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 3gsi_1_A DATA FIRST_RESID 4 DATA SEQUENCE TPRIVIIGAG IVGTNLADEL VTRGWNNITV LDQGPLNMPG GSTSHAPGLV DATA SEQUENCE FQTNPSKTMA SFAKYTVEKL LSLTEDGVSC FNQVGGLEVA TTETRLADLK DATA SEQUENCE RKLGYAAAWG IEGRLLSPAE CQELYPLLDG ENILGGLHVP SDGLASAARA DATA SEQUENCE VQLLIKRTES AGVTYRGSTT VTGIEQSGGR VTGVQTADGV IPADIVVSCA DATA SEQUENCE GFWGAKIGAM IGMAVPLLPL AHQYVKTTPV PAQQGRNDQP NGARLPILRH DATA SEQUENCE QDQDLYYREH GDRYGIGSYA HRPMPVDVDT LGAYAPETVS EHHMPSRLDF DATA SEQUENCE TLEDFLPAWE ATKQLLPALA DSEIEDGFNG IFSFTPDGGP LLGESKELDG DATA SEQUENCE FYVAEAVWVT HSAGVAKAMA ELLTTGRSET DLGECDITRF EDVQLTPEYV DATA SEQUENCE SETSQQNFVE IYDVLHPLQP RLSPRNLRVS PFHARHKELG AFFLEAGGWE DATA SEQUENCE RPYWFEANAA LLKEMPAEWL PPARDAWSGM FSSPIAAAEA WKTRTAVAMY DATA SEQUENCE DMTPLKRLEV SGPGALKLLQ ELTTADLAKK PGAVTYTLLL DHAGGVRSAI DATA SEQUENCE TVARLSEDTF QLGANGNIDT AYFERAARHQ TQSGSATDWV QVRDTTGGTC DATA SEQUENCE CIGLWGPLAR DLVSKVSDDD FTNDGLKYFR AKNVVIGGIP VTAMRLSYVG DATA SEQUENCE ELGWELYTSA DNGQRLWDAL WQAGQPFGVI AAGRAAFSSL RLEKGYRSWG DATA SEQUENCE TDMTTEHDPF EAGLGFAVKM AKESFIGKGA LEGRTEEASA RRLRCLTIDD DATA SEQUENCE GRSIVLGKEP VFYKEQAVGY VTSAAYGYTV AKPIAYSYLP GTVSVGDSVD DATA SEQUENCE IEYFGRRITA TVTEDPLYDP KMTRLRG 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.323 174.700 -0.629 0.000 1.109 4 T CA 0.000 61.614 62.100 -0.811 0.000 1.349 4 T CB 0.000 68.081 68.868 -1.312 0.000 0.612 5 P HA 0.402 nan 4.420 nan 0.000 0.269 5 P C -0.426 176.742 177.300 -0.219 0.000 1.215 5 P CA -0.512 62.381 63.100 -0.345 0.000 0.780 5 P CB 0.346 31.902 31.700 -0.241 0.000 0.898 6 R N 1.753 122.182 120.500 -0.118 0.000 2.370 6 R HA 0.342 4.682 4.340 -0.000 0.000 0.309 6 R C -0.108 176.176 176.300 -0.027 0.000 1.059 6 R CA 0.055 56.113 56.100 -0.070 0.000 0.981 6 R CB -0.140 30.128 30.300 -0.052 0.000 0.972 6 R HN 0.448 nan 8.270 nan 0.000 0.437 7 I N 2.941 123.501 120.570 -0.017 0.000 2.433 7 I HA 0.307 4.477 4.170 -0.000 0.000 0.292 7 I C -0.497 175.600 176.117 -0.033 0.000 1.001 7 I CA -1.080 60.220 61.300 -0.000 0.000 1.119 7 I CB 2.080 40.099 38.000 0.032 0.000 1.289 7 I HN 0.213 nan 8.210 nan 0.000 0.438 8 V N 6.992 126.885 119.914 -0.035 0.000 2.417 8 V HA 0.461 4.581 4.120 -0.000 0.000 0.291 8 V C -0.055 175.992 176.094 -0.078 0.000 1.024 8 V CA -0.508 61.757 62.300 -0.057 0.000 0.861 8 V CB 1.876 33.678 31.823 -0.035 0.000 0.985 8 V HN 0.472 nan 8.190 nan 0.000 0.436 9 I N 5.454 125.965 120.570 -0.099 0.000 2.354 9 I HA 0.436 4.605 4.170 -0.000 0.000 0.292 9 I C -0.319 175.744 176.117 -0.091 0.000 0.989 9 I CA -0.330 60.908 61.300 -0.102 0.000 1.188 9 I CB 1.596 39.533 38.000 -0.107 0.000 1.342 9 I HN 0.448 nan 8.210 nan 0.000 0.457 10 I N 6.265 126.786 120.570 -0.082 0.000 2.291 10 I HA 0.524 4.694 4.170 -0.000 0.000 0.292 10 I C 0.517 176.592 176.117 -0.071 0.000 1.064 10 I CA -0.099 61.160 61.300 -0.069 0.000 1.269 10 I CB 0.675 38.650 38.000 -0.042 0.000 1.418 10 I HN 0.819 nan 8.210 nan 0.000 0.485 11 G N 4.546 113.298 108.800 -0.080 0.000 3.187 11 G HA2 0.163 4.123 3.960 -0.000 0.000 0.682 11 G HA3 0.163 4.123 3.960 -0.000 0.000 0.682 11 G C -0.521 174.360 174.900 -0.031 0.000 1.266 11 G CA -0.390 44.662 45.100 -0.080 0.000 0.902 11 G HN 0.855 nan 8.290 nan 0.000 0.589 12 A N 1.660 124.470 122.820 -0.016 0.000 3.106 12 A HA 0.796 5.116 4.320 -0.000 0.000 0.306 12 A C 1.276 178.864 177.584 0.007 0.000 1.192 12 A CA 0.985 53.049 52.037 0.045 0.000 0.994 12 A CB -0.189 18.875 19.000 0.107 0.000 1.107 12 A HN 2.065 nan 8.150 nan 0.000 0.585 13 G N -0.557 108.239 108.800 -0.005 0.000 2.508 13 G HA2 0.370 4.330 3.960 -0.000 0.000 0.278 13 G HA3 0.370 4.330 3.960 -0.000 0.000 0.278 13 G C 0.924 175.827 174.900 0.004 0.000 1.389 13 G CA -0.158 44.938 45.100 -0.005 0.000 1.050 13 G HN 0.330 nan 8.290 nan 0.000 0.522 14 I N -0.628 119.944 120.570 0.003 0.000 2.454 14 I HA -0.122 4.048 4.170 -0.000 0.000 0.254 14 I C 2.542 178.665 176.117 0.011 0.000 1.156 14 I CA 1.044 62.349 61.300 0.008 0.000 1.433 14 I CB 0.017 38.024 38.000 0.012 0.000 1.082 14 I HN 0.137 nan 8.210 nan 0.000 0.432 15 V N 0.505 120.426 119.914 0.011 0.000 2.255 15 V HA -0.112 4.008 4.120 -0.000 0.000 0.243 15 V C 2.556 178.646 176.094 -0.007 0.000 1.038 15 V CA 1.885 64.186 62.300 0.001 0.000 1.008 15 V CB -1.648 30.178 31.823 0.005 0.000 0.645 15 V HN 0.514 nan 8.190 nan 0.000 0.449 16 G N 0.302 109.101 108.800 -0.002 0.000 2.422 16 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 16 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 16 G C 1.770 176.685 174.900 0.025 0.000 1.146 16 G CA 1.746 46.843 45.100 -0.005 0.000 0.769 16 G HN 0.577 nan 8.290 nan 0.000 0.547 17 T N -1.365 113.223 114.554 0.056 0.000 2.896 17 T HA -0.038 4.312 4.350 -0.000 0.000 0.263 17 T C 2.095 176.829 174.700 0.057 0.000 1.050 17 T CA 1.091 63.250 62.100 0.099 0.000 1.140 17 T CB -0.267 68.650 68.868 0.082 0.000 0.877 17 T HN 0.153 nan 8.240 nan 0.000 0.457 18 N N 1.099 119.814 118.700 0.025 0.000 2.223 18 N HA -0.023 4.717 4.740 -0.000 0.000 0.185 18 N C 1.791 177.301 175.510 0.000 0.000 1.016 18 N CA 1.022 54.080 53.050 0.014 0.000 0.863 18 N CB -0.327 38.165 38.487 0.008 0.000 0.983 18 N HN 0.297 nan 8.380 nan 0.000 0.429 19 L N 1.405 122.617 121.223 -0.019 0.000 2.027 19 L HA 0.006 4.346 4.340 -0.000 0.000 0.206 19 L C 2.235 179.081 176.870 -0.041 0.000 1.074 19 L CA 1.587 56.396 54.840 -0.052 0.000 0.745 19 L CB -1.074 40.941 42.059 -0.073 0.000 0.898 19 L HN 0.061 nan 8.230 nan 0.000 0.433 20 A N -0.558 122.251 122.820 -0.017 0.000 1.892 20 A HA -0.348 3.972 4.320 -0.000 0.000 0.218 20 A C 2.111 179.706 177.584 0.018 0.000 1.188 20 A CA 2.245 54.279 52.037 -0.005 0.000 0.631 20 A CB -1.253 17.755 19.000 0.014 0.000 0.822 20 A HN 0.614 nan 8.150 nan 0.000 0.447 21 D N -0.814 119.606 120.400 0.033 0.000 2.104 21 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 21 D C 1.922 178.230 176.300 0.014 0.000 0.994 21 D CA 1.576 55.595 54.000 0.032 0.000 0.830 21 D CB -0.077 40.743 40.800 0.035 0.000 0.959 21 D HN 0.430 nan 8.370 nan 0.000 0.452 22 E N -0.182 120.015 120.200 -0.005 0.000 2.153 22 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 22 E C 2.406 178.964 176.600 -0.071 0.000 0.988 22 E CA 0.377 56.758 56.400 -0.031 0.000 0.811 22 E CB -0.134 29.533 29.700 -0.056 0.000 0.746 22 E HN 0.453 nan 8.360 nan 0.000 0.466 23 L N 0.117 121.298 121.223 -0.070 0.000 2.044 23 L HA -0.129 4.211 4.340 -0.000 0.000 0.205 23 L C 2.566 179.447 176.870 0.019 0.000 1.075 23 L CA 0.571 55.366 54.840 -0.076 0.000 0.747 23 L CB -0.492 41.550 42.059 -0.028 0.000 0.903 23 L HN -0.041 nan 8.230 nan 0.000 0.435 24 V N 0.280 120.218 119.914 0.040 0.000 2.282 24 V HA -0.356 3.764 4.120 -0.000 0.000 0.249 24 V C 2.736 178.858 176.094 0.047 0.000 1.057 24 V CA 2.575 64.910 62.300 0.059 0.000 1.032 24 V CB -1.022 30.830 31.823 0.048 0.000 0.645 24 V HN 0.724 nan 8.190 nan 0.000 0.447 25 T N -1.784 112.784 114.554 0.023 0.000 3.051 25 T HA -0.162 4.187 4.350 -0.000 0.000 0.269 25 T C 1.633 176.339 174.700 0.010 0.000 1.127 25 T CA 1.084 63.195 62.100 0.018 0.000 1.107 25 T CB -0.344 68.532 68.868 0.013 0.000 0.898 25 T HN 0.488 nan 8.240 nan 0.000 0.517 26 R N 0.235 120.733 120.500 -0.004 0.000 2.393 26 R HA 0.408 4.748 4.340 -0.000 0.000 0.244 26 R C 1.660 178.022 176.300 0.103 0.000 0.920 26 R CA 0.337 56.426 56.100 -0.018 0.000 1.076 26 R CB 0.309 30.515 30.300 -0.157 0.000 1.119 26 R HN 0.526 nan 8.270 nan 0.000 0.524 27 G N -0.009 108.879 108.800 0.148 0.000 2.157 27 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.239 27 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.239 27 G C -0.676 174.417 174.900 0.321 0.000 0.982 27 G CA -0.419 44.802 45.100 0.202 0.000 0.650 27 G HN 0.195 nan 8.290 nan 0.000 0.527 28 W N 1.958 123.235 121.300 -0.038 0.000 2.288 28 W HA 0.644 5.304 4.660 -0.000 0.000 0.325 28 W C 0.729 177.220 176.519 -0.046 0.000 1.019 28 W CA -0.844 56.473 57.345 -0.046 0.000 1.403 28 W CB 0.533 29.957 29.460 -0.060 0.000 1.226 28 W HN 0.300 nan 8.180 nan 0.000 0.391 29 N N 0.606 119.369 118.700 0.104 0.000 2.177 29 N HA -0.014 4.725 4.740 -0.000 0.000 0.218 29 N C 0.009 175.518 175.510 -0.002 0.000 1.182 29 N CA -0.165 52.914 53.050 0.048 0.000 0.882 29 N CB -0.235 38.272 38.487 0.034 0.000 1.052 29 N HN 0.118 nan 8.380 nan 0.000 0.519 30 N N 1.435 120.117 118.700 -0.030 0.000 3.178 30 N HA 0.196 4.936 4.740 -0.000 0.000 0.300 30 N C -1.143 174.339 175.510 -0.047 0.000 1.242 30 N CA -0.037 52.978 53.050 -0.058 0.000 1.192 30 N CB -0.515 37.910 38.487 -0.103 0.000 1.463 30 N HN 0.359 nan 8.380 nan 0.000 0.539 31 I N 0.216 120.755 120.570 -0.052 0.000 2.498 31 I HA 0.245 4.415 4.170 -0.000 0.000 0.290 31 I C -0.164 175.873 176.117 -0.133 0.000 1.032 31 I CA -0.689 60.566 61.300 -0.076 0.000 1.073 31 I CB 2.269 40.227 38.000 -0.071 0.000 1.251 31 I HN -0.052 nan 8.210 nan 0.000 0.426 32 T N 5.191 119.660 114.554 -0.141 0.000 2.792 32 T HA 0.467 4.817 4.350 -0.000 0.000 0.280 32 T C -0.319 174.243 174.700 -0.230 0.000 0.990 32 T CA -0.469 61.522 62.100 -0.182 0.000 0.960 32 T CB 1.696 70.498 68.868 -0.110 0.000 0.939 32 T HN 0.168 nan 8.240 nan 0.000 0.439 33 V N 5.410 125.095 119.914 -0.381 0.000 2.394 33 V HA 0.482 4.601 4.120 -0.000 0.000 0.282 33 V C -0.138 175.860 176.094 -0.161 0.000 1.031 33 V CA -0.780 61.325 62.300 -0.324 0.000 0.881 33 V CB 1.052 32.525 31.823 -0.584 0.000 0.982 33 V HN 0.708 nan 8.190 nan 0.000 0.451 34 L N 4.294 125.462 121.223 -0.090 0.000 2.334 34 L HA 0.740 5.080 4.340 -0.000 0.000 0.276 34 L C -0.575 176.262 176.870 -0.055 0.000 1.014 34 L CA -0.371 54.435 54.840 -0.056 0.000 0.815 34 L CB 1.921 43.944 42.059 -0.060 0.000 1.268 34 L HN 0.576 nan 8.230 nan 0.000 0.428 35 D N 0.794 121.163 120.400 -0.052 0.000 2.977 35 D HA 0.086 4.726 4.640 -0.000 0.000 0.220 35 D C 0.122 176.356 176.300 -0.110 0.000 1.267 35 D CA -0.333 53.608 54.000 -0.100 0.000 0.884 35 D CB 2.294 43.051 40.800 -0.072 0.000 1.667 35 D HN 0.708 nan 8.370 nan 0.000 0.536 36 Q N 1.564 121.257 119.800 -0.178 0.000 2.291 36 Q HA 0.091 4.430 4.340 -0.000 0.000 0.205 36 Q C 0.871 176.808 176.000 -0.105 0.000 0.970 36 Q CA 0.402 56.116 55.803 -0.149 0.000 0.876 36 Q CB 0.176 28.783 28.738 -0.218 0.000 0.935 36 Q HN 0.277 nan 8.270 nan 0.000 0.455 37 G N 2.013 110.739 108.800 -0.124 0.000 2.547 37 G HA2 0.447 4.407 3.960 -0.000 0.000 0.291 37 G HA3 0.447 4.407 3.960 -0.000 0.000 0.291 37 G C -2.680 172.197 174.900 -0.039 0.000 1.211 37 G CA -1.578 43.479 45.100 -0.073 0.000 0.950 37 G HN 0.067 nan 8.290 nan 0.000 0.504 38 P HA 0.194 nan 4.420 nan 0.000 0.278 38 P C 1.032 178.318 177.300 -0.023 0.000 1.238 38 P CA -0.466 62.628 63.100 -0.010 0.000 0.794 38 P CB 1.328 33.029 31.700 0.002 0.000 0.955 39 L N 1.650 122.859 121.223 -0.023 0.000 2.131 39 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 39 L C 2.169 179.001 176.870 -0.064 0.000 1.092 39 L CA 1.495 56.307 54.840 -0.046 0.000 0.759 39 L CB -0.853 41.171 42.059 -0.059 0.000 0.903 39 L HN 0.536 nan 8.230 nan 0.000 0.435 40 N N 0.206 118.879 118.700 -0.046 0.000 2.457 40 N HA -0.148 4.592 4.740 -0.000 0.000 0.180 40 N C 0.929 176.415 175.510 -0.039 0.000 1.050 40 N CA 0.570 53.592 53.050 -0.045 0.000 0.906 40 N CB 0.387 38.855 38.487 -0.031 0.000 0.968 40 N HN 0.348 nan 8.380 nan 0.000 0.445 41 M N 0.093 119.673 119.600 -0.034 0.000 2.450 41 M HA 0.271 4.751 4.480 -0.000 0.000 0.194 41 M C -2.705 173.573 176.300 -0.037 0.000 1.021 41 M CA -1.167 54.112 55.300 -0.035 0.000 0.915 41 M CB 1.891 34.476 32.600 -0.026 0.000 2.919 41 M HN -0.283 nan 8.290 nan 0.000 0.374 42 P HA 0.088 nan 4.420 nan 0.000 0.218 42 P C 0.917 178.181 177.300 -0.060 0.000 1.149 42 P CA 2.432 65.499 63.100 -0.056 0.000 0.817 42 P CB 0.324 31.988 31.700 -0.061 0.000 0.785 43 G N -2.898 105.879 108.800 -0.038 0.000 2.179 43 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.220 43 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.220 43 G C 0.610 175.567 174.900 0.095 0.000 0.990 43 G CA -0.339 44.748 45.100 -0.020 0.000 0.646 43 G HN 0.642 nan 8.290 nan 0.000 0.517 44 G N -0.007 108.858 108.800 0.108 0.000 2.553 44 G HA2 0.503 4.463 3.960 -0.000 0.000 0.278 44 G HA3 0.503 4.463 3.960 -0.000 0.000 0.278 44 G C 1.309 176.279 174.900 0.117 0.000 1.349 44 G CA 0.928 46.176 45.100 0.247 0.000 1.037 44 G HN 0.671 nan 8.290 nan 0.000 0.508 45 S N -0.849 114.927 115.700 0.127 0.000 2.402 45 S HA -0.166 4.304 4.470 -0.000 0.000 0.233 45 S C 2.494 176.838 174.600 -0.426 0.000 1.030 45 S CA 1.847 59.903 58.200 -0.240 0.000 1.003 45 S CB -0.414 62.820 63.200 0.057 0.000 0.813 45 S HN 0.630 nan 8.310 nan 0.000 0.477 46 T N 2.066 116.525 114.554 -0.157 0.000 2.803 46 T HA -0.065 4.285 4.350 -0.000 0.000 0.269 46 T C 1.888 176.506 174.700 -0.138 0.000 1.052 46 T CA 1.382 63.409 62.100 -0.122 0.000 1.136 46 T CB -0.353 68.486 68.868 -0.050 0.000 0.864 46 T HN 0.377 nan 8.240 nan 0.000 0.467 47 S N 0.556 116.176 115.700 -0.133 0.000 2.555 47 S HA -0.063 4.406 4.470 -0.000 0.000 0.230 47 S C 1.421 175.971 174.600 -0.083 0.000 0.978 47 S CA 0.477 58.621 58.200 -0.092 0.000 0.934 47 S CB -0.313 62.851 63.200 -0.059 0.000 0.766 47 S HN 0.839 nan 8.310 nan 0.000 0.533 48 H N -1.512 117.530 119.070 -0.047 0.000 3.233 48 H HA 0.568 5.124 4.556 -0.000 0.000 0.263 48 H C 0.335 175.661 175.328 -0.004 0.000 1.168 48 H CA -0.215 55.784 56.048 -0.081 0.000 1.159 48 H CB -0.036 29.620 29.762 -0.177 0.000 1.593 48 H HN 0.211 nan 8.280 nan 0.000 0.580 49 A N 3.663 126.460 122.820 -0.038 0.000 2.440 49 A HA 0.213 4.533 4.320 -0.000 0.000 0.251 49 A C -0.876 176.703 177.584 -0.008 0.000 1.089 49 A CA -1.080 50.966 52.037 0.015 0.000 0.779 49 A CB 0.481 19.456 19.000 -0.041 0.000 1.022 49 A HN 0.328 nan 8.150 nan 0.000 0.492 50 P HA 0.021 nan 4.420 nan 0.000 0.229 50 P C 0.913 178.240 177.300 0.045 0.000 1.160 50 P CA 1.218 64.298 63.100 -0.034 0.000 0.777 50 P CB 0.134 31.754 31.700 -0.134 0.000 0.814 51 G N -0.383 108.443 108.800 0.043 0.000 2.137 51 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.237 51 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.237 51 G C -0.254 174.655 174.900 0.016 0.000 1.002 51 G CA -0.363 44.759 45.100 0.037 0.000 0.702 51 G HN 0.234 nan 8.290 nan 0.000 0.515 52 L N 0.405 121.632 121.223 0.007 0.000 2.410 52 L HA 0.496 4.836 4.340 -0.000 0.000 0.273 52 L C 0.640 177.463 176.870 -0.078 0.000 1.152 52 L CA 0.047 54.843 54.840 -0.074 0.000 0.855 52 L CB 1.688 43.716 42.059 -0.052 0.000 1.129 52 L HN 0.017 nan 8.230 nan 0.000 0.463 53 V N 5.039 124.870 119.914 -0.140 0.000 2.325 53 V HA 0.348 4.467 4.120 -0.000 0.000 0.280 53 V C -0.517 175.474 176.094 -0.172 0.000 1.016 53 V CA -0.425 61.847 62.300 -0.047 0.000 0.818 53 V CB 0.541 32.475 31.823 0.186 0.000 1.019 53 V HN 0.382 nan 8.190 nan 0.000 0.434 54 F N 3.215 123.152 119.950 -0.022 0.000 2.388 54 F HA 0.392 4.919 4.527 -0.000 0.000 0.358 54 F C 1.421 177.215 175.800 -0.010 0.000 1.122 54 F CA -0.254 57.742 58.000 -0.006 0.000 1.056 54 F CB 1.855 40.827 39.000 -0.048 0.000 1.155 54 F HN 0.445 nan 8.300 nan 0.000 0.461 55 Q N 0.739 120.648 119.800 0.181 0.000 2.187 55 Q HA -0.006 4.334 4.340 -0.000 0.000 0.199 55 Q C 0.525 176.633 176.000 0.179 0.000 0.957 55 Q CA 0.717 56.607 55.803 0.145 0.000 0.857 55 Q CB 0.013 28.818 28.738 0.111 0.000 0.929 55 Q HN 0.562 nan 8.270 nan 0.000 0.453 56 T N 1.927 116.601 114.554 0.199 0.000 2.916 56 T HA 0.164 4.514 4.350 -0.000 0.000 0.303 56 T C -0.118 174.701 174.700 0.199 0.000 1.025 56 T CA -0.035 62.199 62.100 0.222 0.000 1.142 56 T CB 0.379 69.362 68.868 0.191 0.000 0.947 56 T HN 0.150 nan 8.240 nan 0.000 0.544 57 N N 2.281 121.120 118.700 0.232 0.000 2.636 57 N HA 0.206 4.946 4.740 -0.000 0.000 0.261 57 N C -2.471 173.000 175.510 -0.066 0.000 1.195 57 N CA -1.657 51.443 53.050 0.083 0.000 0.902 57 N CB 2.473 40.980 38.487 0.034 0.000 1.627 57 N HN 0.135 nan 8.380 nan 0.000 0.491 58 P HA -0.054 nan 4.420 nan 0.000 0.222 58 P C 0.438 177.555 177.300 -0.304 0.000 1.147 58 P CA 0.781 63.343 63.100 -0.897 0.000 0.790 58 P CB 0.219 31.595 31.700 -0.540 0.000 0.780 59 S N 0.146 115.676 115.700 -0.282 0.000 2.430 59 S HA 0.174 4.644 4.470 -0.000 0.000 0.289 59 S C 1.323 175.402 174.600 -0.868 0.000 1.143 59 S CA -0.709 57.236 58.200 -0.424 0.000 1.067 59 S CB 0.505 63.503 63.200 -0.337 0.000 0.964 59 S HN -0.062 nan 8.310 nan 0.000 0.485 60 K N 3.478 123.029 120.400 -1.416 0.000 2.044 60 K HA -0.141 4.179 4.320 -0.000 0.000 0.210 60 K C 1.630 177.575 176.600 -1.091 0.000 1.049 60 K CA 2.201 57.270 56.287 -2.029 0.000 0.927 60 K CB -0.576 30.798 32.500 -1.876 0.000 0.713 60 K HN 0.718 nan 8.250 nan 0.000 0.443 61 T N 1.263 115.318 114.554 -0.831 0.000 2.708 61 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 61 T C 1.786 175.891 174.700 -0.992 0.000 1.037 61 T CA 1.430 63.017 62.100 -0.854 0.000 1.146 61 T CB -0.053 68.363 68.868 -0.753 0.000 0.865 61 T HN 0.182 nan 8.240 nan 0.000 0.435 62 M N 1.170 120.333 119.600 -0.728 0.000 2.175 62 M HA 0.116 4.596 4.480 -0.000 0.000 0.264 62 M C 2.752 178.899 176.300 -0.255 0.000 1.063 62 M CA 1.032 55.995 55.300 -0.562 0.000 1.119 62 M CB -1.641 30.669 32.600 -0.483 0.000 1.377 62 M HN 0.292 nan 8.290 nan 0.000 0.415 63 A N 0.603 123.224 122.820 -0.332 0.000 1.902 63 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 63 A C 2.454 179.982 177.584 -0.092 0.000 1.181 63 A CA 2.401 54.348 52.037 -0.150 0.000 0.623 63 A CB -0.935 17.929 19.000 -0.228 0.000 0.818 63 A HN 0.607 nan 8.150 nan 0.000 0.443 64 S N -0.703 114.851 115.700 -0.243 0.000 2.383 64 S HA -0.102 4.368 4.470 -0.000 0.000 0.227 64 S C 1.863 176.540 174.600 0.128 0.000 1.026 64 S CA 1.175 59.318 58.200 -0.096 0.000 0.981 64 S CB -0.987 62.099 63.200 -0.189 0.000 0.818 64 S HN 0.551 nan 8.310 nan 0.000 0.472 65 F N 2.165 122.123 119.950 0.013 0.000 2.171 65 F HA -0.074 4.453 4.527 -0.000 0.000 0.300 65 F C 3.011 178.923 175.800 0.186 0.000 1.090 65 F CA 0.523 58.591 58.000 0.114 0.000 1.293 65 F CB -0.366 38.704 39.000 0.116 0.000 1.013 65 F HN 0.366 nan 8.300 nan 0.000 0.486 66 A N 0.347 123.398 122.820 0.384 0.000 1.897 66 A HA -0.151 4.169 4.320 -0.000 0.000 0.215 66 A C 2.079 179.711 177.584 0.079 0.000 1.181 66 A CA 1.206 53.367 52.037 0.208 0.000 0.620 66 A CB -0.506 18.598 19.000 0.174 0.000 0.821 66 A HN 0.234 nan 8.150 nan 0.000 0.443 67 K N -1.620 118.837 120.400 0.095 0.000 2.063 67 K HA -0.197 4.122 4.320 -0.000 0.000 0.208 67 K C 1.953 178.573 176.600 0.033 0.000 1.048 67 K CA 1.864 58.177 56.287 0.044 0.000 0.928 67 K CB -0.375 32.167 32.500 0.071 0.000 0.713 67 K HN 0.614 nan 8.250 nan 0.000 0.442 68 Y N 1.883 122.184 120.300 0.002 0.000 2.242 68 Y HA -0.198 4.352 4.550 -0.000 0.000 0.291 68 Y C 2.203 178.065 175.900 -0.063 0.000 1.137 68 Y CA 1.580 59.670 58.100 -0.015 0.000 1.181 68 Y CB -0.381 38.096 38.460 0.029 0.000 0.989 68 Y HN -0.033 nan 8.280 nan 0.000 0.527 69 T N -0.369 114.120 114.554 -0.109 0.000 2.746 69 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 69 T C 2.067 176.526 174.700 -0.402 0.000 1.039 69 T CA 1.653 63.617 62.100 -0.227 0.000 1.142 69 T CB -0.721 68.102 68.868 -0.074 0.000 0.866 69 T HN 0.198 nan 8.240 nan 0.000 0.444 70 V N 1.433 121.073 119.914 -0.458 0.000 2.295 70 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 70 V C 2.568 178.317 176.094 -0.576 0.000 1.049 70 V CA 1.984 63.796 62.300 -0.812 0.000 1.024 70 V CB -0.567 30.863 31.823 -0.656 0.000 0.648 70 V HN 0.573 nan 8.190 nan 0.000 0.447 71 E N 0.316 120.287 120.200 -0.381 0.000 2.077 71 E HA -0.290 4.060 4.350 -0.000 0.000 0.193 71 E C 2.332 178.735 176.600 -0.329 0.000 0.989 71 E CA 1.648 57.877 56.400 -0.286 0.000 0.800 71 E CB -0.126 29.456 29.700 -0.198 0.000 0.746 71 E HN 0.541 nan 8.360 nan 0.000 0.452 72 K N 0.272 120.374 120.400 -0.497 0.000 2.057 72 K HA -0.093 4.226 4.320 -0.000 0.000 0.206 72 K C 2.307 178.759 176.600 -0.247 0.000 1.050 72 K CA 0.992 57.019 56.287 -0.434 0.000 0.935 72 K CB -0.032 32.098 32.500 -0.616 0.000 0.715 72 K HN 0.205 nan 8.250 nan 0.000 0.439 73 L N 0.893 121.968 121.223 -0.247 0.000 2.201 73 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 73 L C 2.239 179.096 176.870 -0.023 0.000 1.105 73 L CA 0.614 55.390 54.840 -0.106 0.000 0.775 73 L CB -0.208 41.819 42.059 -0.053 0.000 0.913 73 L HN 0.203 nan 8.230 nan 0.000 0.440 74 L N -0.512 120.671 121.223 -0.066 0.000 2.141 74 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 74 L C 2.629 179.494 176.870 -0.009 0.000 1.094 74 L CA 1.443 56.293 54.840 0.017 0.000 0.763 74 L CB -0.321 41.733 42.059 -0.008 0.000 0.908 74 L HN 0.367 nan 8.230 nan 0.000 0.437 75 S N -0.989 114.680 115.700 -0.051 0.000 2.558 75 S HA 0.033 4.503 4.470 -0.000 0.000 0.217 75 S C 0.581 175.163 174.600 -0.030 0.000 0.975 75 S CA -0.301 57.876 58.200 -0.039 0.000 0.912 75 S CB -0.040 63.126 63.200 -0.056 0.000 0.776 75 S HN 0.139 nan 8.310 nan 0.000 0.526 76 L N 2.612 123.817 121.223 -0.030 0.000 2.282 76 L HA 0.612 4.951 4.340 -0.000 0.000 0.287 76 L C -0.258 176.608 176.870 -0.007 0.000 1.075 76 L CA 0.525 55.352 54.840 -0.022 0.000 0.839 76 L CB 0.761 42.803 42.059 -0.029 0.000 1.219 76 L HN 0.230 nan 8.230 nan 0.000 0.434 77 T N 4.147 118.697 114.554 -0.007 0.000 2.900 77 T HA 0.596 4.946 4.350 -0.000 0.000 0.303 77 T C -1.571 173.126 174.700 -0.005 0.000 1.142 77 T CA -0.522 61.577 62.100 -0.002 0.000 1.007 77 T CB 1.327 70.195 68.868 0.000 0.000 1.156 77 T HN 0.691 nan 8.240 nan 0.000 0.490 78 E N 1.787 121.985 120.200 -0.004 0.000 2.354 78 E HA 0.330 4.680 4.350 -0.000 0.000 0.283 78 E C -1.131 175.467 176.600 -0.004 0.000 0.938 78 E CA -0.540 55.857 56.400 -0.006 0.000 0.777 78 E CB 1.087 30.781 29.700 -0.009 0.000 1.222 78 E HN 0.750 nan 8.360 nan 0.000 0.423 79 D N 2.831 123.228 120.400 -0.004 0.000 2.751 79 D HA -0.224 4.415 4.640 -0.000 0.000 0.233 79 D C 0.741 177.040 176.300 -0.002 0.000 1.149 79 D CA 1.792 55.790 54.000 -0.003 0.000 0.682 79 D CB -1.458 39.340 40.800 -0.004 0.000 1.068 79 D HN 0.995 nan 8.370 nan 0.000 0.429 80 G N -2.081 106.718 108.800 -0.001 0.000 2.168 80 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.263 80 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.263 80 G C 0.290 175.190 174.900 0.000 0.000 0.977 80 G CA 0.361 45.461 45.100 -0.000 0.000 0.659 80 G HN 0.658 nan 8.290 nan 0.000 0.533 81 V N 1.884 121.798 119.914 -0.000 0.000 2.378 81 V HA 0.660 4.780 4.120 -0.000 0.000 0.288 81 V C 0.934 177.031 176.094 0.004 0.000 1.016 81 V CA -0.161 62.139 62.300 -0.000 0.000 0.840 81 V CB 1.389 33.210 31.823 -0.003 0.000 0.994 81 V HN 0.851 nan 8.190 nan 0.000 0.431 82 S N 3.526 119.233 115.700 0.012 0.000 2.640 82 S HA 0.139 4.609 4.470 -0.000 0.000 0.262 82 S C 0.655 175.274 174.600 0.031 0.000 1.232 82 S CA -0.271 57.943 58.200 0.024 0.000 0.988 82 S CB 0.953 64.179 63.200 0.042 0.000 1.034 82 S HN 0.684 nan 8.310 nan 0.000 0.569 83 C N 0.297 119.629 119.300 0.054 0.000 2.778 83 C HA 0.535 4.995 4.460 -0.000 0.000 0.294 83 C C -0.372 174.710 174.990 0.153 0.000 1.331 83 C CA -0.540 58.518 59.018 0.066 0.000 1.741 83 C CB -2.223 25.544 27.740 0.046 0.000 2.106 83 C HN 0.642 nan 8.230 nan 0.000 0.603 84 F N 2.184 122.109 119.950 -0.043 0.000 2.557 84 F HA 0.460 4.987 4.527 -0.000 0.000 0.316 84 F C -0.638 175.137 175.800 -0.041 0.000 1.141 84 F CA -0.814 57.158 58.000 -0.047 0.000 0.922 84 F CB 0.777 39.744 39.000 -0.055 0.000 1.194 84 F HN -0.029 nan 8.300 nan 0.000 0.443 85 N N 4.591 122.964 118.700 -0.545 0.000 2.546 85 N HA 0.133 4.873 4.740 -0.000 0.000 0.238 85 N C -0.861 174.318 175.510 -0.551 0.000 0.984 85 N CA -0.189 52.630 53.050 -0.385 0.000 0.935 85 N CB 0.959 39.280 38.487 -0.276 0.000 1.122 85 N HN 0.761 nan 8.380 nan 0.000 0.510 86 Q N 3.534 123.172 119.800 -0.271 0.000 3.027 86 Q HA 0.122 4.462 4.340 -0.000 0.000 0.260 86 Q C 0.789 176.740 176.000 -0.081 0.000 1.379 86 Q CA -0.311 55.412 55.803 -0.133 0.000 1.038 86 Q CB -0.001 28.824 28.738 0.144 0.000 1.578 86 Q HN 0.613 nan 8.270 nan 0.000 0.571 87 V N -0.724 119.105 119.914 -0.141 0.000 3.573 87 V HA 0.341 4.460 4.120 -0.000 0.000 0.270 87 V C 0.876 176.986 176.094 0.027 0.000 1.221 87 V CA 0.458 62.724 62.300 -0.056 0.000 1.163 87 V CB -1.144 30.630 31.823 -0.081 0.000 0.847 87 V HN 0.650 nan 8.190 nan 0.000 0.468 88 G N -0.824 107.992 108.800 0.027 0.000 2.795 88 G HA2 0.368 4.328 3.960 -0.000 0.000 0.664 88 G HA3 0.368 4.328 3.960 -0.000 0.000 0.664 88 G C -0.124 174.830 174.900 0.090 0.000 1.381 88 G CA -0.269 44.891 45.100 0.099 0.000 0.853 88 G HN 1.635 nan 8.290 nan 0.000 0.545 89 G N -1.519 107.383 108.800 0.169 0.000 2.620 89 G HA2 0.823 4.782 3.960 -0.000 0.000 0.301 89 G HA3 0.823 4.782 3.960 -0.000 0.000 0.301 89 G C -1.538 173.598 174.900 0.394 0.000 1.347 89 G CA -0.057 45.141 45.100 0.164 0.000 0.971 89 G HN 1.782 nan 8.290 nan 0.000 0.488 90 L N 0.354 121.826 121.223 0.414 0.000 2.439 90 L HA 0.600 4.940 4.340 -0.000 0.000 0.270 90 L C -0.612 176.414 176.870 0.260 0.000 0.972 90 L CA -0.604 54.418 54.840 0.303 0.000 0.836 90 L CB 1.941 44.106 42.059 0.178 0.000 1.255 90 L HN 0.588 nan 8.230 nan 0.000 0.404 91 E N 4.546 124.839 120.200 0.156 0.000 2.151 91 E HA 0.571 4.920 4.350 -0.000 0.000 0.275 91 E C -0.797 175.816 176.600 0.022 0.000 0.936 91 E CA -0.812 55.608 56.400 0.033 0.000 0.777 91 E CB 2.389 32.042 29.700 -0.078 0.000 1.108 91 E HN 0.534 nan 8.360 nan 0.000 0.401 92 V N -0.547 119.379 119.914 0.019 0.000 2.732 92 V HA 0.879 4.999 4.120 -0.000 0.000 0.310 92 V C -0.236 175.878 176.094 0.034 0.000 1.053 92 V CA -0.894 61.409 62.300 0.004 0.000 0.957 92 V CB 1.573 33.365 31.823 -0.052 0.000 1.018 92 V HN 0.677 nan 8.190 nan 0.000 0.452 93 A N 2.251 125.084 122.820 0.021 0.000 2.318 93 A HA 0.720 5.040 4.320 -0.000 0.000 0.317 93 A C 0.608 178.218 177.584 0.042 0.000 1.159 93 A CA 0.073 52.131 52.037 0.035 0.000 0.799 93 A CB 1.496 20.502 19.000 0.009 0.000 1.194 93 A HN 1.524 nan 8.150 nan 0.000 0.479 94 T N -1.583 113.018 114.554 0.078 0.000 3.044 94 T HA 0.314 4.664 4.350 -0.000 0.000 0.260 94 T C 0.543 175.274 174.700 0.052 0.000 1.019 94 T CA 0.678 62.820 62.100 0.071 0.000 0.921 94 T CB -0.502 68.445 68.868 0.132 0.000 1.053 94 T HN 1.073 nan 8.240 nan 0.000 0.533 95 T N -1.542 113.038 114.554 0.043 0.000 2.906 95 T HA 0.503 4.853 4.350 -0.000 0.000 0.295 95 T C 0.559 175.270 174.700 0.018 0.000 1.075 95 T CA -0.821 61.298 62.100 0.031 0.000 1.005 95 T CB 2.372 71.262 68.868 0.037 0.000 1.136 95 T HN 0.003 nan 8.240 nan 0.000 0.498 96 E N 0.611 120.818 120.200 0.011 0.000 2.160 96 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 96 E C 1.742 178.338 176.600 -0.005 0.000 0.991 96 E CA 1.558 57.958 56.400 -0.001 0.000 0.810 96 E CB -0.244 29.454 29.700 -0.004 0.000 0.742 96 E HN 0.719 nan 8.360 nan 0.000 0.466 97 T N 0.642 115.203 114.554 0.012 0.000 2.777 97 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 97 T C 1.859 176.562 174.700 0.006 0.000 1.040 97 T CA 1.335 63.447 62.100 0.019 0.000 1.141 97 T CB -0.095 68.807 68.868 0.058 0.000 0.868 97 T HN -0.007 nan 8.240 nan 0.000 0.444 98 R N 0.815 121.322 120.500 0.013 0.000 2.090 98 R HA 0.094 4.433 4.340 -0.000 0.000 0.228 98 R C 2.145 178.434 176.300 -0.020 0.000 1.110 98 R CA 0.866 56.967 56.100 0.002 0.000 0.973 98 R CB -0.971 29.339 30.300 0.017 0.000 0.869 98 R HN 0.292 nan 8.270 nan 0.000 0.440 99 L N 0.199 121.413 121.223 -0.015 0.000 2.017 99 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 99 L C 2.072 178.921 176.870 -0.035 0.000 1.073 99 L CA 2.249 57.075 54.840 -0.024 0.000 0.745 99 L CB -0.983 41.066 42.059 -0.018 0.000 0.894 99 L HN 0.255 nan 8.230 nan 0.000 0.432 100 A N -0.963 121.835 122.820 -0.036 0.000 1.908 100 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 100 A C 2.111 179.702 177.584 0.012 0.000 1.181 100 A CA 1.994 54.020 52.037 -0.017 0.000 0.627 100 A CB -1.034 17.893 19.000 -0.121 0.000 0.818 100 A HN 0.563 nan 8.150 nan 0.000 0.445 101 D N -0.380 119.984 120.400 -0.060 0.000 2.178 101 D HA -0.077 4.563 4.640 -0.000 0.000 0.202 101 D C 1.794 177.972 176.300 -0.202 0.000 0.974 101 D CA 0.842 54.757 54.000 -0.143 0.000 0.841 101 D CB -0.160 40.584 40.800 -0.093 0.000 0.953 101 D HN 0.449 nan 8.370 nan 0.000 0.478 102 L N -0.066 121.076 121.223 -0.135 0.000 2.141 102 L HA -0.108 4.231 4.340 -0.000 0.000 0.209 102 L C 2.298 179.055 176.870 -0.189 0.000 1.094 102 L CA 0.938 55.697 54.840 -0.136 0.000 0.763 102 L CB -0.309 41.705 42.059 -0.076 0.000 0.908 102 L HN 0.028 nan 8.230 nan 0.000 0.437 103 K N -0.034 120.251 120.400 -0.192 0.000 2.097 103 K HA -0.178 4.141 4.320 -0.000 0.000 0.205 103 K C 2.230 178.555 176.600 -0.458 0.000 1.050 103 K CA 0.986 57.134 56.287 -0.232 0.000 0.938 103 K CB -0.110 32.314 32.500 -0.127 0.000 0.718 103 K HN 0.186 nan 8.250 nan 0.000 0.442 104 R N 1.792 121.869 120.500 -0.705 0.000 2.075 104 R HA -0.091 4.249 4.340 -0.000 0.000 0.232 104 R C 1.795 177.502 176.300 -0.987 0.000 1.126 104 R CA 1.448 56.913 56.100 -1.059 0.000 0.963 104 R CB 0.118 29.640 30.300 -1.297 0.000 0.858 104 R HN 0.017 nan 8.270 nan 0.000 0.435 105 K N 0.337 120.326 120.400 -0.686 0.000 2.097 105 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 105 K C 2.044 178.470 176.600 -0.290 0.000 1.049 105 K CA 1.171 57.174 56.287 -0.473 0.000 0.933 105 K CB -0.219 32.183 32.500 -0.164 0.000 0.717 105 K HN 0.123 nan 8.250 nan 0.000 0.442 106 L N 0.977 122.050 121.223 -0.249 0.000 2.079 106 L HA -0.129 4.210 4.340 -0.000 0.000 0.210 106 L C 2.095 178.858 176.870 -0.178 0.000 1.081 106 L CA 1.886 56.633 54.840 -0.156 0.000 0.752 106 L CB -0.811 41.175 42.059 -0.122 0.000 0.896 106 L HN 0.202 nan 8.230 nan 0.000 0.433 107 G N -1.560 107.062 108.800 -0.296 0.000 2.421 107 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.216 107 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.216 107 G C 1.312 176.031 174.900 -0.301 0.000 1.171 107 G CA 0.997 45.931 45.100 -0.275 0.000 0.775 107 G HN 0.420 nan 8.290 nan 0.000 0.543 108 Y N 1.484 121.561 120.300 -0.371 0.000 2.114 108 Y HA -0.064 4.486 4.550 -0.000 0.000 0.282 108 Y C 3.174 178.699 175.900 -0.625 0.000 1.165 108 Y CA 0.298 58.029 58.100 -0.614 0.000 1.148 108 Y CB -1.244 37.069 38.460 -0.246 0.000 0.972 108 Y HN 0.275 nan 8.280 nan 0.000 0.504 109 A N 0.192 122.951 122.820 -0.102 0.000 1.883 109 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 109 A C 2.558 180.097 177.584 -0.075 0.000 1.186 109 A CA 2.362 54.383 52.037 -0.027 0.000 0.624 109 A CB -1.306 17.703 19.000 0.013 0.000 0.822 109 A HN 0.410 nan 8.150 nan 0.000 0.444 110 A N -0.279 122.481 122.820 -0.100 0.000 1.902 110 A HA 0.155 4.475 4.320 -0.000 0.000 0.217 110 A C 2.509 179.978 177.584 -0.192 0.000 1.181 110 A CA 2.154 54.148 52.037 -0.072 0.000 0.623 110 A CB -1.045 17.980 19.000 0.043 0.000 0.818 110 A HN 1.136 nan 8.150 nan 0.000 0.443 111 A N -1.242 121.337 122.820 -0.401 0.000 1.933 111 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 111 A C 1.822 179.223 177.584 -0.305 0.000 1.175 111 A CA 1.205 52.892 52.037 -0.582 0.000 0.628 111 A CB -0.833 17.429 19.000 -1.230 0.000 0.814 111 A HN 0.818 nan 8.150 nan 0.000 0.444 112 W N -1.375 119.890 121.300 -0.059 0.000 3.239 112 W HA 0.427 5.087 4.660 -0.000 0.000 0.348 112 W C 1.341 177.838 176.519 -0.038 0.000 1.183 112 W CA -0.026 57.269 57.345 -0.083 0.000 1.819 112 W CB 0.236 29.637 29.460 -0.099 0.000 1.091 112 W HN 0.521 nan 8.180 nan 0.000 0.629 113 G N 1.962 110.844 108.800 0.137 0.000 2.198 113 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.257 113 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.257 113 G C -0.362 174.591 174.900 0.089 0.000 1.042 113 G CA -0.364 44.792 45.100 0.093 0.000 0.791 113 G HN 0.290 nan 8.290 nan 0.000 0.502 114 I N 0.743 121.368 120.570 0.091 0.000 2.339 114 I HA 0.600 4.769 4.170 -0.000 0.000 0.290 114 I C 0.750 176.896 176.117 0.048 0.000 0.994 114 I CA -0.274 61.072 61.300 0.078 0.000 1.191 114 I CB 1.413 39.478 38.000 0.109 0.000 1.343 114 I HN 0.315 nan 8.210 nan 0.000 0.458 115 E N 4.988 125.207 120.200 0.032 0.000 2.324 115 E HA 0.601 4.951 4.350 -0.000 0.000 0.271 115 E C 0.070 176.666 176.600 -0.006 0.000 1.028 115 E CA -0.118 56.290 56.400 0.015 0.000 0.890 115 E CB 1.115 30.819 29.700 0.007 0.000 1.004 115 E HN 0.896 nan 8.360 nan 0.000 0.431 116 G N 1.297 110.095 108.800 -0.004 0.000 2.692 116 G HA2 0.682 4.642 3.960 -0.000 0.000 0.291 116 G HA3 0.682 4.642 3.960 -0.000 0.000 0.291 116 G C -0.764 174.136 174.900 0.000 0.000 1.423 116 G CA -0.764 44.328 45.100 -0.014 0.000 0.843 116 G HN 0.524 nan 8.290 nan 0.000 0.486 117 R N -0.297 120.215 120.500 0.020 0.000 2.725 117 R HA 0.455 4.795 4.340 -0.000 0.000 0.277 117 R C -0.810 175.525 176.300 0.059 0.000 0.987 117 R CA -0.884 55.240 56.100 0.041 0.000 0.901 117 R CB 2.480 32.819 30.300 0.065 0.000 1.207 117 R HN 0.366 nan 8.270 nan 0.000 0.463 118 L N 3.822 125.063 121.223 0.030 0.000 2.331 118 L HA 0.403 4.742 4.340 -0.000 0.000 0.278 118 L C -0.289 176.602 176.870 0.035 0.000 1.106 118 L CA -0.348 54.506 54.840 0.024 0.000 0.824 118 L CB 0.424 42.479 42.059 -0.006 0.000 1.142 118 L HN 0.310 nan 8.230 nan 0.000 0.443 119 L N 2.441 123.688 121.223 0.040 0.000 2.325 119 L HA 0.448 4.788 4.340 -0.000 0.000 0.278 119 L C 0.600 177.478 176.870 0.013 0.000 1.023 119 L CA -0.601 54.258 54.840 0.032 0.000 0.811 119 L CB 1.914 43.993 42.059 0.035 0.000 1.249 119 L HN 0.716 nan 8.230 nan 0.000 0.431 120 S N 1.651 117.355 115.700 0.008 0.000 2.596 120 S HA 0.217 4.687 4.470 -0.000 0.000 0.260 120 S C -1.932 172.667 174.600 -0.001 0.000 1.336 120 S CA -0.934 57.267 58.200 0.001 0.000 0.993 120 S CB 0.689 63.889 63.200 0.000 0.000 0.923 120 S HN 0.440 nan 8.310 nan 0.000 0.567 121 P HA -0.064 nan 4.420 nan 0.000 0.216 121 P C 1.568 178.864 177.300 -0.006 0.000 1.150 121 P CA 1.933 65.028 63.100 -0.009 0.000 0.837 121 P CB -0.287 31.407 31.700 -0.011 0.000 0.786 122 A N 0.050 122.868 122.820 -0.004 0.000 1.877 122 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 122 A C 2.139 179.723 177.584 0.000 0.000 1.186 122 A CA 1.714 53.750 52.037 -0.002 0.000 0.620 122 A CB -1.284 17.715 19.000 -0.002 0.000 0.822 122 A HN 0.179 nan 8.150 nan 0.000 0.443 123 E N -0.868 119.333 120.200 0.002 0.000 2.153 123 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 123 E C 1.999 178.598 176.600 -0.002 0.000 0.988 123 E CA 1.160 57.561 56.400 0.003 0.000 0.811 123 E CB -0.407 29.299 29.700 0.010 0.000 0.746 123 E HN 0.676 nan 8.360 nan 0.000 0.466 124 C N 0.876 120.175 119.300 -0.001 0.000 2.429 124 C HA -0.103 4.357 4.460 -0.000 0.000 0.277 124 C C 2.641 177.647 174.990 0.026 0.000 1.262 124 C CA 0.425 59.444 59.018 0.002 0.000 1.733 124 C CB -0.579 27.155 27.740 -0.009 0.000 2.010 124 C HN 0.458 nan 8.230 nan 0.000 0.483 125 Q N 0.464 120.274 119.800 0.016 0.000 2.079 125 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 125 Q C 2.518 178.531 176.000 0.021 0.000 0.974 125 Q CA 2.281 58.098 55.803 0.023 0.000 0.840 125 Q CB -0.398 28.343 28.738 0.006 0.000 0.898 125 Q HN 0.864 nan 8.270 nan 0.000 0.430 126 E N 0.941 121.146 120.200 0.008 0.000 2.077 126 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 126 E C 1.833 178.429 176.600 -0.007 0.000 0.989 126 E CA 1.442 57.842 56.400 -0.001 0.000 0.800 126 E CB -0.778 28.920 29.700 -0.002 0.000 0.746 126 E HN 0.240 nan 8.360 nan 0.000 0.452 127 L N -2.152 119.066 121.223 -0.007 0.000 2.156 127 L HA 0.166 4.506 4.340 -0.000 0.000 0.208 127 L C 0.836 177.719 176.870 0.021 0.000 1.095 127 L CA 1.444 56.267 54.840 -0.028 0.000 0.770 127 L CB 0.150 42.146 42.059 -0.105 0.000 0.914 127 L HN 0.474 nan 8.230 nan 0.000 0.439 128 Y N -0.646 119.623 120.300 -0.052 0.000 2.513 128 Y HA 0.316 4.866 4.550 -0.000 0.000 0.341 128 Y C -1.929 173.952 175.900 -0.032 0.000 1.075 128 Y CA -1.811 56.271 58.100 -0.030 0.000 1.190 128 Y CB 0.712 39.158 38.460 -0.024 0.000 1.111 128 Y HN 0.049 nan 8.280 nan 0.000 0.644 129 P HA -0.177 nan 4.420 nan 0.000 0.220 129 P C 1.368 178.699 177.300 0.053 0.000 1.144 129 P CA 1.470 64.589 63.100 0.032 0.000 0.800 129 P CB 0.297 31.987 31.700 -0.016 0.000 0.772 130 L N -1.916 119.367 121.223 0.099 0.000 2.376 130 L HA -0.040 4.300 4.340 -0.000 0.000 0.219 130 L C 1.130 178.027 176.870 0.045 0.000 1.133 130 L CA 0.069 54.953 54.840 0.073 0.000 0.816 130 L CB -0.747 41.361 42.059 0.082 0.000 0.933 130 L HN -0.023 nan 8.230 nan 0.000 0.449 131 L N 1.227 122.508 121.223 0.096 0.000 2.513 131 L HA -0.039 4.301 4.340 -0.000 0.000 0.272 131 L C 0.586 177.424 176.870 -0.054 0.000 1.187 131 L CA -0.070 54.744 54.840 -0.044 0.000 0.895 131 L CB 0.037 42.060 42.059 -0.060 0.000 1.147 131 L HN 0.036 nan 8.230 nan 0.000 0.483 132 D N 3.248 123.594 120.400 -0.091 0.000 2.363 132 D HA -0.003 4.637 4.640 -0.000 0.000 0.263 132 D C 1.144 177.405 176.300 -0.066 0.000 1.258 132 D CA 0.189 54.145 54.000 -0.073 0.000 0.907 132 D CB 1.670 42.419 40.800 -0.084 0.000 1.107 132 D HN 0.683 nan 8.370 nan 0.000 0.495 133 G N 2.817 111.590 108.800 -0.045 0.000 2.559 133 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 133 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 133 G C 1.396 176.275 174.900 -0.034 0.000 1.126 133 G CA 1.012 46.089 45.100 -0.038 0.000 0.778 133 G HN 0.654 nan 8.290 nan 0.000 0.543 134 E N 1.406 121.585 120.200 -0.035 0.000 2.118 134 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 134 E C 2.053 178.639 176.600 -0.022 0.000 0.992 134 E CA 1.490 57.874 56.400 -0.026 0.000 0.804 134 E CB -0.520 29.165 29.700 -0.026 0.000 0.741 134 E HN 0.456 nan 8.360 nan 0.000 0.458 135 N N -0.389 118.294 118.700 -0.028 0.000 2.236 135 N HA 0.114 4.854 4.740 -0.000 0.000 0.196 135 N C -0.224 175.276 175.510 -0.016 0.000 1.114 135 N CA -0.139 52.902 53.050 -0.015 0.000 0.859 135 N CB 0.615 39.100 38.487 -0.002 0.000 0.982 135 N HN 0.286 nan 8.380 nan 0.000 0.493 136 I N 1.915 122.465 120.570 -0.033 0.000 2.452 136 I HA 0.037 4.207 4.170 -0.000 0.000 0.287 136 I C 1.571 177.678 176.117 -0.017 0.000 1.079 136 I CA 0.150 61.430 61.300 -0.033 0.000 1.387 136 I CB 0.611 38.581 38.000 -0.049 0.000 1.404 136 I HN -0.044 nan 8.210 nan 0.000 0.522 137 L N 5.369 126.587 121.223 -0.009 0.000 2.463 137 L HA 0.362 4.701 4.340 -0.000 0.000 0.219 137 L C 0.972 177.837 176.870 -0.008 0.000 1.088 137 L CA 0.117 54.953 54.840 -0.006 0.000 0.849 137 L CB 0.189 42.247 42.059 -0.002 0.000 1.012 137 L HN 0.823 nan 8.230 nan 0.000 0.468 138 G N -1.063 107.732 108.800 -0.008 0.000 2.338 138 G HA2 0.461 4.421 3.960 -0.000 0.000 0.295 138 G HA3 0.461 4.421 3.960 -0.000 0.000 0.295 138 G C -1.593 173.304 174.900 -0.004 0.000 1.461 138 G CA -0.051 45.045 45.100 -0.006 0.000 0.817 138 G HN 0.033 nan 8.290 nan 0.000 0.556 139 G N -1.465 107.339 108.800 0.005 0.000 2.672 139 G HA2 0.744 4.704 3.960 -0.000 0.000 0.292 139 G HA3 0.744 4.704 3.960 -0.000 0.000 0.292 139 G C -1.864 173.059 174.900 0.039 0.000 1.375 139 G CA -0.684 44.427 45.100 0.018 0.000 0.890 139 G HN 1.454 nan 8.290 nan 0.000 0.476 140 L N 0.560 121.819 121.223 0.060 0.000 2.325 140 L HA 0.604 4.944 4.340 -0.000 0.000 0.281 140 L C -0.609 176.369 176.870 0.180 0.000 1.004 140 L CA -0.756 54.134 54.840 0.083 0.000 0.823 140 L CB 1.374 43.455 42.059 0.036 0.000 1.236 140 L HN 0.712 nan 8.230 nan 0.000 0.415 141 H N 4.799 123.905 119.070 0.060 0.000 2.511 141 H HA 0.614 5.170 4.556 -0.000 0.000 0.328 141 H C -1.586 173.791 175.328 0.082 0.000 1.044 141 H CA -0.901 55.197 56.048 0.083 0.000 1.212 141 H CB 1.729 31.534 29.762 0.071 0.000 1.428 141 H HN 0.507 nan 8.280 nan 0.000 0.483 142 V N 8.354 128.254 119.914 -0.023 0.000 2.304 142 V HA 0.157 4.276 4.120 -0.000 0.000 0.278 142 V C -1.832 174.136 176.094 -0.210 0.000 1.018 142 V CA -1.415 60.822 62.300 -0.105 0.000 0.814 142 V CB 1.276 33.136 31.823 0.063 0.000 1.021 142 V HN 0.799 nan 8.190 nan 0.000 0.440 143 P HA -0.104 nan 4.420 nan 0.000 0.222 143 P C 1.506 178.789 177.300 -0.028 0.000 1.147 143 P CA 1.257 64.225 63.100 -0.220 0.000 0.790 143 P CB 0.253 31.840 31.700 -0.188 0.000 0.780 144 S N -2.974 112.726 115.700 -0.001 0.000 2.558 144 S HA 0.038 4.508 4.470 -0.000 0.000 0.217 144 S C 0.796 175.482 174.600 0.143 0.000 0.975 144 S CA -0.170 58.071 58.200 0.068 0.000 0.912 144 S CB -0.711 62.514 63.200 0.040 0.000 0.776 144 S HN -0.005 nan 8.310 nan 0.000 0.526 145 D N 1.512 121.972 120.400 0.101 0.000 2.352 145 D HA 0.617 5.257 4.640 -0.000 0.000 0.238 145 D C 0.759 177.122 176.300 0.105 0.000 1.286 145 D CA 1.116 55.178 54.000 0.104 0.000 0.923 145 D CB 0.667 41.437 40.800 -0.051 0.000 1.146 145 D HN 0.480 nan 8.370 nan 0.000 0.471 146 G N -1.289 107.507 108.800 -0.007 0.000 2.360 146 G HA2 0.323 4.282 3.960 -0.000 0.000 0.276 146 G HA3 0.323 4.282 3.960 -0.000 0.000 0.276 146 G C -1.812 172.760 174.900 -0.548 0.000 1.256 146 G CA -0.829 44.032 45.100 -0.398 0.000 0.890 146 G HN 0.349 nan 8.290 nan 0.000 0.486 147 L N 1.167 121.885 121.223 -0.843 0.000 2.305 147 L HA 0.702 5.041 4.340 -0.000 0.000 0.284 147 L C 0.691 177.280 176.870 -0.469 0.000 1.013 147 L CA -0.849 53.706 54.840 -0.475 0.000 0.819 147 L CB 1.729 43.595 42.059 -0.321 0.000 1.227 147 L HN 0.840 nan 8.230 nan 0.000 0.417 148 A N 2.171 124.967 122.820 -0.039 0.000 2.354 148 A HA 0.499 4.819 4.320 -0.000 0.000 0.269 148 A C 0.254 177.859 177.584 0.036 0.000 1.109 148 A CA -0.282 51.845 52.037 0.151 0.000 0.800 148 A CB 0.470 19.599 19.000 0.215 0.000 1.045 148 A HN 0.649 nan 8.150 nan 0.000 0.489 149 S N 2.209 117.935 115.700 0.043 0.000 3.489 149 S HA 0.354 4.824 4.470 -0.000 0.000 0.227 149 S C 1.345 175.959 174.600 0.023 0.000 1.360 149 S CA 0.015 58.226 58.200 0.018 0.000 0.934 149 S CB 0.563 63.767 63.200 0.008 0.000 1.410 149 S HN 0.951 nan 8.310 nan 0.000 0.483 150 A N 2.939 125.772 122.820 0.021 0.000 1.873 150 A HA 0.037 4.357 4.320 -0.000 0.000 0.215 150 A C 2.271 179.852 177.584 -0.005 0.000 1.186 150 A CA 1.564 53.609 52.037 0.013 0.000 0.616 150 A CB -0.860 18.145 19.000 0.009 0.000 0.823 150 A HN 0.746 nan 8.150 nan 0.000 0.442 151 A N -0.403 122.409 122.820 -0.013 0.000 1.969 151 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 151 A C 2.221 179.790 177.584 -0.024 0.000 1.169 151 A CA 1.710 53.733 52.037 -0.025 0.000 0.635 151 A CB -0.441 18.542 19.000 -0.029 0.000 0.810 151 A HN 0.570 nan 8.150 nan 0.000 0.445 152 R N -0.322 120.169 120.500 -0.015 0.000 2.092 152 R HA -0.019 4.321 4.340 -0.000 0.000 0.231 152 R C 2.220 178.508 176.300 -0.019 0.000 1.119 152 R CA 1.373 57.463 56.100 -0.017 0.000 0.970 152 R CB -0.405 29.890 30.300 -0.008 0.000 0.864 152 R HN 0.394 nan 8.270 nan 0.000 0.440 153 A N 0.374 123.187 122.820 -0.010 0.000 1.902 153 A HA -0.107 4.212 4.320 -0.000 0.000 0.217 153 A C 2.247 179.817 177.584 -0.024 0.000 1.181 153 A CA 1.607 53.637 52.037 -0.012 0.000 0.623 153 A CB -0.649 18.350 19.000 -0.002 0.000 0.818 153 A HN 0.221 nan 8.150 nan 0.000 0.443 154 V N 0.263 120.160 119.914 -0.028 0.000 2.282 154 V HA -0.315 3.805 4.120 -0.000 0.000 0.249 154 V C 2.796 178.844 176.094 -0.076 0.000 1.057 154 V CA 2.228 64.502 62.300 -0.043 0.000 1.032 154 V CB -0.762 31.036 31.823 -0.042 0.000 0.645 154 V HN 0.582 nan 8.190 nan 0.000 0.447 155 Q N -0.407 119.349 119.800 -0.073 0.000 2.084 155 Q HA -0.130 4.209 4.340 -0.000 0.000 0.202 155 Q C 2.226 178.174 176.000 -0.087 0.000 0.978 155 Q CA 1.596 57.344 55.803 -0.092 0.000 0.844 155 Q CB -0.475 28.222 28.738 -0.069 0.000 0.898 155 Q HN 0.576 nan 8.270 nan 0.000 0.426 156 L N -0.145 121.043 121.223 -0.057 0.000 2.217 156 L HA -0.090 4.250 4.340 -0.000 0.000 0.211 156 L C 2.365 179.209 176.870 -0.044 0.000 1.107 156 L CA 0.468 55.282 54.840 -0.045 0.000 0.783 156 L CB -0.399 41.643 42.059 -0.028 0.000 0.919 156 L HN 0.142 nan 8.230 nan 0.000 0.442 157 L N -0.362 120.835 121.223 -0.044 0.000 2.072 157 L HA -0.163 4.177 4.340 -0.000 0.000 0.205 157 L C 2.481 179.330 176.870 -0.035 0.000 1.079 157 L CA 1.125 55.953 54.840 -0.020 0.000 0.752 157 L CB -0.248 41.811 42.059 -0.001 0.000 0.906 157 L HN 0.167 nan 8.230 nan 0.000 0.436 158 I N -0.051 120.432 120.570 -0.145 0.000 2.208 158 I HA -0.350 3.820 4.170 -0.000 0.000 0.245 158 I C 2.682 178.673 176.117 -0.209 0.000 1.097 158 I CA 1.391 62.462 61.300 -0.381 0.000 1.363 158 I CB -0.228 37.400 38.000 -0.621 0.000 1.051 158 I HN 0.243 nan 8.210 nan 0.000 0.413 159 K N 1.357 121.678 120.400 -0.133 0.000 1.991 159 K HA -0.245 4.074 4.320 -0.000 0.000 0.212 159 K C 2.351 178.938 176.600 -0.021 0.000 1.049 159 K CA 2.044 58.289 56.287 -0.069 0.000 0.932 159 K CB -0.144 32.324 32.500 -0.054 0.000 0.717 159 K HN 0.319 nan 8.250 nan 0.000 0.441 160 R N 0.035 120.530 120.500 -0.008 0.000 2.115 160 R HA -0.060 4.280 4.340 -0.000 0.000 0.226 160 R C 2.056 178.381 176.300 0.041 0.000 1.100 160 R CA 1.769 57.877 56.100 0.014 0.000 0.980 160 R CB -0.864 29.441 30.300 0.010 0.000 0.875 160 R HN 0.271 nan 8.270 nan 0.000 0.445 161 T N -1.323 113.274 114.554 0.072 0.000 2.857 161 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 161 T C 1.715 176.498 174.700 0.138 0.000 1.048 161 T CA 1.113 63.282 62.100 0.116 0.000 1.139 161 T CB -0.138 68.838 68.868 0.180 0.000 0.874 161 T HN 0.374 nan 8.240 nan 0.000 0.455 162 E N 1.205 121.503 120.200 0.162 0.000 2.058 162 E HA -0.117 4.232 4.350 -0.000 0.000 0.194 162 E C 2.519 179.163 176.600 0.074 0.000 0.997 162 E CA 1.428 57.914 56.400 0.144 0.000 0.801 162 E CB -0.226 29.530 29.700 0.093 0.000 0.746 162 E HN 0.509 nan 8.360 nan 0.000 0.450 163 S N 0.103 115.832 115.700 0.047 0.000 2.419 163 S HA -0.164 4.306 4.470 -0.000 0.000 0.235 163 S C 1.707 176.326 174.600 0.032 0.000 1.019 163 S CA 0.974 59.193 58.200 0.031 0.000 0.982 163 S CB -0.006 63.206 63.200 0.020 0.000 0.789 163 S HN 0.355 nan 8.310 nan 0.000 0.490 164 A N -0.182 122.663 122.820 0.041 0.000 2.275 164 A HA 0.565 4.885 4.320 -0.000 0.000 0.212 164 A C 1.512 179.115 177.584 0.031 0.000 1.201 164 A CA 0.645 52.703 52.037 0.035 0.000 0.843 164 A CB -0.342 18.681 19.000 0.039 0.000 0.873 164 A HN 0.756 nan 8.150 nan 0.000 0.492 165 G N -1.696 107.124 108.800 0.034 0.000 2.184 165 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.206 165 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.206 165 G C 0.160 175.068 174.900 0.015 0.000 0.995 165 G CA -0.061 45.052 45.100 0.021 0.000 0.651 165 G HN 0.643 nan 8.290 nan 0.000 0.511 166 V N 1.948 121.880 119.914 0.030 0.000 2.637 166 V HA 0.482 4.602 4.120 -0.000 0.000 0.296 166 V C 0.923 177.002 176.094 -0.025 0.000 1.046 166 V CA 0.705 62.989 62.300 -0.025 0.000 1.066 166 V CB 1.418 33.226 31.823 -0.026 0.000 0.968 166 V HN 0.298 nan 8.190 nan 0.000 0.483 167 T N 5.059 119.539 114.554 -0.123 0.000 2.795 167 T HA 0.534 4.884 4.350 -0.000 0.000 0.282 167 T C -0.860 173.698 174.700 -0.237 0.000 0.980 167 T CA -0.010 62.042 62.100 -0.080 0.000 1.012 167 T CB 0.435 69.265 68.868 -0.063 0.000 0.936 167 T HN 0.440 nan 8.240 nan 0.000 0.457 168 Y N 2.003 122.293 120.300 -0.017 0.000 2.364 168 Y HA 0.520 5.069 4.550 -0.000 0.000 0.340 168 Y C 0.715 176.601 175.900 -0.023 0.000 0.975 168 Y CA -0.976 57.111 58.100 -0.022 0.000 1.089 168 Y CB 1.468 39.914 38.460 -0.023 0.000 1.192 168 Y HN 0.379 nan 8.280 nan 0.000 0.454 169 R N 2.310 122.859 120.500 0.083 0.000 2.412 169 R HA 0.471 4.811 4.340 -0.000 0.000 0.304 169 R C 0.161 176.485 176.300 0.040 0.000 1.066 169 R CA -0.581 55.546 56.100 0.046 0.000 0.923 169 R CB 1.350 31.653 30.300 0.004 0.000 1.156 169 R HN 0.853 nan 8.270 nan 0.000 0.513 170 G N -0.084 108.742 108.800 0.043 0.000 2.543 170 G HA2 0.234 4.194 3.960 -0.000 0.000 0.290 170 G HA3 0.234 4.194 3.960 -0.000 0.000 0.290 170 G C 0.065 174.964 174.900 -0.001 0.000 1.310 170 G CA -0.532 44.577 45.100 0.016 0.000 1.025 170 G HN 0.532 nan 8.290 nan 0.000 0.502 171 S N -1.684 114.008 115.700 -0.013 0.000 3.477 171 S HA -0.181 4.288 4.470 -0.000 0.000 0.357 171 S C 0.314 174.905 174.600 -0.016 0.000 1.083 171 S CA 1.168 59.361 58.200 -0.010 0.000 1.042 171 S CB -1.794 61.408 63.200 0.004 0.000 0.911 171 S HN 0.918 nan 8.310 nan 0.000 0.490 172 T N 2.200 116.736 114.554 -0.030 0.000 2.833 172 T HA 0.431 4.781 4.350 -0.000 0.000 0.297 172 T C 0.026 174.694 174.700 -0.053 0.000 1.015 172 T CA -0.436 61.645 62.100 -0.031 0.000 0.963 172 T CB 1.607 70.460 68.868 -0.025 0.000 0.955 172 T HN 0.140 nan 8.240 nan 0.000 0.449 173 T N 3.251 117.777 114.554 -0.046 0.000 2.744 173 T HA 0.347 4.697 4.350 -0.000 0.000 0.291 173 T C 0.578 175.252 174.700 -0.043 0.000 0.957 173 T CA -0.482 61.581 62.100 -0.062 0.000 1.002 173 T CB 0.735 69.576 68.868 -0.046 0.000 0.919 173 T HN 0.336 nan 8.240 nan 0.000 0.468 174 V N 4.720 124.602 119.914 -0.053 0.000 2.521 174 V HA 0.166 4.286 4.120 -0.000 0.000 0.286 174 V C 1.610 177.700 176.094 -0.007 0.000 1.034 174 V CA 0.413 62.700 62.300 -0.022 0.000 1.045 174 V CB 0.828 32.644 31.823 -0.012 0.000 0.974 174 V HN 1.160 nan 8.190 nan 0.000 0.480 175 T N 0.531 115.089 114.554 0.007 0.000 3.003 175 T HA 0.514 4.864 4.350 -0.000 0.000 0.261 175 T C 0.517 175.228 174.700 0.019 0.000 1.003 175 T CA 0.370 62.479 62.100 0.014 0.000 0.917 175 T CB 0.625 69.500 68.868 0.012 0.000 1.084 175 T HN 1.067 nan 8.240 nan 0.000 0.522 176 G N 0.729 109.542 108.800 0.022 0.000 2.506 176 G HA2 0.537 4.497 3.960 -0.000 0.000 0.292 176 G HA3 0.537 4.497 3.960 -0.000 0.000 0.292 176 G C -2.264 172.654 174.900 0.031 0.000 1.425 176 G CA -0.821 44.290 45.100 0.019 0.000 0.788 176 G HN 0.160 nan 8.290 nan 0.000 0.490 177 I N 0.728 121.310 120.570 0.018 0.000 2.498 177 I HA 0.442 4.612 4.170 -0.000 0.000 0.290 177 I C -0.087 176.041 176.117 0.019 0.000 1.032 177 I CA -0.769 60.555 61.300 0.039 0.000 1.073 177 I CB 1.693 39.705 38.000 0.019 0.000 1.251 177 I HN 0.703 nan 8.210 nan 0.000 0.426 178 E N 6.123 126.344 120.200 0.035 0.000 2.242 178 E HA 0.540 4.890 4.350 -0.000 0.000 0.275 178 E C -1.081 175.535 176.600 0.027 0.000 1.002 178 E CA -0.367 56.046 56.400 0.022 0.000 0.841 178 E CB 1.571 31.285 29.700 0.023 0.000 1.109 178 E HN 0.680 nan 8.360 nan 0.000 0.394 179 Q N 1.080 120.889 119.800 0.014 0.000 2.482 179 Q HA 0.593 4.933 4.340 -0.000 0.000 0.286 179 Q C -1.527 174.479 176.000 0.010 0.000 1.007 179 Q CA -1.064 54.749 55.803 0.016 0.000 0.801 179 Q CB 2.057 30.798 28.738 0.004 0.000 1.455 179 Q HN 0.309 nan 8.270 nan 0.000 0.398 180 S N -0.654 115.054 115.700 0.015 0.000 2.543 180 S HA 0.607 5.077 4.470 -0.000 0.000 0.273 180 S C 0.067 174.675 174.600 0.014 0.000 1.152 180 S CA 0.398 58.604 58.200 0.010 0.000 0.910 180 S CB 1.343 64.548 63.200 0.008 0.000 1.105 180 S HN 1.665 nan 8.310 nan 0.000 0.465 181 G N 2.307 111.114 108.800 0.011 0.000 2.249 181 G HA2 0.044 4.003 3.960 -0.000 0.000 0.273 181 G HA3 0.044 4.003 3.960 -0.000 0.000 0.273 181 G C 1.357 176.273 174.900 0.026 0.000 1.036 181 G CA 0.983 46.092 45.100 0.015 0.000 0.824 181 G HN 2.278 nan 8.290 nan 0.000 0.504 182 G N -2.333 106.480 108.800 0.022 0.000 2.148 182 G HA2 0.140 4.100 3.960 -0.000 0.000 0.254 182 G HA3 0.140 4.100 3.960 -0.000 0.000 0.254 182 G C 0.347 175.274 174.900 0.046 0.000 0.981 182 G CA 1.635 46.752 45.100 0.029 0.000 0.670 182 G HN 2.509 nan 8.290 nan 0.000 0.528 183 R N -1.765 118.762 120.500 0.044 0.000 2.744 183 R HA 0.842 5.182 4.340 -0.000 0.000 0.279 183 R C -0.045 176.293 176.300 0.063 0.000 0.977 183 R CA -0.148 55.989 56.100 0.062 0.000 0.906 183 R CB 1.420 31.756 30.300 0.061 0.000 1.197 183 R HN 1.402 nan 8.270 nan 0.000 0.463 184 V N 2.245 122.217 119.914 0.097 0.000 2.655 184 V HA 0.319 4.439 4.120 -0.000 0.000 0.300 184 V C 1.139 177.282 176.094 0.083 0.000 1.044 184 V CA 1.424 63.793 62.300 0.113 0.000 1.095 184 V CB 1.437 33.383 31.823 0.206 0.000 0.952 184 V HN 1.261 nan 8.190 nan 0.000 0.485 185 T N 2.236 116.829 114.554 0.065 0.000 2.954 185 T HA 0.554 4.904 4.350 -0.000 0.000 0.252 185 T C 0.545 175.270 174.700 0.041 0.000 0.983 185 T CA 0.416 62.542 62.100 0.044 0.000 0.941 185 T CB 0.516 69.401 68.868 0.028 0.000 1.141 185 T HN 1.348 nan 8.240 nan 0.000 0.500 186 G N 0.197 109.029 108.800 0.054 0.000 2.430 186 G HA2 0.513 4.473 3.960 -0.000 0.000 0.300 186 G HA3 0.513 4.473 3.960 -0.000 0.000 0.300 186 G C -2.294 172.642 174.900 0.060 0.000 1.330 186 G CA -0.441 44.686 45.100 0.045 0.000 0.813 186 G HN 0.298 nan 8.290 nan 0.000 0.487 187 V N 0.697 120.638 119.914 0.044 0.000 2.577 187 V HA 0.447 4.567 4.120 -0.000 0.000 0.303 187 V C -0.339 175.771 176.094 0.027 0.000 1.042 187 V CA -0.641 61.688 62.300 0.049 0.000 0.872 187 V CB 1.468 33.315 31.823 0.041 0.000 0.998 187 V HN 0.746 nan 8.190 nan 0.000 0.423 188 Q N 2.575 122.391 119.800 0.027 0.000 2.261 188 Q HA 0.641 4.981 4.340 -0.000 0.000 0.252 188 Q C 0.134 176.140 176.000 0.009 0.000 0.915 188 Q CA -0.335 55.477 55.803 0.015 0.000 0.915 188 Q CB 1.818 30.565 28.738 0.014 0.000 1.204 188 Q HN 0.927 nan 8.270 nan 0.000 0.421 189 T N -2.341 112.215 114.554 0.004 0.000 2.887 189 T HA 0.610 4.960 4.350 -0.000 0.000 0.292 189 T C 0.752 175.452 174.700 0.001 0.000 1.087 189 T CA -0.315 61.785 62.100 -0.001 0.000 1.009 189 T CB 1.335 70.199 68.868 -0.006 0.000 1.203 189 T HN 0.490 nan 8.240 nan 0.000 0.518 190 A N 0.560 123.380 122.820 0.001 0.000 1.917 190 A HA -0.049 4.270 4.320 -0.000 0.000 0.219 190 A C 1.584 179.169 177.584 0.002 0.000 1.182 190 A CA 1.976 54.014 52.037 0.003 0.000 0.633 190 A CB -1.210 17.792 19.000 0.004 0.000 0.819 190 A HN 0.860 nan 8.150 nan 0.000 0.448 191 D N -1.063 119.337 120.400 0.000 0.000 2.352 191 D HA 0.405 5.045 4.640 -0.000 0.000 0.232 191 D C 0.950 177.249 176.300 -0.001 0.000 1.055 191 D CA 1.315 55.315 54.000 -0.000 0.000 0.891 191 D CB 0.170 40.970 40.800 -0.001 0.000 0.897 191 D HN 0.684 nan 8.370 nan 0.000 0.529 192 G N -1.515 107.285 108.800 -0.000 0.000 2.298 192 G HA2 -0.030 3.929 3.960 -0.000 0.000 0.309 192 G HA3 -0.030 3.929 3.960 -0.000 0.000 0.309 192 G C -1.393 173.507 174.900 0.001 0.000 1.279 192 G CA -0.724 44.376 45.100 0.000 0.000 1.042 192 G HN 0.001 nan 8.290 nan 0.000 0.480 193 V N 0.900 120.815 119.914 0.001 0.000 2.435 193 V HA 0.586 4.706 4.120 -0.000 0.000 0.290 193 V C 0.449 176.544 176.094 0.001 0.000 1.030 193 V CA -0.539 61.763 62.300 0.004 0.000 0.881 193 V CB 1.410 33.237 31.823 0.006 0.000 0.983 193 V HN 0.608 nan 8.190 nan 0.000 0.445 194 I N 7.314 127.886 120.570 0.002 0.000 2.304 194 I HA 0.336 4.506 4.170 -0.000 0.000 0.291 194 I C -2.250 173.868 176.117 0.001 0.000 1.018 194 I CA -1.945 59.353 61.300 -0.004 0.000 1.260 194 I CB 1.790 39.785 38.000 -0.010 0.000 1.390 194 I HN 0.421 nan 8.210 nan 0.000 0.475 195 P HA 0.278 nan 4.420 nan 0.000 0.271 195 P C -0.967 176.334 177.300 0.001 0.000 1.218 195 P CA -0.233 62.867 63.100 0.001 0.000 0.780 195 P CB 0.965 32.661 31.700 -0.008 0.000 0.901 196 A N 1.822 124.650 122.820 0.013 0.000 2.547 196 A HA 0.414 4.734 4.320 -0.000 0.000 0.297 196 A C 0.158 177.759 177.584 0.029 0.000 1.056 196 A CA -0.507 51.541 52.037 0.017 0.000 0.688 196 A CB 0.920 19.939 19.000 0.032 0.000 1.282 196 A HN 0.419 nan 8.150 nan 0.000 0.400 197 D N 0.609 121.022 120.400 0.022 0.000 2.271 197 D HA 0.169 4.809 4.640 -0.000 0.000 0.206 197 D C 0.128 176.482 176.300 0.090 0.000 0.967 197 D CA 1.395 55.419 54.000 0.040 0.000 0.867 197 D CB 0.491 41.296 40.800 0.009 0.000 0.960 197 D HN 0.528 nan 8.370 nan 0.000 0.509 198 I N 0.867 121.491 120.570 0.089 0.000 2.569 198 I HA 0.205 4.375 4.170 -0.000 0.000 0.290 198 I C -0.999 175.160 176.117 0.070 0.000 1.088 198 I CA -0.783 60.597 61.300 0.133 0.000 1.047 198 I CB 3.196 41.277 38.000 0.135 0.000 1.237 198 I HN -0.400 nan 8.210 nan 0.000 0.421 199 V N 6.557 126.505 119.914 0.057 0.000 2.540 199 V HA 0.472 4.592 4.120 -0.000 0.000 0.302 199 V C -0.397 175.536 176.094 -0.268 0.000 1.035 199 V CA -0.723 61.520 62.300 -0.096 0.000 0.873 199 V CB 2.192 33.977 31.823 -0.063 0.000 0.992 199 V HN 0.384 nan 8.190 nan 0.000 0.428 200 V N 3.193 122.963 119.914 -0.240 0.000 2.378 200 V HA 0.357 4.477 4.120 -0.000 0.000 0.288 200 V C 0.387 176.329 176.094 -0.253 0.000 1.016 200 V CA -0.369 61.784 62.300 -0.245 0.000 0.840 200 V CB 1.743 33.474 31.823 -0.154 0.000 0.994 200 V HN 0.863 nan 8.190 nan 0.000 0.431 201 S N 3.912 119.423 115.700 -0.316 0.000 2.405 201 S HA 0.144 4.613 4.470 -0.000 0.000 0.291 201 S C 0.278 174.855 174.600 -0.038 0.000 1.137 201 S CA -0.411 57.715 58.200 -0.122 0.000 1.061 201 S CB -0.336 62.873 63.200 0.015 0.000 1.001 201 S HN 0.861 nan 8.310 nan 0.000 0.507 202 C N 5.172 124.451 119.300 -0.034 0.000 2.508 202 C HA 0.522 4.982 4.460 -0.000 0.000 0.330 202 C C 1.536 176.529 174.990 0.004 0.000 1.435 202 C CA -0.707 58.305 59.018 -0.011 0.000 1.712 202 C CB -1.479 26.244 27.740 -0.028 0.000 2.741 202 C HN 0.930 nan 8.230 nan 0.000 0.562 203 A N 0.399 123.241 122.820 0.036 0.000 2.415 203 A HA 0.549 4.868 4.320 -0.000 0.000 0.248 203 A C 1.508 179.168 177.584 0.126 0.000 1.299 203 A CA 0.797 52.865 52.037 0.050 0.000 0.899 203 A CB -0.587 18.457 19.000 0.074 0.000 0.997 203 A HN 1.047 nan 8.150 nan 0.000 0.506 204 G N 0.676 109.528 108.800 0.087 0.000 2.634 204 G HA2 -0.415 3.544 3.960 -0.000 0.000 0.309 204 G HA3 -0.415 3.544 3.960 -0.000 0.000 0.309 204 G C 0.682 175.636 174.900 0.090 0.000 1.265 204 G CA 1.027 46.173 45.100 0.077 0.000 0.998 204 G HN 1.353 nan 8.290 nan 0.000 0.551 205 F N -1.552 118.465 119.950 0.112 0.000 2.699 205 F HA 0.341 4.868 4.527 -0.000 0.000 0.298 205 F C 1.921 177.665 175.800 -0.093 0.000 1.154 205 F CA 0.470 58.441 58.000 -0.049 0.000 1.457 205 F CB -0.340 38.562 39.000 -0.163 0.000 1.106 205 F HN 0.372 nan 8.300 nan 0.000 0.585 206 W N 1.723 122.937 121.300 -0.143 0.000 3.077 206 W HA 0.221 4.881 4.660 -0.000 0.000 0.245 206 W C 2.062 178.604 176.519 0.037 0.000 1.316 206 W CA 0.560 57.898 57.345 -0.012 0.000 1.537 206 W CB -0.715 28.672 29.460 -0.122 0.000 1.131 206 W HN 0.301 nan 8.180 nan 0.000 0.695 207 G N 1.148 110.087 108.800 0.231 0.000 2.469 207 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 207 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 207 G C 1.750 176.746 174.900 0.160 0.000 1.136 207 G CA 1.406 46.615 45.100 0.182 0.000 0.759 207 G HN 0.237 nan 8.290 nan 0.000 0.562 208 A N 0.441 123.343 122.820 0.137 0.000 1.968 208 A HA 0.110 4.430 4.320 -0.000 0.000 0.217 208 A C 2.179 179.825 177.584 0.104 0.000 1.169 208 A CA 1.927 54.024 52.037 0.099 0.000 0.638 208 A CB -0.322 18.721 19.000 0.071 0.000 0.812 208 A HN 0.415 nan 8.150 nan 0.000 0.446 209 K N -0.176 120.311 120.400 0.145 0.000 2.057 209 K HA -0.088 4.232 4.320 -0.000 0.000 0.206 209 K C 1.678 178.356 176.600 0.130 0.000 1.050 209 K CA 1.427 57.803 56.287 0.148 0.000 0.935 209 K CB -0.203 32.431 32.500 0.224 0.000 0.715 209 K HN 0.353 nan 8.250 nan 0.000 0.439 210 I N 1.232 121.896 120.570 0.158 0.000 2.252 210 I HA -0.133 4.036 4.170 -0.000 0.000 0.245 210 I C 2.505 178.685 176.117 0.105 0.000 1.102 210 I CA 1.549 62.939 61.300 0.149 0.000 1.385 210 I CB -1.606 36.516 38.000 0.203 0.000 1.064 210 I HN 0.393 nan 8.210 nan 0.000 0.414 211 G N 0.971 109.833 108.800 0.104 0.000 2.440 211 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 211 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 211 G C 1.832 176.712 174.900 -0.033 0.000 1.154 211 G CA 0.978 46.096 45.100 0.030 0.000 0.767 211 G HN 0.487 nan 8.290 nan 0.000 0.552 212 A N 0.554 123.375 122.820 0.002 0.000 2.076 212 A HA 0.026 4.345 4.320 -0.000 0.000 0.220 212 A C 2.394 179.957 177.584 -0.035 0.000 1.160 212 A CA 1.647 53.677 52.037 -0.013 0.000 0.653 212 A CB -0.371 18.636 19.000 0.012 0.000 0.801 212 A HN 0.428 nan 8.150 nan 0.000 0.455 213 M N -0.622 118.955 119.600 -0.039 0.000 2.358 213 M HA -0.052 4.427 4.480 -0.000 0.000 0.264 213 M C 1.495 177.729 176.300 -0.111 0.000 1.064 213 M CA 1.461 56.729 55.300 -0.053 0.000 1.093 213 M CB -0.353 32.230 32.600 -0.027 0.000 1.401 213 M HN 0.702 nan 8.290 nan 0.000 0.440 214 I N -4.274 116.184 120.570 -0.186 0.000 3.947 214 I HA 0.505 4.674 4.170 -0.000 0.000 0.327 214 I C 0.736 176.760 176.117 -0.155 0.000 1.519 214 I CA -0.150 61.020 61.300 -0.218 0.000 1.122 214 I CB 0.042 37.792 38.000 -0.416 0.000 1.146 214 I HN 0.286 nan 8.210 nan 0.000 0.442 215 G N 2.403 111.140 108.800 -0.105 0.000 2.198 215 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.260 215 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.260 215 G C -0.029 174.830 174.900 -0.068 0.000 1.025 215 G CA 0.662 45.719 45.100 -0.071 0.000 0.769 215 G HN 0.628 nan 8.290 nan 0.000 0.507 216 M N 0.723 120.275 119.600 -0.080 0.000 2.300 216 M HA 0.721 5.201 4.480 -0.000 0.000 0.348 216 M C 0.404 176.694 176.300 -0.017 0.000 1.151 216 M CA -0.449 54.821 55.300 -0.050 0.000 1.046 216 M CB 1.358 33.918 32.600 -0.067 0.000 1.647 216 M HN 0.647 nan 8.290 nan 0.000 0.451 217 A N 4.904 127.720 122.820 -0.007 0.000 2.309 217 A HA 0.572 4.892 4.320 -0.000 0.000 0.290 217 A C -0.900 176.687 177.584 0.006 0.000 1.206 217 A CA -0.542 51.491 52.037 -0.007 0.000 0.850 217 A CB 0.258 19.244 19.000 -0.024 0.000 1.118 217 A HN 0.673 nan 8.150 nan 0.000 0.523 218 V N 6.162 126.083 119.914 0.012 0.000 2.350 218 V HA 0.338 4.458 4.120 -0.000 0.000 0.285 218 V C -2.094 173.989 176.094 -0.018 0.000 1.014 218 V CA -1.155 61.163 62.300 0.029 0.000 0.831 218 V CB 1.764 33.633 31.823 0.077 0.000 1.000 218 V HN 0.840 nan 8.190 nan 0.000 0.433 219 P HA 0.296 nan 4.420 nan 0.000 0.219 219 P C -0.950 176.292 177.300 -0.096 0.000 1.832 219 P CA -0.224 62.767 63.100 -0.181 0.000 1.014 219 P CB 0.046 31.429 31.700 -0.529 0.000 1.939 220 L N 0.011 121.224 121.223 -0.017 0.000 2.341 220 L HA 0.822 5.161 4.340 -0.000 0.000 0.267 220 L C -0.916 175.968 176.870 0.023 0.000 1.009 220 L CA -1.337 53.516 54.840 0.020 0.000 0.819 220 L CB 1.409 43.498 42.059 0.051 0.000 1.323 220 L HN -0.127 nan 8.230 nan 0.000 0.425 221 L N 2.545 123.787 121.223 0.032 0.000 2.356 221 L HA 0.791 5.131 4.340 -0.000 0.000 0.277 221 L C -2.609 174.254 176.870 -0.011 0.000 0.996 221 L CA -1.827 53.013 54.840 -0.000 0.000 0.822 221 L CB 1.878 43.922 42.059 -0.025 0.000 1.256 221 L HN 0.469 nan 8.230 nan 0.000 0.413 222 P HA 0.321 nan 4.420 nan 0.000 0.276 222 P C -1.218 175.964 177.300 -0.197 0.000 1.243 222 P CA 0.159 63.181 63.100 -0.130 0.000 0.768 222 P CB 0.615 32.183 31.700 -0.220 0.000 0.856 223 L N 2.063 123.156 121.223 -0.217 0.000 2.388 223 L HA 0.742 5.082 4.340 -0.000 0.000 0.264 223 L C -0.002 176.770 176.870 -0.163 0.000 0.998 223 L CA -1.136 53.530 54.840 -0.289 0.000 0.817 223 L CB 2.295 44.053 42.059 -0.503 0.000 1.338 223 L HN 0.279 nan 8.230 nan 0.000 0.414 224 A N 0.834 123.574 122.820 -0.133 0.000 2.303 224 A HA 0.669 4.989 4.320 -0.000 0.000 0.317 224 A C -1.288 176.458 177.584 0.270 0.000 1.149 224 A CA -0.153 51.914 52.037 0.049 0.000 0.822 224 A CB 0.688 19.666 19.000 -0.037 0.000 1.131 224 A HN 0.783 nan 8.150 nan 0.000 0.493 225 H N 0.870 120.143 119.070 0.337 0.000 2.877 225 H HA 0.402 4.958 4.556 -0.000 0.000 0.347 225 H C -0.904 174.596 175.328 0.287 0.000 1.042 225 H CA -0.435 55.972 56.048 0.599 0.000 1.276 225 H CB 0.960 31.253 29.762 0.886 0.000 1.681 225 H HN 0.668 nan 8.280 nan 0.000 0.521 226 Q N 3.608 123.496 119.800 0.146 0.000 2.288 226 Q HA 0.194 4.534 4.340 -0.000 0.000 0.254 226 Q C -1.182 174.516 176.000 -0.503 0.000 0.932 226 Q CA -0.339 55.349 55.803 -0.192 0.000 0.902 226 Q CB 1.600 30.383 28.738 0.074 0.000 1.203 226 Q HN 0.588 nan 8.270 nan 0.000 0.415 227 Y N 1.645 121.412 120.300 -0.887 0.000 2.373 227 Y HA 0.440 4.990 4.550 -0.000 0.000 0.336 227 Y C -1.396 173.993 175.900 -0.852 0.000 0.979 227 Y CA -0.742 56.845 58.100 -0.855 0.000 1.080 227 Y CB 1.317 39.220 38.460 -0.928 0.000 1.190 227 Y HN 0.382 nan 8.280 nan 0.000 0.446 228 V N 6.295 125.521 119.914 -1.148 0.000 2.656 228 V HA 0.489 4.609 4.120 -0.000 0.000 0.307 228 V C -0.904 174.775 176.094 -0.691 0.000 1.051 228 V CA -1.176 60.540 62.300 -0.973 0.000 0.893 228 V CB 2.144 33.252 31.823 -1.192 0.000 0.999 228 V HN 0.637 nan 8.190 nan 0.000 0.426 229 K N 2.198 122.338 120.400 -0.433 0.000 2.221 229 K HA 0.599 4.918 4.320 -0.000 0.000 0.258 229 K C 0.083 176.594 176.600 -0.148 0.000 0.944 229 K CA -0.512 55.647 56.287 -0.213 0.000 0.823 229 K CB 2.144 34.551 32.500 -0.155 0.000 1.113 229 K HN 0.906 nan 8.250 nan 0.000 0.431 230 T N -1.239 113.319 114.554 0.007 0.000 2.788 230 T HA 0.155 4.504 4.350 -0.000 0.000 0.280 230 T C 0.848 175.575 174.700 0.045 0.000 0.984 230 T CA -0.733 61.395 62.100 0.047 0.000 0.972 230 T CB 0.772 69.782 68.868 0.238 0.000 1.039 230 T HN 0.633 nan 8.240 nan 0.000 0.530 231 T N -1.004 113.582 114.554 0.053 0.000 2.726 231 T HA 0.382 4.732 4.350 -0.000 0.000 0.294 231 T C -2.640 172.122 174.700 0.102 0.000 1.013 231 T CA -1.470 60.666 62.100 0.059 0.000 0.996 231 T CB -0.661 68.237 68.868 0.051 0.000 1.016 231 T HN 0.460 nan 8.240 nan 0.000 0.529 232 P HA 0.218 nan 4.420 nan 0.000 0.265 232 P C -0.839 176.529 177.300 0.112 0.000 1.193 232 P CA -0.256 62.903 63.100 0.098 0.000 0.765 232 P CB 0.312 32.054 31.700 0.070 0.000 0.823 233 V N 7.561 127.557 119.914 0.137 0.000 2.383 233 V HA 0.137 4.257 4.120 -0.000 0.000 0.275 233 V C -1.332 174.816 176.094 0.091 0.000 1.036 233 V CA -1.365 61.012 62.300 0.130 0.000 0.889 233 V CB 1.253 33.183 31.823 0.177 0.000 0.985 233 V HN 0.519 nan 8.190 nan 0.000 0.459 234 P HA -0.176 nan 4.420 nan 0.000 0.216 234 P C 1.569 178.893 177.300 0.041 0.000 1.153 234 P CA 1.746 64.875 63.100 0.047 0.000 0.858 234 P CB 0.243 31.965 31.700 0.036 0.000 0.789 235 A N -0.558 122.284 122.820 0.036 0.000 2.076 235 A HA -0.211 4.108 4.320 -0.000 0.000 0.220 235 A C 2.024 179.633 177.584 0.041 0.000 1.160 235 A CA 1.431 53.484 52.037 0.028 0.000 0.653 235 A CB -0.895 18.113 19.000 0.013 0.000 0.801 235 A HN 0.172 nan 8.150 nan 0.000 0.455 236 Q N -0.595 119.246 119.800 0.068 0.000 2.360 236 Q HA 0.043 4.383 4.340 -0.000 0.000 0.202 236 Q C 0.517 176.549 176.000 0.052 0.000 0.915 236 Q CA -0.025 55.824 55.803 0.076 0.000 0.943 236 Q CB -0.001 28.818 28.738 0.135 0.000 1.064 236 Q HN 0.851 nan 8.270 nan 0.000 0.511 237 Q N 0.106 119.933 119.800 0.045 0.000 2.262 237 Q HA 0.114 4.454 4.340 -0.000 0.000 0.298 237 Q C 0.598 176.613 176.000 0.024 0.000 1.083 237 Q CA 1.152 56.976 55.803 0.035 0.000 0.962 237 Q CB 0.028 28.784 28.738 0.030 0.000 1.104 237 Q HN 0.519 nan 8.270 nan 0.000 0.376 238 G N 3.878 112.691 108.800 0.021 0.000 2.176 238 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.253 238 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.253 238 G C 0.765 175.669 174.900 0.007 0.000 0.979 238 G CA 0.445 45.553 45.100 0.013 0.000 0.641 238 G HN 0.722 nan 8.290 nan 0.000 0.530 239 R N -0.288 120.216 120.500 0.008 0.000 2.112 239 R HA 0.122 4.462 4.340 -0.000 0.000 0.216 239 R C 0.454 176.747 176.300 -0.011 0.000 1.080 239 R CA 0.824 56.922 56.100 -0.003 0.000 0.996 239 R CB -0.029 30.268 30.300 -0.005 0.000 0.902 239 R HN 0.381 nan 8.270 nan 0.000 0.449 240 N N 0.837 119.533 118.700 -0.007 0.000 2.362 240 N HA 0.136 4.875 4.740 -0.000 0.000 0.299 240 N C -1.127 174.380 175.510 -0.005 0.000 1.170 240 N CA -0.519 52.522 53.050 -0.015 0.000 0.825 240 N CB 1.101 39.573 38.487 -0.025 0.000 1.299 240 N HN -0.108 nan 8.380 nan 0.000 0.502 241 D N 1.174 121.568 120.400 -0.009 0.000 2.414 241 D HA 0.050 4.690 4.640 -0.000 0.000 0.242 241 D C 0.282 176.586 176.300 0.007 0.000 1.129 241 D CA 0.304 54.302 54.000 -0.002 0.000 0.885 241 D CB 0.755 41.550 40.800 -0.007 0.000 1.198 241 D HN 0.123 nan 8.370 nan 0.000 0.437 242 Q N 1.737 121.546 119.800 0.014 0.000 2.230 242 Q HA 0.295 4.635 4.340 -0.000 0.000 0.248 242 Q C -1.440 174.575 176.000 0.025 0.000 0.915 242 Q CA -1.348 54.470 55.803 0.025 0.000 0.900 242 Q CB 0.918 29.671 28.738 0.025 0.000 1.229 242 Q HN 0.288 nan 8.270 nan 0.000 0.439 243 P HA 0.225 nan 4.420 nan 0.000 0.264 243 P C 0.089 177.437 177.300 0.079 0.000 1.259 243 P CA 0.219 63.351 63.100 0.052 0.000 0.841 243 P CB 0.847 32.578 31.700 0.051 0.000 1.232 244 N N -0.039 118.701 118.700 0.067 0.000 2.299 244 N HA 0.148 4.888 4.740 -0.000 0.000 0.246 244 N C 0.573 176.089 175.510 0.010 0.000 1.254 244 N CA 0.032 53.135 53.050 0.089 0.000 0.879 244 N CB 1.035 39.588 38.487 0.110 0.000 1.214 244 N HN 0.047 nan 8.380 nan 0.000 0.510 245 G N 0.345 109.141 108.800 -0.006 0.000 2.594 245 G HA2 0.509 4.468 3.960 -0.000 0.000 0.243 245 G HA3 0.509 4.468 3.960 -0.000 0.000 0.243 245 G C -0.522 174.330 174.900 -0.080 0.000 1.229 245 G CA -0.054 45.022 45.100 -0.040 0.000 0.843 245 G HN 0.192 nan 8.290 nan 0.000 0.578 246 A N 1.373 124.135 122.820 -0.098 0.000 2.517 246 A HA 0.723 5.043 4.320 -0.000 0.000 0.297 246 A C 0.326 177.848 177.584 -0.103 0.000 1.050 246 A CA -0.715 51.247 52.037 -0.124 0.000 0.694 246 A CB 1.528 20.430 19.000 -0.163 0.000 1.277 246 A HN 0.671 nan 8.150 nan 0.000 0.400 247 R N 0.977 121.417 120.500 -0.099 0.000 2.492 247 R HA 0.296 4.636 4.340 -0.000 0.000 0.219 247 R C -0.087 176.161 176.300 -0.086 0.000 0.886 247 R CA -0.029 56.022 56.100 -0.083 0.000 1.003 247 R CB 0.307 30.565 30.300 -0.071 0.000 1.345 247 R HN 0.634 nan 8.270 nan 0.000 0.631 248 L N 3.164 124.318 121.223 -0.116 0.000 2.418 248 L HA 0.296 4.636 4.340 -0.000 0.000 0.265 248 L C -2.103 174.770 176.870 0.006 0.000 1.143 248 L CA -2.129 52.628 54.840 -0.137 0.000 0.809 248 L CB 0.372 42.218 42.059 -0.355 0.000 1.124 248 L HN -0.203 nan 8.230 nan 0.000 0.456 249 P HA 0.015 nan 4.420 nan 0.000 0.267 249 P C -0.374 177.072 177.300 0.243 0.000 1.200 249 P CA -0.136 63.065 63.100 0.169 0.000 0.772 249 P CB 0.175 32.017 31.700 0.237 0.000 0.855 250 I N -0.274 120.365 120.570 0.114 0.000 2.813 250 I HA 0.208 4.378 4.170 -0.000 0.000 0.287 250 I C -0.213 176.107 176.117 0.338 0.000 1.196 250 I CA -0.190 61.202 61.300 0.154 0.000 1.421 250 I CB -0.040 37.895 38.000 -0.109 0.000 1.365 250 I HN 0.082 nan 8.210 nan 0.000 0.591 251 L N 5.961 127.470 121.223 0.476 0.000 2.356 251 L HA 0.549 4.889 4.340 -0.000 0.000 0.277 251 L C -0.573 176.634 176.870 0.561 0.000 0.996 251 L CA -0.368 54.733 54.840 0.435 0.000 0.822 251 L CB 1.504 43.715 42.059 0.254 0.000 1.256 251 L HN 0.661 nan 8.230 nan 0.000 0.413 252 R N 2.409 123.150 120.500 0.401 0.000 2.393 252 R HA 0.397 4.737 4.340 -0.000 0.000 0.310 252 R C -1.121 175.329 176.300 0.250 0.000 0.968 252 R CA -0.764 55.479 56.100 0.238 0.000 0.867 252 R CB 0.936 31.084 30.300 -0.253 0.000 1.124 252 R HN 0.637 nan 8.270 nan 0.000 0.450 253 H N 2.691 121.882 119.070 0.202 0.000 2.340 253 H HA 0.156 4.712 4.556 -0.000 0.000 0.233 253 H C 0.172 175.598 175.328 0.163 0.000 1.435 253 H CA -0.232 55.922 56.048 0.177 0.000 1.389 253 H CB 0.417 30.360 29.762 0.301 0.000 1.491 253 H HN 0.626 nan 8.280 nan 0.000 0.518 254 Q N 0.680 120.547 119.800 0.113 0.000 2.224 254 Q HA -0.114 4.226 4.340 -0.000 0.000 0.203 254 Q C 0.757 176.790 176.000 0.056 0.000 0.970 254 Q CA 1.177 57.015 55.803 0.059 0.000 0.865 254 Q CB 0.408 29.025 28.738 -0.201 0.000 0.922 254 Q HN 0.568 nan 8.270 nan 0.000 0.445 255 D N 0.513 120.905 120.400 -0.013 0.000 2.221 255 D HA -0.129 4.511 4.640 -0.000 0.000 0.204 255 D C 1.194 177.398 176.300 -0.160 0.000 0.982 255 D CA 1.097 55.065 54.000 -0.054 0.000 0.857 255 D CB 0.135 40.942 40.800 0.012 0.000 0.934 255 D HN 0.178 nan 8.370 nan 0.000 0.475 256 Q N 0.253 119.820 119.800 -0.388 0.000 2.155 256 Q HA 0.057 4.396 4.340 -0.000 0.000 0.220 256 Q C -0.521 175.418 176.000 -0.102 0.000 0.819 256 Q CA -0.132 55.494 55.803 -0.295 0.000 1.032 256 Q CB 0.901 29.340 28.738 -0.497 0.000 1.151 256 Q HN 0.072 nan 8.270 nan 0.000 0.487 257 D N 0.655 121.079 120.400 0.041 0.000 2.723 257 D HA -0.190 4.450 4.640 -0.000 0.000 0.236 257 D C -0.731 175.665 176.300 0.160 0.000 1.138 257 D CA 0.794 54.889 54.000 0.158 0.000 0.676 257 D CB -1.131 39.691 40.800 0.038 0.000 1.069 257 D HN 0.280 nan 8.370 nan 0.000 0.430 258 L N -0.139 121.212 121.223 0.213 0.000 2.354 258 L HA 0.663 5.002 4.340 -0.000 0.000 0.264 258 L C -0.069 176.900 176.870 0.166 0.000 1.008 258 L CA -1.216 53.643 54.840 0.032 0.000 0.819 258 L CB 1.802 43.829 42.059 -0.052 0.000 1.339 258 L HN 0.055 nan 8.230 nan 0.000 0.420 259 Y N -0.421 119.808 120.300 -0.119 0.000 2.644 259 Y HA 0.787 5.337 4.550 -0.000 0.000 0.338 259 Y C -1.684 174.038 175.900 -0.297 0.000 1.119 259 Y CA -1.492 56.597 58.100 -0.019 0.000 1.060 259 Y CB 1.278 39.959 38.460 0.369 0.000 1.294 259 Y HN 0.327 nan 8.280 nan 0.000 0.472 260 Y N 0.221 120.884 120.300 0.604 0.000 2.562 260 Y HA 0.783 5.332 4.550 -0.000 0.000 0.345 260 Y C -0.524 175.645 175.900 0.449 0.000 1.045 260 Y CA -1.336 57.057 58.100 0.489 0.000 1.028 260 Y CB 2.569 41.327 38.460 0.496 0.000 1.297 260 Y HN 0.802 nan 8.280 nan 0.000 0.463 261 R N -0.712 120.064 120.500 0.460 0.000 2.752 261 R HA 0.637 4.977 4.340 -0.000 0.000 0.271 261 R C -1.715 174.450 176.300 -0.225 0.000 1.026 261 R CA -1.235 54.950 56.100 0.141 0.000 0.901 261 R CB 1.782 32.126 30.300 0.073 0.000 1.243 261 R HN 0.577 nan 8.270 nan 0.000 0.463 262 E N 0.888 120.857 120.200 -0.385 0.000 2.313 262 E HA 0.237 4.587 4.350 -0.000 0.000 0.272 262 E C -0.786 175.564 176.600 -0.417 0.000 1.038 262 E CA -0.646 55.456 56.400 -0.498 0.000 0.863 262 E CB 0.954 30.436 29.700 -0.362 0.000 1.060 262 E HN 0.388 nan 8.360 nan 0.000 0.402 263 H N 2.014 121.025 119.070 -0.098 0.000 2.716 263 H HA 0.220 4.776 4.556 -0.000 0.000 0.260 263 H C 0.676 175.998 175.328 -0.010 0.000 1.280 263 H CA 0.236 56.277 56.048 -0.011 0.000 1.506 263 H CB 0.914 30.705 29.762 0.050 0.000 1.514 263 H HN 0.882 nan 8.280 nan 0.000 0.502 264 G N 3.633 112.462 108.800 0.048 0.000 2.591 264 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.298 264 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.298 264 G C 0.761 175.682 174.900 0.036 0.000 1.195 264 G CA 0.749 45.872 45.100 0.039 0.000 0.989 264 G HN 0.608 nan 8.290 nan 0.000 0.551 265 D N 1.275 121.714 120.400 0.065 0.000 2.342 265 D HA 0.228 4.868 4.640 -0.000 0.000 0.221 265 D C 1.121 177.506 176.300 0.143 0.000 1.101 265 D CA 0.195 54.248 54.000 0.088 0.000 0.837 265 D CB 0.006 40.851 40.800 0.075 0.000 0.938 265 D HN 0.676 nan 8.370 nan 0.000 0.508 266 R N -0.778 119.811 120.500 0.149 0.000 2.674 266 R HA 0.502 4.842 4.340 -0.000 0.000 0.266 266 R C -0.937 175.512 176.300 0.250 0.000 1.016 266 R CA -0.783 55.443 56.100 0.211 0.000 1.062 266 R CB 1.033 31.430 30.300 0.161 0.000 1.142 266 R HN -0.020 nan 8.270 nan 0.000 0.517 267 Y N -0.811 119.612 120.300 0.206 0.000 2.387 267 Y HA 0.437 4.987 4.550 -0.000 0.000 0.336 267 Y C 0.672 176.745 175.900 0.289 0.000 1.067 267 Y CA -0.274 57.986 58.100 0.266 0.000 1.114 267 Y CB 2.229 40.841 38.460 0.254 0.000 1.208 267 Y HN 0.689 nan 8.280 nan 0.000 0.458 268 G N 3.905 112.979 108.800 0.457 0.000 2.343 268 G HA2 0.617 4.577 3.960 -0.000 0.000 0.319 268 G HA3 0.617 4.577 3.960 -0.000 0.000 0.319 268 G C -1.250 173.714 174.900 0.107 0.000 1.126 268 G CA -0.540 44.729 45.100 0.282 0.000 0.889 268 G HN 0.560 nan 8.290 nan 0.000 0.457 269 I N 1.931 122.265 120.570 -0.393 0.000 2.439 269 I HA 0.431 4.601 4.170 -0.000 0.000 0.285 269 I C 0.574 176.319 176.117 -0.619 0.000 1.021 269 I CA -0.722 60.434 61.300 -0.241 0.000 1.091 269 I CB 2.365 40.477 38.000 0.186 0.000 1.242 269 I HN 0.532 nan 8.210 nan 0.000 0.439 270 G N 3.141 111.453 108.800 -0.813 0.000 2.343 270 G HA2 0.506 4.466 3.960 -0.000 0.000 0.319 270 G HA3 0.506 4.466 3.960 -0.000 0.000 0.319 270 G C -0.891 173.599 174.900 -0.683 0.000 1.126 270 G CA -0.337 44.156 45.100 -1.012 0.000 0.889 270 G HN 0.469 nan 8.290 nan 0.000 0.457 271 S N 1.551 117.114 115.700 -0.228 0.000 2.519 271 S HA 0.445 4.915 4.470 -0.000 0.000 0.309 271 S C -0.328 174.280 174.600 0.013 0.000 1.100 271 S CA -0.739 57.448 58.200 -0.022 0.000 1.059 271 S CB 0.737 64.084 63.200 0.245 0.000 1.008 271 S HN 0.529 nan 8.310 nan 0.000 0.478 272 Y N 2.653 122.957 120.300 0.006 0.000 2.524 272 Y HA 0.382 4.932 4.550 -0.000 0.000 0.266 272 Y C 1.585 177.268 175.900 -0.361 0.000 1.180 272 Y CA -0.210 57.656 58.100 -0.389 0.000 1.244 272 Y CB 0.390 38.414 38.460 -0.726 0.000 1.125 272 Y HN 0.790 nan 8.280 nan 0.000 0.524 273 A N 0.648 123.456 122.820 -0.020 0.000 3.105 273 A HA 0.297 4.617 4.320 -0.000 0.000 0.272 273 A C -0.428 177.232 177.584 0.127 0.000 1.466 273 A CA -0.114 51.938 52.037 0.024 0.000 1.101 273 A CB -1.552 17.459 19.000 0.019 0.000 1.065 273 A HN 0.586 nan 8.150 nan 0.000 0.643 274 H N -2.571 116.633 119.070 0.223 0.000 2.977 274 H HA 0.675 5.231 4.556 -0.000 0.000 0.350 274 H C -0.135 175.332 175.328 0.231 0.000 1.238 274 H CA -1.218 54.946 56.048 0.193 0.000 1.124 274 H CB 0.360 30.232 29.762 0.184 0.000 1.866 274 H HN 0.283 nan 8.280 nan 0.000 0.550 275 R N 0.117 120.807 120.500 0.316 0.000 2.698 275 R HA 0.254 4.594 4.340 -0.000 0.000 0.266 275 R C -2.472 173.915 176.300 0.145 0.000 1.026 275 R CA -1.478 54.727 56.100 0.176 0.000 1.102 275 R CB -0.606 29.744 30.300 0.083 0.000 0.978 275 R HN 0.361 nan 8.270 nan 0.000 0.436 276 P HA -0.044 nan 4.420 nan 0.000 0.266 276 P C -0.688 176.444 177.300 -0.279 0.000 1.195 276 P CA 0.505 63.366 63.100 -0.398 0.000 0.768 276 P CB 0.489 32.023 31.700 -0.277 0.000 0.838 277 M N 4.226 123.599 119.600 -0.378 0.000 2.066 277 M HA 0.298 4.778 4.480 -0.000 0.000 0.264 277 M C -2.557 173.601 176.300 -0.238 0.000 0.886 277 M CA -1.935 53.229 55.300 -0.227 0.000 0.810 277 M CB 1.709 34.207 32.600 -0.169 0.000 1.451 277 M HN 0.068 nan 8.290 nan 0.000 0.373 278 P HA 0.142 nan 4.420 nan 0.000 0.269 278 P C -0.801 176.407 177.300 -0.154 0.000 1.209 278 P CA -0.219 62.772 63.100 -0.181 0.000 0.776 278 P CB 0.828 32.444 31.700 -0.139 0.000 0.876 279 V N 2.399 122.215 119.914 -0.164 0.000 2.540 279 V HA 0.244 4.364 4.120 -0.000 0.000 0.302 279 V C -0.137 175.883 176.094 -0.123 0.000 1.035 279 V CA -0.527 61.677 62.300 -0.161 0.000 0.873 279 V CB 1.877 33.549 31.823 -0.252 0.000 0.992 279 V HN 0.448 nan 8.190 nan 0.000 0.428 280 D N 3.380 123.733 120.400 -0.079 0.000 2.393 280 D HA 0.151 4.791 4.640 -0.000 0.000 0.232 280 D C 1.131 177.419 176.300 -0.019 0.000 1.192 280 D CA -0.201 53.776 54.000 -0.039 0.000 0.882 280 D CB 1.719 42.509 40.800 -0.017 0.000 1.038 280 D HN 0.418 nan 8.370 nan 0.000 0.499 281 V N 1.519 121.426 119.914 -0.011 0.000 2.720 281 V HA -0.148 3.972 4.120 -0.000 0.000 0.256 281 V C 1.249 177.417 176.094 0.123 0.000 1.082 281 V CA 1.305 63.623 62.300 0.030 0.000 1.101 281 V CB -0.265 31.578 31.823 0.033 0.000 0.693 281 V HN 0.305 nan 8.190 nan 0.000 0.479 282 D N 1.533 121.992 120.400 0.100 0.000 2.310 282 D HA -0.074 4.566 4.640 -0.000 0.000 0.212 282 D C 2.236 178.595 176.300 0.098 0.000 0.965 282 D CA 1.874 55.940 54.000 0.110 0.000 0.879 282 D CB -0.062 40.785 40.800 0.078 0.000 0.921 282 D HN 0.795 nan 8.370 nan 0.000 0.510 283 T N -2.312 112.289 114.554 0.078 0.000 3.086 283 T HA 0.158 4.508 4.350 -0.000 0.000 0.250 283 T C 2.008 176.766 174.700 0.097 0.000 1.074 283 T CA -0.180 61.961 62.100 0.069 0.000 0.988 283 T CB -0.170 68.721 68.868 0.038 0.000 0.988 283 T HN 0.056 nan 8.240 nan 0.000 0.530 284 L N 1.150 122.461 121.223 0.146 0.000 2.141 284 L HA 0.238 4.578 4.340 -0.000 0.000 0.209 284 L C 1.592 178.615 176.870 0.256 0.000 1.094 284 L CA 1.031 56.002 54.840 0.217 0.000 0.763 284 L CB -1.125 41.112 42.059 0.297 0.000 0.908 284 L HN 0.725 nan 8.230 nan 0.000 0.437 285 G N -0.616 108.307 108.800 0.206 0.000 2.721 285 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.686 285 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.686 285 G C -0.376 174.658 174.900 0.224 0.000 1.236 285 G CA -0.569 44.615 45.100 0.141 0.000 0.786 285 G HN 0.425 nan 8.290 nan 0.000 0.616 286 A N 1.538 124.444 122.820 0.143 0.000 2.347 286 A HA 0.647 4.967 4.320 -0.000 0.000 0.287 286 A C -0.221 177.461 177.584 0.163 0.000 1.199 286 A CA -0.181 51.962 52.037 0.177 0.000 0.851 286 A CB 0.122 19.184 19.000 0.105 0.000 1.118 286 A HN 1.059 nan 8.150 nan 0.000 0.525 287 Y N 1.780 122.120 120.300 0.067 0.000 2.365 287 Y HA 0.396 4.946 4.550 -0.000 0.000 0.340 287 Y C 1.044 176.978 175.900 0.056 0.000 1.016 287 Y CA -0.005 58.134 58.100 0.064 0.000 1.196 287 Y CB 1.000 39.482 38.460 0.036 0.000 1.167 287 Y HN 0.808 nan 8.280 nan 0.000 0.509 288 A N 7.068 129.985 122.820 0.162 0.000 2.524 288 A HA 0.168 4.488 4.320 -0.000 0.000 0.250 288 A C -1.508 176.158 177.584 0.136 0.000 1.078 288 A CA -1.093 51.013 52.037 0.115 0.000 0.761 288 A CB 0.028 19.075 19.000 0.078 0.000 1.012 288 A HN 0.633 nan 8.150 nan 0.000 0.500 289 P HA -0.255 nan 4.420 nan 0.000 0.216 289 P C 1.335 178.684 177.300 0.082 0.000 1.154 289 P CA 1.807 64.953 63.100 0.076 0.000 0.865 289 P CB 0.133 31.858 31.700 0.041 0.000 0.789 290 E N -0.420 119.823 120.200 0.073 0.000 2.418 290 E HA -0.111 4.239 4.350 -0.000 0.000 0.197 290 E C 1.251 177.903 176.600 0.087 0.000 1.026 290 E CA 1.672 58.110 56.400 0.063 0.000 0.862 290 E CB -1.291 28.435 29.700 0.043 0.000 0.799 290 E HN 0.332 nan 8.360 nan 0.000 0.518 291 T N -1.430 113.206 114.554 0.137 0.000 3.065 291 T HA 0.163 4.512 4.350 -0.000 0.000 0.252 291 T C 0.907 175.810 174.700 0.338 0.000 1.099 291 T CA -0.197 62.022 62.100 0.198 0.000 1.063 291 T CB -0.091 68.915 68.868 0.230 0.000 0.948 291 T HN -0.053 nan 8.240 nan 0.000 0.506 292 V N 3.702 123.770 119.914 0.258 0.000 2.479 292 V HA 0.479 4.599 4.120 -0.000 0.000 0.281 292 V C 0.568 176.749 176.094 0.144 0.000 1.031 292 V CA -0.013 62.413 62.300 0.210 0.000 1.038 292 V CB -0.004 31.874 31.823 0.092 0.000 0.981 292 V HN 0.810 nan 8.190 nan 0.000 0.478 293 S N 2.116 117.911 115.700 0.157 0.000 2.794 293 S HA 0.327 4.797 4.470 -0.000 0.000 0.299 293 S C 0.816 175.435 174.600 0.031 0.000 1.179 293 S CA 0.100 58.354 58.200 0.091 0.000 0.838 293 S CB 1.619 64.888 63.200 0.115 0.000 1.206 293 S HN 0.487 nan 8.310 nan 0.000 0.523 294 E N 0.274 120.457 120.200 -0.027 0.000 2.118 294 E HA -0.206 4.143 4.350 -0.000 0.000 0.195 294 E C 0.921 177.297 176.600 -0.375 0.000 0.992 294 E CA 1.925 58.195 56.400 -0.217 0.000 0.804 294 E CB -0.774 28.755 29.700 -0.284 0.000 0.741 294 E HN 0.729 nan 8.360 nan 0.000 0.458 295 H N -2.627 116.440 119.070 -0.005 0.000 2.542 295 H HA 0.238 4.794 4.556 -0.000 0.000 0.283 295 H C -0.123 175.265 175.328 0.100 0.000 1.059 295 H CA 0.326 56.368 56.048 -0.010 0.000 1.162 295 H CB 0.173 29.938 29.762 0.004 0.000 1.539 295 H HN 0.358 nan 8.280 nan 0.000 0.543 296 H N 1.494 120.613 119.070 0.082 0.000 2.808 296 H HA 0.341 4.897 4.556 -0.000 0.000 0.268 296 H C -0.658 174.756 175.328 0.143 0.000 1.306 296 H CA -0.524 55.625 56.048 0.168 0.000 1.565 296 H CB 0.136 30.011 29.762 0.188 0.000 1.632 296 H HN 0.158 nan 8.280 nan 0.000 0.525 297 M N 1.883 121.364 119.600 -0.197 0.000 2.569 297 M HA 0.511 4.991 4.480 -0.000 0.000 0.279 297 M C -2.540 173.351 176.300 -0.682 0.000 1.253 297 M CA -2.234 52.799 55.300 -0.444 0.000 0.867 297 M CB 2.280 34.768 32.600 -0.187 0.000 1.727 297 M HN -0.045 nan 8.290 nan 0.000 0.467 298 P HA -0.126 nan 4.420 nan 0.000 0.218 298 P C 1.331 178.650 177.300 0.031 0.000 1.148 298 P CA 2.066 64.888 63.100 -0.464 0.000 0.822 298 P CB -0.061 31.649 31.700 0.016 0.000 0.784 299 S N -1.730 114.074 115.700 0.174 0.000 2.561 299 S HA 0.024 4.494 4.470 -0.000 0.000 0.225 299 S C 0.908 175.594 174.600 0.142 0.000 0.977 299 S CA 0.077 58.459 58.200 0.303 0.000 0.926 299 S CB -0.573 62.970 63.200 0.573 0.000 0.769 299 S HN 0.060 nan 8.310 nan 0.000 0.533 300 R N 1.122 121.633 120.500 0.019 0.000 2.288 300 R HA 0.542 4.882 4.340 -0.000 0.000 0.326 300 R C -0.903 175.431 176.300 0.056 0.000 0.959 300 R CA -0.356 55.730 56.100 -0.023 0.000 0.834 300 R CB 1.164 31.332 30.300 -0.221 0.000 1.157 300 R HN 0.307 nan 8.270 nan 0.000 0.470 301 L N 1.758 123.039 121.223 0.096 0.000 2.399 301 L HA 0.276 4.616 4.340 -0.000 0.000 0.265 301 L C 0.187 177.138 176.870 0.134 0.000 1.089 301 L CA -1.040 53.854 54.840 0.089 0.000 0.802 301 L CB 0.811 42.892 42.059 0.037 0.000 1.180 301 L HN 0.383 nan 8.230 nan 0.000 0.454 302 D N 0.977 121.445 120.400 0.114 0.000 2.629 302 D HA -0.092 4.547 4.640 -0.000 0.000 0.228 302 D C -0.264 176.129 176.300 0.154 0.000 1.127 302 D CA 0.433 54.511 54.000 0.129 0.000 0.855 302 D CB 0.234 41.080 40.800 0.077 0.000 1.180 302 D HN 0.114 nan 8.370 nan 0.000 0.484 303 F N 2.248 122.200 119.950 0.003 0.000 2.578 303 F HA 0.092 4.619 4.527 -0.000 0.000 0.376 303 F C 0.853 176.611 175.800 -0.070 0.000 1.085 303 F CA -0.693 57.270 58.000 -0.062 0.000 1.260 303 F CB 0.309 39.259 39.000 -0.085 0.000 1.095 303 F HN 0.134 nan 8.300 nan 0.000 0.573 304 T N 6.308 120.528 114.554 -0.556 0.000 3.042 304 T HA 0.256 4.605 4.350 -0.000 0.000 0.356 304 T C 1.056 175.241 174.700 -0.859 0.000 1.233 304 T CA -0.697 61.078 62.100 -0.543 0.000 1.038 304 T CB 0.453 69.145 68.868 -0.294 0.000 1.089 304 T HN 0.694 nan 8.240 nan 0.000 0.531 305 L N 2.717 123.392 121.223 -0.912 0.000 2.043 305 L HA -0.035 4.305 4.340 -0.000 0.000 0.212 305 L C 2.718 179.414 176.870 -0.290 0.000 1.075 305 L CA 2.828 57.234 54.840 -0.724 0.000 0.752 305 L CB -1.001 40.877 42.059 -0.302 0.000 0.891 305 L HN 0.763 nan 8.230 nan 0.000 0.432 306 E N -0.756 119.319 120.200 -0.207 0.000 2.130 306 E HA -0.302 4.048 4.350 -0.000 0.000 0.196 306 E C 1.892 178.458 176.600 -0.056 0.000 0.998 306 E CA 1.792 58.137 56.400 -0.092 0.000 0.806 306 E CB -1.115 28.538 29.700 -0.080 0.000 0.738 306 E HN 0.733 nan 8.360 nan 0.000 0.459 307 D N -1.564 118.778 120.400 -0.096 0.000 2.264 307 D HA -0.021 4.619 4.640 -0.000 0.000 0.208 307 D C 1.431 177.785 176.300 0.091 0.000 0.966 307 D CA 0.758 54.750 54.000 -0.014 0.000 0.864 307 D CB -0.073 40.677 40.800 -0.084 0.000 0.933 307 D HN 0.499 nan 8.370 nan 0.000 0.499 308 F N 0.977 120.878 119.950 -0.081 0.000 2.714 308 F HA 0.156 4.682 4.527 -0.000 0.000 0.294 308 F C 1.950 177.821 175.800 0.119 0.000 1.120 308 F CA 0.052 58.081 58.000 0.048 0.000 1.398 308 F CB 0.026 39.090 39.000 0.107 0.000 1.120 308 F HN -0.200 nan 8.300 nan 0.000 0.589 309 L N 0.996 122.265 121.223 0.076 0.000 2.013 309 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 309 L C -0.410 176.471 176.870 0.020 0.000 1.073 309 L CA 1.482 56.377 54.840 0.091 0.000 0.753 309 L CB -2.236 39.879 42.059 0.093 0.000 0.890 309 L HN 0.092 nan 8.230 nan 0.000 0.432 310 P HA -0.142 nan 4.420 nan 0.000 0.217 310 P C 1.473 178.713 177.300 -0.100 0.000 1.150 310 P CA 1.699 64.777 63.100 -0.035 0.000 0.832 310 P CB -0.012 31.679 31.700 -0.014 0.000 0.787 311 A N -0.942 121.736 122.820 -0.236 0.000 1.933 311 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 311 A C 2.247 179.657 177.584 -0.290 0.000 1.175 311 A CA 1.151 52.990 52.037 -0.330 0.000 0.628 311 A CB -1.909 16.756 19.000 -0.558 0.000 0.814 311 A HN 0.303 nan 8.150 nan 0.000 0.444 312 W N 0.880 121.799 121.300 -0.635 0.000 2.355 312 W HA -0.160 4.500 4.660 -0.000 0.000 0.309 312 W C 1.801 178.269 176.519 -0.084 0.000 1.206 312 W CA 1.587 58.776 57.345 -0.260 0.000 1.284 312 W CB -0.005 29.416 29.460 -0.065 0.000 1.145 312 W HN 0.371 nan 8.180 nan 0.000 0.502 313 E N 0.657 120.809 120.200 -0.081 0.000 2.058 313 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 313 E C 2.275 178.792 176.600 -0.138 0.000 0.997 313 E CA 1.720 58.030 56.400 -0.151 0.000 0.801 313 E CB -1.082 28.585 29.700 -0.055 0.000 0.746 313 E HN 0.336 nan 8.360 nan 0.000 0.450 314 A N 0.775 123.555 122.820 -0.066 0.000 1.933 314 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 314 A C 2.472 180.071 177.584 0.025 0.000 1.175 314 A CA 2.124 54.164 52.037 0.004 0.000 0.628 314 A CB -0.914 18.110 19.000 0.040 0.000 0.814 314 A HN 0.262 nan 8.150 nan 0.000 0.444 315 T N 0.119 114.676 114.554 0.004 0.000 2.684 315 T HA -0.153 4.196 4.350 -0.000 0.000 0.267 315 T C 1.901 176.456 174.700 -0.243 0.000 1.036 315 T CA 1.798 63.900 62.100 0.004 0.000 1.148 315 T CB -0.230 68.718 68.868 0.135 0.000 0.863 315 T HN 0.570 nan 8.240 nan 0.000 0.436 316 K N 0.678 120.833 120.400 -0.408 0.000 2.147 316 K HA -0.090 4.230 4.320 -0.000 0.000 0.205 316 K C 2.653 179.104 176.600 -0.249 0.000 1.049 316 K CA 0.893 56.931 56.287 -0.415 0.000 0.936 316 K CB -0.063 32.124 32.500 -0.522 0.000 0.722 316 K HN 0.277 nan 8.250 nan 0.000 0.446 317 Q N 0.685 120.380 119.800 -0.175 0.000 2.050 317 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 317 Q C 2.262 178.186 176.000 -0.127 0.000 0.980 317 Q CA 1.128 56.862 55.803 -0.114 0.000 0.840 317 Q CB -0.399 28.307 28.738 -0.054 0.000 0.898 317 Q HN 0.240 nan 8.270 nan 0.000 0.424 318 L N -0.265 120.871 121.223 -0.144 0.000 2.056 318 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 318 L C 0.617 177.334 176.870 -0.255 0.000 1.078 318 L CA 1.429 56.130 54.840 -0.231 0.000 0.749 318 L CB 0.100 41.958 42.059 -0.335 0.000 0.901 318 L HN 0.068 nan 8.230 nan 0.000 0.433 319 L N 0.062 121.114 121.223 -0.285 0.000 2.470 319 L HA 0.296 4.636 4.340 -0.000 0.000 0.253 319 L C -1.782 174.933 176.870 -0.257 0.000 1.163 319 L CA -1.246 53.417 54.840 -0.295 0.000 0.932 319 L CB 1.003 42.792 42.059 -0.450 0.000 1.213 319 L HN -0.094 nan 8.230 nan 0.000 0.485 320 P HA -0.177 nan 4.420 nan 0.000 0.219 320 P C 1.604 178.816 177.300 -0.148 0.000 1.146 320 P CA 1.060 64.064 63.100 -0.161 0.000 0.808 320 P CB 0.373 32.005 31.700 -0.112 0.000 0.779 321 A N -0.772 121.967 122.820 -0.135 0.000 2.024 321 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 321 A C 1.883 179.404 177.584 -0.105 0.000 1.164 321 A CA 1.441 53.419 52.037 -0.100 0.000 0.643 321 A CB -1.562 17.390 19.000 -0.081 0.000 0.806 321 A HN 0.120 nan 8.150 nan 0.000 0.451 322 L N -0.846 120.268 121.223 -0.182 0.000 2.465 322 L HA 0.038 4.378 4.340 -0.000 0.000 0.224 322 L C 2.686 179.478 176.870 -0.130 0.000 1.145 322 L CA 1.204 55.959 54.840 -0.142 0.000 0.834 322 L CB -0.577 41.343 42.059 -0.230 0.000 0.944 322 L HN 0.377 nan 8.230 nan 0.000 0.451 323 A N -1.179 121.532 122.820 -0.182 0.000 2.121 323 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 323 A C 1.526 179.108 177.584 -0.004 0.000 1.154 323 A CA 1.254 53.199 52.037 -0.153 0.000 0.679 323 A CB -0.319 18.587 19.000 -0.156 0.000 0.795 323 A HN 0.312 nan 8.150 nan 0.000 0.458 324 D N 0.121 120.528 120.400 0.012 0.000 2.336 324 D HA 0.101 4.741 4.640 -0.000 0.000 0.228 324 D C 0.625 176.985 176.300 0.100 0.000 1.120 324 D CA 0.756 54.787 54.000 0.051 0.000 0.839 324 D CB 0.140 40.957 40.800 0.028 0.000 0.932 324 D HN 0.541 nan 8.370 nan 0.000 0.509 325 S N -1.031 114.771 115.700 0.170 0.000 2.751 325 S HA 0.677 5.146 4.470 -0.000 0.000 0.310 325 S C -0.132 174.667 174.600 0.333 0.000 1.128 325 S CA -0.834 57.499 58.200 0.223 0.000 0.931 325 S CB 2.701 66.047 63.200 0.244 0.000 1.177 325 S HN -0.090 nan 8.310 nan 0.000 0.530 326 E N -0.413 119.922 120.200 0.226 0.000 2.378 326 E HA 0.491 4.840 4.350 -0.000 0.000 0.265 326 E C -1.017 175.503 176.600 -0.134 0.000 0.932 326 E CA -0.944 55.529 56.400 0.122 0.000 0.795 326 E CB 1.710 31.440 29.700 0.051 0.000 1.296 326 E HN 0.549 nan 8.360 nan 0.000 0.438 327 I N 1.933 122.252 120.570 -0.418 0.000 2.517 327 I HA -0.048 4.122 4.170 -0.000 0.000 0.285 327 I C 1.342 177.306 176.117 -0.255 0.000 1.106 327 I CA 0.719 61.729 61.300 -0.484 0.000 1.402 327 I CB 0.426 38.082 38.000 -0.573 0.000 1.399 327 I HN 0.688 nan 8.210 nan 0.000 0.535 328 E N 4.011 124.077 120.200 -0.223 0.000 2.110 328 E HA -0.033 4.316 4.350 -0.000 0.000 0.193 328 E C -0.169 176.327 176.600 -0.172 0.000 0.950 328 E CA 0.402 56.714 56.400 -0.146 0.000 0.840 328 E CB 0.553 30.198 29.700 -0.091 0.000 0.809 328 E HN 0.742 nan 8.360 nan 0.000 0.465 329 D N -0.940 119.317 120.400 -0.238 0.000 2.934 329 D HA 0.446 5.086 4.640 -0.000 0.000 0.230 329 D C -0.925 175.082 176.300 -0.488 0.000 1.204 329 D CA -0.598 53.258 54.000 -0.240 0.000 0.873 329 D CB 1.862 42.622 40.800 -0.066 0.000 1.645 329 D HN 0.190 nan 8.370 nan 0.000 0.502 330 G N 0.803 109.153 108.800 -0.749 0.000 2.605 330 G HA2 0.762 4.722 3.960 -0.000 0.000 0.296 330 G HA3 0.762 4.722 3.960 -0.000 0.000 0.296 330 G C -1.370 173.226 174.900 -0.506 0.000 1.304 330 G CA -0.964 43.334 45.100 -1.336 0.000 0.941 330 G HN 0.586 nan 8.290 nan 0.000 0.475 331 F N -1.796 117.903 119.950 -0.419 0.000 2.686 331 F HA 0.659 5.186 4.527 -0.000 0.000 0.311 331 F C -1.337 174.463 175.800 -0.000 0.000 1.128 331 F CA -1.782 56.169 58.000 -0.081 0.000 0.946 331 F CB 1.374 40.321 39.000 -0.089 0.000 1.336 331 F HN 0.227 nan 8.300 nan 0.000 0.457 332 N N 0.839 119.629 118.700 0.149 0.000 2.527 332 N HA 0.493 5.233 4.740 -0.000 0.000 0.236 332 N C -0.315 175.257 175.510 0.104 0.000 0.999 332 N CA -0.320 52.742 53.050 0.021 0.000 0.935 332 N CB 1.545 40.037 38.487 0.008 0.000 1.132 332 N HN 1.069 nan 8.380 nan 0.000 0.511 333 G N 1.637 110.456 108.800 0.031 0.000 2.332 333 G HA2 0.508 4.468 3.960 -0.000 0.000 0.310 333 G HA3 0.508 4.468 3.960 -0.000 0.000 0.310 333 G C 0.053 175.079 174.900 0.210 0.000 1.123 333 G CA -0.511 44.614 45.100 0.043 0.000 0.873 333 G HN 0.503 nan 8.290 nan 0.000 0.460 334 I N 2.284 122.957 120.570 0.172 0.000 2.441 334 I HA 0.454 4.624 4.170 -0.000 0.000 0.287 334 I C 0.342 176.700 176.117 0.401 0.000 1.049 334 I CA -0.222 61.092 61.300 0.023 0.000 1.381 334 I CB 0.611 38.186 38.000 -0.708 0.000 1.409 334 I HN 0.635 nan 8.210 nan 0.000 0.523 335 F N 1.856 121.873 119.950 0.112 0.000 3.168 335 F HA 0.694 5.221 4.527 -0.000 0.000 0.330 335 F C -0.780 175.139 175.800 0.198 0.000 1.220 335 F CA -1.016 57.125 58.000 0.235 0.000 0.960 335 F CB 1.194 40.340 39.000 0.244 0.000 1.501 335 F HN 0.168 nan 8.300 nan 0.000 0.521 336 S N 0.428 116.163 115.700 0.059 0.000 2.472 336 S HA 0.688 5.158 4.470 -0.000 0.000 0.303 336 S C -1.512 172.973 174.600 -0.193 0.000 1.099 336 S CA -0.353 57.836 58.200 -0.017 0.000 1.077 336 S CB 1.277 64.505 63.200 0.048 0.000 1.031 336 S HN 0.396 nan 8.310 nan 0.000 0.487 337 F N 1.343 121.152 119.950 -0.235 0.000 2.561 337 F HA 0.659 5.186 4.527 -0.000 0.000 0.321 337 F C 0.860 176.628 175.800 -0.053 0.000 1.065 337 F CA -0.527 57.382 58.000 -0.152 0.000 0.934 337 F CB 2.140 41.065 39.000 -0.125 0.000 1.215 337 F HN 0.586 nan 8.300 nan 0.000 0.471 338 T N -1.355 113.276 114.554 0.129 0.000 2.907 338 T HA 0.464 4.814 4.350 -0.000 0.000 0.290 338 T C -2.545 172.256 174.700 0.169 0.000 1.066 338 T CA -2.242 59.930 62.100 0.119 0.000 1.012 338 T CB 2.208 71.162 68.868 0.142 0.000 1.184 338 T HN 0.171 nan 8.240 nan 0.000 0.522 339 P HA 0.022 nan 4.420 nan 0.000 0.220 339 P C 0.479 177.928 177.300 0.248 0.000 1.148 339 P CA 1.103 64.319 63.100 0.192 0.000 0.803 339 P CB 0.001 31.886 31.700 0.309 0.000 0.782 340 D N -3.811 116.774 120.400 0.308 0.000 2.513 340 D HA 0.205 4.845 4.640 -0.000 0.000 0.222 340 D C 1.287 177.704 176.300 0.194 0.000 1.210 340 D CA 0.076 54.221 54.000 0.242 0.000 0.825 340 D CB -0.615 40.328 40.800 0.237 0.000 1.037 340 D HN 0.104 nan 8.370 nan 0.000 0.506 341 G N -0.471 108.446 108.800 0.194 0.000 2.212 341 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.266 341 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.266 341 G C 0.689 175.690 174.900 0.167 0.000 0.978 341 G CA 0.123 45.324 45.100 0.168 0.000 0.632 341 G HN 0.827 nan 8.290 nan 0.000 0.537 342 G N 0.535 109.434 108.800 0.165 0.000 2.476 342 G HA2 0.693 4.653 3.960 -0.000 0.000 0.286 342 G HA3 0.693 4.653 3.960 -0.000 0.000 0.286 342 G C -1.422 173.574 174.900 0.161 0.000 1.177 342 G CA -0.426 44.759 45.100 0.142 0.000 0.870 342 G HN 0.298 nan 8.290 nan 0.000 0.528 343 P HA 0.289 nan 4.420 nan 0.000 0.286 343 P C -0.649 176.752 177.300 0.168 0.000 1.293 343 P CA -0.421 62.766 63.100 0.145 0.000 0.770 343 P CB 1.113 32.905 31.700 0.154 0.000 1.206 344 L N 0.276 121.590 121.223 0.153 0.000 2.401 344 L HA 0.453 4.792 4.340 -0.000 0.000 0.263 344 L C -0.178 176.778 176.870 0.144 0.000 1.004 344 L CA -0.289 54.657 54.840 0.176 0.000 0.881 344 L CB 0.615 42.777 42.059 0.172 0.000 1.219 344 L HN 0.162 nan 8.230 nan 0.000 0.441 345 L N 2.168 123.477 121.223 0.142 0.000 2.341 345 L HA 1.005 5.344 4.340 -0.000 0.000 0.267 345 L C 0.542 177.498 176.870 0.143 0.000 1.009 345 L CA -0.795 54.120 54.840 0.124 0.000 0.819 345 L CB 1.992 44.115 42.059 0.106 0.000 1.323 345 L HN 0.688 nan 8.230 nan 0.000 0.425 346 G N 1.078 109.984 108.800 0.175 0.000 2.384 346 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.668 346 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.668 346 G C -1.269 173.727 174.900 0.160 0.000 1.280 346 G CA -0.758 44.471 45.100 0.214 0.000 0.992 346 G HN 0.705 nan 8.290 nan 0.000 0.512 347 E N 0.124 120.315 120.200 -0.016 0.000 2.316 347 E HA 0.489 4.839 4.350 -0.000 0.000 0.275 347 E C 1.228 177.755 176.600 -0.122 0.000 1.029 347 E CA 0.246 56.406 56.400 -0.399 0.000 0.871 347 E CB 0.579 29.962 29.700 -0.529 0.000 1.022 347 E HN 0.958 nan 8.360 nan 0.000 0.418 348 S N 3.670 119.335 115.700 -0.058 0.000 2.573 348 S HA 0.035 4.505 4.470 -0.000 0.000 0.277 348 S C 0.810 175.406 174.600 -0.005 0.000 1.346 348 S CA -0.203 58.022 58.200 0.041 0.000 1.034 348 S CB 1.235 64.504 63.200 0.116 0.000 0.879 348 S HN 0.613 nan 8.310 nan 0.000 0.528 349 K N 1.236 121.642 120.400 0.010 0.000 2.217 349 K HA -0.053 4.266 4.320 -0.000 0.000 0.202 349 K C 1.622 178.211 176.600 -0.018 0.000 1.051 349 K CA 1.424 57.708 56.287 -0.004 0.000 0.952 349 K CB -0.132 32.375 32.500 0.012 0.000 0.736 349 K HN 0.642 nan 8.250 nan 0.000 0.453 350 E N 0.053 120.238 120.200 -0.025 0.000 2.299 350 E HA 0.032 4.382 4.350 -0.000 0.000 0.193 350 E C -0.409 176.166 176.600 -0.042 0.000 0.998 350 E CA 0.375 56.749 56.400 -0.044 0.000 0.851 350 E CB 0.348 30.004 29.700 -0.074 0.000 0.795 350 E HN -0.044 nan 8.360 nan 0.000 0.492 351 L N 1.030 122.237 121.223 -0.027 0.000 2.580 351 L HA 0.306 4.646 4.340 -0.000 0.000 0.266 351 L C -1.756 175.140 176.870 0.044 0.000 0.955 351 L CA -0.681 54.158 54.840 -0.000 0.000 0.886 351 L CB 1.755 43.786 42.059 -0.046 0.000 1.263 351 L HN -0.240 nan 8.230 nan 0.000 0.406 352 D N 3.638 124.074 120.400 0.061 0.000 2.455 352 D HA 0.480 5.120 4.640 -0.000 0.000 0.241 352 D C 1.223 177.582 176.300 0.099 0.000 1.138 352 D CA 1.569 55.618 54.000 0.081 0.000 0.877 352 D CB 1.097 41.984 40.800 0.145 0.000 1.187 352 D HN 0.931 nan 8.370 nan 0.000 0.451 353 G N 1.578 110.422 108.800 0.073 0.000 2.179 353 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 353 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 353 G C 0.185 175.236 174.900 0.252 0.000 0.977 353 G CA -0.067 45.159 45.100 0.210 0.000 0.641 353 G HN 0.468 nan 8.290 nan 0.000 0.533 354 F N 1.619 121.548 119.950 -0.036 0.000 2.385 354 F HA 0.739 5.266 4.527 -0.000 0.000 0.360 354 F C -0.125 175.612 175.800 -0.104 0.000 1.122 354 F CA -1.213 56.802 58.000 0.024 0.000 1.090 354 F CB 0.672 39.676 39.000 0.006 0.000 1.150 354 F HN 0.050 nan 8.300 nan 0.000 0.472 355 Y N 4.170 124.301 120.300 -0.283 0.000 2.562 355 Y HA 0.632 5.182 4.550 -0.000 0.000 0.343 355 Y C -0.470 175.309 175.900 -0.202 0.000 1.025 355 Y CA -1.285 56.739 58.100 -0.126 0.000 1.082 355 Y CB 1.855 40.254 38.460 -0.101 0.000 1.264 355 Y HN 0.441 nan 8.280 nan 0.000 0.478 356 V N -0.664 119.332 119.914 0.136 0.000 2.715 356 V HA 0.999 5.119 4.120 -0.000 0.000 0.310 356 V C -0.648 175.497 176.094 0.085 0.000 1.054 356 V CA -1.139 61.217 62.300 0.094 0.000 0.928 356 V CB 1.460 33.374 31.823 0.152 0.000 1.007 356 V HN 0.948 nan 8.190 nan 0.000 0.437 357 A N 2.962 125.810 122.820 0.047 0.000 2.984 357 A HA 0.774 5.094 4.320 -0.000 0.000 0.320 357 A C -0.432 177.179 177.584 0.044 0.000 1.142 357 A CA -0.413 51.646 52.037 0.036 0.000 0.772 357 A CB 0.287 19.281 19.000 -0.011 0.000 1.195 357 A HN 0.953 nan 8.150 nan 0.000 0.459 358 E N 0.319 120.561 120.200 0.070 0.000 2.393 358 E HA 0.693 5.043 4.350 -0.000 0.000 0.273 358 E C -0.092 176.551 176.600 0.072 0.000 0.918 358 E CA -0.703 55.742 56.400 0.075 0.000 0.773 358 E CB 2.067 31.822 29.700 0.093 0.000 1.275 358 E HN 1.721 nan 8.360 nan 0.000 0.451 359 A N 0.382 123.236 122.820 0.056 0.000 2.546 359 A HA -0.120 4.200 4.320 -0.000 0.000 0.295 359 A C -0.719 176.857 177.584 -0.014 0.000 1.455 359 A CA 0.316 52.354 52.037 0.002 0.000 0.730 359 A CB -1.894 17.108 19.000 0.004 0.000 1.111 359 A HN 0.183 nan 8.150 nan 0.000 0.411 360 V N 0.809 120.730 119.914 0.010 0.000 2.531 360 V HA 0.570 4.690 4.120 -0.000 0.000 0.301 360 V C 0.384 176.545 176.094 0.113 0.000 1.034 360 V CA -0.807 61.555 62.300 0.104 0.000 0.865 360 V CB 1.526 33.416 31.823 0.111 0.000 0.995 360 V HN 0.628 nan 8.190 nan 0.000 0.424 361 W N 2.878 124.315 121.300 0.229 0.000 2.150 361 W HA 0.332 4.992 4.660 -0.000 0.000 0.341 361 W C 1.495 178.048 176.519 0.057 0.000 1.276 361 W CA -0.037 57.395 57.345 0.145 0.000 1.238 361 W CB 0.493 30.012 29.460 0.098 0.000 1.128 361 W HN 0.358 nan 8.180 nan 0.000 0.581 362 V N 1.669 121.744 119.914 0.268 0.000 2.380 362 V HA -0.349 3.771 4.120 -0.000 0.000 0.251 362 V C 2.021 178.172 176.094 0.094 0.000 1.063 362 V CA 2.524 64.908 62.300 0.139 0.000 1.055 362 V CB -1.209 30.674 31.823 0.101 0.000 0.657 362 V HN 0.826 nan 8.190 nan 0.000 0.455 363 T N -0.909 113.675 114.554 0.051 0.000 2.721 363 T HA -0.275 4.075 4.350 -0.000 0.000 0.268 363 T C 1.408 175.998 174.700 -0.184 0.000 1.038 363 T CA 2.298 64.304 62.100 -0.158 0.000 1.145 363 T CB -0.356 68.277 68.868 -0.390 0.000 0.858 363 T HN 0.765 nan 8.240 nan 0.000 0.459 364 H N -0.348 118.853 119.070 0.218 0.000 2.652 364 H HA 0.260 4.816 4.556 -0.000 0.000 0.274 364 H C 2.349 177.722 175.328 0.074 0.000 1.021 364 H CA 0.362 56.534 56.048 0.207 0.000 1.187 364 H CB 0.292 30.247 29.762 0.321 0.000 1.505 364 H HN 0.325 nan 8.280 nan 0.000 0.530 365 S N 0.915 116.699 115.700 0.140 0.000 2.365 365 S HA -0.260 4.210 4.470 -0.000 0.000 0.225 365 S C 2.373 176.976 174.600 0.004 0.000 1.039 365 S CA 1.062 59.296 58.200 0.057 0.000 1.033 365 S CB -0.445 62.785 63.200 0.050 0.000 0.887 365 S HN 0.443 nan 8.310 nan 0.000 0.447 366 A N 1.747 124.591 122.820 0.039 0.000 1.968 366 A HA 0.312 4.632 4.320 -0.000 0.000 0.217 366 A C 2.369 180.054 177.584 0.168 0.000 1.169 366 A CA 1.345 53.438 52.037 0.093 0.000 0.638 366 A CB -1.581 17.428 19.000 0.016 0.000 0.812 366 A HN 0.653 nan 8.150 nan 0.000 0.446 367 G N -0.609 108.253 108.800 0.104 0.000 2.402 367 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.216 367 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.216 367 G C 1.491 175.879 174.900 -0.853 0.000 1.162 367 G CA 1.117 46.138 45.100 -0.132 0.000 0.777 367 G HN 0.275 nan 8.290 nan 0.000 0.539 368 V N 1.519 120.899 119.914 -0.890 0.000 2.343 368 V HA -0.132 3.988 4.120 -0.000 0.000 0.247 368 V C 3.329 179.189 176.094 -0.389 0.000 1.051 368 V CA 2.040 63.868 62.300 -0.786 0.000 1.036 368 V CB -0.733 30.858 31.823 -0.385 0.000 0.654 368 V HN 0.467 nan 8.190 nan 0.000 0.451 369 A N -0.190 122.491 122.820 -0.232 0.000 1.902 369 A HA -0.291 4.029 4.320 -0.000 0.000 0.217 369 A C 2.340 179.826 177.584 -0.164 0.000 1.181 369 A CA 2.298 54.249 52.037 -0.143 0.000 0.623 369 A CB -0.523 18.441 19.000 -0.061 0.000 0.818 369 A HN 0.549 nan 8.150 nan 0.000 0.443 370 K N -0.282 120.008 120.400 -0.182 0.000 2.026 370 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 370 K C 2.159 178.622 176.600 -0.229 0.000 1.048 370 K CA 1.361 57.507 56.287 -0.235 0.000 0.929 370 K CB -0.379 31.855 32.500 -0.443 0.000 0.713 370 K HN 0.344 nan 8.250 nan 0.000 0.439 371 A N 1.312 123.992 122.820 -0.232 0.000 1.877 371 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 371 A C 2.159 179.660 177.584 -0.138 0.000 1.186 371 A CA 1.700 53.655 52.037 -0.135 0.000 0.620 371 A CB -0.434 18.537 19.000 -0.050 0.000 0.822 371 A HN 0.320 nan 8.150 nan 0.000 0.443 372 M N -0.460 119.041 119.600 -0.165 0.000 2.159 372 M HA -0.086 4.394 4.480 -0.000 0.000 0.263 372 M C 2.482 178.638 176.300 -0.241 0.000 1.063 372 M CA 1.539 56.737 55.300 -0.171 0.000 1.110 372 M CB -1.515 30.988 32.600 -0.160 0.000 1.374 372 M HN 0.495 nan 8.290 nan 0.000 0.411 373 A N 0.069 122.745 122.820 -0.241 0.000 1.930 373 A HA -0.155 4.164 4.320 -0.000 0.000 0.217 373 A C 2.079 179.458 177.584 -0.341 0.000 1.175 373 A CA 1.570 53.425 52.037 -0.303 0.000 0.627 373 A CB -0.594 18.260 19.000 -0.243 0.000 0.815 373 A HN 0.550 nan 8.150 nan 0.000 0.443 374 E N -0.663 119.386 120.200 -0.252 0.000 2.051 374 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 374 E C 1.937 178.414 176.600 -0.206 0.000 0.991 374 E CA 1.205 57.475 56.400 -0.217 0.000 0.799 374 E CB -0.279 29.329 29.700 -0.153 0.000 0.748 374 E HN 0.494 nan 8.360 nan 0.000 0.449 375 L N 0.994 122.114 121.223 -0.172 0.000 2.012 375 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 375 L C 2.010 178.761 176.870 -0.198 0.000 1.073 375 L CA 1.659 56.425 54.840 -0.123 0.000 0.748 375 L CB -0.267 41.755 42.059 -0.060 0.000 0.891 375 L HN 0.138 nan 8.230 nan 0.000 0.431 376 L N -1.192 119.814 121.223 -0.362 0.000 2.072 376 L HA -0.144 4.196 4.340 -0.000 0.000 0.205 376 L C 2.374 178.896 176.870 -0.581 0.000 1.079 376 L CA 1.694 56.247 54.840 -0.477 0.000 0.752 376 L CB -0.951 40.754 42.059 -0.590 0.000 0.906 376 L HN 0.513 nan 8.230 nan 0.000 0.436 377 T N -5.678 108.418 114.554 -0.763 0.000 3.067 377 T HA -0.041 4.309 4.350 -0.000 0.000 0.257 377 T C 1.468 175.999 174.700 -0.282 0.000 1.105 377 T CA 0.980 62.553 62.100 -0.879 0.000 1.104 377 T CB -0.064 68.171 68.868 -1.054 0.000 0.925 377 T HN 0.397 nan 8.240 nan 0.000 0.498 378 T N -3.549 110.882 114.554 -0.204 0.000 2.986 378 T HA 0.524 4.874 4.350 -0.000 0.000 0.264 378 T C 1.824 176.486 174.700 -0.062 0.000 0.964 378 T CA 0.705 62.745 62.100 -0.100 0.000 0.895 378 T CB 0.094 68.906 68.868 -0.094 0.000 1.163 378 T HN 0.869 nan 8.240 nan 0.000 0.517 379 G N 2.338 111.106 108.800 -0.053 0.000 2.176 379 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.253 379 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.253 379 G C 0.048 174.970 174.900 0.037 0.000 0.979 379 G CA 0.222 45.330 45.100 0.013 0.000 0.641 379 G HN 1.030 nan 8.290 nan 0.000 0.530 380 R N -1.084 119.415 120.500 -0.002 0.000 2.707 380 R HA 0.761 5.101 4.340 -0.000 0.000 0.272 380 R C -0.488 175.795 176.300 -0.028 0.000 1.011 380 R CA -0.090 56.014 56.100 0.007 0.000 0.893 380 R CB 1.059 31.373 30.300 0.023 0.000 1.233 380 R HN 0.575 nan 8.270 nan 0.000 0.464 381 S N 0.287 115.977 115.700 -0.016 0.000 2.562 381 S HA 0.119 4.589 4.470 -0.000 0.000 0.275 381 S C 0.374 174.952 174.600 -0.037 0.000 1.281 381 S CA -0.618 57.565 58.200 -0.030 0.000 1.045 381 S CB 0.975 64.179 63.200 0.006 0.000 0.962 381 S HN 0.691 nan 8.310 nan 0.000 0.503 382 E N 2.610 122.776 120.200 -0.057 0.000 2.478 382 E HA 0.040 4.390 4.350 -0.000 0.000 0.198 382 E C 0.119 176.671 176.600 -0.079 0.000 1.046 382 E CA 0.540 56.898 56.400 -0.069 0.000 0.870 382 E CB -0.078 29.572 29.700 -0.083 0.000 0.818 382 E HN 0.572 nan 8.360 nan 0.000 0.527 383 T N 1.173 115.696 114.554 -0.052 0.000 2.829 383 T HA 0.133 4.482 4.350 -0.000 0.000 0.280 383 T C -0.476 174.176 174.700 -0.081 0.000 0.999 383 T CA -0.885 61.164 62.100 -0.085 0.000 0.983 383 T CB 1.856 70.698 68.868 -0.042 0.000 0.968 383 T HN -0.088 nan 8.240 nan 0.000 0.446 384 D N 2.375 122.689 120.400 -0.144 0.000 2.451 384 D HA -0.019 4.621 4.640 -0.000 0.000 0.254 384 D C 0.496 176.743 176.300 -0.088 0.000 1.204 384 D CA 0.186 54.119 54.000 -0.113 0.000 0.896 384 D CB 0.288 40.983 40.800 -0.175 0.000 1.136 384 D HN 0.416 nan 8.370 nan 0.000 0.499 385 L N 3.641 124.866 121.223 0.003 0.000 2.741 385 L HA 0.264 4.604 4.340 -0.000 0.000 0.237 385 L C 2.242 179.144 176.870 0.054 0.000 1.178 385 L CA -0.107 54.758 54.840 0.042 0.000 0.973 385 L CB 0.088 42.200 42.059 0.088 0.000 1.255 385 L HN 0.625 nan 8.230 nan 0.000 0.498 386 G N 0.591 109.423 108.800 0.054 0.000 2.475 386 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.220 386 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.220 386 G C 1.291 176.219 174.900 0.046 0.000 1.125 386 G CA 1.265 46.437 45.100 0.121 0.000 0.755 386 G HN 0.542 nan 8.290 nan 0.000 0.565 387 E N -1.204 118.985 120.200 -0.018 0.000 2.481 387 E HA 0.311 4.660 4.350 -0.000 0.000 0.198 387 E C 1.636 178.231 176.600 -0.009 0.000 1.027 387 E CA 0.624 57.003 56.400 -0.036 0.000 0.900 387 E CB -0.647 29.013 29.700 -0.067 0.000 0.993 387 E HN 0.461 nan 8.360 nan 0.000 0.482 388 C N 0.489 119.806 119.300 0.029 0.000 3.364 388 C HA 0.238 4.698 4.460 -0.000 0.000 0.340 388 C C 0.847 175.898 174.990 0.102 0.000 1.336 388 C CA -0.806 58.263 59.018 0.086 0.000 1.778 388 C CB 0.140 27.962 27.740 0.138 0.000 2.398 388 C HN 0.570 nan 8.230 nan 0.000 0.667 389 D N 1.493 121.940 120.400 0.078 0.000 2.425 389 D HA 0.027 4.667 4.640 -0.000 0.000 0.247 389 D C 0.896 177.264 176.300 0.113 0.000 1.147 389 D CA 0.144 54.201 54.000 0.094 0.000 0.879 389 D CB 0.718 41.566 40.800 0.080 0.000 1.179 389 D HN 0.272 nan 8.370 nan 0.000 0.456 390 I N 3.495 124.161 120.570 0.159 0.000 2.423 390 I HA -0.273 3.897 4.170 -0.000 0.000 0.254 390 I C 2.130 178.389 176.117 0.236 0.000 1.151 390 I CA 1.748 63.188 61.300 0.232 0.000 1.421 390 I CB -0.087 38.027 38.000 0.190 0.000 1.079 390 I HN 0.523 nan 8.210 nan 0.000 0.431 391 T N -1.503 113.135 114.554 0.139 0.000 3.148 391 T HA -0.043 4.307 4.350 -0.000 0.000 0.253 391 T C 1.819 176.559 174.700 0.068 0.000 1.134 391 T CA 0.417 62.585 62.100 0.114 0.000 1.051 391 T CB -0.705 68.213 68.868 0.083 0.000 0.959 391 T HN 0.596 nan 8.240 nan 0.000 0.525 392 R N 0.001 120.490 120.500 -0.019 0.000 2.237 392 R HA 0.097 4.437 4.340 -0.000 0.000 0.219 392 R C -0.095 176.080 176.300 -0.208 0.000 1.080 392 R CA 0.311 56.322 56.100 -0.149 0.000 0.995 392 R CB -0.698 29.430 30.300 -0.287 0.000 0.875 392 R HN 0.385 nan 8.270 nan 0.000 0.462 393 F N 2.526 122.511 119.950 0.058 0.000 2.399 393 F HA 0.187 4.713 4.527 -0.000 0.000 0.342 393 F C 0.968 176.766 175.800 -0.002 0.000 1.106 393 F CA -0.675 57.340 58.000 0.025 0.000 1.196 393 F CB 0.778 39.786 39.000 0.013 0.000 1.163 393 F HN -0.106 nan 8.300 nan 0.000 0.547 394 E N 1.654 121.938 120.200 0.140 0.000 2.345 394 E HA 0.021 4.371 4.350 -0.000 0.000 0.259 394 E C 0.427 177.016 176.600 -0.018 0.000 1.117 394 E CA -0.173 56.253 56.400 0.044 0.000 0.913 394 E CB 0.631 30.329 29.700 -0.003 0.000 1.057 394 E HN 0.570 nan 8.360 nan 0.000 0.432 395 D N 0.519 120.890 120.400 -0.047 0.000 2.133 395 D HA -0.156 4.484 4.640 -0.000 0.000 0.195 395 D C 1.818 178.029 176.300 -0.148 0.000 0.997 395 D CA 1.559 55.513 54.000 -0.077 0.000 0.840 395 D CB -0.199 40.560 40.800 -0.068 0.000 0.947 395 D HN 0.327 nan 8.370 nan 0.000 0.452 396 V N -1.125 118.662 119.914 -0.213 0.000 2.720 396 V HA -0.167 3.953 4.120 -0.000 0.000 0.256 396 V C 1.712 177.504 176.094 -0.503 0.000 1.082 396 V CA 1.307 63.440 62.300 -0.279 0.000 1.101 396 V CB -0.815 30.836 31.823 -0.286 0.000 0.693 396 V HN 0.109 nan 8.190 nan 0.000 0.479 397 Q N -0.225 119.221 119.800 -0.590 0.000 2.451 397 Q HA 0.309 4.649 4.340 -0.000 0.000 0.206 397 Q C 1.686 177.423 176.000 -0.439 0.000 0.947 397 Q CA 0.578 55.781 55.803 -1.001 0.000 0.937 397 Q CB 0.215 28.703 28.738 -0.417 0.000 1.025 397 Q HN 0.620 nan 8.270 nan 0.000 0.511 398 L N 0.306 121.379 121.223 -0.249 0.000 2.693 398 L HA 0.122 4.462 4.340 -0.000 0.000 0.235 398 L C 0.925 177.745 176.870 -0.083 0.000 1.127 398 L CA -0.191 54.557 54.840 -0.152 0.000 0.914 398 L CB 0.426 42.429 42.059 -0.092 0.000 1.193 398 L HN 0.101 nan 8.230 nan 0.000 0.502 399 T N -3.189 111.326 114.554 -0.065 0.000 2.926 399 T HA 0.112 4.462 4.350 -0.000 0.000 0.307 399 T C -1.650 173.061 174.700 0.018 0.000 1.059 399 T CA -1.260 60.830 62.100 -0.018 0.000 1.122 399 T CB 1.088 69.951 68.868 -0.008 0.000 0.972 399 T HN -0.162 nan 8.240 nan 0.000 0.545 400 P HA -0.094 nan 4.420 nan 0.000 0.216 400 P C 1.252 178.561 177.300 0.015 0.000 1.150 400 P CA 1.159 64.262 63.100 0.004 0.000 0.843 400 P CB 0.073 31.770 31.700 -0.005 0.000 0.787 401 E N -1.885 118.329 120.200 0.023 0.000 2.072 401 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 401 E C 2.010 178.638 176.600 0.047 0.000 0.985 401 E CA 1.027 57.440 56.400 0.020 0.000 0.801 401 E CB -1.061 28.649 29.700 0.016 0.000 0.750 401 E HN 0.341 nan 8.360 nan 0.000 0.452 402 Y N 0.733 121.004 120.300 -0.049 0.000 2.145 402 Y HA -0.237 4.312 4.550 -0.000 0.000 0.286 402 Y C 2.076 177.948 175.900 -0.047 0.000 1.145 402 Y CA 1.195 59.268 58.100 -0.045 0.000 1.148 402 Y CB -0.139 38.292 38.460 -0.048 0.000 0.981 402 Y HN -0.138 nan 8.280 nan 0.000 0.507 403 V N -0.649 119.355 119.914 0.150 0.000 2.332 403 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 403 V C 2.619 178.695 176.094 -0.030 0.000 1.055 403 V CA 2.101 64.427 62.300 0.044 0.000 1.038 403 V CB -1.151 30.675 31.823 0.005 0.000 0.651 403 V HN 0.530 nan 8.190 nan 0.000 0.450 404 S N -0.671 115.008 115.700 -0.034 0.000 2.356 404 S HA -0.280 4.190 4.470 -0.000 0.000 0.223 404 S C 2.121 176.669 174.600 -0.086 0.000 1.032 404 S CA 2.145 60.311 58.200 -0.058 0.000 1.005 404 S CB -0.275 62.895 63.200 -0.050 0.000 0.867 404 S HN 0.734 nan 8.310 nan 0.000 0.449 405 E N -0.286 119.850 120.200 -0.107 0.000 2.047 405 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 405 E C 2.095 178.602 176.600 -0.156 0.000 0.987 405 E CA 1.758 58.081 56.400 -0.128 0.000 0.799 405 E CB -0.328 29.290 29.700 -0.137 0.000 0.752 405 E HN 0.816 nan 8.360 nan 0.000 0.449 406 T N -1.899 112.509 114.554 -0.244 0.000 2.942 406 T HA 0.014 4.364 4.350 -0.000 0.000 0.265 406 T C 2.114 176.776 174.700 -0.064 0.000 1.062 406 T CA 1.116 63.083 62.100 -0.223 0.000 1.139 406 T CB -0.116 68.504 68.868 -0.413 0.000 0.883 406 T HN -0.034 nan 8.240 nan 0.000 0.468 407 S N 1.851 117.530 115.700 -0.035 0.000 2.383 407 S HA -0.088 4.382 4.470 -0.000 0.000 0.227 407 S C 2.253 176.865 174.600 0.019 0.000 1.026 407 S CA 0.964 59.202 58.200 0.062 0.000 0.981 407 S CB -0.379 62.866 63.200 0.075 0.000 0.818 407 S HN 0.605 nan 8.310 nan 0.000 0.472 408 Q N 0.911 120.674 119.800 -0.061 0.000 2.119 408 Q HA -0.161 4.179 4.340 -0.000 0.000 0.201 408 Q C 2.384 178.381 176.000 -0.005 0.000 0.972 408 Q CA 1.189 56.935 55.803 -0.094 0.000 0.847 408 Q CB -0.199 28.470 28.738 -0.115 0.000 0.903 408 Q HN 0.599 nan 8.270 nan 0.000 0.433 409 Q N 0.954 120.752 119.800 -0.004 0.000 2.084 409 Q HA -0.235 4.105 4.340 -0.000 0.000 0.202 409 Q C 1.733 177.774 176.000 0.067 0.000 0.978 409 Q CA 1.574 57.391 55.803 0.023 0.000 0.844 409 Q CB -0.035 28.699 28.738 -0.007 0.000 0.898 409 Q HN 0.278 nan 8.270 nan 0.000 0.426 410 N N -0.439 118.325 118.700 0.107 0.000 2.094 410 N HA -0.212 4.528 4.740 -0.000 0.000 0.191 410 N C 1.430 177.065 175.510 0.208 0.000 1.023 410 N CA 1.570 54.737 53.050 0.196 0.000 0.857 410 N CB -0.325 38.351 38.487 0.316 0.000 1.013 410 N HN 0.363 nan 8.380 nan 0.000 0.426 411 F N 0.220 120.111 119.950 -0.097 0.000 2.113 411 F HA -0.091 4.436 4.527 -0.000 0.000 0.297 411 F C 2.002 177.689 175.800 -0.188 0.000 1.103 411 F CA 1.027 58.805 58.000 -0.370 0.000 1.248 411 F CB -0.389 38.137 39.000 -0.791 0.000 0.999 411 F HN -0.111 nan 8.300 nan 0.000 0.475 412 V N 0.323 120.293 119.914 0.094 0.000 2.392 412 V HA -0.293 3.826 4.120 -0.000 0.000 0.249 412 V C 1.619 177.684 176.094 -0.048 0.000 1.059 412 V CA 2.288 64.602 62.300 0.023 0.000 1.051 412 V CB -0.696 31.171 31.823 0.073 0.000 0.658 412 V HN 0.372 nan 8.190 nan 0.000 0.455 413 E N -0.811 119.383 120.200 -0.011 0.000 2.444 413 E HA 0.180 4.530 4.350 -0.000 0.000 0.191 413 E C 1.813 178.422 176.600 0.016 0.000 1.041 413 E CA -0.163 56.251 56.400 0.022 0.000 0.883 413 E CB 0.196 29.936 29.700 0.067 0.000 1.024 413 E HN 0.604 nan 8.360 nan 0.000 0.470 414 I N 0.344 120.857 120.570 -0.096 0.000 2.194 414 I HA -0.299 3.871 4.170 -0.000 0.000 0.246 414 I C 0.880 177.063 176.117 0.109 0.000 1.093 414 I CA 1.405 62.659 61.300 -0.077 0.000 1.355 414 I CB 0.201 37.942 38.000 -0.432 0.000 1.046 414 I HN 0.163 nan 8.210 nan 0.000 0.413 415 Y N 0.853 121.071 120.300 -0.137 0.000 2.607 415 Y HA 0.264 4.814 4.550 -0.000 0.000 0.266 415 Y C 0.048 175.939 175.900 -0.015 0.000 1.178 415 Y CA -1.290 56.766 58.100 -0.074 0.000 1.226 415 Y CB -0.686 37.746 38.460 -0.046 0.000 1.144 415 Y HN 0.132 nan 8.280 nan 0.000 0.528 416 D N -0.479 120.008 120.400 0.146 0.000 2.313 416 D HA 0.184 4.824 4.640 -0.000 0.000 0.247 416 D C -0.093 176.294 176.300 0.145 0.000 1.094 416 D CA -0.048 54.029 54.000 0.127 0.000 0.925 416 D CB 1.954 42.825 40.800 0.119 0.000 1.188 416 D HN -0.269 nan 8.370 nan 0.000 0.430 417 V N 2.735 122.745 119.914 0.160 0.000 2.455 417 V HA 0.247 4.367 4.120 -0.000 0.000 0.273 417 V C 0.213 176.501 176.094 0.323 0.000 1.045 417 V CA -0.194 62.239 62.300 0.221 0.000 0.976 417 V CB 0.054 32.001 31.823 0.207 0.000 0.993 417 V HN 0.265 nan 8.190 nan 0.000 0.475 418 L N 4.387 125.842 121.223 0.387 0.000 2.408 418 L HA 0.518 4.858 4.340 -0.000 0.000 0.268 418 L C -0.090 177.075 176.870 0.491 0.000 0.986 418 L CA -0.755 54.314 54.840 0.382 0.000 0.820 418 L CB 2.079 44.291 42.059 0.254 0.000 1.303 418 L HN 0.607 nan 8.230 nan 0.000 0.411 419 H N 4.269 123.458 119.070 0.198 0.000 2.707 419 H HA 0.131 4.687 4.556 -0.000 0.000 0.359 419 H C -1.862 173.534 175.328 0.114 0.000 1.113 419 H CA -1.166 54.847 56.048 -0.059 0.000 1.422 419 H CB 2.003 31.575 29.762 -0.318 0.000 1.443 419 H HN 0.350 nan 8.280 nan 0.000 0.591 420 P HA -0.093 nan 4.420 nan 0.000 0.221 420 P C 1.384 178.773 177.300 0.149 0.000 1.145 420 P CA 0.984 64.135 63.100 0.085 0.000 0.795 420 P CB 0.249 31.983 31.700 0.058 0.000 0.775 421 L N -1.605 119.821 121.223 0.339 0.000 2.592 421 L HA 0.126 4.466 4.340 -0.000 0.000 0.227 421 L C 1.107 177.689 176.870 -0.479 0.000 1.127 421 L CA -0.260 54.592 54.840 0.019 0.000 0.884 421 L CB -0.516 41.590 42.059 0.077 0.000 1.065 421 L HN -0.050 nan 8.230 nan 0.000 0.457 422 Q N 2.943 122.543 119.800 -0.333 0.000 2.262 422 Q HA 0.061 4.401 4.340 -0.000 0.000 0.298 422 Q C -2.169 173.621 176.000 -0.351 0.000 1.083 422 Q CA -0.795 54.716 55.803 -0.488 0.000 0.962 422 Q CB 0.354 29.102 28.738 0.017 0.000 1.104 422 Q HN 0.030 nan 8.270 nan 0.000 0.376 423 P HA 0.270 nan 4.420 nan 0.000 0.281 423 P C -0.904 176.343 177.300 -0.088 0.000 1.264 423 P CA -0.491 62.483 63.100 -0.210 0.000 0.824 423 P CB 0.966 32.522 31.700 -0.241 0.000 1.092 424 R N 0.492 120.963 120.500 -0.050 0.000 2.641 424 R HA 0.249 4.589 4.340 -0.000 0.000 0.269 424 R C 1.217 177.497 176.300 -0.033 0.000 1.074 424 R CA -0.432 55.651 56.100 -0.028 0.000 1.133 424 R CB 0.294 30.576 30.300 -0.031 0.000 1.029 424 R HN 0.487 nan 8.270 nan 0.000 0.488 425 L N -0.030 121.181 121.223 -0.020 0.000 2.529 425 L HA 0.128 4.468 4.340 -0.000 0.000 0.223 425 L C 0.694 177.545 176.870 -0.031 0.000 1.113 425 L CA 0.369 55.197 54.840 -0.020 0.000 0.861 425 L CB 0.321 42.379 42.059 -0.000 0.000 1.012 425 L HN 0.521 nan 8.230 nan 0.000 0.461 426 S N -0.478 115.198 115.700 -0.039 0.000 2.543 426 S HA 0.451 4.921 4.470 -0.000 0.000 0.274 426 S C -2.829 171.725 174.600 -0.077 0.000 1.149 426 S CA -0.950 57.220 58.200 -0.049 0.000 0.866 426 S CB 1.982 65.156 63.200 -0.043 0.000 1.111 426 S HN -0.201 nan 8.310 nan 0.000 0.457 427 P HA 0.498 nan 4.420 nan 0.000 0.279 427 P C -0.968 176.321 177.300 -0.017 0.000 1.239 427 P CA -0.508 62.567 63.100 -0.040 0.000 0.789 427 P CB 0.517 32.213 31.700 -0.008 0.000 0.933 428 R N 1.621 122.098 120.500 -0.038 0.000 2.869 428 R HA 0.343 4.682 4.340 -0.000 0.000 0.263 428 R C 0.288 176.528 176.300 -0.100 0.000 1.066 428 R CA -0.808 55.256 56.100 -0.060 0.000 0.960 428 R CB 0.468 30.724 30.300 -0.074 0.000 1.221 428 R HN 0.494 nan 8.270 nan 0.000 0.474 429 N N 0.598 119.206 118.700 -0.153 0.000 2.725 429 N HA -0.194 4.546 4.740 -0.000 0.000 0.249 429 N C 0.858 176.239 175.510 -0.214 0.000 1.103 429 N CA 0.627 53.538 53.050 -0.231 0.000 0.707 429 N CB -1.159 37.184 38.487 -0.239 0.000 1.043 429 N HN 0.493 nan 8.380 nan 0.000 0.553 430 L N -0.620 120.498 121.223 -0.175 0.000 2.044 430 L HA -0.025 4.315 4.340 -0.000 0.000 0.205 430 L C 0.911 177.607 176.870 -0.289 0.000 1.075 430 L CA 1.303 56.029 54.840 -0.189 0.000 0.747 430 L CB -0.010 41.964 42.059 -0.142 0.000 0.903 430 L HN 0.094 nan 8.230 nan 0.000 0.435 431 R N 0.010 120.294 120.500 -0.360 0.000 2.480 431 R HA 0.529 4.869 4.340 -0.000 0.000 0.306 431 R C -1.157 174.960 176.300 -0.305 0.000 0.958 431 R CA -0.388 55.375 56.100 -0.561 0.000 0.861 431 R CB 2.348 31.936 30.300 -1.188 0.000 1.171 431 R HN -0.072 nan 8.270 nan 0.000 0.445 432 V N -0.772 119.016 119.914 -0.210 0.000 2.876 432 V HA 0.650 4.769 4.120 -0.000 0.000 0.312 432 V C 0.217 176.424 176.094 0.188 0.000 1.085 432 V CA -0.995 61.296 62.300 -0.015 0.000 0.945 432 V CB 1.915 33.488 31.823 -0.417 0.000 1.017 432 V HN 0.863 nan 8.190 nan 0.000 0.428 433 S N 2.305 118.156 115.700 0.251 0.000 2.624 433 S HA 0.497 4.967 4.470 -0.000 0.000 0.263 433 S C -1.710 172.748 174.600 -0.237 0.000 1.287 433 S CA -0.681 57.518 58.200 -0.002 0.000 0.990 433 S CB 0.824 63.937 63.200 -0.144 0.000 0.950 433 S HN 0.708 nan 8.310 nan 0.000 0.561 434 P HA 0.066 nan 4.420 nan 0.000 0.225 434 P C 0.323 177.378 177.300 -0.408 0.000 1.148 434 P CA 0.987 63.816 63.100 -0.452 0.000 0.779 434 P CB -0.178 31.225 31.700 -0.495 0.000 0.780 435 F N -3.044 116.732 119.950 -0.290 0.000 2.732 435 F HA 0.084 4.610 4.527 -0.000 0.000 0.303 435 F C 2.365 177.716 175.800 -0.749 0.000 1.110 435 F CA -0.226 57.327 58.000 -0.745 0.000 1.355 435 F CB -0.788 37.454 39.000 -1.263 0.000 1.081 435 F HN 0.091 nan 8.300 nan 0.000 0.565 436 H N 1.390 120.292 119.070 -0.279 0.000 2.353 436 H HA -0.154 4.402 4.556 -0.000 0.000 0.300 436 H C 2.185 177.489 175.328 -0.040 0.000 1.090 436 H CA 1.535 57.542 56.048 -0.069 0.000 1.327 436 H CB 0.149 29.880 29.762 -0.052 0.000 1.383 436 H HN 0.323 nan 8.280 nan 0.000 0.508 437 A N 1.730 124.506 122.820 -0.075 0.000 1.902 437 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 437 A C 2.512 179.996 177.584 -0.167 0.000 1.181 437 A CA 1.210 53.190 52.037 -0.094 0.000 0.623 437 A CB -0.317 18.656 19.000 -0.046 0.000 0.818 437 A HN 0.317 nan 8.150 nan 0.000 0.443 438 R N -0.636 119.683 120.500 -0.301 0.000 2.092 438 R HA -0.099 4.241 4.340 -0.000 0.000 0.231 438 R C 1.901 178.045 176.300 -0.260 0.000 1.119 438 R CA 1.745 57.615 56.100 -0.382 0.000 0.970 438 R CB -1.084 28.768 30.300 -0.748 0.000 0.864 438 R HN 0.829 nan 8.270 nan 0.000 0.440 439 H N 0.388 119.299 119.070 -0.264 0.000 2.353 439 H HA -0.006 4.550 4.556 -0.000 0.000 0.300 439 H C 2.046 177.369 175.328 -0.008 0.000 1.090 439 H CA 0.984 57.011 56.048 -0.035 0.000 1.327 439 H CB 0.225 30.032 29.762 0.076 0.000 1.383 439 H HN 0.116 nan 8.280 nan 0.000 0.508 440 K N 0.803 121.240 120.400 0.060 0.000 2.097 440 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 440 K C 1.959 178.583 176.600 0.041 0.000 1.049 440 K CA 1.249 57.564 56.287 0.047 0.000 0.933 440 K CB -0.002 32.490 32.500 -0.013 0.000 0.717 440 K HN 0.440 nan 8.250 nan 0.000 0.442 441 E N 0.712 120.914 120.200 0.003 0.000 2.118 441 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 441 E C 1.491 178.116 176.600 0.041 0.000 0.992 441 E CA 0.877 57.280 56.400 0.005 0.000 0.804 441 E CB -0.010 29.663 29.700 -0.044 0.000 0.741 441 E HN 0.238 nan 8.360 nan 0.000 0.458 442 L N -0.177 121.086 121.223 0.067 0.000 2.629 442 L HA 0.171 4.511 4.340 -0.000 0.000 0.230 442 L C 0.881 177.888 176.870 0.228 0.000 1.151 442 L CA 0.004 54.926 54.840 0.137 0.000 0.924 442 L CB 0.097 42.207 42.059 0.085 0.000 1.137 442 L HN 0.208 nan 8.230 nan 0.000 0.457 443 G N 1.029 109.915 108.800 0.144 0.000 2.295 443 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.287 443 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.287 443 G C 0.431 175.333 174.900 0.002 0.000 1.055 443 G CA 0.116 45.277 45.100 0.103 0.000 0.922 443 G HN 0.517 nan 8.290 nan 0.000 0.503 444 A N -0.288 122.420 122.820 -0.187 0.000 2.540 444 A HA 0.492 4.812 4.320 -0.000 0.000 0.239 444 A C 0.149 177.305 177.584 -0.714 0.000 1.061 444 A CA 0.246 51.793 52.037 -0.817 0.000 0.758 444 A CB 0.263 18.444 19.000 -1.365 0.000 0.991 444 A HN 1.472 nan 8.150 nan 0.000 0.502 445 F N 3.511 122.871 119.950 -0.983 0.000 2.350 445 F HA 0.575 5.102 4.527 -0.000 0.000 0.365 445 F C -0.850 174.499 175.800 -0.752 0.000 1.122 445 F CA -0.774 56.731 58.000 -0.825 0.000 1.139 445 F CB 0.167 38.353 39.000 -1.357 0.000 1.220 445 F HN 0.446 nan 8.300 nan 0.000 0.499 446 F N 6.537 126.091 119.950 -0.660 0.000 2.404 446 F HA 0.534 5.061 4.527 -0.000 0.000 0.339 446 F C -0.281 175.222 175.800 -0.495 0.000 1.105 446 F CA -0.578 57.177 58.000 -0.408 0.000 1.087 446 F CB 1.121 39.985 39.000 -0.227 0.000 1.143 446 F HN 0.214 nan 8.300 nan 0.000 0.491 447 L N 2.019 123.204 121.223 -0.064 0.000 2.323 447 L HA 0.566 4.906 4.340 -0.000 0.000 0.265 447 L C -0.871 176.034 176.870 0.058 0.000 1.012 447 L CA -1.124 53.621 54.840 -0.158 0.000 0.820 447 L CB 2.373 44.166 42.059 -0.443 0.000 1.334 447 L HN 0.572 nan 8.230 nan 0.000 0.427 448 E N 1.069 121.287 120.200 0.030 0.000 2.227 448 E HA 0.832 5.182 4.350 -0.000 0.000 0.268 448 E C -1.310 175.377 176.600 0.145 0.000 0.907 448 E CA -0.769 55.699 56.400 0.113 0.000 0.786 448 E CB 2.294 32.038 29.700 0.075 0.000 1.191 448 E HN 0.643 nan 8.360 nan 0.000 0.411 449 A N 1.473 124.420 122.820 0.211 0.000 2.488 449 A HA 0.652 4.971 4.320 -0.000 0.000 0.295 449 A C 0.550 178.292 177.584 0.263 0.000 1.045 449 A CA -0.443 51.722 52.037 0.213 0.000 0.703 449 A CB 0.909 20.039 19.000 0.217 0.000 1.271 449 A HN 1.636 nan 8.150 nan 0.000 0.400 450 G N 0.648 109.573 108.800 0.208 0.000 2.179 450 G HA2 0.151 4.111 3.960 -0.000 0.000 0.257 450 G HA3 0.151 4.111 3.960 -0.000 0.000 0.257 450 G C 1.750 176.693 174.900 0.072 0.000 1.010 450 G CA 1.571 46.782 45.100 0.185 0.000 0.736 450 G HN 2.944 nan 8.290 nan 0.000 0.513 451 G N -2.476 106.358 108.800 0.057 0.000 2.225 451 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.254 451 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.254 451 G C 0.459 175.296 174.900 -0.105 0.000 0.988 451 G CA 0.531 45.586 45.100 -0.075 0.000 0.625 451 G HN 1.131 nan 8.290 nan 0.000 0.527 452 W N 1.970 123.282 121.300 0.019 0.000 2.272 452 W HA 0.620 5.279 4.660 -0.000 0.000 0.318 452 W C 0.390 176.931 176.519 0.035 0.000 1.255 452 W CA -0.723 56.633 57.345 0.017 0.000 1.200 452 W CB 0.737 30.226 29.460 0.049 0.000 1.170 452 W HN -0.060 nan 8.180 nan 0.000 0.549 453 E N 3.700 124.069 120.200 0.282 0.000 2.180 453 E HA 0.202 4.552 4.350 -0.000 0.000 0.283 453 E C -0.356 176.510 176.600 0.443 0.000 1.061 453 E CA -0.278 56.241 56.400 0.199 0.000 0.861 453 E CB 0.740 30.338 29.700 -0.170 0.000 1.056 453 E HN 0.369 nan 8.360 nan 0.000 0.407 454 R N 3.849 124.625 120.500 0.460 0.000 2.409 454 R HA 0.353 4.692 4.340 -0.000 0.000 0.313 454 R C -2.478 173.969 176.300 0.245 0.000 0.953 454 R CA -2.030 54.285 56.100 0.359 0.000 0.849 454 R CB 1.537 32.000 30.300 0.272 0.000 1.171 454 R HN 0.174 nan 8.270 nan 0.000 0.458 455 P HA -0.017 nan 4.420 nan 0.000 0.271 455 P C -0.469 176.672 177.300 -0.265 0.000 1.220 455 P CA 0.117 62.863 63.100 -0.589 0.000 0.768 455 P CB 0.430 31.442 31.700 -1.147 0.000 0.848 456 Y N 2.318 122.367 120.300 -0.418 0.000 2.503 456 Y HA 0.174 4.723 4.550 -0.000 0.000 0.278 456 Y C 0.533 176.476 175.900 0.071 0.000 1.111 456 Y CA 0.831 58.871 58.100 -0.100 0.000 1.270 456 Y CB 0.156 38.611 38.460 -0.007 0.000 1.063 456 Y HN 0.531 nan 8.280 nan 0.000 0.548 457 W N -3.443 117.797 121.300 -0.100 0.000 2.882 457 W HA 0.545 5.205 4.660 -0.000 0.000 0.382 457 W C -2.388 173.892 176.519 -0.399 0.000 1.143 457 W CA -2.079 55.196 57.345 -0.117 0.000 1.155 457 W CB -0.051 29.429 29.460 0.032 0.000 1.466 457 W HN -0.324 nan 8.180 nan 0.000 0.570 458 F N 1.712 121.850 119.950 0.313 0.000 2.507 458 F HA 0.384 4.910 4.527 -0.000 0.000 0.328 458 F C 1.256 177.207 175.800 0.252 0.000 1.136 458 F CA -0.849 57.242 58.000 0.152 0.000 0.930 458 F CB 2.307 41.344 39.000 0.062 0.000 1.166 458 F HN 0.595 nan 8.300 nan 0.000 0.436 459 E N 1.819 122.235 120.200 0.360 0.000 2.265 459 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 459 E C 2.059 178.793 176.600 0.223 0.000 0.996 459 E CA 1.070 57.643 56.400 0.288 0.000 0.832 459 E CB 0.088 29.923 29.700 0.226 0.000 0.756 459 E HN 0.767 nan 8.360 nan 0.000 0.491 460 A N 1.465 124.428 122.820 0.238 0.000 2.024 460 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 460 A C 1.674 179.358 177.584 0.166 0.000 1.164 460 A CA 1.210 53.358 52.037 0.185 0.000 0.643 460 A CB -0.234 18.877 19.000 0.186 0.000 0.806 460 A HN 0.150 nan 8.150 nan 0.000 0.451 461 N N 0.018 118.836 118.700 0.197 0.000 2.467 461 N HA 0.089 4.829 4.740 -0.000 0.000 0.184 461 N C 1.653 177.230 175.510 0.113 0.000 1.106 461 N CA 0.887 54.027 53.050 0.150 0.000 0.892 461 N CB -0.261 38.331 38.487 0.174 0.000 0.969 461 N HN 0.472 nan 8.380 nan 0.000 0.454 462 A N 1.225 124.110 122.820 0.108 0.000 1.948 462 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 462 A C 2.308 179.926 177.584 0.057 0.000 1.177 462 A CA 1.817 53.891 52.037 0.062 0.000 0.636 462 A CB -0.628 18.408 19.000 0.060 0.000 0.815 462 A HN 0.286 nan 8.150 nan 0.000 0.449 463 A N -0.603 122.260 122.820 0.071 0.000 2.070 463 A HA 0.039 4.359 4.320 -0.000 0.000 0.220 463 A C 1.988 179.613 177.584 0.069 0.000 1.159 463 A CA 1.310 53.384 52.037 0.061 0.000 0.656 463 A CB -0.499 18.539 19.000 0.063 0.000 0.800 463 A HN 0.505 nan 8.150 nan 0.000 0.453 464 L N -0.942 120.336 121.223 0.092 0.000 2.395 464 L HA -0.024 4.316 4.340 -0.000 0.000 0.218 464 L C 2.087 179.037 176.870 0.134 0.000 1.130 464 L CA 0.237 55.167 54.840 0.151 0.000 0.826 464 L CB -0.357 41.823 42.059 0.201 0.000 0.941 464 L HN 0.355 nan 8.230 nan 0.000 0.451 465 L N 0.414 121.673 121.223 0.059 0.000 2.131 465 L HA -0.206 4.133 4.340 -0.000 0.000 0.210 465 L C 2.620 179.471 176.870 -0.031 0.000 1.092 465 L CA 1.341 56.178 54.840 -0.006 0.000 0.759 465 L CB -0.614 41.429 42.059 -0.026 0.000 0.903 465 L HN 0.345 nan 8.230 nan 0.000 0.435 466 K N 0.305 120.703 120.400 -0.003 0.000 2.280 466 K HA -0.124 4.196 4.320 -0.000 0.000 0.202 466 K C 1.766 178.354 176.600 -0.020 0.000 1.047 466 K CA 1.548 57.828 56.287 -0.012 0.000 0.942 466 K CB -0.307 32.196 32.500 0.004 0.000 0.739 466 K HN 0.356 nan 8.250 nan 0.000 0.457 467 E N 1.650 121.850 120.200 0.000 0.000 2.452 467 E HA 0.157 4.507 4.350 -0.000 0.000 0.197 467 E C 0.675 177.192 176.600 -0.139 0.000 1.022 467 E CA 0.008 56.417 56.400 0.015 0.000 0.890 467 E CB -0.157 29.631 29.700 0.146 0.000 0.918 467 E HN 0.448 nan 8.360 nan 0.000 0.496 468 M N 1.717 121.113 119.600 -0.341 0.000 2.228 468 M HA 0.307 4.787 4.480 -0.000 0.000 0.351 468 M C -2.476 173.495 176.300 -0.549 0.000 1.233 468 M CA -1.863 52.883 55.300 -0.923 0.000 1.129 468 M CB 1.159 33.307 32.600 -0.753 0.000 1.604 468 M HN -0.096 nan 8.290 nan 0.000 0.457 469 P HA 0.092 nan 4.420 nan 0.000 0.268 469 P C -0.428 176.811 177.300 -0.102 0.000 1.205 469 P CA -0.014 62.971 63.100 -0.191 0.000 0.771 469 P CB 0.683 32.360 31.700 -0.039 0.000 0.858 470 A N 3.782 126.563 122.820 -0.066 0.000 2.024 470 A HA -0.205 4.114 4.320 -0.000 0.000 0.220 470 A C 1.767 179.331 177.584 -0.033 0.000 1.164 470 A CA 1.320 53.328 52.037 -0.048 0.000 0.643 470 A CB -0.857 18.118 19.000 -0.042 0.000 0.806 470 A HN 0.660 nan 8.150 nan 0.000 0.451 471 E N -0.954 119.221 120.200 -0.043 0.000 2.267 471 E HA -0.248 4.101 4.350 -0.000 0.000 0.197 471 E C 1.320 177.809 176.600 -0.184 0.000 0.998 471 E CA 1.178 57.507 56.400 -0.118 0.000 0.830 471 E CB -0.547 29.056 29.700 -0.163 0.000 0.751 471 E HN 0.910 nan 8.360 nan 0.000 0.491 472 W N 0.788 122.021 121.300 -0.112 0.000 3.077 472 W HA 0.267 4.927 4.660 -0.000 0.000 0.266 472 W C 0.465 176.965 176.519 -0.032 0.000 1.300 472 W CA -0.717 56.583 57.345 -0.075 0.000 1.586 472 W CB 0.252 29.563 29.460 -0.249 0.000 1.103 472 W HN -0.052 nan 8.180 nan 0.000 0.652 473 L N 3.829 125.113 121.223 0.102 0.000 2.313 473 L HA 0.340 4.680 4.340 -0.000 0.000 0.282 473 L C -1.835 175.053 176.870 0.029 0.000 1.092 473 L CA -1.883 52.983 54.840 0.043 0.000 0.831 473 L CB 0.083 42.130 42.059 -0.020 0.000 1.159 473 L HN -0.304 nan 8.230 nan 0.000 0.442 474 P HA 0.394 nan 4.420 nan 0.000 0.276 474 P C -2.704 174.491 177.300 -0.175 0.000 1.252 474 P CA -1.331 61.661 63.100 -0.181 0.000 0.802 474 P CB -0.343 31.106 31.700 -0.417 0.000 1.035 475 P HA 0.171 nan 4.420 nan 0.000 0.274 475 P C -0.487 176.732 177.300 -0.136 0.000 1.246 475 P CA -0.335 62.692 63.100 -0.122 0.000 0.795 475 P CB 0.233 31.886 31.700 -0.078 0.000 1.006 476 A N 2.201 124.969 122.820 -0.087 0.000 2.555 476 A HA 0.066 4.386 4.320 -0.000 0.000 0.233 476 A C 0.614 178.155 177.584 -0.072 0.000 1.060 476 A CA 0.185 52.176 52.037 -0.076 0.000 0.759 476 A CB -0.329 18.640 19.000 -0.051 0.000 0.995 476 A HN 0.463 nan 8.150 nan 0.000 0.506 477 R N 0.713 121.175 120.500 -0.063 0.000 2.536 477 R HA 0.313 4.653 4.340 -0.000 0.000 0.279 477 R C -0.430 175.874 176.300 0.007 0.000 1.001 477 R CA -0.534 55.549 56.100 -0.027 0.000 1.027 477 R CB 0.934 31.218 30.300 -0.027 0.000 1.096 477 R HN 0.924 nan 8.270 nan 0.000 0.502 478 D N 0.780 121.212 120.400 0.054 0.000 2.384 478 D HA 0.047 4.687 4.640 -0.000 0.000 0.244 478 D C 0.851 177.201 176.300 0.084 0.000 1.251 478 D CA -0.239 53.805 54.000 0.073 0.000 0.961 478 D CB 0.519 41.391 40.800 0.119 0.000 1.116 478 D HN 0.439 nan 8.370 nan 0.000 0.484 479 A N 0.038 122.903 122.820 0.074 0.000 1.933 479 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 479 A C 1.927 179.601 177.584 0.149 0.000 1.175 479 A CA 1.140 53.218 52.037 0.070 0.000 0.628 479 A CB -1.229 17.805 19.000 0.057 0.000 0.814 479 A HN 0.792 nan 8.150 nan 0.000 0.444 480 W N 1.333 122.647 121.300 0.023 0.000 2.408 480 W HA -0.170 4.490 4.660 -0.000 0.000 0.311 480 W C 2.549 179.257 176.519 0.315 0.000 1.190 480 W CA 2.095 59.532 57.345 0.153 0.000 1.321 480 W CB -0.319 29.166 29.460 0.040 0.000 1.143 480 W HN 0.503 nan 8.180 nan 0.000 0.501 481 S N -0.001 115.962 115.700 0.438 0.000 2.447 481 S HA -0.042 4.428 4.470 -0.000 0.000 0.233 481 S C 1.857 176.554 174.600 0.161 0.000 1.006 481 S CA 1.271 59.673 58.200 0.338 0.000 0.957 481 S CB -0.848 62.527 63.200 0.293 0.000 0.773 481 S HN 0.205 nan 8.310 nan 0.000 0.507 482 G N 0.906 109.746 108.800 0.067 0.000 2.650 482 G HA2 0.234 4.194 3.960 -0.000 0.000 0.214 482 G HA3 0.234 4.194 3.960 -0.000 0.000 0.214 482 G C 0.498 175.297 174.900 -0.168 0.000 1.136 482 G CA -0.335 44.738 45.100 -0.045 0.000 0.789 482 G HN 0.484 nan 8.290 nan 0.000 0.536 483 M N 0.094 119.526 119.600 -0.280 0.000 2.239 483 M HA 0.286 4.766 4.480 -0.000 0.000 0.348 483 M C 0.020 175.997 176.300 -0.538 0.000 1.239 483 M CA 0.146 55.054 55.300 -0.654 0.000 1.114 483 M CB 0.014 32.017 32.600 -0.995 0.000 1.641 483 M HN 0.244 nan 8.290 nan 0.000 0.453 484 F N -0.435 119.421 119.950 -0.157 0.000 3.093 484 F HA -0.272 4.254 4.527 -0.000 0.000 0.287 484 F C 0.475 176.405 175.800 0.217 0.000 0.882 484 F CA 0.427 58.454 58.000 0.045 0.000 1.063 484 F CB -1.804 37.179 39.000 -0.027 0.000 1.097 484 F HN 0.646 nan 8.300 nan 0.000 0.604 485 S N -0.679 115.078 115.700 0.096 0.000 2.632 485 S HA 0.864 5.334 4.470 -0.000 0.000 0.289 485 S C -0.580 173.643 174.600 -0.629 0.000 1.115 485 S CA 0.197 58.355 58.200 -0.069 0.000 0.889 485 S CB 2.401 65.606 63.200 0.009 0.000 1.116 485 S HN 0.508 nan 8.310 nan 0.000 0.486 486 S N 1.489 116.668 115.700 -0.869 0.000 2.537 486 S HA 0.580 5.050 4.470 -0.000 0.000 0.271 486 S C -2.538 171.725 174.600 -0.562 0.000 1.148 486 S CA -1.063 56.573 58.200 -0.939 0.000 0.868 486 S CB 1.411 63.518 63.200 -1.822 0.000 1.115 486 S HN 0.470 nan 8.310 nan 0.000 0.461 487 P HA 0.029 nan 4.420 nan 0.000 0.221 487 P C 1.214 178.362 177.300 -0.254 0.000 1.145 487 P CA 0.870 63.826 63.100 -0.239 0.000 0.795 487 P CB -0.055 31.536 31.700 -0.182 0.000 0.775 488 I N -0.683 119.681 120.570 -0.344 0.000 2.423 488 I HA -0.264 3.906 4.170 -0.000 0.000 0.254 488 I C 2.241 178.261 176.117 -0.160 0.000 1.151 488 I CA 1.271 62.436 61.300 -0.225 0.000 1.421 488 I CB -0.713 37.154 38.000 -0.221 0.000 1.079 488 I HN -0.052 nan 8.210 nan 0.000 0.431 489 A N 0.799 123.484 122.820 -0.226 0.000 1.972 489 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 489 A C 2.570 179.904 177.584 -0.415 0.000 1.169 489 A CA 1.738 53.704 52.037 -0.118 0.000 0.635 489 A CB -0.657 18.369 19.000 0.042 0.000 0.810 489 A HN 0.433 nan 8.150 nan 0.000 0.446 490 A N -0.027 122.426 122.820 -0.612 0.000 1.877 490 A HA 0.165 4.485 4.320 -0.000 0.000 0.216 490 A C 2.511 179.979 177.584 -0.194 0.000 1.186 490 A CA 2.018 53.623 52.037 -0.719 0.000 0.620 490 A CB -1.041 17.774 19.000 -0.307 0.000 0.822 490 A HN 1.062 nan 8.150 nan 0.000 0.443 491 A N -0.229 122.553 122.820 -0.064 0.000 1.933 491 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 491 A C 1.908 179.542 177.584 0.083 0.000 1.175 491 A CA 1.694 53.810 52.037 0.132 0.000 0.628 491 A CB -0.504 18.581 19.000 0.141 0.000 0.814 491 A HN 0.655 nan 8.150 nan 0.000 0.444 492 E N -0.364 119.847 120.200 0.017 0.000 2.152 492 E HA -0.027 4.323 4.350 -0.000 0.000 0.192 492 E C 2.304 178.926 176.600 0.037 0.000 0.983 492 E CA 0.725 57.143 56.400 0.030 0.000 0.818 492 E CB -0.239 29.528 29.700 0.112 0.000 0.758 492 E HN 0.628 nan 8.360 nan 0.000 0.467 493 A N 1.270 124.111 122.820 0.035 0.000 1.873 493 A HA -0.195 4.125 4.320 -0.000 0.000 0.215 493 A C 1.874 179.423 177.584 -0.059 0.000 1.186 493 A CA 1.293 53.396 52.037 0.110 0.000 0.616 493 A CB -1.032 18.104 19.000 0.227 0.000 0.823 493 A HN 0.504 nan 8.150 nan 0.000 0.442 494 W N 1.256 122.242 121.300 -0.524 0.000 2.302 494 W HA -0.236 4.424 4.660 -0.000 0.000 0.320 494 W C 1.855 177.986 176.519 -0.646 0.000 1.241 494 W CA 2.416 59.054 57.345 -1.178 0.000 1.264 494 W CB -0.227 28.569 29.460 -1.107 0.000 1.154 494 W HN 0.140 nan 8.180 nan 0.000 0.483 495 K N -0.414 119.580 120.400 -0.678 0.000 2.148 495 K HA -0.073 4.246 4.320 -0.000 0.000 0.204 495 K C 1.963 178.348 176.600 -0.358 0.000 1.050 495 K CA 1.928 57.785 56.287 -0.718 0.000 0.942 495 K CB -1.137 31.044 32.500 -0.532 0.000 0.724 495 K HN 0.228 nan 8.250 nan 0.000 0.446 496 T N 1.267 115.725 114.554 -0.159 0.000 2.746 496 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 496 T C 1.829 176.518 174.700 -0.018 0.000 1.039 496 T CA 0.939 63.053 62.100 0.025 0.000 1.142 496 T CB 0.047 69.052 68.868 0.228 0.000 0.866 496 T HN 0.136 nan 8.240 nan 0.000 0.444 497 R N 0.997 121.451 120.500 -0.076 0.000 2.193 497 R HA 0.022 4.362 4.340 -0.000 0.000 0.213 497 R C 2.353 178.644 176.300 -0.014 0.000 1.055 497 R CA 1.491 57.586 56.100 -0.008 0.000 0.995 497 R CB -0.444 29.921 30.300 0.107 0.000 0.893 497 R HN 0.602 nan 8.270 nan 0.000 0.459 498 T N -4.895 109.555 114.554 -0.174 0.000 2.975 498 T HA 0.493 4.843 4.350 -0.000 0.000 0.261 498 T C 0.923 175.506 174.700 -0.195 0.000 0.984 498 T CA 0.230 62.239 62.100 -0.151 0.000 0.911 498 T CB 0.708 69.460 68.868 -0.194 0.000 1.127 498 T HN 0.114 nan 8.240 nan 0.000 0.514 499 A N 0.786 123.459 122.820 -0.245 0.000 2.597 499 A HA 0.895 5.215 4.320 -0.000 0.000 0.191 499 A C -0.743 176.750 177.584 -0.152 0.000 1.336 499 A CA 0.145 52.055 52.037 -0.211 0.000 1.516 499 A CB 0.821 19.630 19.000 -0.317 0.000 1.849 499 A HN 0.889 nan 8.150 nan 0.000 0.640 500 V N -0.734 119.081 119.914 -0.165 0.000 2.924 500 V HA 0.686 4.806 4.120 -0.000 0.000 0.300 500 V C -1.360 174.654 176.094 -0.133 0.000 1.227 500 V CA 0.162 62.389 62.300 -0.122 0.000 0.954 500 V CB 1.332 33.064 31.823 -0.152 0.000 1.055 500 V HN 1.790 nan 8.190 nan 0.000 0.429 501 A N 6.940 129.733 122.820 -0.045 0.000 2.413 501 A HA 0.980 5.300 4.320 -0.000 0.000 0.307 501 A C -0.918 176.616 177.584 -0.083 0.000 1.087 501 A CA -0.817 51.175 52.037 -0.075 0.000 0.750 501 A CB 2.052 21.056 19.000 0.008 0.000 1.296 501 A HN 0.927 nan 8.150 nan 0.000 0.423 502 M N 2.028 121.505 119.600 -0.205 0.000 2.078 502 M HA 0.394 4.874 4.480 -0.000 0.000 0.320 502 M C -1.716 174.514 176.300 -0.117 0.000 0.969 502 M CA 0.004 55.170 55.300 -0.222 0.000 0.929 502 M CB 1.116 33.416 32.600 -0.500 0.000 1.504 502 M HN 0.684 nan 8.290 nan 0.000 0.419 503 Y N 0.531 120.831 120.300 0.000 0.000 2.387 503 Y HA 0.293 4.843 4.550 -0.000 0.000 0.330 503 Y C 0.266 176.241 175.900 0.126 0.000 1.133 503 Y CA -0.619 57.568 58.100 0.146 0.000 1.152 503 Y CB 0.982 39.596 38.460 0.256 0.000 1.215 503 Y HN 0.473 nan 8.280 nan 0.000 0.466 504 D N 3.015 123.641 120.400 0.376 0.000 2.411 504 D HA 0.146 4.785 4.640 -0.000 0.000 0.225 504 D C 0.052 176.464 176.300 0.186 0.000 1.156 504 D CA -0.069 54.166 54.000 0.392 0.000 0.874 504 D CB 0.664 41.809 40.800 0.574 0.000 1.034 504 D HN 0.420 nan 8.370 nan 0.000 0.502 505 M N 2.494 122.158 119.600 0.107 0.000 2.431 505 M HA 0.017 4.497 4.480 -0.000 0.000 0.237 505 M C 1.524 177.771 176.300 -0.088 0.000 1.130 505 M CA 0.086 55.373 55.300 -0.022 0.000 1.002 505 M CB -0.381 32.204 32.600 -0.025 0.000 1.524 505 M HN 0.249 nan 8.290 nan 0.000 0.482 506 T N 1.963 116.474 114.554 -0.071 0.000 2.685 506 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 506 T C -0.838 173.500 174.700 -0.604 0.000 1.034 506 T CA 1.625 63.575 62.100 -0.250 0.000 1.149 506 T CB -1.209 67.492 68.868 -0.279 0.000 0.860 506 T HN 0.253 nan 8.240 nan 0.000 0.449 507 P HA 0.105 nan 4.420 nan 0.000 0.230 507 P C 0.362 177.375 177.300 -0.478 0.000 1.158 507 P CA 0.084 62.470 63.100 -1.189 0.000 0.769 507 P CB -0.184 30.984 31.700 -0.886 0.000 0.807 508 L N 0.385 121.459 121.223 -0.248 0.000 2.584 508 L HA 0.021 4.360 4.340 -0.000 0.000 0.272 508 L C 0.560 177.420 176.870 -0.017 0.000 1.195 508 L CA -0.251 54.542 54.840 -0.078 0.000 0.920 508 L CB -0.427 41.629 42.059 -0.005 0.000 1.173 508 L HN -0.252 nan 8.230 nan 0.000 0.489 509 K N 4.974 125.389 120.400 0.025 0.000 2.491 509 K HA 0.044 4.364 4.320 -0.000 0.000 0.279 509 K C -0.432 176.194 176.600 0.043 0.000 1.026 509 K CA 0.727 57.051 56.287 0.062 0.000 1.070 509 K CB 0.190 32.734 32.500 0.073 0.000 0.887 509 K HN 0.686 nan 8.250 nan 0.000 0.481 510 R N 4.937 125.464 120.500 0.046 0.000 2.435 510 R HA 0.391 4.731 4.340 -0.000 0.000 0.308 510 R C -1.248 175.043 176.300 -0.016 0.000 0.975 510 R CA -0.423 55.685 56.100 0.012 0.000 0.867 510 R CB 0.621 30.949 30.300 0.047 0.000 1.171 510 R HN 0.587 nan 8.270 nan 0.000 0.470 511 L N 2.862 124.041 121.223 -0.073 0.000 2.341 511 L HA 0.497 4.837 4.340 -0.000 0.000 0.278 511 L C -0.271 176.529 176.870 -0.116 0.000 1.005 511 L CA -0.722 54.057 54.840 -0.102 0.000 0.818 511 L CB 2.046 43.988 42.059 -0.195 0.000 1.259 511 L HN 0.592 nan 8.230 nan 0.000 0.418 512 E N 2.860 123.015 120.200 -0.076 0.000 2.133 512 E HA 0.444 4.794 4.350 -0.000 0.000 0.274 512 E C -1.620 174.954 176.600 -0.044 0.000 0.930 512 E CA -0.605 55.763 56.400 -0.053 0.000 0.770 512 E CB 1.951 31.636 29.700 -0.025 0.000 1.104 512 E HN 0.323 nan 8.360 nan 0.000 0.403 513 V N 4.488 124.383 119.914 -0.032 0.000 2.357 513 V HA 0.348 4.468 4.120 -0.000 0.000 0.284 513 V C -0.162 175.974 176.094 0.070 0.000 1.018 513 V CA -0.414 61.872 62.300 -0.024 0.000 0.841 513 V CB 1.021 32.767 31.823 -0.127 0.000 0.991 513 V HN 0.741 nan 8.190 nan 0.000 0.437 514 S N 3.049 118.785 115.700 0.060 0.000 2.661 514 S HA 1.025 5.495 4.470 -0.000 0.000 0.285 514 S C -0.211 174.383 174.600 -0.010 0.000 1.138 514 S CA -0.231 58.006 58.200 0.062 0.000 0.855 514 S CB 2.216 65.459 63.200 0.071 0.000 1.136 514 S HN 2.119 nan 8.310 nan 0.000 0.484 515 G N 0.957 109.667 108.800 -0.149 0.000 2.515 515 G HA2 0.117 4.077 3.960 -0.000 0.000 0.686 515 G HA3 0.117 4.077 3.960 -0.000 0.000 0.686 515 G C -2.633 171.928 174.900 -0.566 0.000 1.274 515 G CA -0.277 44.445 45.100 -0.630 0.000 0.874 515 G HN 0.590 nan 8.290 nan 0.000 0.631 516 P HA 0.008 nan 4.420 nan 0.000 0.222 516 P C 1.585 178.692 177.300 -0.321 0.000 1.147 516 P CA 1.868 64.686 63.100 -0.470 0.000 0.790 516 P CB 0.016 31.415 31.700 -0.502 0.000 0.780 517 G N -0.676 107.909 108.800 -0.358 0.000 3.141 517 G HA2 0.213 4.173 3.960 -0.000 0.000 0.218 517 G HA3 0.213 4.173 3.960 -0.000 0.000 0.218 517 G C 1.508 176.330 174.900 -0.130 0.000 1.170 517 G CA 0.520 45.511 45.100 -0.181 0.000 0.769 517 G HN 0.271 nan 8.290 nan 0.000 0.546 518 A N 1.015 123.757 122.820 -0.129 0.000 1.865 518 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 518 A C 2.249 179.684 177.584 -0.249 0.000 1.191 518 A CA 1.646 53.612 52.037 -0.118 0.000 0.623 518 A CB -0.479 18.540 19.000 0.033 0.000 0.826 518 A HN 0.494 nan 8.150 nan 0.000 0.444 519 L N 0.162 121.309 121.223 -0.126 0.000 2.012 519 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 519 L C 2.342 179.118 176.870 -0.157 0.000 1.073 519 L CA 2.815 57.541 54.840 -0.190 0.000 0.748 519 L CB -0.621 41.488 42.059 0.084 0.000 0.891 519 L HN 0.511 nan 8.230 nan 0.000 0.431 520 K N -0.842 119.504 120.400 -0.090 0.000 2.032 520 K HA -0.246 4.074 4.320 -0.000 0.000 0.209 520 K C 2.194 178.753 176.600 -0.069 0.000 1.048 520 K CA 2.001 58.252 56.287 -0.060 0.000 0.927 520 K CB -0.406 32.068 32.500 -0.043 0.000 0.712 520 K HN 0.332 nan 8.250 nan 0.000 0.441 521 L N 1.627 122.798 121.223 -0.088 0.000 1.989 521 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 521 L C 2.112 178.942 176.870 -0.068 0.000 1.071 521 L CA 1.649 56.449 54.840 -0.066 0.000 0.749 521 L CB -0.400 41.626 42.059 -0.055 0.000 0.890 521 L HN 0.252 nan 8.230 nan 0.000 0.431 522 L N -1.191 119.940 121.223 -0.153 0.000 2.141 522 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 522 L C 2.634 179.442 176.870 -0.103 0.000 1.094 522 L CA 0.636 55.387 54.840 -0.149 0.000 0.763 522 L CB -0.682 41.142 42.059 -0.392 0.000 0.908 522 L HN 0.370 nan 8.230 nan 0.000 0.437 523 Q N -0.091 119.649 119.800 -0.100 0.000 2.124 523 Q HA -0.245 4.095 4.340 -0.000 0.000 0.202 523 Q C 2.053 178.062 176.000 0.015 0.000 0.977 523 Q CA 1.505 57.284 55.803 -0.039 0.000 0.850 523 Q CB -0.042 28.684 28.738 -0.021 0.000 0.901 523 Q HN 0.426 nan 8.270 nan 0.000 0.429 524 E N 0.534 120.742 120.200 0.014 0.000 2.122 524 E HA -0.016 4.333 4.350 -0.000 0.000 0.190 524 E C 1.919 178.556 176.600 0.063 0.000 0.977 524 E CA 0.574 57.006 56.400 0.052 0.000 0.820 524 E CB -0.078 29.639 29.700 0.028 0.000 0.770 524 E HN 0.265 nan 8.360 nan 0.000 0.462 525 L N 0.339 121.577 121.223 0.025 0.000 2.270 525 L HA 0.096 4.435 4.340 -0.000 0.000 0.210 525 L C 1.337 178.224 176.870 0.028 0.000 1.104 525 L CA 1.007 55.864 54.840 0.029 0.000 0.804 525 L CB -0.474 41.580 42.059 -0.008 0.000 0.937 525 L HN 0.163 nan 8.230 nan 0.000 0.450 526 T N -4.386 110.161 114.554 -0.011 0.000 2.937 526 T HA 0.235 4.585 4.350 -0.000 0.000 0.283 526 T C 0.846 175.388 174.700 -0.263 0.000 1.012 526 T CA -0.009 62.033 62.100 -0.096 0.000 0.997 526 T CB 1.619 70.435 68.868 -0.087 0.000 1.136 526 T HN 0.108 nan 8.240 nan 0.000 0.551 527 T N -2.074 112.239 114.554 -0.403 0.000 3.145 527 T HA 0.574 4.923 4.350 -0.000 0.000 0.255 527 T C 0.513 174.881 174.700 -0.553 0.000 1.039 527 T CA -0.240 61.397 62.100 -0.772 0.000 0.928 527 T CB -0.398 68.078 68.868 -0.654 0.000 1.029 527 T HN 0.958 nan 8.240 nan 0.000 0.554 528 A N 0.873 123.500 122.820 -0.321 0.000 2.337 528 A HA 0.633 4.953 4.320 -0.000 0.000 0.331 528 A C -0.679 176.837 177.584 -0.112 0.000 1.137 528 A CA -0.753 51.178 52.037 -0.177 0.000 0.807 528 A CB 1.021 19.960 19.000 -0.100 0.000 1.250 528 A HN 0.253 nan 8.150 nan 0.000 0.468 529 D N 1.634 122.004 120.400 -0.051 0.000 2.393 529 D HA 0.317 4.957 4.640 -0.000 0.000 0.232 529 D C 0.373 176.686 176.300 0.022 0.000 1.192 529 D CA 0.037 54.033 54.000 -0.006 0.000 0.882 529 D CB 0.236 41.045 40.800 0.016 0.000 1.038 529 D HN 0.371 nan 8.370 nan 0.000 0.499 530 L N 2.444 123.684 121.223 0.028 0.000 2.592 530 L HA 0.245 4.585 4.340 -0.000 0.000 0.227 530 L C 1.131 178.079 176.870 0.131 0.000 1.127 530 L CA -0.196 54.695 54.840 0.085 0.000 0.884 530 L CB 0.091 42.184 42.059 0.057 0.000 1.065 530 L HN 0.372 nan 8.230 nan 0.000 0.457 531 A N 0.690 123.560 122.820 0.084 0.000 3.004 531 A HA 0.392 4.711 4.320 -0.000 0.000 0.286 531 A C -0.043 177.581 177.584 0.066 0.000 1.632 531 A CA -0.042 52.046 52.037 0.084 0.000 1.339 531 A CB -0.362 18.672 19.000 0.057 0.000 1.136 531 A HN 0.064 nan 8.150 nan 0.000 0.577 532 K N 0.183 120.626 120.400 0.070 0.000 2.477 532 K HA 0.442 4.762 4.320 -0.000 0.000 0.255 532 K C -0.220 176.392 176.600 0.021 0.000 0.952 532 K CA -0.938 55.376 56.287 0.045 0.000 0.826 532 K CB 2.029 34.561 32.500 0.053 0.000 1.331 532 K HN 0.539 nan 8.250 nan 0.000 0.437 533 K N 1.879 122.283 120.400 0.007 0.000 2.469 533 K HA 0.159 4.479 4.320 -0.000 0.000 0.274 533 K C -2.284 174.293 176.600 -0.039 0.000 0.983 533 K CA -1.056 55.220 56.287 -0.018 0.000 0.974 533 K CB -0.179 32.312 32.500 -0.014 0.000 0.913 533 K HN 0.527 nan 8.250 nan 0.000 0.493 534 P HA 0.031 nan 4.420 nan 0.000 0.266 534 P C 0.909 178.162 177.300 -0.077 0.000 1.186 534 P CA 1.445 64.473 63.100 -0.120 0.000 0.767 534 P CB 0.323 31.937 31.700 -0.142 0.000 0.820 535 G N 0.275 109.027 108.800 -0.080 0.000 2.255 535 G HA2 -0.035 3.924 3.960 -0.000 0.000 0.196 535 G HA3 -0.035 3.924 3.960 -0.000 0.000 0.196 535 G C 0.245 175.137 174.900 -0.014 0.000 0.998 535 G CA -0.045 45.027 45.100 -0.046 0.000 0.656 535 G HN 0.820 nan 8.290 nan 0.000 0.490 536 A N 0.336 123.155 122.820 -0.002 0.000 2.331 536 A HA 0.761 5.081 4.320 -0.000 0.000 0.283 536 A C 0.206 177.818 177.584 0.048 0.000 1.142 536 A CA 0.014 52.078 52.037 0.045 0.000 0.812 536 A CB 1.266 20.306 19.000 0.066 0.000 1.074 536 A HN 1.088 nan 8.150 nan 0.000 0.497 537 V N 2.185 122.141 119.914 0.070 0.000 2.483 537 V HA 0.632 4.752 4.120 -0.000 0.000 0.295 537 V C 0.094 176.336 176.094 0.247 0.000 1.035 537 V CA -0.259 62.068 62.300 0.045 0.000 0.896 537 V CB 1.728 33.438 31.823 -0.190 0.000 0.986 537 V HN 0.944 nan 8.190 nan 0.000 0.447 538 T N 3.898 118.595 114.554 0.238 0.000 2.928 538 T HA 0.381 4.731 4.350 -0.000 0.000 0.296 538 T C -1.161 173.741 174.700 0.337 0.000 1.000 538 T CA -0.370 61.917 62.100 0.311 0.000 0.989 538 T CB 1.071 70.038 68.868 0.165 0.000 1.005 538 T HN 0.524 nan 8.240 nan 0.000 0.442 539 Y N 2.758 123.245 120.300 0.312 0.000 2.336 539 Y HA 0.598 5.147 4.550 -0.000 0.000 0.335 539 Y C 0.276 176.217 175.900 0.068 0.000 1.046 539 Y CA 0.148 58.376 58.100 0.213 0.000 1.198 539 Y CB 0.897 39.526 38.460 0.282 0.000 1.182 539 Y HN 0.694 nan 8.280 nan 0.000 0.502 540 T N 6.226 120.505 114.554 -0.458 0.000 2.802 540 T HA 0.581 4.931 4.350 -0.000 0.000 0.311 540 T C -1.556 172.858 174.700 -0.477 0.000 1.405 540 T CA -0.758 61.087 62.100 -0.426 0.000 1.016 540 T CB 0.606 69.352 68.868 -0.204 0.000 1.352 540 T HN 0.630 nan 8.240 nan 0.000 0.498 541 L N 2.401 123.390 121.223 -0.390 0.000 2.334 541 L HA 0.690 5.030 4.340 -0.000 0.000 0.270 541 L C -0.681 176.067 176.870 -0.204 0.000 1.018 541 L CA -1.180 53.480 54.840 -0.300 0.000 0.811 541 L CB 1.514 43.405 42.059 -0.280 0.000 1.271 541 L HN 0.444 nan 8.230 nan 0.000 0.443 542 L N 2.983 124.098 121.223 -0.179 0.000 2.305 542 L HA 0.560 4.900 4.340 -0.000 0.000 0.284 542 L C -0.558 176.216 176.870 -0.160 0.000 1.013 542 L CA -0.379 54.366 54.840 -0.157 0.000 0.819 542 L CB 1.490 43.420 42.059 -0.216 0.000 1.227 542 L HN 0.390 nan 8.230 nan 0.000 0.417 543 L N 1.465 122.630 121.223 -0.098 0.000 2.332 543 L HA 0.537 4.877 4.340 -0.000 0.000 0.269 543 L C -0.299 176.504 176.870 -0.111 0.000 1.016 543 L CA -1.005 53.795 54.840 -0.067 0.000 0.809 543 L CB 1.654 43.723 42.059 0.017 0.000 1.280 543 L HN 0.577 nan 8.230 nan 0.000 0.447 544 D N -2.358 117.994 120.400 -0.080 0.000 2.506 544 D HA 0.103 4.743 4.640 -0.000 0.000 0.272 544 D C 0.647 176.908 176.300 -0.065 0.000 1.214 544 D CA -0.305 53.655 54.000 -0.067 0.000 1.067 544 D CB 0.392 41.191 40.800 -0.003 0.000 1.117 544 D HN 0.433 nan 8.370 nan 0.000 0.578 545 H N -1.231 117.848 119.070 0.016 0.000 2.521 545 H HA 0.171 4.727 4.556 -0.000 0.000 0.286 545 H C 1.430 176.761 175.328 0.006 0.000 1.034 545 H CA 1.450 57.505 56.048 0.012 0.000 1.278 545 H CB 0.028 29.798 29.762 0.013 0.000 1.386 545 H HN 0.493 nan 8.280 nan 0.000 0.567 546 A N -0.324 122.553 122.820 0.096 0.000 2.251 546 A HA 0.370 4.690 4.320 -0.000 0.000 0.209 546 A C 1.988 179.601 177.584 0.049 0.000 1.187 546 A CA 0.699 52.770 52.037 0.058 0.000 0.823 546 A CB -0.378 18.643 19.000 0.036 0.000 0.846 546 A HN 0.495 nan 8.150 nan 0.000 0.486 547 G N -1.608 107.219 108.800 0.045 0.000 2.179 547 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.260 547 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.260 547 G C 0.733 175.667 174.900 0.058 0.000 0.977 547 G CA 0.298 45.436 45.100 0.064 0.000 0.641 547 G HN 1.391 nan 8.290 nan 0.000 0.533 548 G N -0.848 107.975 108.800 0.039 0.000 2.503 548 G HA2 0.552 4.512 3.960 -0.000 0.000 0.257 548 G HA3 0.552 4.512 3.960 -0.000 0.000 0.257 548 G C 0.168 175.103 174.900 0.060 0.000 1.214 548 G CA 0.171 45.298 45.100 0.045 0.000 0.839 548 G HN 0.938 nan 8.290 nan 0.000 0.559 549 V N 2.903 122.891 119.914 0.124 0.000 2.339 549 V HA 0.157 4.277 4.120 -0.000 0.000 0.261 549 V C 1.466 177.733 176.094 0.288 0.000 1.058 549 V CA -0.282 62.115 62.300 0.162 0.000 0.897 549 V CB 0.683 32.642 31.823 0.226 0.000 1.052 549 V HN 0.853 nan 8.190 nan 0.000 0.480 550 R N 2.037 122.552 120.500 0.025 0.000 2.115 550 R HA 0.088 4.428 4.340 -0.000 0.000 0.226 550 R C 0.775 176.665 176.300 -0.684 0.000 1.100 550 R CA 0.782 56.786 56.100 -0.161 0.000 0.980 550 R CB 0.218 30.264 30.300 -0.423 0.000 0.875 550 R HN 0.616 nan 8.270 nan 0.000 0.445 551 S N -2.016 113.297 115.700 -0.645 0.000 2.595 551 S HA 0.592 5.062 4.470 -0.000 0.000 0.270 551 S C -2.066 172.326 174.600 -0.347 0.000 1.145 551 S CA -0.598 57.055 58.200 -0.912 0.000 0.825 551 S CB 1.828 64.627 63.200 -0.668 0.000 1.107 551 S HN 0.194 nan 8.310 nan 0.000 0.461 552 A N 2.550 125.257 122.820 -0.188 0.000 2.359 552 A HA 0.857 5.177 4.320 -0.000 0.000 0.303 552 A C -0.521 177.050 177.584 -0.022 0.000 1.066 552 A CA -0.670 51.308 52.037 -0.100 0.000 0.730 552 A CB 0.308 19.358 19.000 0.084 0.000 1.211 552 A HN 1.188 nan 8.150 nan 0.000 0.439 553 I N -0.684 119.840 120.570 -0.077 0.000 3.264 553 I HA 0.896 5.065 4.170 -0.000 0.000 0.315 553 I C -0.202 175.968 176.117 0.089 0.000 1.154 553 I CA -0.881 60.436 61.300 0.029 0.000 0.962 553 I CB 2.424 40.431 38.000 0.013 0.000 1.265 553 I HN 0.512 nan 8.210 nan 0.000 0.463 554 T N 0.248 114.865 114.554 0.106 0.000 2.888 554 T HA 0.765 5.115 4.350 -0.000 0.000 0.284 554 T C -0.602 174.123 174.700 0.040 0.000 1.017 554 T CA -0.711 61.459 62.100 0.117 0.000 1.022 554 T CB 1.768 70.692 68.868 0.092 0.000 1.013 554 T HN 0.494 nan 8.240 nan 0.000 0.465 555 V N 1.692 121.640 119.914 0.056 0.000 2.444 555 V HA 0.745 4.864 4.120 -0.000 0.000 0.294 555 V C 0.027 176.169 176.094 0.079 0.000 1.022 555 V CA -0.976 61.358 62.300 0.056 0.000 0.850 555 V CB 1.191 33.056 31.823 0.069 0.000 0.992 555 V HN 1.294 nan 8.190 nan 0.000 0.426 556 A N 4.964 127.811 122.820 0.045 0.000 2.287 556 A HA 0.722 5.041 4.320 -0.000 0.000 0.317 556 A C -0.095 177.470 177.584 -0.032 0.000 1.220 556 A CA -0.710 51.322 52.037 -0.007 0.000 0.835 556 A CB 0.686 19.638 19.000 -0.080 0.000 1.180 556 A HN 0.827 nan 8.150 nan 0.000 0.500 557 R N 3.640 124.083 120.500 -0.095 0.000 2.205 557 R HA 0.411 4.751 4.340 -0.000 0.000 0.342 557 R C -0.216 175.877 176.300 -0.344 0.000 1.058 557 R CA -0.347 55.498 56.100 -0.424 0.000 0.904 557 R CB 0.143 30.188 30.300 -0.424 0.000 1.089 557 R HN 0.846 nan 8.270 nan 0.000 0.471 558 L N 2.111 123.115 121.223 -0.364 0.000 2.307 558 L HA 0.114 4.454 4.340 -0.000 0.000 0.211 558 L C 0.688 177.424 176.870 -0.224 0.000 1.099 558 L CA 0.400 55.103 54.840 -0.229 0.000 0.816 558 L CB 0.017 41.968 42.059 -0.180 0.000 0.952 558 L HN 0.695 nan 8.230 nan 0.000 0.455 559 S N -2.742 112.773 115.700 -0.309 0.000 2.703 559 S HA 0.166 4.636 4.470 -0.000 0.000 0.273 559 S C 0.357 174.781 174.600 -0.293 0.000 1.178 559 S CA -0.609 57.451 58.200 -0.233 0.000 0.838 559 S CB 1.704 64.811 63.200 -0.154 0.000 1.178 559 S HN -0.059 nan 8.310 nan 0.000 0.494 560 E N 0.561 120.652 120.200 -0.181 0.000 2.097 560 E HA -0.127 4.223 4.350 -0.000 0.000 0.196 560 E C 0.272 176.795 176.600 -0.130 0.000 1.000 560 E CA 2.252 58.568 56.400 -0.141 0.000 0.804 560 E CB -0.154 29.500 29.700 -0.078 0.000 0.740 560 E HN 0.610 nan 8.360 nan 0.000 0.454 561 D N -1.131 119.198 120.400 -0.118 0.000 2.501 561 D HA 0.169 4.808 4.640 -0.000 0.000 0.224 561 D C -0.859 175.430 176.300 -0.019 0.000 1.202 561 D CA 0.123 54.098 54.000 -0.042 0.000 0.829 561 D CB 0.975 41.726 40.800 -0.081 0.000 1.023 561 D HN -0.068 nan 8.370 nan 0.000 0.499 562 T N 0.396 114.848 114.554 -0.169 0.000 2.879 562 T HA 0.494 4.844 4.350 -0.000 0.000 0.290 562 T C -0.790 173.739 174.700 -0.284 0.000 0.993 562 T CA -0.446 61.592 62.100 -0.104 0.000 0.975 562 T CB 1.131 69.936 68.868 -0.104 0.000 0.981 562 T HN -0.222 nan 8.240 nan 0.000 0.439 563 F N 1.709 121.601 119.950 -0.096 0.000 2.551 563 F HA 0.538 5.065 4.527 -0.000 0.000 0.316 563 F C 0.250 175.966 175.800 -0.139 0.000 1.089 563 F CA -1.003 56.930 58.000 -0.111 0.000 0.915 563 F CB 2.203 41.135 39.000 -0.113 0.000 1.186 563 F HN 0.364 nan 8.300 nan 0.000 0.456 564 Q N 2.812 122.613 119.800 0.003 0.000 2.307 564 Q HA 0.631 4.971 4.340 -0.000 0.000 0.262 564 Q C -1.850 174.092 176.000 -0.097 0.000 0.961 564 Q CA -0.853 54.893 55.803 -0.095 0.000 0.882 564 Q CB 1.359 29.979 28.738 -0.197 0.000 1.264 564 Q HN 0.601 nan 8.270 nan 0.000 0.446 565 L N 2.639 123.781 121.223 -0.135 0.000 2.317 565 L HA 0.566 4.906 4.340 -0.000 0.000 0.281 565 L C 0.304 177.116 176.870 -0.097 0.000 1.024 565 L CA -0.107 54.649 54.840 -0.139 0.000 0.810 565 L CB 1.956 43.852 42.059 -0.272 0.000 1.240 565 L HN 0.738 nan 8.230 nan 0.000 0.427 566 G N 2.022 110.797 108.800 -0.041 0.000 2.404 566 G HA2 0.626 4.586 3.960 -0.000 0.000 0.316 566 G HA3 0.626 4.586 3.960 -0.000 0.000 0.316 566 G C -0.269 174.639 174.900 0.014 0.000 1.074 566 G CA 0.101 45.207 45.100 0.011 0.000 0.989 566 G HN 0.808 nan 8.290 nan 0.000 0.430 567 A N 2.878 125.704 122.820 0.010 0.000 2.420 567 A HA 0.659 4.978 4.320 -0.000 0.000 0.291 567 A C 0.986 178.589 177.584 0.031 0.000 1.228 567 A CA -0.844 51.206 52.037 0.022 0.000 0.933 567 A CB 0.942 19.964 19.000 0.035 0.000 1.428 567 A HN 0.483 nan 8.150 nan 0.000 0.493 568 N N -0.691 118.016 118.700 0.011 0.000 2.205 568 N HA 0.337 5.077 4.740 -0.000 0.000 0.201 568 N C 0.424 175.977 175.510 0.072 0.000 1.128 568 N CA 1.045 54.121 53.050 0.043 0.000 0.867 568 N CB 1.124 39.617 38.487 0.010 0.000 0.996 568 N HN 1.020 nan 8.380 nan 0.000 0.503 569 G N 0.527 109.363 108.800 0.059 0.000 2.350 569 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.282 569 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.282 569 G C -0.380 174.564 174.900 0.072 0.000 1.314 569 G CA -0.586 44.564 45.100 0.084 0.000 0.915 569 G HN -0.039 nan 8.290 nan 0.000 0.499 570 N N -0.491 118.254 118.700 0.074 0.000 2.463 570 N HA 0.134 4.874 4.740 -0.000 0.000 0.181 570 N C 2.276 177.825 175.510 0.064 0.000 1.078 570 N CA 0.496 53.592 53.050 0.076 0.000 0.902 570 N CB -0.151 38.383 38.487 0.079 0.000 0.970 570 N HN 0.490 nan 8.380 nan 0.000 0.451 571 I N 0.375 120.967 120.570 0.037 0.000 2.179 571 I HA -0.243 3.926 4.170 -0.000 0.000 0.242 571 I C 1.530 177.657 176.117 0.017 0.000 1.088 571 I CA 1.025 62.333 61.300 0.015 0.000 1.357 571 I CB -0.137 37.850 38.000 -0.022 0.000 1.051 571 I HN -0.005 nan 8.210 nan 0.000 0.409 572 D N 0.687 121.089 120.400 0.003 0.000 2.092 572 D HA -0.165 4.475 4.640 -0.000 0.000 0.193 572 D C 2.227 178.702 176.300 0.291 0.000 0.994 572 D CA 1.861 55.935 54.000 0.123 0.000 0.828 572 D CB -0.557 40.331 40.800 0.147 0.000 0.963 572 D HN 0.259 nan 8.370 nan 0.000 0.450 573 T N 0.779 115.456 114.554 0.205 0.000 2.635 573 T HA -0.192 4.157 4.350 -0.000 0.000 0.267 573 T C 1.990 176.790 174.700 0.167 0.000 1.040 573 T CA 1.954 64.168 62.100 0.190 0.000 1.156 573 T CB -0.419 68.517 68.868 0.112 0.000 0.863 573 T HN 0.236 nan 8.240 nan 0.000 0.430 574 A N 0.204 123.095 122.820 0.119 0.000 1.969 574 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 574 A C 2.095 179.720 177.584 0.068 0.000 1.169 574 A CA 1.370 53.453 52.037 0.077 0.000 0.635 574 A CB -0.916 18.123 19.000 0.066 0.000 0.810 574 A HN 0.580 nan 8.150 nan 0.000 0.445 575 Y N -0.430 119.832 120.300 -0.064 0.000 2.145 575 Y HA -0.207 4.343 4.550 -0.000 0.000 0.286 575 Y C 1.895 177.659 175.900 -0.227 0.000 1.145 575 Y CA 1.756 59.747 58.100 -0.183 0.000 1.148 575 Y CB -0.606 37.671 38.460 -0.305 0.000 0.981 575 Y HN 0.293 nan 8.280 nan 0.000 0.507 576 F N 0.608 120.488 119.950 -0.116 0.000 2.134 576 F HA -0.164 4.363 4.527 -0.000 0.000 0.299 576 F C 2.388 178.081 175.800 -0.178 0.000 1.097 576 F CA 1.796 59.676 58.000 -0.200 0.000 1.264 576 F CB -0.465 38.485 39.000 -0.084 0.000 1.001 576 F HN 0.069 nan 8.300 nan 0.000 0.479 577 E N 0.031 120.268 120.200 0.062 0.000 2.038 577 E HA -0.291 4.059 4.350 -0.000 0.000 0.195 577 E C 2.279 178.817 176.600 -0.104 0.000 1.000 577 E CA 1.499 57.897 56.400 -0.003 0.000 0.803 577 E CB -0.252 29.452 29.700 0.007 0.000 0.750 577 E HN 0.293 nan 8.360 nan 0.000 0.448 578 R N 0.576 120.968 120.500 -0.181 0.000 2.081 578 R HA -0.123 4.216 4.340 -0.000 0.000 0.235 578 R C 2.229 178.253 176.300 -0.460 0.000 1.131 578 R CA 1.368 57.258 56.100 -0.350 0.000 0.960 578 R CB -0.215 29.884 30.300 -0.335 0.000 0.856 578 R HN 0.150 nan 8.270 nan 0.000 0.436 579 A N 0.693 123.287 122.820 -0.377 0.000 1.933 579 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 579 A C 2.357 179.861 177.584 -0.134 0.000 1.175 579 A CA 1.561 53.419 52.037 -0.298 0.000 0.628 579 A CB -0.730 17.993 19.000 -0.462 0.000 0.814 579 A HN 0.557 nan 8.150 nan 0.000 0.444 580 A N -0.303 122.462 122.820 -0.092 0.000 1.898 580 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 580 A C 2.244 179.836 177.584 0.014 0.000 1.181 580 A CA 1.678 53.710 52.037 -0.008 0.000 0.620 580 A CB -0.485 18.531 19.000 0.027 0.000 0.819 580 A HN 0.548 nan 8.150 nan 0.000 0.442 581 R N -1.088 119.392 120.500 -0.033 0.000 2.081 581 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 581 R C 2.027 178.384 176.300 0.095 0.000 1.131 581 R CA 1.895 57.998 56.100 0.005 0.000 0.960 581 R CB -0.457 29.812 30.300 -0.052 0.000 0.856 581 R HN 0.797 nan 8.270 nan 0.000 0.436 582 H N -0.788 118.281 119.070 -0.002 0.000 2.357 582 H HA -0.134 4.422 4.556 -0.000 0.000 0.301 582 H C 2.253 177.587 175.328 0.010 0.000 1.082 582 H CA 1.336 57.384 56.048 0.001 0.000 1.342 582 H CB 0.113 29.869 29.762 -0.011 0.000 1.389 582 H HN 0.362 nan 8.280 nan 0.000 0.511 583 Q N 0.537 120.417 119.800 0.133 0.000 2.050 583 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 583 Q C 1.950 178.004 176.000 0.090 0.000 0.980 583 Q CA 2.054 57.907 55.803 0.083 0.000 0.840 583 Q CB 0.089 28.855 28.738 0.046 0.000 0.898 583 Q HN 0.352 nan 8.270 nan 0.000 0.424 584 T N 0.968 115.588 114.554 0.109 0.000 2.652 584 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 584 T C 1.744 176.511 174.700 0.111 0.000 1.039 584 T CA 1.738 63.921 62.100 0.139 0.000 1.153 584 T CB -0.262 68.701 68.868 0.158 0.000 0.863 584 T HN 0.415 nan 8.240 nan 0.000 0.428 585 Q N 0.782 120.640 119.800 0.097 0.000 2.135 585 Q HA -0.088 4.252 4.340 -0.000 0.000 0.204 585 Q C 2.427 178.461 176.000 0.056 0.000 0.981 585 Q CA 1.664 57.511 55.803 0.073 0.000 0.856 585 Q CB -0.115 28.671 28.738 0.081 0.000 0.902 585 Q HN 0.637 nan 8.270 nan 0.000 0.425 586 S N -1.377 114.357 115.700 0.056 0.000 2.540 586 S HA 0.245 4.715 4.470 -0.000 0.000 0.218 586 S C 0.671 175.295 174.600 0.040 0.000 0.977 586 S CA -0.182 58.039 58.200 0.035 0.000 0.918 586 S CB 0.824 64.035 63.200 0.018 0.000 0.806 586 S HN 0.264 nan 8.310 nan 0.000 0.496 587 G N 1.558 110.392 108.800 0.057 0.000 2.642 587 G HA2 0.568 4.528 3.960 -0.000 0.000 0.291 587 G HA3 0.568 4.528 3.960 -0.000 0.000 0.291 587 G C -0.020 174.921 174.900 0.068 0.000 1.345 587 G CA -0.189 44.946 45.100 0.057 0.000 1.043 587 G HN 0.495 nan 8.290 nan 0.000 0.528 588 S N -1.336 114.403 115.700 0.066 0.000 2.646 588 S HA 0.488 4.958 4.470 -0.000 0.000 0.273 588 S C 1.719 176.395 174.600 0.126 0.000 1.168 588 S CA 0.375 58.620 58.200 0.075 0.000 1.013 588 S CB 1.002 64.234 63.200 0.052 0.000 1.098 588 S HN 1.303 nan 8.310 nan 0.000 0.544 589 A N 0.162 123.060 122.820 0.130 0.000 2.216 589 A HA 0.111 4.431 4.320 -0.000 0.000 0.214 589 A C 1.893 179.615 177.584 0.230 0.000 1.160 589 A CA 1.388 53.553 52.037 0.213 0.000 0.725 589 A CB -1.309 17.781 19.000 0.150 0.000 0.784 589 A HN 1.107 nan 8.150 nan 0.000 0.472 590 T N -5.264 109.344 114.554 0.090 0.000 3.084 590 T HA 0.180 4.530 4.350 -0.000 0.000 0.270 590 T C 0.254 174.889 174.700 -0.108 0.000 1.008 590 T CA 0.361 62.440 62.100 -0.034 0.000 0.900 590 T CB 0.158 69.012 68.868 -0.023 0.000 1.084 590 T HN 0.149 nan 8.240 nan 0.000 0.538 591 D N 1.162 121.546 120.400 -0.028 0.000 2.369 591 D HA 0.145 4.785 4.640 -0.000 0.000 0.211 591 D C 0.766 177.062 176.300 -0.007 0.000 1.077 591 D CA -0.381 53.600 54.000 -0.031 0.000 0.842 591 D CB -0.002 40.816 40.800 0.030 0.000 0.947 591 D HN 0.692 nan 8.370 nan 0.000 0.509 592 W N 1.644 122.953 121.300 0.015 0.000 2.158 592 W HA 0.419 5.078 4.660 -0.000 0.000 0.339 592 W C -0.521 176.006 176.519 0.014 0.000 1.294 592 W CA -0.592 56.761 57.345 0.013 0.000 1.231 592 W CB 0.420 29.887 29.460 0.012 0.000 1.143 592 W HN -0.293 nan 8.180 nan 0.000 0.571 593 V N 3.635 123.738 119.914 0.315 0.000 2.891 593 V HA 0.319 4.438 4.120 -0.000 0.000 0.304 593 V C -1.153 175.081 176.094 0.232 0.000 1.171 593 V CA -0.649 61.750 62.300 0.165 0.000 0.943 593 V CB 2.229 34.059 31.823 0.012 0.000 1.037 593 V HN 0.797 nan 8.190 nan 0.000 0.427 594 Q N 3.503 123.435 119.800 0.221 0.000 2.342 594 Q HA 0.763 5.103 4.340 -0.000 0.000 0.267 594 Q C -1.503 174.547 176.000 0.083 0.000 1.038 594 Q CA -0.806 55.094 55.803 0.163 0.000 0.832 594 Q CB 2.712 31.570 28.738 0.200 0.000 1.323 594 Q HN 0.675 nan 8.270 nan 0.000 0.448 595 V N 2.978 122.925 119.914 0.054 0.000 2.487 595 V HA 0.494 4.614 4.120 -0.000 0.000 0.298 595 V C -0.558 175.548 176.094 0.020 0.000 1.028 595 V CA -0.658 61.654 62.300 0.020 0.000 0.860 595 V CB 1.709 33.551 31.823 0.030 0.000 0.991 595 V HN 0.657 nan 8.190 nan 0.000 0.427 596 R N 2.279 122.782 120.500 0.006 0.000 2.599 596 R HA 0.420 4.760 4.340 -0.000 0.000 0.295 596 R C -1.174 175.129 176.300 0.005 0.000 0.963 596 R CA -0.873 55.234 56.100 0.011 0.000 0.883 596 R CB 2.194 32.503 30.300 0.015 0.000 1.171 596 R HN 0.659 nan 8.270 nan 0.000 0.450 597 D N 2.065 122.477 120.400 0.021 0.000 2.393 597 D HA 0.017 4.657 4.640 -0.000 0.000 0.232 597 D C 0.668 176.994 176.300 0.043 0.000 1.192 597 D CA 0.008 54.029 54.000 0.034 0.000 0.882 597 D CB 1.105 41.935 40.800 0.051 0.000 1.038 597 D HN 0.622 nan 8.370 nan 0.000 0.499 598 T N -0.459 114.120 114.554 0.041 0.000 3.086 598 T HA 0.002 4.352 4.350 -0.000 0.000 0.250 598 T C 1.597 176.352 174.700 0.091 0.000 1.074 598 T CA -0.013 62.118 62.100 0.051 0.000 0.988 598 T CB -0.051 68.835 68.868 0.029 0.000 0.988 598 T HN 0.213 nan 8.240 nan 0.000 0.530 599 T N 2.180 116.809 114.554 0.125 0.000 2.653 599 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 599 T C 2.244 177.117 174.700 0.289 0.000 1.035 599 T CA 1.850 64.067 62.100 0.195 0.000 1.154 599 T CB -1.030 68.000 68.868 0.270 0.000 0.862 599 T HN 0.618 nan 8.240 nan 0.000 0.441 600 G N 0.318 109.278 108.800 0.267 0.000 2.509 600 G HA2 0.108 4.068 3.960 -0.000 0.000 0.218 600 G HA3 0.108 4.068 3.960 -0.000 0.000 0.218 600 G C 1.421 176.400 174.900 0.133 0.000 1.124 600 G CA 0.731 45.964 45.100 0.221 0.000 0.776 600 G HN 0.610 nan 8.290 nan 0.000 0.547 601 G N -0.487 108.374 108.800 0.101 0.000 3.088 601 G HA2 0.380 4.340 3.960 -0.000 0.000 0.217 601 G HA3 0.380 4.340 3.960 -0.000 0.000 0.217 601 G C 0.631 175.570 174.900 0.065 0.000 1.159 601 G CA 0.918 46.055 45.100 0.062 0.000 0.760 601 G HN 0.625 nan 8.290 nan 0.000 0.550 602 T N -2.505 112.104 114.554 0.091 0.000 2.831 602 T HA 0.617 4.967 4.350 -0.000 0.000 0.287 602 T C -0.360 174.384 174.700 0.073 0.000 1.070 602 T CA -0.419 61.736 62.100 0.092 0.000 1.010 602 T CB 1.924 70.865 68.868 0.121 0.000 1.264 602 T HN 0.613 nan 8.240 nan 0.000 0.532 603 C N -0.935 118.417 119.300 0.087 0.000 3.323 603 C HA 0.948 5.407 4.460 -0.000 0.000 0.324 603 C C -0.628 174.443 174.990 0.134 0.000 1.428 603 C CA -1.024 58.018 59.018 0.041 0.000 1.368 603 C CB 0.987 28.635 27.740 -0.154 0.000 1.731 603 C HN 1.387 nan 8.230 nan 0.000 0.455 604 C N 1.434 120.818 119.300 0.140 0.000 2.811 604 C HA 0.744 5.204 4.460 -0.000 0.000 0.352 604 C C -1.212 173.818 174.990 0.065 0.000 1.098 604 C CA -0.257 58.711 59.018 -0.082 0.000 1.295 604 C CB 0.096 27.547 27.740 -0.482 0.000 1.758 604 C HN 0.912 nan 8.230 nan 0.000 0.488 605 I N 4.698 125.225 120.570 -0.072 0.000 2.378 605 I HA 0.468 4.638 4.170 -0.000 0.000 0.291 605 I C 0.935 176.842 176.117 -0.351 0.000 0.992 605 I CA -0.095 61.117 61.300 -0.148 0.000 1.154 605 I CB 1.747 39.617 38.000 -0.216 0.000 1.315 605 I HN 0.881 nan 8.210 nan 0.000 0.448 606 G N 6.761 115.261 108.800 -0.500 0.000 2.356 606 G HA2 0.448 4.408 3.960 -0.000 0.000 0.300 606 G HA3 0.448 4.408 3.960 -0.000 0.000 0.300 606 G C -0.875 173.348 174.900 -1.127 0.000 1.107 606 G CA -0.287 44.007 45.100 -1.343 0.000 0.960 606 G HN 0.430 nan 8.290 nan 0.000 0.418 607 L N 4.556 125.212 121.223 -0.946 0.000 2.272 607 L HA 0.654 4.994 4.340 -0.000 0.000 0.284 607 L C -1.218 175.419 176.870 -0.389 0.000 1.045 607 L CA -1.115 53.455 54.840 -0.450 0.000 0.842 607 L CB -0.050 41.899 42.059 -0.184 0.000 1.224 607 L HN 0.446 nan 8.230 nan 0.000 0.430 608 W N 4.587 125.912 121.300 0.042 0.000 3.032 608 W HA 0.795 5.455 4.660 -0.000 0.000 0.335 608 W C 0.230 176.729 176.519 -0.034 0.000 1.154 608 W CA -0.671 56.660 57.345 -0.024 0.000 1.204 608 W CB 1.996 31.475 29.460 0.032 0.000 1.416 608 W HN 0.780 nan 8.180 nan 0.000 0.521 609 G N 2.187 111.077 108.800 0.149 0.000 2.339 609 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.381 609 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.381 609 G C -2.417 172.467 174.900 -0.026 0.000 1.400 609 G CA -0.824 44.304 45.100 0.047 0.000 1.002 609 G HN 0.086 nan 8.290 nan 0.000 0.633 610 P HA 0.016 nan 4.420 nan 0.000 0.222 610 P C 1.566 178.818 177.300 -0.080 0.000 1.147 610 P CA 0.857 63.932 63.100 -0.041 0.000 0.790 610 P CB 0.149 31.841 31.700 -0.014 0.000 0.780 611 L N -1.397 119.755 121.223 -0.119 0.000 2.629 611 L HA 0.247 4.587 4.340 -0.000 0.000 0.230 611 L C 2.347 179.041 176.870 -0.292 0.000 1.151 611 L CA 0.026 54.731 54.840 -0.225 0.000 0.924 611 L CB -0.730 41.187 42.059 -0.237 0.000 1.137 611 L HN -0.106 nan 8.230 nan 0.000 0.457 612 A N 0.814 123.535 122.820 -0.165 0.000 1.908 612 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 612 A C 2.467 180.074 177.584 0.038 0.000 1.181 612 A CA 1.476 53.461 52.037 -0.087 0.000 0.627 612 A CB -0.305 18.619 19.000 -0.128 0.000 0.818 612 A HN 0.364 nan 8.150 nan 0.000 0.445 613 R N -0.534 120.015 120.500 0.081 0.000 2.075 613 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 613 R C 1.634 177.857 176.300 -0.129 0.000 1.126 613 R CA 1.404 57.583 56.100 0.132 0.000 0.963 613 R CB -0.467 29.936 30.300 0.172 0.000 0.858 613 R HN 0.515 nan 8.270 nan 0.000 0.435 614 D N 1.059 121.277 120.400 -0.303 0.000 2.123 614 D HA -0.184 4.456 4.640 -0.000 0.000 0.196 614 D C 1.909 177.819 176.300 -0.650 0.000 0.992 614 D CA 0.905 54.598 54.000 -0.513 0.000 0.833 614 D CB -0.161 40.126 40.800 -0.854 0.000 0.954 614 D HN 0.169 nan 8.370 nan 0.000 0.455 615 L N 0.316 121.098 121.223 -0.735 0.000 1.988 615 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 615 L C 2.399 179.120 176.870 -0.247 0.000 1.071 615 L CA 1.007 55.587 54.840 -0.434 0.000 0.744 615 L CB -0.259 41.597 42.059 -0.340 0.000 0.893 615 L HN -0.130 nan 8.230 nan 0.000 0.433 616 V N -0.230 119.501 119.914 -0.306 0.000 2.626 616 V HA -0.220 3.900 4.120 -0.000 0.000 0.252 616 V C 2.685 178.565 176.094 -0.357 0.000 1.067 616 V CA 1.873 63.911 62.300 -0.437 0.000 1.081 616 V CB -0.110 31.182 31.823 -0.884 0.000 0.686 616 V HN 0.816 nan 8.190 nan 0.000 0.468 617 S N -0.751 114.804 115.700 -0.242 0.000 2.474 617 S HA -0.146 4.323 4.470 -0.000 0.000 0.235 617 S C 1.907 176.480 174.600 -0.045 0.000 0.997 617 S CA 1.186 59.329 58.200 -0.096 0.000 0.949 617 S CB -0.364 62.813 63.200 -0.038 0.000 0.766 617 S HN 0.519 nan 8.310 nan 0.000 0.517 618 K N 0.966 121.339 120.400 -0.045 0.000 2.365 618 K HA 0.157 4.477 4.320 -0.000 0.000 0.199 618 K C 1.607 178.193 176.600 -0.023 0.000 1.045 618 K CA 0.920 57.205 56.287 -0.004 0.000 0.962 618 K CB -0.289 32.239 32.500 0.047 0.000 0.759 618 K HN 0.763 nan 8.250 nan 0.000 0.469 619 V N -3.272 116.608 119.914 -0.055 0.000 3.166 619 V HA 0.478 4.598 4.120 -0.000 0.000 0.332 619 V C -0.036 176.039 176.094 -0.030 0.000 1.434 619 V CA -0.449 61.824 62.300 -0.045 0.000 1.121 619 V CB 0.579 32.365 31.823 -0.062 0.000 1.062 619 V HN 0.144 nan 8.190 nan 0.000 0.489 620 S N -0.023 115.670 115.700 -0.011 0.000 2.533 620 S HA 0.527 4.997 4.470 -0.000 0.000 0.271 620 S C -0.614 174.023 174.600 0.062 0.000 1.143 620 S CA -0.315 57.915 58.200 0.051 0.000 0.891 620 S CB 2.209 65.505 63.200 0.159 0.000 1.105 620 S HN 0.279 nan 8.310 nan 0.000 0.468 621 D N 1.642 122.071 120.400 0.048 0.000 2.349 621 D HA 0.167 4.807 4.640 -0.000 0.000 0.214 621 D C -0.175 176.134 176.300 0.016 0.000 1.063 621 D CA 0.231 54.248 54.000 0.030 0.000 0.847 621 D CB 0.177 40.983 40.800 0.010 0.000 0.933 621 D HN 0.573 nan 8.370 nan 0.000 0.513 622 D N 1.018 121.429 120.400 0.019 0.000 2.357 622 D HA -0.008 4.631 4.640 -0.000 0.000 0.242 622 D C 0.064 176.277 176.300 -0.145 0.000 1.153 622 D CA 0.126 54.051 54.000 -0.124 0.000 0.918 622 D CB 1.249 41.878 40.800 -0.284 0.000 1.181 622 D HN -0.092 nan 8.370 nan 0.000 0.435 623 D N 0.599 120.857 120.400 -0.237 0.000 2.339 623 D HA 0.057 4.697 4.640 -0.000 0.000 0.241 623 D C -0.324 175.789 176.300 -0.312 0.000 1.183 623 D CA -0.258 53.647 54.000 -0.157 0.000 0.859 623 D CB 0.116 40.852 40.800 -0.105 0.000 1.067 623 D HN 0.200 nan 8.370 nan 0.000 0.484 624 F N 1.219 121.109 119.950 -0.100 0.000 2.653 624 F HA 0.069 4.595 4.527 -0.000 0.000 0.304 624 F C 1.571 177.434 175.800 0.105 0.000 1.092 624 F CA -0.355 57.575 58.000 -0.117 0.000 1.279 624 F CB 0.213 38.993 39.000 -0.367 0.000 1.044 624 F HN 0.220 nan 8.300 nan 0.000 0.564 625 T N -2.739 111.932 114.554 0.196 0.000 2.701 625 T HA -0.027 4.322 4.350 -0.000 0.000 0.303 625 T C 1.300 176.109 174.700 0.182 0.000 1.030 625 T CA -0.151 62.059 62.100 0.183 0.000 1.010 625 T CB 0.606 69.538 68.868 0.108 0.000 1.007 625 T HN 0.163 nan 8.240 nan 0.000 0.532 626 N N 0.463 119.259 118.700 0.160 0.000 2.149 626 N HA -0.151 4.589 4.740 -0.000 0.000 0.188 626 N C 1.384 176.959 175.510 0.110 0.000 1.019 626 N CA 1.741 54.879 53.050 0.147 0.000 0.857 626 N CB -0.388 38.167 38.487 0.112 0.000 0.997 626 N HN 0.611 nan 8.380 nan 0.000 0.426 627 D N -1.047 119.400 120.400 0.078 0.000 2.144 627 D HA -0.045 4.595 4.640 -0.000 0.000 0.200 627 D C 1.784 178.105 176.300 0.035 0.000 0.978 627 D CA 1.280 55.311 54.000 0.051 0.000 0.833 627 D CB -0.666 40.155 40.800 0.036 0.000 0.961 627 D HN 0.474 nan 8.370 nan 0.000 0.470 628 G N -0.343 108.472 108.800 0.026 0.000 2.464 628 G HA2 0.063 4.023 3.960 -0.000 0.000 0.217 628 G HA3 0.063 4.023 3.960 -0.000 0.000 0.217 628 G C 0.433 175.310 174.900 -0.038 0.000 1.138 628 G CA 0.197 45.278 45.100 -0.031 0.000 0.793 628 G HN 0.226 nan 8.290 nan 0.000 0.539 629 L N 0.278 121.528 121.223 0.045 0.000 2.676 629 L HA 0.417 4.757 4.340 -0.000 0.000 0.262 629 L C -0.687 176.303 176.870 0.200 0.000 0.965 629 L CA -0.709 54.186 54.840 0.092 0.000 0.920 629 L CB 1.291 43.383 42.059 0.054 0.000 1.260 629 L HN -0.090 nan 8.230 nan 0.000 0.422 630 K N 2.884 123.387 120.400 0.170 0.000 2.126 630 K HA 0.247 4.567 4.320 -0.000 0.000 0.257 630 K C -0.744 176.027 176.600 0.285 0.000 1.007 630 K CA -0.739 55.675 56.287 0.212 0.000 0.928 630 K CB 0.686 33.285 32.500 0.165 0.000 1.013 630 K HN 0.479 nan 8.250 nan 0.000 0.473 631 Y N 1.258 121.665 120.300 0.178 0.000 2.904 631 Y HA -0.191 4.359 4.550 -0.000 0.000 0.336 631 Y C 0.121 176.224 175.900 0.338 0.000 1.263 631 Y CA 0.720 58.960 58.100 0.233 0.000 1.547 631 Y CB -0.165 38.404 38.460 0.182 0.000 1.272 631 Y HN 0.601 nan 8.280 nan 0.000 0.596 632 F N 3.018 122.709 119.950 -0.432 0.000 3.074 632 F HA -0.297 4.230 4.527 -0.000 0.000 0.289 632 F C 0.126 175.889 175.800 -0.062 0.000 0.863 632 F CA 0.765 58.588 58.000 -0.296 0.000 1.121 632 F CB -0.955 37.844 39.000 -0.335 0.000 1.169 632 F HN 0.462 nan 8.300 nan 0.000 0.570 633 R N 0.021 120.560 120.500 0.064 0.000 2.873 633 R HA 0.938 5.278 4.340 -0.000 0.000 0.264 633 R C -0.114 176.212 176.300 0.044 0.000 1.026 633 R CA -0.300 55.836 56.100 0.060 0.000 1.002 633 R CB 1.788 32.139 30.300 0.085 0.000 1.174 633 R HN 0.065 nan 8.270 nan 0.000 0.488 634 A N 1.184 124.015 122.820 0.018 0.000 2.401 634 A HA 0.738 5.058 4.320 -0.000 0.000 0.310 634 A C -0.852 176.722 177.584 -0.018 0.000 1.075 634 A CA -0.671 51.374 52.037 0.013 0.000 0.746 634 A CB 1.636 20.627 19.000 -0.014 0.000 1.277 634 A HN 0.755 nan 8.150 nan 0.000 0.425 635 K N 0.911 121.291 120.400 -0.033 0.000 2.578 635 K HA 0.423 4.743 4.320 -0.000 0.000 0.287 635 K C -1.556 175.002 176.600 -0.070 0.000 1.010 635 K CA -1.010 55.237 56.287 -0.068 0.000 0.889 635 K CB 0.944 33.383 32.500 -0.103 0.000 1.514 635 K HN 0.439 nan 8.250 nan 0.000 0.424 636 N N 0.797 119.454 118.700 -0.072 0.000 2.499 636 N HA 0.394 5.134 4.740 -0.000 0.000 0.281 636 N C -0.445 175.014 175.510 -0.085 0.000 1.098 636 N CA -0.308 52.709 53.050 -0.054 0.000 0.979 636 N CB 1.574 40.036 38.487 -0.043 0.000 1.121 636 N HN 0.543 nan 8.380 nan 0.000 0.466 637 V N -1.360 118.519 119.914 -0.060 0.000 3.156 637 V HA 0.698 4.817 4.120 -0.000 0.000 0.310 637 V C -0.547 175.544 176.094 -0.006 0.000 1.234 637 V CA -0.869 61.388 62.300 -0.073 0.000 1.065 637 V CB 1.843 33.600 31.823 -0.110 0.000 1.088 637 V HN 0.186 nan 8.190 nan 0.000 0.451 638 V N 1.665 121.585 119.914 0.011 0.000 2.487 638 V HA 0.610 4.729 4.120 -0.000 0.000 0.298 638 V C -0.571 175.551 176.094 0.047 0.000 1.028 638 V CA -0.223 62.093 62.300 0.027 0.000 0.860 638 V CB 1.396 33.227 31.823 0.013 0.000 0.991 638 V HN 0.753 nan 8.190 nan 0.000 0.427 639 I N 3.422 124.015 120.570 0.038 0.000 2.447 639 I HA 0.571 4.741 4.170 -0.000 0.000 0.287 639 I C 1.017 177.140 176.117 0.010 0.000 1.023 639 I CA -0.390 60.919 61.300 0.015 0.000 1.083 639 I CB 1.857 39.849 38.000 -0.013 0.000 1.245 639 I HN 0.844 nan 8.210 nan 0.000 0.434 640 G N 4.204 113.005 108.800 0.002 0.000 2.258 640 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.274 640 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.274 640 G C 1.004 175.918 174.900 0.024 0.000 1.021 640 G CA 0.655 45.762 45.100 0.011 0.000 0.798 640 G HN 1.558 nan 8.290 nan 0.000 0.507 641 G N -1.952 106.861 108.800 0.022 0.000 2.176 641 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.253 641 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.253 641 G C 0.240 175.157 174.900 0.030 0.000 0.979 641 G CA 0.448 45.562 45.100 0.024 0.000 0.641 641 G HN 1.162 nan 8.290 nan 0.000 0.530 642 I N 1.547 122.139 120.570 0.036 0.000 2.354 642 I HA 0.361 4.530 4.170 -0.000 0.000 0.292 642 I C -2.218 173.924 176.117 0.043 0.000 0.989 642 I CA -3.133 58.194 61.300 0.045 0.000 1.188 642 I CB 1.290 39.327 38.000 0.063 0.000 1.342 642 I HN -0.188 nan 8.210 nan 0.000 0.457 643 P HA 0.208 nan 4.420 nan 0.000 0.271 643 P C -0.636 176.695 177.300 0.053 0.000 1.220 643 P CA 0.050 63.171 63.100 0.035 0.000 0.768 643 P CB 0.823 32.539 31.700 0.027 0.000 0.848 644 V N 3.538 123.484 119.914 0.054 0.000 2.841 644 V HA 0.341 4.461 4.120 -0.000 0.000 0.310 644 V C -0.078 176.062 176.094 0.078 0.000 1.090 644 V CA -0.482 61.868 62.300 0.083 0.000 0.930 644 V CB 2.608 34.481 31.823 0.084 0.000 1.014 644 V HN 0.365 nan 8.190 nan 0.000 0.425 645 T N 3.956 118.583 114.554 0.122 0.000 2.728 645 T HA 0.608 4.958 4.350 -0.000 0.000 0.296 645 T C 0.109 174.929 174.700 0.200 0.000 0.940 645 T CA -0.093 62.075 62.100 0.114 0.000 1.013 645 T CB 1.059 69.975 68.868 0.080 0.000 0.912 645 T HN 0.913 nan 8.240 nan 0.000 0.484 646 A N 5.229 128.128 122.820 0.131 0.000 2.290 646 A HA 0.772 5.092 4.320 -0.000 0.000 0.310 646 A C -0.012 177.698 177.584 0.210 0.000 1.202 646 A CA -0.760 51.386 52.037 0.180 0.000 0.837 646 A CB 0.323 19.378 19.000 0.091 0.000 1.139 646 A HN 0.839 nan 8.150 nan 0.000 0.509 647 M N 2.519 122.305 119.600 0.309 0.000 2.253 647 M HA 0.399 4.878 4.480 -0.000 0.000 0.314 647 M C -0.001 176.491 176.300 0.321 0.000 1.019 647 M CA -0.347 55.096 55.300 0.238 0.000 0.932 647 M CB 2.179 34.884 32.600 0.175 0.000 1.606 647 M HN 0.774 nan 8.290 nan 0.000 0.430 648 R N 5.374 126.040 120.500 0.278 0.000 2.308 648 R HA 0.633 4.973 4.340 -0.000 0.000 0.325 648 R C -1.399 174.885 176.300 -0.028 0.000 1.161 648 R CA -0.032 56.233 56.100 0.276 0.000 1.022 648 R CB 0.057 30.582 30.300 0.375 0.000 1.091 648 R HN 0.819 nan 8.270 nan 0.000 0.497 649 L N -0.660 120.588 121.223 0.042 0.000 2.940 649 L HA 0.608 4.947 4.340 -0.000 0.000 0.270 649 L C -1.530 175.448 176.870 0.180 0.000 1.030 649 L CA -0.992 53.837 54.840 -0.017 0.000 0.928 649 L CB 2.130 43.897 42.059 -0.487 0.000 1.506 649 L HN 0.314 nan 8.230 nan 0.000 0.405 650 S N -0.475 115.218 115.700 -0.011 0.000 2.614 650 S HA 0.316 4.786 4.470 -0.000 0.000 0.259 650 S C -0.405 173.913 174.600 -0.470 0.000 1.118 650 S CA -0.476 57.369 58.200 -0.591 0.000 1.065 650 S CB 0.717 63.437 63.200 -0.800 0.000 1.121 650 S HN 0.755 nan 8.310 nan 0.000 0.458 651 Y N 4.698 124.587 120.300 -0.684 0.000 2.569 651 Y HA 0.001 4.551 4.550 -0.000 0.000 0.293 651 Y C 1.798 177.412 175.900 -0.476 0.000 1.144 651 Y CA 1.971 59.803 58.100 -0.446 0.000 1.321 651 Y CB 0.239 38.514 38.460 -0.308 0.000 0.982 651 Y HN 0.640 nan 8.280 nan 0.000 0.558 652 V N -3.639 115.805 119.914 -0.783 0.000 3.647 652 V HA 0.464 4.583 4.120 -0.000 0.000 0.279 652 V C 1.465 177.346 176.094 -0.356 0.000 1.314 652 V CA 0.658 62.586 62.300 -0.620 0.000 1.125 652 V CB -0.303 31.168 31.823 -0.587 0.000 0.907 652 V HN 0.390 nan 8.190 nan 0.000 0.434 653 G N -0.028 108.628 108.800 -0.241 0.000 2.137 653 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.237 653 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.237 653 G C -0.165 174.722 174.900 -0.022 0.000 1.002 653 G CA 0.361 45.430 45.100 -0.052 0.000 0.702 653 G HN 0.604 nan 8.290 nan 0.000 0.515 654 E N -1.137 118.987 120.200 -0.125 0.000 2.339 654 E HA 0.627 4.977 4.350 -0.000 0.000 0.262 654 E C 0.295 176.863 176.600 -0.052 0.000 0.934 654 E CA -1.243 55.135 56.400 -0.036 0.000 0.802 654 E CB 1.655 31.367 29.700 0.021 0.000 1.275 654 E HN 0.357 nan 8.360 nan 0.000 0.427 655 L N 0.694 121.886 121.223 -0.052 0.000 2.506 655 L HA 0.353 4.693 4.340 -0.000 0.000 0.281 655 L C 0.519 177.261 176.870 -0.213 0.000 1.228 655 L CA 1.684 56.437 54.840 -0.144 0.000 0.850 655 L CB -0.075 41.895 42.059 -0.148 0.000 1.110 655 L HN 0.698 nan 8.230 nan 0.000 0.496 656 G N 2.361 110.780 108.800 -0.635 0.000 2.293 656 G HA2 0.043 4.002 3.960 -0.000 0.000 0.282 656 G HA3 0.043 4.002 3.960 -0.000 0.000 0.282 656 G C -1.853 172.486 174.900 -0.934 0.000 1.299 656 G CA -0.355 44.036 45.100 -1.181 0.000 1.018 656 G HN 0.763 nan 8.290 nan 0.000 0.478 657 W N 0.083 121.474 121.300 0.151 0.000 3.107 657 W HA 0.529 5.189 4.660 -0.000 0.000 0.331 657 W C -0.467 176.008 176.519 -0.073 0.000 1.204 657 W CA -0.766 56.660 57.345 0.136 0.000 1.184 657 W CB 1.732 31.269 29.460 0.129 0.000 1.421 657 W HN 0.643 nan 8.180 nan 0.000 0.544 658 E N 1.997 122.345 120.200 0.247 0.000 2.229 658 E HA 0.367 4.717 4.350 -0.000 0.000 0.283 658 E C -0.681 175.904 176.600 -0.024 0.000 1.030 658 E CA -0.354 56.032 56.400 -0.023 0.000 0.836 658 E CB 1.178 30.916 29.700 0.062 0.000 1.068 658 E HN 0.163 nan 8.360 nan 0.000 0.401 659 L N 4.449 125.559 121.223 -0.189 0.000 2.318 659 L HA 0.382 4.722 4.340 -0.000 0.000 0.277 659 L C -0.984 175.815 176.870 -0.119 0.000 1.008 659 L CA -0.754 54.054 54.840 -0.054 0.000 0.846 659 L CB 0.214 42.254 42.059 -0.032 0.000 1.220 659 L HN 0.489 nan 8.230 nan 0.000 0.423 660 Y N 1.520 121.868 120.300 0.080 0.000 2.387 660 Y HA 0.685 5.234 4.550 -0.000 0.000 0.336 660 Y C 0.606 176.552 175.900 0.076 0.000 1.067 660 Y CA -0.337 57.811 58.100 0.080 0.000 1.114 660 Y CB 2.288 40.780 38.460 0.053 0.000 1.208 660 Y HN 0.474 nan 8.280 nan 0.000 0.458 661 T N 0.379 115.073 114.554 0.233 0.000 2.739 661 T HA 0.323 4.672 4.350 -0.000 0.000 0.303 661 T C -0.924 173.854 174.700 0.129 0.000 1.389 661 T CA -0.724 61.472 62.100 0.161 0.000 1.001 661 T CB 1.226 70.176 68.868 0.137 0.000 1.436 661 T HN 0.568 nan 8.240 nan 0.000 0.500 662 S N 0.588 116.342 115.700 0.091 0.000 2.572 662 S HA 0.466 4.936 4.470 -0.000 0.000 0.279 662 S C 1.719 176.349 174.600 0.050 0.000 1.341 662 S CA 0.312 58.551 58.200 0.064 0.000 1.043 662 S CB 0.387 63.615 63.200 0.047 0.000 0.887 662 S HN 0.936 nan 8.310 nan 0.000 0.516 663 A N 3.470 126.306 122.820 0.027 0.000 1.908 663 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 663 A C 1.805 179.383 177.584 -0.010 0.000 1.181 663 A CA 2.046 54.077 52.037 -0.011 0.000 0.627 663 A CB -0.914 18.078 19.000 -0.014 0.000 0.818 663 A HN 0.990 nan 8.150 nan 0.000 0.445 664 D N -0.106 120.299 120.400 0.008 0.000 2.263 664 D HA -0.155 4.485 4.640 -0.000 0.000 0.208 664 D C 0.945 177.264 176.300 0.032 0.000 0.971 664 D CA 1.336 55.343 54.000 0.012 0.000 0.867 664 D CB -0.638 40.170 40.800 0.013 0.000 0.929 664 D HN 0.405 nan 8.370 nan 0.000 0.492 665 N N 0.246 118.977 118.700 0.051 0.000 2.325 665 N HA 0.075 4.814 4.740 -0.000 0.000 0.182 665 N C 1.931 177.518 175.510 0.129 0.000 1.088 665 N CA 0.783 53.880 53.050 0.079 0.000 0.879 665 N CB 0.049 38.584 38.487 0.080 0.000 0.983 665 N HN 0.383 nan 8.380 nan 0.000 0.471 666 G N 1.250 110.129 108.800 0.132 0.000 2.446 666 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.217 666 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.217 666 G C 1.354 176.510 174.900 0.427 0.000 1.168 666 G CA 0.670 45.937 45.100 0.278 0.000 0.771 666 G HN 0.343 nan 8.290 nan 0.000 0.551 667 Q N -0.231 119.715 119.800 0.244 0.000 2.124 667 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 667 Q C 2.609 178.757 176.000 0.247 0.000 0.977 667 Q CA 1.471 57.424 55.803 0.249 0.000 0.850 667 Q CB -0.073 28.727 28.738 0.103 0.000 0.901 667 Q HN 0.359 nan 8.270 nan 0.000 0.429 668 R N 0.400 121.007 120.500 0.178 0.000 2.081 668 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 668 R C 2.105 178.497 176.300 0.153 0.000 1.131 668 R CA 1.418 57.603 56.100 0.142 0.000 0.960 668 R CB -0.868 29.491 30.300 0.099 0.000 0.856 668 R HN 0.386 nan 8.270 nan 0.000 0.436 669 L N 0.039 121.368 121.223 0.177 0.000 2.017 669 L HA -0.144 4.195 4.340 -0.000 0.000 0.208 669 L C 2.097 179.030 176.870 0.104 0.000 1.073 669 L CA 2.050 56.967 54.840 0.130 0.000 0.745 669 L CB -0.966 41.188 42.059 0.158 0.000 0.894 669 L HN 0.414 nan 8.230 nan 0.000 0.432 670 W N 0.883 122.176 121.300 -0.012 0.000 2.317 670 W HA -0.275 4.385 4.660 -0.000 0.000 0.318 670 W C 2.003 178.514 176.519 -0.014 0.000 1.227 670 W CA 2.194 59.461 57.345 -0.131 0.000 1.269 670 W CB -0.429 28.898 29.460 -0.222 0.000 1.155 670 W HN 0.312 nan 8.180 nan 0.000 0.484 671 D N 0.253 120.833 120.400 0.300 0.000 2.144 671 D HA -0.125 4.515 4.640 -0.000 0.000 0.199 671 D C 2.351 178.725 176.300 0.122 0.000 0.984 671 D CA 1.959 56.100 54.000 0.234 0.000 0.834 671 D CB -0.812 40.108 40.800 0.201 0.000 0.955 671 D HN 0.177 nan 8.370 nan 0.000 0.465 672 A N 0.823 123.684 122.820 0.067 0.000 1.883 672 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 672 A C 2.410 179.972 177.584 -0.037 0.000 1.186 672 A CA 1.055 53.103 52.037 0.019 0.000 0.624 672 A CB -0.856 18.150 19.000 0.010 0.000 0.822 672 A HN 0.209 nan 8.150 nan 0.000 0.444 673 L N -1.978 119.184 121.223 -0.102 0.000 2.093 673 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 673 L C 2.632 179.386 176.870 -0.194 0.000 1.085 673 L CA 1.285 56.013 54.840 -0.187 0.000 0.755 673 L CB -0.498 41.385 42.059 -0.292 0.000 0.904 673 L HN 0.752 nan 8.230 nan 0.000 0.435 674 W N 1.209 122.265 121.300 -0.407 0.000 2.355 674 W HA -0.269 4.391 4.660 -0.000 0.000 0.309 674 W C 2.479 178.888 176.519 -0.183 0.000 1.206 674 W CA 2.030 59.156 57.345 -0.365 0.000 1.284 674 W CB -0.107 29.158 29.460 -0.325 0.000 1.145 674 W HN 0.307 nan 8.180 nan 0.000 0.502 675 Q N 0.367 120.175 119.800 0.012 0.000 2.050 675 Q HA -0.171 4.168 4.340 -0.000 0.000 0.202 675 Q C 2.411 178.345 176.000 -0.109 0.000 0.980 675 Q CA 2.237 58.016 55.803 -0.039 0.000 0.840 675 Q CB -0.534 28.227 28.738 0.038 0.000 0.898 675 Q HN 0.157 nan 8.270 nan 0.000 0.424 676 A N 0.169 122.939 122.820 -0.083 0.000 1.978 676 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 676 A C 2.110 179.683 177.584 -0.019 0.000 1.170 676 A CA 1.664 53.673 52.037 -0.046 0.000 0.636 676 A CB -0.987 17.987 19.000 -0.043 0.000 0.810 676 A HN 0.593 nan 8.150 nan 0.000 0.448 677 G N -1.863 106.850 108.800 -0.145 0.000 2.777 677 G HA2 0.031 3.991 3.960 -0.000 0.000 0.211 677 G HA3 0.031 3.991 3.960 -0.000 0.000 0.211 677 G C 1.351 176.102 174.900 -0.248 0.000 1.149 677 G CA 0.454 45.476 45.100 -0.131 0.000 0.785 677 G HN 0.395 nan 8.290 nan 0.000 0.536 678 Q N 0.815 120.405 119.800 -0.349 0.000 2.077 678 Q HA -0.114 4.225 4.340 -0.000 0.000 0.206 678 Q C 0.030 175.832 176.000 -0.330 0.000 0.989 678 Q CA 1.584 57.169 55.803 -0.363 0.000 0.853 678 Q CB -1.497 27.066 28.738 -0.292 0.000 0.907 678 Q HN 0.398 nan 8.270 nan 0.000 0.418 679 P HA -0.047 nan 4.420 nan 0.000 0.233 679 P C 0.428 177.326 177.300 -0.670 0.000 1.167 679 P CA 0.873 63.642 63.100 -0.551 0.000 0.770 679 P CB -0.197 31.066 31.700 -0.729 0.000 0.837 680 F N -1.627 118.205 119.950 -0.196 0.000 2.695 680 F HA 0.394 4.921 4.527 -0.000 0.000 0.303 680 F C 1.567 177.224 175.800 -0.237 0.000 1.091 680 F CA 0.158 58.043 58.000 -0.192 0.000 1.300 680 F CB -0.293 38.597 39.000 -0.183 0.000 1.071 680 F HN -0.087 nan 8.300 nan 0.000 0.578 681 G N 1.534 110.229 108.800 -0.176 0.000 2.198 681 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.257 681 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.257 681 G C 0.147 174.872 174.900 -0.293 0.000 1.042 681 G CA 0.147 45.107 45.100 -0.234 0.000 0.791 681 G HN 0.260 nan 8.290 nan 0.000 0.502 682 V N 0.671 120.372 119.914 -0.354 0.000 2.788 682 V HA 0.481 4.601 4.120 -0.000 0.000 0.307 682 V C 0.988 176.778 176.094 -0.507 0.000 1.069 682 V CA 0.931 62.971 62.300 -0.433 0.000 1.173 682 V CB 0.539 32.033 31.823 -0.549 0.000 0.925 682 V HN 0.933 nan 8.190 nan 0.000 0.492 683 I N 4.145 124.518 120.570 -0.329 0.000 3.002 683 I HA 0.912 5.082 4.170 -0.000 0.000 0.310 683 I C -0.091 175.991 176.117 -0.059 0.000 1.087 683 I CA -1.025 60.179 61.300 -0.160 0.000 1.017 683 I CB 2.059 39.979 38.000 -0.133 0.000 1.226 683 I HN 0.671 nan 8.210 nan 0.000 0.443 684 A N 2.832 125.647 122.820 -0.009 0.000 2.363 684 A HA 0.832 5.152 4.320 -0.000 0.000 0.270 684 A C -0.051 177.280 177.584 -0.422 0.000 1.121 684 A CA -0.087 51.730 52.037 -0.366 0.000 0.800 684 A CB 0.275 18.663 19.000 -1.020 0.000 1.052 684 A HN 1.193 nan 8.150 nan 0.000 0.493 685 A N 1.983 124.605 122.820 -0.329 0.000 2.371 685 A HA 0.800 5.119 4.320 -0.000 0.000 0.311 685 A C 0.346 177.949 177.584 0.032 0.000 1.068 685 A CA 0.025 51.916 52.037 -0.244 0.000 0.744 685 A CB 1.269 19.767 19.000 -0.836 0.000 1.239 685 A HN 1.631 nan 8.150 nan 0.000 0.435 686 G N -0.252 108.734 108.800 0.310 0.000 2.642 686 G HA2 0.448 4.408 3.960 -0.000 0.000 0.291 686 G HA3 0.448 4.408 3.960 -0.000 0.000 0.291 686 G C 0.631 175.696 174.900 0.275 0.000 1.345 686 G CA -0.443 44.791 45.100 0.223 0.000 1.043 686 G HN 0.835 nan 8.290 nan 0.000 0.528 687 R N -1.011 119.466 120.500 -0.039 0.000 2.148 687 R HA 0.007 4.347 4.340 -0.000 0.000 0.227 687 R C 2.595 178.923 176.300 0.048 0.000 1.103 687 R CA 1.598 57.601 56.100 -0.162 0.000 0.983 687 R CB -0.337 29.474 30.300 -0.814 0.000 0.874 687 R HN 0.486 nan 8.270 nan 0.000 0.451 688 A N 0.675 123.590 122.820 0.158 0.000 1.858 688 A HA -0.108 4.211 4.320 -0.000 0.000 0.216 688 A C 2.342 180.194 177.584 0.447 0.000 1.190 688 A CA 1.635 53.916 52.037 0.406 0.000 0.617 688 A CB -0.889 18.465 19.000 0.590 0.000 0.827 688 A HN 0.484 nan 8.150 nan 0.000 0.443 689 A N -1.204 121.887 122.820 0.452 0.000 1.902 689 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 689 A C 2.077 179.947 177.584 0.475 0.000 1.181 689 A CA 1.625 53.940 52.037 0.465 0.000 0.623 689 A CB -0.797 18.453 19.000 0.417 0.000 0.818 689 A HN 0.698 nan 8.150 nan 0.000 0.443 690 F N 1.439 121.620 119.950 0.384 0.000 2.065 690 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 690 F C 2.575 178.467 175.800 0.153 0.000 1.112 690 F CA 2.219 60.347 58.000 0.214 0.000 1.212 690 F CB -0.311 38.828 39.000 0.231 0.000 0.975 690 F HN 0.207 nan 8.300 nan 0.000 0.476 691 S N -0.807 115.133 115.700 0.400 0.000 2.382 691 S HA -0.217 4.253 4.470 -0.000 0.000 0.228 691 S C 2.202 176.864 174.600 0.103 0.000 1.027 691 S CA 1.236 59.588 58.200 0.252 0.000 0.991 691 S CB -0.593 62.801 63.200 0.324 0.000 0.823 691 S HN 0.544 nan 8.310 nan 0.000 0.469 692 S N 1.305 117.105 115.700 0.167 0.000 2.355 692 S HA 0.027 4.497 4.470 -0.000 0.000 0.222 692 S C 1.810 176.404 174.600 -0.011 0.000 1.031 692 S CA 0.831 59.093 58.200 0.102 0.000 0.993 692 S CB -0.429 62.922 63.200 0.252 0.000 0.859 692 S HN 0.434 nan 8.310 nan 0.000 0.453 693 L N 1.483 122.697 121.223 -0.015 0.000 2.083 693 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 693 L C 2.720 179.389 176.870 -0.335 0.000 1.083 693 L CA 1.733 56.480 54.840 -0.156 0.000 0.752 693 L CB -0.587 41.383 42.059 -0.148 0.000 0.899 693 L HN 0.408 nan 8.230 nan 0.000 0.433 694 R N 0.332 120.560 120.500 -0.453 0.000 2.148 694 R HA -0.068 4.272 4.340 -0.000 0.000 0.223 694 R C 1.899 177.887 176.300 -0.520 0.000 1.088 694 R CA 1.275 56.974 56.100 -0.669 0.000 0.985 694 R CB -0.943 28.716 30.300 -1.069 0.000 0.880 694 R HN 0.259 nan 8.270 nan 0.000 0.451 695 L N 0.635 121.682 121.223 -0.294 0.000 2.109 695 L HA -0.008 4.332 4.340 -0.000 0.000 0.207 695 L C 2.088 178.876 176.870 -0.136 0.000 1.086 695 L CA 1.488 56.230 54.840 -0.163 0.000 0.760 695 L CB -0.356 41.687 42.059 -0.026 0.000 0.910 695 L HN 0.360 nan 8.230 nan 0.000 0.437 696 E N -0.149 119.941 120.200 -0.184 0.000 2.204 696 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 696 E C 1.637 178.114 176.600 -0.205 0.000 0.990 696 E CA 0.684 56.989 56.400 -0.158 0.000 0.821 696 E CB 0.167 29.770 29.700 -0.161 0.000 0.750 696 E HN 0.201 nan 8.360 nan 0.000 0.477 697 K N -0.611 119.534 120.400 -0.425 0.000 2.426 697 K HA 0.053 4.373 4.320 -0.000 0.000 0.193 697 K C 1.136 177.294 176.600 -0.737 0.000 1.028 697 K CA 0.677 56.525 56.287 -0.730 0.000 1.047 697 K CB 0.611 32.249 32.500 -1.437 0.000 0.821 697 K HN 0.256 nan 8.250 nan 0.000 0.513 698 G N 1.339 109.885 108.800 -0.424 0.000 2.153 698 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.252 698 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.252 698 G C -0.107 174.634 174.900 -0.265 0.000 0.994 698 G CA 0.141 45.100 45.100 -0.235 0.000 0.698 698 G HN 0.387 nan 8.290 nan 0.000 0.521 699 Y N 0.028 120.138 120.300 -0.316 0.000 2.359 699 Y HA 0.507 5.057 4.550 -0.000 0.000 0.330 699 Y C 1.314 177.091 175.900 -0.205 0.000 1.143 699 Y CA -1.059 56.872 58.100 -0.281 0.000 1.318 699 Y CB 0.588 38.747 38.460 -0.501 0.000 1.234 699 Y HN 0.062 nan 8.280 nan 0.000 0.522 700 R N 1.251 121.831 120.500 0.133 0.000 2.531 700 R HA 0.265 4.605 4.340 -0.000 0.000 0.273 700 R C -0.464 175.983 176.300 0.244 0.000 1.070 700 R CA -0.480 55.669 56.100 0.083 0.000 1.112 700 R CB 1.171 31.544 30.300 0.122 0.000 1.049 700 R HN 0.511 nan 8.270 nan 0.000 0.508 701 S N 1.908 117.718 115.700 0.184 0.000 2.530 701 S HA 0.277 4.747 4.470 -0.000 0.000 0.322 701 S C -1.257 173.479 174.600 0.226 0.000 1.085 701 S CA -0.794 57.564 58.200 0.265 0.000 1.096 701 S CB 0.223 63.566 63.200 0.240 0.000 0.988 701 S HN 0.514 nan 8.310 nan 0.000 0.466 702 W N 4.926 126.308 121.300 0.137 0.000 2.210 702 W HA 0.484 5.144 4.660 -0.000 0.000 0.330 702 W C 1.167 177.747 176.519 0.101 0.000 1.334 702 W CA 1.656 59.065 57.345 0.107 0.000 1.227 702 W CB 0.299 29.809 29.460 0.083 0.000 1.178 702 W HN 1.066 nan 8.180 nan 0.000 0.560 703 G N 2.252 110.361 108.800 -1.151 0.000 2.259 703 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.217 703 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.217 703 G C 0.700 175.358 174.900 -0.403 0.000 1.001 703 G CA 1.014 45.520 45.100 -0.991 0.000 0.627 703 G HN 1.036 nan 8.290 nan 0.000 0.501 704 T N -3.442 110.995 114.554 -0.195 0.000 3.221 704 T HA 0.220 4.570 4.350 -0.000 0.000 0.250 704 T C 1.452 176.162 174.700 0.016 0.000 0.988 704 T CA 1.301 63.389 62.100 -0.021 0.000 1.163 704 T CB 0.149 69.057 68.868 0.068 0.000 1.098 704 T HN -0.052 nan 8.240 nan 0.000 0.422 705 D N 2.252 122.644 120.400 -0.013 0.000 2.178 705 D HA 0.081 4.721 4.640 -0.000 0.000 0.202 705 D C 1.109 177.400 176.300 -0.016 0.000 0.974 705 D CA 1.075 55.056 54.000 -0.031 0.000 0.841 705 D CB 0.021 40.771 40.800 -0.083 0.000 0.953 705 D HN 0.522 nan 8.370 nan 0.000 0.478 706 M N -0.843 118.722 119.600 -0.059 0.000 2.520 706 M HA 0.456 4.936 4.480 -0.000 0.000 0.280 706 M C -0.741 175.456 176.300 -0.172 0.000 1.232 706 M CA -0.710 54.582 55.300 -0.013 0.000 0.892 706 M CB 1.685 34.350 32.600 0.109 0.000 1.728 706 M HN -0.107 nan 8.290 nan 0.000 0.475 707 T N -2.547 112.086 114.554 0.131 0.000 2.654 707 T HA 0.557 4.907 4.350 -0.000 0.000 0.289 707 T C 0.829 175.606 174.700 0.128 0.000 1.062 707 T CA 0.329 62.368 62.100 -0.102 0.000 1.041 707 T CB 0.943 69.689 68.868 -0.203 0.000 1.417 707 T HN 0.896 nan 8.240 nan 0.000 0.510 708 T N -1.642 112.976 114.554 0.107 0.000 3.098 708 T HA 0.048 4.398 4.350 -0.000 0.000 0.266 708 T C 1.166 175.825 174.700 -0.069 0.000 1.145 708 T CA 1.092 63.232 62.100 0.067 0.000 1.092 708 T CB -0.656 68.249 68.868 0.063 0.000 0.908 708 T HN 0.732 nan 8.240 nan 0.000 0.526 709 E N 0.238 120.299 120.200 -0.232 0.000 2.478 709 E HA 0.035 4.384 4.350 -0.000 0.000 0.198 709 E C -0.223 176.027 176.600 -0.584 0.000 1.046 709 E CA 0.377 56.515 56.400 -0.437 0.000 0.870 709 E CB 0.009 29.364 29.700 -0.576 0.000 0.818 709 E HN 0.772 nan 8.360 nan 0.000 0.527 710 H N -0.020 119.007 119.070 -0.073 0.000 2.622 710 H HA 0.168 4.724 4.556 -0.000 0.000 0.363 710 H C -0.568 174.771 175.328 0.018 0.000 1.151 710 H CA -1.254 54.756 56.048 -0.064 0.000 1.184 710 H CB 1.287 31.002 29.762 -0.079 0.000 1.643 710 H HN 0.004 nan 8.280 nan 0.000 0.531 711 D N 1.809 122.311 120.400 0.170 0.000 2.437 711 D HA 0.182 4.822 4.640 -0.000 0.000 0.259 711 D C -1.950 174.404 176.300 0.090 0.000 1.118 711 D CA -2.369 51.713 54.000 0.136 0.000 1.017 711 D CB 0.770 41.677 40.800 0.178 0.000 1.120 711 D HN 0.151 nan 8.370 nan 0.000 0.541 712 P HA 0.002 nan 4.420 nan 0.000 0.221 712 P C 0.889 178.008 177.300 -0.301 0.000 1.150 712 P CA 0.992 63.928 63.100 -0.274 0.000 0.800 712 P CB -0.062 31.302 31.700 -0.560 0.000 0.787 713 F N 0.001 120.000 119.950 0.081 0.000 2.206 713 F HA -0.048 4.479 4.527 -0.000 0.000 0.298 713 F C 2.259 178.127 175.800 0.112 0.000 1.090 713 F CA 1.044 59.095 58.000 0.085 0.000 1.323 713 F CB -0.931 38.112 39.000 0.073 0.000 1.028 713 F HN -0.061 nan 8.300 nan 0.000 0.492 714 E N 0.334 120.710 120.200 0.294 0.000 2.110 714 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 714 E C 2.139 178.924 176.600 0.309 0.000 0.988 714 E CA 0.997 57.580 56.400 0.305 0.000 0.804 714 E CB -0.254 29.644 29.700 0.330 0.000 0.745 714 E HN 0.359 nan 8.360 nan 0.000 0.458 715 A N 0.151 123.111 122.820 0.233 0.000 2.238 715 A HA 0.259 4.579 4.320 -0.000 0.000 0.208 715 A C 1.588 179.208 177.584 0.059 0.000 1.177 715 A CA 0.712 52.829 52.037 0.133 0.000 0.804 715 A CB -0.248 18.830 19.000 0.131 0.000 0.823 715 A HN 0.313 nan 8.150 nan 0.000 0.482 716 G N -1.028 107.826 108.800 0.090 0.000 2.160 716 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.251 716 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.251 716 G C 0.373 175.364 174.900 0.151 0.000 1.008 716 G CA 0.485 45.659 45.100 0.123 0.000 0.724 716 G HN 0.567 nan 8.290 nan 0.000 0.514 717 L N 0.255 121.470 121.223 -0.014 0.000 2.965 717 L HA 0.325 4.665 4.340 -0.000 0.000 0.254 717 L C 2.461 179.034 176.870 -0.495 0.000 1.220 717 L CA 0.335 55.028 54.840 -0.244 0.000 1.023 717 L CB 0.094 42.024 42.059 -0.216 0.000 1.355 717 L HN 0.251 nan 8.230 nan 0.000 0.545 718 G N 1.513 110.140 108.800 -0.288 0.000 2.469 718 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.219 718 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.219 718 G C 1.365 176.177 174.900 -0.146 0.000 1.150 718 G CA 1.144 46.049 45.100 -0.325 0.000 0.763 718 G HN 0.545 nan 8.290 nan 0.000 0.561 719 F N 1.269 121.229 119.950 0.018 0.000 2.250 719 F HA 0.180 4.707 4.527 -0.000 0.000 0.301 719 F C 2.317 178.120 175.800 0.005 0.000 1.077 719 F CA 0.675 58.696 58.000 0.035 0.000 1.348 719 F CB -0.519 38.508 39.000 0.045 0.000 1.040 719 F HN 0.170 nan 8.300 nan 0.000 0.509 720 A N 0.445 122.786 122.820 -0.799 0.000 2.251 720 A HA 0.406 4.725 4.320 -0.000 0.000 0.209 720 A C 0.406 177.769 177.584 -0.369 0.000 1.187 720 A CA 0.142 51.844 52.037 -0.559 0.000 0.823 720 A CB -0.682 17.838 19.000 -0.801 0.000 0.846 720 A HN 0.151 nan 8.150 nan 0.000 0.486 721 V N 1.007 120.740 119.914 -0.302 0.000 2.334 721 V HA 0.211 4.331 4.120 -0.000 0.000 0.281 721 V C 0.170 176.202 176.094 -0.102 0.000 1.016 721 V CA -0.690 61.461 62.300 -0.249 0.000 0.832 721 V CB 1.309 33.003 31.823 -0.215 0.000 0.999 721 V HN 0.381 nan 8.190 nan 0.000 0.439 722 K N 5.181 125.482 120.400 -0.165 0.000 2.150 722 K HA 0.254 4.574 4.320 -0.000 0.000 0.261 722 K C 1.085 177.738 176.600 0.089 0.000 1.127 722 K CA -0.584 55.682 56.287 -0.035 0.000 0.989 722 K CB 0.386 32.850 32.500 -0.061 0.000 1.475 722 K HN 0.545 nan 8.250 nan 0.000 0.391 723 M N 1.804 121.515 119.600 0.185 0.000 2.358 723 M HA -0.105 4.375 4.480 -0.000 0.000 0.264 723 M C 1.759 178.199 176.300 0.233 0.000 1.064 723 M CA 1.013 56.487 55.300 0.291 0.000 1.093 723 M CB -0.866 31.877 32.600 0.238 0.000 1.401 723 M HN 0.656 nan 8.290 nan 0.000 0.440 724 A N 0.052 122.968 122.820 0.160 0.000 2.121 724 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 724 A C 1.162 178.829 177.584 0.137 0.000 1.154 724 A CA 0.448 52.558 52.037 0.121 0.000 0.679 724 A CB -0.449 18.602 19.000 0.085 0.000 0.795 724 A HN 0.387 nan 8.150 nan 0.000 0.458 725 K N -0.531 119.984 120.400 0.192 0.000 2.559 725 K HA 0.166 4.486 4.320 -0.000 0.000 0.279 725 K C 1.483 178.195 176.600 0.186 0.000 0.967 725 K CA 0.435 56.846 56.287 0.207 0.000 1.000 725 K CB 0.294 32.981 32.500 0.312 0.000 0.890 725 K HN 0.463 nan 8.250 nan 0.000 0.501 726 E N 1.685 121.960 120.200 0.126 0.000 2.110 726 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 726 E C 0.788 177.424 176.600 0.060 0.000 0.988 726 E CA 1.646 58.092 56.400 0.077 0.000 0.804 726 E CB 0.226 29.960 29.700 0.057 0.000 0.745 726 E HN 0.491 nan 8.360 nan 0.000 0.458 727 S N -1.628 114.141 115.700 0.116 0.000 2.542 727 S HA 0.613 5.083 4.470 -0.000 0.000 0.276 727 S C -1.628 173.093 174.600 0.201 0.000 1.148 727 S CA -0.259 57.969 58.200 0.047 0.000 0.886 727 S CB 0.518 63.740 63.200 0.037 0.000 1.109 727 S HN 1.095 nan 8.310 nan 0.000 0.458 728 F N 1.280 121.223 119.950 -0.011 0.000 2.746 728 F HA 0.532 5.059 4.527 -0.000 0.000 0.311 728 F C -1.353 174.412 175.800 -0.057 0.000 1.135 728 F CA -1.382 56.599 58.000 -0.032 0.000 0.954 728 F CB 0.268 39.247 39.000 -0.035 0.000 1.276 728 F HN 0.447 nan 8.300 nan 0.000 0.440 729 I N 2.999 123.613 120.570 0.073 0.000 2.828 729 I HA 0.296 4.465 4.170 -0.000 0.000 0.292 729 I C 1.275 177.352 176.117 -0.067 0.000 1.206 729 I CA 1.784 62.998 61.300 -0.144 0.000 1.420 729 I CB 0.029 37.896 38.000 -0.222 0.000 1.368 729 I HN 1.175 nan 8.210 nan 0.000 0.556 730 G N 4.917 113.609 108.800 -0.180 0.000 2.213 730 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.226 730 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.226 730 G C 1.132 175.947 174.900 -0.143 0.000 0.992 730 G CA 0.325 45.380 45.100 -0.075 0.000 0.632 730 G HN 0.678 nan 8.290 nan 0.000 0.511 731 K N 0.750 120.825 120.400 -0.542 0.000 2.026 731 K HA 0.021 4.341 4.320 -0.000 0.000 0.208 731 K C 2.646 179.082 176.600 -0.273 0.000 1.048 731 K CA 2.144 57.975 56.287 -0.760 0.000 0.929 731 K CB -0.834 30.783 32.500 -1.471 0.000 0.713 731 K HN 0.453 nan 8.250 nan 0.000 0.439 732 G N 0.326 109.000 108.800 -0.209 0.000 2.422 732 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 732 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 732 G C 1.554 176.431 174.900 -0.039 0.000 1.146 732 G CA 0.892 45.935 45.100 -0.096 0.000 0.769 732 G HN 0.462 nan 8.290 nan 0.000 0.547 733 A N 0.197 123.005 122.820 -0.020 0.000 2.015 733 A HA 0.226 4.546 4.320 -0.000 0.000 0.219 733 A C 2.219 179.832 177.584 0.049 0.000 1.163 733 A CA 0.789 52.838 52.037 0.021 0.000 0.646 733 A CB -0.196 18.826 19.000 0.037 0.000 0.806 733 A HN 0.369 nan 8.150 nan 0.000 0.448 734 L N -0.182 121.085 121.223 0.072 0.000 2.567 734 L HA 0.021 4.361 4.340 -0.000 0.000 0.225 734 L C 0.286 177.201 176.870 0.075 0.000 1.119 734 L CA -0.231 54.701 54.840 0.155 0.000 0.871 734 L CB -0.140 42.107 42.059 0.314 0.000 1.036 734 L HN 0.179 nan 8.230 nan 0.000 0.459 735 E N 0.514 120.729 120.200 0.026 0.000 2.493 735 E HA 0.248 4.598 4.350 -0.000 0.000 0.255 735 E C 1.096 177.675 176.600 -0.034 0.000 0.999 735 E CA 0.716 57.114 56.400 -0.004 0.000 0.934 735 E CB 0.620 30.312 29.700 -0.012 0.000 0.940 735 E HN 0.575 nan 8.360 nan 0.000 0.473 736 G N 3.270 112.029 108.800 -0.068 0.000 2.213 736 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.236 736 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.236 736 G C 0.417 175.215 174.900 -0.170 0.000 0.991 736 G CA 0.081 45.126 45.100 -0.091 0.000 0.629 736 G HN 0.530 nan 8.290 nan 0.000 0.517 737 R N 1.237 121.577 120.500 -0.267 0.000 2.490 737 R HA 0.576 4.915 4.340 -0.000 0.000 0.278 737 R C 0.409 176.210 176.300 -0.833 0.000 1.069 737 R CA 0.729 56.571 56.100 -0.429 0.000 1.080 737 R CB 1.015 31.123 30.300 -0.321 0.000 1.030 737 R HN 0.489 nan 8.270 nan 0.000 0.491 738 T N -2.543 111.665 114.554 -0.576 0.000 2.864 738 T HA 0.201 4.550 4.350 -0.000 0.000 0.299 738 T C 0.687 175.321 174.700 -0.110 0.000 1.166 738 T CA -1.015 60.801 62.100 -0.473 0.000 1.007 738 T CB 1.878 70.631 68.868 -0.192 0.000 1.219 738 T HN 0.557 nan 8.240 nan 0.000 0.506 739 E N 0.422 120.703 120.200 0.134 0.000 2.077 739 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 739 E C 1.571 178.234 176.600 0.105 0.000 0.989 739 E CA 1.391 57.919 56.400 0.213 0.000 0.800 739 E CB -0.046 29.800 29.700 0.243 0.000 0.746 739 E HN 0.718 nan 8.360 nan 0.000 0.452 740 E N 0.575 120.810 120.200 0.059 0.000 2.153 740 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 740 E C 1.563 178.176 176.600 0.022 0.000 0.988 740 E CA 1.168 57.589 56.400 0.035 0.000 0.811 740 E CB -0.066 29.646 29.700 0.021 0.000 0.746 740 E HN 0.266 nan 8.360 nan 0.000 0.466 741 A N 0.118 122.943 122.820 0.008 0.000 2.275 741 A HA 0.169 4.489 4.320 -0.000 0.000 0.212 741 A C 0.804 178.401 177.584 0.022 0.000 1.201 741 A CA -0.206 51.833 52.037 0.003 0.000 0.843 741 A CB 0.189 19.175 19.000 -0.022 0.000 0.873 741 A HN 0.045 nan 8.150 nan 0.000 0.492 742 S N 0.408 116.139 115.700 0.050 0.000 2.537 742 S HA 0.319 4.789 4.470 -0.000 0.000 0.286 742 S C 1.530 176.172 174.600 0.071 0.000 1.299 742 S CA 0.197 58.447 58.200 0.082 0.000 1.067 742 S CB 1.271 64.556 63.200 0.142 0.000 0.864 742 S HN 0.622 nan 8.310 nan 0.000 0.494 743 A N 4.596 127.456 122.820 0.066 0.000 1.969 743 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 743 A C 0.925 178.551 177.584 0.071 0.000 1.169 743 A CA 1.002 53.072 52.037 0.056 0.000 0.635 743 A CB 0.064 19.092 19.000 0.046 0.000 0.810 743 A HN 0.653 nan 8.150 nan 0.000 0.445 744 R N -0.261 120.305 120.500 0.109 0.000 2.599 744 R HA 0.656 4.996 4.340 -0.000 0.000 0.295 744 R C -1.073 175.365 176.300 0.229 0.000 0.963 744 R CA -0.381 55.816 56.100 0.160 0.000 0.883 744 R CB 1.636 32.044 30.300 0.180 0.000 1.171 744 R HN 0.316 nan 8.270 nan 0.000 0.450 745 R N 1.364 121.984 120.500 0.199 0.000 2.673 745 R HA 0.403 4.743 4.340 -0.000 0.000 0.281 745 R C -0.502 175.760 176.300 -0.063 0.000 0.991 745 R CA -1.010 55.171 56.100 0.135 0.000 0.896 745 R CB 2.337 32.673 30.300 0.059 0.000 1.201 745 R HN 0.354 nan 8.270 nan 0.000 0.457 746 L N 3.742 124.766 121.223 -0.333 0.000 2.418 746 L HA 0.255 4.594 4.340 -0.000 0.000 0.274 746 L C -0.424 176.305 176.870 -0.234 0.000 1.135 746 L CA 0.198 54.633 54.840 -0.675 0.000 0.870 746 L CB 0.125 41.739 42.059 -0.742 0.000 1.154 746 L HN 0.433 nan 8.230 nan 0.000 0.462 747 R N 3.400 123.776 120.500 -0.206 0.000 2.740 747 R HA 0.323 4.663 4.340 -0.000 0.000 0.282 747 R C -1.052 175.008 176.300 -0.399 0.000 0.969 747 R CA -0.599 55.386 56.100 -0.192 0.000 0.918 747 R CB 1.594 31.783 30.300 -0.185 0.000 1.175 747 R HN 0.622 nan 8.270 nan 0.000 0.464 748 C N 4.354 123.306 119.300 -0.580 0.000 2.347 748 C HA 0.578 5.038 4.460 -0.000 0.000 0.353 748 C C -0.115 174.545 174.990 -0.550 0.000 1.273 748 C CA -0.469 57.916 59.018 -1.055 0.000 1.861 748 C CB -1.112 26.137 27.740 -0.819 0.000 2.420 748 C HN 0.566 nan 8.230 nan 0.000 0.542 749 L N 6.404 127.332 121.223 -0.493 0.000 2.334 749 L HA 0.652 4.992 4.340 -0.000 0.000 0.276 749 L C 0.503 177.232 176.870 -0.235 0.000 1.014 749 L CA -0.211 54.467 54.840 -0.271 0.000 0.815 749 L CB 2.060 44.010 42.059 -0.182 0.000 1.268 749 L HN 0.746 nan 8.230 nan 0.000 0.428 750 T N -0.892 113.558 114.554 -0.174 0.000 2.856 750 T HA 0.662 5.012 4.350 -0.000 0.000 0.283 750 T C -0.444 174.188 174.700 -0.113 0.000 1.008 750 T CA -0.706 61.300 62.100 -0.157 0.000 0.997 750 T CB 1.862 70.636 68.868 -0.157 0.000 0.992 750 T HN 0.161 nan 8.240 nan 0.000 0.454 751 I N 3.471 123.977 120.570 -0.106 0.000 2.352 751 I HA 0.228 4.397 4.170 -0.000 0.000 0.290 751 I C 0.987 177.068 176.117 -0.059 0.000 1.036 751 I CA -0.367 60.892 61.300 -0.069 0.000 1.336 751 I CB 0.726 38.691 38.000 -0.058 0.000 1.407 751 I HN 0.672 nan 8.210 nan 0.000 0.497 752 D N 3.313 123.687 120.400 -0.042 0.000 2.117 752 D HA -0.196 4.444 4.640 -0.000 0.000 0.197 752 D C 1.481 177.764 176.300 -0.029 0.000 0.987 752 D CA 1.437 55.414 54.000 -0.038 0.000 0.829 752 D CB -0.145 40.639 40.800 -0.026 0.000 0.961 752 D HN 0.686 nan 8.370 nan 0.000 0.460 753 D N -0.531 119.858 120.400 -0.018 0.000 2.378 753 D HA 0.023 4.663 4.640 -0.000 0.000 0.227 753 D C 1.577 177.877 176.300 0.000 0.000 1.012 753 D CA 0.981 54.976 54.000 -0.008 0.000 0.905 753 D CB -0.518 40.281 40.800 -0.002 0.000 0.895 753 D HN 0.239 nan 8.370 nan 0.000 0.532 754 G N 0.569 109.366 108.800 -0.004 0.000 2.196 754 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.268 754 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.268 754 G C 1.097 176.065 174.900 0.112 0.000 0.975 754 G CA 0.677 45.792 45.100 0.025 0.000 0.648 754 G HN 0.600 nan 8.290 nan 0.000 0.538 755 R N -1.057 119.488 120.500 0.076 0.000 2.650 755 R HA 0.245 4.584 4.340 -0.000 0.000 0.212 755 R C 0.441 176.764 176.300 0.039 0.000 0.904 755 R CA 0.679 56.823 56.100 0.072 0.000 1.021 755 R CB 0.163 30.480 30.300 0.028 0.000 1.519 755 R HN 0.227 nan 8.270 nan 0.000 0.639 756 S N 1.982 117.684 115.700 0.004 0.000 2.485 756 S HA 0.327 4.797 4.470 -0.000 0.000 0.312 756 S C -0.046 174.484 174.600 -0.118 0.000 1.102 756 S CA -0.280 57.885 58.200 -0.058 0.000 1.066 756 S CB 0.269 63.440 63.200 -0.048 0.000 1.102 756 S HN 0.186 nan 8.310 nan 0.000 0.519 757 I N 3.957 124.452 120.570 -0.124 0.000 2.496 757 I HA 0.200 4.370 4.170 -0.000 0.000 0.285 757 I C 0.476 176.419 176.117 -0.290 0.000 1.080 757 I CA -0.458 60.787 61.300 -0.092 0.000 1.404 757 I CB 0.750 38.768 38.000 0.029 0.000 1.403 757 I HN 0.311 nan 8.210 nan 0.000 0.539 758 V N 5.136 124.969 119.914 -0.135 0.000 2.994 758 V HA 0.500 4.620 4.120 -0.000 0.000 0.318 758 V C 0.151 176.341 176.094 0.159 0.000 1.085 758 V CA -0.627 61.651 62.300 -0.037 0.000 0.998 758 V CB 2.094 33.940 31.823 0.039 0.000 1.063 758 V HN 0.744 nan 8.190 nan 0.000 0.447 759 L N 1.118 122.515 121.223 0.290 0.000 2.803 759 L HA 0.710 5.049 4.340 -0.000 0.000 0.246 759 L C 0.958 177.990 176.870 0.271 0.000 1.100 759 L CA 0.702 55.723 54.840 0.301 0.000 0.919 759 L CB 0.899 43.186 42.059 0.379 0.000 1.285 759 L HN 1.189 nan 8.230 nan 0.000 0.522 760 G N 0.083 109.047 108.800 0.273 0.000 2.521 760 G HA2 0.055 4.015 3.960 -0.000 0.000 0.589 760 G HA3 0.055 4.015 3.960 -0.000 0.000 0.589 760 G C -0.050 175.030 174.900 0.300 0.000 1.501 760 G CA -0.397 44.865 45.100 0.271 0.000 0.887 760 G HN 0.044 nan 8.290 nan 0.000 0.654 761 K N -1.176 119.424 120.400 0.333 0.000 3.583 761 K HA -0.167 4.152 4.320 -0.000 0.000 0.287 761 K C 0.460 177.141 176.600 0.136 0.000 1.269 761 K CA 1.672 58.139 56.287 0.300 0.000 0.998 761 K CB -0.878 31.827 32.500 0.341 0.000 1.284 761 K HN 0.686 nan 8.250 nan 0.000 0.472 762 E N 2.464 122.760 120.200 0.161 0.000 2.384 762 E HA 0.078 4.428 4.350 -0.000 0.000 0.266 762 E C -2.294 174.342 176.600 0.061 0.000 1.012 762 E CA -1.525 54.925 56.400 0.084 0.000 0.901 762 E CB 0.307 30.101 29.700 0.156 0.000 0.967 762 E HN 0.062 nan 8.360 nan 0.000 0.435 763 P HA 0.001 nan 4.420 nan 0.000 0.271 763 P C -0.755 176.529 177.300 -0.026 0.000 1.218 763 P CA -0.112 62.932 63.100 -0.093 0.000 0.780 763 P CB 0.776 32.368 31.700 -0.179 0.000 0.901 764 V N 4.006 123.832 119.914 -0.145 0.000 2.495 764 V HA 0.402 4.521 4.120 -0.000 0.000 0.298 764 V C -0.136 175.845 176.094 -0.189 0.000 1.031 764 V CA -0.318 61.962 62.300 -0.034 0.000 0.871 764 V CB 0.774 32.599 31.823 0.004 0.000 0.988 764 V HN 0.349 nan 8.190 nan 0.000 0.432 765 F N 3.956 123.951 119.950 0.074 0.000 2.495 765 F HA 0.617 5.144 4.527 -0.000 0.000 0.327 765 F C -0.566 175.323 175.800 0.148 0.000 1.103 765 F CA -0.746 57.307 58.000 0.088 0.000 0.949 765 F CB 1.723 40.749 39.000 0.044 0.000 1.142 765 F HN 0.481 nan 8.300 nan 0.000 0.457 766 Y N 2.996 123.398 120.300 0.170 0.000 2.373 766 Y HA 0.347 4.897 4.550 -0.000 0.000 0.336 766 Y C -0.054 175.908 175.900 0.103 0.000 0.979 766 Y CA -1.780 56.383 58.100 0.104 0.000 1.080 766 Y CB 1.270 39.763 38.460 0.056 0.000 1.190 766 Y HN 0.672 nan 8.280 nan 0.000 0.446 767 K N 5.592 125.707 120.400 -0.475 0.000 3.156 767 K HA -0.274 4.046 4.320 -0.000 0.000 0.266 767 K C -0.250 176.310 176.600 -0.066 0.000 0.966 767 K CA 1.116 57.216 56.287 -0.313 0.000 0.719 767 K CB -0.860 31.406 32.500 -0.390 0.000 1.333 767 K HN 0.885 nan 8.250 nan 0.000 0.468 768 E N -2.396 117.819 120.200 0.024 0.000 3.673 768 E HA -0.214 4.136 4.350 -0.000 0.000 0.309 768 E C -0.330 176.419 176.600 0.248 0.000 0.819 768 E CA 1.427 57.877 56.400 0.084 0.000 1.111 768 E CB -0.930 28.768 29.700 -0.004 0.000 1.561 768 E HN 0.598 nan 8.360 nan 0.000 0.450 769 Q N -0.369 119.592 119.800 0.269 0.000 2.274 769 Q HA 0.683 5.023 4.340 -0.000 0.000 0.260 769 Q C -0.002 176.094 176.000 0.159 0.000 0.974 769 Q CA -0.095 55.855 55.803 0.246 0.000 0.876 769 Q CB 1.857 30.680 28.738 0.141 0.000 1.297 769 Q HN 0.182 nan 8.270 nan 0.000 0.446 770 A N 1.811 124.585 122.820 -0.077 0.000 2.444 770 A HA 0.327 4.647 4.320 -0.000 0.000 0.273 770 A C 0.872 178.348 177.584 -0.179 0.000 1.136 770 A CA -0.195 51.532 52.037 -0.517 0.000 0.799 770 A CB -0.195 18.513 19.000 -0.486 0.000 1.081 770 A HN 0.605 nan 8.150 nan 0.000 0.509 771 V N 0.413 120.244 119.914 -0.138 0.000 3.398 771 V HA 0.656 4.775 4.120 -0.000 0.000 0.298 771 V C 0.590 176.693 176.094 0.014 0.000 1.496 771 V CA 0.686 62.980 62.300 -0.010 0.000 1.044 771 V CB -0.443 31.409 31.823 0.048 0.000 0.880 771 V HN 1.363 nan 8.190 nan 0.000 0.443 772 G N 0.088 108.880 108.800 -0.013 0.000 2.570 772 G HA2 0.652 4.612 3.960 -0.000 0.000 0.310 772 G HA3 0.652 4.612 3.960 -0.000 0.000 0.310 772 G C -1.674 173.292 174.900 0.110 0.000 1.266 772 G CA -0.139 44.991 45.100 0.050 0.000 0.825 772 G HN 1.034 nan 8.290 nan 0.000 0.483 773 Y N -2.331 117.997 120.300 0.047 0.000 2.620 773 Y HA 0.627 5.177 4.550 -0.000 0.000 0.331 773 Y C -0.759 175.201 175.900 0.100 0.000 1.173 773 Y CA -1.556 56.559 58.100 0.026 0.000 1.076 773 Y CB 0.860 39.320 38.460 -0.000 0.000 1.336 773 Y HN 0.521 nan 8.280 nan 0.000 0.459 774 V N 3.136 123.174 119.914 0.207 0.000 2.479 774 V HA 0.134 4.254 4.120 -0.000 0.000 0.281 774 V C 0.970 177.214 176.094 0.251 0.000 1.031 774 V CA 0.927 63.325 62.300 0.163 0.000 1.038 774 V CB 0.537 32.465 31.823 0.175 0.000 0.981 774 V HN 1.135 nan 8.190 nan 0.000 0.478 775 T N 1.789 116.427 114.554 0.140 0.000 2.914 775 T HA 0.099 4.449 4.350 -0.000 0.000 0.240 775 T C 0.793 175.601 174.700 0.181 0.000 1.025 775 T CA 0.307 62.517 62.100 0.184 0.000 1.198 775 T CB 0.096 69.016 68.868 0.086 0.000 0.892 775 T HN 0.502 nan 8.240 nan 0.000 0.417 776 S N 0.676 116.467 115.700 0.151 0.000 2.621 776 S HA 0.848 5.318 4.470 -0.000 0.000 0.302 776 S C -0.648 174.060 174.600 0.180 0.000 1.093 776 S CA -0.419 57.873 58.200 0.154 0.000 1.017 776 S CB 1.585 64.838 63.200 0.089 0.000 1.077 776 S HN 0.992 nan 8.310 nan 0.000 0.517 777 A N 0.633 123.555 122.820 0.170 0.000 2.612 777 A HA 0.949 5.269 4.320 -0.000 0.000 0.293 777 A C -1.238 176.429 177.584 0.138 0.000 1.075 777 A CA -0.321 51.803 52.037 0.144 0.000 0.680 777 A CB 1.122 20.206 19.000 0.140 0.000 1.279 777 A HN 1.492 nan 8.150 nan 0.000 0.411 778 A N -0.331 122.541 122.820 0.087 0.000 2.566 778 A HA 0.616 4.936 4.320 -0.000 0.000 0.290 778 A C -1.814 175.766 177.584 -0.006 0.000 1.071 778 A CA -0.501 51.586 52.037 0.084 0.000 0.658 778 A CB 0.127 19.181 19.000 0.090 0.000 1.285 778 A HN 1.904 nan 8.150 nan 0.000 0.427 779 Y N 1.102 121.302 120.300 -0.167 0.000 2.359 779 Y HA 0.460 5.010 4.550 -0.000 0.000 0.334 779 Y C 0.962 176.537 175.900 -0.542 0.000 1.058 779 Y CA 0.706 58.607 58.100 -0.332 0.000 1.244 779 Y CB 0.990 39.218 38.460 -0.387 0.000 1.187 779 Y HN 0.861 nan 8.280 nan 0.000 0.510 780 G N 6.048 114.354 108.800 -0.824 0.000 2.444 780 G HA2 0.056 4.015 3.960 -0.000 0.000 0.303 780 G HA3 0.056 4.015 3.960 -0.000 0.000 0.303 780 G C -0.173 174.420 174.900 -0.513 0.000 1.032 780 G CA -0.304 44.469 45.100 -0.544 0.000 1.137 780 G HN 0.943 nan 8.290 nan 0.000 0.430 781 Y N 1.654 121.986 120.300 0.055 0.000 2.293 781 Y HA -0.143 4.407 4.550 -0.000 0.000 0.291 781 Y C 2.986 178.827 175.900 -0.099 0.000 1.137 781 Y CA 1.612 59.832 58.100 0.200 0.000 1.202 781 Y CB 0.049 38.767 38.460 0.429 0.000 0.990 781 Y HN 0.499 nan 8.280 nan 0.000 0.537 782 T N -0.668 113.869 114.554 -0.028 0.000 2.857 782 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 782 T C 1.909 176.418 174.700 -0.319 0.000 1.048 782 T CA 1.520 63.428 62.100 -0.321 0.000 1.139 782 T CB -0.638 68.118 68.868 -0.187 0.000 0.874 782 T HN 0.353 nan 8.240 nan 0.000 0.455 783 V N -1.026 118.744 119.914 -0.238 0.000 3.541 783 V HA 0.657 4.776 4.120 -0.000 0.000 0.267 783 V C 1.314 177.256 176.094 -0.255 0.000 1.213 783 V CA -0.103 62.064 62.300 -0.221 0.000 1.149 783 V CB -1.384 30.323 31.823 -0.192 0.000 0.822 783 V HN 0.499 nan 8.190 nan 0.000 0.462 784 A N 0.744 123.393 122.820 -0.286 0.000 2.687 784 A HA -0.184 4.136 4.320 -0.000 0.000 0.299 784 A C 0.371 177.773 177.584 -0.304 0.000 1.497 784 A CA 1.668 53.589 52.037 -0.193 0.000 0.751 784 A CB -2.149 16.792 19.000 -0.099 0.000 1.048 784 A HN 1.173 nan 8.150 nan 0.000 0.464 785 K N -2.722 117.248 120.400 -0.716 0.000 2.607 785 K HA 0.725 5.045 4.320 -0.000 0.000 0.287 785 K C -3.675 172.427 176.600 -0.830 0.000 0.996 785 K CA -2.097 53.819 56.287 -0.618 0.000 0.876 785 K CB 1.223 33.559 32.500 -0.273 0.000 1.496 785 K HN -0.012 nan 8.250 nan 0.000 0.415 786 P HA 0.307 nan 4.420 nan 0.000 0.275 786 P C -0.772 176.391 177.300 -0.228 0.000 1.228 786 P CA -0.224 62.718 63.100 -0.264 0.000 0.786 786 P CB 0.477 32.151 31.700 -0.043 0.000 0.927 787 I N 1.075 121.537 120.570 -0.179 0.000 2.646 787 I HA 0.770 4.940 4.170 -0.000 0.000 0.299 787 I C -0.294 175.786 176.117 -0.062 0.000 1.036 787 I CA -0.847 60.367 61.300 -0.143 0.000 1.074 787 I CB 2.242 40.164 38.000 -0.129 0.000 1.258 787 I HN 0.295 nan 8.210 nan 0.000 0.430 788 A N 4.111 126.878 122.820 -0.089 0.000 2.547 788 A HA 0.762 5.082 4.320 -0.000 0.000 0.297 788 A C -1.995 175.527 177.584 -0.103 0.000 1.056 788 A CA -0.379 51.651 52.037 -0.011 0.000 0.688 788 A CB 1.130 20.128 19.000 -0.003 0.000 1.282 788 A HN 0.547 nan 8.150 nan 0.000 0.400 789 Y N 0.462 120.723 120.300 -0.066 0.000 2.446 789 Y HA 0.748 5.298 4.550 -0.000 0.000 0.338 789 Y C 0.726 176.538 175.900 -0.147 0.000 1.055 789 Y CA 0.123 58.150 58.100 -0.122 0.000 1.101 789 Y CB 2.395 40.773 38.460 -0.136 0.000 1.221 789 Y HN 0.823 nan 8.280 nan 0.000 0.460 790 S N 1.936 117.580 115.700 -0.093 0.000 2.535 790 S HA 0.456 4.926 4.470 -0.000 0.000 0.272 790 S C -1.790 172.668 174.600 -0.237 0.000 1.149 790 S CA -0.698 57.403 58.200 -0.164 0.000 0.888 790 S CB 0.360 63.491 63.200 -0.116 0.000 1.110 790 S HN 0.449 nan 8.310 nan 0.000 0.463 791 Y N 2.908 123.083 120.300 -0.209 0.000 2.497 791 Y HA 0.480 5.029 4.550 -0.000 0.000 0.334 791 Y C 0.475 176.316 175.900 -0.099 0.000 1.199 791 Y CA 0.331 58.353 58.100 -0.129 0.000 1.425 791 Y CB 0.482 38.881 38.460 -0.100 0.000 1.291 791 Y HN 0.509 nan 8.280 nan 0.000 0.562 792 L N 4.579 125.834 121.223 0.053 0.000 2.424 792 L HA 0.449 4.788 4.340 -0.000 0.000 0.258 792 L C -2.577 174.299 176.870 0.009 0.000 0.995 792 L CA -2.523 52.314 54.840 -0.005 0.000 0.821 792 L CB 2.555 44.562 42.059 -0.087 0.000 1.383 792 L HN 0.357 nan 8.230 nan 0.000 0.410 793 P HA -0.036 nan 4.420 nan 0.000 0.264 793 P C 0.689 177.969 177.300 -0.033 0.000 1.179 793 P CA 0.267 63.361 63.100 -0.010 0.000 0.763 793 P CB 0.661 32.344 31.700 -0.028 0.000 0.806 794 G N 2.201 111.001 108.800 0.002 0.000 2.462 794 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 794 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 794 G C 1.440 176.322 174.900 -0.030 0.000 1.121 794 G CA 0.887 45.986 45.100 -0.001 0.000 0.758 794 G HN 0.415 nan 8.290 nan 0.000 0.559 795 T N 0.304 114.833 114.554 -0.041 0.000 2.803 795 T HA -0.031 4.318 4.350 -0.000 0.000 0.269 795 T C 1.235 175.863 174.700 -0.121 0.000 1.052 795 T CA 0.502 62.569 62.100 -0.054 0.000 1.136 795 T CB -0.108 68.742 68.868 -0.031 0.000 0.864 795 T HN 0.011 nan 8.240 nan 0.000 0.467 796 V N 2.171 121.954 119.914 -0.219 0.000 2.572 796 V HA 0.261 4.381 4.120 -0.000 0.000 0.291 796 V C 0.318 176.305 176.094 -0.179 0.000 1.039 796 V CA -0.236 61.862 62.300 -0.337 0.000 1.055 796 V CB 1.326 32.853 31.823 -0.492 0.000 0.969 796 V HN 0.207 nan 8.190 nan 0.000 0.482 797 S N 2.696 118.315 115.700 -0.135 0.000 2.664 797 S HA 0.559 5.029 4.470 -0.000 0.000 0.304 797 S C -0.247 174.310 174.600 -0.072 0.000 1.099 797 S CA -0.665 57.488 58.200 -0.078 0.000 1.003 797 S CB 1.941 65.115 63.200 -0.044 0.000 1.092 797 S HN 0.478 nan 8.310 nan 0.000 0.525 798 V N 2.050 121.928 119.914 -0.061 0.000 2.720 798 V HA 0.286 4.406 4.120 -0.000 0.000 0.307 798 V C 1.556 177.624 176.094 -0.044 0.000 1.071 798 V CA 1.777 64.041 62.300 -0.060 0.000 1.199 798 V CB -0.230 31.560 31.823 -0.055 0.000 0.900 798 V HN 1.316 nan 8.190 nan 0.000 0.494 799 G N 3.438 112.211 108.800 -0.044 0.000 2.241 799 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.244 799 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.244 799 G C 0.013 174.910 174.900 -0.004 0.000 0.998 799 G CA 0.092 45.176 45.100 -0.026 0.000 0.621 799 G HN 0.678 nan 8.290 nan 0.000 0.519 800 D N 0.693 121.094 120.400 0.001 0.000 2.368 800 D HA 0.494 5.134 4.640 -0.000 0.000 0.240 800 D C 0.435 176.779 176.300 0.072 0.000 1.169 800 D CA 0.742 54.778 54.000 0.060 0.000 0.906 800 D CB 1.424 42.253 40.800 0.048 0.000 1.187 800 D HN 0.192 nan 8.370 nan 0.000 0.435 801 S N -0.044 115.738 115.700 0.136 0.000 2.525 801 S HA 0.623 5.093 4.470 -0.000 0.000 0.290 801 S C -0.525 174.186 174.600 0.185 0.000 1.152 801 S CA -0.667 57.597 58.200 0.107 0.000 1.072 801 S CB 0.520 63.758 63.200 0.064 0.000 1.027 801 S HN 0.290 nan 8.310 nan 0.000 0.500 802 V N 1.414 121.407 119.914 0.132 0.000 3.130 802 V HA 0.743 4.863 4.120 -0.000 0.000 0.310 802 V C -1.459 174.708 176.094 0.122 0.000 1.158 802 V CA -1.049 61.355 62.300 0.173 0.000 1.029 802 V CB 2.076 33.991 31.823 0.154 0.000 1.057 802 V HN 0.672 nan 8.190 nan 0.000 0.436 803 D N 1.582 122.082 120.400 0.166 0.000 2.256 803 D HA 0.706 5.346 4.640 -0.000 0.000 0.246 803 D C -0.627 175.806 176.300 0.221 0.000 1.042 803 D CA 0.023 54.111 54.000 0.147 0.000 0.841 803 D CB 2.060 42.917 40.800 0.095 0.000 1.223 803 D HN 0.683 nan 8.370 nan 0.000 0.470 804 I N 1.135 121.803 120.570 0.162 0.000 2.378 804 I HA 0.214 4.383 4.170 -0.000 0.000 0.291 804 I C 0.358 176.592 176.117 0.195 0.000 0.992 804 I CA -0.751 60.659 61.300 0.184 0.000 1.154 804 I CB 1.724 39.794 38.000 0.118 0.000 1.315 804 I HN 0.152 nan 8.210 nan 0.000 0.448 805 E N 6.033 126.379 120.200 0.243 0.000 2.167 805 E HA 0.209 4.559 4.350 -0.000 0.000 0.284 805 E C -1.803 174.902 176.600 0.175 0.000 1.016 805 E CA -0.499 56.005 56.400 0.174 0.000 0.817 805 E CB 1.066 30.869 29.700 0.172 0.000 1.080 805 E HN 0.492 nan 8.360 nan 0.000 0.397 806 Y N 5.403 125.722 120.300 0.031 0.000 2.329 806 Y HA 0.234 4.784 4.550 -0.000 0.000 0.328 806 Y C -0.909 175.060 175.900 0.115 0.000 0.992 806 Y CA -1.053 57.080 58.100 0.056 0.000 1.151 806 Y CB 0.422 38.975 38.460 0.155 0.000 1.150 806 Y HN 0.711 nan 8.280 nan 0.000 0.450 807 F N 4.773 124.436 119.950 -0.479 0.000 2.970 807 F HA -0.222 4.305 4.527 -0.000 0.000 0.251 807 F C 1.494 177.161 175.800 -0.221 0.000 0.993 807 F CA 1.689 59.423 58.000 -0.442 0.000 0.869 807 F CB -1.129 37.511 39.000 -0.599 0.000 0.762 807 F HN 0.973 nan 8.300 nan 0.000 0.817 808 G N -0.185 108.556 108.800 -0.099 0.000 2.184 808 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.264 808 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.264 808 G C 0.424 175.313 174.900 -0.018 0.000 0.975 808 G CA 0.279 45.344 45.100 -0.059 0.000 0.642 808 G HN 0.714 nan 8.290 nan 0.000 0.536 809 R N 0.442 120.966 120.500 0.041 0.000 2.460 809 R HA 0.552 4.892 4.340 -0.000 0.000 0.303 809 R C 0.087 176.421 176.300 0.058 0.000 0.968 809 R CA -0.963 55.168 56.100 0.052 0.000 0.889 809 R CB 0.512 30.872 30.300 0.099 0.000 1.123 809 R HN 0.068 nan 8.270 nan 0.000 0.455 810 R N 4.664 125.165 120.500 0.002 0.000 2.298 810 R HA 0.286 4.626 4.340 -0.000 0.000 0.310 810 R C -0.290 176.029 176.300 0.031 0.000 1.068 810 R CA -0.217 55.880 56.100 -0.004 0.000 0.957 810 R CB 0.506 30.757 30.300 -0.082 0.000 1.003 810 R HN 0.574 nan 8.270 nan 0.000 0.454 811 I N 2.198 122.802 120.570 0.056 0.000 2.389 811 I HA 0.134 4.304 4.170 -0.000 0.000 0.288 811 I C 0.237 176.374 176.117 0.034 0.000 0.999 811 I CA -0.492 60.835 61.300 0.045 0.000 1.129 811 I CB 2.009 40.038 38.000 0.048 0.000 1.288 811 I HN 0.369 nan 8.210 nan 0.000 0.444 812 T N 5.733 120.297 114.554 0.018 0.000 2.870 812 T HA 0.522 4.872 4.350 -0.000 0.000 0.300 812 T C 0.107 174.810 174.700 0.004 0.000 0.989 812 T CA -0.329 61.780 62.100 0.014 0.000 1.139 812 T CB 0.881 69.751 68.868 0.004 0.000 0.920 812 T HN 0.698 nan 8.240 nan 0.000 0.537 813 A N 2.897 125.722 122.820 0.008 0.000 2.515 813 A HA 0.803 5.123 4.320 -0.000 0.000 0.296 813 A C -0.209 177.364 177.584 -0.018 0.000 1.094 813 A CA -0.870 51.157 52.037 -0.017 0.000 0.718 813 A CB 1.690 20.676 19.000 -0.024 0.000 1.307 813 A HN 0.660 nan 8.150 nan 0.000 0.408 814 T N 0.858 115.384 114.554 -0.047 0.000 2.829 814 T HA 0.502 4.852 4.350 -0.000 0.000 0.280 814 T C -0.355 174.295 174.700 -0.083 0.000 0.999 814 T CA -0.375 61.696 62.100 -0.048 0.000 0.983 814 T CB 1.395 70.233 68.868 -0.050 0.000 0.968 814 T HN 0.541 nan 8.240 nan 0.000 0.446 815 V N 4.048 123.916 119.914 -0.077 0.000 2.521 815 V HA 0.340 4.460 4.120 -0.000 0.000 0.286 815 V C 0.513 176.539 176.094 -0.113 0.000 1.034 815 V CA 0.104 62.336 62.300 -0.113 0.000 1.045 815 V CB 0.579 32.341 31.823 -0.102 0.000 0.974 815 V HN 1.008 nan 8.190 nan 0.000 0.480 816 T N 2.704 117.169 114.554 -0.149 0.000 2.900 816 T HA 0.265 4.615 4.350 -0.000 0.000 0.295 816 T C -0.424 174.197 174.700 -0.131 0.000 1.044 816 T CA -0.484 61.536 62.100 -0.132 0.000 0.995 816 T CB 1.879 70.659 68.868 -0.148 0.000 1.072 816 T HN 0.684 nan 8.240 nan 0.000 0.473 817 E N 2.338 122.478 120.200 -0.099 0.000 2.360 817 E HA 0.283 4.633 4.350 -0.000 0.000 0.269 817 E C -0.620 175.928 176.600 -0.086 0.000 1.022 817 E CA -0.669 55.682 56.400 -0.082 0.000 0.887 817 E CB 0.227 29.887 29.700 -0.068 0.000 0.990 817 E HN 0.736 nan 8.360 nan 0.000 0.426 818 D N 2.623 122.985 120.400 -0.063 0.000 2.299 818 D HA 0.502 5.142 4.640 -0.000 0.000 0.243 818 D C -2.209 174.053 176.300 -0.062 0.000 0.982 818 D CA -2.060 51.910 54.000 -0.050 0.000 0.924 818 D CB 0.634 41.452 40.800 0.029 0.000 1.238 818 D HN 0.363 nan 8.370 nan 0.000 0.484 819 P HA 0.165 nan 4.420 nan 0.000 0.275 819 P C 0.839 178.082 177.300 -0.096 0.000 1.228 819 P CA -0.501 62.530 63.100 -0.115 0.000 0.786 819 P CB 1.369 32.959 31.700 -0.183 0.000 0.927 820 L N 0.778 121.954 121.223 -0.079 0.000 2.131 820 L HA -0.077 4.263 4.340 -0.000 0.000 0.210 820 L C 1.101 177.964 176.870 -0.012 0.000 1.092 820 L CA 1.241 56.041 54.840 -0.065 0.000 0.759 820 L CB -0.508 41.502 42.059 -0.081 0.000 0.903 820 L HN 0.459 nan 8.230 nan 0.000 0.435 821 Y N 0.161 120.368 120.300 -0.155 0.000 2.364 821 Y HA 0.221 4.771 4.550 -0.000 0.000 0.340 821 Y C -0.036 175.780 175.900 -0.139 0.000 0.975 821 Y CA -1.373 56.646 58.100 -0.135 0.000 1.089 821 Y CB 0.975 39.357 38.460 -0.129 0.000 1.192 821 Y HN 0.062 nan 8.280 nan 0.000 0.454 822 D N 6.137 126.097 120.400 -0.734 0.000 2.737 822 D HA -0.157 4.483 4.640 -0.000 0.000 0.238 822 D C -1.946 174.141 176.300 -0.356 0.000 1.157 822 D CA 0.770 54.370 54.000 -0.666 0.000 0.694 822 D CB 0.104 40.328 40.800 -0.961 0.000 1.021 822 D HN 0.516 nan 8.370 nan 0.000 0.420 823 P HA -0.157 nan 4.420 nan 0.000 0.222 823 P C 0.999 178.195 177.300 -0.172 0.000 1.147 823 P CA 0.646 63.635 63.100 -0.185 0.000 0.790 823 P CB 0.260 31.873 31.700 -0.144 0.000 0.780 824 K N -0.607 119.686 120.400 -0.179 0.000 2.487 824 K HA 0.176 4.496 4.320 -0.000 0.000 0.192 824 K C 1.182 177.678 176.600 -0.173 0.000 1.027 824 K CA -0.260 55.935 56.287 -0.154 0.000 1.054 824 K CB -0.647 31.774 32.500 -0.132 0.000 0.824 824 K HN 0.208 nan 8.250 nan 0.000 0.510 825 M N 0.352 119.827 119.600 -0.209 0.000 2.751 825 M HA -0.229 4.250 4.480 -0.000 0.000 0.199 825 M C 0.913 177.086 176.300 -0.212 0.000 0.550 825 M CA 1.155 56.321 55.300 -0.222 0.000 0.640 825 M CB -2.219 30.241 32.600 -0.233 0.000 2.351 825 M HN 0.232 nan 8.290 nan 0.000 0.613 826 T N -2.587 111.853 114.554 -0.191 0.000 2.962 826 T HA -0.045 4.305 4.350 -0.000 0.000 0.270 826 T C 1.560 176.180 174.700 -0.132 0.000 1.088 826 T CA 0.924 62.935 62.100 -0.148 0.000 1.127 826 T CB -0.033 68.760 68.868 -0.127 0.000 0.883 826 T HN 0.508 nan 8.240 nan 0.000 0.493 827 R N 0.554 120.966 120.500 -0.146 0.000 2.193 827 R HA 0.319 4.659 4.340 -0.000 0.000 0.213 827 R C 2.193 178.431 176.300 -0.104 0.000 1.055 827 R CA 0.451 56.497 56.100 -0.089 0.000 0.995 827 R CB -0.626 29.654 30.300 -0.034 0.000 0.893 827 R HN 0.436 nan 8.270 nan 0.000 0.459 828 L N -0.475 120.644 121.223 -0.173 0.000 2.269 828 L HA 0.124 4.463 4.340 -0.000 0.000 0.200 828 L C 1.136 177.812 176.870 -0.324 0.000 1.069 828 L CA 0.321 55.012 54.840 -0.249 0.000 0.804 828 L CB 0.063 41.890 42.059 -0.387 0.000 0.987 828 L HN -0.069 nan 8.230 nan 0.000 0.468 829 R N 0.234 120.531 120.500 -0.339 0.000 2.573 829 R HA 0.467 4.806 4.340 -0.000 0.000 0.272 829 R C -0.029 176.204 176.300 -0.112 0.000 1.009 829 R CA 0.514 56.436 56.100 -0.297 0.000 1.059 829 R CB 1.194 31.313 30.300 -0.301 0.000 1.112 829 R HN 0.248 nan 8.270 nan 0.000 0.517 830 G N 0.000 108.781 108.800 -0.031 0.000 5.446 830 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 830 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 830 G CA 0.000 45.106 45.100 0.010 0.000 0.502 830 G HN 0.000 nan 8.290 nan 0.000 0.925