.400 -0.029 0.000 0.802 476 E CB 2.030 31.679 29.700 -0.085 0.000 1.228 476 E HN 0.418 nan 8.360 nan 0.000 0.417 477 L N -0.064 121.146 121.223 -0.022 0.000 0.585 477 L HA -0.263 4.076 4.340 -0.000 0.000 0.356 477 L C 0.616 177.597 176.870 0.185 0.000 0.963 477 L CA 0.771 55.642 54.840 0.052 0.000 1.223 477 L CB -1.241 40.677 42.059 -0.235 0.000 0.011 477 L HN 1.021 nan 8.230 nan 0.000 0.091 478 G N 0.246 109.144 108.800 0.163 0.000 2.749 478 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.242 478 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.242 478 G C 0.396 175.432 174.900 0.226 0.000 1.364 478 G CA 0.904 46.165 45.100 0.268 0.000 0.888 478 G HN 1.161 nan 8.290 nan 0.000 0.566 479 E N -1.009 119.221 120.200 0.050 0.000 2.150 479 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 479 E C 2.118 178.440 176.600 -0.462 0.000 0.985 479 E CA 1.637 57.729 56.400 -0.513 0.000 0.814 479 E CB -0.142 29.291 29.700 -0.446 0.000 0.752 479 E HN 0.641 nan 8.360 nan 0.000 0.466 480 Y N -0.342 119.891 120.300 -0.110 0.000 2.333 480 Y HA -0.056 4.494 4.550 -0.001 0.000 0.290 480 Y C 2.415 178.256 175.900 -0.098 0.000 1.144 480 Y CA 0.901 58.948 58.100 -0.089 0.000 1.228 480 Y CB -0.472 37.962 38.460 -0.042 0.000 0.985 480 Y HN 0.155 nan 8.280 nan 0.000 0.542 481 G N -0.114 108.742 108.800 0.095 0.000 2.509 481 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.218 481 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.218 481 G C 1.451 176.368 174.900 0.029 0.000 1.124 481 G CA 0.647 45.800 45.100 0.089 0.000 0.776 481 G HN 0.383 nan 8.290 nan 0.000 0.547 482 L N -0.537 120.566 121.223 -0.200 0.000 2.270 482 L HA 0.016 4.356 4.340 -0.000 0.000 0.210 482 L C 2.956 179.675 176.870 -0.251 0.000 1.104 482 L CA 0.423 55.034 54.840 -0.381 0.000 0.804 482 L CB -0.414 40.984 42.059 -1.102 0.000 0.937 482 L HN 0.251 nan 8.230 nan 0.000 0.450 483 Q N 0.644 120.342 119.800 -0.170 0.000 2.096 483 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 483 Q C 2.363 178.322 176.000 -0.069 0.000 0.982 483 Q CA 1.777 57.550 55.803 -0.050 0.000 0.850 483 Q CB -0.303 28.435 28.738 -0.001 0.000 0.901 483 Q HN 0.550 nan 8.270 nan 0.000 0.422 484 A N -0.274 122.476 122.820 -0.118 0.000 2.168 484 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 484 A C 0.920 178.254 177.584 -0.416 0.000 1.152 484 A CA 0.742 52.618 52.037 -0.269 0.000 0.716 484 A CB -0.266 18.515 19.000 -0.365 0.000 0.794 484 A HN 0.401 nan 8.150 nan 0.000 0.465 485 Y N 0.373 120.631 120.300 -0.070 0.000 2.555 485 Y HA 0.189 4.739 4.550 -0.000 0.000 0.259 485 Y C 0.895 176.793 175.900 -0.003 0.000 1.179 485 Y CA 0.377 58.448 58.100 -0.048 0.000 1.230 485 Y CB 0.449 38.866 38.460 -0.072 0.000 1.146 485 Y HN 0.318 nan 8.280 nan 0.000 0.526 486 T N -2.626 111.982 114.554 0.090 0.000 2.896 486 T HA 0.582 4.931 4.350 -0.000 0.000 0.297 486 T C -0.902 173.831 174.700 0.054 0.000 1.108 486 T CA -1.162 61.007 62.100 0.116 0.000 1.004 486 T CB 2.674 71.651 68.868 0.181 0.000 1.159 486 T HN -0.101 nan 8.240 nan 0.000 0.499 487 K N 1.177 121.627 120.400 0.083 0.000 2.259 487 K HA 0.658 4.978 4.320 -0.000 0.000 0.252 487 K C -1.070 175.579 176.600 0.082 0.000 0.936 487 K CA -1.008 55.314 56.287 0.058 0.000 0.810 487 K CB 2.569 35.111 32.500 0.071 0.000 1.143 487 K HN 0.442 nan 8.250 nan 0.000 0.427 488 V N 3.083 123.032 119.914 0.059 0.000 2.407 488 V HA 0.234 4.354 4.120 -0.000 0.000 0.278 488 V C -0.038 176.091 176.094 0.058 0.000 1.037 488 V CA -0.553 61.809 62.300 0.103 0.000 0.900 488 V CB 0.999 32.868 31.823 0.077 0.000 0.983 488 V HN 0.641 nan 8.190 nan 0.000 0.459 489 K N 3.165 123.598 120.400 0.055 0.000 2.274 489 K HA 0.553 4.872 4.320 -0.000 0.000 0.262 489 K C -0.643 175.913 176.600 -0.073 0.000 0.961 489 K CA -0.356 55.927 56.287 -0.007 0.000 0.833 489 K CB 1.550 34.051 32.500 0.002 0.000 1.102 489 K HN 0.701 nan 8.250 nan 0.000 0.436 490 T N 2.856 117.334 114.554 -0.126 0.000 2.795 490 T HA 0.354 4.703 4.350 -0.000 0.000 0.282 490 T C -0.880 173.621 174.700 -0.332 0.000 0.980 490 T CA -0.556 61.409 62.100 -0.226 0.000 1.012 490 T CB 1.321 70.085 68.868 -0.173 0.000 0.936 490 T HN 0.295 nan 8.240 nan 0.000 0.457 491 V N 3.527 123.073 119.914 -0.613 0.000 2.487 491 V HA 0.545 4.664 4.120 -0.000 0.000 0.298 491 V C -0.049 175.652 176.094 -0.655 0.000 1.028 491 V CA -0.701 61.196 62.300 -0.672 0.000 0.860 491 V CB 2.034 33.258 31.823 -0.998 0.000 0.991 491 V HN 0.961 nan 8.190 nan 0.000 0.427 492 T N 4.320 118.665 114.554 -0.348 0.000 2.864 492 T HA 0.533 4.882 4.350 -0.000 0.000 0.299 492 T C -0.521 174.151 174.700 -0.047 0.000 1.011 492 T CA -0.341 61.624 62.100 -0.226 0.000 0.975 492 T CB 1.438 70.163 68.868 -0.238 0.000 0.962 492 T HN 0.343 nan 8.240 nan 0.000 0.448 493 V N 3.992 123.957 119.914 0.085 0.000 2.417 493 V HA 0.450 4.570 4.120 -0.000 0.000 0.291 493 V C 0.452 176.751 176.094 0.341 0.000 1.024 493 V CA -1.143 61.285 62.300 0.214 0.000 0.861 493 V CB 1.640 33.625 31.823 0.270 0.000 0.985 493 V HN 0.735 nan 8.190 nan 0.000 0.436 494 K N 4.139 124.717 120.400 0.297 0.000 2.412 494 K HA 0.434 4.754 4.320 -0.000 0.000 0.281 494 K C -0.480 176.145 176.600 0.041 0.000 1.027 494 K CA -0.174 56.199 56.287 0.143 0.000 0.989 494 K CB 0.897 33.460 32.500 0.104 0.000 0.935 494 K HN 0.687 nan 8.250 nan 0.000 0.475 495 V N 1.916 121.790 119.914 -0.067 0.000 3.074 495 V HA 0.416 4.536 4.120 -0.000 0.000 0.314 495 V C -2.117 173.925 176.094 -0.087 0.000 1.117 495 V CA -1.951 60.331 62.300 -0.030 0.000 1.014 495 V CB 1.254 33.092 31.823 0.024 0.000 1.057 495 V HN 0.672 nan 8.190 nan 0.000 0.438 496 P HA -0.118 nan 4.420 nan 0.000 0.208 496 P C -0.077 177.178 177.300 -0.074 0.000 1.180 496 P CA 1.423 64.487 63.100 -0.060 0.000 0.935 496 P CB 0.106 31.782 31.700 -0.042 0.000 0.785 497 Q N -0.928 118.834 119.800 -0.062 0.000 2.309 497 Q HA 0.178 4.518 4.340 -0.000 0.000 0.254 497 Q C -1.000 174.972 176.000 -0.046 0.000 0.938 497 Q CA -0.697 55.071 55.803 -0.059 0.000 0.789 497 Q CB 1.115 29.826 28.738 -0.045 0.000 1.313 497 Q HN -0.111 nan 8.270 nan 0.000 0.438 498 K N 3.635 124.008 120.400 -0.044 0.000 2.350 498 K HA 0.229 4.549 4.320 -0.000 0.000 0.279 498 K C -0.905 175.688 176.600 -0.011 0.000 1.027 498 K CA 0.200 56.477 56.287 -0.017 0.000 0.969 498 K CB 0.604 33.107 32.500 0.004 0.000 0.954 498 K HN 0.612 nan 8.250 nan 0.000 0.474 499 N N 1.419 120.114 118.700 -0.008 0.000 2.242 499 N HA 0.100 4.839 4.740 -0.000 0.000 0.292 499 N C -0.838 174.672 175.510 0.000 0.000 1.125 499 N CA -0.529 52.517 53.050 -0.007 0.000 0.783 499 N CB 2.002 40.480 38.487 -0.016 0.000 1.558 499 N HN 0.743 nan 8.380 nan 0.000 0.472 500 S N 0.000 115.702 115.700 0.004 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.205 58.200 0.008 0.000 1.107 500 S CB 0.000 63.205 63.200 0.008 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517