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 3o3u_1_N DATA FIRST_RESID 2 DATA SEQUENCE IEEGKLVIWI NGDKGYNGLA EVGKKFEKDT GIKVTVEHPD KLEEKFPQVA DATA SEQUENCE ATGDGPDIIF WAHDRFGGYA QSGLLAEITP DKAFQDKLYP FTWDAVRYNG DATA SEQUENCE KLIAYPIAVE ALSLIYNKDL LPNPPKTWEE IPALDKELKA KGKSALMFNL DATA SEQUENCE QEPYFTWPLI AADGGYAFKY ENGKYDIKDV GVDNAGAKAG LTFLVDLIKN DATA SEQUENCE KHMNADTDYS IAEAAFNKGE TAMTINGPWA WSNIDTSKVN YGVTVLPTFK DATA SEQUENCE GQPSKPFVGV LSAGINAASP NKELAKEFLE NYLLTDEGLE AVNKDKPLGA DATA SEQUENCE VALKSYEEEL AKDPRIAATM ENAQKGEIMP NIPQMSAFWY AVRTAVINAA DATA SEQUENCE SGRQTVDAAL AAAQTNAAAA SXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XAQNITARIG EPLVLKcKGA PKKPPQRLEW DATA SEQUENCE KLNTGRTEAW KVLSPQGGGP WDSVARVLPN GSLFLPAVGI QDEGIFRcQA DATA SEQUENCE MNRNGKETKS NYRVRVYQIP GKPEIVDSAS ELTAGVPNKV GTcVSEGSYP DATA SEQUENCE AGTLSWHLDG KPLVPNEKGV SVKEQTRRHP ETGLFTLQSE LMVTPARGGD DATA SEQUENCE PRPTFScSFS PGLPRHRALR TAPIQPRVWE 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 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.092 176.117 -0.042 0.000 1.063 2 I CA 0.000 61.264 61.300 -0.060 0.000 1.566 2 I CB 0.000 37.954 38.000 -0.076 0.000 1.214 3 E N 4.965 125.143 120.200 -0.036 0.000 2.344 3 E HA 0.176 4.526 4.350 -0.000 0.000 0.270 3 E C -0.438 176.149 176.600 -0.022 0.000 1.021 3 E CA -0.277 56.108 56.400 -0.025 0.000 0.887 3 E CB 1.329 31.017 29.700 -0.020 0.000 0.997 3 E HN 0.410 nan 8.360 nan 0.000 0.429 4 E N 0.741 120.931 120.200 -0.016 0.000 2.354 4 E HA 0.183 4.533 4.350 -0.000 0.000 0.269 4 E C 0.534 177.131 176.600 -0.005 0.000 1.036 4 E CA 0.388 56.782 56.400 -0.010 0.000 0.876 4 E CB 0.615 30.310 29.700 -0.007 0.000 1.009 4 E HN 0.765 nan 8.360 nan 0.000 0.416 5 G N 3.329 112.130 108.800 0.002 0.000 2.131 5 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.223 5 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.223 5 G C -0.210 174.697 174.900 0.011 0.000 0.990 5 G CA 0.604 45.709 45.100 0.008 0.000 0.671 5 G HN 0.588 nan 8.290 nan 0.000 0.521 6 K N -1.317 119.086 120.400 0.006 0.000 2.578 6 K HA 0.826 5.146 4.320 -0.000 0.000 0.287 6 K C -1.268 175.317 176.600 -0.025 0.000 1.010 6 K CA -1.354 54.935 56.287 0.003 0.000 0.889 6 K CB 1.174 33.669 32.500 -0.008 0.000 1.514 6 K HN 0.213 nan 8.250 nan 0.000 0.424 7 L N 1.719 122.906 121.223 -0.060 0.000 2.356 7 L HA 0.539 4.879 4.340 -0.000 0.000 0.277 7 L C -1.114 175.683 176.870 -0.121 0.000 0.996 7 L CA -1.319 53.444 54.840 -0.130 0.000 0.822 7 L CB 2.164 44.060 42.059 -0.272 0.000 1.256 7 L HN 0.406 nan 8.230 nan 0.000 0.413 8 V N 4.840 124.692 119.914 -0.103 0.000 2.417 8 V HA 0.491 4.611 4.120 -0.000 0.000 0.291 8 V C 0.002 176.055 176.094 -0.068 0.000 1.024 8 V CA -0.320 61.943 62.300 -0.062 0.000 0.861 8 V CB 1.996 33.789 31.823 -0.050 0.000 0.985 8 V HN 0.505 nan 8.190 nan 0.000 0.436 9 I N 3.744 124.332 120.570 0.031 0.000 2.474 9 I HA 0.457 4.627 4.170 -0.000 0.000 0.294 9 I C -1.100 175.234 176.117 0.363 0.000 1.005 9 I CA -0.454 60.925 61.300 0.132 0.000 1.113 9 I CB 2.119 40.192 38.000 0.121 0.000 1.289 9 I HN 0.502 nan 8.210 nan 0.000 0.436 10 W N 7.150 128.524 121.300 0.123 0.000 2.478 10 W HA 0.696 5.356 4.660 -0.000 0.000 0.318 10 W C -0.368 176.268 176.519 0.195 0.000 1.062 10 W CA -0.998 56.411 57.345 0.107 0.000 1.210 10 W CB 1.292 30.797 29.460 0.074 0.000 1.325 10 W HN 0.212 nan 8.180 nan 0.000 0.496 11 I N 2.979 123.733 120.570 0.308 0.000 2.913 11 I HA 0.312 4.482 4.170 -0.000 0.000 0.302 11 I C -0.387 175.820 176.117 0.151 0.000 1.246 11 I CA -0.849 60.581 61.300 0.217 0.000 1.010 11 I CB 1.849 39.822 38.000 -0.045 0.000 1.259 11 I HN 0.237 nan 8.210 nan 0.000 0.434 12 N N 3.117 121.886 118.700 0.116 0.000 2.453 12 N HA 0.221 4.961 4.740 -0.000 0.000 0.253 12 N C 0.970 176.470 175.510 -0.016 0.000 1.252 12 N CA 1.018 54.090 53.050 0.038 0.000 0.917 12 N CB 1.536 39.930 38.487 -0.156 0.000 1.117 12 N HN 0.741 nan 8.380 nan 0.000 0.442 13 G N 0.668 109.451 108.800 -0.027 0.000 2.559 13 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 13 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 13 G C 0.651 175.538 174.900 -0.021 0.000 1.126 13 G CA 0.744 45.826 45.100 -0.031 0.000 0.778 13 G HN 0.810 nan 8.290 nan 0.000 0.543 14 D N -0.393 119.897 120.400 -0.183 0.000 2.340 14 D HA 0.062 4.702 4.640 -0.000 0.000 0.220 14 D C 0.963 177.149 176.300 -0.191 0.000 1.039 14 D CA 0.258 54.108 54.000 -0.251 0.000 0.866 14 D CB 0.238 40.709 40.800 -0.549 0.000 0.913 14 D HN -0.005 nan 8.370 nan 0.000 0.523 15 K N 0.137 120.446 120.400 -0.153 0.000 2.240 15 K HA 0.541 4.861 4.320 -0.000 0.000 0.237 15 K C 0.873 177.387 176.600 -0.143 0.000 1.027 15 K CA -0.741 55.473 56.287 -0.121 0.000 0.937 15 K CB 0.597 33.015 32.500 -0.138 0.000 1.171 15 K HN 0.017 nan 8.250 nan 0.000 0.479 16 G N 1.768 110.486 108.800 -0.138 0.000 3.213 16 G HA2 0.097 4.057 3.960 -0.000 0.000 0.263 16 G HA3 0.097 4.057 3.960 -0.000 0.000 0.263 16 G C 0.713 175.496 174.900 -0.195 0.000 0.829 16 G CA -0.141 44.839 45.100 -0.201 0.000 1.983 16 G HN 0.574 nan 8.290 nan 0.000 0.616 17 Y N -0.509 119.717 120.300 -0.123 0.000 2.373 17 Y HA -0.036 4.513 4.550 -0.000 0.000 0.293 17 Y C 2.063 177.932 175.900 -0.052 0.000 1.129 17 Y CA 0.570 58.605 58.100 -0.107 0.000 1.226 17 Y CB -0.427 37.967 38.460 -0.110 0.000 1.000 17 Y HN 0.251 nan 8.280 nan 0.000 0.549 18 N N 1.115 119.710 118.700 -0.176 0.000 2.142 18 N HA -0.086 4.654 4.740 -0.000 0.000 0.186 18 N C 2.149 177.652 175.510 -0.011 0.000 1.023 18 N CA 1.435 54.467 53.050 -0.030 0.000 0.852 18 N CB -0.836 37.583 38.487 -0.113 0.000 0.998 18 N HN 0.607 nan 8.380 nan 0.000 0.424 19 G N 1.460 110.226 108.800 -0.056 0.000 2.418 19 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 19 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 19 G C 1.576 176.489 174.900 0.023 0.000 1.158 19 G CA 0.439 45.530 45.100 -0.014 0.000 0.771 19 G HN 0.234 nan 8.290 nan 0.000 0.545 20 L N 1.387 122.620 121.223 0.016 0.000 2.083 20 L HA 0.171 4.511 4.340 -0.000 0.000 0.209 20 L C 3.023 179.968 176.870 0.124 0.000 1.083 20 L CA 1.968 56.843 54.840 0.058 0.000 0.752 20 L CB -0.688 41.357 42.059 -0.024 0.000 0.899 20 L HN 0.235 nan 8.230 nan 0.000 0.433 21 A N -0.949 121.932 122.820 0.101 0.000 1.972 21 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 21 A C 2.147 179.799 177.584 0.114 0.000 1.169 21 A CA 1.706 53.807 52.037 0.107 0.000 0.635 21 A CB -0.541 18.523 19.000 0.108 0.000 0.810 21 A HN 0.609 nan 8.150 nan 0.000 0.446 22 E N -0.356 119.904 120.200 0.099 0.000 2.110 22 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 22 E C 1.940 178.622 176.600 0.138 0.000 0.988 22 E CA 1.243 57.702 56.400 0.098 0.000 0.804 22 E CB -0.251 29.489 29.700 0.067 0.000 0.745 22 E HN 0.423 nan 8.360 nan 0.000 0.458 23 V N 0.858 120.869 119.914 0.162 0.000 2.343 23 V HA -0.211 3.909 4.120 -0.000 0.000 0.247 23 V C 2.367 178.684 176.094 0.373 0.000 1.051 23 V CA 1.961 64.392 62.300 0.219 0.000 1.036 23 V CB -1.033 30.885 31.823 0.158 0.000 0.654 23 V HN 0.417 nan 8.190 nan 0.000 0.451 24 G N -0.063 108.965 108.800 0.379 0.000 2.442 24 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 24 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 24 G C 1.636 176.677 174.900 0.235 0.000 1.141 24 G CA 0.577 45.858 45.100 0.301 0.000 0.763 24 G HN 0.377 nan 8.290 nan 0.000 0.554 25 K N 0.579 121.086 120.400 0.177 0.000 2.097 25 K HA -0.011 4.309 4.320 -0.000 0.000 0.205 25 K C 2.236 178.925 176.600 0.148 0.000 1.050 25 K CA 1.007 57.374 56.287 0.133 0.000 0.938 25 K CB -0.301 32.259 32.500 0.100 0.000 0.718 25 K HN 0.400 nan 8.250 nan 0.000 0.442 26 K N -0.009 120.510 120.400 0.199 0.000 2.097 26 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 26 K C 2.073 178.816 176.600 0.240 0.000 1.050 26 K CA 0.845 57.269 56.287 0.228 0.000 0.938 26 K CB -0.198 32.473 32.500 0.284 0.000 0.718 26 K HN -0.026 nan 8.250 nan 0.000 0.442 27 F N 2.247 122.196 119.950 -0.002 0.000 2.134 27 F HA -0.172 4.354 4.527 -0.000 0.000 0.299 27 F C 2.221 177.939 175.800 -0.137 0.000 1.097 27 F CA 1.900 59.696 58.000 -0.339 0.000 1.264 27 F CB -0.174 38.673 39.000 -0.254 0.000 1.001 27 F HN 0.175 nan 8.300 nan 0.000 0.479 28 E N 0.281 120.508 120.200 0.044 0.000 2.110 28 E HA -0.282 4.068 4.350 -0.000 0.000 0.193 28 E C 2.340 178.901 176.600 -0.064 0.000 0.988 28 E CA 1.271 57.654 56.400 -0.029 0.000 0.804 28 E CB -0.243 29.485 29.700 0.046 0.000 0.745 28 E HN 0.437 nan 8.360 nan 0.000 0.458 29 K N 0.214 120.609 120.400 -0.009 0.000 2.057 29 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 29 K C 1.394 177.976 176.600 -0.029 0.000 1.049 29 K CA 1.886 58.174 56.287 0.000 0.000 0.931 29 K CB 0.062 32.588 32.500 0.043 0.000 0.714 29 K HN 0.071 nan 8.250 nan 0.000 0.440 30 D N -0.717 119.652 120.400 -0.051 0.000 2.213 30 D HA -0.073 4.567 4.640 -0.000 0.000 0.205 30 D C 1.665 177.874 176.300 -0.150 0.000 0.961 30 D CA 1.649 55.618 54.000 -0.051 0.000 0.853 30 D CB 0.338 41.175 40.800 0.062 0.000 0.967 30 D HN 0.486 nan 8.370 nan 0.000 0.496 31 T N -4.762 109.612 114.554 -0.300 0.000 2.975 31 T HA 0.367 4.717 4.350 -0.000 0.000 0.261 31 T C 1.662 176.227 174.700 -0.225 0.000 0.984 31 T CA 0.708 62.601 62.100 -0.345 0.000 0.911 31 T CB 0.972 69.408 68.868 -0.721 0.000 1.127 31 T HN 0.120 nan 8.240 nan 0.000 0.514 32 G N 1.855 110.552 108.800 -0.172 0.000 2.184 32 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.264 32 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.264 32 G C -0.010 174.845 174.900 -0.075 0.000 0.975 32 G CA 0.174 45.217 45.100 -0.095 0.000 0.642 32 G HN 0.575 nan 8.290 nan 0.000 0.536 33 I N 1.214 121.717 120.570 -0.112 0.000 2.325 33 I HA 0.320 4.490 4.170 -0.000 0.000 0.291 33 I C 0.511 176.666 176.117 0.064 0.000 1.019 33 I CA -1.108 60.188 61.300 -0.007 0.000 1.302 33 I CB 1.283 39.321 38.000 0.062 0.000 1.401 33 I HN -0.092 nan 8.210 nan 0.000 0.485 34 K N 5.269 125.694 120.400 0.042 0.000 2.350 34 K HA 0.334 4.654 4.320 -0.000 0.000 0.279 34 K C -0.607 176.005 176.600 0.019 0.000 1.027 34 K CA -0.337 55.971 56.287 0.034 0.000 0.969 34 K CB 1.415 33.923 32.500 0.014 0.000 0.954 34 K HN 0.283 nan 8.250 nan 0.000 0.474 35 V N 3.355 123.268 119.914 -0.001 0.000 2.378 35 V HA 0.202 4.322 4.120 -0.000 0.000 0.288 35 V C -0.175 175.884 176.094 -0.058 0.000 1.016 35 V CA -0.727 61.513 62.300 -0.100 0.000 0.840 35 V CB 1.731 33.421 31.823 -0.222 0.000 0.994 35 V HN 0.670 nan 8.190 nan 0.000 0.431 36 T N 4.747 119.271 114.554 -0.050 0.000 2.758 36 T HA 0.518 4.868 4.350 -0.000 0.000 0.285 36 T C -0.199 174.511 174.700 0.018 0.000 0.981 36 T CA -0.330 61.768 62.100 -0.003 0.000 0.965 36 T CB 1.467 70.343 68.868 0.012 0.000 0.927 36 T HN 0.321 nan 8.240 nan 0.000 0.448 37 V N 4.496 124.434 119.914 0.041 0.000 2.394 37 V HA 0.426 4.546 4.120 -0.000 0.000 0.282 37 V C 0.151 176.287 176.094 0.071 0.000 1.031 37 V CA -0.668 61.677 62.300 0.074 0.000 0.881 37 V CB 1.245 33.120 31.823 0.086 0.000 0.982 37 V HN 0.845 nan 8.190 nan 0.000 0.451 38 E N 3.288 123.545 120.200 0.095 0.000 2.277 38 E HA 0.530 4.880 4.350 -0.000 0.000 0.266 38 E C -0.909 175.616 176.600 -0.126 0.000 0.901 38 E CA -0.742 55.618 56.400 -0.067 0.000 0.782 38 E CB 2.019 31.685 29.700 -0.057 0.000 1.228 38 E HN 0.896 nan 8.360 nan 0.000 0.424 39 H N -0.253 118.604 119.070 -0.356 0.000 2.379 39 H HA 0.361 4.917 4.556 -0.000 0.000 0.229 39 H C -2.744 172.362 175.328 -0.370 0.000 1.423 39 H CA -2.318 53.512 56.048 -0.362 0.000 1.375 39 H CB -0.451 29.016 29.762 -0.492 0.000 1.592 39 H HN 0.175 nan 8.280 nan 0.000 0.507 40 P HA 0.020 nan 4.420 nan 0.000 0.269 40 P C 0.249 177.351 177.300 -0.330 0.000 1.215 40 P CA 0.013 62.786 63.100 -0.546 0.000 0.780 40 P CB 1.037 32.195 31.700 -0.904 0.000 0.898 41 D N 2.067 122.317 120.400 -0.250 0.000 2.414 41 D HA 0.005 4.644 4.640 -0.000 0.000 0.242 41 D C 0.519 176.721 176.300 -0.163 0.000 1.129 41 D CA 0.191 54.099 54.000 -0.153 0.000 0.885 41 D CB 0.200 40.928 40.800 -0.120 0.000 1.198 41 D HN 0.358 nan 8.370 nan 0.000 0.437 42 K N 0.515 120.853 120.400 -0.102 0.000 3.035 42 K HA -0.232 4.088 4.320 -0.000 0.000 0.262 42 K C 1.269 177.771 176.600 -0.164 0.000 1.024 42 K CA 0.123 56.344 56.287 -0.110 0.000 0.748 42 K CB -1.582 30.866 32.500 -0.087 0.000 1.247 42 K HN 0.382 nan 8.250 nan 0.000 0.482 43 L N -0.297 120.817 121.223 -0.182 0.000 2.191 43 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 43 L C 2.303 179.122 176.870 -0.085 0.000 1.103 43 L CA 2.032 56.770 54.840 -0.169 0.000 0.769 43 L CB -0.426 41.560 42.059 -0.122 0.000 0.908 43 L HN 0.318 nan 8.230 nan 0.000 0.438 44 E N 0.863 120.819 120.200 -0.406 0.000 2.274 44 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 44 E C 1.559 178.042 176.600 -0.195 0.000 0.996 44 E CA 1.444 57.504 56.400 -0.567 0.000 0.840 44 E CB -0.303 28.427 29.700 -1.617 0.000 0.772 44 E HN 0.815 nan 8.360 nan 0.000 0.491 45 E N 0.736 120.853 120.200 -0.138 0.000 2.140 45 E HA 0.030 4.380 4.350 -0.000 0.000 0.191 45 E C 2.010 178.611 176.600 0.002 0.000 0.973 45 E CA 0.319 56.705 56.400 -0.023 0.000 0.829 45 E CB 0.173 29.866 29.700 -0.012 0.000 0.781 45 E HN 0.190 nan 8.360 nan 0.000 0.466 46 K N 0.441 120.846 120.400 0.008 0.000 2.097 46 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 46 K C 1.897 178.591 176.600 0.156 0.000 1.050 46 K CA 0.936 57.263 56.287 0.065 0.000 0.938 46 K CB -0.164 32.353 32.500 0.028 0.000 0.718 46 K HN 0.033 nan 8.250 nan 0.000 0.442 47 F N 3.074 123.066 119.950 0.070 0.000 2.069 47 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 47 F C -1.157 174.486 175.800 -0.261 0.000 1.113 47 F CA 1.127 59.063 58.000 -0.107 0.000 1.214 47 F CB -0.922 37.875 39.000 -0.337 0.000 0.978 47 F HN -0.017 nan 8.300 nan 0.000 0.474 48 P HA -0.172 nan 4.420 nan 0.000 0.222 48 P C 1.082 178.223 177.300 -0.264 0.000 1.147 48 P CA 1.651 64.552 63.100 -0.331 0.000 0.790 48 P CB -0.209 31.481 31.700 -0.017 0.000 0.780 49 Q N -0.167 119.523 119.800 -0.184 0.000 2.062 49 Q HA -0.061 4.279 4.340 -0.000 0.000 0.196 49 Q C 2.289 178.180 176.000 -0.180 0.000 0.967 49 Q CA 1.703 57.420 55.803 -0.143 0.000 0.832 49 Q CB -0.538 28.146 28.738 -0.090 0.000 0.899 49 Q HN 0.222 nan 8.270 nan 0.000 0.442 50 V N -2.421 117.371 119.914 -0.203 0.000 2.535 50 V HA 0.109 4.229 4.120 -0.000 0.000 0.246 50 V C 2.088 177.991 176.094 -0.320 0.000 1.045 50 V CA 1.274 63.455 62.300 -0.197 0.000 1.058 50 V CB -0.847 30.919 31.823 -0.095 0.000 0.689 50 V HN 0.227 nan 8.190 nan 0.000 0.461 51 A N 0.814 123.296 122.820 -0.562 0.000 2.015 51 A HA 0.219 4.539 4.320 -0.000 0.000 0.219 51 A C 2.391 179.736 177.584 -0.398 0.000 1.163 51 A CA 1.749 53.398 52.037 -0.646 0.000 0.646 51 A CB -0.861 17.341 19.000 -1.329 0.000 0.806 51 A HN 0.937 nan 8.150 nan 0.000 0.448 52 A N -0.260 122.362 122.820 -0.331 0.000 2.067 52 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 52 A C 2.098 179.596 177.584 -0.143 0.000 1.158 52 A CA 2.029 53.947 52.037 -0.199 0.000 0.661 52 A CB -0.870 18.038 19.000 -0.153 0.000 0.801 52 A HN 0.770 nan 8.150 nan 0.000 0.452 53 T N -5.313 109.150 114.554 -0.152 0.000 3.092 53 T HA 0.441 4.791 4.350 -0.000 0.000 0.258 53 T C 1.149 175.784 174.700 -0.107 0.000 1.031 53 T CA 0.962 62.997 62.100 -0.108 0.000 0.925 53 T CB 0.165 68.977 68.868 -0.093 0.000 1.036 53 T HN 1.627 nan 8.240 nan 0.000 0.544 54 G N 1.064 109.780 108.800 -0.139 0.000 2.132 54 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.234 54 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.234 54 G C -0.418 174.402 174.900 -0.133 0.000 0.989 54 G CA 0.073 45.099 45.100 -0.123 0.000 0.676 54 G HN 0.595 nan 8.290 nan 0.000 0.522 55 D N -0.347 119.953 120.400 -0.167 0.000 2.627 55 D HA 0.743 5.383 4.640 -0.000 0.000 0.259 55 D C 1.013 177.166 176.300 -0.245 0.000 1.164 55 D CA 0.818 54.721 54.000 -0.161 0.000 1.087 55 D CB 0.783 41.512 40.800 -0.118 0.000 1.217 55 D HN 1.398 nan 8.370 nan 0.000 0.630 56 G N -0.185 108.465 108.800 -0.250 0.000 2.526 56 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.250 56 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.250 56 G C -2.862 171.730 174.900 -0.514 0.000 1.289 56 G CA -0.801 44.022 45.100 -0.462 0.000 0.947 56 G HN 0.468 nan 8.290 nan 0.000 0.517 57 P HA 0.325 nan 4.420 nan 0.000 0.276 57 P C 0.034 177.154 177.300 -0.300 0.000 1.252 57 P CA -0.188 62.515 63.100 -0.662 0.000 0.802 57 P CB 0.925 31.977 31.700 -1.079 0.000 1.035 58 D N 0.264 120.546 120.400 -0.196 0.000 2.149 58 D HA 0.020 4.660 4.640 -0.000 0.000 0.201 58 D C 0.654 176.904 176.300 -0.082 0.000 0.972 58 D CA 1.453 55.387 54.000 -0.111 0.000 0.835 58 D CB 0.300 41.043 40.800 -0.096 0.000 0.966 58 D HN 0.360 nan 8.370 nan 0.000 0.476 59 I N 0.925 121.438 120.570 -0.094 0.000 2.533 59 I HA 0.336 4.506 4.170 -0.000 0.000 0.290 59 I C -0.670 175.430 176.117 -0.029 0.000 1.056 59 I CA -0.752 60.521 61.300 -0.046 0.000 1.057 59 I CB 3.218 41.231 38.000 0.021 0.000 1.240 59 I HN -0.200 nan 8.210 nan 0.000 0.423 60 I N 5.385 125.894 120.570 -0.100 0.000 2.406 60 I HA 0.491 4.661 4.170 -0.000 0.000 0.290 60 I C -1.481 174.722 176.117 0.143 0.000 0.999 60 I CA -0.446 60.827 61.300 -0.046 0.000 1.124 60 I CB 1.289 38.916 38.000 -0.621 0.000 1.289 60 I HN 0.336 nan 8.210 nan 0.000 0.441 61 F N 7.868 127.965 119.950 0.246 0.000 2.420 61 F HA 0.536 5.062 4.527 -0.000 0.000 0.342 61 F C -0.339 175.740 175.800 0.465 0.000 1.113 61 F CA -0.106 58.085 58.000 0.319 0.000 1.059 61 F CB 1.244 40.365 39.000 0.201 0.000 1.128 61 F HN 0.455 nan 8.300 nan 0.000 0.475 62 W N 1.778 123.332 121.300 0.423 0.000 2.989 62 W HA 0.631 5.291 4.660 -0.000 0.000 0.344 62 W C -1.268 175.428 176.519 0.296 0.000 1.233 62 W CA -1.278 56.232 57.345 0.275 0.000 1.187 62 W CB 1.525 31.079 29.460 0.156 0.000 1.443 62 W HN 0.637 nan 8.180 nan 0.000 0.573 63 A N 2.082 124.785 122.820 -0.195 0.000 2.466 63 A HA 0.014 4.334 4.320 -0.000 0.000 0.238 63 A C 1.341 179.121 177.584 0.327 0.000 1.074 63 A CA 0.886 52.925 52.037 0.005 0.000 0.774 63 A CB -0.151 18.708 19.000 -0.235 0.000 1.015 63 A HN 0.768 nan 8.150 nan 0.000 0.498 64 H N 1.073 120.252 119.070 0.182 0.000 2.521 64 H HA -0.135 4.421 4.556 0.000 0.000 0.286 64 H C 0.968 176.456 175.328 0.267 0.000 1.034 64 H CA 1.350 57.515 56.048 0.195 0.000 1.278 64 H CB -0.378 29.393 29.762 0.015 0.000 1.386 64 H HN 0.828 nan 8.280 nan 0.000 0.567 65 D N 1.162 121.345 120.400 -0.362 0.000 2.218 65 D HA -0.176 4.464 4.640 -0.000 0.000 0.204 65 D C 1.894 178.140 176.300 -0.090 0.000 0.976 65 D CA 0.400 54.248 54.000 -0.254 0.000 0.853 65 D CB -0.306 40.392 40.800 -0.170 0.000 0.939 65 D HN 0.212 nan 8.370 nan 0.000 0.481 66 R N -0.594 119.874 120.500 -0.054 0.000 2.236 66 R HA 0.065 4.405 4.340 -0.000 0.000 0.208 66 R C 1.866 177.677 176.300 -0.815 0.000 1.036 66 R CA 0.090 55.902 56.100 -0.481 0.000 1.001 66 R CB -0.488 29.387 30.300 -0.708 0.000 0.896 66 R HN 0.277 nan 8.270 nan 0.000 0.464 67 F N -0.451 119.263 119.950 -0.393 0.000 2.367 67 F HA 0.056 4.583 4.527 0.000 0.000 0.298 67 F C 2.424 178.034 175.800 -0.317 0.000 1.094 67 F CA 1.053 58.882 58.000 -0.285 0.000 1.409 67 F CB -0.582 38.397 39.000 -0.034 0.000 1.064 67 F HN 0.095 nan 8.300 nan 0.000 0.528 68 G N -0.028 108.633 108.800 -0.231 0.000 2.440 68 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 68 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 68 G C 2.065 176.585 174.900 -0.634 0.000 1.154 68 G CA 0.902 45.595 45.100 -0.679 0.000 0.767 68 G HN 0.481 nan 8.290 nan 0.000 0.552 69 G N -0.136 108.432 108.800 -0.387 0.000 2.418 69 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 69 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 69 G C 1.631 176.480 174.900 -0.085 0.000 1.158 69 G CA 1.024 45.984 45.100 -0.233 0.000 0.771 69 G HN 0.382 nan 8.290 nan 0.000 0.545 70 Y N 1.310 121.532 120.300 -0.130 0.000 2.181 70 Y HA 0.059 4.609 4.550 -0.000 0.000 0.288 70 Y C 3.107 178.987 175.900 -0.033 0.000 1.146 70 Y CA 0.117 58.189 58.100 -0.047 0.000 1.164 70 Y CB -1.154 37.291 38.460 -0.025 0.000 0.982 70 Y HN 0.269 nan 8.280 nan 0.000 0.515 71 A N -0.263 122.589 122.820 0.054 0.000 1.898 71 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 71 A C 2.206 179.813 177.584 0.039 0.000 1.181 71 A CA 1.788 53.843 52.037 0.031 0.000 0.620 71 A CB -0.740 18.230 19.000 -0.051 0.000 0.819 71 A HN 0.390 nan 8.150 nan 0.000 0.442 72 Q N 0.379 120.143 119.800 -0.061 0.000 2.170 72 Q HA -0.076 4.264 4.340 -0.000 0.000 0.203 72 Q C 1.780 177.829 176.000 0.083 0.000 0.976 72 Q CA 2.033 57.886 55.803 0.085 0.000 0.858 72 Q CB -0.405 28.369 28.738 0.061 0.000 0.907 72 Q HN 0.523 nan 8.270 nan 0.000 0.433 73 S N -0.995 114.743 115.700 0.063 0.000 2.593 73 S HA 0.251 4.721 4.470 -0.000 0.000 0.217 73 S C 0.944 175.573 174.600 0.048 0.000 0.966 73 S CA 0.463 58.698 58.200 0.057 0.000 0.914 73 S CB 0.109 63.341 63.200 0.054 0.000 0.776 73 S HN 0.666 nan 8.310 nan 0.000 0.523 74 G N 1.502 110.342 108.800 0.067 0.000 2.176 74 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.252 74 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.252 74 G C 0.460 175.386 174.900 0.042 0.000 1.024 74 G CA 0.330 45.465 45.100 0.060 0.000 0.755 74 G HN 0.531 nan 8.290 nan 0.000 0.507 75 L N -1.178 120.081 121.223 0.060 0.000 2.567 75 L HA 0.399 4.739 4.340 -0.000 0.000 0.225 75 L C 1.214 178.158 176.870 0.123 0.000 1.119 75 L CA 0.302 55.157 54.840 0.025 0.000 0.871 75 L CB 0.029 42.061 42.059 -0.044 0.000 1.036 75 L HN 0.216 nan 8.230 nan 0.000 0.459 76 L N -0.032 121.284 121.223 0.154 0.000 2.346 76 L HA 0.624 4.964 4.340 -0.000 0.000 0.274 76 L C 0.200 177.141 176.870 0.119 0.000 1.007 76 L CA -0.646 54.298 54.840 0.174 0.000 0.818 76 L CB 1.853 44.053 42.059 0.234 0.000 1.284 76 L HN -0.115 nan 8.230 nan 0.000 0.424 77 A N 1.826 124.707 122.820 0.101 0.000 2.388 77 A HA 0.228 4.548 4.320 -0.000 0.000 0.257 77 A C -0.008 177.617 177.584 0.068 0.000 1.095 77 A CA -0.282 51.799 52.037 0.073 0.000 0.791 77 A CB 0.385 19.422 19.000 0.062 0.000 1.029 77 A HN 0.790 nan 8.150 nan 0.000 0.489 78 E N 1.877 122.108 120.200 0.051 0.000 2.344 78 E HA 0.307 4.657 4.350 -0.000 0.000 0.270 78 E C -0.027 176.574 176.600 0.003 0.000 1.021 78 E CA -0.309 56.109 56.400 0.030 0.000 0.887 78 E CB 0.271 29.986 29.700 0.025 0.000 0.997 78 E HN 0.566 nan 8.360 nan 0.000 0.429 79 I N 1.505 122.046 120.570 -0.047 0.000 2.713 79 I HA 0.312 4.482 4.170 -0.000 0.000 0.300 79 I C 0.376 176.440 176.117 -0.089 0.000 1.009 79 I CA -0.592 60.655 61.300 -0.089 0.000 1.305 79 I CB 1.565 39.368 38.000 -0.329 0.000 1.430 79 I HN 0.461 nan 8.210 nan 0.000 0.546 80 T N 0.263 114.793 114.554 -0.040 0.000 3.483 80 T HA 0.421 4.771 4.350 -0.000 0.000 0.258 80 T C -2.265 172.419 174.700 -0.027 0.000 1.013 80 T CA -1.217 60.861 62.100 -0.036 0.000 1.078 80 T CB -0.553 68.312 68.868 -0.005 0.000 1.111 80 T HN 0.570 nan 8.240 nan 0.000 0.538 81 P HA 0.234 nan 4.420 nan 0.000 0.271 81 P C -0.233 177.068 177.300 0.001 0.000 1.216 81 P CA 0.009 63.110 63.100 0.002 0.000 0.776 81 P CB 0.801 32.571 31.700 0.115 0.000 0.881 82 D N 1.775 122.210 120.400 0.058 0.000 2.398 82 D HA 0.048 4.687 4.640 -0.000 0.000 0.247 82 D C 1.076 177.404 176.300 0.046 0.000 1.227 82 D CA -0.411 53.613 54.000 0.040 0.000 0.980 82 D CB 0.544 41.373 40.800 0.048 0.000 1.106 82 D HN 0.040 nan 8.370 nan 0.000 0.493 83 K N 0.256 120.657 120.400 0.002 0.000 2.147 83 K HA -0.027 4.293 4.320 -0.000 0.000 0.205 83 K C 1.874 178.486 176.600 0.019 0.000 1.049 83 K CA 1.637 57.908 56.287 -0.026 0.000 0.936 83 K CB -0.865 31.614 32.500 -0.034 0.000 0.722 83 K HN 0.498 nan 8.250 nan 0.000 0.446 84 A N -0.300 122.553 122.820 0.054 0.000 1.933 84 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 84 A C 2.184 179.827 177.584 0.098 0.000 1.175 84 A CA 1.469 53.544 52.037 0.063 0.000 0.628 84 A CB -0.819 18.221 19.000 0.066 0.000 0.814 84 A HN 0.445 nan 8.150 nan 0.000 0.444 85 F N 0.599 120.577 119.950 0.047 0.000 2.113 85 F HA -0.163 4.364 4.527 0.000 0.000 0.297 85 F C 2.520 178.432 175.800 0.187 0.000 1.103 85 F CA 2.088 60.156 58.000 0.112 0.000 1.248 85 F CB -0.347 38.741 39.000 0.147 0.000 0.999 85 F HN 0.296 nan 8.300 nan 0.000 0.475 86 Q N -0.112 119.815 119.800 0.212 0.000 2.135 86 Q HA -0.237 4.103 4.340 -0.000 0.000 0.204 86 Q C 1.573 177.680 176.000 0.179 0.000 0.981 86 Q CA 1.731 57.597 55.803 0.104 0.000 0.856 86 Q CB -0.356 28.136 28.738 -0.410 0.000 0.902 86 Q HN 0.391 nan 8.270 nan 0.000 0.425 87 D N 0.339 120.760 120.400 0.035 0.000 2.350 87 D HA -0.088 4.552 4.640 -0.000 0.000 0.216 87 D C 1.089 177.360 176.300 -0.048 0.000 0.968 87 D CA 0.927 54.934 54.000 0.012 0.000 0.894 87 D CB 0.043 40.839 40.800 -0.007 0.000 0.909 87 D HN 0.215 nan 8.370 nan 0.000 0.520 88 K N -0.475 119.849 120.400 -0.127 0.000 2.418 88 K HA 0.044 4.364 4.320 -0.000 0.000 0.195 88 K C 0.118 176.549 176.600 -0.282 0.000 1.035 88 K CA 0.136 56.282 56.287 -0.235 0.000 1.003 88 K CB 0.549 32.834 32.500 -0.359 0.000 0.793 88 K HN 0.015 nan 8.250 nan 0.000 0.494 89 L N -0.038 121.080 121.223 -0.176 0.000 2.330 89 L HA 0.287 4.627 4.340 -0.000 0.000 0.271 89 L C -0.379 176.370 176.870 -0.201 0.000 1.013 89 L CA -0.902 53.773 54.840 -0.276 0.000 0.816 89 L CB 0.568 42.374 42.059 -0.422 0.000 1.287 89 L HN -0.079 nan 8.230 nan 0.000 0.435 90 Y N 2.344 122.571 120.300 -0.121 0.000 2.511 90 Y HA 0.073 4.623 4.550 -0.000 0.000 0.332 90 Y C -1.328 174.576 175.900 0.008 0.000 1.177 90 Y CA -1.072 57.021 58.100 -0.011 0.000 1.422 90 Y CB -0.049 38.431 38.460 0.032 0.000 1.271 90 Y HN 0.534 nan 8.280 nan 0.000 0.550 91 P HA -0.242 nan 4.420 nan 0.000 0.216 91 P C 1.488 178.950 177.300 0.270 0.000 1.153 91 P CA 1.716 65.016 63.100 0.334 0.000 0.858 91 P CB -0.148 31.719 31.700 0.279 0.000 0.789 92 F N -0.212 119.820 119.950 0.138 0.000 2.333 92 F HA -0.136 4.391 4.527 -0.000 0.000 0.300 92 F C 1.889 177.700 175.800 0.018 0.000 1.083 92 F CA 1.503 59.543 58.000 0.067 0.000 1.395 92 F CB -2.014 37.001 39.000 0.025 0.000 1.056 92 F HN -0.087 nan 8.300 nan 0.000 0.529 93 T N -2.912 111.172 114.554 -0.783 0.000 2.857 93 T HA -0.184 4.166 4.350 -0.000 0.000 0.266 93 T C 1.594 176.064 174.700 -0.383 0.000 1.048 93 T CA 1.108 62.775 62.100 -0.721 0.000 1.139 93 T CB -1.214 67.190 68.868 -0.773 0.000 0.874 93 T HN 0.589 nan 8.240 nan 0.000 0.455 94 W N 2.065 123.270 121.300 -0.158 0.000 2.363 94 W HA 0.021 4.680 4.660 -0.000 0.000 0.296 94 W C 2.120 178.599 176.519 -0.067 0.000 1.212 94 W CA 0.395 57.685 57.345 -0.091 0.000 1.260 94 W CB -0.167 29.267 29.460 -0.044 0.000 1.131 94 W HN 0.234 nan 8.180 nan 0.000 0.530 95 D N 0.058 120.563 120.400 0.176 0.000 2.178 95 D HA -0.160 4.480 4.640 -0.000 0.000 0.201 95 D C 2.177 178.520 176.300 0.071 0.000 0.980 95 D CA 1.688 55.766 54.000 0.130 0.000 0.842 95 D CB -0.800 40.081 40.800 0.134 0.000 0.948 95 D HN 0.139 nan 8.370 nan 0.000 0.472 96 A N 0.494 123.283 122.820 -0.052 0.000 2.067 96 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 96 A C 1.983 179.544 177.584 -0.039 0.000 1.158 96 A CA 1.351 53.270 52.037 -0.196 0.000 0.661 96 A CB -0.189 18.433 19.000 -0.630 0.000 0.801 96 A HN 0.240 nan 8.150 nan 0.000 0.452 97 V N -3.347 116.570 119.914 0.006 0.000 3.121 97 V HA 0.399 4.519 4.120 -0.000 0.000 0.344 97 V C 0.374 176.545 176.094 0.127 0.000 1.390 97 V CA -0.379 61.946 62.300 0.042 0.000 1.177 97 V CB -0.778 31.011 31.823 -0.056 0.000 1.163 97 V HN 0.381 nan 8.190 nan 0.000 0.484 98 R N 0.836 121.431 120.500 0.157 0.000 2.265 98 R HA 0.529 4.869 4.340 -0.000 0.000 0.319 98 R C -1.729 174.710 176.300 0.232 0.000 1.006 98 R CA -0.683 55.514 56.100 0.162 0.000 0.880 98 R CB 1.230 31.602 30.300 0.121 0.000 1.077 98 R HN 0.487 nan 8.270 nan 0.000 0.454 99 Y N 4.873 125.221 120.300 0.079 0.000 2.354 99 Y HA 0.200 4.750 4.550 -0.000 0.000 0.330 99 Y C -0.653 175.285 175.900 0.064 0.000 1.011 99 Y CA -0.956 57.194 58.100 0.083 0.000 1.099 99 Y CB 1.275 39.793 38.460 0.096 0.000 1.179 99 Y HN 0.831 nan 8.280 nan 0.000 0.442 100 N N 4.162 122.561 118.700 -0.503 0.000 2.716 100 N HA -0.207 4.533 4.740 -0.000 0.000 0.250 100 N C 0.923 176.367 175.510 -0.111 0.000 1.033 100 N CA 1.847 54.697 53.050 -0.334 0.000 0.727 100 N CB -1.159 37.111 38.487 -0.363 0.000 0.950 100 N HN 1.409 nan 8.380 nan 0.000 0.541 101 G N -1.788 106.977 108.800 -0.059 0.000 2.179 101 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.260 101 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.260 101 G C -0.012 174.888 174.900 0.000 0.000 0.977 101 G CA 0.829 45.916 45.100 -0.021 0.000 0.641 101 G HN 0.532 nan 8.290 nan 0.000 0.533 102 K N 0.056 120.474 120.400 0.030 0.000 2.207 102 K HA 0.655 4.975 4.320 -0.000 0.000 0.255 102 K C 0.232 176.869 176.600 0.060 0.000 0.941 102 K CA -0.926 55.384 56.287 0.038 0.000 0.825 102 K CB 1.905 34.441 32.500 0.059 0.000 1.119 102 K HN 0.121 nan 8.250 nan 0.000 0.430 103 L N 4.322 125.552 121.223 0.012 0.000 2.361 103 L HA 0.125 4.465 4.340 -0.000 0.000 0.278 103 L C 0.741 177.622 176.870 0.019 0.000 1.113 103 L CA -0.137 54.714 54.840 0.018 0.000 0.849 103 L CB 0.059 42.078 42.059 -0.066 0.000 1.155 103 L HN 0.679 nan 8.230 nan 0.000 0.452 104 I N 0.274 120.876 120.570 0.052 0.000 4.147 104 I HA 0.658 4.828 4.170 -0.000 0.000 0.329 104 I C 0.281 176.404 176.117 0.009 0.000 1.424 104 I CA -0.241 61.100 61.300 0.068 0.000 1.127 104 I CB 0.435 38.531 38.000 0.161 0.000 1.128 104 I HN 0.430 nan 8.210 nan 0.000 0.417 105 A N -0.335 122.421 122.820 -0.105 0.000 2.597 105 A HA 0.702 5.022 4.320 -0.000 0.000 0.292 105 A C -1.990 175.462 177.584 -0.219 0.000 1.057 105 A CA -0.544 51.362 52.037 -0.219 0.000 0.674 105 A CB 0.397 19.055 19.000 -0.570 0.000 1.278 105 A HN 0.100 nan 8.150 nan 0.000 0.416 106 Y N 1.156 121.381 120.300 -0.124 0.000 2.327 106 Y HA 0.462 5.012 4.550 -0.000 0.000 0.336 106 Y C -2.061 173.669 175.900 -0.284 0.000 1.035 106 Y CA -1.777 56.253 58.100 -0.116 0.000 1.165 106 Y CB 1.055 39.486 38.460 -0.048 0.000 1.181 106 Y HN 0.399 nan 8.280 nan 0.000 0.494 107 P HA 0.110 nan 4.420 nan 0.000 0.275 107 P C -0.025 177.160 177.300 -0.193 0.000 1.227 107 P CA 0.071 62.974 63.100 -0.328 0.000 0.781 107 P CB 1.335 32.702 31.700 -0.555 0.000 0.906 108 I N 0.650 121.165 120.570 -0.092 0.000 3.443 108 I HA 0.387 4.557 4.170 -0.000 0.000 0.277 108 I C 0.894 177.017 176.117 0.010 0.000 1.169 108 I CA 0.286 61.591 61.300 0.008 0.000 1.419 108 I CB -0.788 37.294 38.000 0.136 0.000 1.331 108 I HN 0.329 nan 8.210 nan 0.000 0.458 109 A N 0.553 123.377 122.820 0.005 0.000 2.605 109 A HA 0.650 4.970 4.320 -0.000 0.000 0.294 109 A C -1.366 176.239 177.584 0.035 0.000 1.062 109 A CA -0.372 51.685 52.037 0.035 0.000 0.682 109 A CB 1.463 20.508 19.000 0.074 0.000 1.278 109 A HN -0.170 nan 8.150 nan 0.000 0.410 110 V N 1.748 121.699 119.914 0.062 0.000 2.394 110 V HA 0.466 4.586 4.120 -0.000 0.000 0.282 110 V C -0.125 176.053 176.094 0.140 0.000 1.031 110 V CA -0.222 62.143 62.300 0.108 0.000 0.881 110 V CB 1.118 33.040 31.823 0.164 0.000 0.982 110 V HN 0.887 nan 8.190 nan 0.000 0.451 111 E N 3.033 123.341 120.200 0.181 0.000 2.212 111 E HA 0.848 5.198 4.350 -0.000 0.000 0.268 111 E C -0.533 176.212 176.600 0.241 0.000 0.902 111 E CA -0.664 55.866 56.400 0.217 0.000 0.779 111 E CB 2.443 32.340 29.700 0.329 0.000 1.172 111 E HN 0.831 nan 8.360 nan 0.000 0.409 112 A N 2.493 125.419 122.820 0.178 0.000 2.594 112 A HA 0.520 4.840 4.320 -0.000 0.000 0.295 112 A C -1.179 176.441 177.584 0.059 0.000 1.071 112 A CA -0.754 51.377 52.037 0.157 0.000 0.685 112 A CB 0.884 19.957 19.000 0.122 0.000 1.285 112 A HN 0.546 nan 8.150 nan 0.000 0.405 113 L N 1.373 122.596 121.223 0.001 0.000 2.439 113 L HA 0.464 4.804 4.340 -0.000 0.000 0.269 113 L C 0.503 177.359 176.870 -0.023 0.000 1.179 113 L CA 0.092 54.895 54.840 -0.060 0.000 0.828 113 L CB 1.261 43.234 42.059 -0.143 0.000 1.106 113 L HN 0.739 nan 8.230 nan 0.000 0.467 114 S N 1.728 117.422 115.700 -0.011 0.000 2.667 114 S HA 0.542 5.012 4.470 -0.000 0.000 0.292 114 S C -0.971 173.614 174.600 -0.024 0.000 1.126 114 S CA -0.658 57.549 58.200 0.011 0.000 0.881 114 S CB 2.031 65.279 63.200 0.081 0.000 1.132 114 S HN 0.365 nan 8.310 nan 0.000 0.492 115 L N 2.287 123.486 121.223 -0.039 0.000 2.319 115 L HA 0.533 4.873 4.340 -0.000 0.000 0.280 115 L C -1.221 175.662 176.870 0.021 0.000 1.099 115 L CA 0.305 55.106 54.840 -0.066 0.000 0.828 115 L CB -0.206 41.782 42.059 -0.117 0.000 1.150 115 L HN 0.519 nan 8.230 nan 0.000 0.442 116 I N 6.514 127.055 120.570 -0.047 0.000 2.378 116 I HA 0.364 4.534 4.170 -0.000 0.000 0.291 116 I C -0.991 175.121 176.117 -0.008 0.000 0.992 116 I CA -0.781 60.475 61.300 -0.074 0.000 1.154 116 I CB 1.199 39.004 38.000 -0.325 0.000 1.315 116 I HN 0.633 nan 8.210 nan 0.000 0.448 117 Y N 4.365 124.710 120.300 0.074 0.000 2.545 117 Y HA 0.529 5.079 4.550 -0.000 0.000 0.348 117 Y C -0.827 175.320 175.900 0.413 0.000 1.002 117 Y CA -1.519 56.724 58.100 0.237 0.000 1.039 117 Y CB 0.946 39.459 38.460 0.089 0.000 1.271 117 Y HN 0.447 nan 8.280 nan 0.000 0.467 118 N N 2.578 121.516 118.700 0.398 0.000 2.420 118 N HA 0.158 4.898 4.740 -0.000 0.000 0.249 118 N C 0.009 175.574 175.510 0.091 0.000 1.033 118 N CA -0.156 52.962 53.050 0.112 0.000 0.944 118 N CB 1.093 39.548 38.487 -0.054 0.000 1.113 118 N HN 0.898 nan 8.380 nan 0.000 0.502 119 K N 1.800 122.174 120.400 -0.043 0.000 2.362 119 K HA -0.051 4.269 4.320 -0.000 0.000 0.200 119 K C 0.133 176.760 176.600 0.044 0.000 1.046 119 K CA 0.815 57.117 56.287 0.024 0.000 0.952 119 K CB 0.429 32.880 32.500 -0.081 0.000 0.753 119 K HN 0.502 nan 8.250 nan 0.000 0.466 120 D N 0.521 120.926 120.400 0.007 0.000 2.289 120 D HA -0.020 4.620 4.640 -0.000 0.000 0.207 120 D C 1.618 177.927 176.300 0.015 0.000 0.966 120 D CA 0.770 54.771 54.000 0.001 0.000 0.868 120 D CB 0.258 41.043 40.800 -0.024 0.000 0.943 120 D HN 0.154 nan 8.370 nan 0.000 0.514 121 L N -0.789 120.454 121.223 0.033 0.000 2.408 121 L HA 0.183 4.523 4.340 -0.000 0.000 0.215 121 L C 0.207 177.114 176.870 0.063 0.000 1.081 121 L CA 0.192 55.056 54.840 0.039 0.000 0.840 121 L CB 0.800 42.880 42.059 0.034 0.000 1.002 121 L HN -0.093 nan 8.230 nan 0.000 0.468 122 L N 0.522 121.811 121.223 0.110 0.000 2.492 122 L HA 0.318 4.657 4.340 -0.000 0.000 0.259 122 L C -1.940 175.028 176.870 0.164 0.000 1.229 122 L CA -0.968 53.941 54.840 0.116 0.000 0.903 122 L CB 1.359 43.510 42.059 0.153 0.000 1.114 122 L HN -0.282 nan 8.230 nan 0.000 0.494 123 P HA -0.058 nan 4.420 nan 0.000 0.216 123 P C -0.254 177.080 177.300 0.058 0.000 1.153 123 P CA 0.907 64.071 63.100 0.107 0.000 0.844 123 P CB 0.207 31.935 31.700 0.047 0.000 0.787 124 N N 1.489 120.169 118.700 -0.033 0.000 2.501 124 N HA 0.253 4.993 4.740 -0.000 0.000 0.245 124 N C -2.443 172.933 175.510 -0.223 0.000 0.974 124 N CA -1.644 51.332 53.050 -0.123 0.000 0.941 124 N CB 0.916 39.353 38.487 -0.083 0.000 1.122 124 N HN 0.164 nan 8.380 nan 0.000 0.507 125 P HA 0.142 nan 4.420 nan 0.000 0.272 125 P C -2.650 174.472 177.300 -0.297 0.000 1.223 125 P CA -1.040 61.760 63.100 -0.499 0.000 0.784 125 P CB 0.050 31.193 31.700 -0.928 0.000 0.923 126 P HA 0.115 nan 4.420 nan 0.000 0.271 126 P C 0.448 177.630 177.300 -0.196 0.000 1.216 126 P CA -0.077 62.915 63.100 -0.179 0.000 0.771 126 P CB 0.801 32.403 31.700 -0.162 0.000 0.864 127 K N 0.580 120.893 120.400 -0.145 0.000 2.305 127 K HA 0.067 4.387 4.320 -0.000 0.000 0.199 127 K C 1.071 177.603 176.600 -0.114 0.000 1.047 127 K CA 0.893 57.103 56.287 -0.128 0.000 0.976 127 K CB -0.162 32.284 32.500 -0.091 0.000 0.765 127 K HN 0.660 nan 8.250 nan 0.000 0.474 128 T N -4.184 110.311 114.554 -0.099 0.000 2.893 128 T HA 0.288 4.638 4.350 -0.000 0.000 0.291 128 T C 0.577 175.252 174.700 -0.042 0.000 1.028 128 T CA -0.882 61.194 62.100 -0.040 0.000 0.995 128 T CB 1.093 69.965 68.868 0.006 0.000 1.051 128 T HN 0.112 nan 8.240 nan 0.000 0.470 129 W N 0.846 122.116 121.300 -0.051 0.000 2.363 129 W HA 0.062 4.722 4.660 -0.000 0.000 0.296 129 W C 2.145 178.694 176.519 0.051 0.000 1.212 129 W CA 0.942 58.253 57.345 -0.058 0.000 1.260 129 W CB -0.186 29.093 29.460 -0.303 0.000 1.131 129 W HN 0.817 nan 8.180 nan 0.000 0.530 130 E N 0.140 120.471 120.200 0.219 0.000 2.204 130 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 130 E C 1.835 178.588 176.600 0.255 0.000 0.990 130 E CA 1.654 58.230 56.400 0.295 0.000 0.821 130 E CB -0.417 29.376 29.700 0.155 0.000 0.750 130 E HN 0.512 nan 8.360 nan 0.000 0.477 131 E N 0.322 120.608 120.200 0.143 0.000 2.489 131 E HA -0.027 4.323 4.350 -0.000 0.000 0.193 131 E C 1.629 178.263 176.600 0.057 0.000 1.057 131 E CA 0.144 56.589 56.400 0.076 0.000 0.866 131 E CB -0.065 29.646 29.700 0.020 0.000 0.916 131 E HN 0.292 nan 8.360 nan 0.000 0.500 132 I N 1.510 122.146 120.570 0.110 0.000 2.315 132 I HA -0.116 4.054 4.170 -0.000 0.000 0.248 132 I C -0.566 175.506 176.117 -0.073 0.000 1.117 132 I CA 0.634 61.964 61.300 0.050 0.000 1.404 132 I CB -1.085 36.987 38.000 0.120 0.000 1.071 132 I HN 0.102 nan 8.210 nan 0.000 0.419 133 P HA -0.179 nan 4.420 nan 0.000 0.215 133 P C 1.517 178.646 177.300 -0.286 0.000 1.153 133 P CA 1.808 64.591 63.100 -0.528 0.000 0.853 133 P CB 0.005 31.534 31.700 -0.284 0.000 0.788 134 A N -0.886 121.881 122.820 -0.088 0.000 1.930 134 A HA -0.152 4.167 4.320 -0.000 0.000 0.217 134 A C 2.111 179.679 177.584 -0.026 0.000 1.175 134 A CA 1.261 53.281 52.037 -0.029 0.000 0.627 134 A CB -1.599 17.403 19.000 0.004 0.000 0.815 134 A HN 0.150 nan 8.150 nan 0.000 0.443 135 L N 0.315 121.518 121.223 -0.034 0.000 2.056 135 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 135 L C 1.889 178.754 176.870 -0.008 0.000 1.078 135 L CA 2.727 57.556 54.840 -0.017 0.000 0.749 135 L CB -0.685 41.363 42.059 -0.019 0.000 0.901 135 L HN 0.473 nan 8.230 nan 0.000 0.433 136 D N -0.638 119.741 120.400 -0.035 0.000 2.117 136 D HA -0.271 4.368 4.640 -0.000 0.000 0.197 136 D C 2.268 178.606 176.300 0.063 0.000 0.987 136 D CA 1.515 55.528 54.000 0.020 0.000 0.829 136 D CB -0.052 40.761 40.800 0.021 0.000 0.961 136 D HN 0.334 nan 8.370 nan 0.000 0.460 137 K N 0.192 120.624 120.400 0.053 0.000 2.063 137 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 137 K C 2.027 178.656 176.600 0.048 0.000 1.048 137 K CA 1.474 57.807 56.287 0.076 0.000 0.928 137 K CB -0.014 32.530 32.500 0.074 0.000 0.713 137 K HN 0.219 nan 8.250 nan 0.000 0.442 138 E N 0.373 120.591 120.200 0.031 0.000 2.051 138 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 138 E C 2.105 178.722 176.600 0.027 0.000 0.991 138 E CA 1.400 57.814 56.400 0.024 0.000 0.799 138 E CB -0.080 29.629 29.700 0.016 0.000 0.748 138 E HN 0.309 nan 8.360 nan 0.000 0.449 139 L N 0.857 122.099 121.223 0.032 0.000 2.109 139 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 139 L C 2.393 179.285 176.870 0.036 0.000 1.086 139 L CA 0.778 55.638 54.840 0.034 0.000 0.760 139 L CB -0.222 41.861 42.059 0.040 0.000 0.910 139 L HN -0.008 nan 8.230 nan 0.000 0.437 140 K N 0.308 120.736 120.400 0.047 0.000 2.097 140 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 140 K C 2.113 178.732 176.600 0.032 0.000 1.049 140 K CA 1.420 57.733 56.287 0.044 0.000 0.933 140 K CB -0.348 32.187 32.500 0.059 0.000 0.717 140 K HN 0.280 nan 8.250 nan 0.000 0.442 141 A N 1.498 124.336 122.820 0.030 0.000 2.125 141 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 141 A C 1.599 179.194 177.584 0.017 0.000 1.156 141 A CA 1.289 53.339 52.037 0.022 0.000 0.671 141 A CB -0.130 18.883 19.000 0.021 0.000 0.794 141 A HN 0.238 nan 8.150 nan 0.000 0.459 142 K N -1.502 118.909 120.400 0.018 0.000 2.399 142 K HA 0.297 4.617 4.320 -0.000 0.000 0.204 142 K C 0.796 177.403 176.600 0.011 0.000 1.023 142 K CA 0.372 56.667 56.287 0.013 0.000 1.127 142 K CB 0.266 32.773 32.500 0.012 0.000 0.856 142 K HN 0.552 nan 8.250 nan 0.000 0.514 143 G N 1.984 110.792 108.800 0.014 0.000 2.147 143 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.244 143 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.244 143 G C -0.011 174.897 174.900 0.014 0.000 1.005 143 G CA 0.353 45.461 45.100 0.012 0.000 0.713 143 G HN 0.106 nan 8.290 nan 0.000 0.515 144 K N -0.509 119.903 120.400 0.020 0.000 2.149 144 K HA 0.885 5.205 4.320 -0.000 0.000 0.241 144 K C 0.296 176.921 176.600 0.041 0.000 1.083 144 K CA 0.074 56.376 56.287 0.024 0.000 0.885 144 K CB 1.425 33.937 32.500 0.020 0.000 1.374 144 K HN 0.803 nan 8.250 nan 0.000 0.511 145 S N -1.935 113.797 115.700 0.053 0.000 2.618 145 S HA 0.635 5.105 4.470 -0.000 0.000 0.277 145 S C 0.396 175.047 174.600 0.085 0.000 1.138 145 S CA -0.229 58.015 58.200 0.074 0.000 0.844 145 S CB 1.642 64.890 63.200 0.079 0.000 1.127 145 S HN 0.517 nan 8.310 nan 0.000 0.474 146 A N 0.312 123.188 122.820 0.093 0.000 1.874 146 A HA 0.523 4.843 4.320 -0.000 0.000 0.214 146 A C 0.528 178.187 177.584 0.124 0.000 1.189 146 A CA 1.094 53.185 52.037 0.090 0.000 0.615 146 A CB -0.577 18.458 19.000 0.058 0.000 0.830 146 A HN 1.235 nan 8.150 nan 0.000 0.443 147 L N -0.903 120.410 121.223 0.149 0.000 2.493 147 L HA 0.683 5.023 4.340 -0.000 0.000 0.265 147 L C -1.363 175.637 176.870 0.217 0.000 0.954 147 L CA -0.169 54.788 54.840 0.195 0.000 0.844 147 L CB 1.767 43.955 42.059 0.216 0.000 1.302 147 L HN 0.319 nan 8.230 nan 0.000 0.405 148 M N 6.282 126.020 119.600 0.230 0.000 2.267 148 M HA 0.634 5.114 4.480 -0.000 0.000 0.289 148 M C -1.422 175.020 176.300 0.237 0.000 1.043 148 M CA -0.438 54.961 55.300 0.164 0.000 0.928 148 M CB 2.041 34.700 32.600 0.098 0.000 1.613 148 M HN 0.596 nan 8.290 nan 0.000 0.450 149 F N 0.074 120.032 119.950 0.014 0.000 2.711 149 F HA 0.593 5.120 4.527 0.000 0.000 0.313 149 F C -0.802 174.933 175.800 -0.109 0.000 1.141 149 F CA -1.289 56.681 58.000 -0.050 0.000 0.941 149 F CB 0.927 39.962 39.000 0.059 0.000 1.349 149 F HN 0.469 nan 8.300 nan 0.000 0.464 150 N N 1.732 120.317 118.700 -0.193 0.000 2.429 150 N HA 0.135 4.875 4.740 -0.000 0.000 0.271 150 N C -0.015 175.371 175.510 -0.206 0.000 1.272 150 N CA 0.111 52.955 53.050 -0.343 0.000 0.921 150 N CB 0.394 38.427 38.487 -0.757 0.000 1.128 150 N HN 0.803 nan 8.380 nan 0.000 0.481 151 L N 2.367 123.463 121.223 -0.211 0.000 2.628 151 L HA 0.135 4.475 4.340 -0.000 0.000 0.229 151 L C 1.306 178.181 176.870 0.008 0.000 1.137 151 L CA -0.007 54.755 54.840 -0.130 0.000 0.909 151 L CB 0.111 42.041 42.059 -0.214 0.000 1.137 151 L HN 0.448 nan 8.230 nan 0.000 0.470 152 Q N -0.321 119.497 119.800 0.030 0.000 2.376 152 Q HA 0.173 4.512 4.340 -0.000 0.000 0.206 152 Q C 0.253 176.334 176.000 0.136 0.000 0.921 152 Q CA 0.597 56.441 55.803 0.068 0.000 0.911 152 Q CB 0.724 29.489 28.738 0.046 0.000 1.032 152 Q HN 0.295 nan 8.270 nan 0.000 0.510 153 E N 1.623 121.956 120.200 0.221 0.000 2.158 153 E HA 0.186 4.536 4.350 -0.000 0.000 0.271 153 E C -1.841 175.013 176.600 0.424 0.000 0.911 153 E CA -2.023 54.559 56.400 0.303 0.000 0.767 153 E CB 2.033 31.975 29.700 0.402 0.000 1.120 153 E HN -0.101 nan 8.360 nan 0.000 0.405 154 P HA -0.160 nan 4.420 nan 0.000 0.226 154 P C 1.304 178.964 177.300 0.600 0.000 1.153 154 P CA 0.739 64.117 63.100 0.464 0.000 0.777 154 P CB 0.145 32.127 31.700 0.470 0.000 0.794 155 Y N 0.585 121.006 120.300 0.201 0.000 2.193 155 Y HA -0.221 4.329 4.550 -0.000 0.000 0.285 155 Y C 1.856 177.891 175.900 0.224 0.000 1.166 155 Y CA 1.742 59.910 58.100 0.113 0.000 1.181 155 Y CB -0.981 37.309 38.460 -0.285 0.000 0.976 155 Y HN -0.208 nan 8.280 nan 0.000 0.520 156 F N -1.036 119.157 119.950 0.405 0.000 2.512 156 F HA -0.032 4.495 4.527 0.000 0.000 0.296 156 F C 2.452 178.474 175.800 0.369 0.000 1.110 156 F CA 1.339 59.549 58.000 0.351 0.000 1.446 156 F CB -0.668 38.656 39.000 0.540 0.000 1.092 156 F HN 0.081 nan 8.300 nan 0.000 0.554 157 T N -3.786 111.125 114.554 0.594 0.000 3.051 157 T HA -0.140 4.210 4.350 -0.000 0.000 0.255 157 T C 1.886 176.755 174.700 0.281 0.000 1.085 157 T CA -0.023 62.343 62.100 0.444 0.000 1.109 157 T CB -0.723 68.376 68.868 0.385 0.000 0.921 157 T HN 0.478 nan 8.240 nan 0.000 0.488 158 W N 2.926 124.346 121.300 0.201 0.000 2.325 158 W HA -0.074 4.586 4.660 -0.000 0.000 0.299 158 W C -1.679 174.841 176.519 0.001 0.000 1.215 158 W CA 1.129 58.560 57.345 0.143 0.000 1.244 158 W CB -1.026 28.623 29.460 0.316 0.000 1.140 158 W HN 0.299 nan 8.180 nan 0.000 0.523 159 P HA -0.206 nan 4.420 nan 0.000 0.216 159 P C 1.743 178.910 177.300 -0.221 0.000 1.150 159 P CA 1.555 64.588 63.100 -0.111 0.000 0.837 159 P CB -0.423 31.278 31.700 0.002 0.000 0.786 160 L N -1.043 120.012 121.223 -0.280 0.000 2.095 160 L HA 0.001 4.341 4.340 -0.000 0.000 0.204 160 L C 2.117 178.655 176.870 -0.552 0.000 1.080 160 L CA 1.513 56.025 54.840 -0.547 0.000 0.759 160 L CB -1.102 40.408 42.059 -0.915 0.000 0.914 160 L HN -0.157 nan 8.230 nan 0.000 0.439 161 I N 0.017 120.274 120.570 -0.523 0.000 2.286 161 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 161 I C 2.480 178.186 176.117 -0.686 0.000 1.115 161 I CA 1.232 62.189 61.300 -0.572 0.000 1.392 161 I CB -0.604 37.053 38.000 -0.571 0.000 1.065 161 I HN 0.365 nan 8.210 nan 0.000 0.418 162 A N 0.525 122.797 122.820 -0.913 0.000 2.067 162 A HA 0.055 4.375 4.320 -0.000 0.000 0.217 162 A C 2.538 179.947 177.584 -0.291 0.000 1.156 162 A CA 1.189 52.814 52.037 -0.686 0.000 0.683 162 A CB -0.548 17.990 19.000 -0.771 0.000 0.808 162 A HN 0.393 nan 8.150 nan 0.000 0.455 163 A N 0.247 122.935 122.820 -0.221 0.000 1.892 163 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 163 A C 1.777 179.363 177.584 0.002 0.000 1.188 163 A CA 2.213 54.219 52.037 -0.051 0.000 0.631 163 A CB -0.555 18.477 19.000 0.053 0.000 0.822 163 A HN 0.461 nan 8.150 nan 0.000 0.447 164 D N -2.922 117.507 120.400 0.047 0.000 2.328 164 D HA 0.333 4.973 4.640 -0.000 0.000 0.221 164 D C 0.925 177.228 176.300 0.005 0.000 1.072 164 D CA 1.111 55.127 54.000 0.025 0.000 0.850 164 D CB 0.139 40.982 40.800 0.072 0.000 0.922 164 D HN 0.494 nan 8.370 nan 0.000 0.516 165 G N -1.296 107.500 108.800 -0.007 0.000 2.902 165 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.215 165 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.215 165 G C 0.710 175.657 174.900 0.078 0.000 0.976 165 G CA -0.223 44.906 45.100 0.048 0.000 0.794 165 G HN 0.470 nan 8.290 nan 0.000 0.557 166 G N 0.347 109.104 108.800 -0.071 0.000 2.491 166 G HA2 0.621 4.581 3.960 -0.000 0.000 0.238 166 G HA3 0.621 4.581 3.960 -0.000 0.000 0.238 166 G C -0.251 174.701 174.900 0.088 0.000 1.277 166 G CA 0.654 45.674 45.100 -0.133 0.000 0.851 166 G HN 1.461 nan 8.290 nan 0.000 0.573 167 Y N -1.971 118.465 120.300 0.225 0.000 2.638 167 Y HA 0.708 5.258 4.550 0.000 0.000 0.335 167 Y C 0.595 176.690 175.900 0.325 0.000 1.155 167 Y CA -0.773 57.541 58.100 0.356 0.000 1.046 167 Y CB 0.750 39.316 38.460 0.176 0.000 1.303 167 Y HN 0.679 nan 8.280 nan 0.000 0.460 168 A N 1.254 124.189 122.820 0.193 0.000 1.865 168 A HA 0.418 4.738 4.320 -0.000 0.000 0.216 168 A C -0.448 176.768 177.584 -0.612 0.000 1.315 168 A CA 0.874 52.495 52.037 -0.693 0.000 0.605 168 A CB -0.405 17.767 19.000 -1.379 0.000 0.984 168 A HN 0.557 nan 8.150 nan 0.000 0.470 169 F N -0.691 119.315 119.950 0.092 0.000 2.520 169 F HA 0.540 5.067 4.527 -0.000 0.000 0.322 169 F C 0.030 176.088 175.800 0.431 0.000 1.103 169 F CA -1.116 57.035 58.000 0.252 0.000 0.926 169 F CB 1.650 40.692 39.000 0.070 0.000 1.154 169 F HN 0.063 nan 8.300 nan 0.000 0.453 170 K N 2.197 122.911 120.400 0.524 0.000 2.412 170 K HA 0.103 4.423 4.320 -0.000 0.000 0.281 170 K C -1.672 175.116 176.600 0.315 0.000 1.027 170 K CA 0.126 56.547 56.287 0.223 0.000 0.989 170 K CB 0.085 32.642 32.500 0.095 0.000 0.935 170 K HN 0.566 nan 8.250 nan 0.000 0.475 171 Y N 3.099 123.418 120.300 0.032 0.000 2.331 171 Y HA 0.410 4.960 4.550 -0.000 0.000 0.338 171 Y C -0.825 174.993 175.900 -0.136 0.000 0.976 171 Y CA -0.515 57.475 58.100 -0.184 0.000 1.137 171 Y CB 1.027 39.309 38.460 -0.297 0.000 1.172 171 Y HN 0.810 nan 8.280 nan 0.000 0.478 172 E N 4.401 124.286 120.200 -0.527 0.000 2.363 172 E HA 0.244 4.594 4.350 -0.000 0.000 0.281 172 E C -0.863 175.463 176.600 -0.455 0.000 0.953 172 E CA -0.570 55.597 56.400 -0.388 0.000 0.778 172 E CB 0.919 30.514 29.700 -0.176 0.000 1.220 172 E HN 0.780 nan 8.360 nan 0.000 0.431 173 N N 2.047 120.538 118.700 -0.348 0.000 2.725 173 N HA -0.236 4.504 4.740 -0.000 0.000 0.249 173 N C 0.539 175.841 175.510 -0.347 0.000 1.103 173 N CA 1.548 54.437 53.050 -0.269 0.000 0.707 173 N CB -1.358 37.022 38.487 -0.178 0.000 1.043 173 N HN 0.986 nan 8.380 nan 0.000 0.553 174 G N -0.569 107.875 108.800 -0.593 0.000 2.155 174 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.257 174 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.257 174 G C -0.050 174.563 174.900 -0.478 0.000 0.983 174 G CA 1.213 46.015 45.100 -0.497 0.000 0.676 174 G HN 0.889 nan 8.290 nan 0.000 0.528 175 K N -1.145 118.852 120.400 -0.671 0.000 2.477 175 K HA 0.659 4.979 4.320 -0.000 0.000 0.255 175 K C -1.112 175.303 176.600 -0.308 0.000 0.952 175 K CA -1.334 54.765 56.287 -0.312 0.000 0.826 175 K CB 1.561 33.972 32.500 -0.148 0.000 1.331 175 K HN -0.005 nan 8.250 nan 0.000 0.437 176 Y N 0.926 121.290 120.300 0.107 0.000 2.316 176 Y HA 0.112 4.662 4.550 0.000 0.000 0.331 176 Y C 0.113 176.044 175.900 0.053 0.000 1.083 176 Y CA -0.154 58.027 58.100 0.135 0.000 1.206 176 Y CB 1.052 39.571 38.460 0.099 0.000 1.195 176 Y HN 0.642 nan 8.280 nan 0.000 0.497 177 D N 4.600 125.152 120.400 0.253 0.000 2.365 177 D HA 0.053 4.693 4.640 -0.000 0.000 0.237 177 D C 1.062 177.517 176.300 0.258 0.000 1.190 177 D CA -0.198 53.914 54.000 0.188 0.000 0.867 177 D CB 0.466 41.362 40.800 0.160 0.000 1.050 177 D HN 0.659 nan 8.370 nan 0.000 0.491 178 I N 0.856 121.513 120.570 0.144 0.000 2.916 178 I HA -0.087 4.083 4.170 -0.000 0.000 0.267 178 I C 1.067 177.355 176.117 0.286 0.000 1.263 178 I CA 0.623 62.004 61.300 0.135 0.000 1.471 178 I CB 0.014 38.002 38.000 -0.019 0.000 1.089 178 I HN -0.011 nan 8.210 nan 0.000 0.468 179 K N 0.649 121.181 120.400 0.220 0.000 2.367 179 K HA 0.135 4.455 4.320 -0.000 0.000 0.194 179 K C 0.028 176.750 176.600 0.204 0.000 1.027 179 K CA 0.278 56.678 56.287 0.189 0.000 1.075 179 K CB -0.094 32.479 32.500 0.121 0.000 0.845 179 K HN 0.287 nan 8.250 nan 0.000 0.529 180 D N 1.549 122.109 120.400 0.267 0.000 2.499 180 D HA 0.137 4.777 4.640 -0.000 0.000 0.225 180 D C -1.051 175.458 176.300 0.349 0.000 1.124 180 D CA -0.327 53.843 54.000 0.282 0.000 0.938 180 D CB 0.351 41.316 40.800 0.275 0.000 1.014 180 D HN -0.299 nan 8.370 nan 0.000 0.517 181 V N 1.986 121.997 119.914 0.161 0.000 2.581 181 V HA 0.662 4.782 4.120 -0.000 0.000 0.303 181 V C 1.170 177.075 176.094 -0.314 0.000 1.041 181 V CA -0.812 61.444 62.300 -0.073 0.000 0.907 181 V CB 2.068 33.833 31.823 -0.096 0.000 0.994 181 V HN 0.563 nan 8.190 nan 0.000 0.442 182 G N 2.381 110.728 108.800 -0.756 0.000 4.433 182 G HA2 0.345 4.305 3.960 -0.000 0.000 0.304 182 G HA3 0.345 4.305 3.960 -0.000 0.000 0.304 182 G C 0.480 175.149 174.900 -0.385 0.000 1.254 182 G CA 0.038 44.448 45.100 -1.151 0.000 0.999 182 G HN 0.514 nan 8.290 nan 0.000 0.576 183 V N 0.464 120.297 119.914 -0.136 0.000 2.825 183 V HA 0.017 4.137 4.120 -0.000 0.000 0.246 183 V C 1.746 177.842 176.094 0.004 0.000 1.068 183 V CA 1.736 64.063 62.300 0.046 0.000 1.088 183 V CB 0.472 32.343 31.823 0.079 0.000 0.733 183 V HN 0.598 nan 8.190 nan 0.000 0.468 184 D N -0.083 120.299 120.400 -0.031 0.000 2.538 184 D HA 0.053 4.693 4.640 -0.000 0.000 0.231 184 D C 0.346 176.635 176.300 -0.019 0.000 1.229 184 D CA -0.368 53.624 54.000 -0.013 0.000 0.828 184 D CB -0.664 40.138 40.800 0.003 0.000 1.035 184 D HN 0.535 nan 8.370 nan 0.000 0.495 185 N N 0.198 118.872 118.700 -0.044 0.000 2.347 185 N HA 0.264 5.004 4.740 -0.000 0.000 0.253 185 N C 1.327 176.834 175.510 -0.005 0.000 1.274 185 N CA 0.049 53.087 53.050 -0.020 0.000 0.941 185 N CB 0.483 38.958 38.487 -0.020 0.000 1.200 185 N HN -0.082 nan 8.380 nan 0.000 0.514 186 A N -0.365 122.462 122.820 0.012 0.000 1.933 186 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 186 A C 2.020 179.615 177.584 0.018 0.000 1.175 186 A CA 1.860 53.907 52.037 0.017 0.000 0.628 186 A CB -1.630 17.382 19.000 0.020 0.000 0.814 186 A HN 0.816 nan 8.150 nan 0.000 0.444 187 G N -0.606 108.202 108.800 0.013 0.000 2.402 187 G HA2 0.041 4.001 3.960 -0.000 0.000 0.216 187 G HA3 0.041 4.001 3.960 -0.000 0.000 0.216 187 G C 1.757 176.645 174.900 -0.021 0.000 1.162 187 G CA 1.346 46.453 45.100 0.011 0.000 0.777 187 G HN 0.773 nan 8.290 nan 0.000 0.539 188 A N 0.933 123.713 122.820 -0.066 0.000 1.902 188 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 188 A C 2.300 179.846 177.584 -0.063 0.000 1.181 188 A CA 2.009 53.977 52.037 -0.115 0.000 0.623 188 A CB -0.377 18.566 19.000 -0.095 0.000 0.818 188 A HN 0.377 nan 8.150 nan 0.000 0.443 189 K N -0.295 120.094 120.400 -0.018 0.000 2.057 189 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 189 K C 2.298 178.916 176.600 0.030 0.000 1.049 189 K CA 1.147 57.437 56.287 0.005 0.000 0.931 189 K CB -0.334 32.176 32.500 0.017 0.000 0.714 189 K HN 0.452 nan 8.250 nan 0.000 0.440 190 A N 1.149 124.010 122.820 0.069 0.000 1.902 190 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 190 A C 2.422 180.099 177.584 0.155 0.000 1.181 190 A CA 1.943 54.086 52.037 0.177 0.000 0.623 190 A CB -1.178 17.966 19.000 0.240 0.000 0.818 190 A HN 0.430 nan 8.150 nan 0.000 0.443 191 G N -0.411 108.377 108.800 -0.020 0.000 2.404 191 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.215 191 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.215 191 G C 1.470 176.187 174.900 -0.306 0.000 1.174 191 G CA 1.154 46.000 45.100 -0.422 0.000 0.780 191 G HN 0.458 nan 8.290 nan 0.000 0.537 192 L N 0.998 122.128 121.223 -0.154 0.000 2.141 192 L HA 0.061 4.401 4.340 -0.000 0.000 0.209 192 L C 2.843 179.683 176.870 -0.049 0.000 1.094 192 L CA 2.224 57.010 54.840 -0.090 0.000 0.763 192 L CB -0.887 41.149 42.059 -0.039 0.000 0.908 192 L HN 0.162 nan 8.230 nan 0.000 0.437 193 T N -0.747 113.801 114.554 -0.011 0.000 2.788 193 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 193 T C 1.633 176.345 174.700 0.020 0.000 1.044 193 T CA 1.826 63.938 62.100 0.020 0.000 1.139 193 T CB -0.500 68.405 68.868 0.062 0.000 0.867 193 T HN 0.368 nan 8.240 nan 0.000 0.454 194 F N 1.293 121.167 119.950 -0.126 0.000 2.134 194 F HA -0.030 4.497 4.527 0.000 0.000 0.299 194 F C 1.988 177.701 175.800 -0.145 0.000 1.097 194 F CA 0.793 58.706 58.000 -0.144 0.000 1.264 194 F CB -0.394 38.389 39.000 -0.363 0.000 1.001 194 F HN 0.032 nan 8.300 nan 0.000 0.479 195 L N -0.230 120.950 121.223 -0.072 0.000 2.012 195 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 195 L C 2.208 179.031 176.870 -0.078 0.000 1.073 195 L CA 1.648 56.446 54.840 -0.070 0.000 0.748 195 L CB -0.831 41.192 42.059 -0.060 0.000 0.891 195 L HN 0.036 nan 8.230 nan 0.000 0.431 196 V N -0.184 119.688 119.914 -0.070 0.000 2.407 196 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 196 V C 2.198 178.243 176.094 -0.082 0.000 1.055 196 V CA 1.870 64.135 62.300 -0.058 0.000 1.049 196 V CB -0.831 30.971 31.823 -0.035 0.000 0.662 196 V HN 0.476 nan 8.190 nan 0.000 0.455 197 D N 0.084 120.409 120.400 -0.126 0.000 2.144 197 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 197 D C 2.151 178.368 176.300 -0.140 0.000 0.984 197 D CA 1.055 54.969 54.000 -0.144 0.000 0.834 197 D CB -0.223 40.462 40.800 -0.192 0.000 0.955 197 D HN 0.339 nan 8.370 nan 0.000 0.465 198 L N 0.356 121.476 121.223 -0.173 0.000 2.042 198 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 198 L C 2.440 179.303 176.870 -0.011 0.000 1.076 198 L CA 0.836 55.667 54.840 -0.015 0.000 0.749 198 L CB -0.288 41.792 42.059 0.035 0.000 0.893 198 L HN 0.048 nan 8.230 nan 0.000 0.432 199 I N -0.580 119.962 120.570 -0.046 0.000 2.233 199 I HA -0.248 3.922 4.170 -0.000 0.000 0.243 199 I C 2.498 178.568 176.117 -0.079 0.000 1.093 199 I CA 1.125 62.392 61.300 -0.055 0.000 1.380 199 I CB -0.272 37.699 38.000 -0.049 0.000 1.067 199 I HN 0.151 nan 8.210 nan 0.000 0.413 200 K N 0.998 121.351 120.400 -0.078 0.000 2.074 200 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 200 K C 1.369 177.899 176.600 -0.117 0.000 1.048 200 K CA 1.863 58.103 56.287 -0.079 0.000 0.926 200 K CB -0.355 32.107 32.500 -0.063 0.000 0.713 200 K HN 0.400 nan 8.250 nan 0.000 0.444 201 N N 0.385 118.983 118.700 -0.170 0.000 2.383 201 N HA 0.015 4.754 4.740 -0.000 0.000 0.192 201 N C -0.639 174.571 175.510 -0.500 0.000 1.141 201 N CA 0.065 52.931 53.050 -0.307 0.000 0.851 201 N CB 0.292 38.594 38.487 -0.309 0.000 0.976 201 N HN 0.065 nan 8.380 nan 0.000 0.465 202 K N -0.660 119.558 120.400 -0.304 0.000 3.281 202 K HA -0.227 4.093 4.320 -0.000 0.000 0.295 202 K C -0.288 176.186 176.600 -0.209 0.000 1.233 202 K CA 0.496 56.653 56.287 -0.216 0.000 0.866 202 K CB -1.589 30.816 32.500 -0.158 0.000 1.265 202 K HN 0.508 nan 8.250 nan 0.000 0.482 203 H N -0.710 118.359 119.070 -0.001 0.000 2.502 203 H HA 0.173 4.729 4.556 -0.000 0.000 0.283 203 H C 1.099 176.446 175.328 0.032 0.000 1.015 203 H CA 0.898 56.961 56.048 0.024 0.000 1.298 203 H CB 0.193 29.977 29.762 0.036 0.000 1.411 203 H HN 0.292 nan 8.280 nan 0.000 0.556 204 M N -0.147 119.506 119.600 0.088 0.000 2.667 204 M HA 0.252 4.732 4.480 -0.000 0.000 0.286 204 M C -0.601 175.686 176.300 -0.021 0.000 1.270 204 M CA -0.822 54.498 55.300 0.032 0.000 0.826 204 M CB 2.841 35.452 32.600 0.019 0.000 1.743 204 M HN -0.141 nan 8.290 nan 0.000 0.460 205 N N 0.226 118.900 118.700 -0.043 0.000 2.354 205 N HA 0.489 5.229 4.740 -0.000 0.000 0.287 205 N C -0.034 175.437 175.510 -0.065 0.000 1.016 205 N CA -0.020 53.002 53.050 -0.047 0.000 0.871 205 N CB 2.113 40.579 38.487 -0.035 0.000 1.299 205 N HN 0.808 nan 8.380 nan 0.000 0.482 206 A N 2.759 125.546 122.820 -0.054 0.000 2.076 206 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 206 A C 1.061 178.615 177.584 -0.050 0.000 1.160 206 A CA 1.312 53.317 52.037 -0.054 0.000 0.653 206 A CB -0.060 18.919 19.000 -0.035 0.000 0.801 206 A HN 0.717 nan 8.150 nan 0.000 0.455 207 D N -0.387 119.988 120.400 -0.042 0.000 2.349 207 D HA 0.029 4.669 4.640 -0.000 0.000 0.215 207 D C 0.144 176.419 176.300 -0.041 0.000 1.016 207 D CA 0.449 54.430 54.000 -0.032 0.000 0.870 207 D CB -0.252 40.535 40.800 -0.021 0.000 0.917 207 D HN 0.229 nan 8.370 nan 0.000 0.524 208 T N 2.523 117.038 114.554 -0.066 0.000 2.867 208 T HA 0.138 4.488 4.350 -0.000 0.000 0.297 208 T C 0.270 174.918 174.700 -0.087 0.000 0.989 208 T CA -0.061 61.992 62.100 -0.079 0.000 1.159 208 T CB 0.794 69.593 68.868 -0.114 0.000 0.928 208 T HN 0.213 nan 8.240 nan 0.000 0.538 209 D N 1.442 121.809 120.400 -0.055 0.000 2.712 209 D HA 0.166 4.806 4.640 -0.000 0.000 0.252 209 D C 0.993 177.274 176.300 -0.032 0.000 1.123 209 D CA -0.946 53.034 54.000 -0.033 0.000 1.109 209 D CB 0.055 40.864 40.800 0.016 0.000 1.313 209 D HN 0.329 nan 8.370 nan 0.000 0.629 210 Y N 0.510 120.750 120.300 -0.101 0.000 2.114 210 Y HA -0.201 4.349 4.550 -0.000 0.000 0.284 210 Y C 2.569 178.459 175.900 -0.016 0.000 1.143 210 Y CA 3.195 61.241 58.100 -0.089 0.000 1.135 210 Y CB -0.361 38.071 38.460 -0.046 0.000 0.980 210 Y HN 0.436 nan 8.280 nan 0.000 0.499 211 S N -0.166 115.657 115.700 0.206 0.000 2.368 211 S HA -0.222 4.248 4.470 -0.000 0.000 0.225 211 S C 2.036 176.661 174.600 0.042 0.000 1.030 211 S CA 1.641 59.927 58.200 0.144 0.000 0.999 211 S CB -1.076 62.201 63.200 0.128 0.000 0.844 211 S HN 0.525 nan 8.310 nan 0.000 0.459 212 I N 2.343 122.924 120.570 0.017 0.000 2.179 212 I HA -0.140 4.030 4.170 -0.000 0.000 0.242 212 I C 3.056 179.165 176.117 -0.014 0.000 1.088 212 I CA 1.181 62.482 61.300 0.001 0.000 1.357 212 I CB -0.620 37.377 38.000 -0.006 0.000 1.051 212 I HN 0.414 nan 8.210 nan 0.000 0.409 213 A N 0.153 122.939 122.820 -0.056 0.000 1.898 213 A HA -0.254 4.066 4.320 -0.000 0.000 0.216 213 A C 2.309 179.875 177.584 -0.030 0.000 1.181 213 A CA 1.840 53.848 52.037 -0.049 0.000 0.620 213 A CB -0.612 18.329 19.000 -0.098 0.000 0.819 213 A HN 0.495 nan 8.150 nan 0.000 0.442 214 E N -0.050 120.080 120.200 -0.115 0.000 2.051 214 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 214 E C 2.150 178.777 176.600 0.045 0.000 0.991 214 E CA 1.081 57.444 56.400 -0.062 0.000 0.799 214 E CB -0.275 29.359 29.700 -0.110 0.000 0.748 214 E HN 0.515 nan 8.360 nan 0.000 0.449 215 A N 1.302 124.143 122.820 0.034 0.000 1.883 215 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 215 A C 2.428 180.035 177.584 0.040 0.000 1.186 215 A CA 2.026 54.087 52.037 0.040 0.000 0.624 215 A CB -0.916 18.103 19.000 0.032 0.000 0.822 215 A HN 0.435 nan 8.150 nan 0.000 0.444 216 A N -1.353 121.495 122.820 0.048 0.000 1.877 216 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 216 A C 2.085 179.704 177.584 0.059 0.000 1.186 216 A CA 1.678 53.743 52.037 0.048 0.000 0.620 216 A CB -0.730 18.305 19.000 0.058 0.000 0.822 216 A HN 0.657 nan 8.150 nan 0.000 0.443 217 F N 1.442 121.381 119.950 -0.018 0.000 2.113 217 F HA -0.159 4.368 4.527 -0.000 0.000 0.297 217 F C 1.772 177.557 175.800 -0.025 0.000 1.103 217 F CA 2.006 59.996 58.000 -0.017 0.000 1.248 217 F CB -0.211 38.772 39.000 -0.029 0.000 0.999 217 F HN 0.218 nan 8.300 nan 0.000 0.475 218 N N 0.370 119.095 118.700 0.042 0.000 2.459 218 N HA -0.085 4.655 4.740 -0.000 0.000 0.181 218 N C 1.177 176.634 175.510 -0.088 0.000 1.046 218 N CA 0.898 53.931 53.050 -0.028 0.000 0.904 218 N CB -0.276 38.244 38.487 0.055 0.000 0.964 218 N HN 0.389 nan 8.380 nan 0.000 0.444 219 K N -0.525 119.826 120.400 -0.082 0.000 2.374 219 K HA 0.194 4.514 4.320 -0.000 0.000 0.196 219 K C 0.540 177.074 176.600 -0.109 0.000 1.023 219 K CA 0.238 56.482 56.287 -0.072 0.000 1.103 219 K CB 0.548 33.028 32.500 -0.033 0.000 0.848 219 K HN 0.136 nan 8.250 nan 0.000 0.528 220 G N 2.119 110.801 108.800 -0.197 0.000 2.147 220 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.244 220 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.244 220 G C 0.418 175.241 174.900 -0.130 0.000 1.005 220 G CA 0.426 45.398 45.100 -0.214 0.000 0.713 220 G HN 0.446 nan 8.290 nan 0.000 0.515 221 E N -0.975 119.171 120.200 -0.090 0.000 2.250 221 E HA 0.122 4.472 4.350 -0.000 0.000 0.192 221 E C 1.141 177.740 176.600 -0.001 0.000 0.986 221 E CA 1.028 57.409 56.400 -0.031 0.000 0.849 221 E CB 0.398 30.093 29.700 -0.009 0.000 0.797 221 E HN 0.339 nan 8.360 nan 0.000 0.482 222 T N -1.290 113.273 114.554 0.015 0.000 2.887 222 T HA 0.478 4.828 4.350 -0.000 0.000 0.288 222 T C 0.277 175.056 174.700 0.133 0.000 1.021 222 T CA -0.263 61.894 62.100 0.094 0.000 1.000 222 T CB 1.707 70.667 68.868 0.153 0.000 1.034 222 T HN 0.001 nan 8.240 nan 0.000 0.467 223 A N 4.255 127.171 122.820 0.160 0.000 2.123 223 A HA 0.438 4.758 4.320 -0.000 0.000 0.214 223 A C 0.743 178.566 177.584 0.399 0.000 1.152 223 A CA 0.673 52.829 52.037 0.199 0.000 0.728 223 A CB -0.193 18.889 19.000 0.137 0.000 0.814 223 A HN 0.743 nan 8.150 nan 0.000 0.464 224 M N -2.000 117.828 119.600 0.380 0.000 2.520 224 M HA 0.441 4.921 4.480 -0.000 0.000 0.283 224 M C -0.666 175.710 176.300 0.127 0.000 1.237 224 M CA -0.230 55.226 55.300 0.260 0.000 0.885 224 M CB 2.516 35.180 32.600 0.106 0.000 1.727 224 M HN 0.058 nan 8.290 nan 0.000 0.468 225 T N 1.121 115.571 114.554 -0.174 0.000 2.812 225 T HA 0.820 5.170 4.350 -0.000 0.000 0.294 225 T C -1.910 172.699 174.700 -0.152 0.000 1.159 225 T CA -0.543 61.469 62.100 -0.147 0.000 1.008 225 T CB 1.502 70.181 68.868 -0.315 0.000 1.289 225 T HN 0.582 nan 8.240 nan 0.000 0.514 226 I N 3.288 123.829 120.570 -0.048 0.000 2.447 226 I HA 0.554 4.724 4.170 -0.000 0.000 0.287 226 I C -0.319 175.890 176.117 0.153 0.000 1.023 226 I CA -0.729 60.545 61.300 -0.042 0.000 1.083 226 I CB 1.754 39.620 38.000 -0.224 0.000 1.245 226 I HN 0.493 nan 8.210 nan 0.000 0.434 227 N N 2.856 121.599 118.700 0.072 0.000 3.116 227 N HA 0.531 5.271 4.740 -0.000 0.000 0.244 227 N C -0.954 174.419 175.510 -0.229 0.000 1.485 227 N CA -0.351 52.759 53.050 0.101 0.000 0.884 227 N CB 2.382 40.867 38.487 -0.004 0.000 1.415 227 N HN 0.654 nan 8.380 nan 0.000 0.524 228 G N -0.058 108.250 108.800 -0.820 0.000 2.705 228 G HA2 0.484 4.444 3.960 -0.000 0.000 0.299 228 G HA3 0.484 4.444 3.960 -0.000 0.000 0.299 228 G C -1.952 171.920 174.900 -1.715 0.000 1.315 228 G CA -1.070 43.150 45.100 -1.467 0.000 1.045 228 G HN 0.333 nan 8.290 nan 0.000 0.517 229 P HA -0.084 nan 4.420 nan 0.000 0.218 229 P C 1.363 177.828 177.300 -1.392 0.000 1.148 229 P CA 1.408 63.236 63.100 -2.119 0.000 0.822 229 P CB -0.012 30.887 31.700 -1.335 0.000 0.784 230 W N -0.095 120.895 121.300 -0.516 0.000 2.387 230 W HA 0.031 4.691 4.660 -0.000 0.000 0.272 230 W C 1.794 178.211 176.519 -0.169 0.000 1.224 230 W CA 0.912 58.093 57.345 -0.274 0.000 1.210 230 W CB -1.905 27.453 29.460 -0.169 0.000 1.125 230 W HN -0.133 nan 8.180 nan 0.000 0.572 231 A N -0.010 122.520 122.820 -0.484 0.000 2.123 231 A HA 0.039 4.359 4.320 -0.000 0.000 0.214 231 A C 1.545 179.121 177.584 -0.014 0.000 1.152 231 A CA 0.757 52.726 52.037 -0.113 0.000 0.728 231 A CB -1.124 17.773 19.000 -0.171 0.000 0.814 231 A HN 0.411 nan 8.150 nan 0.000 0.464 232 W N 1.239 122.463 121.300 -0.128 0.000 2.402 232 W HA -0.141 4.519 4.660 -0.000 0.000 0.286 232 W C 2.653 179.142 176.519 -0.049 0.000 1.221 232 W CA 1.072 58.344 57.345 -0.120 0.000 1.257 232 W CB -1.474 27.992 29.460 0.011 0.000 1.120 232 W HN 0.552 nan 8.180 nan 0.000 0.551 233 S N 0.644 116.461 115.700 0.196 0.000 2.368 233 S HA -0.190 4.280 4.470 -0.000 0.000 0.224 233 S C 1.638 176.295 174.600 0.095 0.000 1.029 233 S CA 1.383 59.668 58.200 0.142 0.000 0.988 233 S CB -0.790 62.469 63.200 0.098 0.000 0.838 233 S HN 0.129 nan 8.310 nan 0.000 0.462 234 N N 2.104 120.852 118.700 0.079 0.000 2.223 234 N HA 0.101 4.841 4.740 -0.000 0.000 0.185 234 N C 1.687 177.221 175.510 0.040 0.000 1.016 234 N CA 1.357 54.445 53.050 0.064 0.000 0.863 234 N CB -0.562 37.974 38.487 0.082 0.000 0.983 234 N HN 0.551 nan 8.380 nan 0.000 0.429 235 I N 0.747 121.311 120.570 -0.010 0.000 2.315 235 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 235 I C 1.464 177.589 176.117 0.012 0.000 1.117 235 I CA 0.950 62.193 61.300 -0.095 0.000 1.404 235 I CB -0.260 37.440 38.000 -0.500 0.000 1.071 235 I HN -0.059 nan 8.210 nan 0.000 0.419 236 D N 0.903 121.362 120.400 0.099 0.000 2.104 236 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 236 D C 2.235 178.597 176.300 0.103 0.000 0.994 236 D CA 1.723 55.829 54.000 0.177 0.000 0.830 236 D CB -0.433 40.471 40.800 0.174 0.000 0.959 236 D HN 0.243 nan 8.370 nan 0.000 0.452 237 T N -0.005 114.593 114.554 0.074 0.000 2.833 237 T HA -0.139 4.211 4.350 -0.000 0.000 0.269 237 T C 2.027 176.751 174.700 0.041 0.000 1.054 237 T CA 1.611 63.742 62.100 0.052 0.000 1.135 237 T CB -0.256 68.639 68.868 0.045 0.000 0.869 237 T HN 0.234 nan 8.240 nan 0.000 0.466 238 S N 0.593 116.315 115.700 0.038 0.000 2.481 238 S HA -0.029 4.441 4.470 -0.000 0.000 0.231 238 S C 1.061 175.670 174.600 0.014 0.000 0.996 238 S CA 0.572 58.783 58.200 0.018 0.000 0.942 238 S CB -0.169 63.034 63.200 0.005 0.000 0.768 238 S HN 0.303 nan 8.310 nan 0.000 0.520 239 K N -0.553 119.870 120.400 0.039 0.000 3.500 239 K HA -0.102 4.218 4.320 -0.000 0.000 0.313 239 K C -0.167 176.451 176.600 0.030 0.000 1.338 239 K CA 0.764 57.073 56.287 0.037 0.000 0.963 239 K CB -2.817 29.692 32.500 0.014 0.000 1.267 239 K HN 0.468 nan 8.250 nan 0.000 0.448 240 V N 2.347 122.277 119.914 0.026 0.000 2.673 240 V HA -0.037 4.083 4.120 -0.000 0.000 0.303 240 V C 1.081 177.233 176.094 0.097 0.000 1.046 240 V CA -0.104 62.191 62.300 -0.007 0.000 1.126 240 V CB 0.810 32.555 31.823 -0.130 0.000 0.934 240 V HN 0.230 nan 8.190 nan 0.000 0.487 241 N N 4.987 123.696 118.700 0.015 0.000 2.448 241 N HA 0.167 4.907 4.740 -0.000 0.000 0.250 241 N C -0.804 174.692 175.510 -0.023 0.000 1.136 241 N CA -0.234 52.803 53.050 -0.021 0.000 0.953 241 N CB -0.138 38.313 38.487 -0.060 0.000 1.251 241 N HN 0.580 nan 8.380 nan 0.000 0.502 242 Y N 0.489 120.706 120.300 -0.139 0.000 2.528 242 Y HA 0.880 5.430 4.550 -0.000 0.000 0.335 242 Y C 0.351 176.026 175.900 -0.375 0.000 1.093 242 Y CA -1.517 56.470 58.100 -0.188 0.000 1.134 242 Y CB 0.858 39.338 38.460 0.033 0.000 1.253 242 Y HN 0.249 nan 8.280 nan 0.000 0.478 243 G N 0.751 109.179 108.800 -0.621 0.000 2.498 243 G HA2 0.605 4.565 3.960 -0.000 0.000 0.312 243 G HA3 0.605 4.565 3.960 -0.000 0.000 0.312 243 G C -2.013 172.747 174.900 -0.233 0.000 1.230 243 G CA -1.164 43.556 45.100 -0.634 0.000 0.968 243 G HN 0.681 nan 8.290 nan 0.000 0.481 244 V N 0.312 120.160 119.914 -0.109 0.000 2.487 244 V HA 0.782 4.902 4.120 -0.000 0.000 0.298 244 V C 0.172 176.299 176.094 0.055 0.000 1.028 244 V CA -0.435 61.858 62.300 -0.011 0.000 0.860 244 V CB 1.329 33.047 31.823 -0.175 0.000 0.991 244 V HN 0.967 nan 8.190 nan 0.000 0.427 245 T N 2.545 117.156 114.554 0.096 0.000 2.754 245 T HA 0.483 4.832 4.350 -0.000 0.000 0.296 245 T C -0.988 173.712 174.700 -0.001 0.000 1.205 245 T CA -0.300 61.830 62.100 0.051 0.000 1.009 245 T CB 1.960 70.866 68.868 0.064 0.000 1.368 245 T HN 0.546 nan 8.240 nan 0.000 0.509 246 V N 3.253 123.148 119.914 -0.031 0.000 2.673 246 V HA 0.335 4.455 4.120 -0.000 0.000 0.303 246 V C 0.312 176.358 176.094 -0.080 0.000 1.046 246 V CA 0.064 62.338 62.300 -0.044 0.000 1.126 246 V CB -0.169 31.626 31.823 -0.047 0.000 0.934 246 V HN 0.725 nan 8.190 nan 0.000 0.487 247 L N 8.224 129.404 121.223 -0.071 0.000 2.483 247 L HA 0.247 4.587 4.340 -0.000 0.000 0.275 247 L C -1.915 174.865 176.870 -0.151 0.000 1.220 247 L CA -1.261 53.510 54.840 -0.116 0.000 0.833 247 L CB 0.024 42.060 42.059 -0.038 0.000 1.102 247 L HN 0.557 nan 8.230 nan 0.000 0.490 248 P HA 0.069 nan 4.420 nan 0.000 0.269 248 P C -0.591 176.691 177.300 -0.031 0.000 1.215 248 P CA -0.444 62.466 63.100 -0.317 0.000 0.780 248 P CB 0.430 31.674 31.700 -0.761 0.000 0.898 249 T N -0.958 113.619 114.554 0.039 0.000 2.849 249 T HA 0.515 4.865 4.350 -0.000 0.000 0.284 249 T C -0.713 174.179 174.700 0.320 0.000 1.004 249 T CA -0.305 61.881 62.100 0.142 0.000 1.021 249 T CB 0.207 69.099 68.868 0.040 0.000 1.013 249 T HN 0.213 nan 8.240 nan 0.000 0.527 250 F N 1.260 121.241 119.950 0.051 0.000 2.539 250 F HA 0.486 5.013 4.527 -0.000 0.000 0.318 250 F C 0.389 176.125 175.800 -0.107 0.000 1.135 250 F CA -1.452 56.500 58.000 -0.081 0.000 0.915 250 F CB 1.363 40.218 39.000 -0.241 0.000 1.176 250 F HN 0.895 nan 8.300 nan 0.000 0.440 251 K N 4.389 124.348 120.400 -0.736 0.000 3.035 251 K HA -0.196 4.124 4.320 -0.000 0.000 0.262 251 K C 0.895 177.333 176.600 -0.271 0.000 1.024 251 K CA 0.923 56.863 56.287 -0.577 0.000 0.748 251 K CB -1.654 30.381 32.500 -0.775 0.000 1.247 251 K HN 1.457 nan 8.250 nan 0.000 0.482 252 G N -0.351 108.351 108.800 -0.164 0.000 2.162 252 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.260 252 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.260 252 G C -0.141 174.723 174.900 -0.061 0.000 0.976 252 G CA 0.835 45.880 45.100 -0.091 0.000 0.655 252 G HN 0.458 nan 8.290 nan 0.000 0.533 253 Q N 0.438 120.206 119.800 -0.054 0.000 2.306 253 Q HA 0.553 4.893 4.340 -0.000 0.000 0.265 253 Q C -2.561 173.450 176.000 0.020 0.000 1.022 253 Q CA -2.285 53.504 55.803 -0.024 0.000 0.853 253 Q CB 2.422 31.139 28.738 -0.035 0.000 1.327 253 Q HN 0.152 nan 8.270 nan 0.000 0.449 254 P HA -0.004 nan 4.420 nan 0.000 0.269 254 P C -0.710 176.618 177.300 0.047 0.000 1.209 254 P CA -0.011 63.105 63.100 0.027 0.000 0.776 254 P CB 0.668 32.371 31.700 0.005 0.000 0.876 255 S N 1.933 117.684 115.700 0.085 0.000 2.560 255 S HA 0.079 4.549 4.470 -0.000 0.000 0.284 255 S C 0.365 174.970 174.600 0.008 0.000 1.327 255 S CA -0.065 58.181 58.200 0.076 0.000 1.055 255 S CB -0.118 63.183 63.200 0.168 0.000 0.868 255 S HN 0.278 nan 8.310 nan 0.000 0.506 256 K N 3.278 123.649 120.400 -0.048 0.000 2.562 256 K HA 0.280 4.600 4.320 -0.000 0.000 0.206 256 K C -2.668 173.902 176.600 -0.050 0.000 1.033 256 K CA -1.703 54.551 56.287 -0.055 0.000 1.029 256 K CB 1.040 33.486 32.500 -0.089 0.000 1.393 256 K HN 0.391 nan 8.250 nan 0.000 0.539 257 P HA 0.049 nan 4.420 nan 0.000 0.275 257 P C -0.436 176.936 177.300 0.121 0.000 1.228 257 P CA -0.327 62.792 63.100 0.031 0.000 0.786 257 P CB 0.538 32.237 31.700 -0.001 0.000 0.927 258 F N 0.966 121.050 119.950 0.223 0.000 2.471 258 F HA 0.078 4.605 4.527 -0.000 0.000 0.353 258 F C 0.722 176.675 175.800 0.254 0.000 1.113 258 F CA -0.002 58.163 58.000 0.274 0.000 1.262 258 F CB 0.425 39.646 39.000 0.369 0.000 1.146 258 F HN -0.017 nan 8.300 nan 0.000 0.578 259 V N 3.323 123.561 119.914 0.540 0.000 2.370 259 V HA 0.580 4.700 4.120 -0.000 0.000 0.279 259 V C 0.432 176.800 176.094 0.455 0.000 1.029 259 V CA -0.674 61.871 62.300 0.408 0.000 0.870 259 V CB 0.955 32.971 31.823 0.321 0.000 0.984 259 V HN 0.866 nan 8.190 nan 0.000 0.451 260 G N 3.377 112.417 108.800 0.401 0.000 2.415 260 G HA2 0.579 4.539 3.960 -0.000 0.000 0.327 260 G HA3 0.579 4.539 3.960 -0.000 0.000 0.327 260 G C -1.002 174.081 174.900 0.306 0.000 1.182 260 G CA -0.471 44.848 45.100 0.365 0.000 0.924 260 G HN 0.523 nan 8.290 nan 0.000 0.470 261 V N 3.714 123.876 119.914 0.415 0.000 2.311 261 V HA 0.183 4.303 4.120 -0.000 0.000 0.275 261 V C 0.232 176.393 176.094 0.112 0.000 1.022 261 V CA -0.775 61.601 62.300 0.127 0.000 0.830 261 V CB 0.975 32.713 31.823 -0.141 0.000 1.012 261 V HN 0.707 nan 8.190 nan 0.000 0.452 262 L N 5.978 127.235 121.223 0.057 0.000 2.559 262 L HA 0.295 4.635 4.340 -0.000 0.000 0.274 262 L C 0.336 177.223 176.870 0.028 0.000 1.205 262 L CA 1.333 56.206 54.840 0.054 0.000 0.907 262 L CB 0.417 42.519 42.059 0.071 0.000 1.153 262 L HN 0.725 nan 8.230 nan 0.000 0.490 263 S N 3.213 118.911 115.700 -0.003 0.000 2.595 263 S HA 0.896 5.366 4.470 -0.000 0.000 0.281 263 S C -0.919 173.479 174.600 -0.337 0.000 1.117 263 S CA -0.339 57.721 58.200 -0.235 0.000 0.873 263 S CB 1.865 64.756 63.200 -0.514 0.000 1.108 263 S HN 0.916 nan 8.310 nan 0.000 0.477 264 A N 1.255 123.799 122.820 -0.461 0.000 2.311 264 A HA 0.785 5.104 4.320 -0.000 0.000 0.306 264 A C 0.158 177.598 177.584 -0.239 0.000 1.189 264 A CA -0.571 51.081 52.037 -0.642 0.000 0.791 264 A CB 0.492 18.919 19.000 -0.956 0.000 1.172 264 A HN 0.904 nan 8.150 nan 0.000 0.481 265 G N 1.143 109.928 108.800 -0.025 0.000 2.410 265 G HA2 0.591 4.551 3.960 -0.000 0.000 0.330 265 G HA3 0.591 4.551 3.960 -0.000 0.000 0.330 265 G C -0.557 174.385 174.900 0.070 0.000 1.142 265 G CA -0.633 44.560 45.100 0.156 0.000 0.902 265 G HN 0.678 nan 8.290 nan 0.000 0.491 266 I N 1.585 122.214 120.570 0.099 0.000 2.336 266 I HA 0.132 4.302 4.170 -0.000 0.000 0.292 266 I C 0.006 176.177 176.117 0.090 0.000 0.991 266 I CA -0.962 60.381 61.300 0.072 0.000 1.227 266 I CB 1.599 39.652 38.000 0.090 0.000 1.366 266 I HN 0.336 nan 8.210 nan 0.000 0.466 267 N N 4.551 123.297 118.700 0.076 0.000 2.447 267 N HA 0.028 4.768 4.740 -0.000 0.000 0.263 267 N C 0.872 176.415 175.510 0.055 0.000 1.226 267 N CA 0.294 53.414 53.050 0.116 0.000 0.906 267 N CB 1.524 40.046 38.487 0.059 0.000 1.060 267 N HN 0.790 nan 8.380 nan 0.000 0.468 268 A N 3.824 126.677 122.820 0.055 0.000 2.076 268 A HA -0.075 4.245 4.320 -0.000 0.000 0.220 268 A C 1.734 179.316 177.584 -0.004 0.000 1.160 268 A CA 1.802 53.855 52.037 0.028 0.000 0.653 268 A CB -0.376 18.640 19.000 0.026 0.000 0.801 268 A HN 0.743 nan 8.150 nan 0.000 0.455 269 A N -0.845 121.956 122.820 -0.031 0.000 2.275 269 A HA 0.390 4.710 4.320 -0.000 0.000 0.212 269 A C 1.241 178.800 177.584 -0.042 0.000 1.201 269 A CA 0.625 52.633 52.037 -0.048 0.000 0.843 269 A CB -0.403 18.546 19.000 -0.085 0.000 0.873 269 A HN 0.417 nan 8.150 nan 0.000 0.492 270 S N 1.338 117.020 115.700 -0.030 0.000 2.531 270 S HA 0.289 4.759 4.470 -0.000 0.000 0.279 270 S C -1.390 173.200 174.600 -0.017 0.000 1.305 270 S CA -0.947 57.235 58.200 -0.030 0.000 1.058 270 S CB 0.766 63.953 63.200 -0.023 0.000 0.899 270 S HN 0.306 nan 8.310 nan 0.000 0.493 271 P HA 0.175 nan 4.420 nan 0.000 0.257 271 P C -0.383 176.917 177.300 0.000 0.000 1.281 271 P CA 0.104 63.199 63.100 -0.008 0.000 0.826 271 P CB -0.001 31.691 31.700 -0.012 0.000 1.237 272 N N 0.348 119.048 118.700 -0.001 0.000 2.401 272 N HA 0.123 4.863 4.740 -0.000 0.000 0.264 272 N C 0.974 176.495 175.510 0.018 0.000 1.238 272 N CA -0.217 52.839 53.050 0.009 0.000 0.889 272 N CB 0.555 39.041 38.487 -0.003 0.000 1.196 272 N HN 0.190 nan 8.380 nan 0.000 0.511 273 K N 0.575 120.989 120.400 0.023 0.000 2.097 273 K HA -0.144 4.176 4.320 -0.000 0.000 0.206 273 K C 1.540 178.170 176.600 0.049 0.000 1.049 273 K CA 1.107 57.415 56.287 0.035 0.000 0.933 273 K CB 0.316 32.837 32.500 0.036 0.000 0.717 273 K HN 0.046 nan 8.250 nan 0.000 0.442 274 E N 1.356 121.587 120.200 0.051 0.000 2.107 274 E HA -0.064 4.286 4.350 -0.000 0.000 0.191 274 E C 1.806 178.461 176.600 0.092 0.000 0.982 274 E CA 0.786 57.225 56.400 0.064 0.000 0.809 274 E CB -0.099 29.635 29.700 0.058 0.000 0.756 274 E HN 0.167 nan 8.360 nan 0.000 0.459 275 L N -0.147 121.138 121.223 0.103 0.000 2.046 275 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 275 L C 2.470 179.389 176.870 0.081 0.000 1.077 275 L CA 1.207 56.151 54.840 0.174 0.000 0.747 275 L CB -0.598 41.565 42.059 0.173 0.000 0.896 275 L HN 0.202 nan 8.230 nan 0.000 0.432 276 A N 0.118 122.950 122.820 0.021 0.000 1.902 276 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 276 A C 2.400 179.986 177.584 0.004 0.000 1.181 276 A CA 2.044 54.073 52.037 -0.013 0.000 0.623 276 A CB -0.467 18.534 19.000 0.001 0.000 0.818 276 A HN 0.352 nan 8.150 nan 0.000 0.443 277 K N -0.372 120.044 120.400 0.026 0.000 2.026 277 K HA -0.245 4.075 4.320 -0.000 0.000 0.208 277 K C 2.047 178.615 176.600 -0.052 0.000 1.048 277 K CA 1.886 58.164 56.287 -0.015 0.000 0.929 277 K CB -0.162 32.368 32.500 0.051 0.000 0.713 277 K HN 0.402 nan 8.250 nan 0.000 0.439 278 E N 0.237 120.479 120.200 0.071 0.000 2.077 278 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 278 E C 1.728 178.455 176.600 0.211 0.000 0.989 278 E CA 1.466 57.978 56.400 0.187 0.000 0.800 278 E CB -0.433 29.472 29.700 0.342 0.000 0.746 278 E HN 0.388 nan 8.360 nan 0.000 0.452 279 F N 0.496 120.339 119.950 -0.179 0.000 2.075 279 F HA -0.121 4.406 4.527 0.000 0.000 0.297 279 F C 1.848 177.553 175.800 -0.157 0.000 1.113 279 F CA 1.633 59.362 58.000 -0.451 0.000 1.218 279 F CB -0.264 38.192 39.000 -0.907 0.000 0.984 279 F HN 0.054 nan 8.300 nan 0.000 0.472 280 L N -0.167 120.931 121.223 -0.208 0.000 2.056 280 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 280 L C 2.407 179.030 176.870 -0.413 0.000 1.078 280 L CA 1.598 56.210 54.840 -0.380 0.000 0.749 280 L CB -0.717 41.003 42.059 -0.566 0.000 0.901 280 L HN 0.169 nan 8.230 nan 0.000 0.433 281 E N -0.114 119.825 120.200 -0.434 0.000 2.076 281 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 281 E C 1.250 177.828 176.600 -0.037 0.000 0.979 281 E CA 0.825 57.001 56.400 -0.374 0.000 0.807 281 E CB 0.085 29.402 29.700 -0.638 0.000 0.761 281 E HN 0.464 nan 8.360 nan 0.000 0.454 282 N N -1.047 117.638 118.700 -0.025 0.000 2.220 282 N HA 0.055 4.794 4.740 -0.000 0.000 0.195 282 N C 0.489 175.846 175.510 -0.255 0.000 1.123 282 N CA 0.385 53.408 53.050 -0.045 0.000 0.874 282 N CB 0.555 39.051 38.487 0.014 0.000 0.995 282 N HN 0.175 nan 8.380 nan 0.000 0.498 283 Y N -0.304 119.882 120.300 -0.189 0.000 2.678 283 Y HA 0.216 4.766 4.550 0.000 0.000 0.274 283 Y C 1.806 177.495 175.900 -0.353 0.000 1.114 283 Y CA -0.213 57.733 58.100 -0.257 0.000 1.274 283 Y CB -0.278 38.003 38.460 -0.299 0.000 1.438 283 Y HN -0.133 nan 8.280 nan 0.000 0.493 284 L N 0.234 121.223 121.223 -0.389 0.000 2.049 284 L HA 0.082 4.422 4.340 -0.000 0.000 0.203 284 L C 0.834 177.629 176.870 -0.125 0.000 1.074 284 L CA 1.784 56.450 54.840 -0.290 0.000 0.749 284 L CB -0.617 41.257 42.059 -0.309 0.000 0.907 284 L HN 0.130 nan 8.230 nan 0.000 0.439 285 L N 1.418 122.599 121.223 -0.071 0.000 2.672 285 L HA 0.178 4.518 4.340 -0.000 0.000 0.238 285 L C -0.095 176.776 176.870 0.002 0.000 1.392 285 L CA -0.063 54.791 54.840 0.023 0.000 1.238 285 L CB -1.270 40.901 42.059 0.186 0.000 1.548 285 L HN 0.425 nan 8.230 nan 0.000 0.423 286 T N -6.443 108.066 114.554 -0.075 0.000 2.901 286 T HA 0.288 4.638 4.350 -0.000 0.000 0.293 286 T C 0.592 175.179 174.700 -0.188 0.000 1.084 286 T CA -0.873 61.164 62.100 -0.105 0.000 1.008 286 T CB 2.011 70.803 68.868 -0.126 0.000 1.170 286 T HN -0.048 nan 8.240 nan 0.000 0.509 287 D N 0.672 120.951 120.400 -0.202 0.000 2.123 287 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 287 D C 2.145 178.131 176.300 -0.523 0.000 0.992 287 D CA 1.715 55.475 54.000 -0.400 0.000 0.833 287 D CB 0.038 40.734 40.800 -0.172 0.000 0.954 287 D HN 0.856 nan 8.370 nan 0.000 0.455 288 E N 0.584 120.619 120.200 -0.276 0.000 2.152 288 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 288 E C 2.221 178.713 176.600 -0.181 0.000 0.983 288 E CA 1.250 57.528 56.400 -0.203 0.000 0.818 288 E CB -0.771 28.860 29.700 -0.114 0.000 0.758 288 E HN 0.258 nan 8.360 nan 0.000 0.467 289 G N 2.129 110.825 108.800 -0.174 0.000 2.404 289 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.215 289 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.215 289 G C 1.840 176.664 174.900 -0.127 0.000 1.174 289 G CA 0.819 45.845 45.100 -0.123 0.000 0.780 289 G HN 0.187 nan 8.290 nan 0.000 0.537 290 L N 0.275 121.382 121.223 -0.194 0.000 2.131 290 L HA -0.034 4.306 4.340 -0.000 0.000 0.210 290 L C 2.723 179.526 176.870 -0.112 0.000 1.092 290 L CA 1.364 56.129 54.840 -0.126 0.000 0.759 290 L CB -0.362 41.650 42.059 -0.078 0.000 0.903 290 L HN 0.371 nan 8.230 nan 0.000 0.435 291 E N 0.647 120.646 120.200 -0.335 0.000 2.085 291 E HA -0.264 4.086 4.350 -0.000 0.000 0.194 291 E C 2.239 178.841 176.600 0.004 0.000 0.994 291 E CA 1.306 57.645 56.400 -0.102 0.000 0.801 291 E CB 0.009 29.610 29.700 -0.164 0.000 0.743 291 E HN 0.457 nan 8.360 nan 0.000 0.453 292 A N 0.454 123.255 122.820 -0.032 0.000 1.902 292 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 292 A C 2.398 179.989 177.584 0.011 0.000 1.181 292 A CA 1.606 53.644 52.037 0.001 0.000 0.623 292 A CB -0.647 18.356 19.000 0.004 0.000 0.818 292 A HN 0.235 nan 8.150 nan 0.000 0.443 293 V N 0.463 120.382 119.914 0.007 0.000 2.307 293 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 293 V C 2.373 178.482 176.094 0.026 0.000 1.045 293 V CA 2.244 64.546 62.300 0.003 0.000 1.024 293 V CB -1.109 30.713 31.823 -0.001 0.000 0.651 293 V HN 0.720 nan 8.190 nan 0.000 0.449 294 N N 0.192 118.936 118.700 0.074 0.000 2.223 294 N HA -0.164 4.576 4.740 -0.000 0.000 0.185 294 N C 1.767 177.338 175.510 0.100 0.000 1.016 294 N CA 1.033 54.151 53.050 0.113 0.000 0.863 294 N CB -0.070 38.545 38.487 0.213 0.000 0.983 294 N HN 0.207 nan 8.380 nan 0.000 0.429 295 K N 0.353 120.805 120.400 0.087 0.000 2.211 295 K HA -0.091 4.229 4.320 -0.000 0.000 0.203 295 K C 1.149 177.775 176.600 0.043 0.000 1.050 295 K CA 0.708 57.040 56.287 0.074 0.000 0.945 295 K CB -0.298 32.241 32.500 0.064 0.000 0.732 295 K HN 0.384 nan 8.250 nan 0.000 0.451 296 D N 0.569 120.976 120.400 0.012 0.000 2.107 296 D HA -0.051 4.588 4.640 -0.000 0.000 0.204 296 D C -0.164 176.120 176.300 -0.028 0.000 0.978 296 D CA 1.271 55.251 54.000 -0.034 0.000 0.852 296 D CB 0.458 41.205 40.800 -0.088 0.000 1.008 296 D HN -0.156 nan 8.370 nan 0.000 0.458 297 K N 0.537 120.924 120.400 -0.022 0.000 2.471 297 K HA 0.418 4.738 4.320 -0.000 0.000 0.252 297 K C -2.639 173.976 176.600 0.026 0.000 0.938 297 K CA -2.188 54.104 56.287 0.009 0.000 0.796 297 K CB 1.918 34.418 32.500 0.000 0.000 1.161 297 K HN -0.009 nan 8.250 nan 0.000 0.425 298 P HA 0.119 nan 4.420 nan 0.000 0.266 298 P C 0.606 177.873 177.300 -0.056 0.000 1.195 298 P CA -0.010 63.092 63.100 0.004 0.000 0.768 298 P CB 0.633 32.336 31.700 0.005 0.000 0.838 299 L N 1.649 122.880 121.223 0.012 0.000 2.375 299 L HA 0.185 4.525 4.340 -0.000 0.000 0.215 299 L C 1.525 178.404 176.870 0.015 0.000 1.108 299 L CA 1.076 55.939 54.840 0.040 0.000 0.830 299 L CB -0.667 41.444 42.059 0.086 0.000 0.959 299 L HN 0.751 nan 8.230 nan 0.000 0.457 300 G N 0.027 108.806 108.800 -0.034 0.000 2.601 300 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.224 300 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.224 300 G C -0.347 174.603 174.900 0.082 0.000 1.171 300 G CA -0.284 44.817 45.100 0.002 0.000 1.009 300 G HN 0.353 nan 8.290 nan 0.000 0.589 301 A N 0.676 123.550 122.820 0.091 0.000 2.366 301 A HA 0.761 5.081 4.320 -0.000 0.000 0.322 301 A C 0.790 178.436 177.584 0.104 0.000 1.397 301 A CA 0.521 52.613 52.037 0.092 0.000 0.984 301 A CB 0.049 19.100 19.000 0.085 0.000 1.149 301 A HN 2.282 nan 8.150 nan 0.000 0.540 302 V N 0.629 120.614 119.914 0.118 0.000 2.963 302 V HA 0.453 4.573 4.120 -0.000 0.000 0.306 302 V C 1.239 177.422 176.094 0.148 0.000 1.077 302 V CA 0.430 62.808 62.300 0.131 0.000 1.124 302 V CB 0.578 32.513 31.823 0.187 0.000 0.987 302 V HN 1.083 nan 8.190 nan 0.000 0.487 303 A N 3.217 126.073 122.820 0.060 0.000 2.067 303 A HA 0.208 4.528 4.320 -0.000 0.000 0.217 303 A C 1.145 178.709 177.584 -0.034 0.000 1.156 303 A CA 0.560 52.601 52.037 0.007 0.000 0.683 303 A CB -0.453 18.423 19.000 -0.206 0.000 0.808 303 A HN 1.028 nan 8.150 nan 0.000 0.455 304 L N 0.807 122.013 121.223 -0.029 0.000 2.369 304 L HA 0.194 4.534 4.340 -0.000 0.000 0.279 304 L C 1.033 177.852 176.870 -0.084 0.000 1.108 304 L CA 0.135 54.916 54.840 -0.099 0.000 0.852 304 L CB 0.412 42.453 42.059 -0.030 0.000 1.169 304 L HN 0.260 nan 8.230 nan 0.000 0.452 305 K N 1.702 121.917 120.400 -0.308 0.000 2.032 305 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 305 K C 2.018 178.590 176.600 -0.048 0.000 1.048 305 K CA 1.842 57.925 56.287 -0.339 0.000 0.927 305 K CB -0.245 31.963 32.500 -0.487 0.000 0.712 305 K HN 0.903 nan 8.250 nan 0.000 0.441 306 S N 0.481 116.161 115.700 -0.033 0.000 2.359 306 S HA -0.235 4.235 4.470 -0.000 0.000 0.224 306 S C 2.078 176.753 174.600 0.126 0.000 1.035 306 S CA 1.203 59.426 58.200 0.038 0.000 1.018 306 S CB -0.652 62.564 63.200 0.026 0.000 0.876 306 S HN 0.352 nan 8.310 nan 0.000 0.448 307 Y N 2.180 122.479 120.300 -0.002 0.000 2.365 307 Y HA 0.181 4.731 4.550 -0.000 0.000 0.293 307 Y C 2.628 178.563 175.900 0.058 0.000 1.119 307 Y CA 0.950 59.064 58.100 0.023 0.000 1.203 307 Y CB -0.355 38.114 38.460 0.015 0.000 1.026 307 Y HN 0.272 nan 8.280 nan 0.000 0.549 308 E N 0.920 121.172 120.200 0.087 0.000 2.077 308 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 308 E C 1.702 178.318 176.600 0.026 0.000 0.989 308 E CA 1.678 58.121 56.400 0.071 0.000 0.800 308 E CB 0.004 29.876 29.700 0.287 0.000 0.746 308 E HN 0.665 nan 8.360 nan 0.000 0.452 309 E N 0.410 120.649 120.200 0.064 0.000 2.077 309 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 309 E C 2.102 178.692 176.600 -0.016 0.000 0.989 309 E CA 1.223 57.648 56.400 0.042 0.000 0.800 309 E CB -0.144 29.591 29.700 0.057 0.000 0.746 309 E HN 0.356 nan 8.360 nan 0.000 0.452 310 E N 0.693 120.860 120.200 -0.055 0.000 2.110 310 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 310 E C 1.759 178.269 176.600 -0.150 0.000 0.988 310 E CA 0.820 57.167 56.400 -0.088 0.000 0.804 310 E CB 0.101 29.762 29.700 -0.065 0.000 0.745 310 E HN 0.245 nan 8.360 nan 0.000 0.458 311 L N -0.189 120.891 121.223 -0.239 0.000 2.554 311 L HA 0.221 4.560 4.340 -0.000 0.000 0.225 311 L C 2.348 179.167 176.870 -0.083 0.000 1.104 311 L CA 0.302 55.026 54.840 -0.193 0.000 0.866 311 L CB -0.023 41.867 42.059 -0.282 0.000 1.047 311 L HN 0.138 nan 8.230 nan 0.000 0.468 312 A N 1.731 124.517 122.820 -0.056 0.000 2.076 312 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 312 A C 2.291 179.861 177.584 -0.023 0.000 1.160 312 A CA 1.766 53.790 52.037 -0.022 0.000 0.653 312 A CB -0.403 18.595 19.000 -0.004 0.000 0.801 312 A HN 0.563 nan 8.150 nan 0.000 0.455 313 K N -0.231 120.150 120.400 -0.032 0.000 2.362 313 K HA -0.095 4.225 4.320 -0.000 0.000 0.200 313 K C -0.009 176.564 176.600 -0.044 0.000 1.046 313 K CA 0.744 57.011 56.287 -0.034 0.000 0.952 313 K CB -0.320 32.160 32.500 -0.032 0.000 0.753 313 K HN 0.274 nan 8.250 nan 0.000 0.466 314 D N 3.100 123.473 120.400 -0.044 0.000 2.382 314 D HA 0.028 4.668 4.640 -0.000 0.000 0.259 314 D C -1.394 174.858 176.300 -0.081 0.000 1.224 314 D CA -2.178 51.784 54.000 -0.064 0.000 0.894 314 D CB 1.442 42.220 40.800 -0.037 0.000 1.127 314 D HN 0.032 nan 8.370 nan 0.000 0.487 315 P HA -0.117 nan 4.420 nan 0.000 0.222 315 P C 1.032 178.244 177.300 -0.146 0.000 1.147 315 P CA 0.821 63.853 63.100 -0.114 0.000 0.790 315 P CB 0.381 32.005 31.700 -0.127 0.000 0.780 316 R N -0.415 119.929 120.500 -0.260 0.000 2.090 316 R HA 0.043 4.383 4.340 -0.000 0.000 0.228 316 R C 2.555 178.815 176.300 -0.067 0.000 1.110 316 R CA 1.001 56.853 56.100 -0.414 0.000 0.973 316 R CB -0.697 28.906 30.300 -1.162 0.000 0.869 316 R HN 0.241 nan 8.270 nan 0.000 0.440 317 I N 0.695 121.297 120.570 0.054 0.000 2.252 317 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 317 I C 2.591 178.763 176.117 0.091 0.000 1.102 317 I CA 1.007 62.421 61.300 0.189 0.000 1.385 317 I CB -0.437 37.651 38.000 0.147 0.000 1.064 317 I HN 0.172 nan 8.210 nan 0.000 0.414 318 A N 1.023 123.858 122.820 0.024 0.000 1.908 318 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 318 A C 2.557 180.149 177.584 0.013 0.000 1.181 318 A CA 1.978 54.018 52.037 0.006 0.000 0.627 318 A CB -0.788 18.200 19.000 -0.020 0.000 0.818 318 A HN 0.433 nan 8.150 nan 0.000 0.445 319 A N -1.098 121.730 122.820 0.013 0.000 1.902 319 A HA -0.071 4.248 4.320 -0.000 0.000 0.217 319 A C 2.291 179.911 177.584 0.061 0.000 1.181 319 A CA 2.244 54.295 52.037 0.024 0.000 0.623 319 A CB -1.271 17.735 19.000 0.011 0.000 0.818 319 A HN 0.433 nan 8.150 nan 0.000 0.443 320 T N 0.136 114.762 114.554 0.120 0.000 2.720 320 T HA -0.154 4.195 4.350 -0.000 0.000 0.268 320 T C 1.917 176.666 174.700 0.082 0.000 1.037 320 T CA 1.713 63.894 62.100 0.134 0.000 1.144 320 T CB -0.248 68.742 68.868 0.202 0.000 0.864 320 T HN 0.294 nan 8.240 nan 0.000 0.444 321 M N 0.895 120.531 119.600 0.061 0.000 2.254 321 M HA 0.053 4.533 4.480 -0.000 0.000 0.265 321 M C 2.277 178.578 176.300 0.003 0.000 1.066 321 M CA 1.050 56.365 55.300 0.025 0.000 1.123 321 M CB -1.024 31.576 32.600 0.000 0.000 1.388 321 M HN 0.386 nan 8.290 nan 0.000 0.425 322 E N 0.616 120.819 120.200 0.004 0.000 2.058 322 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 322 E C 1.739 178.339 176.600 -0.000 0.000 0.997 322 E CA 1.193 57.589 56.400 -0.007 0.000 0.801 322 E CB 0.144 29.838 29.700 -0.008 0.000 0.746 322 E HN 0.444 nan 8.360 nan 0.000 0.450 323 N N 0.363 119.072 118.700 0.015 0.000 2.142 323 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 323 N C 1.777 177.305 175.510 0.030 0.000 1.023 323 N CA 1.237 54.298 53.050 0.019 0.000 0.852 323 N CB -0.398 38.103 38.487 0.023 0.000 0.998 323 N HN 0.227 nan 8.380 nan 0.000 0.424 324 A N 1.362 124.209 122.820 0.045 0.000 1.917 324 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 324 A C 2.006 179.609 177.584 0.032 0.000 1.182 324 A CA 1.449 53.524 52.037 0.064 0.000 0.633 324 A CB -0.616 18.430 19.000 0.077 0.000 0.819 324 A HN 0.396 nan 8.150 nan 0.000 0.448 325 Q N -1.039 118.758 119.800 -0.005 0.000 2.472 325 Q HA 0.021 4.361 4.340 -0.000 0.000 0.208 325 Q C 1.372 177.362 176.000 -0.017 0.000 0.958 325 Q CA 0.754 56.538 55.803 -0.033 0.000 0.932 325 Q CB 0.054 28.753 28.738 -0.064 0.000 1.007 325 Q HN 0.629 nan 8.270 nan 0.000 0.508 326 K N -0.284 120.115 120.400 -0.003 0.000 2.379 326 K HA 0.092 4.412 4.320 -0.000 0.000 0.194 326 K C 0.833 177.438 176.600 0.009 0.000 1.031 326 K CA 0.222 56.509 56.287 -0.001 0.000 1.037 326 K CB 0.736 33.234 32.500 -0.002 0.000 0.824 326 K HN 0.112 nan 8.250 nan 0.000 0.516 327 G N 0.454 109.270 108.800 0.027 0.000 2.702 327 G HA2 0.270 4.230 3.960 -0.000 0.000 0.254 327 G HA3 0.270 4.230 3.960 -0.000 0.000 0.254 327 G C -0.734 174.211 174.900 0.074 0.000 1.380 327 G CA -0.439 44.685 45.100 0.040 0.000 1.042 327 G HN -0.093 nan 8.290 nan 0.000 0.557 328 E N -0.764 119.511 120.200 0.125 0.000 2.238 328 E HA 0.323 4.673 4.350 -0.000 0.000 0.267 328 E C -0.893 175.937 176.600 0.384 0.000 0.887 328 E CA -0.896 55.633 56.400 0.214 0.000 0.769 328 E CB 2.908 32.745 29.700 0.229 0.000 1.187 328 E HN 0.287 nan 8.360 nan 0.000 0.416 329 I N 1.838 122.596 120.570 0.312 0.000 2.710 329 I HA -0.040 4.130 4.170 -0.000 0.000 0.286 329 I C 0.430 176.792 176.117 0.409 0.000 1.181 329 I CA 0.328 61.840 61.300 0.354 0.000 1.430 329 I CB 0.251 38.394 38.000 0.239 0.000 1.367 329 I HN 0.443 nan 8.210 nan 0.000 0.577 330 M N 8.968 128.773 119.600 0.341 0.000 2.239 330 M HA 0.202 4.682 4.480 -0.000 0.000 0.348 330 M C -2.062 174.250 176.300 0.021 0.000 1.239 330 M CA -1.301 53.925 55.300 -0.124 0.000 1.114 330 M CB 0.050 32.425 32.600 -0.375 0.000 1.641 330 M HN 0.394 nan 8.290 nan 0.000 0.453 331 P HA 0.042 nan 4.420 nan 0.000 0.270 331 P C -0.369 176.832 177.300 -0.165 0.000 1.223 331 P CA -0.048 62.858 63.100 -0.323 0.000 0.785 331 P CB 0.349 31.507 31.700 -0.904 0.000 0.923 332 N N 1.246 119.953 118.700 0.012 0.000 2.203 332 N HA 0.038 4.778 4.740 -0.000 0.000 0.207 332 N C 0.420 175.924 175.510 -0.011 0.000 1.130 332 N CA -0.237 52.838 53.050 0.042 0.000 0.861 332 N CB -0.834 37.790 38.487 0.228 0.000 1.005 332 N HN 0.402 nan 8.380 nan 0.000 0.507 333 I N -2.731 117.800 120.570 -0.065 0.000 2.836 333 I HA 0.255 4.425 4.170 -0.000 0.000 0.285 333 I C -1.552 174.493 176.117 -0.120 0.000 1.174 333 I CA -1.564 59.717 61.300 -0.032 0.000 1.405 333 I CB 0.436 38.344 38.000 -0.154 0.000 1.385 333 I HN -0.284 nan 8.210 nan 0.000 0.594 334 P HA -0.145 nan 4.420 nan 0.000 0.219 334 P C 1.032 178.295 177.300 -0.062 0.000 1.146 334 P CA 1.338 64.389 63.100 -0.082 0.000 0.808 334 P CB 0.040 31.726 31.700 -0.022 0.000 0.779 335 Q N -1.944 117.787 119.800 -0.115 0.000 2.500 335 Q HA -0.001 4.339 4.340 -0.000 0.000 0.213 335 Q C 1.869 177.910 176.000 0.069 0.000 0.974 335 Q CA 0.879 56.648 55.803 -0.056 0.000 0.918 335 Q CB -0.734 27.865 28.738 -0.232 0.000 0.980 335 Q HN 0.210 nan 8.270 nan 0.000 0.505 336 M N -0.621 118.961 119.600 -0.030 0.000 2.159 336 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 336 M C 1.845 178.215 176.300 0.117 0.000 1.063 336 M CA 1.249 56.556 55.300 0.012 0.000 1.110 336 M CB -0.767 31.759 32.600 -0.123 0.000 1.374 336 M HN 0.129 nan 8.290 nan 0.000 0.411 337 S N 0.830 116.596 115.700 0.110 0.000 2.359 337 S HA -0.111 4.359 4.470 -0.000 0.000 0.224 337 S C 2.038 176.767 174.600 0.215 0.000 1.035 337 S CA 1.503 59.774 58.200 0.117 0.000 1.018 337 S CB -0.329 62.960 63.200 0.149 0.000 0.876 337 S HN 0.590 nan 8.310 nan 0.000 0.448 338 A N 0.724 123.710 122.820 0.277 0.000 1.933 338 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 338 A C 1.902 179.631 177.584 0.243 0.000 1.175 338 A CA 1.444 53.666 52.037 0.307 0.000 0.628 338 A CB -0.822 18.323 19.000 0.242 0.000 0.814 338 A HN 0.547 nan 8.150 nan 0.000 0.444 339 F N -0.863 119.120 119.950 0.054 0.000 2.102 339 F HA -0.189 4.338 4.527 0.000 0.000 0.298 339 F C 2.032 177.756 175.800 -0.127 0.000 1.105 339 F CA 1.793 59.714 58.000 -0.132 0.000 1.239 339 F CB -0.514 38.277 39.000 -0.348 0.000 0.991 339 F HN 0.386 nan 8.300 nan 0.000 0.474 340 W N -0.955 120.237 121.300 -0.181 0.000 2.358 340 W HA -0.216 4.444 4.660 -0.000 0.000 0.303 340 W C 2.350 178.708 176.519 -0.270 0.000 1.208 340 W CA 1.007 58.140 57.345 -0.352 0.000 1.274 340 W CB -0.765 28.547 29.460 -0.247 0.000 1.138 340 W HN 0.055 nan 8.180 nan 0.000 0.515 341 Y N 0.137 120.532 120.300 0.159 0.000 2.181 341 Y HA -0.239 4.311 4.550 -0.000 0.000 0.288 341 Y C 2.452 178.366 175.900 0.023 0.000 1.146 341 Y CA 1.449 59.600 58.100 0.085 0.000 1.164 341 Y CB -1.502 37.002 38.460 0.075 0.000 0.982 341 Y HN -0.055 nan 8.280 nan 0.000 0.515 342 A N -0.423 122.471 122.820 0.123 0.000 1.877 342 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 342 A C 2.409 179.976 177.584 -0.029 0.000 1.186 342 A CA 2.092 54.148 52.037 0.031 0.000 0.620 342 A CB -1.188 17.809 19.000 -0.005 0.000 0.822 342 A HN 0.243 nan 8.150 nan 0.000 0.443 343 V N 0.031 119.846 119.914 -0.166 0.000 2.548 343 V HA -0.206 3.914 4.120 -0.000 0.000 0.249 343 V C 2.587 178.714 176.094 0.055 0.000 1.055 343 V CA 2.019 64.254 62.300 -0.109 0.000 1.065 343 V CB -0.865 30.762 31.823 -0.326 0.000 0.681 343 V HN 0.657 nan 8.190 nan 0.000 0.462 344 R N 0.220 120.777 120.500 0.096 0.000 2.083 344 R HA -0.198 4.142 4.340 -0.000 0.000 0.237 344 R C 2.353 178.719 176.300 0.109 0.000 1.137 344 R CA 2.309 58.491 56.100 0.137 0.000 0.951 344 R CB -0.557 29.836 30.300 0.154 0.000 0.851 344 R HN 0.510 nan 8.270 nan 0.000 0.434 345 T N 0.667 115.279 114.554 0.097 0.000 2.746 345 T HA -0.123 4.226 4.350 -0.000 0.000 0.267 345 T C 1.815 176.551 174.700 0.060 0.000 1.039 345 T CA 1.405 63.550 62.100 0.075 0.000 1.142 345 T CB -0.330 68.579 68.868 0.069 0.000 0.866 345 T HN 0.493 nan 8.240 nan 0.000 0.444 346 A N 0.940 123.794 122.820 0.057 0.000 1.877 346 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 346 A C 2.591 180.209 177.584 0.056 0.000 1.186 346 A CA 1.521 53.588 52.037 0.050 0.000 0.620 346 A CB -1.014 18.014 19.000 0.047 0.000 0.822 346 A HN 0.363 nan 8.150 nan 0.000 0.443 347 V N 0.047 120.008 119.914 0.078 0.000 2.358 347 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 347 V C 2.410 178.538 176.094 0.057 0.000 1.047 347 V CA 1.857 64.205 62.300 0.079 0.000 1.035 347 V CB -0.652 31.246 31.823 0.125 0.000 0.658 347 V HN 0.557 nan 8.190 nan 0.000 0.452 348 I N 0.572 121.178 120.570 0.060 0.000 2.179 348 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 348 I C 2.338 178.473 176.117 0.029 0.000 1.088 348 I CA 1.486 62.811 61.300 0.042 0.000 1.357 348 I CB -0.424 37.605 38.000 0.048 0.000 1.051 348 I HN 0.361 nan 8.210 nan 0.000 0.409 349 N N 0.964 119.683 118.700 0.031 0.000 2.188 349 N HA -0.083 4.657 4.740 -0.000 0.000 0.184 349 N C 1.815 177.335 175.510 0.017 0.000 1.018 349 N CA 1.486 54.550 53.050 0.023 0.000 0.858 349 N CB -0.335 38.168 38.487 0.025 0.000 0.989 349 N HN 0.337 nan 8.380 nan 0.000 0.426 350 A N 0.730 123.562 122.820 0.019 0.000 1.897 350 A HA 0.168 4.488 4.320 -0.000 0.000 0.215 350 A C 2.264 179.850 177.584 0.003 0.000 1.181 350 A CA 1.552 53.596 52.037 0.012 0.000 0.620 350 A CB -0.736 18.272 19.000 0.014 0.000 0.821 350 A HN 0.271 nan 8.150 nan 0.000 0.443 351 A N 0.301 123.123 122.820 0.004 0.000 2.015 351 A HA -0.045 4.275 4.320 -0.000 0.000 0.219 351 A C 2.370 179.946 177.584 -0.012 0.000 1.163 351 A CA 2.077 54.108 52.037 -0.009 0.000 0.646 351 A CB -0.710 18.284 19.000 -0.010 0.000 0.806 351 A HN 0.962 nan 8.150 nan 0.000 0.448 352 S N -2.254 113.443 115.700 -0.005 0.000 2.528 352 S HA 0.358 4.827 4.470 -0.000 0.000 0.219 352 S C 1.509 176.105 174.600 -0.007 0.000 0.985 352 S CA 1.146 59.342 58.200 -0.006 0.000 0.914 352 S CB -0.190 63.010 63.200 -0.000 0.000 0.776 352 S HN 1.871 nan 8.310 nan 0.000 0.526 353 G N 1.603 110.399 108.800 -0.005 0.000 2.176 353 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.253 353 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.253 353 G C 0.934 175.834 174.900 -0.000 0.000 0.979 353 G CA 0.319 45.416 45.100 -0.005 0.000 0.641 353 G HN 0.500 nan 8.290 nan 0.000 0.530 354 R N -0.234 120.267 120.500 0.003 0.000 2.189 354 R HA 0.134 4.474 4.340 -0.000 0.000 0.218 354 R C 1.217 177.522 176.300 0.009 0.000 1.074 354 R CA 1.296 57.400 56.100 0.006 0.000 0.991 354 R CB 0.166 30.471 30.300 0.008 0.000 0.883 354 R HN 0.576 nan 8.270 nan 0.000 0.457 355 Q N -0.081 119.724 119.800 0.009 0.000 2.379 355 Q HA 0.145 4.485 4.340 -0.000 0.000 0.278 355 Q C -1.033 174.973 176.000 0.011 0.000 1.068 355 Q CA -0.594 55.216 55.803 0.012 0.000 0.816 355 Q CB 2.116 30.863 28.738 0.016 0.000 1.387 355 Q HN 0.069 nan 8.270 nan 0.000 0.413 356 T N -1.350 113.211 114.554 0.011 0.000 2.900 356 T HA 0.098 4.448 4.350 -0.000 0.000 0.307 356 T C 1.299 176.007 174.700 0.013 0.000 1.065 356 T CA -0.470 61.637 62.100 0.011 0.000 1.105 356 T CB 0.734 69.609 68.868 0.012 0.000 0.979 356 T HN 0.409 nan 8.240 nan 0.000 0.544 357 V N 1.724 121.645 119.914 0.011 0.000 2.282 357 V HA -0.180 3.940 4.120 -0.000 0.000 0.249 357 V C 2.510 178.614 176.094 0.016 0.000 1.057 357 V CA 2.299 64.607 62.300 0.013 0.000 1.032 357 V CB -0.823 31.006 31.823 0.011 0.000 0.645 357 V HN 0.895 nan 8.190 nan 0.000 0.447 358 D N 0.123 120.533 120.400 0.016 0.000 2.117 358 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 358 D C 2.181 178.493 176.300 0.019 0.000 0.987 358 D CA 1.653 55.663 54.000 0.017 0.000 0.829 358 D CB -0.358 40.452 40.800 0.018 0.000 0.961 358 D HN 0.458 nan 8.370 nan 0.000 0.460 359 A N 0.804 123.635 122.820 0.019 0.000 1.897 359 A HA 0.064 4.384 4.320 -0.000 0.000 0.215 359 A C 2.280 179.878 177.584 0.023 0.000 1.181 359 A CA 1.903 53.952 52.037 0.021 0.000 0.620 359 A CB -0.682 18.330 19.000 0.019 0.000 0.821 359 A HN 0.215 nan 8.150 nan 0.000 0.443 360 A N -0.075 122.758 122.820 0.023 0.000 1.877 360 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 360 A C 2.158 179.759 177.584 0.028 0.000 1.186 360 A CA 1.579 53.632 52.037 0.026 0.000 0.620 360 A CB -0.635 18.381 19.000 0.027 0.000 0.822 360 A HN 0.464 nan 8.150 nan 0.000 0.443 361 L N -0.959 120.279 121.223 0.026 0.000 2.156 361 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 361 L C 3.071 179.956 176.870 0.024 0.000 1.095 361 L CA 0.790 55.647 54.840 0.027 0.000 0.770 361 L CB -0.537 41.536 42.059 0.023 0.000 0.914 361 L HN 0.447 nan 8.230 nan 0.000 0.439 362 A N 0.323 123.157 122.820 0.023 0.000 1.908 362 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 362 A C 2.542 180.144 177.584 0.030 0.000 1.181 362 A CA 1.849 53.901 52.037 0.025 0.000 0.627 362 A CB -0.676 18.338 19.000 0.025 0.000 0.818 362 A HN 0.393 nan 8.150 nan 0.000 0.445 363 A N -0.284 122.554 122.820 0.031 0.000 1.898 363 A HA 0.192 4.512 4.320 -0.000 0.000 0.216 363 A C 2.497 180.103 177.584 0.037 0.000 1.181 363 A CA 2.017 54.075 52.037 0.035 0.000 0.620 363 A CB -0.970 18.050 19.000 0.034 0.000 0.819 363 A HN 1.051 nan 8.150 nan 0.000 0.442 364 A N -0.754 122.085 122.820 0.030 0.000 1.902 364 A HA -0.180 4.139 4.320 -0.000 0.000 0.217 364 A C 2.149 179.748 177.584 0.024 0.000 1.181 364 A CA 2.087 54.137 52.037 0.022 0.000 0.623 364 A CB -0.548 18.457 19.000 0.008 0.000 0.818 364 A HN 0.568 nan 8.150 nan 0.000 0.443 365 Q N -0.224 119.592 119.800 0.026 0.000 2.061 365 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 365 Q C 2.002 178.030 176.000 0.046 0.000 0.984 365 Q CA 2.803 58.622 55.803 0.027 0.000 0.846 365 Q CB -0.938 27.811 28.738 0.018 0.000 0.902 365 Q HN 0.547 nan 8.270 nan 0.000 0.421 366 T N 1.054 115.637 114.554 0.048 0.000 2.708 366 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 366 T C 1.476 176.220 174.700 0.073 0.000 1.037 366 T CA 1.366 63.502 62.100 0.060 0.000 1.146 366 T CB -0.350 68.552 68.868 0.055 0.000 0.865 366 T HN 0.359 nan 8.240 nan 0.000 0.435 367 N N 1.462 120.204 118.700 0.070 0.000 2.142 367 N HA 0.018 4.758 4.740 -0.000 0.000 0.186 367 N C 2.118 177.694 175.510 0.110 0.000 1.023 367 N CA 1.293 54.394 53.050 0.084 0.000 0.852 367 N CB -0.577 37.955 38.487 0.075 0.000 0.998 367 N HN 0.422 nan 8.380 nan 0.000 0.424 368 A N 0.603 123.486 122.820 0.104 0.000 1.969 368 A HA 0.129 4.449 4.320 -0.000 0.000 0.218 368 A C 2.092 179.801 177.584 0.208 0.000 1.169 368 A CA 1.668 53.797 52.037 0.155 0.000 0.635 368 A CB -0.418 18.645 19.000 0.106 0.000 0.810 368 A HN 0.310 nan 8.150 nan 0.000 0.445 369 A N -0.843 122.070 122.820 0.157 0.000 2.275 369 A HA 0.627 4.947 4.320 -0.000 0.000 0.212 369 A C 1.257 178.926 177.584 0.142 0.000 1.201 369 A CA 0.601 52.743 52.037 0.175 0.000 0.843 369 A CB -0.706 18.372 19.000 0.131 0.000 0.873 369 A HN 0.908 nan 8.150 nan 0.000 0.492 370 A N 0.439 123.334 122.820 0.125 0.000 2.498 370 A HA 0.523 4.843 4.320 -0.000 0.000 0.239 370 A C 0.896 178.538 177.584 0.098 0.000 1.068 370 A CA 0.190 52.288 52.037 0.103 0.000 0.766 370 A CB -0.282 18.778 19.000 0.101 0.000 1.003 370 A HN 1.403 nan 8.150 nan 0.000 0.497 371 A N 3.117 125.982 122.820 0.075 0.000 2.540 371 A HA 0.438 4.758 4.320 -0.000 0.000 0.239 371 A C 1.064 178.685 177.584 0.062 0.000 1.061 371 A CA 0.364 52.435 52.037 0.057 0.000 0.758 371 A CB -0.302 18.718 19.000 0.033 0.000 0.991 371 A HN 0.992 nan 8.150 nan 0.000 0.502 1024 Q N 1.785 121.614 119.800 0.049 0.000 2.288 1024 Q HA 0.239 4.579 4.340 -0.000 0.000 0.258 1024 Q C -0.546 175.568 176.000 0.190 0.000 0.957 1024 Q CA -0.465 55.409 55.803 0.118 0.000 0.919 1024 Q CB 0.463 29.291 28.738 0.150 0.000 1.185 1024 Q HN 0.667 nan 8.270 nan 0.000 0.408 1025 N N 4.985 123.771 118.700 0.143 0.000 2.452 1025 N HA 0.167 4.907 4.740 -0.000 0.000 0.266 1025 N C -0.754 174.839 175.510 0.138 0.000 1.175 1025 N CA 0.262 53.392 53.050 0.134 0.000 0.945 1025 N CB 0.563 39.102 38.487 0.086 0.000 1.063 1025 N HN 0.526 nan 8.380 nan 0.000 0.472 1026 I N 1.676 122.332 120.570 0.143 0.000 2.474 1026 I HA 0.283 4.453 4.170 -0.000 0.000 0.294 1026 I C 0.583 176.752 176.117 0.087 0.000 1.005 1026 I CA -0.604 60.754 61.300 0.096 0.000 1.113 1026 I CB 1.550 39.578 38.000 0.047 0.000 1.289 1026 I HN 0.369 nan 8.210 nan 0.000 0.436 1027 T N 2.144 116.751 114.554 0.088 0.000 2.887 1027 T HA 0.937 5.287 4.350 -0.000 0.000 0.288 1027 T C -0.577 174.225 174.700 0.171 0.000 1.021 1027 T CA -0.807 61.384 62.100 0.151 0.000 1.000 1027 T CB 2.516 71.477 68.868 0.155 0.000 1.034 1027 T HN 0.809 nan 8.240 nan 0.000 0.467 1028 A N 2.081 125.017 122.820 0.193 0.000 2.549 1028 A HA 0.777 5.097 4.320 -0.000 0.000 0.297 1028 A C -0.431 177.061 177.584 -0.153 0.000 1.061 1028 A CA -1.092 50.979 52.037 0.057 0.000 0.690 1028 A CB 1.591 20.556 19.000 -0.058 0.000 1.287 1028 A HN 0.995 nan 8.150 nan 0.000 0.402 1029 R N 1.944 122.207 120.500 -0.396 0.000 2.340 1029 R HA 0.457 4.797 4.340 -0.000 0.000 0.300 1029 R C -0.512 175.545 176.300 -0.405 0.000 1.069 1029 R CA -0.439 55.182 56.100 -0.797 0.000 0.984 1029 R CB 0.184 30.087 30.300 -0.662 0.000 1.003 1029 R HN 0.681 nan 8.270 nan 0.000 0.459 1030 I N 4.407 124.759 120.570 -0.364 0.000 2.821 1030 I HA -0.152 4.018 4.170 -0.000 0.000 0.294 1030 I C 1.431 177.424 176.117 -0.207 0.000 1.210 1030 I CA 1.841 62.999 61.300 -0.237 0.000 1.430 1030 I CB 0.524 38.400 38.000 -0.207 0.000 1.356 1030 I HN 1.101 nan 8.210 nan 0.000 0.563 1031 G N 4.170 112.862 108.800 -0.178 0.000 2.213 1031 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.236 1031 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.236 1031 G C 0.099 174.913 174.900 -0.143 0.000 0.991 1031 G CA -0.355 44.654 45.100 -0.152 0.000 0.629 1031 G HN 0.618 nan 8.290 nan 0.000 0.517 1032 E N 1.227 121.332 120.200 -0.158 0.000 2.227 1032 E HA 0.497 4.847 4.350 -0.000 0.000 0.268 1032 E C -2.558 173.943 176.600 -0.165 0.000 0.990 1032 E CA -2.058 54.260 56.400 -0.136 0.000 0.856 1032 E CB 1.666 31.291 29.700 -0.124 0.000 1.159 1032 E HN 0.148 nan 8.360 nan 0.000 0.401 1033 P HA 0.155 nan 4.420 nan 0.000 0.274 1033 P C -1.137 176.030 177.300 -0.222 0.000 1.237 1033 P CA -0.421 62.527 63.100 -0.253 0.000 0.793 1033 P CB 0.516 32.143 31.700 -0.122 0.000 0.977 1034 L N 2.052 123.077 121.223 -0.330 0.000 2.436 1034 L HA 0.531 4.871 4.340 -0.000 0.000 0.268 1034 L C -1.525 175.202 176.870 -0.237 0.000 0.974 1034 L CA -0.642 54.048 54.840 -0.251 0.000 0.826 1034 L CB 2.155 44.039 42.059 -0.292 0.000 1.291 1034 L HN 0.044 nan 8.230 nan 0.000 0.406 1035 V N 6.009 125.850 119.914 -0.121 0.000 2.448 1035 V HA 0.538 4.658 4.120 -0.000 0.000 0.295 1035 V C -0.384 175.609 176.094 -0.169 0.000 1.025 1035 V CA -0.485 61.782 62.300 -0.055 0.000 0.859 1035 V CB 1.674 33.539 31.823 0.070 0.000 0.988 1035 V HN 0.619 nan 8.190 nan 0.000 0.431 1036 L N 4.544 125.629 121.223 -0.231 0.000 2.325 1036 L HA 0.554 4.894 4.340 -0.000 0.000 0.281 1036 L C 0.083 177.008 176.870 0.092 0.000 1.004 1036 L CA -0.571 54.087 54.840 -0.303 0.000 0.823 1036 L CB 1.761 43.494 42.059 -0.543 0.000 1.236 1036 L HN 0.565 nan 8.230 nan 0.000 0.415 1037 K N 2.027 122.538 120.400 0.185 0.000 2.350 1037 K HA 0.139 4.459 4.320 -0.000 0.000 0.279 1037 K C -0.545 176.363 176.600 0.512 0.000 1.027 1037 K CA -0.370 56.115 56.287 0.330 0.000 0.969 1037 K CB 1.019 33.667 32.500 0.248 0.000 0.954 1037 K HN 0.644 nan 8.250 nan 0.000 0.474 1038 c N 6.779 125.631 118.600 0.420 0.000 2.135 1038 c HA 0.274 4.844 4.570 -0.000 0.000 0.345 1038 c C -0.228 173.916 174.090 0.090 0.000 1.067 1038 c CA -0.796 55.637 56.329 0.174 0.000 1.517 1038 c CB -1.334 41.233 42.510 0.094 0.000 1.923 1038 c HN 0.766 nan 8.230 nan 0.000 0.466 1039 K N 3.137 123.581 120.400 0.074 0.000 2.448 1039 K HA 0.364 4.684 4.320 -0.000 0.000 0.278 1039 K C 1.320 177.923 176.600 0.004 0.000 1.009 1039 K CA 1.141 57.456 56.287 0.048 0.000 0.995 1039 K CB 0.382 32.906 32.500 0.039 0.000 0.917 1039 K HN 1.038 nan 8.250 nan 0.000 0.481 1040 G N 1.160 109.969 108.800 0.014 0.000 2.234 1040 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.235 1040 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.235 1040 G C 0.238 175.140 174.900 0.004 0.000 0.997 1040 G CA -0.052 45.048 45.100 -0.000 0.000 0.623 1040 G HN 0.859 nan 8.290 nan 0.000 0.514 1041 A N 1.511 124.340 122.820 0.015 0.000 2.425 1041 A HA 0.650 4.970 4.320 -0.000 0.000 0.249 1041 A C -1.099 176.505 177.584 0.032 0.000 1.084 1041 A CA -0.316 51.735 52.037 0.024 0.000 0.781 1041 A CB -0.007 19.022 19.000 0.049 0.000 1.019 1041 A HN 0.254 nan 8.150 nan 0.000 0.490 1042 P HA 0.108 nan 4.420 nan 0.000 0.269 1042 P C 0.371 177.692 177.300 0.035 0.000 1.217 1042 P CA -0.087 63.029 63.100 0.027 0.000 0.783 1042 P CB 0.467 32.180 31.700 0.022 0.000 0.898 1043 K N 0.221 120.639 120.400 0.031 0.000 2.288 1043 K HA 0.002 4.322 4.320 -0.000 0.000 0.201 1043 K C 0.519 177.138 176.600 0.031 0.000 1.048 1043 K CA 1.121 57.427 56.287 0.033 0.000 0.956 1043 K CB 0.111 32.626 32.500 0.025 0.000 0.746 1043 K HN 0.324 nan 8.250 nan 0.000 0.461 1044 K N -0.140 120.277 120.400 0.028 0.000 2.509 1044 K HA 0.381 4.700 4.320 -0.000 0.000 0.266 1044 K C -2.883 173.734 176.600 0.028 0.000 0.987 1044 K CA -2.459 53.844 56.287 0.026 0.000 0.868 1044 K CB 1.394 33.905 32.500 0.018 0.000 1.421 1044 K HN -0.327 nan 8.250 nan 0.000 0.444 1045 P HA 0.150 nan 4.420 nan 0.000 0.270 1045 P C -2.234 175.078 177.300 0.022 0.000 1.223 1045 P CA -0.725 62.393 63.100 0.029 0.000 0.785 1045 P CB -0.302 31.416 31.700 0.030 0.000 0.923 1046 P HA 0.260 nan 4.420 nan 0.000 0.279 1046 P C -1.133 176.181 177.300 0.023 0.000 1.239 1046 P CA -0.185 62.928 63.100 0.022 0.000 0.789 1046 P CB 0.845 32.555 31.700 0.017 0.000 0.933 1047 Q N 0.915 120.732 119.800 0.029 0.000 2.356 1047 Q HA 0.439 4.779 4.340 -0.000 0.000 0.270 1047 Q C -0.372 175.641 176.000 0.022 0.000 1.058 1047 Q CA -0.621 55.199 55.803 0.027 0.000 0.802 1047 Q CB 2.909 31.673 28.738 0.043 0.000 1.303 1047 Q HN 0.339 nan 8.270 nan 0.000 0.444 1048 R N 3.281 123.786 120.500 0.008 0.000 2.287 1048 R HA 0.437 4.776 4.340 -0.000 0.000 0.327 1048 R C -1.419 174.871 176.300 -0.017 0.000 1.109 1048 R CA -0.247 55.852 56.100 -0.002 0.000 1.013 1048 R CB -0.152 30.143 30.300 -0.009 0.000 1.126 1048 R HN 0.568 nan 8.270 nan 0.000 0.503 1049 L N -0.269 120.947 121.223 -0.013 0.000 2.469 1049 L HA 0.679 5.019 4.340 -0.000 0.000 0.256 1049 L C -1.346 175.500 176.870 -0.041 0.000 1.006 1049 L CA -0.855 53.953 54.840 -0.053 0.000 0.832 1049 L CB 2.142 44.169 42.059 -0.054 0.000 1.421 1049 L HN 0.452 nan 8.230 nan 0.000 0.410 1050 E N 0.629 120.762 120.200 -0.112 0.000 2.278 1050 E HA 0.443 4.793 4.350 -0.000 0.000 0.272 1050 E C -2.121 174.412 176.600 -0.113 0.000 0.890 1050 E CA -0.459 55.912 56.400 -0.049 0.000 0.770 1050 E CB 1.237 30.909 29.700 -0.046 0.000 1.212 1050 E HN 0.664 nan 8.360 nan 0.000 0.415 1051 W N 4.546 125.872 121.300 0.044 0.000 2.469 1051 W HA 0.396 5.056 4.660 -0.000 0.000 0.320 1051 W C -0.020 176.529 176.519 0.051 0.000 1.086 1051 W CA -0.354 57.039 57.345 0.079 0.000 1.211 1051 W CB 1.358 30.881 29.460 0.106 0.000 1.298 1051 W HN 0.368 nan 8.180 nan 0.000 0.525 1052 K N 3.308 123.928 120.400 0.368 0.000 2.482 1052 K HA 0.896 5.216 4.320 -0.000 0.000 0.257 1052 K C -1.397 175.425 176.600 0.370 0.000 0.969 1052 K CA -1.060 55.397 56.287 0.283 0.000 0.842 1052 K CB 2.158 34.776 32.500 0.197 0.000 1.359 1052 K HN 0.666 nan 8.250 nan 0.000 0.441 1053 L N -1.361 119.991 121.223 0.216 0.000 2.469 1053 L HA 0.659 4.999 4.340 -0.000 0.000 0.256 1053 L C -1.726 174.924 176.870 -0.367 0.000 1.006 1053 L CA -0.954 53.801 54.840 -0.142 0.000 0.832 1053 L CB 2.410 44.097 42.059 -0.620 0.000 1.421 1053 L HN 0.739 nan 8.230 nan 0.000 0.410 1054 N N 0.957 119.224 118.700 -0.722 0.000 2.581 1054 N HA 0.573 5.313 4.740 -0.000 0.000 0.279 1054 N C -1.196 174.012 175.510 -0.504 0.000 1.124 1054 N CA 0.296 52.850 53.050 -0.826 0.000 0.833 1054 N CB 1.916 39.416 38.487 -1.645 0.000 1.338 1054 N HN 1.059 nan 8.380 nan 0.000 0.533 1055 T N -1.649 112.721 114.554 -0.307 0.000 2.654 1055 T HA 0.496 4.845 4.350 -0.000 0.000 0.289 1055 T C 1.220 175.877 174.700 -0.072 0.000 1.062 1055 T CA -0.277 61.730 62.100 -0.155 0.000 1.041 1055 T CB 0.715 69.528 68.868 -0.092 0.000 1.417 1055 T HN 0.126 nan 8.240 nan 0.000 0.510 1056 G N -0.378 108.410 108.800 -0.020 0.000 2.498 1056 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.219 1056 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.219 1056 G C 1.338 176.238 174.900 -0.001 0.000 1.119 1056 G CA 0.087 45.181 45.100 -0.010 0.000 0.766 1056 G HN 0.722 nan 8.290 nan 0.000 0.552 1057 R N -0.011 120.507 120.500 0.031 0.000 2.276 1057 R HA 0.092 4.432 4.340 -0.000 0.000 0.196 1057 R C 0.735 177.119 176.300 0.139 0.000 0.961 1057 R CA 0.883 57.019 56.100 0.060 0.000 1.024 1057 R CB 0.096 30.436 30.300 0.067 0.000 0.940 1057 R HN 0.421 nan 8.270 nan 0.000 0.480 1058 T N -3.191 111.416 114.554 0.087 0.000 2.908 1058 T HA 0.213 4.563 4.350 -0.000 0.000 0.290 1058 T C 0.740 175.435 174.700 -0.008 0.000 1.034 1058 T CA -0.971 61.168 62.100 0.065 0.000 1.010 1058 T CB 2.846 71.710 68.868 -0.006 0.000 1.068 1058 T HN 0.012 nan 8.240 nan 0.000 0.481 1059 E N 1.148 121.349 120.200 0.001 0.000 2.028 1059 E HA 0.159 4.509 4.350 -0.000 0.000 0.190 1059 E C 1.072 177.636 176.600 -0.061 0.000 0.984 1059 E CA 1.134 57.524 56.400 -0.016 0.000 0.800 1059 E CB -0.083 29.622 29.700 0.009 0.000 0.758 1059 E HN 0.818 nan 8.360 nan 0.000 0.448 1060 A N -0.469 122.308 122.820 -0.071 0.000 3.389 1060 A HA 0.375 4.695 4.320 -0.000 0.000 0.179 1060 A C -1.423 176.020 177.584 -0.235 0.000 0.848 1060 A CA -0.619 51.328 52.037 -0.150 0.000 1.090 1060 A CB -0.447 18.552 19.000 -0.002 0.000 1.808 1060 A HN 0.252 nan 8.150 nan 0.000 0.715 1061 W N 1.102 122.385 121.300 -0.027 0.000 2.287 1061 W HA 0.574 5.234 4.660 -0.000 0.000 0.313 1061 W C 0.227 176.702 176.519 -0.073 0.000 1.267 1061 W CA 0.275 57.589 57.345 -0.051 0.000 1.201 1061 W CB 0.863 30.301 29.460 -0.037 0.000 1.196 1061 W HN 0.486 nan 8.180 nan 0.000 0.536 1062 K N 2.830 123.290 120.400 0.099 0.000 2.274 1062 K HA 0.559 4.879 4.320 -0.000 0.000 0.262 1062 K C -1.474 175.101 176.600 -0.041 0.000 0.961 1062 K CA -0.536 55.717 56.287 -0.056 0.000 0.833 1062 K CB 1.117 33.457 32.500 -0.267 0.000 1.102 1062 K HN 0.287 nan 8.250 nan 0.000 0.436 1063 V N 6.265 126.155 119.914 -0.041 0.000 2.432 1063 V HA 0.322 4.442 4.120 -0.000 0.000 0.275 1063 V C 0.225 176.267 176.094 -0.087 0.000 1.043 1063 V CA -0.764 61.525 62.300 -0.019 0.000 0.925 1063 V CB 0.832 32.655 31.823 0.001 0.000 0.985 1063 V HN 0.725 nan 8.190 nan 0.000 0.466 1064 L N 3.549 124.746 121.223 -0.043 0.000 2.456 1064 L HA 0.499 4.839 4.340 -0.000 0.000 0.257 1064 L C 0.527 177.407 176.870 0.017 0.000 1.162 1064 L CA 0.112 54.912 54.840 -0.066 0.000 0.808 1064 L CB 1.321 43.371 42.059 -0.015 0.000 1.136 1064 L HN 0.643 nan 8.230 nan 0.000 0.466 1065 S N -0.401 115.310 115.700 0.019 0.000 2.677 1065 S HA 0.593 5.063 4.470 -0.000 0.000 0.304 1065 S C -2.394 172.248 174.600 0.070 0.000 1.108 1065 S CA -1.020 57.208 58.200 0.047 0.000 0.944 1065 S CB 1.709 64.930 63.200 0.035 0.000 1.127 1065 S HN 0.404 nan 8.310 nan 0.000 0.511 1066 P HA 0.163 nan 4.420 nan 0.000 0.269 1066 P C -0.789 176.552 177.300 0.068 0.000 1.215 1066 P CA -0.278 62.866 63.100 0.073 0.000 0.780 1066 P CB 0.189 31.925 31.700 0.061 0.000 0.898 1067 Q N 0.302 120.143 119.800 0.068 0.000 2.283 1067 Q HA 0.274 4.614 4.340 -0.000 0.000 0.301 1067 Q C 0.961 176.996 176.000 0.058 0.000 1.063 1067 Q CA 0.875 56.719 55.803 0.068 0.000 0.952 1067 Q CB 0.065 28.839 28.738 0.060 0.000 1.166 1067 Q HN 0.754 nan 8.270 nan 0.000 0.381 1068 G N 0.638 109.475 108.800 0.062 0.000 4.162 1068 G HA2 0.363 4.323 3.960 -0.000 0.000 0.252 1068 G HA3 0.363 4.323 3.960 -0.000 0.000 0.252 1068 G C 0.657 175.586 174.900 0.050 0.000 1.064 1068 G CA 0.175 45.306 45.100 0.052 0.000 0.850 1068 G HN 0.907 nan 8.290 nan 0.000 0.454 1069 G N -0.639 108.193 108.800 0.054 0.000 2.175 1069 G HA2 0.053 4.013 3.960 -0.000 0.000 0.244 1069 G HA3 0.053 4.013 3.960 -0.000 0.000 0.244 1069 G C 0.875 175.806 174.900 0.052 0.000 0.982 1069 G CA 0.247 45.374 45.100 0.045 0.000 0.641 1069 G HN 1.262 nan 8.290 nan 0.000 0.527 1070 G N 0.349 109.194 108.800 0.074 0.000 2.634 1070 G HA2 0.550 4.510 3.960 -0.000 0.000 0.255 1070 G HA3 0.550 4.510 3.960 -0.000 0.000 0.255 1070 G C -0.199 174.754 174.900 0.088 0.000 1.205 1070 G CA -0.068 45.085 45.100 0.089 0.000 0.884 1070 G HN 0.140 nan 8.290 nan 0.000 0.549 1071 P HA -0.084 nan 4.420 nan 0.000 0.221 1071 P C 1.122 178.401 177.300 -0.036 0.000 1.150 1071 P CA 0.891 63.980 63.100 -0.018 0.000 0.800 1071 P CB 0.144 31.797 31.700 -0.078 0.000 0.787 1072 W N 1.244 122.549 121.300 0.008 0.000 2.392 1072 W HA -0.101 4.559 4.660 -0.000 0.000 0.279 1072 W C 1.758 178.283 176.519 0.009 0.000 1.225 1072 W CA 1.012 58.363 57.345 0.009 0.000 1.233 1072 W CB -0.633 28.838 29.460 0.018 0.000 1.122 1072 W HN -0.053 nan 8.180 nan 0.000 0.561 1073 D N -0.981 119.547 120.400 0.212 0.000 2.263 1073 D HA -0.123 4.517 4.640 -0.000 0.000 0.208 1073 D C 1.945 178.304 176.300 0.099 0.000 0.971 1073 D CA 1.277 55.366 54.000 0.148 0.000 0.867 1073 D CB -0.398 40.467 40.800 0.108 0.000 0.929 1073 D HN 0.018 nan 8.370 nan 0.000 0.492 1074 S N -0.736 114.990 115.700 0.044 0.000 2.558 1074 S HA 0.047 4.517 4.470 -0.000 0.000 0.217 1074 S C 1.894 176.471 174.600 -0.038 0.000 0.975 1074 S CA -0.075 58.126 58.200 0.001 0.000 0.912 1074 S CB 0.763 63.943 63.200 -0.033 0.000 0.776 1074 S HN 0.086 nan 8.310 nan 0.000 0.526 1075 V N 0.020 119.917 119.914 -0.029 0.000 2.806 1075 V HA 0.504 4.623 4.120 -0.000 0.000 0.239 1075 V C 0.491 176.612 176.094 0.046 0.000 1.113 1075 V CA 0.835 63.097 62.300 -0.062 0.000 1.137 1075 V CB 0.277 31.957 31.823 -0.239 0.000 0.865 1075 V HN 0.366 nan 8.190 nan 0.000 0.482 1076 A N 1.472 124.411 122.820 0.198 0.000 2.466 1076 A HA 0.780 5.100 4.320 -0.000 0.000 0.284 1076 A C -0.533 177.137 177.584 0.143 0.000 1.049 1076 A CA -0.656 51.477 52.037 0.159 0.000 0.760 1076 A CB 1.109 20.281 19.000 0.287 0.000 1.274 1076 A HN 0.459 nan 8.150 nan 0.000 0.412 1077 R N 0.886 121.436 120.500 0.082 0.000 2.771 1077 R HA 0.813 5.152 4.340 -0.000 0.000 0.274 1077 R C -1.495 174.822 176.300 0.028 0.000 0.987 1077 R CA -0.834 55.316 56.100 0.084 0.000 0.908 1077 R CB 1.644 32.020 30.300 0.127 0.000 1.213 1077 R HN 0.249 nan 8.270 nan 0.000 0.468 1078 V N 3.623 123.555 119.914 0.030 0.000 2.461 1078 V HA 0.245 4.365 4.120 -0.000 0.000 0.275 1078 V C 0.585 176.715 176.094 0.060 0.000 1.047 1078 V CA -0.574 61.749 62.300 0.039 0.000 0.955 1078 V CB 0.944 32.846 31.823 0.132 0.000 0.988 1078 V HN 0.535 nan 8.190 nan 0.000 0.471 1079 L N 6.139 127.395 121.223 0.056 0.000 2.469 1079 L HA 0.319 4.659 4.340 -0.000 0.000 0.253 1079 L C -1.169 175.727 176.870 0.043 0.000 1.143 1079 L CA -1.553 53.299 54.840 0.020 0.000 0.804 1079 L CB 0.462 42.512 42.059 -0.014 0.000 1.214 1079 L HN 0.387 nan 8.230 nan 0.000 0.476 1080 P HA -0.148 nan 4.420 nan 0.000 0.216 1080 P C 0.638 177.965 177.300 0.045 0.000 1.150 1080 P CA 1.193 64.308 63.100 0.025 0.000 0.837 1080 P CB -0.034 31.668 31.700 0.003 0.000 0.786 1081 N N -1.338 117.392 118.700 0.049 0.000 2.383 1081 N HA 0.059 4.798 4.740 -0.000 0.000 0.192 1081 N C 1.202 176.779 175.510 0.112 0.000 1.141 1081 N CA 0.838 53.928 53.050 0.067 0.000 0.851 1081 N CB -0.813 37.706 38.487 0.054 0.000 0.976 1081 N HN 0.205 nan 8.380 nan 0.000 0.465 1082 G N -1.054 107.834 108.800 0.146 0.000 2.195 1082 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 1082 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 1082 G C 0.009 175.154 174.900 0.408 0.000 0.984 1082 G CA 0.258 45.506 45.100 0.245 0.000 0.633 1082 G HN 0.456 nan 8.290 nan 0.000 0.525 1083 S N 0.000 115.868 115.700 0.280 0.000 2.579 1083 S HA 0.518 4.988 4.470 -0.000 0.000 0.275 1083 S C 0.180 174.819 174.600 0.066 0.000 1.345 1083 S CA -0.124 58.243 58.200 0.278 0.000 1.031 1083 S CB 1.534 64.822 63.200 0.146 0.000 0.892 1083 S HN 0.765 nan 8.310 nan 0.000 0.529 1084 L N 2.936 123.983 121.223 -0.293 0.000 2.292 1084 L HA 0.576 4.916 4.340 -0.000 0.000 0.284 1084 L C -0.975 175.749 176.870 -0.243 0.000 1.065 1084 L CA -0.177 54.287 54.840 -0.626 0.000 0.806 1084 L CB 0.511 41.691 42.059 -1.465 0.000 1.175 1084 L HN 0.565 nan 8.230 nan 0.000 0.431 1085 F N 5.879 125.670 119.950 -0.265 0.000 2.449 1085 F HA 0.607 5.134 4.527 -0.000 0.000 0.342 1085 F C -1.381 174.335 175.800 -0.140 0.000 1.127 1085 F CA -0.820 57.075 58.000 -0.175 0.000 0.975 1085 F CB 1.106 40.042 39.000 -0.106 0.000 1.146 1085 F HN 0.252 nan 8.300 nan 0.000 0.444 1086 L N 9.488 130.290 121.223 -0.702 0.000 2.276 1086 L HA 0.456 4.796 4.340 -0.000 0.000 0.286 1086 L C -1.840 174.470 176.870 -0.933 0.000 1.024 1086 L CA -1.538 52.944 54.840 -0.596 0.000 0.826 1086 L CB 1.325 43.161 42.059 -0.372 0.000 1.211 1086 L HN 0.440 nan 8.230 nan 0.000 0.422 1087 P HA -0.052 nan 4.420 nan 0.000 0.218 1087 P C -0.195 176.897 177.300 -0.345 0.000 1.149 1087 P CA 0.820 63.559 63.100 -0.603 0.000 0.817 1087 P CB 0.445 32.037 31.700 -0.180 0.000 0.785 1088 A N -0.773 121.881 122.820 -0.278 0.000 2.667 1088 A HA 0.442 4.762 4.320 -0.000 0.000 0.291 1088 A C -0.320 177.151 177.584 -0.189 0.000 1.123 1088 A CA -0.627 51.290 52.037 -0.201 0.000 0.832 1088 A CB 0.220 19.130 19.000 -0.149 0.000 1.396 1088 A HN -0.055 nan 8.150 nan 0.000 0.401 1089 V N 0.731 120.528 119.914 -0.194 0.000 2.963 1089 V HA 0.847 4.967 4.120 -0.000 0.000 0.306 1089 V C 0.569 176.572 176.094 -0.152 0.000 1.077 1089 V CA 0.661 62.863 62.300 -0.162 0.000 1.124 1089 V CB 1.111 32.839 31.823 -0.158 0.000 0.987 1089 V HN 1.426 nan 8.190 nan 0.000 0.487 1090 G N 1.725 110.446 108.800 -0.131 0.000 2.798 1090 G HA2 0.560 4.520 3.960 -0.000 0.000 0.286 1090 G HA3 0.560 4.520 3.960 -0.000 0.000 0.286 1090 G C 0.208 175.014 174.900 -0.156 0.000 1.389 1090 G CA -0.695 44.311 45.100 -0.157 0.000 0.894 1090 G HN 0.741 nan 8.290 nan 0.000 0.488 1091 I N 0.073 120.498 120.570 -0.241 0.000 2.264 1091 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 1091 I C 2.432 178.482 176.117 -0.111 0.000 1.111 1091 I CA 0.990 62.118 61.300 -0.286 0.000 1.382 1091 I CB 0.099 37.821 38.000 -0.464 0.000 1.060 1091 I HN 0.275 nan 8.210 nan 0.000 0.418 1092 Q N 0.185 119.931 119.800 -0.090 0.000 2.488 1092 Q HA -0.111 4.229 4.340 -0.000 0.000 0.211 1092 Q C 1.106 177.116 176.000 0.017 0.000 0.967 1092 Q CA 0.876 56.657 55.803 -0.037 0.000 0.926 1092 Q CB -0.328 28.377 28.738 -0.056 0.000 0.992 1092 Q HN 0.560 nan 8.270 nan 0.000 0.506 1093 D N 0.751 121.176 120.400 0.042 0.000 2.349 1093 D HA -0.010 4.629 4.640 -0.000 0.000 0.215 1093 D C -0.135 176.308 176.300 0.239 0.000 1.016 1093 D CA 0.133 54.232 54.000 0.165 0.000 0.870 1093 D CB 0.315 41.207 40.800 0.152 0.000 0.917 1093 D HN 0.354 nan 8.370 nan 0.000 0.524 1094 E N 0.665 120.953 120.200 0.147 0.000 2.414 1094 E HA 0.350 4.700 4.350 -0.000 0.000 0.263 1094 E C 0.758 177.448 176.600 0.150 0.000 1.000 1094 E CA 0.074 56.579 56.400 0.176 0.000 0.914 1094 E CB 0.999 30.792 29.700 0.155 0.000 0.948 1094 E HN 0.182 nan 8.360 nan 0.000 0.444 1095 G N 2.349 111.263 108.800 0.191 0.000 2.373 1095 G HA2 0.103 4.063 3.960 -0.000 0.000 0.250 1095 G HA3 0.103 4.063 3.960 -0.000 0.000 0.250 1095 G C -1.331 173.667 174.900 0.163 0.000 1.304 1095 G CA -1.000 44.147 45.100 0.078 0.000 0.948 1095 G HN 0.405 nan 8.290 nan 0.000 0.474 1096 I N 0.490 121.055 120.570 -0.007 0.000 2.474 1096 I HA 0.621 4.791 4.170 -0.000 0.000 0.294 1096 I C -1.106 175.074 176.117 0.106 0.000 1.005 1096 I CA -0.586 60.815 61.300 0.168 0.000 1.113 1096 I CB 1.792 39.888 38.000 0.160 0.000 1.289 1096 I HN 0.295 nan 8.210 nan 0.000 0.436 1097 F N 4.682 124.849 119.950 0.362 0.000 2.529 1097 F HA 0.603 5.130 4.527 -0.000 0.000 0.320 1097 F C 0.067 176.209 175.800 0.569 0.000 1.118 1097 F CA -0.643 57.648 58.000 0.484 0.000 0.915 1097 F CB 1.773 41.046 39.000 0.455 0.000 1.161 1097 F HN 0.240 nan 8.300 nan 0.000 0.445 1098 R N 2.060 122.949 120.500 0.650 0.000 2.628 1098 R HA 0.647 4.987 4.340 -0.000 0.000 0.288 1098 R C -1.726 174.579 176.300 0.008 0.000 0.980 1098 R CA -0.697 55.579 56.100 0.292 0.000 0.891 1098 R CB 2.305 32.679 30.300 0.123 0.000 1.188 1098 R HN 0.725 nan 8.270 nan 0.000 0.450 1099 c N 1.907 120.266 118.600 -0.403 0.000 2.507 1099 c HA 0.427 4.997 4.570 -0.000 0.000 0.319 1099 c C -0.715 173.119 174.090 -0.427 0.000 1.208 1099 c CA -0.284 55.557 56.329 -0.813 0.000 1.619 1099 c CB 1.748 43.291 42.510 -1.612 0.000 2.230 1099 c HN 0.820 nan 8.230 nan 0.000 0.492 1100 Q N 3.238 122.827 119.800 -0.352 0.000 2.325 1100 Q HA 0.681 5.021 4.340 -0.000 0.000 0.270 1100 Q C -1.109 174.774 176.000 -0.194 0.000 1.020 1100 Q CA -0.282 55.388 55.803 -0.221 0.000 0.785 1100 Q CB 1.746 30.386 28.738 -0.163 0.000 1.259 1100 Q HN 0.925 nan 8.270 nan 0.000 0.452 1101 A N 5.292 128.023 122.820 -0.148 0.000 2.318 1101 A HA 0.743 5.063 4.320 -0.000 0.000 0.324 1101 A C -0.845 176.699 177.584 -0.067 0.000 1.170 1101 A CA -0.677 51.300 52.037 -0.100 0.000 0.810 1101 A CB 1.056 20.007 19.000 -0.082 0.000 1.198 1101 A HN 0.736 nan 8.150 nan 0.000 0.484 1102 M N 2.369 121.939 119.600 -0.049 0.000 2.243 1102 M HA 0.332 4.812 4.480 -0.000 0.000 0.324 1102 M C -0.576 175.710 176.300 -0.023 0.000 1.031 1102 M CA -0.325 54.954 55.300 -0.036 0.000 0.949 1102 M CB 1.019 33.598 32.600 -0.035 0.000 1.615 1102 M HN 0.807 nan 8.290 nan 0.000 0.430 1103 N N 0.867 119.555 118.700 -0.019 0.000 2.482 1103 N HA 0.434 5.174 4.740 -0.000 0.000 0.279 1103 N C 0.668 176.172 175.510 -0.010 0.000 1.182 1103 N CA -0.810 52.233 53.050 -0.012 0.000 0.969 1103 N CB 1.747 40.228 38.487 -0.010 0.000 1.201 1103 N HN 0.451 nan 8.380 nan 0.000 0.523 1104 R N 0.445 120.941 120.500 -0.006 0.000 2.193 1104 R HA -0.103 4.237 4.340 -0.000 0.000 0.229 1104 R C 0.778 177.074 176.300 -0.006 0.000 1.110 1104 R CA 1.018 57.115 56.100 -0.005 0.000 0.988 1104 R CB -0.353 29.946 30.300 -0.002 0.000 0.871 1104 R HN 0.611 nan 8.270 nan 0.000 0.458 1105 N N -0.614 118.082 118.700 -0.007 0.000 2.398 1105 N HA 0.030 4.770 4.740 -0.000 0.000 0.188 1105 N C 0.945 176.449 175.510 -0.009 0.000 1.122 1105 N CA 0.890 53.935 53.050 -0.007 0.000 0.866 1105 N CB 0.739 39.222 38.487 -0.006 0.000 0.970 1105 N HN 0.225 nan 8.380 nan 0.000 0.462 1106 G N -0.285 108.508 108.800 -0.011 0.000 2.194 1106 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.236 1106 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.236 1106 G C -0.088 174.801 174.900 -0.017 0.000 0.987 1106 G CA 0.077 45.168 45.100 -0.014 0.000 0.635 1106 G HN 0.604 nan 8.290 nan 0.000 0.520 1107 K N 1.227 121.618 120.400 -0.016 0.000 2.448 1107 K HA 0.373 4.693 4.320 -0.000 0.000 0.278 1107 K C 0.077 176.662 176.600 -0.026 0.000 1.009 1107 K CA 0.183 56.458 56.287 -0.019 0.000 0.995 1107 K CB 0.342 32.833 32.500 -0.016 0.000 0.917 1107 K HN 0.402 nan 8.250 nan 0.000 0.481 1108 E N 2.565 122.747 120.200 -0.030 0.000 2.199 1108 E HA 0.259 4.609 4.350 -0.000 0.000 0.269 1108 E C -1.502 175.072 176.600 -0.045 0.000 0.899 1108 E CA -0.721 55.654 56.400 -0.041 0.000 0.772 1108 E CB 1.717 31.391 29.700 -0.044 0.000 1.155 1108 E HN 0.518 nan 8.360 nan 0.000 0.408 1109 T N 4.115 118.635 114.554 -0.057 0.000 2.881 1109 T HA 0.384 4.734 4.350 -0.000 0.000 0.290 1109 T C -0.861 173.784 174.700 -0.091 0.000 1.000 1109 T CA -0.841 61.223 62.100 -0.061 0.000 0.978 1109 T CB 1.296 70.136 68.868 -0.047 0.000 0.997 1109 T HN 0.319 nan 8.240 nan 0.000 0.443 1110 K N 1.859 122.203 120.400 -0.093 0.000 2.221 1110 K HA 0.692 5.012 4.320 -0.000 0.000 0.258 1110 K C -0.613 175.902 176.600 -0.142 0.000 0.944 1110 K CA -0.768 55.444 56.287 -0.125 0.000 0.823 1110 K CB 1.788 34.224 32.500 -0.107 0.000 1.113 1110 K HN 0.461 nan 8.250 nan 0.000 0.431 1111 S N 1.897 117.480 115.700 -0.195 0.000 2.482 1111 S HA 0.343 4.813 4.470 -0.000 0.000 0.303 1111 S C -0.855 173.551 174.600 -0.324 0.000 1.091 1111 S CA -0.812 57.221 58.200 -0.278 0.000 1.057 1111 S CB 0.998 64.089 63.200 -0.183 0.000 1.031 1111 S HN 0.564 nan 8.310 nan 0.000 0.485 1112 N N 1.723 120.136 118.700 -0.477 0.000 2.519 1112 N HA 0.418 5.158 4.740 -0.000 0.000 0.286 1112 N C -2.229 173.103 175.510 -0.297 0.000 1.079 1112 N CA -0.347 52.568 53.050 -0.226 0.000 0.878 1112 N CB 0.582 39.019 38.487 -0.083 0.000 1.375 1112 N HN 0.475 nan 8.380 nan 0.000 0.514 1113 Y N 1.025 121.481 120.300 0.260 0.000 2.376 1113 Y HA 0.463 5.013 4.550 -0.000 0.000 0.340 1113 Y C 0.427 176.490 175.900 0.273 0.000 0.965 1113 Y CA -0.886 57.361 58.100 0.246 0.000 1.078 1113 Y CB 1.736 40.350 38.460 0.258 0.000 1.193 1113 Y HN 0.298 nan 8.280 nan 0.000 0.452 1114 R N 2.866 123.575 120.500 0.349 0.000 2.239 1114 R HA 0.655 4.995 4.340 -0.000 0.000 0.332 1114 R C -1.871 174.581 176.300 0.253 0.000 0.988 1114 R CA -0.433 55.832 56.100 0.276 0.000 0.859 1114 R CB 0.549 30.960 30.300 0.185 0.000 1.148 1114 R HN 0.592 nan 8.270 nan 0.000 0.482 1115 V N 5.733 125.818 119.914 0.285 0.000 2.394 1115 V HA 0.517 4.637 4.120 -0.000 0.000 0.282 1115 V C 0.009 176.214 176.094 0.186 0.000 1.031 1115 V CA -0.656 61.763 62.300 0.199 0.000 0.881 1115 V CB 1.402 33.318 31.823 0.154 0.000 0.982 1115 V HN 0.698 nan 8.190 nan 0.000 0.451 1116 R N 2.724 123.318 120.500 0.156 0.000 2.807 1116 R HA 0.781 5.121 4.340 -0.000 0.000 0.276 1116 R C -0.814 175.610 176.300 0.205 0.000 0.979 1116 R CA -0.570 55.640 56.100 0.184 0.000 0.928 1116 R CB 2.251 32.652 30.300 0.167 0.000 1.191 1116 R HN 0.621 nan 8.270 nan 0.000 0.471 1117 V N -0.516 119.555 119.914 0.261 0.000 3.113 1117 V HA 0.866 4.986 4.120 -0.000 0.000 0.316 1117 V C -1.182 175.185 176.094 0.454 0.000 1.125 1117 V CA -0.829 61.617 62.300 0.243 0.000 1.026 1117 V CB 2.053 33.910 31.823 0.057 0.000 1.080 1117 V HN 0.821 nan 8.190 nan 0.000 0.444 1118 Y N -0.182 120.257 120.300 0.232 0.000 2.597 1118 Y HA 0.889 5.439 4.550 -0.000 0.000 0.340 1118 Y C -0.983 175.041 175.900 0.207 0.000 1.097 1118 Y CA -1.046 57.235 58.100 0.302 0.000 1.037 1118 Y CB 1.874 40.474 38.460 0.234 0.000 1.305 1118 Y HN 0.784 nan 8.280 nan 0.000 0.463 1119 Q N 1.856 121.832 119.800 0.295 0.000 2.372 1119 Q HA 0.601 4.941 4.340 -0.000 0.000 0.273 1119 Q C -1.775 174.315 176.000 0.151 0.000 1.078 1119 Q CA -0.712 55.141 55.803 0.084 0.000 0.806 1119 Q CB 2.186 30.945 28.738 0.036 0.000 1.332 1119 Q HN 0.806 nan 8.270 nan 0.000 0.435 1120 I N 5.470 126.019 120.570 -0.036 0.000 2.342 1120 I HA 0.388 4.558 4.170 -0.000 0.000 0.291 1120 I C -1.842 174.130 176.117 -0.240 0.000 1.010 1120 I CA -1.933 59.206 61.300 -0.269 0.000 1.308 1120 I CB 1.169 38.929 38.000 -0.400 0.000 1.400 1120 I HN 0.515 nan 8.210 nan 0.000 0.488 1121 P HA 0.129 nan 4.420 nan 0.000 0.274 1121 P C 0.105 177.251 177.300 -0.257 0.000 1.256 1121 P CA -0.232 62.669 63.100 -0.332 0.000 0.795 1121 P CB 0.498 31.842 31.700 -0.593 0.000 1.038 1122 G N 0.451 109.143 108.800 -0.180 0.000 2.614 1122 G HA2 0.051 4.011 3.960 -0.000 0.000 0.239 1122 G HA3 0.051 4.011 3.960 -0.000 0.000 0.239 1122 G C -0.138 174.683 174.900 -0.131 0.000 1.240 1122 G CA -0.443 44.580 45.100 -0.130 0.000 0.842 1122 G HN 0.590 nan 8.290 nan 0.000 0.584 1123 K N 1.656 122.005 120.400 -0.086 0.000 2.524 1123 K HA 0.036 4.356 4.320 -0.000 0.000 0.279 1123 K C -1.732 174.836 176.600 -0.054 0.000 0.993 1123 K CA -0.782 55.470 56.287 -0.059 0.000 1.030 1123 K CB 0.389 32.868 32.500 -0.035 0.000 0.891 1123 K HN 0.223 nan 8.250 nan 0.000 0.488 1124 P HA 0.086 nan 4.420 nan 0.000 0.274 1124 P C -1.256 176.027 177.300 -0.029 0.000 1.237 1124 P CA 0.014 63.093 63.100 -0.034 0.000 0.793 1124 P CB 0.802 32.491 31.700 -0.017 0.000 0.977 1125 E N 0.595 120.781 120.200 -0.023 0.000 2.317 1125 E HA 0.523 4.873 4.350 -0.000 0.000 0.270 1125 E C -0.623 175.980 176.600 0.005 0.000 0.885 1125 E CA -0.829 55.568 56.400 -0.006 0.000 0.760 1125 E CB 1.891 31.594 29.700 0.005 0.000 1.227 1125 E HN 0.343 nan 8.360 nan 0.000 0.434 1126 I N 2.584 123.174 120.570 0.033 0.000 2.336 1126 I HA 0.279 4.449 4.170 -0.000 0.000 0.292 1126 I C -0.061 176.110 176.117 0.090 0.000 0.991 1126 I CA -0.808 60.546 61.300 0.090 0.000 1.227 1126 I CB 1.028 39.123 38.000 0.158 0.000 1.366 1126 I HN 0.272 nan 8.210 nan 0.000 0.466 1127 V N 1.493 121.464 119.914 0.095 0.000 3.113 1127 V HA 0.593 4.713 4.120 -0.000 0.000 0.316 1127 V C -0.306 175.830 176.094 0.071 0.000 1.125 1127 V CA -0.795 61.547 62.300 0.071 0.000 1.026 1127 V CB 1.754 33.609 31.823 0.054 0.000 1.080 1127 V HN 0.810 nan 8.190 nan 0.000 0.444 1128 D N 0.726 121.155 120.400 0.049 0.000 2.708 1128 D HA -0.136 4.504 4.640 -0.000 0.000 0.236 1128 D C 0.368 176.686 176.300 0.031 0.000 1.146 1128 D CA 1.394 55.415 54.000 0.035 0.000 0.662 1128 D CB -1.466 39.352 40.800 0.031 0.000 1.059 1128 D HN 1.203 nan 8.370 nan 0.000 0.428 1129 S N -1.659 114.065 115.700 0.040 0.000 2.578 1129 S HA 0.751 5.221 4.470 -0.000 0.000 0.283 1129 S C 0.153 174.766 174.600 0.022 0.000 1.195 1129 S CA -0.496 57.724 58.200 0.034 0.000 1.050 1129 S CB 2.648 65.888 63.200 0.067 0.000 1.012 1129 S HN 0.444 nan 8.310 nan 0.000 0.511 1130 A N 1.697 124.521 122.820 0.006 0.000 2.271 1130 A HA 0.592 4.912 4.320 -0.000 0.000 0.317 1130 A C 1.000 178.611 177.584 0.045 0.000 1.245 1130 A CA -0.479 51.567 52.037 0.015 0.000 0.857 1130 A CB 0.533 19.530 19.000 -0.004 0.000 1.175 1130 A HN 1.184 nan 8.150 nan 0.000 0.512 1131 S N 1.453 117.190 115.700 0.061 0.000 2.496 1131 S HA 0.010 4.480 4.470 -0.000 0.000 0.224 1131 S C 0.543 175.227 174.600 0.140 0.000 0.996 1131 S CA 0.764 59.023 58.200 0.098 0.000 0.927 1131 S CB -0.101 63.151 63.200 0.086 0.000 0.774 1131 S HN 0.801 nan 8.310 nan 0.000 0.524 1132 E N 0.751 121.022 120.200 0.118 0.000 2.171 1132 E HA 0.567 4.917 4.350 -0.000 0.000 0.271 1132 E C -1.278 175.407 176.600 0.142 0.000 0.916 1132 E CA -0.748 55.761 56.400 0.182 0.000 0.774 1132 E CB 0.992 30.751 29.700 0.099 0.000 1.128 1132 E HN 0.354 nan 8.360 nan 0.000 0.403 1133 L N 2.869 124.197 121.223 0.175 0.000 2.334 1133 L HA 0.512 4.852 4.340 -0.000 0.000 0.273 1133 L C -0.275 176.664 176.870 0.115 0.000 1.013 1133 L CA -0.930 53.977 54.840 0.111 0.000 0.816 1133 L CB 2.234 44.354 42.059 0.101 0.000 1.278 1133 L HN 0.536 nan 8.230 nan 0.000 0.431 1134 T N 1.445 116.043 114.554 0.073 0.000 2.792 1134 T HA 0.550 4.900 4.350 -0.000 0.000 0.280 1134 T C 0.084 174.810 174.700 0.044 0.000 0.990 1134 T CA -0.485 61.655 62.100 0.067 0.000 0.960 1134 T CB 1.674 70.572 68.868 0.049 0.000 0.939 1134 T HN 0.677 nan 8.240 nan 0.000 0.439 1135 A N 1.897 124.742 122.820 0.042 0.000 2.445 1135 A HA 0.584 4.904 4.320 -0.000 0.000 0.242 1135 A C 1.554 179.149 177.584 0.019 0.000 1.075 1135 A CA 0.465 52.518 52.037 0.027 0.000 0.777 1135 A CB -0.630 18.382 19.000 0.021 0.000 1.013 1135 A HN 1.649 nan 8.150 nan 0.000 0.493 1136 G N -0.367 108.440 108.800 0.012 0.000 2.195 1136 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.246 1136 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.246 1136 G C 0.369 175.270 174.900 0.003 0.000 0.984 1136 G CA 0.701 45.805 45.100 0.007 0.000 0.633 1136 G HN 2.360 nan 8.290 nan 0.000 0.525 1137 V N -3.306 116.609 119.914 0.002 0.000 3.040 1137 V HA 0.910 5.030 4.120 -0.000 0.000 0.312 1137 V C -2.758 173.328 176.094 -0.013 0.000 1.115 1137 V CA -2.887 59.410 62.300 -0.005 0.000 0.998 1137 V CB 2.110 33.931 31.823 -0.002 0.000 1.042 1137 V HN 0.016 nan 8.190 nan 0.000 0.433 1138 P HA 0.324 nan 4.420 nan 0.000 0.271 1138 P C -0.970 176.304 177.300 -0.044 0.000 1.216 1138 P CA 0.093 63.169 63.100 -0.039 0.000 0.776 1138 P CB 0.262 31.936 31.700 -0.043 0.000 0.881 1139 N N 1.978 120.638 118.700 -0.066 0.000 2.296 1139 N HA 0.160 4.900 4.740 -0.000 0.000 0.294 1139 N C -0.633 174.802 175.510 -0.126 0.000 1.033 1139 N CA -0.692 52.314 53.050 -0.073 0.000 0.839 1139 N CB 2.205 40.658 38.487 -0.055 0.000 1.395 1139 N HN 0.320 nan 8.380 nan 0.000 0.479 1140 K N 2.421 122.755 120.400 -0.111 0.000 2.262 1140 K HA 0.154 4.474 4.320 -0.000 0.000 0.288 1140 K C 0.835 177.327 176.600 -0.180 0.000 1.090 1140 K CA -0.260 55.939 56.287 -0.147 0.000 0.918 1140 K CB 0.415 32.860 32.500 -0.092 0.000 1.139 1140 K HN 0.297 nan 8.250 nan 0.000 0.462 1141 V N 3.330 123.052 119.914 -0.321 0.000 2.343 1141 V HA -0.050 4.070 4.120 -0.000 0.000 0.247 1141 V C 1.165 177.131 176.094 -0.214 0.000 1.051 1141 V CA 1.722 63.790 62.300 -0.387 0.000 1.036 1141 V CB -0.594 30.721 31.823 -0.847 0.000 0.654 1141 V HN 1.067 nan 8.190 nan 0.000 0.451 1142 G N -1.703 106.986 108.800 -0.185 0.000 2.337 1142 G HA2 0.345 4.305 3.960 -0.000 0.000 0.298 1142 G HA3 0.345 4.305 3.960 -0.000 0.000 0.298 1142 G C -1.070 173.904 174.900 0.123 0.000 1.335 1142 G CA -0.194 44.919 45.100 0.021 0.000 0.875 1142 G HN -0.061 nan 8.290 nan 0.000 0.579 1143 T N -0.050 114.629 114.554 0.209 0.000 2.809 1143 T HA 0.494 4.844 4.350 -0.000 0.000 0.284 1143 T C -0.298 174.560 174.700 0.263 0.000 0.992 1143 T CA -0.212 62.040 62.100 0.254 0.000 0.957 1143 T CB 1.157 70.105 68.868 0.133 0.000 0.942 1143 T HN 0.945 nan 8.240 nan 0.000 0.439 1144 c N 4.807 123.586 118.600 0.300 0.000 2.527 1144 c HA 0.738 5.308 4.570 -0.000 0.000 0.396 1144 c C -0.121 173.995 174.090 0.043 0.000 1.289 1144 c CA -0.086 56.260 56.329 0.027 0.000 2.047 1144 c CB -1.083 41.235 42.510 -0.320 0.000 2.568 1144 c HN 0.713 nan 8.230 nan 0.000 0.573 1145 V N 5.650 125.577 119.914 0.020 0.000 2.638 1145 V HA 0.640 4.760 4.120 -0.000 0.000 0.306 1145 V C -0.192 175.911 176.094 0.015 0.000 1.052 1145 V CA -0.275 62.045 62.300 0.034 0.000 0.885 1145 V CB 1.879 33.724 31.823 0.038 0.000 0.999 1145 V HN 0.917 nan 8.190 nan 0.000 0.424 1146 S N 3.684 119.402 115.700 0.030 0.000 2.532 1146 S HA 0.668 5.138 4.470 -0.000 0.000 0.299 1146 S C -0.984 173.607 174.600 -0.014 0.000 1.105 1146 S CA -0.568 57.623 58.200 -0.015 0.000 1.018 1146 S CB 1.335 64.542 63.200 0.011 0.000 1.021 1146 S HN 0.807 nan 8.310 nan 0.000 0.483 1147 E N 1.954 122.120 120.200 -0.056 0.000 2.210 1147 E HA 0.589 4.939 4.350 -0.000 0.000 0.266 1147 E C 0.282 176.843 176.600 -0.064 0.000 0.883 1147 E CA -0.724 55.661 56.400 -0.026 0.000 0.761 1147 E CB 1.685 31.377 29.700 -0.014 0.000 1.156 1147 E HN 1.010 nan 8.360 nan 0.000 0.412 1148 G N 2.048 110.836 108.800 -0.019 0.000 2.135 1148 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.183 1148 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.183 1148 G C 0.118 175.019 174.900 0.002 0.000 1.004 1148 G CA 0.070 45.151 45.100 -0.031 0.000 0.677 1148 G HN 0.561 nan 8.290 nan 0.000 0.512 1149 S N -0.648 115.094 115.700 0.071 0.000 2.610 1149 S HA 0.776 5.246 4.470 -0.000 0.000 0.273 1149 S C -0.595 174.259 174.600 0.423 0.000 1.274 1149 S CA -0.644 57.657 58.200 0.169 0.000 1.023 1149 S CB 2.461 65.757 63.200 0.159 0.000 0.962 1149 S HN 1.309 nan 8.310 nan 0.000 0.523 1150 Y N 1.306 121.779 120.300 0.288 0.000 2.441 1150 Y HA 0.492 5.042 4.550 -0.000 0.000 0.334 1150 Y C -2.971 173.117 175.900 0.313 0.000 1.061 1150 Y CA -1.905 56.403 58.100 0.345 0.000 1.032 1150 Y CB 1.808 40.407 38.460 0.232 0.000 1.266 1150 Y HN 0.544 nan 8.280 nan 0.000 0.441 1151 P HA 0.143 nan 4.420 nan 0.000 0.291 1151 P C 0.121 177.302 177.300 -0.199 0.000 1.287 1151 P CA 0.986 63.735 63.100 -0.586 0.000 0.767 1151 P CB 0.528 31.921 31.700 -0.512 0.000 1.290 1152 A N -0.515 121.937 122.820 -0.612 0.000 1.865 1152 A HA 0.195 4.515 4.320 -0.000 0.000 0.217 1152 A C 1.283 178.847 177.584 -0.032 0.000 1.191 1152 A CA 2.051 53.738 52.037 -0.584 0.000 0.623 1152 A CB -1.812 16.632 19.000 -0.926 0.000 0.826 1152 A HN 0.816 nan 8.150 nan 0.000 0.444 1153 G N -2.341 106.375 108.800 -0.140 0.000 2.741 1153 G HA2 0.195 4.155 3.960 -0.000 0.000 0.222 1153 G HA3 0.195 4.155 3.960 -0.000 0.000 0.222 1153 G C 0.024 174.739 174.900 -0.308 0.000 1.364 1153 G CA 0.380 45.316 45.100 -0.272 0.000 0.866 1153 G HN 2.031 nan 8.290 nan 0.000 0.555 1154 T N -2.507 111.735 114.554 -0.520 0.000 2.883 1154 T HA 0.718 5.068 4.350 -0.000 0.000 0.301 1154 T C -0.394 174.126 174.700 -0.299 0.000 1.158 1154 T CA -0.810 61.111 62.100 -0.298 0.000 1.007 1154 T CB 1.944 70.671 68.868 -0.234 0.000 1.186 1154 T HN 1.055 nan 8.240 nan 0.000 0.499 1155 L N 1.614 122.762 121.223 -0.125 0.000 2.325 1155 L HA 0.746 5.086 4.340 -0.000 0.000 0.278 1155 L C -0.087 176.703 176.870 -0.134 0.000 1.023 1155 L CA -0.790 53.986 54.840 -0.107 0.000 0.811 1155 L CB 2.049 44.070 42.059 -0.062 0.000 1.249 1155 L HN 0.770 nan 8.230 nan 0.000 0.431 1156 S N 0.507 116.093 115.700 -0.191 0.000 2.536 1156 S HA 0.537 5.006 4.470 -0.000 0.000 0.287 1156 S C -1.394 172.974 174.600 -0.387 0.000 1.101 1156 S CA -0.662 57.408 58.200 -0.217 0.000 0.950 1156 S CB 1.468 64.539 63.200 -0.215 0.000 1.056 1156 S HN 0.353 nan 8.310 nan 0.000 0.481 1157 W N 2.184 123.307 121.300 -0.296 0.000 2.448 1157 W HA 0.536 5.196 4.660 -0.000 0.000 0.339 1157 W C 0.435 176.683 176.519 -0.453 0.000 1.124 1157 W CA -0.315 56.895 57.345 -0.225 0.000 1.262 1157 W CB 0.760 30.184 29.460 -0.060 0.000 1.251 1157 W HN 0.545 nan 8.180 nan 0.000 0.597 1158 H N 2.469 121.774 119.070 0.391 0.000 2.851 1158 H HA 0.518 5.074 4.556 -0.000 0.000 0.372 1158 H C -1.499 173.989 175.328 0.267 0.000 1.158 1158 H CA -1.043 55.150 56.048 0.240 0.000 1.159 1158 H CB 2.369 32.206 29.762 0.125 0.000 1.757 1158 H HN 0.256 nan 8.280 nan 0.000 0.546 1159 L N 2.503 123.866 121.223 0.233 0.000 2.376 1159 L HA 0.306 4.646 4.340 -0.000 0.000 0.275 1159 L C -0.434 176.418 176.870 -0.030 0.000 0.987 1159 L CA -0.232 54.611 54.840 0.006 0.000 0.828 1159 L CB 0.983 43.018 42.059 -0.040 0.000 1.249 1159 L HN 0.627 nan 8.230 nan 0.000 0.409 1160 D N 4.406 124.749 120.400 -0.094 0.000 2.708 1160 D HA -0.180 4.460 4.640 -0.000 0.000 0.236 1160 D C 1.080 177.369 176.300 -0.019 0.000 1.146 1160 D CA 1.649 55.608 54.000 -0.068 0.000 0.662 1160 D CB -1.227 39.524 40.800 -0.082 0.000 1.059 1160 D HN 1.331 nan 8.370 nan 0.000 0.428 1161 G N -0.682 108.122 108.800 0.006 0.000 2.153 1161 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.252 1161 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.252 1161 G C 0.224 175.136 174.900 0.020 0.000 0.994 1161 G CA 0.909 46.004 45.100 -0.008 0.000 0.698 1161 G HN 0.533 nan 8.290 nan 0.000 0.521 1162 K N 0.510 120.957 120.400 0.079 0.000 2.375 1162 K HA 0.519 4.839 4.320 -0.000 0.000 0.249 1162 K C -2.561 174.166 176.600 0.211 0.000 0.942 1162 K CA -2.253 54.097 56.287 0.106 0.000 0.806 1162 K CB 2.794 35.326 32.500 0.052 0.000 1.227 1162 K HN -0.049 nan 8.250 nan 0.000 0.430 1163 P HA -0.042 nan 4.420 nan 0.000 0.268 1163 P C -0.960 176.384 177.300 0.073 0.000 1.208 1163 P CA -0.346 62.843 63.100 0.147 0.000 0.777 1163 P CB 0.524 32.269 31.700 0.075 0.000 0.875 1164 L N 3.965 125.209 121.223 0.035 0.000 2.294 1164 L HA 0.281 4.621 4.340 -0.000 0.000 0.283 1164 L C -0.738 176.156 176.870 0.040 0.000 1.015 1164 L CA -0.609 54.275 54.840 0.074 0.000 0.831 1164 L CB 1.305 43.460 42.059 0.159 0.000 1.217 1164 L HN 0.031 nan 8.230 nan 0.000 0.420 1165 V N 7.887 127.817 119.914 0.027 0.000 2.385 1165 V HA 0.385 4.505 4.120 -0.000 0.000 0.269 1165 V C -1.886 174.210 176.094 0.004 0.000 1.043 1165 V CA -1.453 60.854 62.300 0.011 0.000 0.906 1165 V CB 0.870 32.697 31.823 0.006 0.000 0.995 1165 V HN 0.701 nan 8.190 nan 0.000 0.467 1166 P HA 0.198 nan 4.420 nan 0.000 0.269 1166 P C 0.404 177.697 177.300 -0.012 0.000 1.215 1166 P CA 0.135 63.228 63.100 -0.012 0.000 0.780 1166 P CB 0.243 31.938 31.700 -0.008 0.000 0.898 1167 N N -1.648 117.041 118.700 -0.018 0.000 2.936 1167 N HA -0.181 4.559 4.740 -0.000 0.000 0.236 1167 N C -0.537 174.967 175.510 -0.010 0.000 0.930 1167 N CA 1.234 54.275 53.050 -0.015 0.000 0.966 1167 N CB -1.368 37.112 38.487 -0.012 0.000 1.090 1167 N HN 0.631 nan 8.380 nan 0.000 0.592 1168 E N 0.614 120.810 120.200 -0.007 0.000 2.212 1168 E HA 0.371 4.721 4.350 -0.000 0.000 0.268 1168 E C 0.314 176.914 176.600 -0.001 0.000 0.902 1168 E CA -0.731 55.667 56.400 -0.003 0.000 0.779 1168 E CB 1.416 31.117 29.700 0.001 0.000 1.172 1168 E HN 0.251 nan 8.360 nan 0.000 0.409 1169 K N 0.766 121.166 120.400 0.000 0.000 3.071 1169 K HA -0.276 4.044 4.320 -0.000 0.000 0.262 1169 K C 0.416 177.016 176.600 0.000 0.000 0.977 1169 K CA 1.166 57.455 56.287 0.003 0.000 0.721 1169 K CB -2.473 30.032 32.500 0.008 0.000 1.293 1169 K HN 0.958 nan 8.250 nan 0.000 0.475 1170 G N -1.810 106.985 108.800 -0.008 0.000 2.143 1170 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.248 1170 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.248 1170 G C 0.076 174.958 174.900 -0.030 0.000 0.991 1170 G CA -0.116 44.975 45.100 -0.015 0.000 0.689 1170 G HN 0.643 nan 8.290 nan 0.000 0.522 1171 V N 1.236 121.132 119.914 -0.031 0.000 2.427 1171 V HA 0.801 4.921 4.120 -0.000 0.000 0.286 1171 V C 0.537 176.592 176.094 -0.065 0.000 1.034 1171 V CA 0.168 62.434 62.300 -0.057 0.000 0.893 1171 V CB 1.705 33.505 31.823 -0.038 0.000 0.982 1171 V HN 1.123 nan 8.190 nan 0.000 0.452 1172 S N 3.854 119.496 115.700 -0.098 0.000 2.569 1172 S HA 0.880 5.350 4.470 -0.000 0.000 0.280 1172 S C -1.228 173.304 174.600 -0.113 0.000 1.111 1172 S CA -0.738 57.413 58.200 -0.082 0.000 0.887 1172 S CB 2.121 65.283 63.200 -0.064 0.000 1.095 1172 S HN 0.399 nan 8.310 nan 0.000 0.476 1173 V N 1.594 121.468 119.914 -0.068 0.000 2.709 1173 V HA 0.610 4.730 4.120 -0.000 0.000 0.308 1173 V C -0.570 175.518 176.094 -0.010 0.000 1.062 1173 V CA -0.706 61.566 62.300 -0.047 0.000 0.901 1173 V CB 2.016 33.847 31.823 0.013 0.000 1.003 1173 V HN 1.001 nan 8.190 nan 0.000 0.425 1174 K N 3.292 123.695 120.400 0.005 0.000 2.307 1174 K HA 0.620 4.940 4.320 -0.000 0.000 0.263 1174 K C -0.691 175.939 176.600 0.049 0.000 0.973 1174 K CA -0.417 55.881 56.287 0.018 0.000 0.846 1174 K CB 1.340 33.844 32.500 0.007 0.000 1.100 1174 K HN 0.798 nan 8.250 nan 0.000 0.438 1175 E N 2.792 123.020 120.200 0.045 0.000 2.227 1175 E HA 0.238 4.588 4.350 -0.000 0.000 0.268 1175 E C -1.232 175.396 176.600 0.047 0.000 0.907 1175 E CA -0.902 55.532 56.400 0.057 0.000 0.786 1175 E CB 2.250 31.978 29.700 0.048 0.000 1.191 1175 E HN 0.575 nan 8.360 nan 0.000 0.411 1176 Q N -0.070 119.764 119.800 0.057 0.000 2.418 1176 Q HA 0.613 4.953 4.340 -0.000 0.000 0.282 1176 Q C -1.338 174.705 176.000 0.072 0.000 1.044 1176 Q CA -0.944 54.892 55.803 0.056 0.000 0.813 1176 Q CB 2.061 30.831 28.738 0.054 0.000 1.428 1176 Q HN 0.306 nan 8.270 nan 0.000 0.402 1177 T N 1.691 116.295 114.554 0.082 0.000 2.848 1177 T HA 0.615 4.965 4.350 -0.000 0.000 0.285 1177 T C -0.961 173.837 174.700 0.163 0.000 0.995 1177 T CA -0.862 61.315 62.100 0.129 0.000 0.970 1177 T CB 0.992 69.920 68.868 0.100 0.000 0.976 1177 T HN 0.362 nan 8.240 nan 0.000 0.441 1178 R N 1.956 122.576 120.500 0.200 0.000 2.670 1178 R HA 0.535 4.875 4.340 -0.000 0.000 0.289 1178 R C -0.513 175.893 176.300 0.177 0.000 0.965 1178 R CA -0.897 55.297 56.100 0.157 0.000 0.899 1178 R CB 2.389 32.742 30.300 0.089 0.000 1.173 1178 R HN 0.556 nan 8.270 nan 0.000 0.456 1179 R N 1.625 122.160 120.500 0.058 0.000 2.387 1179 R HA 0.214 4.554 4.340 -0.000 0.000 0.314 1179 R C -0.619 175.615 176.300 -0.110 0.000 0.958 1179 R CA -0.539 55.458 56.100 -0.171 0.000 0.846 1179 R CB 0.952 31.109 30.300 -0.238 0.000 1.147 1179 R HN 0.570 nan 8.270 nan 0.000 0.447 1180 H N 6.079 125.032 119.070 -0.196 0.000 2.848 1180 H HA 0.108 4.664 4.556 -0.000 0.000 0.317 1180 H C -1.828 173.425 175.328 -0.125 0.000 1.046 1180 H CA -1.464 54.509 56.048 -0.125 0.000 1.470 1180 H CB 1.780 31.474 29.762 -0.113 0.000 1.483 1180 H HN 0.486 nan 8.280 nan 0.000 0.548 1181 P HA -0.106 nan 4.420 nan 0.000 0.220 1181 P C 0.888 178.199 177.300 0.018 0.000 1.148 1181 P CA 1.014 64.049 63.100 -0.108 0.000 0.803 1181 P CB 0.588 32.184 31.700 -0.173 0.000 0.782 1182 E N -1.268 119.065 120.200 0.222 0.000 2.132 1182 E HA -0.020 4.330 4.350 -0.000 0.000 0.193 1182 E C 1.937 178.573 176.600 0.060 0.000 0.951 1182 E CA 1.720 58.211 56.400 0.151 0.000 0.843 1182 E CB -1.066 28.748 29.700 0.190 0.000 0.807 1182 E HN 0.332 nan 8.360 nan 0.000 0.467 1183 T N -2.529 112.058 114.554 0.054 0.000 3.051 1183 T HA 0.221 4.571 4.350 -0.000 0.000 0.255 1183 T C 1.623 176.245 174.700 -0.131 0.000 1.085 1183 T CA 0.947 62.968 62.100 -0.132 0.000 1.109 1183 T CB 0.261 68.953 68.868 -0.293 0.000 0.921 1183 T HN 0.265 nan 8.240 nan 0.000 0.488 1184 G N 1.448 110.192 108.800 -0.094 0.000 2.168 1184 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.263 1184 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.263 1184 G C 0.002 174.730 174.900 -0.285 0.000 0.977 1184 G CA 0.411 45.401 45.100 -0.183 0.000 0.659 1184 G HN 0.653 nan 8.290 nan 0.000 0.533 1185 L N -0.455 120.649 121.223 -0.197 0.000 2.418 1185 L HA 0.664 5.004 4.340 -0.000 0.000 0.265 1185 L C 0.573 177.317 176.870 -0.210 0.000 1.143 1185 L CA -0.765 54.007 54.840 -0.113 0.000 0.809 1185 L CB 0.560 42.592 42.059 -0.046 0.000 1.124 1185 L HN 0.020 nan 8.230 nan 0.000 0.456 1186 F N -0.428 119.599 119.950 0.129 0.000 2.422 1186 F HA 0.385 4.912 4.527 -0.000 0.000 0.333 1186 F C 0.450 176.296 175.800 0.077 0.000 1.095 1186 F CA -0.455 57.611 58.000 0.110 0.000 1.038 1186 F CB 1.930 41.001 39.000 0.119 0.000 1.156 1186 F HN 0.272 nan 8.300 nan 0.000 0.483 1187 T N 4.558 119.266 114.554 0.257 0.000 2.792 1187 T HA 0.608 4.958 4.350 -0.000 0.000 0.280 1187 T C -0.481 174.323 174.700 0.173 0.000 0.990 1187 T CA -0.576 61.622 62.100 0.164 0.000 0.960 1187 T CB 0.691 69.624 68.868 0.108 0.000 0.939 1187 T HN 0.290 nan 8.240 nan 0.000 0.439 1188 L N 3.164 124.477 121.223 0.150 0.000 2.334 1188 L HA 0.602 4.942 4.340 -0.000 0.000 0.273 1188 L C 0.057 176.989 176.870 0.103 0.000 1.013 1188 L CA -0.962 53.959 54.840 0.135 0.000 0.816 1188 L CB 1.704 43.859 42.059 0.161 0.000 1.278 1188 L HN 0.453 nan 8.230 nan 0.000 0.431 1189 Q N 1.257 121.113 119.800 0.094 0.000 2.375 1189 Q HA 0.527 4.867 4.340 -0.000 0.000 0.271 1189 Q C -1.148 174.919 176.000 0.112 0.000 1.074 1189 Q CA -0.592 55.267 55.803 0.094 0.000 0.808 1189 Q CB 2.907 31.696 28.738 0.084 0.000 1.327 1189 Q HN 0.533 nan 8.270 nan 0.000 0.441 1190 S N 1.505 117.301 115.700 0.161 0.000 2.775 1190 S HA 0.161 4.631 4.470 -0.000 0.000 0.277 1190 S C -1.403 173.425 174.600 0.379 0.000 1.156 1190 S CA -0.573 57.781 58.200 0.256 0.000 1.081 1190 S CB 0.945 64.324 63.200 0.299 0.000 1.054 1190 S HN 0.604 nan 8.310 nan 0.000 0.482 1191 E N 4.444 124.765 120.200 0.201 0.000 2.167 1191 E HA 0.399 4.749 4.350 -0.000 0.000 0.284 1191 E C -1.070 175.477 176.600 -0.089 0.000 1.016 1191 E CA -0.708 55.745 56.400 0.088 0.000 0.817 1191 E CB 0.777 30.493 29.700 0.028 0.000 1.080 1191 E HN 0.552 nan 8.360 nan 0.000 0.397 1192 L N 5.634 126.633 121.223 -0.372 0.000 2.282 1192 L HA 0.395 4.735 4.340 -0.000 0.000 0.288 1192 L C -1.115 175.449 176.870 -0.509 0.000 1.033 1192 L CA -0.314 54.089 54.840 -0.727 0.000 0.807 1192 L CB 1.262 42.269 42.059 -1.753 0.000 1.209 1192 L HN 0.593 nan 8.230 nan 0.000 0.423 1193 M N 6.630 126.014 119.600 -0.361 0.000 2.364 1193 M HA 0.587 5.067 4.480 -0.000 0.000 0.334 1193 M C -0.701 175.454 176.300 -0.241 0.000 1.107 1193 M CA -0.698 54.446 55.300 -0.260 0.000 0.988 1193 M CB 1.643 34.148 32.600 -0.158 0.000 1.673 1193 M HN 0.475 nan 8.290 nan 0.000 0.441 1194 V N 0.014 119.804 119.914 -0.206 0.000 2.876 1194 V HA 0.786 4.906 4.120 -0.000 0.000 0.312 1194 V C -0.444 175.613 176.094 -0.062 0.000 1.085 1194 V CA -0.453 61.775 62.300 -0.119 0.000 0.945 1194 V CB 1.976 33.747 31.823 -0.087 0.000 1.017 1194 V HN 0.830 nan 8.190 nan 0.000 0.428 1195 T N 5.178 119.714 114.554 -0.029 0.000 2.947 1195 T HA 0.519 4.869 4.350 -0.000 0.000 0.337 1195 T C -2.630 172.075 174.700 0.008 0.000 1.139 1195 T CA -0.793 61.300 62.100 -0.012 0.000 0.992 1195 T CB 0.859 69.718 68.868 -0.014 0.000 1.043 1195 T HN 0.742 nan 8.240 nan 0.000 0.498 1196 P HA 0.351 nan 4.420 nan 0.000 0.268 1196 P C -0.658 176.652 177.300 0.016 0.000 1.205 1196 P CA -0.437 62.681 63.100 0.030 0.000 0.771 1196 P CB 0.459 32.183 31.700 0.040 0.000 0.858 1197 A N 3.556 126.383 122.820 0.012 0.000 2.366 1197 A HA 0.265 4.585 4.320 -0.000 0.000 0.272 1197 A C 0.477 178.063 177.584 0.003 0.000 1.135 1197 A CA -0.492 51.549 52.037 0.006 0.000 0.804 1197 A CB -0.062 18.939 19.000 0.003 0.000 1.064 1197 A HN 0.538 nan 8.150 nan 0.000 0.499 1198 R N 1.523 122.025 120.500 0.003 0.000 2.522 1198 R HA 0.325 4.665 4.340 -0.000 0.000 0.284 1198 R C 1.315 177.612 176.300 -0.005 0.000 1.032 1198 R CA 1.598 57.698 56.100 0.001 0.000 1.049 1198 R CB 0.010 30.313 30.300 0.004 0.000 0.956 1198 R HN 1.648 nan 8.270 nan 0.000 0.422 1199 G N 2.291 111.084 108.800 -0.012 0.000 2.176 1199 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.253 1199 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.253 1199 G C 0.428 175.315 174.900 -0.021 0.000 0.979 1199 G CA -0.038 45.052 45.100 -0.017 0.000 0.641 1199 G HN 0.958 nan 8.290 nan 0.000 0.530 1200 G N -0.342 108.447 108.800 -0.018 0.000 2.611 1200 G HA2 0.406 4.366 3.960 -0.000 0.000 0.273 1200 G HA3 0.406 4.366 3.960 -0.000 0.000 0.273 1200 G C -0.150 174.730 174.900 -0.034 0.000 1.305 1200 G CA 0.461 45.549 45.100 -0.021 0.000 1.010 1200 G HN 0.373 nan 8.290 nan 0.000 0.509 1201 D N 0.082 120.459 120.400 -0.038 0.000 2.382 1201 D HA 0.128 4.768 4.640 -0.000 0.000 0.259 1201 D C -0.996 175.268 176.300 -0.060 0.000 1.224 1201 D CA -1.676 52.292 54.000 -0.053 0.000 0.894 1201 D CB 1.383 42.148 40.800 -0.058 0.000 1.127 1201 D HN 0.046 nan 8.370 nan 0.000 0.487 1202 P HA 0.084 nan 4.420 nan 0.000 0.249 1202 P C -0.122 177.120 177.300 -0.097 0.000 1.229 1202 P CA 0.142 63.182 63.100 -0.099 0.000 0.788 1202 P CB 0.409 32.013 31.700 -0.159 0.000 1.072 1203 R N 1.195 121.645 120.500 -0.084 0.000 2.835 1203 R HA 0.300 4.640 4.340 -0.000 0.000 0.290 1203 R C -2.346 173.901 176.300 -0.088 0.000 1.410 1203 R CA -1.431 54.625 56.100 -0.073 0.000 1.590 1203 R CB 0.686 30.942 30.300 -0.074 0.000 1.288 1203 R HN 0.217 nan 8.270 nan 0.000 0.637 1204 P HA 0.066 nan 4.420 nan 0.000 0.272 1204 P C -0.542 176.582 177.300 -0.294 0.000 1.223 1204 P CA 0.012 62.939 63.100 -0.289 0.000 0.784 1204 P CB 1.194 32.629 31.700 -0.442 0.000 0.923 1205 T N 2.672 117.006 114.554 -0.366 0.000 2.791 1205 T HA 0.498 4.848 4.350 -0.000 0.000 0.288 1205 T C -0.410 174.130 174.700 -0.267 0.000 0.999 1205 T CA -0.028 61.952 62.100 -0.199 0.000 0.952 1205 T CB -0.040 68.779 68.868 -0.081 0.000 0.938 1205 T HN 0.119 nan 8.240 nan 0.000 0.444 1206 F N 1.999 122.032 119.950 0.139 0.000 2.470 1206 F HA 0.736 5.263 4.527 -0.000 0.000 0.329 1206 F C 0.919 176.871 175.800 0.253 0.000 1.072 1206 F CA -0.617 57.522 58.000 0.233 0.000 0.989 1206 F CB 1.879 41.047 39.000 0.279 0.000 1.193 1206 F HN 0.588 nan 8.300 nan 0.000 0.481 1207 S N 0.320 116.322 115.700 0.504 0.000 2.625 1207 S HA 0.696 5.166 4.470 -0.000 0.000 0.271 1207 S C -1.538 173.164 174.600 0.170 0.000 1.161 1207 S CA -0.959 57.411 58.200 0.283 0.000 0.820 1207 S CB 1.482 64.779 63.200 0.162 0.000 1.137 1207 S HN 0.966 nan 8.310 nan 0.000 0.470 1208 c N 2.055 120.575 118.600 -0.133 0.000 2.634 1208 c HA 0.951 5.521 4.570 -0.000 0.000 0.313 1208 c C -0.312 173.712 174.090 -0.110 0.000 1.198 1208 c CA 0.323 56.399 56.329 -0.421 0.000 1.605 1208 c CB 0.866 42.771 42.510 -1.009 0.000 2.196 1208 c HN 1.380 nan 8.230 nan 0.000 0.486 1209 S N 3.597 119.280 115.700 -0.028 0.000 2.548 1209 S HA 0.756 5.226 4.470 -0.000 0.000 0.286 1209 S C -1.057 173.577 174.600 0.058 0.000 1.098 1209 S CA -0.496 57.743 58.200 0.066 0.000 0.930 1209 S CB 1.462 64.758 63.200 0.160 0.000 1.070 1209 S HN 0.989 nan 8.310 nan 0.000 0.480 1210 F N 1.815 121.750 119.950 -0.026 0.000 2.420 1210 F HA 0.721 5.248 4.527 -0.000 0.000 0.342 1210 F C -0.342 175.463 175.800 0.009 0.000 1.113 1210 F CA -0.041 57.953 58.000 -0.011 0.000 1.059 1210 F CB 1.522 40.531 39.000 0.015 0.000 1.128 1210 F HN 0.674 nan 8.300 nan 0.000 0.475 1211 S N 7.297 122.533 115.700 -0.774 0.000 2.521 1211 S HA 0.507 4.977 4.470 -0.000 0.000 0.295 1211 S C -2.705 171.375 174.600 -0.867 0.000 1.098 1211 S CA -1.272 56.578 58.200 -0.582 0.000 0.999 1211 S CB 2.049 65.058 63.200 -0.319 0.000 1.034 1211 S HN 0.462 nan 8.310 nan 0.000 0.483 1212 P HA 0.221 nan 4.420 nan 0.000 0.274 1212 P C 0.870 177.988 177.300 -0.304 0.000 1.231 1212 P CA -0.294 62.600 63.100 -0.344 0.000 0.790 1212 P CB 0.522 32.015 31.700 -0.345 0.000 0.951 1213 G N 1.887 110.546 108.800 -0.236 0.000 2.418 1213 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.217 1213 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.217 1213 G C 0.525 175.321 174.900 -0.174 0.000 1.158 1213 G CA 0.482 45.464 45.100 -0.196 0.000 0.771 1213 G HN 0.407 nan 8.290 nan 0.000 0.545 1214 L N 0.875 121.995 121.223 -0.171 0.000 2.331 1214 L HA 0.339 4.678 4.340 -0.000 0.000 0.275 1214 L C -1.937 174.801 176.870 -0.220 0.000 1.022 1214 L CA -2.201 52.541 54.840 -0.163 0.000 0.812 1214 L CB 2.461 44.444 42.059 -0.127 0.000 1.257 1214 L HN -0.099 nan 8.230 nan 0.000 0.435 1215 P HA 0.120 nan 4.420 nan 0.000 0.225 1215 P C 0.155 177.298 177.300 -0.262 0.000 1.768 1215 P CA -0.230 62.730 63.100 -0.232 0.000 0.943 1215 P CB 0.209 31.813 31.700 -0.160 0.000 1.936 1216 R N 0.752 121.031 120.500 -0.370 0.000 2.189 1216 R HA -0.030 4.310 4.340 -0.000 0.000 0.218 1216 R C 0.906 177.000 176.300 -0.343 0.000 1.074 1216 R CA 1.089 56.896 56.100 -0.489 0.000 0.991 1216 R CB -0.656 29.100 30.300 -0.906 0.000 0.883 1216 R HN 0.636 nan 8.270 nan 0.000 0.457 1217 H N -4.384 114.558 119.070 -0.214 0.000 2.990 1217 H HA 0.585 5.141 4.556 -0.000 0.000 0.336 1217 H C -0.948 174.362 175.328 -0.030 0.000 1.306 1217 H CA -1.492 54.509 56.048 -0.080 0.000 1.118 1217 H CB 0.624 30.389 29.762 0.004 0.000 1.856 1217 H HN -0.269 nan 8.280 nan 0.000 0.538 1218 R N 0.816 121.401 120.500 0.142 0.000 2.637 1218 R HA 0.641 4.981 4.340 -0.000 0.000 0.269 1218 R C -0.190 176.206 176.300 0.161 0.000 1.089 1218 R CA 0.183 56.328 56.100 0.076 0.000 1.177 1218 R CB 0.187 30.525 30.300 0.065 0.000 1.091 1218 R HN 0.925 nan 8.270 nan 0.000 0.540 1219 A N 2.782 125.646 122.820 0.074 0.000 2.466 1219 A HA 0.339 4.659 4.320 -0.000 0.000 0.238 1219 A C -0.727 176.952 177.584 0.160 0.000 1.074 1219 A CA -0.030 52.077 52.037 0.117 0.000 0.774 1219 A CB -0.083 18.938 19.000 0.034 0.000 1.015 1219 A HN 0.479 nan 8.150 nan 0.000 0.498 1220 L N 1.710 123.064 121.223 0.218 0.000 2.334 1220 L HA 0.619 4.959 4.340 -0.000 0.000 0.276 1220 L C 0.515 177.442 176.870 0.096 0.000 1.014 1220 L CA 0.086 55.009 54.840 0.139 0.000 0.815 1220 L CB 1.753 43.885 42.059 0.122 0.000 1.268 1220 L HN 0.791 nan 8.230 nan 0.000 0.428 1221 R N -0.153 120.371 120.500 0.040 0.000 2.807 1221 R HA 0.697 5.037 4.340 -0.000 0.000 0.276 1221 R C -0.468 175.832 176.300 0.000 0.000 0.979 1221 R CA -0.870 55.237 56.100 0.012 0.000 0.928 1221 R CB 2.039 32.330 30.300 -0.015 0.000 1.191 1221 R HN 0.732 nan 8.270 nan 0.000 0.471 1222 T N -1.003 113.544 114.554 -0.013 0.000 2.849 1222 T HA 0.516 4.866 4.350 -0.000 0.000 0.284 1222 T C 0.639 175.346 174.700 0.012 0.000 1.004 1222 T CA -0.836 61.259 62.100 -0.009 0.000 1.021 1222 T CB 1.155 70.007 68.868 -0.028 0.000 1.013 1222 T HN 0.628 nan 8.240 nan 0.000 0.527 1223 A N 2.697 125.530 122.820 0.022 0.000 2.466 1223 A HA 0.505 4.825 4.320 -0.000 0.000 0.238 1223 A C -1.818 175.802 177.584 0.060 0.000 1.074 1223 A CA -1.259 50.798 52.037 0.034 0.000 0.774 1223 A CB -0.817 18.203 19.000 0.034 0.000 1.015 1223 A HN 0.826 nan 8.150 nan 0.000 0.498 1224 P HA 0.403 nan 4.420 nan 0.000 0.274 1224 P C -0.631 176.745 177.300 0.127 0.000 1.231 1224 P CA 0.073 63.235 63.100 0.103 0.000 0.790 1224 P CB 0.616 32.358 31.700 0.071 0.000 0.951 1225 I N -1.676 119.010 120.570 0.193 0.000 2.603 1225 I HA 0.485 4.655 4.170 -0.000 0.000 0.300 1225 I C -0.393 175.850 176.117 0.210 0.000 1.017 1225 I CA -1.033 60.385 61.300 0.196 0.000 1.098 1225 I CB 2.178 40.315 38.000 0.227 0.000 1.279 1225 I HN 0.183 nan 8.210 nan 0.000 0.437 1226 Q N 4.578 124.476 119.800 0.163 0.000 3.075 1226 Q HA 0.380 4.720 4.340 -0.000 0.000 0.318 1226 Q C -2.478 173.610 176.000 0.146 0.000 0.907 1226 Q CA -1.712 54.170 55.803 0.131 0.000 0.882 1226 Q CB 1.010 29.792 28.738 0.074 0.000 1.386 1226 Q HN 0.545 nan 8.270 nan 0.000 0.408 1227 P HA 0.110 nan 4.420 nan 0.000 0.272 1227 P C -0.490 176.906 177.300 0.160 0.000 1.230 1227 P CA -0.162 63.051 63.100 0.187 0.000 0.788 1227 P CB 1.142 32.965 31.700 0.205 0.000 0.949 1228 R N 0.183 120.787 120.500 0.173 0.000 2.670 1228 R HA 0.478 4.818 4.340 -0.000 0.000 0.289 1228 R C -0.835 175.522 176.300 0.095 0.000 0.965 1228 R CA -1.167 54.983 56.100 0.083 0.000 0.899 1228 R CB 1.984 32.312 30.300 0.046 0.000 1.173 1228 R HN 0.227 nan 8.270 nan 0.000 0.456 1229 V N 3.022 122.916 119.914 -0.034 0.000 2.427 1229 V HA 0.152 4.272 4.120 -0.000 0.000 0.268 1229 V C -0.644 175.379 176.094 -0.118 0.000 1.046 1229 V CA -0.190 62.108 62.300 -0.004 0.000 0.970 1229 V CB 0.107 31.919 31.823 -0.018 0.000 1.001 1229 V HN 0.604 nan 8.190 nan 0.000 0.476 1230 W N 2.749 124.059 121.300 0.017 0.000 2.573 1230 W HA 0.512 5.172 4.660 -0.000 0.000 0.326 1230 W C 0.619 177.144 176.519 0.009 0.000 1.049 1230 W CA -0.620 56.733 57.345 0.012 0.000 1.220 1230 W CB 1.066 30.533 29.460 0.012 0.000 1.373 1230 W HN 0.444 nan 8.180 nan 0.000 0.507 1231 E N 0.000 120.338 120.200 0.230 0.000 2.725 1231 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 1231 E CA 0.000 56.493 56.400 0.154 0.000 0.976 1231 E CB 0.000 29.763 29.700 0.106 0.000 0.812 1231 E HN 0.000 nan 8.360 nan 0.000 0.440