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 2iny_1_A DATA FIRST_RESID 1 DATA SEQUENCE TALTPDLTTA TPRLQYFHIA GPGTREYLSE DLQQFISATG SYFDLKNKFR DATA SEQUENCE QTVVAPTRNV TTEKAQRLQI RFYPIQTDDT PNSYRVRYSV NVGDSWVLDM DATA SEQUENCE GATYFDIKGV LDRGPSFKPY GGTAYNPLAP REAIFNTWVE STGPQTNVVG DATA SEQUENCE QMTNVYTNQT RNDKTATLQQ VNSISGVVPN VNLGPGLSQL ASRADVDNIG DATA SEQUENCE VVGRFAKVDS AGVKQAYGAY VKPVKDDGSQ SLNQTAYWLM DNGGTNYLGA DATA SEQUENCE LAVEDYTQTL SYPDTVLVTP PTAYQQVNSG TMRACRPNYI GFRDNFINLL DATA SEQUENCE YHDSGVCSGT LNSERSGMNV VVELQDRNTE LSYQYMLADM MSRHHYFALW DATA SEQUENCE NQAVDQYDHD VRVFNNDGYE EGVPTYAFLP DGHGAGEDNG PDLSNVKIYT DATA SEQUENCE NGQQDKGNVV AGTVSTQLNF GTIPSYEIDI AAATRRNFIM SNIADYLPDK DATA SEQUENCE YKFSIRGFDP VTDNIDPTTY FYMNRRVPLT NVVDLFTNIG ARWSVDQMDN DATA SEQUENCE VNPFNHHRNW GLKYRSQLLG NSRYCRFHIQ VPQKYFAIKN LLLLPGTYTY DATA SEQUENCE EWVLRKDPNM ILQSSLGNDL RADGAQIVYT EVNLMANFMP MDHNTSNQLE DATA SEQUENCE LMLRNATNDQ TFADYLGAKN ALYNVPAGST LLTINIPART WEGMRGWSFT DATA SEQUENCE RLKASETPQL GAQYDVGFKY SGSIPYSDGT FYLSHTFRSM SVLFDTSINW DATA SEQUENCE PGNDRLLTPN LFEIKRPVAT DSEGFTMSQC DMTKDWFLVQ MATNYNYVYN DATA SEQUENCE GYRFWPDRHY FHYDFLRNFD PMSRQGPNFL DTTLYDLVSS TPVVNDTGSQ DATA SEQUENCE PSQDNVRNNS GFIAPRSWPV WTAQQGEAWP ANWPYPLIGN DAISSNQTVN DATA SEQUENCE YKKFLCDNYL WTVPFSSDFM YMGELTDLGQ NPMYTNNSHS MVINFELDPM DATA SEQUENCE DENTYVYMLY GVFDTVRVNQ PERNVLAMAY FRTPFATGNA V 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.702 174.700 0.003 0.000 1.109 1 T CA 0.000 62.101 62.100 0.002 0.000 1.349 1 T CB 0.000 68.870 68.868 0.003 0.000 0.612 2 A N 4.600 127.421 122.820 0.003 0.000 2.265 2 A HA 0.437 4.756 4.320 -0.000 0.000 0.213 2 A C 0.718 178.305 177.584 0.004 0.000 1.255 2 A CA 0.085 52.124 52.037 0.003 0.000 0.862 2 A CB -0.350 18.652 19.000 0.003 0.000 0.852 2 A HN 0.802 nan 8.150 nan 0.000 0.484 3 L N 0.961 122.186 121.223 0.004 0.000 2.316 3 L HA 0.616 4.956 4.340 -0.000 0.000 0.280 3 L C -0.645 176.229 176.870 0.006 0.000 1.006 3 L CA -0.094 54.749 54.840 0.005 0.000 0.836 3 L CB 1.786 43.848 42.059 0.004 0.000 1.221 3 L HN 0.250 nan 8.230 nan 0.000 0.418 4 T N 1.602 116.160 114.554 0.006 0.000 3.097 4 T HA 0.572 4.922 4.350 -0.000 0.000 0.332 4 T C -2.854 171.851 174.700 0.008 0.000 1.269 4 T CA -1.099 61.006 62.100 0.008 0.000 1.076 4 T CB 1.513 70.386 68.868 0.008 0.000 1.209 4 T HN 0.372 nan 8.240 nan 0.000 0.474 5 P HA 0.341 nan 4.420 nan 0.000 0.281 5 P C 0.387 177.694 177.300 0.011 0.000 1.252 5 P CA -0.366 62.739 63.100 0.010 0.000 0.778 5 P CB 0.622 32.328 31.700 0.010 0.000 0.895 6 D N 1.810 122.215 120.400 0.009 0.000 2.429 6 D HA -0.104 4.536 4.640 -0.000 0.000 0.230 6 D C -0.308 175.999 176.300 0.011 0.000 1.005 6 D CA 0.804 54.810 54.000 0.010 0.000 0.963 6 D CB 0.010 40.815 40.800 0.008 0.000 0.872 6 D HN 0.069 nan 8.370 nan 0.000 0.524 7 L N 0.365 121.595 121.223 0.013 0.000 2.367 7 L HA 0.167 4.507 4.340 -0.000 0.000 0.263 7 L C -1.149 175.732 176.870 0.019 0.000 1.473 7 L CA -0.129 54.720 54.840 0.015 0.000 0.807 7 L CB 1.083 43.150 42.059 0.012 0.000 0.968 7 L HN -0.276 nan 8.230 nan 0.000 0.520 8 T N -0.787 113.781 114.554 0.022 0.000 2.779 8 T HA 0.455 4.804 4.350 -0.000 0.000 0.280 8 T C 0.412 175.136 174.700 0.039 0.000 0.987 8 T CA -0.248 61.868 62.100 0.028 0.000 0.966 8 T CB 1.624 70.506 68.868 0.024 0.000 0.933 8 T HN 0.367 nan 8.240 nan 0.000 0.442 9 T N 1.456 116.042 114.554 0.053 0.000 3.860 9 T HA -0.119 4.231 4.350 -0.000 0.000 0.378 9 T C 0.040 174.782 174.700 0.070 0.000 0.761 9 T CA 0.549 62.697 62.100 0.080 0.000 2.004 9 T CB -1.493 67.427 68.868 0.087 0.000 1.778 9 T HN 1.151 nan 8.240 nan 0.000 0.801 10 A N 1.474 124.326 122.820 0.053 0.000 2.299 10 A HA 0.844 5.164 4.320 -0.000 0.000 0.332 10 A C 1.635 179.241 177.584 0.037 0.000 1.131 10 A CA 0.547 52.608 52.037 0.041 0.000 0.844 10 A CB 0.579 19.595 19.000 0.027 0.000 1.251 10 A HN 1.206 nan 8.150 nan 0.000 0.486 11 T N 0.765 115.337 114.554 0.031 0.000 2.187 11 T HA -0.282 4.068 4.350 -0.000 0.000 0.159 11 T C -0.693 174.017 174.700 0.016 0.000 1.709 11 T CA 2.518 64.631 62.100 0.023 0.000 0.896 11 T CB -2.817 66.058 68.868 0.012 0.000 0.777 11 T HN 0.599 nan 8.240 nan 0.000 0.451 12 P HA -0.125 nan 4.420 nan 0.000 0.218 12 P C 1.685 178.971 177.300 -0.022 0.000 1.146 12 P CA 1.426 64.511 63.100 -0.025 0.000 0.820 12 P CB -0.075 31.599 31.700 -0.043 0.000 0.778 13 R N -0.567 119.948 120.500 0.026 0.000 2.056 13 R HA 0.050 4.390 4.340 -0.000 0.000 0.227 13 R C 2.288 178.672 176.300 0.139 0.000 1.149 13 R CA 1.168 57.325 56.100 0.094 0.000 0.937 13 R CB -1.604 28.794 30.300 0.163 0.000 0.835 13 R HN 0.279 nan 8.270 nan 0.000 0.430 14 L N 1.537 122.833 121.223 0.122 0.000 2.447 14 L HA -0.201 4.139 4.340 -0.000 0.000 0.225 14 L C 2.389 179.308 176.870 0.082 0.000 1.148 14 L CA 1.138 56.048 54.840 0.118 0.000 0.808 14 L CB -0.430 41.676 42.059 0.077 0.000 0.928 14 L HN 0.289 nan 8.230 nan 0.000 0.448 15 Q N -0.998 118.827 119.800 0.041 0.000 1.990 15 Q HA -0.178 4.162 4.340 -0.000 0.000 0.195 15 Q C 2.157 178.158 176.000 0.002 0.000 0.977 15 Q CA 1.196 57.004 55.803 0.008 0.000 0.828 15 Q CB -0.366 28.368 28.738 -0.007 0.000 0.896 15 Q HN 0.296 nan 8.270 nan 0.000 0.447 16 Y N 1.042 121.193 120.300 -0.248 0.000 2.102 16 Y HA -0.242 4.307 4.550 -0.000 0.000 0.280 16 Y C 1.188 176.911 175.900 -0.296 0.000 1.178 16 Y CA 1.367 59.233 58.100 -0.391 0.000 1.146 16 Y CB -0.336 37.672 38.460 -0.752 0.000 0.968 16 Y HN 0.049 nan 8.280 nan 0.000 0.504 17 F N 0.615 120.500 119.950 -0.109 0.000 2.696 17 F HA 0.182 4.709 4.527 -0.000 0.000 0.296 17 F C 0.413 176.150 175.800 -0.105 0.000 1.181 17 F CA 0.012 57.866 58.000 -0.243 0.000 1.411 17 F CB -1.801 37.104 39.000 -0.158 0.000 1.014 17 F HN 0.183 nan 8.300 nan 0.000 0.512 18 H N -0.171 118.859 119.070 -0.068 0.000 2.506 18 H HA -0.181 4.375 4.556 -0.000 0.000 0.323 18 H C 0.885 176.223 175.328 0.017 0.000 1.076 18 H CA -0.159 55.842 56.048 -0.078 0.000 1.108 18 H CB -0.863 28.863 29.762 -0.058 0.000 1.569 18 H HN 0.267 nan 8.280 nan 0.000 0.399 19 I N -1.410 119.250 120.570 0.149 0.000 4.139 19 I HA 0.313 4.483 4.170 -0.000 0.000 0.335 19 I C 1.515 177.681 176.117 0.082 0.000 1.327 19 I CA 1.106 62.474 61.300 0.114 0.000 1.112 19 I CB 0.372 38.451 38.000 0.131 0.000 1.058 19 I HN 0.523 nan 8.210 nan 0.000 0.396 20 A N -0.248 122.613 122.820 0.067 0.000 4.978 20 A HA 0.678 4.997 4.320 -0.000 0.000 0.137 20 A C 0.959 178.558 177.584 0.025 0.000 0.956 20 A CA 0.290 52.353 52.037 0.045 0.000 1.577 20 A CB -0.578 18.447 19.000 0.041 0.000 2.444 20 A HN 0.290 nan 8.150 nan 0.000 1.089 21 G N 0.380 109.190 108.800 0.017 0.000 2.661 21 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.327 21 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.327 21 G C -1.685 173.233 174.900 0.031 0.000 1.320 21 G CA 0.777 45.882 45.100 0.009 0.000 0.997 21 G HN 1.196 nan 8.290 nan 0.000 0.543 22 P HA 0.540 nan 4.420 nan 0.000 0.287 22 P C 0.546 177.971 177.300 0.207 0.000 1.270 22 P CA 0.428 63.594 63.100 0.109 0.000 0.844 22 P CB 1.195 32.968 31.700 0.121 0.000 1.068 23 G N 0.254 109.133 108.800 0.133 0.000 2.631 23 G HA2 0.178 4.138 3.960 -0.000 0.000 0.271 23 G HA3 0.178 4.138 3.960 -0.000 0.000 0.271 23 G C 1.256 176.173 174.900 0.029 0.000 1.302 23 G CA 0.317 45.490 45.100 0.122 0.000 1.002 23 G HN 0.588 nan 8.290 nan 0.000 0.519 24 T N -1.809 112.625 114.554 -0.199 0.000 2.803 24 T HA -0.210 4.140 4.350 -0.000 0.000 0.269 24 T C 2.097 176.261 174.700 -0.894 0.000 1.052 24 T CA 1.659 63.169 62.100 -0.984 0.000 1.136 24 T CB -0.206 68.413 68.868 -0.414 0.000 0.864 24 T HN 0.682 nan 8.240 nan 0.000 0.467 25 R N 1.555 121.807 120.500 -0.412 0.000 2.119 25 R HA 0.127 4.466 4.340 -0.000 0.000 0.222 25 R C 1.885 178.048 176.300 -0.227 0.000 1.088 25 R CA 1.091 57.014 56.100 -0.294 0.000 0.984 25 R CB -0.433 29.768 30.300 -0.165 0.000 0.884 25 R HN 0.431 nan 8.270 nan 0.000 0.447 26 E N 0.557 120.662 120.200 -0.159 0.000 2.511 26 E HA -0.110 4.240 4.350 -0.000 0.000 0.196 26 E C 0.372 176.978 176.600 0.009 0.000 1.066 26 E CA 0.851 57.222 56.400 -0.048 0.000 0.871 26 E CB 0.140 29.851 29.700 0.017 0.000 0.863 26 E HN 0.686 nan 8.360 nan 0.000 0.520 27 Y N -2.523 117.721 120.300 -0.092 0.000 2.459 27 Y HA 0.327 4.877 4.550 -0.000 0.000 0.271 27 Y C 0.395 176.230 175.900 -0.108 0.000 1.063 27 Y CA -0.538 57.502 58.100 -0.099 0.000 1.216 27 Y CB 0.146 38.524 38.460 -0.135 0.000 1.335 27 Y HN -0.215 nan 8.280 nan 0.000 0.550 28 L N 2.018 122.940 121.223 -0.502 0.000 2.439 28 L HA 0.177 4.517 4.340 -0.000 0.000 0.269 28 L C 0.819 177.583 176.870 -0.177 0.000 1.179 28 L CA -0.230 54.386 54.840 -0.373 0.000 0.828 28 L CB 1.101 42.803 42.059 -0.595 0.000 1.106 28 L HN 0.313 nan 8.230 nan 0.000 0.467 29 S N 1.508 117.139 115.700 -0.114 0.000 2.575 29 S HA -0.094 4.376 4.470 -0.000 0.000 0.295 29 S C 1.063 175.621 174.600 -0.071 0.000 1.267 29 S CA -0.291 57.876 58.200 -0.055 0.000 1.074 29 S CB 0.486 63.672 63.200 -0.024 0.000 0.829 29 S HN 0.640 nan 8.310 nan 0.000 0.497 30 E N 3.585 123.757 120.200 -0.046 0.000 2.114 30 E HA -0.179 4.170 4.350 -0.000 0.000 0.199 30 E C 1.368 177.950 176.600 -0.029 0.000 1.008 30 E CA 2.119 58.493 56.400 -0.043 0.000 0.810 30 E CB -0.129 29.556 29.700 -0.025 0.000 0.739 30 E HN 0.827 nan 8.360 nan 0.000 0.456 31 D N -1.513 118.880 120.400 -0.012 0.000 2.249 31 D HA -0.073 4.566 4.640 -0.000 0.000 0.205 31 D C 1.739 178.056 176.300 0.029 0.000 0.962 31 D CA 0.295 54.301 54.000 0.010 0.000 0.860 31 D CB -0.043 40.765 40.800 0.013 0.000 0.955 31 D HN 0.173 nan 8.370 nan 0.000 0.505 32 L N 0.786 122.011 121.223 0.003 0.000 2.043 32 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 32 L C 1.843 178.704 176.870 -0.014 0.000 1.075 32 L CA 1.809 56.654 54.840 0.008 0.000 0.752 32 L CB -0.990 41.015 42.059 -0.089 0.000 0.891 32 L HN 0.065 nan 8.230 nan 0.000 0.432 33 Q N -0.392 119.363 119.800 -0.076 0.000 2.014 33 Q HA -0.261 4.079 4.340 -0.000 0.000 0.207 33 Q C 2.065 178.049 176.000 -0.028 0.000 0.993 33 Q CA 1.627 57.375 55.803 -0.092 0.000 0.850 33 Q CB -0.938 27.742 28.738 -0.097 0.000 0.916 33 Q HN 0.595 nan 8.270 nan 0.000 0.417 34 Q N 0.317 120.128 119.800 0.019 0.000 1.549 34 Q HA -0.188 4.151 4.340 -0.000 0.000 0.504 34 Q C 1.853 177.918 176.000 0.108 0.000 1.004 34 Q CA 1.480 57.319 55.803 0.060 0.000 0.880 34 Q CB -1.174 27.611 28.738 0.078 0.000 0.946 34 Q HN 0.394 nan 8.270 nan 0.000 0.377 35 F N 1.158 121.110 119.950 0.003 0.000 2.071 35 F HA -0.335 4.192 4.527 -0.000 0.000 0.291 35 F C 2.075 177.894 175.800 0.033 0.000 1.070 35 F CA 1.810 59.821 58.000 0.019 0.000 1.262 35 F CB -0.743 38.267 39.000 0.016 0.000 0.983 35 F HN 0.279 nan 8.300 nan 0.000 0.493 36 I N 0.648 121.082 120.570 -0.226 0.000 2.143 36 I HA -0.403 3.767 4.170 -0.000 0.000 0.245 36 I C 2.617 178.594 176.117 -0.233 0.000 1.068 36 I CA 2.389 63.497 61.300 -0.320 0.000 1.326 36 I CB -1.610 36.295 38.000 -0.158 0.000 1.028 36 I HN 0.499 nan 8.210 nan 0.000 0.412 37 S N 0.467 116.100 115.700 -0.112 0.000 2.439 37 S HA 0.146 4.616 4.470 -0.000 0.000 0.224 37 S C 1.967 176.560 174.600 -0.011 0.000 1.029 37 S CA 0.425 58.592 58.200 -0.055 0.000 0.946 37 S CB -0.325 62.860 63.200 -0.026 0.000 0.797 37 S HN 0.378 nan 8.310 nan 0.000 0.504 38 A N 1.735 124.572 122.820 0.029 0.000 2.264 38 A HA 0.234 4.553 4.320 -0.000 0.000 0.207 38 A C 1.711 179.407 177.584 0.188 0.000 1.196 38 A CA 1.229 53.338 52.037 0.119 0.000 0.778 38 A CB -0.814 18.290 19.000 0.173 0.000 0.779 38 A HN 0.804 nan 8.150 nan 0.000 0.483 39 T N -7.203 107.385 114.554 0.058 0.000 3.416 39 T HA 0.181 4.531 4.350 -0.000 0.000 0.298 39 T C 1.364 175.898 174.700 -0.277 0.000 0.874 39 T CA 0.737 62.845 62.100 0.013 0.000 0.901 39 T CB -0.578 68.267 68.868 -0.040 0.000 1.215 39 T HN 0.352 nan 8.240 nan 0.000 0.677 40 G N 2.055 110.778 108.800 -0.128 0.000 2.625 40 G HA2 0.026 3.986 3.960 -0.000 0.000 0.214 40 G HA3 0.026 3.986 3.960 -0.000 0.000 0.214 40 G C 1.323 176.231 174.900 0.013 0.000 1.132 40 G CA 0.789 45.826 45.100 -0.106 0.000 0.782 40 G HN 0.732 nan 8.290 nan 0.000 0.538 41 S N -0.036 115.764 115.700 0.167 0.000 2.786 41 S HA 0.150 4.620 4.470 -0.000 0.000 0.223 41 S C 0.622 175.514 174.600 0.486 0.000 0.956 41 S CA 0.455 58.828 58.200 0.287 0.000 0.961 41 S CB -0.595 62.781 63.200 0.293 0.000 0.784 41 S HN 1.069 nan 8.310 nan 0.000 0.519 42 Y N -3.777 116.571 120.300 0.079 0.000 3.578 42 Y HA 0.410 4.960 4.550 -0.000 0.000 0.283 42 Y C -0.444 175.584 175.900 0.213 0.000 0.845 42 Y CA -1.706 56.459 58.100 0.108 0.000 1.251 42 Y CB -0.942 37.574 38.460 0.094 0.000 1.284 42 Y HN 0.164 nan 8.280 nan 0.000 0.655 43 F N 1.794 121.540 119.950 -0.340 0.000 2.481 43 F HA 0.436 4.963 4.527 -0.000 0.000 0.386 43 F C -0.014 175.668 175.800 -0.196 0.000 1.454 43 F CA -1.199 56.626 58.000 -0.292 0.000 1.092 43 F CB -0.118 38.606 39.000 -0.460 0.000 1.346 43 F HN 0.113 nan 8.300 nan 0.000 0.511 44 D N 2.477 122.702 120.400 -0.291 0.000 4.428 44 D HA -0.159 4.481 4.640 -0.000 0.000 0.170 44 D C 0.612 176.626 176.300 -0.476 0.000 1.041 44 D CA 1.513 55.327 54.000 -0.311 0.000 0.673 44 D CB 0.495 41.169 40.800 -0.209 0.000 1.183 44 D HN 0.593 nan 8.370 nan 0.000 0.623 45 L N 3.077 124.110 121.223 -0.316 0.000 3.888 45 L HA 0.057 4.397 4.340 -0.000 0.000 0.369 45 L C 1.048 177.865 176.870 -0.088 0.000 1.200 45 L CA -0.339 54.350 54.840 -0.251 0.000 1.268 45 L CB 0.217 42.165 42.059 -0.185 0.000 1.573 45 L HN 0.214 nan 8.230 nan 0.000 0.632 46 K N 2.262 122.614 120.400 -0.080 0.000 2.914 46 K HA 0.018 4.338 4.320 -0.000 0.000 0.246 46 K C 0.683 177.278 176.600 -0.007 0.000 0.949 46 K CA 0.398 56.679 56.287 -0.011 0.000 1.136 46 K CB -0.376 32.103 32.500 -0.034 0.000 0.976 46 K HN 0.566 nan 8.250 nan 0.000 0.473 47 N N -1.066 117.598 118.700 -0.059 0.000 2.496 47 N HA -0.067 4.673 4.740 -0.000 0.000 0.262 47 N C 0.300 175.680 175.510 -0.216 0.000 0.981 47 N CA -0.193 52.802 53.050 -0.090 0.000 0.903 47 N CB -0.074 38.340 38.487 -0.121 0.000 1.737 47 N HN -0.110 nan 8.380 nan 0.000 0.715 48 K N 0.880 120.977 120.400 -0.506 0.000 3.032 48 K HA -0.032 4.288 4.320 -0.000 0.000 0.233 48 K C -0.933 174.814 176.600 -1.422 0.000 0.779 48 K CA 0.698 56.446 56.287 -0.899 0.000 0.962 48 K CB -1.013 30.889 32.500 -0.997 0.000 0.823 48 K HN 0.318 nan 8.250 nan 0.000 0.444 49 F N 0.215 120.234 119.950 0.115 0.000 3.348 49 F HA 0.123 4.650 4.527 -0.000 0.000 0.367 49 F C -0.417 175.555 175.800 0.287 0.000 1.214 49 F CA -1.223 56.955 58.000 0.297 0.000 1.323 49 F CB 0.512 39.670 39.000 0.263 0.000 1.721 49 F HN -0.094 nan 8.300 nan 0.000 0.733 50 R N 1.310 122.078 120.500 0.448 0.000 2.349 50 R HA 0.541 4.881 4.340 -0.000 0.000 0.299 50 R C -0.853 175.661 176.300 0.355 0.000 1.027 50 R CA -0.790 55.488 56.100 0.296 0.000 0.958 50 R CB 1.146 31.537 30.300 0.150 0.000 1.047 50 R HN 0.710 nan 8.270 nan 0.000 0.468 51 Q N 1.792 121.729 119.800 0.229 0.000 2.963 51 Q HA 0.085 4.425 4.340 -0.000 0.000 0.262 51 Q C -0.185 175.892 176.000 0.128 0.000 1.318 51 Q CA -0.382 55.535 55.803 0.190 0.000 1.089 51 Q CB 0.859 29.668 28.738 0.118 0.000 1.424 51 Q HN 0.675 nan 8.270 nan 0.000 0.560 52 T N 0.287 114.923 114.554 0.136 0.000 2.781 52 T HA -0.088 4.262 4.350 -0.000 0.000 0.270 52 T C 1.023 175.763 174.700 0.068 0.000 1.022 52 T CA -0.153 62.003 62.100 0.093 0.000 1.144 52 T CB 0.257 69.182 68.868 0.096 0.000 1.039 52 T HN 0.347 nan 8.240 nan 0.000 0.494 53 V N 5.977 125.920 119.914 0.049 0.000 2.190 53 V HA 0.483 4.603 4.120 -0.000 0.000 0.151 53 V C 1.443 177.558 176.094 0.034 0.000 0.855 53 V CA 0.695 63.016 62.300 0.036 0.000 1.290 53 V CB -0.833 31.005 31.823 0.024 0.000 0.772 53 V HN 1.125 nan 8.190 nan 0.000 0.437 54 V N -2.204 117.725 119.914 0.026 0.000 2.118 54 V HA 0.419 4.539 4.120 -0.000 0.000 0.331 54 V C -1.207 174.898 176.094 0.018 0.000 1.660 54 V CA -0.466 61.849 62.300 0.024 0.000 0.783 54 V CB 0.125 31.964 31.823 0.027 0.000 1.151 54 V HN 1.758 nan 8.190 nan 0.000 0.222 55 A N 5.004 127.834 122.820 0.016 0.000 2.515 55 A HA 1.063 5.383 4.320 -0.000 0.000 0.296 55 A C -2.898 174.694 177.584 0.013 0.000 1.094 55 A CA -0.873 51.171 52.037 0.012 0.000 0.718 55 A CB 1.987 20.992 19.000 0.009 0.000 1.307 55 A HN 1.043 nan 8.150 nan 0.000 0.408 56 P HA 0.243 nan 4.420 nan 0.000 0.276 56 P C 0.091 177.398 177.300 0.012 0.000 1.230 56 P CA 0.212 63.319 63.100 0.012 0.000 0.776 56 P CB 1.025 32.731 31.700 0.011 0.000 0.888 57 T N 0.506 115.068 114.554 0.014 0.000 3.331 57 T HA 0.356 4.706 4.350 -0.000 0.000 0.282 57 T C 0.288 174.998 174.700 0.016 0.000 1.010 57 T CA -0.668 61.441 62.100 0.014 0.000 0.928 57 T CB -0.201 68.676 68.868 0.014 0.000 1.154 57 T HN 0.559 nan 8.240 nan 0.000 0.516 58 R N -0.133 120.377 120.500 0.016 0.000 2.817 58 R HA 0.557 4.897 4.340 -0.000 0.000 0.268 58 R C -0.461 175.852 176.300 0.021 0.000 1.027 58 R CA -1.080 55.031 56.100 0.019 0.000 0.928 58 R CB -0.107 30.203 30.300 0.018 0.000 1.228 58 R HN 0.051 nan 8.270 nan 0.000 0.469 59 N N -0.960 117.756 118.700 0.026 0.000 2.649 59 N HA -0.264 4.476 4.740 -0.000 0.000 0.255 59 N C 0.355 175.882 175.510 0.027 0.000 0.991 59 N CA 1.323 54.392 53.050 0.031 0.000 0.814 59 N CB -1.456 37.049 38.487 0.030 0.000 0.960 59 N HN 0.448 nan 8.380 nan 0.000 0.551 60 V N -3.322 116.606 119.914 0.024 0.000 2.785 60 V HA 0.180 4.300 4.120 -0.000 0.000 0.226 60 V C 1.409 177.513 176.094 0.016 0.000 1.127 60 V CA 1.088 63.397 62.300 0.015 0.000 1.193 60 V CB -0.635 31.194 31.823 0.010 0.000 0.926 60 V HN 0.457 nan 8.190 nan 0.000 0.507 61 T N -0.090 114.475 114.554 0.018 0.000 2.862 61 T HA 0.355 4.705 4.350 -0.000 0.000 0.276 61 T C 0.139 174.866 174.700 0.045 0.000 0.974 61 T CA 0.296 62.407 62.100 0.019 0.000 0.966 61 T CB 1.478 70.352 68.868 0.009 0.000 1.072 61 T HN 0.569 nan 8.240 nan 0.000 0.538 62 T N 0.225 114.812 114.554 0.055 0.000 2.847 62 T HA 0.384 4.734 4.350 -0.000 0.000 0.279 62 T C 0.494 175.229 174.700 0.059 0.000 0.984 62 T CA -0.240 61.917 62.100 0.096 0.000 0.988 62 T CB 0.948 69.900 68.868 0.139 0.000 1.040 62 T HN 0.712 nan 8.240 nan 0.000 0.528 63 E N -0.094 120.139 120.200 0.055 0.000 2.367 63 E HA 0.197 4.547 4.350 -0.000 0.000 0.204 63 E C -0.142 176.474 176.600 0.027 0.000 0.840 63 E CA 0.269 56.688 56.400 0.031 0.000 1.051 63 E CB 0.276 29.989 29.700 0.022 0.000 1.051 63 E HN 0.539 nan 8.360 nan 0.000 0.509 64 K N 1.073 121.487 120.400 0.024 0.000 2.297 64 K HA 0.525 4.845 4.320 -0.000 0.000 0.286 64 K C -0.157 176.481 176.600 0.063 0.000 1.053 64 K CA -0.429 55.873 56.287 0.025 0.000 0.940 64 K CB 0.954 33.447 32.500 -0.013 0.000 1.019 64 K HN -0.007 nan 8.250 nan 0.000 0.475 65 A N 3.288 126.144 122.820 0.059 0.000 2.563 65 A HA -0.091 4.229 4.320 -0.000 0.000 0.256 65 A C 0.486 178.147 177.584 0.128 0.000 1.056 65 A CA 0.442 52.521 52.037 0.071 0.000 0.775 65 A CB -0.318 18.718 19.000 0.059 0.000 0.973 65 A HN 0.883 nan 8.150 nan 0.000 0.516 66 Q N 1.929 121.789 119.800 0.099 0.000 3.018 66 Q HA 0.624 4.963 4.340 -0.000 0.000 0.209 66 Q C -0.541 175.449 176.000 -0.016 0.000 1.036 66 Q CA -0.835 55.032 55.803 0.107 0.000 0.886 66 Q CB 1.026 29.708 28.738 -0.092 0.000 2.058 66 Q HN 0.735 nan 8.270 nan 0.000 0.452 67 R N 1.552 121.856 120.500 -0.328 0.000 2.467 67 R HA 0.301 4.641 4.340 -0.000 0.000 0.299 67 R C 0.570 176.682 176.300 -0.314 0.000 1.120 67 R CA -0.076 55.870 56.100 -0.257 0.000 0.940 67 R CB 0.848 31.088 30.300 -0.100 0.000 1.161 67 R HN 0.640 nan 8.270 nan 0.000 0.506 68 L N 1.352 122.486 121.223 -0.149 0.000 2.083 68 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 68 L C 0.945 177.803 176.870 -0.020 0.000 1.083 68 L CA 1.552 56.349 54.840 -0.072 0.000 0.752 68 L CB -0.143 41.891 42.059 -0.041 0.000 0.899 68 L HN 0.543 nan 8.230 nan 0.000 0.433 69 Q N -0.295 119.468 119.800 -0.063 0.000 2.377 69 Q HA 0.635 4.975 4.340 -0.000 0.000 0.279 69 Q C -1.482 174.431 176.000 -0.146 0.000 1.049 69 Q CA -0.786 54.983 55.803 -0.056 0.000 0.825 69 Q CB 2.470 31.200 28.738 -0.014 0.000 1.401 69 Q HN -0.021 nan 8.270 nan 0.000 0.404 70 I N 1.179 121.603 120.570 -0.243 0.000 2.533 70 I HA 0.440 4.610 4.170 -0.000 0.000 0.290 70 I C -0.741 175.079 176.117 -0.496 0.000 1.056 70 I CA -0.650 60.439 61.300 -0.352 0.000 1.057 70 I CB 2.254 39.967 38.000 -0.478 0.000 1.240 70 I HN 0.695 nan 8.210 nan 0.000 0.423 71 R N 5.438 125.730 120.500 -0.347 0.000 2.207 71 R HA 0.528 4.868 4.340 -0.000 0.000 0.334 71 R C -1.541 174.605 176.300 -0.257 0.000 1.013 71 R CA -0.229 55.653 56.100 -0.363 0.000 0.858 71 R CB 0.443 30.545 30.300 -0.330 0.000 1.094 71 R HN 0.290 nan 8.270 nan 0.000 0.457 72 F N 4.061 123.855 119.950 -0.261 0.000 2.394 72 F HA 0.314 4.841 4.527 -0.000 0.000 0.340 72 F C -0.250 175.458 175.800 -0.154 0.000 1.105 72 F CA -0.942 56.953 58.000 -0.175 0.000 1.124 72 F CB 0.685 39.602 39.000 -0.138 0.000 1.145 72 F HN 0.416 nan 8.300 nan 0.000 0.505 73 Y N 3.787 124.252 120.300 0.276 0.000 2.342 73 Y HA 0.367 4.918 4.550 0.000 0.000 0.334 73 Y C -1.734 174.349 175.900 0.306 0.000 1.067 73 Y CA -2.554 55.685 58.100 0.232 0.000 1.128 73 Y CB 0.593 39.134 38.460 0.134 0.000 1.200 73 Y HN 0.384 nan 8.280 nan 0.000 0.464 74 P HA 0.035 nan 4.420 nan 0.000 0.272 74 P C 0.085 177.413 177.300 0.046 0.000 1.248 74 P CA 0.268 63.444 63.100 0.127 0.000 0.799 74 P CB 1.347 32.934 31.700 -0.189 0.000 0.997 75 I N -2.791 117.736 120.570 -0.072 0.000 4.228 75 I HA 0.172 4.342 4.170 -0.000 0.000 0.298 75 I C 0.784 176.850 176.117 -0.085 0.000 1.206 75 I CA 0.651 61.921 61.300 -0.049 0.000 1.322 75 I CB -1.223 36.758 38.000 -0.032 0.000 1.411 75 I HN 0.278 nan 8.210 nan 0.000 0.454 76 Q N 2.357 122.071 119.800 -0.142 0.000 2.464 76 Q HA 0.405 4.745 4.340 -0.000 0.000 0.256 76 Q C -0.210 175.671 176.000 -0.198 0.000 1.020 76 Q CA -0.060 55.661 55.803 -0.137 0.000 0.716 76 Q CB 1.470 30.139 28.738 -0.116 0.000 1.230 76 Q HN 0.284 nan 8.270 nan 0.000 0.494 77 T N 1.683 116.144 114.554 -0.156 0.000 2.900 77 T HA 0.493 4.843 4.350 -0.000 0.000 0.326 77 T C -0.828 173.805 174.700 -0.113 0.000 1.145 77 T CA 0.419 62.422 62.100 -0.163 0.000 0.963 77 T CB 0.284 69.123 68.868 -0.047 0.000 1.512 77 T HN 0.785 nan 8.240 nan 0.000 0.552 78 D N 0.309 120.686 120.400 -0.038 0.000 3.440 78 D HA 0.083 4.723 4.640 -0.000 0.000 0.120 78 D C -1.729 174.619 176.300 0.080 0.000 0.836 78 D CA -0.276 53.722 54.000 -0.004 0.000 2.013 78 D CB -0.510 40.257 40.800 -0.055 0.000 0.724 78 D HN 0.528 nan 8.370 nan 0.000 0.909 79 D N 0.897 121.384 120.400 0.144 0.000 2.354 79 D HA 0.714 5.354 4.640 -0.000 0.000 0.247 79 D C 0.320 176.675 176.300 0.092 0.000 1.138 79 D CA 0.339 54.455 54.000 0.194 0.000 0.958 79 D CB 1.198 42.085 40.800 0.146 0.000 1.144 79 D HN 0.266 nan 8.370 nan 0.000 0.458 80 T N -1.870 112.734 114.554 0.083 0.000 2.618 80 T HA 0.511 4.861 4.350 -0.000 0.000 0.293 80 T C -2.323 172.383 174.700 0.012 0.000 1.093 80 T CA -0.818 61.301 62.100 0.032 0.000 1.061 80 T CB 1.377 70.260 68.868 0.024 0.000 1.498 80 T HN 0.269 nan 8.240 nan 0.000 0.494 81 P HA 0.217 nan 4.420 nan 0.000 0.245 81 P C 0.342 177.609 177.300 -0.055 0.000 1.203 81 P CA 0.752 63.823 63.100 -0.048 0.000 0.792 81 P CB -0.214 31.442 31.700 -0.075 0.000 0.997 82 N N -1.267 117.418 118.700 -0.025 0.000 2.036 82 N HA 0.014 4.754 4.740 -0.000 0.000 0.228 82 N C -0.184 175.423 175.510 0.163 0.000 1.368 82 N CA -0.199 52.859 53.050 0.013 0.000 0.846 82 N CB 0.398 38.832 38.487 -0.088 0.000 1.145 82 N HN -0.102 nan 8.380 nan 0.000 0.502 83 S N -1.278 114.529 115.700 0.179 0.000 2.745 83 S HA 0.579 5.049 4.470 -0.000 0.000 0.306 83 S C -1.446 173.350 174.600 0.326 0.000 1.137 83 S CA -0.681 57.696 58.200 0.295 0.000 0.900 83 S CB 1.642 64.939 63.200 0.163 0.000 1.176 83 S HN 0.228 nan 8.310 nan 0.000 0.520 84 Y N 0.373 120.756 120.300 0.139 0.000 2.364 84 Y HA 0.451 5.001 4.550 -0.000 0.000 0.326 84 Y C -0.680 175.212 175.900 -0.013 0.000 1.178 84 Y CA -0.702 57.447 58.100 0.082 0.000 1.422 84 Y CB 0.556 39.127 38.460 0.185 0.000 1.178 84 Y HN 0.956 nan 8.280 nan 0.000 0.475 85 R N 2.700 123.109 120.500 -0.150 0.000 2.531 85 R HA 0.796 5.136 4.340 -0.000 0.000 0.273 85 R C -1.087 174.913 176.300 -0.500 0.000 1.070 85 R CA -0.083 55.844 56.100 -0.287 0.000 1.112 85 R CB 0.998 31.175 30.300 -0.206 0.000 1.049 85 R HN 0.436 nan 8.270 nan 0.000 0.508 86 V N 0.868 120.465 119.914 -0.528 0.000 2.610 86 V HA 0.451 4.571 4.120 -0.000 0.000 0.288 86 V C -0.719 174.976 176.094 -0.666 0.000 1.055 86 V CA -0.909 60.971 62.300 -0.700 0.000 0.902 86 V CB 1.591 32.841 31.823 -0.955 0.000 1.030 86 V HN 0.763 nan 8.190 nan 0.000 0.448 87 R N 3.892 124.079 120.500 -0.522 0.000 2.272 87 R HA 0.485 4.825 4.340 -0.000 0.000 0.334 87 R C -1.174 174.910 176.300 -0.359 0.000 1.117 87 R CA -0.153 55.745 56.100 -0.337 0.000 0.966 87 R CB 0.461 30.647 30.300 -0.189 0.000 1.049 87 R HN 0.773 nan 8.270 nan 0.000 0.477 88 Y N -0.019 120.249 120.300 -0.053 0.000 2.488 88 Y HA 0.323 4.873 4.550 -0.000 0.000 0.325 88 Y C 0.718 176.651 175.900 0.055 0.000 1.204 88 Y CA -0.583 57.510 58.100 -0.010 0.000 1.229 88 Y CB 1.901 40.361 38.460 0.001 0.000 1.274 88 Y HN 0.307 nan 8.280 nan 0.000 0.493 89 S N 0.429 116.227 115.700 0.164 0.000 2.536 89 S HA 0.839 5.308 4.470 -0.000 0.000 0.287 89 S C -1.832 172.681 174.600 -0.145 0.000 1.101 89 S CA -0.539 57.688 58.200 0.045 0.000 0.950 89 S CB 0.856 64.039 63.200 -0.029 0.000 1.056 89 S HN 0.371 nan 8.310 nan 0.000 0.481 90 V N 4.343 124.236 119.914 -0.035 0.000 2.668 90 V HA 0.482 4.602 4.120 -0.000 0.000 0.304 90 V C -0.518 175.580 176.094 0.007 0.000 1.071 90 V CA -0.986 61.274 62.300 -0.067 0.000 0.894 90 V CB 1.960 33.974 31.823 0.318 0.000 1.008 90 V HN 0.869 nan 8.190 nan 0.000 0.425 91 N N 2.478 121.182 118.700 0.006 0.000 2.466 91 N HA 0.679 5.419 4.740 -0.000 0.000 0.294 91 N C -1.069 174.526 175.510 0.143 0.000 1.129 91 N CA -0.351 52.690 53.050 -0.016 0.000 0.931 91 N CB 2.041 40.484 38.487 -0.074 0.000 1.193 91 N HN 0.414 nan 8.380 nan 0.000 0.500 92 V N 1.618 121.557 119.914 0.041 0.000 2.326 92 V HA 0.497 4.617 4.120 -0.000 0.000 0.281 92 V C 0.989 177.156 176.094 0.122 0.000 1.015 92 V CA -1.129 61.302 62.300 0.218 0.000 0.823 92 V CB 0.751 32.638 31.823 0.106 0.000 1.009 92 V HN 0.802 nan 8.190 nan 0.000 0.436 93 G N 3.139 112.035 108.800 0.160 0.000 2.287 93 G HA2 0.026 3.985 3.960 -0.000 0.000 0.235 93 G HA3 0.026 3.985 3.960 -0.000 0.000 0.235 93 G C -0.022 174.865 174.900 -0.022 0.000 1.258 93 G CA -0.134 44.765 45.100 -0.336 0.000 0.884 93 G HN 0.696 nan 8.290 nan 0.000 0.518 94 D N 1.036 121.370 120.400 -0.109 0.000 2.488 94 D HA 0.069 4.709 4.640 -0.000 0.000 0.238 94 D C 1.216 177.602 176.300 0.143 0.000 1.138 94 D CA 0.921 54.934 54.000 0.022 0.000 0.873 94 D CB 0.749 41.549 40.800 -0.000 0.000 1.183 94 D HN 0.435 nan 8.370 nan 0.000 0.458 95 S N 0.070 115.868 115.700 0.164 0.000 3.445 95 S HA -0.223 4.247 4.470 -0.000 0.000 0.319 95 S C -0.306 174.387 174.600 0.155 0.000 1.209 95 S CA 0.748 59.024 58.200 0.127 0.000 0.934 95 S CB -0.873 62.495 63.200 0.280 0.000 0.999 95 S HN 0.439 nan 8.310 nan 0.000 0.582 96 W N 0.379 121.664 121.300 -0.026 0.000 2.719 96 W HA 0.668 5.328 4.660 -0.000 0.000 0.352 96 W C -0.273 176.288 176.519 0.070 0.000 1.085 96 W CA -0.732 56.648 57.345 0.058 0.000 1.187 96 W CB 1.394 30.970 29.460 0.193 0.000 1.417 96 W HN 0.237 nan 8.180 nan 0.000 0.557 97 V N 1.649 121.693 119.914 0.216 0.000 2.891 97 V HA 0.766 4.886 4.120 -0.000 0.000 0.304 97 V C -1.877 174.105 176.094 -0.186 0.000 1.171 97 V CA -1.046 61.285 62.300 0.051 0.000 0.943 97 V CB 1.187 33.017 31.823 0.012 0.000 1.037 97 V HN 0.456 nan 8.190 nan 0.000 0.427 98 L N 2.894 123.965 121.223 -0.253 0.000 2.333 98 L HA 0.979 5.319 4.340 -0.000 0.000 0.263 98 L C -1.030 175.710 176.870 -0.216 0.000 1.014 98 L CA 0.026 54.580 54.840 -0.477 0.000 0.820 98 L CB 2.143 43.768 42.059 -0.723 0.000 1.352 98 L HN 1.119 nan 8.230 nan 0.000 0.421 99 D N 3.032 123.306 120.400 -0.209 0.000 2.593 99 D HA 0.272 4.912 4.640 -0.000 0.000 0.251 99 D C 0.383 176.625 176.300 -0.098 0.000 1.140 99 D CA -0.460 53.475 54.000 -0.108 0.000 0.855 99 D CB 1.157 41.906 40.800 -0.085 0.000 1.267 99 D HN 0.474 nan 8.370 nan 0.000 0.532 100 M N 3.000 122.549 119.600 -0.084 0.000 2.771 100 M HA 0.102 4.582 4.480 -0.000 0.000 0.246 100 M C 1.643 177.887 176.300 -0.092 0.000 1.054 100 M CA 0.550 55.798 55.300 -0.086 0.000 1.068 100 M CB -1.155 31.378 32.600 -0.112 0.000 1.452 100 M HN 0.679 nan 8.290 nan 0.000 0.549 101 G N -0.060 108.695 108.800 -0.076 0.000 2.511 101 G HA2 0.173 4.133 3.960 -0.000 0.000 0.217 101 G HA3 0.173 4.133 3.960 -0.000 0.000 0.217 101 G C 0.780 175.692 174.900 0.021 0.000 1.133 101 G CA 0.469 45.543 45.100 -0.044 0.000 0.792 101 G HN 0.555 nan 8.290 nan 0.000 0.539 102 A N 1.267 124.098 122.820 0.018 0.000 3.249 102 A HA 0.599 4.919 4.320 -0.000 0.000 0.297 102 A C 0.185 177.861 177.584 0.152 0.000 1.302 102 A CA -0.012 52.078 52.037 0.087 0.000 1.074 102 A CB -0.414 18.611 19.000 0.042 0.000 1.132 102 A HN 0.417 nan 8.150 nan 0.000 0.575 103 T N -1.196 113.473 114.554 0.190 0.000 3.509 103 T HA 0.488 4.838 4.350 -0.000 0.000 0.330 103 T C -0.712 174.041 174.700 0.089 0.000 0.851 103 T CA -0.442 61.740 62.100 0.137 0.000 1.057 103 T CB -0.882 68.007 68.868 0.036 0.000 1.023 103 T HN 0.494 nan 8.240 nan 0.000 0.470 104 Y N 0.325 120.566 120.300 -0.098 0.000 2.487 104 Y HA 0.863 5.413 4.550 -0.000 0.000 0.337 104 Y C -0.894 174.943 175.900 -0.106 0.000 1.076 104 Y CA -2.203 55.824 58.100 -0.122 0.000 1.115 104 Y CB 1.026 39.593 38.460 0.177 0.000 1.235 104 Y HN 0.299 nan 8.280 nan 0.000 0.468 105 F N 1.652 121.589 119.950 -0.022 0.000 2.375 105 F HA 0.171 4.698 4.527 -0.000 0.000 0.362 105 F C 0.098 175.852 175.800 -0.077 0.000 1.129 105 F CA -1.195 56.736 58.000 -0.114 0.000 1.154 105 F CB 0.273 39.217 39.000 -0.093 0.000 1.205 105 F HN 0.567 nan 8.300 nan 0.000 0.513 106 D N 4.751 125.188 120.400 0.062 0.000 2.441 106 D HA 0.105 4.745 4.640 -0.000 0.000 0.243 106 D C 0.662 177.050 176.300 0.146 0.000 1.257 106 D CA 0.037 54.095 54.000 0.097 0.000 1.027 106 D CB 0.103 40.906 40.800 0.005 0.000 1.084 106 D HN 0.120 nan 8.370 nan 0.000 0.514 107 I N 1.639 122.308 120.570 0.164 0.000 3.363 107 I HA 0.196 4.366 4.170 -0.000 0.000 0.234 107 I C 0.644 176.964 176.117 0.338 0.000 1.263 107 I CA 0.068 61.490 61.300 0.203 0.000 0.921 107 I CB -0.186 37.941 38.000 0.213 0.000 1.614 107 I HN 0.412 nan 8.210 nan 0.000 0.879 108 K N -0.019 120.595 120.400 0.356 0.000 2.473 108 K HA 0.339 4.659 4.320 -0.000 0.000 0.378 108 K C -1.104 175.238 176.600 -0.431 0.000 1.508 108 K CA 0.196 56.479 56.287 -0.007 0.000 1.218 108 K CB -0.210 32.193 32.500 -0.162 0.000 1.434 108 K HN 1.075 nan 8.250 nan 0.000 0.454 109 G N 1.307 109.225 108.800 -1.470 0.000 2.510 109 G HA2 0.604 4.564 3.960 -0.000 0.000 0.277 109 G HA3 0.604 4.564 3.960 -0.000 0.000 0.277 109 G C -1.510 172.640 174.900 -1.250 0.000 1.223 109 G CA -0.115 44.306 45.100 -1.132 0.000 0.887 109 G HN 0.398 nan 8.290 nan 0.000 0.485 110 V N 0.239 119.796 119.914 -0.595 0.000 3.046 110 V HA 0.912 5.032 4.120 -0.000 0.000 0.316 110 V C -0.372 175.624 176.094 -0.162 0.000 1.104 110 V CA -0.628 61.425 62.300 -0.412 0.000 1.006 110 V CB 1.690 33.258 31.823 -0.424 0.000 1.058 110 V HN 1.597 nan 8.190 nan 0.000 0.440 111 L N 0.923 121.921 121.223 -0.376 0.000 4.078 111 L HA 0.426 4.766 4.340 -0.000 0.000 0.259 111 L C -1.478 175.250 176.870 -0.237 0.000 1.029 111 L CA -0.485 54.224 54.840 -0.220 0.000 1.313 111 L CB 1.184 43.229 42.059 -0.023 0.000 2.018 111 L HN 0.756 nan 8.230 nan 0.000 0.667 112 D N 2.809 123.205 120.400 -0.007 0.000 2.382 112 D HA 0.211 4.851 4.640 -0.000 0.000 0.245 112 D C 0.820 177.182 176.300 0.103 0.000 1.120 112 D CA 0.001 54.217 54.000 0.361 0.000 0.890 112 D CB 1.518 42.663 40.800 0.575 0.000 1.201 112 D HN 0.640 nan 8.370 nan 0.000 0.433 113 R N 1.671 122.217 120.500 0.076 0.000 2.313 113 R HA 0.309 4.649 4.340 -0.000 0.000 0.199 113 R C 1.120 177.451 176.300 0.051 0.000 0.958 113 R CA 0.624 56.700 56.100 -0.041 0.000 1.047 113 R CB -0.120 30.073 30.300 -0.179 0.000 0.955 113 R HN 0.730 nan 8.270 nan 0.000 0.481 114 G N 0.017 108.879 108.800 0.103 0.000 2.601 114 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.224 114 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.224 114 G C -2.178 172.798 174.900 0.126 0.000 1.171 114 G CA -0.122 45.041 45.100 0.106 0.000 1.009 114 G HN 0.151 nan 8.290 nan 0.000 0.589 115 P HA 0.213 nan 4.420 nan 0.000 0.322 115 P C 0.889 178.255 177.300 0.110 0.000 1.268 115 P CA 1.589 64.750 63.100 0.103 0.000 1.064 115 P CB 1.017 32.767 31.700 0.083 0.000 1.565 116 S N -1.066 114.759 115.700 0.208 0.000 2.572 116 S HA 0.220 4.690 4.470 -0.000 0.000 0.228 116 S C 0.182 174.985 174.600 0.338 0.000 0.963 116 S CA -0.534 57.883 58.200 0.362 0.000 0.939 116 S CB -1.012 62.538 63.200 0.582 0.000 0.804 116 S HN -0.067 nan 8.310 nan 0.000 0.480 117 F N 3.428 123.419 119.950 0.070 0.000 2.464 117 F HA 0.456 4.983 4.527 -0.000 0.000 0.353 117 F C 0.347 176.093 175.800 -0.089 0.000 1.191 117 F CA -1.230 56.766 58.000 -0.006 0.000 1.147 117 F CB 0.105 39.091 39.000 -0.023 0.000 1.294 117 F HN 0.021 nan 8.300 nan 0.000 0.583 118 K N 8.731 128.887 120.400 -0.406 0.000 2.360 118 K HA 0.282 4.602 4.320 -0.000 0.000 0.235 118 K C -1.897 174.126 176.600 -0.963 0.000 1.077 118 K CA -1.934 53.988 56.287 -0.608 0.000 1.035 118 K CB 0.651 33.076 32.500 -0.124 0.000 1.623 118 K HN 0.310 nan 8.250 nan 0.000 0.462 119 P HA -0.115 nan 4.420 nan 0.000 0.250 119 P C -0.908 175.966 177.300 -0.710 0.000 1.239 119 P CA 0.641 63.038 63.100 -1.171 0.000 0.756 119 P CB -0.178 30.893 31.700 -1.047 0.000 1.013 120 Y N -2.604 117.404 120.300 -0.487 0.000 2.790 120 Y HA 0.772 5.322 4.550 -0.000 0.000 0.323 120 Y C 0.345 176.130 175.900 -0.190 0.000 1.230 120 Y CA -3.001 54.945 58.100 -0.256 0.000 1.121 120 Y CB -0.178 38.173 38.460 -0.181 0.000 1.328 120 Y HN -0.205 nan 8.280 nan 0.000 0.514 121 G N 0.027 108.932 108.800 0.175 0.000 2.319 121 G HA2 0.529 4.489 3.960 -0.000 0.000 0.308 121 G HA3 0.529 4.489 3.960 -0.000 0.000 0.308 121 G C 0.430 175.369 174.900 0.064 0.000 1.117 121 G CA 0.010 45.193 45.100 0.139 0.000 0.903 121 G HN 1.346 nan 8.290 nan 0.000 0.436 122 G N 1.748 110.604 108.800 0.093 0.000 2.582 122 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.300 122 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.300 122 G C 0.866 175.721 174.900 -0.074 0.000 1.300 122 G CA 0.284 45.420 45.100 0.059 0.000 0.959 122 G HN 1.388 nan 8.290 nan 0.000 0.548 123 T N 0.502 115.031 114.554 -0.042 0.000 2.770 123 T HA 0.256 4.605 4.350 -0.000 0.000 0.287 123 T C 1.479 175.870 174.700 -0.514 0.000 1.025 123 T CA 1.504 63.509 62.100 -0.158 0.000 1.143 123 T CB -0.045 68.788 68.868 -0.058 0.000 1.077 123 T HN 1.804 nan 8.240 nan 0.000 0.476 124 A N 4.201 126.661 122.820 -0.599 0.000 2.666 124 A HA 0.408 4.728 4.320 -0.000 0.000 0.221 124 A C 0.606 177.732 177.584 -0.763 0.000 2.097 124 A CA 0.090 51.495 52.037 -1.052 0.000 0.835 124 A CB -0.816 17.731 19.000 -0.755 0.000 1.409 124 A HN 0.808 nan 8.150 nan 0.000 0.531 125 Y N 0.545 120.642 120.300 -0.337 0.000 2.527 125 Y HA 0.033 4.583 4.550 -0.000 0.000 0.461 125 Y C 1.279 176.991 175.900 -0.314 0.000 1.330 125 Y CA 0.297 58.225 58.100 -0.287 0.000 2.062 125 Y CB -0.389 37.907 38.460 -0.273 0.000 1.757 125 Y HN 0.479 nan 8.280 nan 0.000 0.696 126 N N 2.348 120.989 118.700 -0.098 0.000 1.763 126 N HA -0.170 4.570 4.740 -0.000 0.000 0.337 126 N C -2.031 173.257 175.510 -0.370 0.000 1.240 126 N CA 0.563 53.488 53.050 -0.208 0.000 0.785 126 N CB 0.578 38.930 38.487 -0.225 0.000 1.003 126 N HN 0.356 nan 8.380 nan 0.000 0.508 127 P HA 0.117 nan 4.420 nan 0.000 0.326 127 P C 1.117 178.669 177.300 0.420 0.000 1.190 127 P CA 0.009 63.203 63.100 0.157 0.000 1.076 127 P CB 1.022 32.754 31.700 0.053 0.000 1.454 128 L N 0.635 121.998 121.223 0.233 0.000 2.226 128 L HA 0.361 4.700 4.340 -0.000 0.000 0.218 128 L C 1.123 178.135 176.870 0.237 0.000 1.162 128 L CA 0.443 55.391 54.840 0.179 0.000 2.417 128 L CB -1.654 40.460 42.059 0.092 0.000 2.139 128 L HN -0.122 nan 8.230 nan 0.000 1.037 129 A N 1.363 124.276 122.820 0.156 0.000 2.422 129 A HA -0.105 4.214 4.320 -0.000 0.000 0.299 129 A C -2.012 175.684 177.584 0.187 0.000 0.872 129 A CA -0.575 51.543 52.037 0.136 0.000 1.207 129 A CB -1.594 17.477 19.000 0.117 0.000 0.708 129 A HN 0.285 nan 8.150 nan 0.000 0.356 130 P HA -0.119 nan 4.420 nan 0.000 0.277 130 P C 0.223 177.465 177.300 -0.098 0.000 1.388 130 P CA 0.507 63.530 63.100 -0.128 0.000 1.019 130 P CB 0.195 31.828 31.700 -0.111 0.000 1.111 131 R N -0.258 120.147 120.500 -0.159 0.000 4.306 131 R HA 0.174 4.514 4.340 -0.000 0.000 0.266 131 R C 0.727 176.983 176.300 -0.073 0.000 1.624 131 R CA -0.124 55.921 56.100 -0.092 0.000 1.487 131 R CB -0.210 29.999 30.300 -0.151 0.000 1.441 131 R HN 0.429 nan 8.270 nan 0.000 0.750 132 E N 0.855 121.024 120.200 -0.051 0.000 2.469 132 E HA 0.668 5.018 4.350 -0.000 0.000 0.246 132 E C -1.057 175.476 176.600 -0.112 0.000 0.969 132 E CA -0.714 55.639 56.400 -0.079 0.000 0.881 132 E CB 1.675 31.344 29.700 -0.052 0.000 1.320 132 E HN 0.163 nan 8.360 nan 0.000 0.421 133 A N 0.410 123.108 122.820 -0.204 0.000 2.437 133 A HA 0.603 4.923 4.320 -0.000 0.000 0.288 133 A C 0.514 177.697 177.584 -0.668 0.000 1.201 133 A CA -0.638 51.202 52.037 -0.328 0.000 0.795 133 A CB 0.380 19.191 19.000 -0.314 0.000 1.359 133 A HN 0.524 nan 8.150 nan 0.000 0.435 134 I N -3.162 116.999 120.570 -0.683 0.000 3.545 134 I HA 0.505 4.675 4.170 -0.000 0.000 0.207 134 I C -0.690 174.504 176.117 -1.538 0.000 1.437 134 I CA -0.523 60.197 61.300 -0.966 0.000 0.700 134 I CB -0.823 36.952 38.000 -0.374 0.000 1.832 134 I HN 0.372 nan 8.210 nan 0.000 0.908 135 F N 1.188 121.149 119.950 0.019 0.000 2.691 135 F HA 0.380 4.907 4.527 -0.000 0.000 0.371 135 F C 0.578 176.305 175.800 -0.122 0.000 1.159 135 F CA -0.845 57.086 58.000 -0.115 0.000 1.174 135 F CB -0.064 38.835 39.000 -0.168 0.000 1.419 135 F HN 0.549 nan 8.300 nan 0.000 0.514 136 N N -0.005 118.640 118.700 -0.093 0.000 2.605 136 N HA 0.401 5.141 4.740 -0.000 0.000 0.277 136 N C -0.505 174.987 175.510 -0.030 0.000 1.355 136 N CA -0.578 52.442 53.050 -0.049 0.000 0.849 136 N CB 0.189 38.622 38.487 -0.089 0.000 1.111 136 N HN 0.107 nan 8.380 nan 0.000 0.441 137 T N 0.044 114.595 114.554 -0.006 0.000 2.864 137 T HA 0.115 4.465 4.350 -0.000 0.000 0.310 137 T C -1.422 173.340 174.700 0.103 0.000 1.040 137 T CA -0.380 61.763 62.100 0.071 0.000 0.977 137 T CB 0.050 68.965 68.868 0.078 0.000 0.976 137 T HN 0.298 nan 8.240 nan 0.000 0.459 138 W N 5.179 126.487 121.300 0.013 0.000 2.565 138 W HA 0.320 4.980 4.660 -0.000 0.000 0.325 138 W C -0.757 175.772 176.519 0.016 0.000 1.408 138 W CA -0.566 56.784 57.345 0.009 0.000 1.350 138 W CB -0.028 29.438 29.460 0.010 0.000 1.426 138 W HN 0.280 nan 8.180 nan 0.000 0.538 139 V N 6.023 126.191 119.914 0.422 0.000 2.384 139 V HA 0.012 4.132 4.120 -0.000 0.000 0.257 139 V C -0.359 175.884 176.094 0.247 0.000 0.969 139 V CA -0.624 61.822 62.300 0.245 0.000 0.910 139 V CB 0.777 32.676 31.823 0.127 0.000 1.150 139 V HN 0.355 nan 8.190 nan 0.000 0.481 140 E N 3.066 123.439 120.200 0.288 0.000 2.035 140 E HA 0.634 4.984 4.350 -0.000 0.000 0.271 140 E C -0.332 176.308 176.600 0.066 0.000 0.953 140 E CA -0.003 56.519 56.400 0.202 0.000 0.777 140 E CB 0.930 30.802 29.700 0.288 0.000 1.104 140 E HN 0.685 nan 8.360 nan 0.000 0.408 141 S N 1.568 117.298 115.700 0.050 0.000 2.570 141 S HA 0.192 4.661 4.470 -0.000 0.000 0.286 141 S C 0.810 175.411 174.600 0.003 0.000 1.143 141 S CA -0.274 57.934 58.200 0.013 0.000 0.921 141 S CB 0.646 63.846 63.200 -0.000 0.000 1.108 141 S HN 0.419 nan 8.310 nan 0.000 0.456 142 T N 1.017 115.568 114.554 -0.005 0.000 2.555 142 T HA 0.418 4.768 4.350 -0.000 0.000 0.264 142 T C 1.378 176.054 174.700 -0.040 0.000 1.083 142 T CA 1.284 63.374 62.100 -0.017 0.000 1.179 142 T CB -1.302 67.558 68.868 -0.014 0.000 0.863 142 T HN 2.545 nan 8.240 nan 0.000 0.412 143 G N 1.245 110.024 108.800 -0.036 0.000 2.423 143 G HA2 0.284 4.244 3.960 -0.000 0.000 0.684 143 G HA3 0.284 4.244 3.960 -0.000 0.000 0.684 143 G C -2.996 171.878 174.900 -0.043 0.000 1.309 143 G CA -0.731 44.343 45.100 -0.044 0.000 0.950 143 G HN 0.578 nan 8.290 nan 0.000 0.587 144 P HA 0.308 nan 4.420 nan 0.000 0.273 144 P C -0.186 177.090 177.300 -0.040 0.000 1.252 144 P CA 0.008 63.085 63.100 -0.038 0.000 0.809 144 P CB 0.351 32.031 31.700 -0.035 0.000 1.017 145 Q N -1.108 118.671 119.800 -0.034 0.000 2.587 145 Q HA 0.466 4.806 4.340 -0.000 0.000 0.293 145 Q C -0.618 175.366 176.000 -0.027 0.000 1.083 145 Q CA -0.393 55.391 55.803 -0.031 0.000 0.792 145 Q CB 1.345 30.066 28.738 -0.028 0.000 1.484 145 Q HN 0.490 nan 8.270 nan 0.000 0.446 146 T N -0.982 113.560 114.554 -0.021 0.000 3.427 146 T HA 0.443 4.792 4.350 -0.000 0.000 0.306 146 T C -0.216 174.475 174.700 -0.015 0.000 1.733 146 T CA -0.703 61.387 62.100 -0.017 0.000 1.599 146 T CB -0.504 68.356 68.868 -0.012 0.000 0.964 146 T HN 0.538 nan 8.240 nan 0.000 0.701 147 N N -0.166 118.522 118.700 -0.020 0.000 2.629 147 N HA 0.330 5.070 4.740 -0.000 0.000 0.279 147 N C -0.842 174.653 175.510 -0.024 0.000 1.344 147 N CA -0.968 52.070 53.050 -0.020 0.000 0.789 147 N CB 1.468 39.940 38.487 -0.024 0.000 1.508 147 N HN 0.063 nan 8.380 nan 0.000 0.516 148 V N 1.302 121.202 119.914 -0.024 0.000 2.416 148 V HA 0.051 4.171 4.120 -0.000 0.000 0.267 148 V C 1.249 177.319 176.094 -0.040 0.000 1.007 148 V CA 0.234 62.519 62.300 -0.025 0.000 1.102 148 V CB -0.912 30.899 31.823 -0.020 0.000 1.035 148 V HN 0.643 nan 8.190 nan 0.000 0.473 149 V N 2.605 122.496 119.914 -0.038 0.000 5.036 149 V HA 0.580 4.700 4.120 -0.000 0.000 0.136 149 V C 1.324 177.397 176.094 -0.035 0.000 1.061 149 V CA 0.486 62.753 62.300 -0.054 0.000 1.300 149 V CB -0.313 31.476 31.823 -0.057 0.000 1.903 149 V HN 0.596 nan 8.190 nan 0.000 0.543 150 G N 2.239 111.026 108.800 -0.023 0.000 2.734 150 G HA2 0.459 4.419 3.960 -0.000 0.000 0.287 150 G HA3 0.459 4.419 3.960 -0.000 0.000 0.287 150 G C -0.233 174.668 174.900 0.001 0.000 0.728 150 G CA 0.237 45.332 45.100 -0.007 0.000 1.999 150 G HN 0.525 nan 8.290 nan 0.000 0.535 151 Q N 0.786 120.592 119.800 0.009 0.000 2.633 151 Q HA 0.627 4.967 4.340 -0.000 0.000 0.208 151 Q C 1.418 177.430 176.000 0.021 0.000 1.010 151 Q CA -0.883 54.928 55.803 0.014 0.000 0.982 151 Q CB 0.697 29.444 28.738 0.016 0.000 1.334 151 Q HN 0.349 nan 8.270 nan 0.000 0.508 152 M N -0.430 119.182 119.600 0.020 0.000 2.171 152 M HA 0.002 4.482 4.480 -0.000 0.000 0.260 152 M C 0.979 177.295 176.300 0.027 0.000 1.087 152 M CA 2.206 57.517 55.300 0.020 0.000 1.154 152 M CB 0.072 32.680 32.600 0.014 0.000 1.331 152 M HN 0.789 nan 8.290 nan 0.000 0.431 153 T N -4.059 110.512 114.554 0.029 0.000 3.186 153 T HA 0.311 4.661 4.350 -0.000 0.000 0.292 153 T C 0.861 175.587 174.700 0.044 0.000 0.915 153 T CA -0.022 62.098 62.100 0.034 0.000 0.902 153 T CB -0.575 68.306 68.868 0.021 0.000 1.192 153 T HN 0.175 nan 8.240 nan 0.000 0.563 154 N N 2.542 121.266 118.700 0.041 0.000 2.022 154 N HA 0.097 4.837 4.740 -0.000 0.000 0.195 154 N C 0.671 176.222 175.510 0.069 0.000 1.063 154 N CA 1.755 54.830 53.050 0.042 0.000 0.851 154 N CB -0.183 38.320 38.487 0.026 0.000 1.050 154 N HN 0.584 nan 8.380 nan 0.000 0.425 155 V N -1.784 118.171 119.914 0.070 0.000 2.789 155 V HA 0.526 4.646 4.120 -0.000 0.000 0.311 155 V C -1.230 174.930 176.094 0.110 0.000 1.073 155 V CA -1.457 60.901 62.300 0.097 0.000 0.921 155 V CB 1.033 32.854 31.823 -0.003 0.000 1.009 155 V HN 0.343 nan 8.190 nan 0.000 0.426 156 Y N 0.928 121.226 120.300 -0.003 0.000 2.335 156 Y HA 0.742 5.292 4.550 -0.000 0.000 0.331 156 Y C 0.390 176.288 175.900 -0.004 0.000 1.094 156 Y CA -0.722 57.376 58.100 -0.003 0.000 1.253 156 Y CB 0.717 39.176 38.460 -0.003 0.000 1.203 156 Y HN 0.843 nan 8.280 nan 0.000 0.508 157 T N 3.714 118.255 114.554 -0.021 0.000 2.829 157 T HA 0.375 4.725 4.350 -0.000 0.000 0.282 157 T C 0.268 174.953 174.700 -0.024 0.000 0.990 157 T CA -0.530 61.519 62.100 -0.085 0.000 1.028 157 T CB 0.397 69.238 68.868 -0.045 0.000 0.951 157 T HN 0.853 nan 8.240 nan 0.000 0.460 158 N N 2.605 121.273 118.700 -0.053 0.000 2.173 158 N HA 0.181 4.920 4.740 -0.000 0.000 0.195 158 N C -0.231 175.278 175.510 -0.003 0.000 1.049 158 N CA 0.284 53.331 53.050 -0.004 0.000 0.977 158 N CB -0.019 38.457 38.487 -0.018 0.000 1.163 158 N HN 0.553 nan 8.380 nan 0.000 0.505 159 Q N -0.016 119.777 119.800 -0.013 0.000 2.310 159 Q HA 0.383 4.722 4.340 -0.000 0.000 0.270 159 Q C -1.435 174.553 176.000 -0.020 0.000 1.025 159 Q CA -0.485 55.311 55.803 -0.011 0.000 0.772 159 Q CB 1.341 30.075 28.738 -0.008 0.000 1.253 159 Q HN 0.502 nan 8.270 nan 0.000 0.450 160 T N 1.215 115.757 114.554 -0.019 0.000 3.256 160 T HA 0.629 4.979 4.350 -0.000 0.000 0.249 160 T C -0.147 174.541 174.700 -0.021 0.000 0.975 160 T CA -0.663 61.423 62.100 -0.023 0.000 1.011 160 T CB -0.023 68.831 68.868 -0.024 0.000 1.127 160 T HN 0.366 nan 8.240 nan 0.000 0.543 161 R N 1.798 122.286 120.500 -0.019 0.000 2.673 161 R HA 0.595 4.935 4.340 -0.000 0.000 0.281 161 R C -1.209 175.080 176.300 -0.019 0.000 0.991 161 R CA -0.563 55.526 56.100 -0.019 0.000 0.896 161 R CB 1.021 31.311 30.300 -0.016 0.000 1.201 161 R HN 0.359 nan 8.270 nan 0.000 0.457 162 N N 1.478 120.166 118.700 -0.020 0.000 2.728 162 N HA 0.054 4.794 4.740 -0.000 0.000 0.221 162 N C -1.585 173.914 175.510 -0.020 0.000 1.412 162 N CA -0.555 52.482 53.050 -0.021 0.000 1.003 162 N CB -0.128 38.345 38.487 -0.023 0.000 1.525 162 N HN 0.685 nan 8.380 nan 0.000 0.552 163 D N 0.940 121.329 120.400 -0.017 0.000 2.443 163 D HA 0.220 4.860 4.640 -0.000 0.000 0.234 163 D C -0.109 176.184 176.300 -0.011 0.000 1.172 163 D CA 0.464 54.456 54.000 -0.013 0.000 0.878 163 D CB 0.707 41.499 40.800 -0.013 0.000 1.204 163 D HN 0.237 nan 8.370 nan 0.000 0.453 164 K N -0.126 120.274 120.400 0.001 0.000 2.651 164 K HA 0.407 4.727 4.320 -0.000 0.000 0.259 164 K C -1.014 175.611 176.600 0.042 0.000 1.017 164 K CA -0.475 55.818 56.287 0.010 0.000 0.897 164 K CB 1.504 34.010 32.500 0.011 0.000 1.262 164 K HN 0.457 nan 8.250 nan 0.000 0.460 165 T N 2.005 116.589 114.554 0.051 0.000 3.460 165 T HA 0.498 4.848 4.350 -0.000 0.000 0.304 165 T C 0.071 174.853 174.700 0.136 0.000 0.991 165 T CA 0.342 62.491 62.100 0.081 0.000 0.975 165 T CB -0.144 68.751 68.868 0.046 0.000 1.196 165 T HN 0.605 nan 8.240 nan 0.000 0.490 166 A N 1.333 124.250 122.820 0.162 0.000 2.307 166 A HA 0.610 4.930 4.320 -0.000 0.000 0.271 166 A C 0.611 178.411 177.584 0.360 0.000 1.188 166 A CA 0.330 52.519 52.037 0.253 0.000 0.810 166 A CB -0.082 19.000 19.000 0.138 0.000 1.123 166 A HN 0.856 nan 8.150 nan 0.000 0.509 167 T N -1.452 113.340 114.554 0.396 0.000 3.355 167 T HA 0.477 4.827 4.350 -0.000 0.000 0.324 167 T C -0.612 174.146 174.700 0.097 0.000 0.932 167 T CA -0.621 61.628 62.100 0.248 0.000 1.032 167 T CB -0.322 68.681 68.868 0.225 0.000 1.027 167 T HN 1.341 nan 8.240 nan 0.000 0.456 168 L N 2.163 123.446 121.223 0.100 0.000 2.426 168 L HA 0.751 5.090 4.340 -0.000 0.000 0.271 168 L C 0.327 177.100 176.870 -0.161 0.000 1.169 168 L CA 0.198 55.028 54.840 -0.017 0.000 0.836 168 L CB -0.033 41.790 42.059 -0.393 0.000 1.112 168 L HN 1.023 nan 8.230 nan 0.000 0.465 169 Q N 0.975 120.629 119.800 -0.244 0.000 2.611 169 Q HA 0.673 5.013 4.340 -0.000 0.000 0.365 169 Q C -1.410 174.126 176.000 -0.773 0.000 0.660 169 Q CA -1.050 54.439 55.803 -0.523 0.000 0.950 169 Q CB 0.911 28.900 28.738 -1.249 0.000 1.130 169 Q HN 0.562 nan 8.270 nan 0.000 0.492 170 Q N 0.941 120.295 119.800 -0.742 0.000 2.429 170 Q HA 0.392 4.732 4.340 -0.000 0.000 0.247 170 Q C -1.320 174.589 176.000 -0.152 0.000 0.915 170 Q CA -0.207 55.273 55.803 -0.540 0.000 0.971 170 Q CB 2.099 30.285 28.738 -0.919 0.000 1.468 170 Q HN 0.907 nan 8.270 nan 0.000 0.439 171 V N 2.107 121.963 119.914 -0.097 0.000 3.432 171 V HA 0.542 4.662 4.120 -0.000 0.000 0.304 171 V C -0.198 175.882 176.094 -0.024 0.000 1.107 171 V CA 0.495 62.789 62.300 -0.010 0.000 1.153 171 V CB 0.554 32.363 31.823 -0.024 0.000 1.072 171 V HN 0.955 nan 8.190 nan 0.000 0.485 172 N N -0.180 118.515 118.700 -0.008 0.000 2.483 172 N HA 0.147 4.887 4.740 -0.000 0.000 0.153 172 N C 0.473 175.979 175.510 -0.006 0.000 1.848 172 N CA 0.207 53.249 53.050 -0.013 0.000 1.345 172 N CB 0.077 38.554 38.487 -0.018 0.000 0.966 172 N HN 0.825 nan 8.380 nan 0.000 0.590 173 S N 0.866 116.561 115.700 -0.007 0.000 2.564 173 S HA 0.172 4.642 4.470 -0.000 0.000 0.263 173 S C -0.139 174.464 174.600 0.005 0.000 1.378 173 S CA 0.014 58.213 58.200 -0.002 0.000 0.996 173 S CB -0.138 63.058 63.200 -0.006 0.000 0.881 173 S HN 0.216 nan 8.310 nan 0.000 0.555 174 I N 2.296 122.870 120.570 0.007 0.000 2.509 174 I HA 0.473 4.643 4.170 -0.000 0.000 0.293 174 I C 0.278 176.402 176.117 0.012 0.000 1.020 174 I CA -0.279 61.028 61.300 0.011 0.000 1.088 174 I CB 1.367 39.373 38.000 0.010 0.000 1.267 174 I HN 0.835 nan 8.210 nan 0.000 0.430 175 S N 2.998 118.707 115.700 0.015 0.000 2.806 175 S HA 0.846 5.316 4.470 -0.000 0.000 0.306 175 S C 0.194 174.803 174.600 0.014 0.000 1.167 175 S CA -0.260 57.949 58.200 0.015 0.000 0.847 175 S CB 1.495 64.706 63.200 0.019 0.000 1.216 175 S HN 0.693 nan 8.310 nan 0.000 0.532 176 G N 0.187 108.994 108.800 0.011 0.000 3.107 176 G HA2 0.376 4.336 3.960 -0.000 0.000 0.155 176 G HA3 0.376 4.336 3.960 -0.000 0.000 0.155 176 G C 0.274 175.180 174.900 0.009 0.000 1.875 176 G CA 0.205 45.310 45.100 0.008 0.000 1.004 176 G HN 1.037 nan 8.290 nan 0.000 0.480 177 V N -0.679 119.237 119.914 0.003 0.000 3.051 177 V HA 0.412 4.532 4.120 -0.000 0.000 0.306 177 V C 0.010 176.102 176.094 -0.003 0.000 1.083 177 V CA -0.255 62.044 62.300 -0.001 0.000 1.104 177 V CB 1.662 33.480 31.823 -0.009 0.000 1.027 177 V HN 0.298 nan 8.190 nan 0.000 0.483 178 V N 7.507 127.415 119.914 -0.009 0.000 2.326 178 V HA 0.316 4.436 4.120 -0.000 0.000 0.254 178 V C -1.980 174.058 176.094 -0.094 0.000 1.022 178 V CA -0.902 61.385 62.300 -0.020 0.000 1.074 178 V CB 0.126 31.966 31.823 0.028 0.000 1.305 178 V HN 0.835 nan 8.190 nan 0.000 0.506 179 P HA 0.125 nan 4.420 nan 0.000 0.339 179 P C 1.024 178.107 177.300 -0.363 0.000 1.413 179 P CA 0.039 63.040 63.100 -0.165 0.000 0.833 179 P CB 0.435 32.074 31.700 -0.101 0.000 2.004 180 N N -1.138 117.372 118.700 -0.315 0.000 2.388 180 N HA -0.017 4.723 4.740 -0.000 0.000 0.176 180 N C 0.239 175.614 175.510 -0.226 0.000 1.062 180 N CA 0.572 53.356 53.050 -0.444 0.000 0.895 180 N CB -0.473 37.905 38.487 -0.182 0.000 1.018 180 N HN -0.019 nan 8.380 nan 0.000 0.456 181 V N 2.612 122.461 119.914 -0.109 0.000 2.743 181 V HA 0.052 4.172 4.120 -0.000 0.000 0.356 181 V C 0.715 176.824 176.094 0.025 0.000 1.594 181 V CA 0.062 62.358 62.300 -0.006 0.000 1.652 181 V CB -2.177 29.641 31.823 -0.008 0.000 1.389 181 V HN 0.427 nan 8.190 nan 0.000 0.514 182 N N 1.300 120.053 118.700 0.089 0.000 1.504 182 N HA -0.251 4.489 4.740 -0.000 0.000 0.155 182 N C -0.302 175.251 175.510 0.072 0.000 0.736 182 N CA 2.381 55.539 53.050 0.179 0.000 1.095 182 N CB -0.594 37.973 38.487 0.134 0.000 1.315 182 N HN 0.619 nan 8.380 nan 0.000 0.467 183 L N -4.551 116.706 121.223 0.057 0.000 2.845 183 L HA 0.672 5.012 4.340 -0.000 0.000 0.256 183 L C -0.667 176.218 176.870 0.025 0.000 0.968 183 L CA -0.690 54.169 54.840 0.031 0.000 0.944 183 L CB 1.395 43.483 42.059 0.047 0.000 1.494 183 L HN 0.669 nan 8.230 nan 0.000 0.419 184 G N 1.196 110.005 108.800 0.014 0.000 2.605 184 G HA2 0.669 4.628 3.960 -0.000 0.000 0.304 184 G HA3 0.669 4.628 3.960 -0.000 0.000 0.304 184 G C -2.000 172.905 174.900 0.009 0.000 1.333 184 G CA -1.223 43.883 45.100 0.010 0.000 0.973 184 G HN 0.591 nan 8.290 nan 0.000 0.507 185 P HA 0.158 nan 4.420 nan 0.000 0.253 185 P C 0.759 178.062 177.300 0.004 0.000 1.281 185 P CA 0.393 63.497 63.100 0.007 0.000 0.792 185 P CB 0.748 32.452 31.700 0.005 0.000 1.193 186 G N -0.463 108.339 108.800 0.004 0.000 2.634 186 G HA2 0.559 4.519 3.960 -0.000 0.000 0.309 186 G HA3 0.559 4.519 3.960 -0.000 0.000 0.309 186 G C -2.432 172.469 174.900 0.002 0.000 1.299 186 G CA -0.447 44.654 45.100 0.002 0.000 0.798 186 G HN 0.162 nan 8.290 nan 0.000 0.490 187 L N 0.567 121.791 121.223 0.001 0.000 2.830 187 L HA 0.575 4.915 4.340 -0.000 0.000 0.259 187 L C 0.396 177.267 176.870 0.000 0.000 0.943 187 L CA 0.266 55.106 54.840 0.001 0.000 0.997 187 L CB 1.204 43.263 42.059 0.001 0.000 1.427 187 L HN 1.032 nan 8.230 nan 0.000 0.456 188 S N 2.866 118.566 115.700 0.000 0.000 3.446 188 S HA 0.342 4.812 4.470 -0.000 0.000 0.177 188 S C 0.607 175.207 174.600 -0.000 0.000 0.834 188 S CA -0.246 57.954 58.200 -0.000 0.000 1.201 188 S CB 0.015 63.215 63.200 -0.000 0.000 0.765 188 S HN 0.580 nan 8.310 nan 0.000 0.761 189 Q N 1.630 121.430 119.800 -0.000 0.000 2.424 189 Q HA 0.444 4.784 4.340 -0.000 0.000 0.204 189 Q C 0.635 176.635 176.000 -0.000 0.000 0.933 189 Q CA 0.208 56.011 55.803 -0.000 0.000 0.929 189 Q CB -0.028 28.709 28.738 -0.000 0.000 1.037 189 Q HN 0.739 nan 8.270 nan 0.000 0.511 190 L N -6.192 115.031 121.223 -0.000 0.000 3.042 190 L HA 0.721 5.061 4.340 -0.000 0.000 0.282 190 L C -1.164 175.706 176.870 -0.000 0.000 1.032 190 L CA -1.293 53.547 54.840 -0.000 0.000 1.001 190 L CB 0.787 42.845 42.059 -0.000 0.000 1.587 190 L HN -0.313 nan 8.230 nan 0.000 0.368 191 A N 1.025 123.844 122.820 -0.000 0.000 2.489 191 A HA 0.427 4.747 4.320 -0.000 0.000 0.289 191 A C 0.326 177.911 177.584 0.001 0.000 1.216 191 A CA 0.091 52.128 52.037 0.000 0.000 0.883 191 A CB -0.765 18.235 19.000 -0.001 0.000 1.110 191 A HN 0.526 nan 8.150 nan 0.000 0.523 192 S N 4.324 120.025 115.700 0.002 0.000 3.024 192 S HA 0.099 4.569 4.470 -0.000 0.000 0.316 192 S C 0.459 175.061 174.600 0.004 0.000 1.197 192 S CA -0.402 57.799 58.200 0.002 0.000 1.097 192 S CB -0.295 62.906 63.200 0.001 0.000 1.471 192 S HN 0.616 nan 8.310 nan 0.000 0.543 193 R N 2.507 123.010 120.500 0.005 0.000 2.480 193 R HA 0.146 4.486 4.340 -0.000 0.000 0.303 193 R C 0.798 177.102 176.300 0.006 0.000 0.985 193 R CA -0.113 55.993 56.100 0.009 0.000 1.051 193 R CB -0.574 29.733 30.300 0.011 0.000 0.935 193 R HN 0.641 nan 8.270 nan 0.000 0.410 194 A N 3.941 126.766 122.820 0.009 0.000 2.577 194 A HA -0.046 4.274 4.320 -0.000 0.000 0.233 194 A C 0.283 177.863 177.584 -0.007 0.000 1.076 194 A CA 0.010 52.048 52.037 0.002 0.000 0.767 194 A CB 0.174 19.178 19.000 0.006 0.000 1.017 194 A HN 0.654 nan 8.150 nan 0.000 0.511 195 D N 0.050 120.440 120.400 -0.016 0.000 2.352 195 D HA 0.122 4.762 4.640 -0.000 0.000 0.238 195 D C 1.598 177.873 176.300 -0.042 0.000 1.286 195 D CA -0.027 53.957 54.000 -0.027 0.000 0.923 195 D CB 0.516 41.299 40.800 -0.029 0.000 1.146 195 D HN 0.166 nan 8.370 nan 0.000 0.471 196 V N 0.809 120.688 119.914 -0.059 0.000 2.346 196 V HA -0.193 3.927 4.120 -0.000 0.000 0.244 196 V C 1.980 177.993 176.094 -0.135 0.000 1.037 196 V CA 1.808 64.052 62.300 -0.093 0.000 1.029 196 V CB -0.574 31.187 31.823 -0.102 0.000 0.663 196 V HN 0.588 nan 8.190 nan 0.000 0.454 197 D N 1.438 121.766 120.400 -0.120 0.000 2.350 197 D HA -0.108 4.532 4.640 -0.000 0.000 0.216 197 D C 0.234 176.475 176.300 -0.098 0.000 0.968 197 D CA 0.811 54.735 54.000 -0.128 0.000 0.894 197 D CB -0.486 40.266 40.800 -0.080 0.000 0.909 197 D HN 0.736 nan 8.370 nan 0.000 0.520 198 N N -0.084 118.569 118.700 -0.079 0.000 2.718 198 N HA 0.298 5.038 4.740 -0.000 0.000 0.260 198 N C -1.575 173.908 175.510 -0.043 0.000 1.089 198 N CA -0.881 52.132 53.050 -0.063 0.000 1.021 198 N CB 0.554 39.015 38.487 -0.044 0.000 1.618 198 N HN -0.019 nan 8.380 nan 0.000 0.554 199 I N 0.230 120.778 120.570 -0.037 0.000 2.502 199 I HA 0.856 5.026 4.170 -0.000 0.000 0.276 199 I C 1.186 177.311 176.117 0.012 0.000 1.057 199 I CA -0.486 60.811 61.300 -0.005 0.000 1.163 199 I CB 0.693 38.701 38.000 0.013 0.000 1.288 199 I HN 0.953 nan 8.210 nan 0.000 0.479 200 G N 3.891 112.697 108.800 0.010 0.000 2.578 200 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.313 200 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.313 200 G C 0.201 175.111 174.900 0.018 0.000 1.324 200 G CA 0.001 45.111 45.100 0.017 0.000 0.955 200 G HN 0.791 nan 8.290 nan 0.000 0.541 201 V N 0.847 120.781 119.914 0.033 0.000 2.975 201 V HA 0.251 4.371 4.120 -0.000 0.000 0.300 201 V C 1.945 178.061 176.094 0.036 0.000 1.186 201 V CA 1.141 63.463 62.300 0.036 0.000 1.311 201 V CB -0.073 31.784 31.823 0.055 0.000 0.917 201 V HN 1.993 nan 8.190 nan 0.000 0.512 202 V N 2.158 122.087 119.914 0.024 0.000 0.691 202 V HA -0.061 4.059 4.120 -0.000 0.000 0.092 202 V C 0.614 176.658 176.094 -0.084 0.000 0.767 202 V CA 1.097 63.409 62.300 0.020 0.000 3.097 202 V CB -1.762 30.124 31.823 0.105 0.000 0.181 202 V HN 1.887 nan 8.190 nan 0.000 0.061 203 G N -1.115 107.521 108.800 -0.273 0.000 2.488 203 G HA2 0.587 4.547 3.960 -0.000 0.000 0.301 203 G HA3 0.587 4.547 3.960 -0.000 0.000 0.301 203 G C -1.275 173.167 174.900 -0.762 0.000 1.339 203 G CA -0.671 44.187 45.100 -0.403 0.000 0.803 203 G HN 0.817 nan 8.290 nan 0.000 0.482 204 R N -0.931 119.291 120.500 -0.464 0.000 2.694 204 R HA 0.496 4.836 4.340 -0.000 0.000 0.268 204 R C -1.074 174.947 176.300 -0.465 0.000 1.061 204 R CA 0.403 56.342 56.100 -0.268 0.000 1.133 204 R CB 0.311 30.661 30.300 0.084 0.000 1.020 204 R HN 0.274 nan 8.270 nan 0.000 0.475 205 F N -0.534 119.563 119.950 0.244 0.000 2.599 205 F HA 0.398 4.925 4.527 -0.000 0.000 0.311 205 F C 0.039 175.851 175.800 0.021 0.000 1.076 205 F CA -1.328 56.756 58.000 0.140 0.000 0.937 205 F CB 1.441 40.529 39.000 0.147 0.000 1.282 205 F HN 0.547 nan 8.300 nan 0.000 0.460 206 A N 2.700 125.616 122.820 0.160 0.000 2.488 206 A HA 0.367 4.687 4.320 -0.000 0.000 0.249 206 A C 0.281 177.872 177.584 0.010 0.000 1.083 206 A CA -0.157 51.849 52.037 -0.051 0.000 0.768 206 A CB 0.111 19.064 19.000 -0.078 0.000 1.017 206 A HN 0.795 nan 8.150 nan 0.000 0.496 207 K N 1.503 121.882 120.400 -0.036 0.000 2.520 207 K HA 0.457 4.777 4.320 -0.000 0.000 0.256 207 K C 0.988 177.585 176.600 -0.004 0.000 1.033 207 K CA -0.525 55.773 56.287 0.018 0.000 1.007 207 K CB 0.783 33.300 32.500 0.028 0.000 1.330 207 K HN 0.324 nan 8.250 nan 0.000 0.507 208 V N 1.162 121.083 119.914 0.012 0.000 2.488 208 V HA -0.171 3.948 4.120 -0.000 0.000 0.246 208 V C 1.374 177.461 176.094 -0.011 0.000 1.046 208 V CA 1.559 63.861 62.300 0.004 0.000 1.053 208 V CB -0.501 31.332 31.823 0.017 0.000 0.679 208 V HN 0.751 nan 8.190 nan 0.000 0.458 209 D N 0.616 121.009 120.400 -0.012 0.000 2.271 209 D HA -0.106 4.534 4.640 -0.000 0.000 0.207 209 D C 1.117 177.394 176.300 -0.038 0.000 0.983 209 D CA 0.841 54.829 54.000 -0.020 0.000 0.878 209 D CB -0.178 40.613 40.800 -0.015 0.000 0.920 209 D HN 0.400 nan 8.370 nan 0.000 0.479 210 S N 0.816 116.485 115.700 -0.053 0.000 2.506 210 S HA 0.218 4.688 4.470 -0.000 0.000 0.291 210 S C 0.466 175.032 174.600 -0.057 0.000 1.230 210 S CA -0.512 57.644 58.200 -0.073 0.000 1.107 210 S CB 0.761 63.904 63.200 -0.094 0.000 0.942 210 S HN 0.239 nan 8.310 nan 0.000 0.502 211 A N 4.280 127.064 122.820 -0.059 0.000 2.509 211 A HA 0.446 4.765 4.320 -0.000 0.000 0.282 211 A C 1.245 178.809 177.584 -0.033 0.000 1.159 211 A CA 0.337 52.347 52.037 -0.045 0.000 0.863 211 A CB -1.467 17.499 19.000 -0.058 0.000 1.029 211 A HN 1.646 nan 8.150 nan 0.000 0.542 212 G N 0.914 109.704 108.800 -0.016 0.000 2.915 212 G HA2 0.065 4.024 3.960 -0.000 0.000 0.686 212 G HA3 0.065 4.024 3.960 -0.000 0.000 0.686 212 G C -0.375 174.515 174.900 -0.015 0.000 1.414 212 G CA -0.345 44.754 45.100 -0.002 0.000 1.053 212 G HN 1.507 nan 8.290 nan 0.000 0.598 213 V N 4.178 124.079 119.914 -0.023 0.000 2.539 213 V HA 0.725 4.845 4.120 -0.000 0.000 0.292 213 V C 0.318 176.390 176.094 -0.037 0.000 1.045 213 V CA -0.524 61.748 62.300 -0.048 0.000 0.945 213 V CB 1.686 33.464 31.823 -0.076 0.000 0.993 213 V HN 0.855 nan 8.190 nan 0.000 0.464 214 K N 2.566 122.939 120.400 -0.045 0.000 2.378 214 K HA 0.572 4.892 4.320 -0.000 0.000 0.244 214 K C -0.480 176.072 176.600 -0.079 0.000 1.039 214 K CA -0.892 55.376 56.287 -0.031 0.000 0.863 214 K CB 1.503 34.023 32.500 0.034 0.000 1.326 214 K HN 0.630 nan 8.250 nan 0.000 0.460 215 Q N -0.327 119.431 119.800 -0.070 0.000 2.397 215 Q HA 0.328 4.668 4.340 -0.000 0.000 0.193 215 Q C 1.121 177.068 176.000 -0.088 0.000 1.083 215 Q CA -0.087 55.658 55.803 -0.096 0.000 1.108 215 Q CB 0.404 29.105 28.738 -0.063 0.000 1.172 215 Q HN 0.731 nan 8.270 nan 0.000 0.617 216 A N 0.065 122.827 122.820 -0.097 0.000 1.855 216 A HA -0.149 4.171 4.320 -0.000 0.000 0.213 216 A C 1.472 179.041 177.584 -0.025 0.000 1.195 216 A CA 0.890 52.875 52.037 -0.086 0.000 0.610 216 A CB -0.747 18.189 19.000 -0.108 0.000 0.837 216 A HN 0.757 nan 8.150 nan 0.000 0.444 217 Y N 1.403 121.665 120.300 -0.064 0.000 2.716 217 Y HA 0.235 4.785 4.550 -0.000 0.000 0.351 217 Y C 0.734 176.622 175.900 -0.020 0.000 1.220 217 Y CA 0.410 58.486 58.100 -0.039 0.000 1.255 217 Y CB -0.750 37.680 38.460 -0.049 0.000 1.115 217 Y HN 0.236 nan 8.280 nan 0.000 0.484 218 G N 0.359 109.124 108.800 -0.059 0.000 3.148 218 G HA2 0.558 4.518 3.960 -0.000 0.000 0.300 218 G HA3 0.558 4.518 3.960 -0.000 0.000 0.300 218 G C -1.701 173.194 174.900 -0.008 0.000 2.403 218 G CA 0.020 45.108 45.100 -0.020 0.000 0.763 218 G HN 0.526 nan 8.290 nan 0.000 0.371 219 A N 1.485 124.283 122.820 -0.036 0.000 2.522 219 A HA 0.603 4.922 4.320 -0.000 0.000 0.290 219 A C -2.053 175.505 177.584 -0.043 0.000 1.047 219 A CA -0.581 51.434 52.037 -0.038 0.000 0.935 219 A CB 0.975 19.937 19.000 -0.062 0.000 1.451 219 A HN 1.366 nan 8.150 nan 0.000 0.398 220 Y N 1.859 122.015 120.300 -0.241 0.000 2.446 220 Y HA 0.730 5.280 4.550 -0.000 0.000 0.345 220 Y C -1.117 174.638 175.900 -0.241 0.000 0.984 220 Y CA -1.545 56.344 58.100 -0.352 0.000 1.058 220 Y CB 2.166 40.307 38.460 -0.531 0.000 1.220 220 Y HN 1.123 nan 8.280 nan 0.000 0.455 221 V N 7.516 127.172 119.914 -0.430 0.000 2.614 221 V HA 0.322 4.442 4.120 -0.000 0.000 0.281 221 V C -1.110 174.600 176.094 -0.640 0.000 1.031 221 V CA -0.894 61.065 62.300 -0.569 0.000 0.899 221 V CB 0.957 32.635 31.823 -0.242 0.000 1.037 221 V HN 0.803 nan 8.190 nan 0.000 0.456 222 K N 8.528 128.391 120.400 -0.896 0.000 2.484 222 K HA 0.223 4.542 4.320 -0.000 0.000 0.280 222 K C -2.086 174.420 176.600 -0.156 0.000 1.013 222 K CA -0.708 55.321 56.287 -0.431 0.000 1.029 222 K CB 1.012 33.315 32.500 -0.329 0.000 0.902 222 K HN 0.652 nan 8.250 nan 0.000 0.481 223 P HA -0.001 nan 4.420 nan 0.000 0.270 223 P C -0.388 176.908 177.300 -0.006 0.000 1.227 223 P CA -0.209 62.892 63.100 0.002 0.000 0.788 223 P CB 0.553 32.275 31.700 0.036 0.000 0.926 224 V N -0.020 119.894 119.914 0.001 0.000 3.028 224 V HA 0.357 4.477 4.120 -0.000 0.000 0.418 224 V C -0.024 176.067 176.094 -0.006 0.000 1.433 224 V CA -0.108 62.189 62.300 -0.005 0.000 1.543 224 V CB -0.590 31.229 31.823 -0.007 0.000 1.329 224 V HN 0.735 nan 8.190 nan 0.000 0.646 225 K N 1.765 122.164 120.400 -0.002 0.000 2.738 225 K HA 0.152 4.472 4.320 -0.000 0.000 0.278 225 K C -1.491 175.110 176.600 0.003 0.000 1.069 225 K CA -0.401 55.883 56.287 -0.004 0.000 0.942 225 K CB 1.348 33.840 32.500 -0.013 0.000 1.381 225 K HN 0.323 nan 8.250 nan 0.000 0.399 226 D N 3.296 123.698 120.400 0.004 0.000 2.662 226 D HA 0.064 4.704 4.640 -0.000 0.000 0.228 226 D C -0.351 175.953 176.300 0.007 0.000 1.090 226 D CA 0.503 54.509 54.000 0.009 0.000 1.118 226 D CB -0.362 40.444 40.800 0.009 0.000 1.129 226 D HN 0.614 nan 8.370 nan 0.000 0.472 227 D N -1.977 118.427 120.400 0.007 0.000 4.428 227 D HA 0.087 4.727 4.640 -0.000 0.000 0.114 227 D C 0.406 176.708 176.300 0.003 0.000 0.522 227 D CA -0.325 53.677 54.000 0.005 0.000 0.610 227 D CB -1.110 39.689 40.800 -0.002 0.000 1.645 227 D HN 0.467 nan 8.370 nan 0.000 0.249 228 G N 0.026 108.832 108.800 0.011 0.000 2.666 228 G HA2 0.275 4.235 3.960 -0.000 0.000 0.185 228 G HA3 0.275 4.235 3.960 -0.000 0.000 0.185 228 G C -0.107 174.790 174.900 -0.004 0.000 0.483 228 G CA 0.383 45.491 45.100 0.014 0.000 0.902 228 G HN 1.247 nan 8.290 nan 0.000 0.380 229 S N 1.801 117.497 115.700 -0.007 0.000 2.604 229 S HA 0.609 5.079 4.470 -0.000 0.000 0.296 229 S C -0.258 174.325 174.600 -0.028 0.000 1.097 229 S CA -0.146 58.026 58.200 -0.047 0.000 0.883 229 S CB 1.497 64.658 63.200 -0.065 0.000 1.081 229 S HN 0.932 nan 8.310 nan 0.000 0.448 230 Q N 1.135 120.904 119.800 -0.052 0.000 3.182 230 Q HA 0.785 5.125 4.340 -0.000 0.000 0.212 230 Q C -0.040 175.938 176.000 -0.037 0.000 1.099 230 Q CA -0.373 55.444 55.803 0.023 0.000 0.680 230 Q CB 0.606 29.491 28.738 0.246 0.000 3.554 230 Q HN 0.845 nan 8.270 nan 0.000 0.361 231 S N -0.983 114.737 115.700 0.035 0.000 2.851 231 S HA 0.617 5.087 4.470 -0.000 0.000 0.317 231 S C -0.690 173.948 174.600 0.063 0.000 1.144 231 S CA -0.618 57.587 58.200 0.008 0.000 0.862 231 S CB 0.788 63.995 63.200 0.012 0.000 1.259 231 S HN 0.834 nan 8.310 nan 0.000 0.564 232 L N 0.600 121.845 121.223 0.037 0.000 3.677 232 L HA -0.143 4.197 4.340 -0.000 0.000 0.464 232 L C -1.476 175.448 176.870 0.091 0.000 1.278 232 L CA 0.632 55.508 54.840 0.060 0.000 0.806 232 L CB -2.181 39.925 42.059 0.078 0.000 1.610 232 L HN 0.737 nan 8.230 nan 0.000 0.867 233 N N 1.626 120.333 118.700 0.011 0.000 2.419 233 N HA 0.620 5.360 4.740 -0.000 0.000 0.264 233 N C -0.367 175.149 175.510 0.010 0.000 1.031 233 N CA -0.374 52.666 53.050 -0.016 0.000 0.951 233 N CB 1.304 39.695 38.487 -0.160 0.000 1.101 233 N HN 0.435 nan 8.380 nan 0.000 0.488 234 Q N 0.888 120.717 119.800 0.049 0.000 2.365 234 Q HA 0.560 4.899 4.340 -0.000 0.000 0.269 234 Q C -0.867 175.142 176.000 0.016 0.000 1.061 234 Q CA -0.805 55.011 55.803 0.022 0.000 0.816 234 Q CB 1.264 30.020 28.738 0.031 0.000 1.325 234 Q HN 0.704 nan 8.270 nan 0.000 0.446 235 T N -0.191 114.333 114.554 -0.049 0.000 2.948 235 T HA 0.977 5.326 4.350 -0.000 0.000 0.285 235 T C -0.682 173.872 174.700 -0.245 0.000 1.019 235 T CA -0.450 61.585 62.100 -0.109 0.000 1.013 235 T CB 1.611 70.389 68.868 -0.151 0.000 1.117 235 T HN 0.827 nan 8.240 nan 0.000 0.533 236 A N 1.096 123.725 122.820 -0.318 0.000 2.512 236 A HA 0.589 4.909 4.320 -0.000 0.000 0.294 236 A C -1.603 175.750 177.584 -0.386 0.000 1.054 236 A CA -1.033 50.738 52.037 -0.443 0.000 0.756 236 A CB 0.568 19.437 19.000 -0.219 0.000 1.293 236 A HN 0.713 nan 8.150 nan 0.000 0.395 237 Y N -0.075 120.155 120.300 -0.116 0.000 2.354 237 Y HA 0.707 5.257 4.550 -0.000 0.000 0.322 237 Y C -0.103 175.654 175.900 -0.239 0.000 1.253 237 Y CA -0.676 57.422 58.100 -0.003 0.000 1.272 237 Y CB 0.815 39.285 38.460 0.016 0.000 1.255 237 Y HN 0.695 nan 8.280 nan 0.000 0.500 238 W N 1.719 123.150 121.300 0.219 0.000 2.950 238 W HA 0.677 5.337 4.660 -0.000 0.000 0.340 238 W C -1.577 175.011 176.519 0.116 0.000 1.139 238 W CA -0.800 56.626 57.345 0.136 0.000 1.188 238 W CB 1.768 31.291 29.460 0.105 0.000 1.426 238 W HN 0.264 nan 8.180 nan 0.000 0.531 239 L N 3.643 125.054 121.223 0.312 0.000 3.138 239 L HA 0.173 4.513 4.340 -0.000 0.000 0.248 239 L C -0.281 176.692 176.870 0.171 0.000 0.954 239 L CA -0.221 54.743 54.840 0.208 0.000 1.147 239 L CB 0.916 43.075 42.059 0.167 0.000 1.648 239 L HN 0.570 nan 8.230 nan 0.000 0.567 240 M N 1.827 121.521 119.600 0.156 0.000 2.299 240 M HA 0.169 4.649 4.480 -0.000 0.000 0.264 240 M C 0.514 176.866 176.300 0.085 0.000 1.095 240 M CA 1.190 56.562 55.300 0.119 0.000 1.165 240 M CB -0.030 32.634 32.600 0.107 0.000 1.349 240 M HN 0.635 nan 8.290 nan 0.000 0.446 241 D N 1.628 122.072 120.400 0.073 0.000 2.542 241 D HA -0.092 4.548 4.640 -0.000 0.000 0.242 241 D C -1.011 175.318 176.300 0.048 0.000 1.207 241 D CA 0.188 54.217 54.000 0.049 0.000 1.172 241 D CB -1.142 39.680 40.800 0.036 0.000 1.126 241 D HN 0.317 nan 8.370 nan 0.000 0.500 242 N N 1.384 120.119 118.700 0.059 0.000 2.868 242 N HA 0.140 4.880 4.740 -0.000 0.000 0.252 242 N C 1.334 176.866 175.510 0.038 0.000 1.130 242 N CA -0.249 52.844 53.050 0.071 0.000 1.026 242 N CB 1.293 39.847 38.487 0.112 0.000 1.335 242 N HN 0.528 nan 8.380 nan 0.000 0.516 243 G N -0.097 108.701 108.800 -0.002 0.000 2.650 243 G HA2 0.112 4.071 3.960 -0.000 0.000 0.214 243 G HA3 0.112 4.071 3.960 -0.000 0.000 0.214 243 G C 0.955 175.838 174.900 -0.028 0.000 1.136 243 G CA 0.313 45.403 45.100 -0.015 0.000 0.789 243 G HN 0.654 nan 8.290 nan 0.000 0.536 244 G N -1.284 107.481 108.800 -0.058 0.000 2.215 244 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.198 244 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.198 244 G C 0.373 175.165 174.900 -0.179 0.000 1.047 244 G CA 0.680 45.741 45.100 -0.065 0.000 0.747 244 G HN 0.507 nan 8.290 nan 0.000 0.495 245 T N -0.590 113.763 114.554 -0.336 0.000 3.511 245 T HA 0.190 4.540 4.350 -0.000 0.000 0.220 245 T C 0.611 175.017 174.700 -0.490 0.000 0.962 245 T CA 0.460 62.372 62.100 -0.313 0.000 1.099 245 T CB 0.143 68.909 68.868 -0.170 0.000 1.197 245 T HN 0.700 nan 8.240 nan 0.000 0.343 246 N N 1.390 119.854 118.700 -0.394 0.000 2.421 246 N HA 0.209 4.949 4.740 -0.000 0.000 0.285 246 N C -1.193 174.106 175.510 -0.352 0.000 1.027 246 N CA -0.315 52.543 53.050 -0.320 0.000 0.918 246 N CB 1.223 39.628 38.487 -0.138 0.000 1.152 246 N HN 0.277 nan 8.380 nan 0.000 0.485 247 Y N 0.818 121.117 120.300 -0.000 0.000 2.555 247 Y HA 0.356 4.906 4.550 -0.000 0.000 0.259 247 Y C 0.471 176.369 175.900 -0.003 0.000 1.179 247 Y CA -0.571 57.531 58.100 0.002 0.000 1.230 247 Y CB 0.257 38.716 38.460 -0.002 0.000 1.146 247 Y HN 0.350 nan 8.280 nan 0.000 0.526 248 L N 0.592 121.866 121.223 0.084 0.000 2.418 248 L HA 0.259 4.599 4.340 -0.000 0.000 0.274 248 L C 1.318 178.220 176.870 0.054 0.000 1.135 248 L CA -0.165 54.700 54.840 0.041 0.000 0.870 248 L CB 0.310 42.373 42.059 0.007 0.000 1.154 248 L HN 0.306 nan 8.230 nan 0.000 0.462 249 G N 2.299 111.130 108.800 0.052 0.000 2.447 249 G HA2 0.383 4.342 3.960 -0.000 0.000 0.269 249 G HA3 0.383 4.342 3.960 -0.000 0.000 0.269 249 G C 0.527 175.486 174.900 0.098 0.000 1.455 249 G CA 0.434 45.600 45.100 0.110 0.000 1.061 249 G HN 0.791 nan 8.290 nan 0.000 0.545 250 A N -2.743 120.165 122.820 0.146 0.000 2.599 250 A HA 0.496 4.815 4.320 -0.000 0.000 0.162 250 A C -0.065 177.606 177.584 0.146 0.000 1.654 250 A CA 0.104 52.210 52.037 0.115 0.000 1.214 250 A CB 0.233 19.289 19.000 0.094 0.000 1.505 250 A HN 0.354 nan 8.150 nan 0.000 0.481 251 L N -0.642 120.724 121.223 0.238 0.000 2.286 251 L HA 0.894 5.234 4.340 -0.000 0.000 0.265 251 L C 0.066 177.173 176.870 0.394 0.000 1.012 251 L CA -0.058 54.944 54.840 0.270 0.000 0.818 251 L CB 1.828 44.034 42.059 0.244 0.000 1.337 251 L HN 0.399 nan 8.230 nan 0.000 0.438 252 A N 0.973 124.000 122.820 0.344 0.000 2.768 252 A HA 0.609 4.929 4.320 -0.000 0.000 0.298 252 A C -0.908 176.835 177.584 0.264 0.000 1.159 252 A CA -0.533 51.717 52.037 0.354 0.000 0.783 252 A CB 0.569 19.744 19.000 0.291 0.000 1.333 252 A HN 0.566 nan 8.150 nan 0.000 0.412 253 V N -0.291 119.845 119.914 0.371 0.000 2.649 253 V HA 0.760 4.880 4.120 -0.000 0.000 0.292 253 V C 0.037 176.260 176.094 0.215 0.000 1.055 253 V CA -0.282 62.248 62.300 0.383 0.000 1.023 253 V CB 1.481 33.749 31.823 0.743 0.000 0.992 253 V HN 0.757 nan 8.190 nan 0.000 0.480 254 E N 2.464 122.730 120.200 0.110 0.000 2.546 254 E HA 0.343 4.693 4.350 -0.000 0.000 0.227 254 E C -1.076 175.662 176.600 0.231 0.000 1.009 254 E CA -0.358 56.094 56.400 0.087 0.000 0.813 254 E CB 0.058 29.739 29.700 -0.030 0.000 1.269 254 E HN 0.882 nan 8.360 nan 0.000 0.432 255 D N 3.062 123.626 120.400 0.273 0.000 2.348 255 D HA 0.249 4.889 4.640 -0.000 0.000 0.253 255 D C -0.729 175.768 176.300 0.328 0.000 1.161 255 D CA 0.348 54.536 54.000 0.313 0.000 0.876 255 D CB 0.262 41.210 40.800 0.247 0.000 1.160 255 D HN 0.386 nan 8.370 nan 0.000 0.459 256 Y N -1.522 118.814 120.300 0.060 0.000 2.592 256 Y HA 0.516 5.066 4.550 -0.000 0.000 0.334 256 Y C -0.858 175.052 175.900 0.017 0.000 1.136 256 Y CA -1.398 56.717 58.100 0.025 0.000 1.042 256 Y CB 0.317 38.781 38.460 0.006 0.000 1.325 256 Y HN 0.104 nan 8.280 nan 0.000 0.457 257 T N 3.569 118.073 114.554 -0.084 0.000 2.897 257 T HA 0.502 4.852 4.350 -0.000 0.000 0.294 257 T C -0.533 174.012 174.700 -0.259 0.000 1.004 257 T CA -0.383 61.609 62.100 -0.180 0.000 1.106 257 T CB 0.965 69.791 68.868 -0.069 0.000 0.949 257 T HN 0.640 nan 8.240 nan 0.000 0.520 258 Q N 0.666 120.293 119.800 -0.288 0.000 2.486 258 Q HA 0.527 4.867 4.340 -0.000 0.000 0.274 258 Q C 0.333 176.222 176.000 -0.185 0.000 1.076 258 Q CA -0.951 54.705 55.803 -0.245 0.000 0.872 258 Q CB 0.596 29.157 28.738 -0.296 0.000 1.383 258 Q HN 0.682 nan 8.270 nan 0.000 0.478 259 T N -1.130 113.304 114.554 -0.200 0.000 3.285 259 T HA 0.418 4.768 4.350 -0.000 0.000 0.232 259 T C -0.201 174.343 174.700 -0.260 0.000 0.973 259 T CA -0.475 61.493 62.100 -0.220 0.000 1.023 259 T CB -0.658 68.064 68.868 -0.244 0.000 1.158 259 T HN 0.149 nan 8.240 nan 0.000 0.590 260 L N 2.723 123.818 121.223 -0.214 0.000 2.499 260 L HA 0.455 4.795 4.340 -0.000 0.000 0.281 260 L C 0.983 177.713 176.870 -0.233 0.000 1.234 260 L CA 0.963 55.687 54.840 -0.193 0.000 0.839 260 L CB 0.324 42.298 42.059 -0.141 0.000 1.104 260 L HN 0.883 nan 8.230 nan 0.000 0.500 261 S N 0.202 115.762 115.700 -0.232 0.000 2.806 261 S HA 0.682 5.151 4.470 -0.000 0.000 0.294 261 S C -1.550 172.873 174.600 -0.294 0.000 1.239 261 S CA -0.379 57.563 58.200 -0.431 0.000 1.052 261 S CB 1.089 64.095 63.200 -0.323 0.000 1.332 261 S HN 0.660 nan 8.310 nan 0.000 0.516 262 Y N -2.058 118.239 120.300 -0.005 0.000 2.733 262 Y HA 0.466 5.016 4.550 -0.000 0.000 0.269 262 Y C -2.799 173.097 175.900 -0.006 0.000 1.038 262 Y CA -1.255 56.848 58.100 0.006 0.000 1.358 262 Y CB -1.284 37.166 38.460 -0.017 0.000 1.145 262 Y HN 0.476 nan 8.280 nan 0.000 0.513 263 P HA -0.017 nan 4.420 nan 0.000 0.221 263 P C -0.456 176.882 177.300 0.063 0.000 1.150 263 P CA 1.322 64.478 63.100 0.095 0.000 0.800 263 P CB 0.515 32.276 31.700 0.102 0.000 0.787 264 D N -0.036 120.435 120.400 0.117 0.000 2.938 264 D HA 0.214 4.854 4.640 -0.000 0.000 0.369 264 D C -0.671 175.671 176.300 0.071 0.000 1.301 264 D CA -0.133 53.914 54.000 0.078 0.000 0.805 264 D CB 0.241 41.126 40.800 0.141 0.000 1.161 264 D HN 0.066 nan 8.370 nan 0.000 0.474 265 T N -2.091 112.492 114.554 0.049 0.000 3.578 265 T HA 0.553 4.903 4.350 -0.000 0.000 0.343 265 T C -0.920 173.720 174.700 -0.101 0.000 1.126 265 T CA -0.738 61.372 62.100 0.016 0.000 1.092 265 T CB 1.152 70.055 68.868 0.058 0.000 1.160 265 T HN -0.136 nan 8.240 nan 0.000 0.469 266 V N 3.754 123.615 119.914 -0.089 0.000 2.623 266 V HA 0.626 4.746 4.120 -0.000 0.000 0.304 266 V C -0.292 175.754 176.094 -0.081 0.000 1.054 266 V CA -0.815 61.396 62.300 -0.147 0.000 0.882 266 V CB 1.754 33.515 31.823 -0.103 0.000 1.002 266 V HN 0.958 nan 8.190 nan 0.000 0.424 267 L N 4.703 125.856 121.223 -0.117 0.000 2.985 267 L HA 0.645 4.985 4.340 -0.000 0.000 0.201 267 L C 0.729 177.581 176.870 -0.031 0.000 1.291 267 L CA 0.729 55.533 54.840 -0.059 0.000 1.141 267 L CB 1.512 43.520 42.059 -0.085 0.000 2.131 267 L HN 0.432 nan 8.230 nan 0.000 0.538 268 V N -2.246 117.653 119.914 -0.025 0.000 4.566 268 V HA 0.263 4.383 4.120 -0.000 0.000 0.178 268 V C -0.178 175.889 176.094 -0.044 0.000 1.015 268 V CA 0.119 62.410 62.300 -0.016 0.000 1.443 268 V CB 0.554 32.381 31.823 0.006 0.000 2.066 268 V HN 0.701 nan 8.190 nan 0.000 0.437 269 T N 2.854 117.372 114.554 -0.059 0.000 2.853 269 T HA 0.499 4.849 4.350 -0.000 0.000 0.317 269 T C -2.446 172.203 174.700 -0.085 0.000 1.059 269 T CA -0.654 61.396 62.100 -0.084 0.000 0.954 269 T CB 1.214 70.026 68.868 -0.093 0.000 0.994 269 T HN 0.237 nan 8.240 nan 0.000 0.479 270 P HA 0.182 nan 4.420 nan 0.000 0.271 270 P C -1.703 175.552 177.300 -0.075 0.000 1.233 270 P CA -1.241 61.812 63.100 -0.078 0.000 0.789 270 P CB 0.156 31.811 31.700 -0.075 0.000 0.951 271 P HA -0.112 nan 4.420 nan 0.000 0.216 271 P C 0.489 177.763 177.300 -0.043 0.000 1.150 271 P CA 1.625 64.696 63.100 -0.049 0.000 0.843 271 P CB 0.174 31.852 31.700 -0.037 0.000 0.787 272 T N -4.605 109.922 114.554 -0.045 0.000 2.671 272 T HA 0.644 4.994 4.350 -0.000 0.000 0.300 272 T C 0.068 174.704 174.700 -0.106 0.000 1.238 272 T CA -0.057 62.008 62.100 -0.059 0.000 1.020 272 T CB 0.730 69.609 68.868 0.018 0.000 1.503 272 T HN -0.220 nan 8.240 nan 0.000 0.497 273 A N -0.176 122.523 122.820 -0.203 0.000 2.035 273 A HA 0.390 4.710 4.320 -0.000 0.000 0.208 273 A C -0.074 177.402 177.584 -0.179 0.000 1.206 273 A CA 0.304 52.194 52.037 -0.245 0.000 0.773 273 A CB -0.525 18.255 19.000 -0.366 0.000 0.878 273 A HN 0.686 nan 8.150 nan 0.000 0.469 274 Y N 0.853 121.141 120.300 -0.020 0.000 2.712 274 Y HA 0.251 4.800 4.550 -0.000 0.000 0.333 274 Y C 0.888 176.784 175.900 -0.007 0.000 1.225 274 Y CA 0.071 58.165 58.100 -0.010 0.000 1.499 274 Y CB 0.228 38.684 38.460 -0.007 0.000 1.288 274 Y HN 0.313 nan 8.280 nan 0.000 0.575 275 Q N 4.221 124.120 119.800 0.165 0.000 2.431 275 Q HA 0.167 4.507 4.340 -0.000 0.000 0.234 275 Q C -0.998 175.047 176.000 0.076 0.000 1.203 275 Q CA 0.254 56.112 55.803 0.091 0.000 0.902 275 Q CB -0.104 28.676 28.738 0.070 0.000 1.455 275 Q HN 0.750 nan 8.270 nan 0.000 0.515 276 Q N 0.894 120.733 119.800 0.066 0.000 3.323 276 Q HA 0.389 4.729 4.340 -0.000 0.000 0.329 276 Q C 0.006 176.019 176.000 0.021 0.000 0.939 276 Q CA -0.358 55.471 55.803 0.042 0.000 0.828 276 Q CB 0.765 29.532 28.738 0.049 0.000 1.564 276 Q HN 0.415 nan 8.270 nan 0.000 0.463 277 V N -1.030 118.892 119.914 0.013 0.000 3.416 277 V HA 0.132 4.252 4.120 -0.000 0.000 0.334 277 V C 0.133 176.209 176.094 -0.029 0.000 1.271 277 V CA 0.175 62.469 62.300 -0.011 0.000 1.274 277 V CB -1.434 30.384 31.823 -0.009 0.000 1.153 277 V HN 0.436 nan 8.190 nan 0.000 0.433 278 N N 1.513 120.206 118.700 -0.013 0.000 2.055 278 N HA 0.138 4.878 4.740 -0.000 0.000 0.199 278 N C 0.643 176.121 175.510 -0.054 0.000 1.162 278 N CA 1.300 54.334 53.050 -0.027 0.000 0.971 278 N CB -0.207 38.279 38.487 -0.001 0.000 1.083 278 N HN 0.474 nan 8.380 nan 0.000 0.434 279 S N -1.622 114.051 115.700 -0.045 0.000 2.828 279 S HA 0.319 4.789 4.470 -0.000 0.000 0.149 279 S C 0.494 175.065 174.600 -0.048 0.000 0.924 279 S CA -0.164 58.003 58.200 -0.054 0.000 1.044 279 S CB -0.492 62.659 63.200 -0.082 0.000 1.595 279 S HN 0.567 nan 8.310 nan 0.000 0.454 280 G N 1.386 110.168 108.800 -0.031 0.000 2.443 280 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.219 280 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.219 280 G C 0.854 175.704 174.900 -0.085 0.000 1.131 280 G CA 0.902 45.972 45.100 -0.050 0.000 0.775 280 G HN 1.358 nan 8.290 nan 0.000 0.547 281 T N 1.753 116.272 114.554 -0.058 0.000 2.418 281 T HA -0.210 4.140 4.350 -0.000 0.000 0.513 281 T C 0.545 175.162 174.700 -0.138 0.000 0.816 281 T CA 0.082 62.143 62.100 -0.066 0.000 3.342 281 T CB -1.130 67.714 68.868 -0.041 0.000 1.249 281 T HN 0.119 nan 8.240 nan 0.000 0.319 282 M N 5.251 124.659 119.600 -0.320 0.000 2.217 282 M HA 0.424 4.904 4.480 -0.000 0.000 0.354 282 M C 0.793 176.991 176.300 -0.169 0.000 1.225 282 M CA 0.306 55.390 55.300 -0.360 0.000 1.137 282 M CB 0.893 33.024 32.600 -0.782 0.000 1.576 282 M HN 0.721 nan 8.290 nan 0.000 0.461 283 R N 1.198 121.663 120.500 -0.059 0.000 2.781 283 R HA 0.818 5.158 4.340 -0.000 0.000 0.269 283 R C -0.657 175.694 176.300 0.085 0.000 1.025 283 R CA -1.001 55.127 56.100 0.048 0.000 0.914 283 R CB 0.738 31.131 30.300 0.154 0.000 1.236 283 R HN 0.696 nan 8.270 nan 0.000 0.465 284 A N 0.504 123.400 122.820 0.127 0.000 1.702 284 A HA -0.186 4.134 4.320 -0.000 0.000 0.229 284 A C 0.260 177.902 177.584 0.097 0.000 1.240 284 A CA 0.602 52.713 52.037 0.123 0.000 0.725 284 A CB -1.811 17.309 19.000 0.200 0.000 1.188 284 A HN 0.694 nan 8.150 nan 0.000 0.251 285 C N 1.615 120.965 119.300 0.083 0.000 2.640 285 C HA 0.476 4.936 4.460 -0.000 0.000 0.330 285 C C 1.538 176.618 174.990 0.150 0.000 1.416 285 C CA -0.322 58.770 59.018 0.122 0.000 2.396 285 C CB 0.439 28.248 27.740 0.115 0.000 2.330 285 C HN 0.916 nan 8.230 nan 0.000 0.704 286 R N 2.067 122.690 120.500 0.204 0.000 2.254 286 R HA 0.280 4.619 4.340 -0.000 0.000 0.318 286 R C -2.306 174.050 176.300 0.092 0.000 1.031 286 R CA -1.022 55.126 56.100 0.079 0.000 0.905 286 R CB 0.786 31.042 30.300 -0.073 0.000 1.050 286 R HN 0.514 nan 8.270 nan 0.000 0.456 287 P HA 0.087 nan 4.420 nan 0.000 0.269 287 P C -1.344 175.923 177.300 -0.055 0.000 1.209 287 P CA -0.170 62.932 63.100 0.004 0.000 0.776 287 P CB 0.765 32.484 31.700 0.033 0.000 0.876 288 N N 1.196 119.811 118.700 -0.141 0.000 2.455 288 N HA 0.281 5.020 4.740 -0.000 0.000 0.285 288 N C -1.599 173.921 175.510 0.017 0.000 1.080 288 N CA -0.376 52.662 53.050 -0.021 0.000 0.932 288 N CB 0.866 39.369 38.487 0.027 0.000 1.610 288 N HN 0.265 nan 8.380 nan 0.000 0.493 289 Y N 2.471 122.902 120.300 0.218 0.000 2.385 289 Y HA 0.442 4.992 4.550 -0.000 0.000 0.341 289 Y C 0.010 176.082 175.900 0.286 0.000 0.965 289 Y CA -0.753 57.592 58.100 0.408 0.000 1.180 289 Y CB 0.701 39.308 38.460 0.246 0.000 1.139 289 Y HN 0.293 nan 8.280 nan 0.000 0.502 290 I N 3.317 124.081 120.570 0.325 0.000 2.331 290 I HA 0.553 4.723 4.170 -0.000 0.000 0.292 290 I C 0.669 176.578 176.117 -0.347 0.000 0.998 290 I CA -0.167 61.044 61.300 -0.149 0.000 1.267 290 I CB 0.679 38.473 38.000 -0.345 0.000 1.386 290 I HN 0.821 nan 8.210 nan 0.000 0.476 291 G N 5.137 113.750 108.800 -0.312 0.000 3.008 291 G HA2 0.588 4.548 3.960 -0.000 0.000 0.148 291 G HA3 0.588 4.548 3.960 -0.000 0.000 0.148 291 G C -1.129 173.402 174.900 -0.616 0.000 1.184 291 G CA -0.110 44.731 45.100 -0.431 0.000 1.087 291 G HN 0.285 nan 8.290 nan 0.000 0.602 292 F N -0.313 119.643 119.950 0.010 0.000 3.043 292 F HA 0.749 5.275 4.527 -0.000 0.000 0.357 292 F C 0.409 176.238 175.800 0.047 0.000 1.302 292 F CA -0.877 57.152 58.000 0.048 0.000 1.069 292 F CB 1.065 40.143 39.000 0.130 0.000 1.539 292 F HN 0.127 nan 8.300 nan 0.000 0.505 293 R N 0.222 120.909 120.500 0.312 0.000 2.803 293 R HA 0.346 4.686 4.340 -0.000 0.000 0.276 293 R C -1.600 174.735 176.300 0.057 0.000 0.978 293 R CA -1.077 55.119 56.100 0.161 0.000 0.939 293 R CB 1.622 32.013 30.300 0.150 0.000 1.179 293 R HN 0.594 nan 8.270 nan 0.000 0.472 294 D N 1.149 121.576 120.400 0.046 0.000 2.601 294 D HA -0.162 4.478 4.640 -0.000 0.000 0.229 294 D C -0.337 175.920 176.300 -0.071 0.000 1.140 294 D CA 0.843 54.836 54.000 -0.011 0.000 0.862 294 D CB 0.170 41.010 40.800 0.068 0.000 1.192 294 D HN 0.665 nan 8.370 nan 0.000 0.480 295 N N 2.152 120.733 118.700 -0.197 0.000 2.707 295 N HA -0.271 4.468 4.740 -0.000 0.000 0.253 295 N C -0.397 175.006 175.510 -0.179 0.000 0.998 295 N CA 0.274 53.199 53.050 -0.209 0.000 0.751 295 N CB -1.316 37.241 38.487 0.116 0.000 0.920 295 N HN 0.428 nan 8.380 nan 0.000 0.539 296 F N -1.763 118.180 119.950 -0.011 0.000 2.863 296 F HA -0.275 4.252 4.527 -0.000 0.000 0.223 296 F C 1.021 176.822 175.800 0.002 0.000 1.034 296 F CA 0.245 58.215 58.000 -0.050 0.000 0.805 296 F CB -1.863 37.047 39.000 -0.150 0.000 0.658 296 F HN 0.280 nan 8.300 nan 0.000 0.815 297 I N 0.867 121.526 120.570 0.147 0.000 3.058 297 I HA -0.227 3.943 4.170 -0.000 0.000 0.299 297 I C 1.664 177.873 176.117 0.154 0.000 1.238 297 I CA 0.900 62.285 61.300 0.141 0.000 1.423 297 I CB 0.152 38.221 38.000 0.115 0.000 1.330 297 I HN 0.620 nan 8.210 nan 0.000 0.589 298 N N 1.579 120.357 118.700 0.129 0.000 3.888 298 N HA -0.273 4.467 4.740 -0.000 0.000 0.236 298 N C 1.041 176.561 175.510 0.017 0.000 0.326 298 N CA 1.327 54.418 53.050 0.069 0.000 2.720 298 N CB -0.755 37.788 38.487 0.094 0.000 1.517 298 N HN 0.501 nan 8.380 nan 0.000 0.311 299 L N 0.702 121.960 121.223 0.058 0.000 2.974 299 L HA -0.255 4.085 4.340 -0.000 0.000 0.209 299 L C 0.341 177.211 176.870 -0.001 0.000 3.092 299 L CA 2.449 57.317 54.840 0.047 0.000 0.654 299 L CB -1.218 40.870 42.059 0.049 0.000 2.281 299 L HN 0.519 nan 8.230 nan 0.000 0.388 300 L N -1.487 119.720 121.223 -0.028 0.000 2.275 300 L HA 0.295 4.635 4.340 -0.000 0.000 0.288 300 L C -0.484 176.167 176.870 -0.365 0.000 1.046 300 L CA -0.171 54.649 54.840 -0.033 0.000 0.805 300 L CB 0.198 42.347 42.059 0.150 0.000 1.193 300 L HN -0.020 nan 8.230 nan 0.000 0.426 301 Y N 3.605 123.823 120.300 -0.137 0.000 2.713 301 Y HA 0.134 4.684 4.550 -0.000 0.000 0.341 301 Y C 0.426 176.269 175.900 -0.095 0.000 1.167 301 Y CA 0.581 58.602 58.100 -0.132 0.000 1.503 301 Y CB -0.408 38.031 38.460 -0.034 0.000 1.199 301 Y HN 0.419 nan 8.280 nan 0.000 0.525 302 H N 3.227 122.512 119.070 0.359 0.000 2.589 302 H HA 0.232 4.788 4.556 -0.000 0.000 0.351 302 H C -0.110 175.338 175.328 0.200 0.000 1.074 302 H CA -1.336 54.898 56.048 0.310 0.000 1.203 302 H CB 1.747 31.679 29.762 0.283 0.000 1.558 302 H HN 0.713 nan 8.280 nan 0.000 0.522 303 D N 0.764 121.331 120.400 0.278 0.000 3.110 303 D HA -0.137 4.503 4.640 -0.000 0.000 0.214 303 D C -0.512 175.843 176.300 0.091 0.000 1.112 303 D CA 0.873 54.966 54.000 0.155 0.000 0.927 303 D CB -1.767 39.123 40.800 0.150 0.000 1.095 303 D HN 0.510 nan 8.370 nan 0.000 0.429 304 S N -0.792 114.956 115.700 0.081 0.000 2.217 304 S HA 0.549 5.019 4.470 -0.000 0.000 0.168 304 S C 1.741 176.307 174.600 -0.057 0.000 1.526 304 S CA -0.198 58.018 58.200 0.027 0.000 1.150 304 S CB 1.101 64.352 63.200 0.084 0.000 1.158 304 S HN 0.326 nan 8.310 nan 0.000 0.473 305 G N 2.012 110.778 108.800 -0.056 0.000 2.803 305 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.227 305 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.227 305 G C 1.219 176.047 174.900 -0.119 0.000 1.129 305 G CA 1.613 46.661 45.100 -0.087 0.000 0.755 305 G HN 0.558 nan 8.290 nan 0.000 0.634 306 V N -0.189 119.656 119.914 -0.115 0.000 2.255 306 V HA -0.163 3.957 4.120 -0.000 0.000 0.247 306 V C 2.135 178.100 176.094 -0.216 0.000 1.051 306 V CA 1.736 63.952 62.300 -0.140 0.000 1.018 306 V CB -0.200 31.553 31.823 -0.116 0.000 0.641 306 V HN 0.473 nan 8.190 nan 0.000 0.445 307 C N 0.713 119.844 119.300 -0.282 0.000 2.339 307 C HA 0.395 4.855 4.460 -0.000 0.000 0.361 307 C C 1.080 175.855 174.990 -0.359 0.000 1.378 307 C CA -0.815 57.953 59.018 -0.417 0.000 1.763 307 C CB -1.443 25.811 27.740 -0.809 0.000 2.632 307 C HN 0.436 nan 8.230 nan 0.000 0.576 308 S N 0.879 116.394 115.700 -0.309 0.000 2.499 308 S HA 0.484 4.954 4.470 -0.000 0.000 0.275 308 S C 1.089 175.315 174.600 -0.622 0.000 1.257 308 S CA 0.075 58.071 58.200 -0.341 0.000 1.050 308 S CB 0.496 63.566 63.200 -0.217 0.000 0.937 308 S HN 0.757 nan 8.310 nan 0.000 0.490 309 G N 3.109 111.183 108.800 -1.210 0.000 2.492 309 G HA2 0.186 4.146 3.960 -0.000 0.000 0.353 309 G HA3 0.186 4.146 3.960 -0.000 0.000 0.353 309 G C -0.246 174.155 174.900 -0.832 0.000 1.297 309 G CA 0.269 44.105 45.100 -2.106 0.000 1.192 309 G HN 0.804 nan 8.290 nan 0.000 0.677 310 T N -0.095 114.265 114.554 -0.324 0.000 4.341 310 T HA 0.189 4.539 4.350 -0.000 0.000 0.215 310 T C 0.085 174.950 174.700 0.275 0.000 0.947 310 T CA -0.500 61.616 62.100 0.026 0.000 1.470 310 T CB -0.307 68.541 68.868 -0.034 0.000 0.786 310 T HN 0.620 nan 8.240 nan 0.000 0.603 311 L N 2.101 123.520 121.223 0.325 0.000 2.476 311 L HA 0.653 4.992 4.340 -0.000 0.000 0.264 311 L C -0.552 176.384 176.870 0.110 0.000 1.224 311 L CA 0.157 55.081 54.840 0.140 0.000 0.821 311 L CB 0.467 42.480 42.059 -0.077 0.000 1.101 311 L HN 0.635 nan 8.230 nan 0.000 0.488 312 N N 0.993 119.749 118.700 0.092 0.000 4.919 312 N HA 0.028 4.768 4.740 -0.000 0.000 0.180 312 N C -1.424 174.162 175.510 0.126 0.000 1.062 312 N CA -0.455 52.642 53.050 0.078 0.000 1.028 312 N CB 0.516 39.054 38.487 0.085 0.000 1.574 312 N HN 0.640 nan 8.380 nan 0.000 0.679 313 S N -0.308 115.456 115.700 0.107 0.000 2.641 313 S HA 0.238 4.708 4.470 -0.000 0.000 0.261 313 S C 0.816 175.513 174.600 0.161 0.000 1.257 313 S CA 0.196 58.532 58.200 0.227 0.000 0.983 313 S CB 0.919 64.239 63.200 0.200 0.000 0.990 313 S HN 0.597 nan 8.310 nan 0.000 0.572 314 E N 0.007 120.303 120.200 0.160 0.000 2.152 314 E HA 0.149 4.499 4.350 -0.000 0.000 0.195 314 E C 2.153 178.798 176.600 0.076 0.000 0.934 314 E CA -0.152 56.304 56.400 0.094 0.000 0.869 314 E CB -0.135 29.606 29.700 0.068 0.000 0.842 314 E HN 0.638 nan 8.360 nan 0.000 0.472 315 R N 0.540 121.092 120.500 0.086 0.000 2.226 315 R HA -0.130 4.209 4.340 -0.000 0.000 0.246 315 R C 1.268 177.602 176.300 0.056 0.000 1.161 315 R CA 1.815 57.954 56.100 0.066 0.000 0.997 315 R CB 0.079 30.425 30.300 0.078 0.000 0.870 315 R HN 0.146 nan 8.270 nan 0.000 0.465 316 S N -2.983 112.754 115.700 0.062 0.000 2.911 316 S HA 0.127 4.597 4.470 -0.000 0.000 0.261 316 S C 0.630 175.256 174.600 0.044 0.000 1.021 316 S CA 0.021 58.248 58.200 0.045 0.000 1.222 316 S CB 0.783 64.007 63.200 0.040 0.000 1.171 316 S HN 0.337 nan 8.310 nan 0.000 0.669 317 G N 2.744 111.577 108.800 0.055 0.000 1.980 317 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.241 317 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.241 317 G C -0.169 174.755 174.900 0.041 0.000 0.728 317 G CA 0.907 46.039 45.100 0.052 0.000 0.968 317 G HN 0.558 nan 8.290 nan 0.000 0.377 318 M N 0.582 120.206 119.600 0.040 0.000 2.181 318 M HA 0.320 4.800 4.480 -0.000 0.000 0.323 318 M C -0.060 176.267 176.300 0.045 0.000 1.004 318 M CA -1.372 53.951 55.300 0.038 0.000 0.941 318 M CB 1.626 34.248 32.600 0.036 0.000 1.579 318 M HN 0.075 nan 8.290 nan 0.000 0.427 319 N N 1.937 120.665 118.700 0.046 0.000 2.483 319 N HA 0.190 4.930 4.740 -0.000 0.000 0.264 319 N C 0.209 175.772 175.510 0.087 0.000 1.197 319 N CA -0.154 52.929 53.050 0.056 0.000 0.927 319 N CB 1.025 39.531 38.487 0.031 0.000 1.065 319 N HN 0.681 nan 8.380 nan 0.000 0.461 320 V N 1.227 121.204 119.914 0.105 0.000 3.271 320 V HA 0.343 4.463 4.120 -0.000 0.000 0.327 320 V C 0.175 176.447 176.094 0.297 0.000 1.389 320 V CA -0.331 62.068 62.300 0.165 0.000 1.156 320 V CB -0.023 31.842 31.823 0.071 0.000 1.103 320 V HN 0.245 nan 8.190 nan 0.000 0.453 321 V N 0.741 120.785 119.914 0.215 0.000 2.443 321 V HA 0.595 4.715 4.120 -0.000 0.000 0.293 321 V C -0.580 175.544 176.094 0.050 0.000 1.021 321 V CA -0.348 62.054 62.300 0.170 0.000 0.848 321 V CB 1.912 33.734 31.823 -0.002 0.000 0.998 321 V HN 0.181 nan 8.190 nan 0.000 0.424 322 V N 5.515 125.456 119.914 0.044 0.000 2.498 322 V HA 0.301 4.421 4.120 -0.000 0.000 0.283 322 V C 0.133 176.171 176.094 -0.093 0.000 1.015 322 V CA -0.786 61.471 62.300 -0.072 0.000 0.867 322 V CB 1.656 33.422 31.823 -0.096 0.000 1.025 322 V HN 0.997 nan 8.190 nan 0.000 0.441 323 E N 5.535 125.710 120.200 -0.042 0.000 2.371 323 E HA 0.618 4.967 4.350 -0.000 0.000 0.257 323 E C -0.779 175.804 176.600 -0.028 0.000 1.134 323 E CA -0.581 55.832 56.400 0.020 0.000 0.919 323 E CB 1.547 31.302 29.700 0.090 0.000 1.025 323 E HN 0.457 nan 8.360 nan 0.000 0.438 324 L N -0.115 121.098 121.223 -0.018 0.000 2.558 324 L HA 0.254 4.594 4.340 -0.000 0.000 0.260 324 L C 0.911 177.771 176.870 -0.016 0.000 1.130 324 L CA -0.871 53.942 54.840 -0.046 0.000 1.049 324 L CB 0.509 42.522 42.059 -0.077 0.000 1.758 324 L HN 0.516 nan 8.230 nan 0.000 0.555 325 Q N -0.444 119.336 119.800 -0.032 0.000 2.157 325 Q HA 0.168 4.508 4.340 -0.000 0.000 0.229 325 Q C -0.660 175.333 176.000 -0.012 0.000 0.827 325 Q CA 0.000 55.794 55.803 -0.015 0.000 1.055 325 Q CB 0.701 29.415 28.738 -0.039 0.000 1.157 325 Q HN 0.510 nan 8.270 nan 0.000 0.482 326 D N -0.492 119.894 120.400 -0.023 0.000 2.502 326 D HA 0.074 4.714 4.640 -0.000 0.000 0.232 326 D C 0.158 176.450 176.300 -0.013 0.000 1.137 326 D CA -0.020 53.967 54.000 -0.022 0.000 0.827 326 D CB 0.697 41.443 40.800 -0.091 0.000 1.141 326 D HN 0.024 nan 8.370 nan 0.000 0.517 327 R N 2.425 122.918 120.500 -0.012 0.000 3.701 327 R HA 0.111 4.451 4.340 -0.000 0.000 0.210 327 R C 0.271 176.583 176.300 0.020 0.000 1.598 327 R CA -0.305 55.787 56.100 -0.012 0.000 1.427 327 R CB -0.222 30.084 30.300 0.010 0.000 1.339 327 R HN -0.013 nan 8.270 nan 0.000 0.720 328 N N 1.148 119.836 118.700 -0.020 0.000 2.365 328 N HA -0.073 4.667 4.740 -0.000 0.000 0.265 328 N C 0.160 175.654 175.510 -0.027 0.000 1.288 328 N CA 0.803 53.799 53.050 -0.090 0.000 0.869 328 N CB 1.041 39.387 38.487 -0.235 0.000 1.071 328 N HN 0.264 nan 8.380 nan 0.000 0.480 329 T N 3.224 117.790 114.554 0.021 0.000 3.053 329 T HA 0.033 4.383 4.350 -0.000 0.000 0.236 329 T C 1.391 176.114 174.700 0.038 0.000 0.996 329 T CA 0.055 62.187 62.100 0.054 0.000 1.185 329 T CB 0.002 68.916 68.868 0.076 0.000 0.892 329 T HN 0.440 nan 8.240 nan 0.000 0.432 330 E N 1.702 121.935 120.200 0.055 0.000 2.045 330 E HA -0.176 4.174 4.350 -0.000 0.000 0.212 330 E C 2.195 178.823 176.600 0.046 0.000 1.039 330 E CA 1.105 57.543 56.400 0.063 0.000 0.860 330 E CB -0.859 28.876 29.700 0.058 0.000 0.776 330 E HN 0.198 nan 8.360 nan 0.000 0.467 331 L N 1.254 122.443 121.223 -0.058 0.000 2.197 331 L HA -0.216 4.124 4.340 -0.000 0.000 0.215 331 L C 2.411 179.279 176.870 -0.003 0.000 1.095 331 L CA 1.949 56.744 54.840 -0.076 0.000 0.764 331 L CB -0.615 41.316 42.059 -0.213 0.000 0.897 331 L HN 0.065 nan 8.230 nan 0.000 0.436 332 S N -1.702 114.020 115.700 0.037 0.000 2.325 332 S HA -0.262 4.208 4.470 -0.000 0.000 0.213 332 S C 2.024 176.762 174.600 0.230 0.000 1.031 332 S CA 1.086 59.357 58.200 0.118 0.000 0.984 332 S CB -0.806 62.476 63.200 0.136 0.000 0.939 332 S HN 0.606 nan 8.310 nan 0.000 0.438 333 Y N 2.354 122.698 120.300 0.073 0.000 2.132 333 Y HA -0.244 4.306 4.550 -0.000 0.000 0.280 333 Y C 2.413 178.358 175.900 0.075 0.000 1.193 333 Y CA 2.524 60.652 58.100 0.047 0.000 1.157 333 Y CB -0.441 37.998 38.460 -0.035 0.000 0.966 333 Y HN 0.381 nan 8.280 nan 0.000 0.511 334 Q N -1.497 118.413 119.800 0.183 0.000 2.364 334 Q HA -0.175 4.165 4.340 -0.000 0.000 0.207 334 Q C 1.740 177.772 176.000 0.054 0.000 0.970 334 Q CA 1.236 57.100 55.803 0.101 0.000 0.888 334 Q CB -0.785 28.034 28.738 0.135 0.000 0.951 334 Q HN 0.648 nan 8.270 nan 0.000 0.469 335 Y N 0.533 120.774 120.300 -0.099 0.000 2.262 335 Y HA 0.080 4.629 4.550 -0.000 0.000 0.295 335 Y C 2.164 178.186 175.900 0.205 0.000 1.121 335 Y CA 0.863 58.860 58.100 -0.173 0.000 1.144 335 Y CB 0.002 38.355 38.460 -0.178 0.000 1.043 335 Y HN 0.058 nan 8.280 nan 0.000 0.528 336 M N -0.772 119.017 119.600 0.315 0.000 2.549 336 M HA -0.123 4.357 4.480 -0.000 0.000 0.260 336 M C 1.355 177.536 176.300 -0.199 0.000 1.076 336 M CA 1.061 56.335 55.300 -0.043 0.000 1.090 336 M CB 0.008 32.539 32.600 -0.114 0.000 1.418 336 M HN 0.292 nan 8.290 nan 0.000 0.486 337 L N 0.121 121.227 121.223 -0.195 0.000 2.145 337 L HA 0.075 4.415 4.340 -0.000 0.000 0.201 337 L C 2.482 179.300 176.870 -0.086 0.000 1.075 337 L CA 1.693 56.397 54.840 -0.227 0.000 0.773 337 L CB -1.258 40.610 42.059 -0.318 0.000 0.936 337 L HN 0.361 nan 8.230 nan 0.000 0.451 338 A N -0.130 122.740 122.820 0.084 0.000 1.948 338 A HA -0.292 4.028 4.320 -0.000 0.000 0.220 338 A C 1.987 179.547 177.584 -0.039 0.000 1.177 338 A CA 1.994 54.085 52.037 0.090 0.000 0.636 338 A CB -0.744 18.423 19.000 0.278 0.000 0.815 338 A HN 0.530 nan 8.150 nan 0.000 0.449 339 D N 0.417 120.885 120.400 0.112 0.000 2.137 339 D HA -0.228 4.412 4.640 -0.000 0.000 0.189 339 D C 2.089 178.365 176.300 -0.040 0.000 0.998 339 D CA 2.295 56.392 54.000 0.161 0.000 0.839 339 D CB -0.322 40.538 40.800 0.100 0.000 0.962 339 D HN 0.627 nan 8.370 nan 0.000 0.446 340 M N -1.218 118.296 119.600 -0.143 0.000 2.562 340 M HA 0.139 4.619 4.480 -0.000 0.000 0.257 340 M C -0.010 176.124 176.300 -0.277 0.000 1.099 340 M CA 0.344 55.543 55.300 -0.169 0.000 1.099 340 M CB -0.104 32.404 32.600 -0.153 0.000 1.427 340 M HN 0.022 nan 8.290 nan 0.000 0.489 341 M N -1.561 117.804 119.600 -0.391 0.000 2.484 341 M HA 0.381 4.861 4.480 -0.000 0.000 0.292 341 M C -0.561 175.432 176.300 -0.512 0.000 1.123 341 M CA -0.668 54.333 55.300 -0.499 0.000 0.910 341 M CB 1.347 33.660 32.600 -0.479 0.000 1.782 341 M HN -0.060 nan 8.290 nan 0.000 0.512 342 S N 1.461 116.840 115.700 -0.535 0.000 2.811 342 S HA 0.041 4.511 4.470 -0.000 0.000 0.325 342 S C 1.165 175.701 174.600 -0.107 0.000 1.224 342 S CA 0.057 58.081 58.200 -0.294 0.000 1.125 342 S CB 0.233 63.356 63.200 -0.130 0.000 0.867 342 S HN 0.764 nan 8.310 nan 0.000 0.512 343 R N 2.853 123.390 120.500 0.062 0.000 2.316 343 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 343 R C 0.995 177.455 176.300 0.266 0.000 1.137 343 R CA 0.973 57.178 56.100 0.175 0.000 1.012 343 R CB -1.183 29.279 30.300 0.268 0.000 0.859 343 R HN 0.905 nan 8.270 nan 0.000 0.474 344 H N 0.038 119.230 119.070 0.203 0.000 3.262 344 H HA 0.094 4.650 4.556 -0.000 0.000 0.270 344 H C -0.724 174.760 175.328 0.260 0.000 1.431 344 H CA -0.100 56.073 56.048 0.208 0.000 1.237 344 H CB -0.939 28.877 29.762 0.089 0.000 1.443 344 H HN 0.010 nan 8.280 nan 0.000 0.609 345 H N -0.174 118.844 119.070 -0.086 0.000 2.615 345 H HA 0.259 4.815 4.556 -0.000 0.000 0.346 345 H C -0.836 174.632 175.328 0.235 0.000 1.200 345 H CA -0.816 55.169 56.048 -0.105 0.000 1.264 345 H CB 0.662 30.388 29.762 -0.060 0.000 1.699 345 H HN 0.253 nan 8.280 nan 0.000 0.567 346 Y N 1.188 121.358 120.300 -0.216 0.000 2.672 346 Y HA 0.163 4.713 4.550 -0.000 0.000 0.272 346 Y C -0.524 175.375 175.900 -0.003 0.000 1.055 346 Y CA -0.902 57.084 58.100 -0.191 0.000 1.151 346 Y CB -0.074 38.173 38.460 -0.354 0.000 1.190 346 Y HN 0.406 nan 8.280 nan 0.000 0.574 347 F N 1.387 121.337 119.950 -0.000 0.000 2.538 347 F HA 0.271 4.797 4.527 -0.000 0.000 0.382 347 F C 1.216 177.010 175.800 -0.011 0.000 1.069 347 F CA -0.511 57.481 58.000 -0.012 0.000 1.138 347 F CB 0.435 39.446 39.000 0.018 0.000 1.068 347 F HN 0.266 nan 8.300 nan 0.000 0.556 348 A N 6.252 129.224 122.820 0.253 0.000 2.015 348 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 348 A C 2.002 179.521 177.584 -0.108 0.000 1.163 348 A CA 1.037 53.144 52.037 0.116 0.000 0.646 348 A CB -0.591 18.526 19.000 0.196 0.000 0.806 348 A HN 0.799 nan 8.150 nan 0.000 0.448 349 L N -0.674 120.261 121.223 -0.480 0.000 1.908 349 L HA -0.147 4.193 4.340 -0.000 0.000 0.227 349 L C 1.872 178.527 176.870 -0.359 0.000 1.087 349 L CA 2.034 56.425 54.840 -0.748 0.000 0.797 349 L CB -0.787 40.163 42.059 -1.849 0.000 0.893 349 L HN 0.596 nan 8.230 nan 0.000 0.432 350 W N 0.591 121.515 121.300 -0.627 0.000 3.143 350 W HA -0.077 4.583 4.660 -0.000 0.000 0.260 350 W C 0.702 176.928 176.519 -0.489 0.000 1.330 350 W CA -0.042 57.089 57.345 -0.357 0.000 1.402 350 W CB -1.051 28.280 29.460 -0.215 0.000 1.093 350 W HN 0.483 nan 8.180 nan 0.000 0.713 351 N N 1.172 119.696 118.700 -0.294 0.000 2.702 351 N HA -0.282 4.458 4.740 -0.000 0.000 0.255 351 N C 0.043 175.410 175.510 -0.238 0.000 0.983 351 N CA 0.775 53.572 53.050 -0.421 0.000 0.768 351 N CB -0.624 37.153 38.487 -1.184 0.000 0.918 351 N HN 0.365 nan 8.380 nan 0.000 0.540 352 Q N 0.407 120.177 119.800 -0.050 0.000 2.314 352 Q HA 0.517 4.857 4.340 -0.000 0.000 0.257 352 Q C -0.748 175.233 176.000 -0.032 0.000 0.975 352 Q CA 0.039 55.872 55.803 0.049 0.000 0.933 352 Q CB 0.631 29.491 28.738 0.204 0.000 1.195 352 Q HN 0.407 nan 8.270 nan 0.000 0.426 353 A N 4.293 127.107 122.820 -0.010 0.000 2.730 353 A HA 0.149 4.469 4.320 -0.000 0.000 0.280 353 A C -0.798 176.854 177.584 0.113 0.000 1.307 353 A CA -0.599 51.400 52.037 -0.062 0.000 0.933 353 A CB 0.188 19.037 19.000 -0.252 0.000 1.431 353 A HN 0.597 nan 8.150 nan 0.000 0.601 354 V N 1.821 121.851 119.914 0.193 0.000 2.975 354 V HA -0.004 4.116 4.120 -0.000 0.000 0.300 354 V C -0.024 176.226 176.094 0.261 0.000 1.186 354 V CA 0.895 63.325 62.300 0.216 0.000 1.311 354 V CB 0.399 32.367 31.823 0.241 0.000 0.917 354 V HN 0.705 nan 8.190 nan 0.000 0.512 355 D N 5.329 125.905 120.400 0.293 0.000 2.277 355 D HA 0.491 5.131 4.640 -0.000 0.000 0.249 355 D C -0.650 175.856 176.300 0.343 0.000 1.134 355 D CA -0.154 54.054 54.000 0.346 0.000 0.863 355 D CB 1.598 42.658 40.800 0.434 0.000 1.143 355 D HN 0.679 nan 8.370 nan 0.000 0.458 356 Q N 0.947 120.820 119.800 0.122 0.000 2.353 356 Q HA 0.325 4.665 4.340 -0.000 0.000 0.275 356 Q C -0.848 174.925 176.000 -0.378 0.000 1.029 356 Q CA -0.957 54.726 55.803 -0.201 0.000 0.848 356 Q CB 0.389 29.037 28.738 -0.150 0.000 1.390 356 Q HN 0.481 nan 8.270 nan 0.000 0.401 357 Y N -1.012 119.029 120.300 -0.431 0.000 2.455 357 Y HA 0.629 5.179 4.550 -0.000 0.000 0.398 357 Y C 0.153 175.608 175.900 -0.742 0.000 1.386 357 Y CA -1.006 56.797 58.100 -0.495 0.000 1.816 357 Y CB 0.434 38.679 38.460 -0.358 0.000 1.740 357 Y HN 0.600 nan 8.280 nan 0.000 0.612 358 D N -0.458 119.736 120.400 -0.343 0.000 2.329 358 D HA 0.065 4.705 4.640 -0.000 0.000 0.232 358 D C 0.693 177.111 176.300 0.196 0.000 1.088 358 D CA -0.271 53.684 54.000 -0.075 0.000 0.835 358 D CB 0.513 41.403 40.800 0.150 0.000 1.078 358 D HN 0.820 nan 8.370 nan 0.000 0.495 359 H N 4.832 124.028 119.070 0.210 0.000 2.522 359 H HA -0.264 4.292 4.556 -0.000 0.000 0.289 359 H C 0.741 176.204 175.328 0.225 0.000 1.070 359 H CA 2.679 58.837 56.048 0.183 0.000 1.128 359 H CB -0.285 29.567 29.762 0.148 0.000 1.440 359 H HN 0.506 nan 8.280 nan 0.000 0.651 360 D N -0.403 119.589 120.400 -0.680 0.000 2.315 360 D HA -0.186 4.454 4.640 -0.000 0.000 0.198 360 D C 2.330 178.639 176.300 0.015 0.000 1.010 360 D CA 1.938 55.683 54.000 -0.425 0.000 0.911 360 D CB -0.117 40.689 40.800 0.009 0.000 0.897 360 D HN 0.351 nan 8.370 nan 0.000 0.455 361 V N 0.635 120.577 119.914 0.046 0.000 2.331 361 V HA -0.162 3.958 4.120 -0.000 0.000 0.242 361 V C 2.367 178.374 176.094 -0.146 0.000 1.034 361 V CA 1.243 63.505 62.300 -0.063 0.000 1.027 361 V CB -0.423 31.329 31.823 -0.117 0.000 0.667 361 V HN 0.015 nan 8.190 nan 0.000 0.457 362 R N 2.125 122.566 120.500 -0.098 0.000 2.147 362 R HA -0.133 4.207 4.340 -0.000 0.000 0.225 362 R C 1.133 177.404 176.300 -0.049 0.000 1.120 362 R CA 2.357 58.361 56.100 -0.160 0.000 0.891 362 R CB -1.095 29.108 30.300 -0.163 0.000 0.822 362 R HN 0.455 nan 8.270 nan 0.000 0.433 363 V N 0.262 120.213 119.914 0.062 0.000 2.287 363 V HA 0.254 4.374 4.120 -0.000 0.000 0.246 363 V C 0.086 176.305 176.094 0.207 0.000 1.165 363 V CA -1.075 61.298 62.300 0.123 0.000 1.088 363 V CB -0.757 31.175 31.823 0.181 0.000 1.242 363 V HN 0.194 nan 8.190 nan 0.000 0.497 364 F N 4.656 124.616 119.950 0.016 0.000 2.604 364 F HA 0.181 4.708 4.527 -0.000 0.000 0.393 364 F C 0.611 176.478 175.800 0.113 0.000 1.043 364 F CA 0.110 58.135 58.000 0.041 0.000 1.227 364 F CB -0.192 38.833 39.000 0.041 0.000 1.016 364 F HN 0.629 nan 8.300 nan 0.000 0.556 365 N N 5.097 123.969 118.700 0.287 0.000 2.479 365 N HA 0.090 4.830 4.740 -0.000 0.000 0.261 365 N C -1.243 174.213 175.510 -0.090 0.000 0.979 365 N CA -0.371 52.725 53.050 0.076 0.000 0.930 365 N CB 0.814 39.409 38.487 0.181 0.000 1.172 365 N HN 0.473 nan 8.380 nan 0.000 0.499 366 N N 1.746 120.274 118.700 -0.288 0.000 2.800 366 N HA 0.073 4.813 4.740 -0.000 0.000 0.240 366 N C 0.302 175.786 175.510 -0.043 0.000 1.096 366 N CA -0.388 52.499 53.050 -0.272 0.000 0.877 366 N CB 0.549 38.693 38.487 -0.571 0.000 1.138 366 N HN 0.502 nan 8.380 nan 0.000 0.509 367 D N 1.173 121.612 120.400 0.066 0.000 2.340 367 D HA 0.079 4.719 4.640 -0.000 0.000 0.220 367 D C 1.142 177.544 176.300 0.170 0.000 1.039 367 D CA 0.647 54.708 54.000 0.101 0.000 0.866 367 D CB 0.421 41.288 40.800 0.112 0.000 0.913 367 D HN 0.547 nan 8.370 nan 0.000 0.523 368 G N 1.049 109.958 108.800 0.182 0.000 5.045 368 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.229 368 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.229 368 G C 0.258 175.374 174.900 0.360 0.000 1.440 368 G CA 1.169 46.410 45.100 0.236 0.000 0.936 368 G HN 0.770 nan 8.290 nan 0.000 0.690 369 Y N -0.697 119.668 120.300 0.109 0.000 3.113 369 Y HA 0.627 5.177 4.550 -0.000 0.000 0.418 369 Y C -1.348 174.589 175.900 0.062 0.000 1.250 369 Y CA -0.324 57.833 58.100 0.094 0.000 1.142 369 Y CB 0.010 38.529 38.460 0.099 0.000 2.347 369 Y HN 1.541 nan 8.280 nan 0.000 0.405 370 E N 1.182 121.058 120.200 -0.539 0.000 2.451 370 E HA 0.543 4.893 4.350 -0.000 0.000 0.295 370 E C -2.138 174.116 176.600 -0.576 0.000 0.966 370 E CA -0.222 55.803 56.400 -0.625 0.000 0.808 370 E CB 2.029 31.610 29.700 -0.199 0.000 1.242 370 E HN 0.826 nan 8.360 nan 0.000 0.412 371 E N 1.846 121.715 120.200 -0.552 0.000 2.336 371 E HA 0.811 5.161 4.350 -0.000 0.000 0.267 371 E C -0.269 176.238 176.600 -0.155 0.000 0.906 371 E CA -0.299 55.928 56.400 -0.288 0.000 0.781 371 E CB 1.694 31.246 29.700 -0.247 0.000 1.261 371 E HN 0.540 nan 8.360 nan 0.000 0.436 372 G N 0.749 109.501 108.800 -0.079 0.000 2.487 372 G HA2 0.230 4.190 3.960 -0.000 0.000 0.212 372 G HA3 0.230 4.190 3.960 -0.000 0.000 0.212 372 G C -0.631 174.257 174.900 -0.020 0.000 1.988 372 G CA 0.106 45.178 45.100 -0.047 0.000 0.724 372 G HN 0.391 nan 8.290 nan 0.000 0.755 373 V N 3.236 123.147 119.914 -0.005 0.000 2.432 373 V HA 0.345 4.465 4.120 -0.000 0.000 0.275 373 V C -2.011 174.104 176.094 0.037 0.000 1.043 373 V CA -1.747 60.554 62.300 0.003 0.000 0.925 373 V CB 1.107 32.929 31.823 -0.003 0.000 0.985 373 V HN 0.409 nan 8.190 nan 0.000 0.466 374 P HA 0.072 nan 4.420 nan 0.000 0.259 374 P C -0.089 177.311 177.300 0.167 0.000 1.211 374 P CA 0.206 63.411 63.100 0.175 0.000 0.810 374 P CB -0.075 31.752 31.700 0.213 0.000 0.815 375 T N 4.340 119.061 114.554 0.278 0.000 2.771 375 T HA 0.362 4.712 4.350 -0.000 0.000 0.291 375 T C 0.104 175.150 174.700 0.577 0.000 0.954 375 T CA -0.231 62.055 62.100 0.310 0.000 1.045 375 T CB 0.545 69.541 68.868 0.212 0.000 0.917 375 T HN 0.256 nan 8.240 nan 0.000 0.484 376 Y N 0.492 120.901 120.300 0.181 0.000 2.534 376 Y HA 0.628 5.178 4.550 -0.000 0.000 0.329 376 Y C 0.604 176.703 175.900 0.333 0.000 1.154 376 Y CA -1.882 56.257 58.100 0.065 0.000 1.192 376 Y CB 1.492 39.721 38.460 -0.384 0.000 1.275 376 Y HN 0.709 nan 8.280 nan 0.000 0.491 377 A N 1.787 124.819 122.820 0.352 0.000 2.312 377 A HA 0.788 5.108 4.320 -0.000 0.000 0.328 377 A C -1.422 176.480 177.584 0.530 0.000 1.158 377 A CA -0.472 51.849 52.037 0.473 0.000 0.821 377 A CB 0.317 19.458 19.000 0.234 0.000 1.170 377 A HN 0.680 nan 8.150 nan 0.000 0.490 378 F N 1.054 121.091 119.950 0.146 0.000 2.577 378 F HA 0.361 4.888 4.527 -0.000 0.000 0.318 378 F C 0.179 176.044 175.800 0.108 0.000 1.065 378 F CA -1.362 56.722 58.000 0.140 0.000 0.929 378 F CB 1.384 40.450 39.000 0.109 0.000 1.237 378 F HN 0.271 nan 8.300 nan 0.000 0.468 379 L N 5.562 126.962 121.223 0.295 0.000 2.700 379 L HA -0.019 4.320 4.340 -0.000 0.000 0.276 379 L C -1.291 175.673 176.870 0.156 0.000 1.200 379 L CA -0.945 54.005 54.840 0.184 0.000 0.951 379 L CB 0.136 42.282 42.059 0.144 0.000 1.226 379 L HN 0.455 nan 8.230 nan 0.000 0.489 380 P HA -0.116 nan 4.420 nan 0.000 0.212 380 P C -0.501 176.839 177.300 0.067 0.000 1.180 380 P CA 0.301 63.453 63.100 0.086 0.000 0.902 380 P CB 0.113 31.858 31.700 0.074 0.000 0.778 381 D N -0.407 120.029 120.400 0.059 0.000 4.201 381 D HA -0.126 4.514 4.640 -0.000 0.000 0.238 381 D C 1.359 177.691 176.300 0.055 0.000 1.070 381 D CA 1.073 55.099 54.000 0.043 0.000 1.208 381 D CB -1.313 39.502 40.800 0.024 0.000 0.825 381 D HN 0.378 nan 8.370 nan 0.000 0.404 382 G N 3.054 111.905 108.800 0.084 0.000 3.130 382 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.309 382 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.309 382 G C 0.797 175.854 174.900 0.260 0.000 1.284 382 G CA 2.900 48.108 45.100 0.179 0.000 1.295 382 G HN 0.957 nan 8.290 nan 0.000 1.019 383 H N -2.592 116.482 119.070 0.006 0.000 2.170 383 H HA 0.122 4.678 4.556 -0.000 0.000 0.131 383 H C 2.354 177.683 175.328 0.002 0.000 1.173 383 H CA 0.953 57.002 56.048 0.002 0.000 1.147 383 H CB -0.640 29.122 29.762 0.000 0.000 0.697 383 H HN 0.916 nan 8.280 nan 0.000 0.259 384 G N 1.455 109.888 108.800 -0.612 0.000 2.657 384 G HA2 0.174 4.134 3.960 -0.000 0.000 0.210 384 G HA3 0.174 4.134 3.960 -0.000 0.000 0.210 384 G C 0.756 175.553 174.900 -0.171 0.000 1.145 384 G CA 1.204 46.101 45.100 -0.339 0.000 0.776 384 G HN 0.783 nan 8.290 nan 0.000 0.540 385 A N -1.624 121.123 122.820 -0.122 0.000 3.132 385 A HA 0.815 5.135 4.320 -0.000 0.000 0.202 385 A C 1.637 179.211 177.584 -0.016 0.000 1.689 385 A CA 0.771 52.772 52.037 -0.059 0.000 1.770 385 A CB -0.204 18.767 19.000 -0.049 0.000 1.510 385 A HN 1.367 nan 8.150 nan 0.000 0.470 386 G N -1.391 107.415 108.800 0.010 0.000 2.796 386 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.198 386 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.198 386 G C -0.218 174.720 174.900 0.064 0.000 1.062 386 G CA 0.533 45.656 45.100 0.038 0.000 0.752 386 G HN 1.169 nan 8.290 nan 0.000 0.487 387 E N 1.029 121.253 120.200 0.042 0.000 2.212 387 E HA 0.744 5.094 4.350 -0.000 0.000 0.268 387 E C 0.002 176.618 176.600 0.026 0.000 0.902 387 E CA -0.418 56.010 56.400 0.046 0.000 0.779 387 E CB 2.293 32.013 29.700 0.033 0.000 1.172 387 E HN 0.104 nan 8.360 nan 0.000 0.409 388 D N 1.258 121.678 120.400 0.033 0.000 2.735 388 D HA -0.048 4.592 4.640 -0.000 0.000 0.267 388 D C -0.236 176.068 176.300 0.007 0.000 1.081 388 D CA 0.244 54.256 54.000 0.020 0.000 0.980 388 D CB 0.164 40.985 40.800 0.035 0.000 1.129 388 D HN 0.517 nan 8.370 nan 0.000 0.459 389 N N 0.581 119.290 118.700 0.014 0.000 2.412 389 N HA 0.232 4.972 4.740 -0.000 0.000 0.279 389 N C -0.270 175.228 175.510 -0.020 0.000 1.287 389 N CA 0.382 53.436 53.050 0.007 0.000 0.948 389 N CB 0.689 39.189 38.487 0.022 0.000 1.255 389 N HN 0.227 nan 8.380 nan 0.000 0.485 390 G N 2.445 111.216 108.800 -0.050 0.000 2.717 390 G HA2 0.341 4.300 3.960 -0.000 0.000 0.300 390 G HA3 0.341 4.300 3.960 -0.000 0.000 0.300 390 G C -2.933 171.879 174.900 -0.147 0.000 1.424 390 G CA -0.867 44.161 45.100 -0.121 0.000 1.033 390 G HN 0.415 nan 8.290 nan 0.000 0.577 391 P HA 0.415 nan 4.420 nan 0.000 0.302 391 P C -1.066 176.131 177.300 -0.172 0.000 1.301 391 P CA -0.185 62.796 63.100 -0.199 0.000 0.745 391 P CB 1.261 32.793 31.700 -0.280 0.000 1.331 392 D N -0.877 119.452 120.400 -0.117 0.000 2.481 392 D HA 0.558 5.197 4.640 -0.000 0.000 0.244 392 D C -0.805 175.457 176.300 -0.064 0.000 1.057 392 D CA -0.103 53.849 54.000 -0.082 0.000 0.848 392 D CB 2.066 42.839 40.800 -0.045 0.000 1.388 392 D HN 0.088 nan 8.370 nan 0.000 0.475 393 L N 0.720 121.911 121.223 -0.052 0.000 2.455 393 L HA 0.324 4.664 4.340 -0.000 0.000 0.264 393 L C -0.541 176.321 176.870 -0.013 0.000 0.968 393 L CA -0.392 54.433 54.840 -0.024 0.000 0.827 393 L CB 2.109 44.151 42.059 -0.027 0.000 1.317 393 L HN 0.311 nan 8.230 nan 0.000 0.407 394 S N 2.497 118.198 115.700 0.000 0.000 2.616 394 S HA 0.388 4.857 4.470 -0.000 0.000 0.277 394 S C -0.144 174.461 174.600 0.007 0.000 1.234 394 S CA -0.475 57.726 58.200 0.003 0.000 1.028 394 S CB 0.648 63.852 63.200 0.006 0.000 0.988 394 S HN 0.690 nan 8.310 nan 0.000 0.522 395 N N 2.638 121.342 118.700 0.007 0.000 2.416 395 N HA 0.238 4.978 4.740 -0.000 0.000 0.265 395 N C -0.991 174.529 175.510 0.016 0.000 1.195 395 N CA 0.013 53.070 53.050 0.011 0.000 0.943 395 N CB 0.281 38.773 38.487 0.009 0.000 1.115 395 N HN 0.318 nan 8.380 nan 0.000 0.481 396 V N 3.568 123.494 119.914 0.020 0.000 2.815 396 V HA 0.554 4.674 4.120 -0.000 0.000 0.314 396 V C 0.195 176.307 176.094 0.031 0.000 1.064 396 V CA -0.793 61.522 62.300 0.025 0.000 0.952 396 V CB 1.939 33.776 31.823 0.024 0.000 1.020 396 V HN 0.589 nan 8.190 nan 0.000 0.439 397 K N 1.660 122.082 120.400 0.038 0.000 2.208 397 K HA 0.655 4.975 4.320 -0.000 0.000 0.241 397 K C -0.210 176.423 176.600 0.055 0.000 1.087 397 K CA -0.636 55.683 56.287 0.053 0.000 0.883 397 K CB 1.945 34.490 32.500 0.075 0.000 1.360 397 K HN 0.371 nan 8.250 nan 0.000 0.496 398 I N -0.554 120.064 120.570 0.079 0.000 4.398 398 I HA 0.053 4.222 4.170 -0.000 0.000 0.310 398 I C 0.109 176.282 176.117 0.093 0.000 1.232 398 I CA -0.128 61.213 61.300 0.069 0.000 1.312 398 I CB -0.023 38.015 38.000 0.063 0.000 1.347 398 I HN 0.475 nan 8.210 nan 0.000 0.454 399 Y N 4.035 124.337 120.300 0.004 0.000 2.829 399 Y HA 0.042 4.592 4.550 -0.000 0.000 0.383 399 Y C -0.059 175.843 175.900 0.003 0.000 1.382 399 Y CA 0.343 58.445 58.100 0.003 0.000 1.858 399 Y CB -0.766 37.695 38.460 0.003 0.000 1.331 399 Y HN 0.003 nan 8.280 nan 0.000 0.475 400 T N 6.256 120.637 114.554 -0.289 0.000 2.856 400 T HA 0.183 4.533 4.350 -0.000 0.000 0.283 400 T C -0.150 174.332 174.700 -0.363 0.000 1.008 400 T CA -1.079 60.839 62.100 -0.303 0.000 0.997 400 T CB 0.673 69.463 68.868 -0.130 0.000 0.992 400 T HN 0.618 nan 8.240 nan 0.000 0.454 401 N N 1.689 120.194 118.700 -0.324 0.000 2.968 401 N HA 0.324 5.064 4.740 -0.000 0.000 0.271 401 N C 0.768 176.202 175.510 -0.126 0.000 1.174 401 N CA -0.330 52.580 53.050 -0.233 0.000 1.096 401 N CB 0.309 38.682 38.487 -0.190 0.000 1.403 401 N HN 1.041 nan 8.380 nan 0.000 0.522 402 G N 0.082 108.822 108.800 -0.101 0.000 2.507 402 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.205 402 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.205 402 G C -0.461 174.411 174.900 -0.047 0.000 0.996 402 G CA -0.492 44.572 45.100 -0.060 0.000 0.776 402 G HN 0.630 nan 8.290 nan 0.000 0.532 403 Q N 0.425 120.192 119.800 -0.055 0.000 2.305 403 Q HA 0.671 5.011 4.340 -0.000 0.000 0.271 403 Q C 0.890 176.877 176.000 -0.021 0.000 1.046 403 Q CA -0.696 55.087 55.803 -0.034 0.000 0.798 403 Q CB 1.655 30.372 28.738 -0.035 0.000 1.286 403 Q HN 0.020 nan 8.270 nan 0.000 0.435 404 Q N 1.641 121.437 119.800 -0.007 0.000 2.063 404 Q HA 0.076 4.416 4.340 -0.000 0.000 0.194 404 Q C -0.479 175.528 176.000 0.013 0.000 0.974 404 Q CA 1.332 57.139 55.803 0.007 0.000 0.827 404 Q CB 0.138 28.881 28.738 0.008 0.000 0.902 404 Q HN 0.803 nan 8.270 nan 0.000 0.462 405 D N 0.310 120.716 120.400 0.009 0.000 2.479 405 D HA 0.494 5.134 4.640 -0.000 0.000 0.247 405 D C -0.598 175.707 176.300 0.008 0.000 1.119 405 D CA -0.372 53.635 54.000 0.011 0.000 0.922 405 D CB 0.808 41.614 40.800 0.010 0.000 1.014 405 D HN -0.096 nan 8.370 nan 0.000 0.510 406 K N 0.958 121.365 120.400 0.010 0.000 2.774 406 K HA 0.512 4.832 4.320 -0.000 0.000 0.283 406 K C -0.863 175.744 176.600 0.011 0.000 1.050 406 K CA -0.895 55.397 56.287 0.008 0.000 0.872 406 K CB 1.413 33.913 32.500 0.001 0.000 1.434 406 K HN 0.405 nan 8.250 nan 0.000 0.372 407 G N 0.789 109.597 108.800 0.012 0.000 2.535 407 G HA2 0.567 4.527 3.960 -0.000 0.000 0.303 407 G HA3 0.567 4.527 3.960 -0.000 0.000 0.303 407 G C -0.999 173.907 174.900 0.010 0.000 1.237 407 G CA -0.518 44.592 45.100 0.017 0.000 0.986 407 G HN 0.770 nan 8.290 nan 0.000 0.494 408 N N -2.241 116.468 118.700 0.015 0.000 2.504 408 N HA 0.407 5.147 4.740 -0.000 0.000 0.268 408 N C -1.373 174.146 175.510 0.015 0.000 1.184 408 N CA -0.763 52.292 53.050 0.008 0.000 0.875 408 N CB 1.824 40.309 38.487 -0.003 0.000 1.630 408 N HN 0.384 nan 8.380 nan 0.000 0.486 409 V N 0.886 120.807 119.914 0.011 0.000 2.567 409 V HA 0.516 4.636 4.120 -0.000 0.000 0.289 409 V C 1.060 177.162 176.094 0.014 0.000 1.049 409 V CA -0.626 61.682 62.300 0.014 0.000 0.969 409 V CB 1.098 32.928 31.823 0.011 0.000 0.995 409 V HN 0.712 nan 8.190 nan 0.000 0.471 410 V N 1.510 121.434 119.914 0.017 0.000 3.613 410 V HA 0.965 5.085 4.120 -0.000 0.000 0.283 410 V C 0.225 176.327 176.094 0.013 0.000 1.052 410 V CA -0.417 61.894 62.300 0.019 0.000 0.937 410 V CB 1.437 33.274 31.823 0.023 0.000 1.241 410 V HN 1.132 nan 8.190 nan 0.000 0.429 411 A N -0.871 121.957 122.820 0.013 0.000 2.522 411 A HA 0.845 5.165 4.320 -0.000 0.000 0.285 411 A C 0.274 177.863 177.584 0.009 0.000 1.198 411 A CA 0.298 52.340 52.037 0.009 0.000 0.742 411 A CB 0.635 19.640 19.000 0.008 0.000 1.176 411 A HN 2.053 nan 8.150 nan 0.000 0.444 412 G N 0.491 109.295 108.800 0.007 0.000 4.137 412 G HA2 0.246 4.206 3.960 -0.000 0.000 0.194 412 G HA3 0.246 4.206 3.960 -0.000 0.000 0.194 412 G C 0.061 174.963 174.900 0.003 0.000 0.891 412 G CA 0.577 45.680 45.100 0.005 0.000 0.946 412 G HN 0.833 nan 8.290 nan 0.000 0.332 413 T N 0.796 115.352 114.554 0.003 0.000 2.841 413 T HA 0.550 4.900 4.350 -0.000 0.000 0.285 413 T C -0.830 173.870 174.700 -0.000 0.000 0.991 413 T CA -0.187 61.913 62.100 -0.000 0.000 0.966 413 T CB 2.491 71.358 68.868 -0.001 0.000 0.962 413 T HN 0.628 nan 8.240 nan 0.000 0.438 414 V N 2.976 122.888 119.914 -0.002 0.000 2.872 414 V HA 0.642 4.762 4.120 -0.000 0.000 0.367 414 V C -0.544 175.546 176.094 -0.006 0.000 1.343 414 V CA 0.109 62.407 62.300 -0.002 0.000 1.219 414 V CB 0.033 31.856 31.823 -0.000 0.000 1.308 414 V HN 0.867 nan 8.190 nan 0.000 0.610 415 S N 0.716 116.410 115.700 -0.010 0.000 2.581 415 S HA 0.602 5.072 4.470 -0.000 0.000 0.306 415 S C -0.664 173.923 174.600 -0.022 0.000 1.080 415 S CA 0.370 58.560 58.200 -0.016 0.000 0.925 415 S CB 1.397 64.589 63.200 -0.014 0.000 1.128 415 S HN 0.979 nan 8.310 nan 0.000 0.451 416 T N 1.896 116.432 114.554 -0.031 0.000 2.889 416 T HA 0.641 4.991 4.350 -0.000 0.000 0.315 416 T C -1.859 172.810 174.700 -0.051 0.000 1.291 416 T CA -0.985 61.093 62.100 -0.037 0.000 1.028 416 T CB 1.804 70.651 68.868 -0.035 0.000 1.235 416 T HN 0.441 nan 8.240 nan 0.000 0.491 417 Q N 1.564 121.333 119.800 -0.052 0.000 2.290 417 Q HA 0.753 5.093 4.340 -0.000 0.000 0.259 417 Q C -0.706 175.253 176.000 -0.069 0.000 0.941 417 Q CA -0.488 55.278 55.803 -0.061 0.000 0.912 417 Q CB 1.801 30.508 28.738 -0.051 0.000 1.244 417 Q HN 0.703 nan 8.270 nan 0.000 0.441 418 L N 1.675 122.841 121.223 -0.094 0.000 3.335 418 L HA 0.530 4.870 4.340 -0.000 0.000 0.224 418 L C -0.790 176.002 176.870 -0.130 0.000 1.556 418 L CA -0.730 54.049 54.840 -0.103 0.000 1.647 418 L CB 0.075 42.062 42.059 -0.119 0.000 1.702 418 L HN 0.733 nan 8.230 nan 0.000 0.522 419 N N -1.914 116.672 118.700 -0.190 0.000 4.851 419 N HA 0.207 4.947 4.740 -0.000 0.000 0.190 419 N C -1.296 174.112 175.510 -0.170 0.000 1.101 419 N CA -0.408 52.525 53.050 -0.196 0.000 0.958 419 N CB -0.192 38.257 38.487 -0.064 0.000 1.570 419 N HN 0.244 nan 8.380 nan 0.000 0.601 420 F N 1.085 121.041 119.950 0.010 0.000 2.731 420 F HA 0.488 5.014 4.527 -0.000 0.000 0.304 420 F C 1.569 177.374 175.800 0.008 0.000 1.133 420 F CA 0.706 58.711 58.000 0.008 0.000 1.380 420 F CB 0.065 39.069 39.000 0.006 0.000 1.079 420 F HN 0.649 nan 8.300 nan 0.000 0.550 421 G N -0.800 108.087 108.800 0.145 0.000 3.418 421 G HA2 0.403 4.363 3.960 -0.000 0.000 0.179 421 G HA3 0.403 4.363 3.960 -0.000 0.000 0.179 421 G C 0.450 175.389 174.900 0.064 0.000 1.212 421 G CA 0.485 45.642 45.100 0.095 0.000 0.935 421 G HN 0.151 nan 8.290 nan 0.000 0.716 422 T N -1.777 112.810 114.554 0.054 0.000 2.206 422 T HA 0.580 4.930 4.350 -0.000 0.000 0.168 422 T C 0.049 174.792 174.700 0.071 0.000 0.753 422 T CA 0.576 62.712 62.100 0.060 0.000 1.041 422 T CB -0.106 68.803 68.868 0.068 0.000 2.919 422 T HN 1.318 nan 8.240 nan 0.000 0.392 423 I N -0.120 120.509 120.570 0.097 0.000 2.649 423 I HA 0.588 4.758 4.170 -0.000 0.000 0.289 423 I C -3.063 173.116 176.117 0.103 0.000 1.222 423 I CA -2.602 58.777 61.300 0.132 0.000 1.046 423 I CB 2.252 40.385 38.000 0.222 0.000 1.272 423 I HN 0.232 nan 8.210 nan 0.000 0.425 424 P HA 0.055 nan 4.420 nan 0.000 0.267 424 P C -0.435 176.799 177.300 -0.110 0.000 1.175 424 P CA 0.415 63.507 63.100 -0.014 0.000 0.763 424 P CB 0.677 32.415 31.700 0.064 0.000 0.795 425 S N 0.537 116.089 115.700 -0.247 0.000 2.615 425 S HA 0.573 5.043 4.470 -0.000 0.000 0.268 425 S C -1.608 172.729 174.600 -0.438 0.000 1.146 425 S CA -0.508 57.526 58.200 -0.278 0.000 0.818 425 S CB 1.161 64.135 63.200 -0.378 0.000 1.111 425 S HN 0.424 nan 8.310 nan 0.000 0.465 426 Y N 0.420 120.469 120.300 -0.419 0.000 2.287 426 Y HA 0.318 4.868 4.550 -0.000 0.000 0.325 426 Y C -0.041 175.438 175.900 -0.701 0.000 1.139 426 Y CA -0.746 57.070 58.100 -0.472 0.000 1.167 426 Y CB 1.041 39.361 38.460 -0.233 0.000 1.158 426 Y HN 0.510 nan 8.280 nan 0.000 0.434 427 E N 2.549 122.133 120.200 -1.028 0.000 2.438 427 E HA 0.157 4.507 4.350 -0.000 0.000 0.261 427 E C -1.008 175.543 176.600 -0.082 0.000 1.103 427 E CA 0.396 56.397 56.400 -0.666 0.000 0.959 427 E CB 1.081 30.582 29.700 -0.332 0.000 0.958 427 E HN 0.620 nan 8.360 nan 0.000 0.447 428 I N 3.019 123.618 120.570 0.049 0.000 2.602 428 I HA 0.041 4.211 4.170 -0.000 0.000 0.274 428 I C -0.707 175.490 176.117 0.133 0.000 1.191 428 I CA -0.126 61.240 61.300 0.111 0.000 1.068 428 I CB 1.071 39.121 38.000 0.083 0.000 1.274 428 I HN 0.300 nan 8.210 nan 0.000 0.485 429 D N 7.871 128.359 120.400 0.147 0.000 2.826 429 D HA -0.028 4.612 4.640 -0.000 0.000 0.229 429 D C 1.650 178.056 176.300 0.176 0.000 1.091 429 D CA 0.096 54.194 54.000 0.163 0.000 1.061 429 D CB 0.327 41.251 40.800 0.206 0.000 1.155 429 D HN 0.495 nan 8.370 nan 0.000 0.450 430 I N 1.710 122.363 120.570 0.139 0.000 2.322 430 I HA -0.464 3.706 4.170 -0.000 0.000 0.235 430 I C 2.587 178.805 176.117 0.168 0.000 0.967 430 I CA 1.690 63.069 61.300 0.131 0.000 1.260 430 I CB -2.038 36.022 38.000 0.100 0.000 0.968 430 I HN 0.279 nan 8.210 nan 0.000 0.398 431 A N 0.680 123.592 122.820 0.154 0.000 1.968 431 A HA -0.320 4.000 4.320 -0.000 0.000 0.227 431 A C 2.440 180.288 177.584 0.440 0.000 1.381 431 A CA 4.147 56.300 52.037 0.194 0.000 0.697 431 A CB -1.213 17.749 19.000 -0.062 0.000 0.836 431 A HN 0.687 nan 8.150 nan 0.000 0.497 432 A N -1.935 121.212 122.820 0.545 0.000 1.942 432 A HA 0.476 4.796 4.320 -0.000 0.000 0.209 432 A C 2.497 180.203 177.584 0.204 0.000 1.214 432 A CA 1.424 53.643 52.037 0.304 0.000 0.686 432 A CB -1.133 17.835 19.000 -0.053 0.000 0.871 432 A HN 1.480 nan 8.150 nan 0.000 0.460 433 A N 0.471 123.401 122.820 0.184 0.000 1.923 433 A HA -0.341 3.979 4.320 -0.000 0.000 0.222 433 A C 2.503 180.183 177.584 0.161 0.000 1.258 433 A CA 3.576 55.703 52.037 0.149 0.000 0.670 433 A CB -1.790 17.287 19.000 0.128 0.000 0.834 433 A HN 0.948 nan 8.150 nan 0.000 0.470 434 T N -3.641 111.014 114.554 0.169 0.000 2.821 434 T HA -0.112 4.237 4.350 -0.000 0.000 0.267 434 T C 2.032 176.881 174.700 0.249 0.000 1.046 434 T CA 1.177 63.381 62.100 0.174 0.000 1.139 434 T CB -0.303 68.642 68.868 0.128 0.000 0.871 434 T HN 0.359 nan 8.240 nan 0.000 0.454 435 R N 1.405 122.067 120.500 0.271 0.000 2.088 435 R HA -0.031 4.309 4.340 -0.000 0.000 0.232 435 R C 2.777 179.285 176.300 0.347 0.000 1.136 435 R CA 1.857 58.186 56.100 0.382 0.000 0.926 435 R CB -0.826 29.675 30.300 0.334 0.000 0.837 435 R HN 0.520 nan 8.270 nan 0.000 0.429 436 R N 0.663 121.307 120.500 0.239 0.000 2.119 436 R HA -0.126 4.214 4.340 -0.000 0.000 0.246 436 R C 1.104 177.545 176.300 0.235 0.000 1.146 436 R CA 1.782 58.005 56.100 0.204 0.000 0.962 436 R CB -0.285 30.117 30.300 0.169 0.000 0.863 436 R HN 0.210 nan 8.270 nan 0.000 0.442 437 N N -0.111 118.740 118.700 0.251 0.000 2.501 437 N HA -0.096 4.644 4.740 -0.000 0.000 0.195 437 N C 0.612 176.320 175.510 0.330 0.000 1.213 437 N CA 0.490 53.701 53.050 0.268 0.000 0.864 437 N CB 0.111 38.724 38.487 0.211 0.000 0.999 437 N HN 0.286 nan 8.380 nan 0.000 0.454 438 F N 0.520 120.550 119.950 0.134 0.000 2.577 438 F HA 0.295 4.822 4.527 -0.000 0.000 0.276 438 F C 1.680 177.504 175.800 0.040 0.000 1.032 438 F CA 0.029 58.092 58.000 0.104 0.000 1.297 438 F CB -0.234 38.831 39.000 0.109 0.000 1.061 438 F HN -0.161 nan 8.300 nan 0.000 0.680 439 I N -0.242 120.134 120.570 -0.324 0.000 2.277 439 I HA -0.130 4.040 4.170 -0.000 0.000 0.243 439 I C 2.037 178.021 176.117 -0.221 0.000 1.094 439 I CA 0.906 61.889 61.300 -0.528 0.000 1.393 439 I CB -0.841 36.940 38.000 -0.364 0.000 1.078 439 I HN 0.109 nan 8.210 nan 0.000 0.417 440 M N 1.749 121.332 119.600 -0.030 0.000 2.814 440 M HA -0.097 4.383 4.480 -0.000 0.000 0.237 440 M C 1.043 177.363 176.300 0.033 0.000 1.039 440 M CA 0.812 56.132 55.300 0.034 0.000 1.071 440 M CB -1.115 31.640 32.600 0.258 0.000 1.501 440 M HN 0.467 nan 8.290 nan 0.000 0.558 441 S N -4.170 111.561 115.700 0.050 0.000 2.702 441 S HA 0.282 4.752 4.470 -0.000 0.000 0.257 441 S C 0.959 175.683 174.600 0.205 0.000 0.981 441 S CA -0.555 57.740 58.200 0.158 0.000 1.414 441 S CB -0.181 63.166 63.200 0.245 0.000 1.239 441 S HN 0.400 nan 8.310 nan 0.000 0.676 442 N N 0.907 119.600 118.700 -0.010 0.000 2.317 442 N HA 0.488 5.228 4.740 -0.000 0.000 0.199 442 N C 0.973 176.284 175.510 -0.333 0.000 1.145 442 N CA 0.539 53.472 53.050 -0.195 0.000 0.882 442 N CB 0.673 39.112 38.487 -0.080 0.000 1.113 442 N HN 0.400 nan 8.380 nan 0.000 0.486 443 I N -0.333 120.119 120.570 -0.197 0.000 4.046 443 I HA 0.215 4.384 4.170 -0.000 0.000 0.285 443 I C 1.910 178.013 176.117 -0.024 0.000 1.183 443 I CA 0.194 61.404 61.300 -0.151 0.000 1.337 443 I CB -0.052 37.765 38.000 -0.305 0.000 1.478 443 I HN -0.126 nan 8.210 nan 0.000 0.452 444 A N 1.123 123.894 122.820 -0.081 0.000 1.908 444 A HA -0.294 4.026 4.320 -0.000 0.000 0.211 444 A C 1.662 179.213 177.584 -0.054 0.000 1.225 444 A CA 2.398 54.384 52.037 -0.085 0.000 0.689 444 A CB -0.998 17.913 19.000 -0.147 0.000 0.843 444 A HN 0.367 nan 8.150 nan 0.000 0.472 445 D N -1.827 118.527 120.400 -0.076 0.000 2.420 445 D HA -0.066 4.573 4.640 -0.000 0.000 0.233 445 D C -0.143 176.004 176.300 -0.255 0.000 1.017 445 D CA 0.779 54.674 54.000 -0.174 0.000 0.951 445 D CB -0.288 40.373 40.800 -0.233 0.000 0.877 445 D HN 0.554 nan 8.370 nan 0.000 0.528 446 Y N -0.871 119.361 120.300 -0.113 0.000 2.716 446 Y HA 0.318 4.868 4.550 -0.000 0.000 0.260 446 Y C 0.307 176.171 175.900 -0.060 0.000 1.141 446 Y CA -0.454 57.604 58.100 -0.071 0.000 1.168 446 Y CB 0.163 38.608 38.460 -0.025 0.000 1.189 446 Y HN -0.191 nan 8.280 nan 0.000 0.549 447 L N 2.152 123.387 121.223 0.021 0.000 2.387 447 L HA 0.482 4.822 4.340 -0.000 0.000 0.266 447 L C -2.034 174.848 176.870 0.021 0.000 1.059 447 L CA -2.060 52.793 54.840 0.023 0.000 0.801 447 L CB 0.687 42.767 42.059 0.035 0.000 1.223 447 L HN -0.070 nan 8.230 nan 0.000 0.456 448 P HA 0.004 nan 4.420 nan 0.000 0.271 448 P C -0.464 176.886 177.300 0.082 0.000 1.226 448 P CA -0.285 62.842 63.100 0.046 0.000 0.765 448 P CB 0.632 32.348 31.700 0.028 0.000 0.835 449 D N 3.202 123.666 120.400 0.107 0.000 2.417 449 D HA -0.180 4.460 4.640 -0.000 0.000 0.225 449 D C 0.614 176.996 176.300 0.137 0.000 0.983 449 D CA 1.054 55.153 54.000 0.165 0.000 0.949 449 D CB -0.199 40.839 40.800 0.397 0.000 0.879 449 D HN 0.156 nan 8.370 nan 0.000 0.520 450 K N -0.719 119.750 120.400 0.115 0.000 2.417 450 K HA 0.012 4.332 4.320 -0.000 0.000 0.196 450 K C -0.283 176.463 176.600 0.244 0.000 1.023 450 K CA -0.140 56.217 56.287 0.116 0.000 1.122 450 K CB 0.074 32.613 32.500 0.065 0.000 0.850 450 K HN 0.259 nan 8.250 nan 0.000 0.521 451 Y N -0.253 120.036 120.300 -0.017 0.000 3.034 451 Y HA 0.242 4.792 4.550 -0.000 0.000 0.235 451 Y C -0.112 175.783 175.900 -0.009 0.000 0.928 451 Y CA -0.669 57.420 58.100 -0.019 0.000 1.130 451 Y CB 0.399 38.850 38.460 -0.015 0.000 1.239 451 Y HN -0.206 nan 8.280 nan 0.000 0.667 452 K N -0.209 120.182 120.400 -0.015 0.000 1.857 452 K HA 0.639 4.959 4.320 -0.000 0.000 0.252 452 K C -1.691 174.947 176.600 0.063 0.000 0.924 452 K CA -0.985 55.294 56.287 -0.013 0.000 0.788 452 K CB 2.881 35.370 32.500 -0.018 0.000 1.861 452 K HN -0.047 nan 8.250 nan 0.000 0.658 453 F N 0.750 120.622 119.950 -0.130 0.000 2.637 453 F HA 0.034 4.560 4.527 -0.000 0.000 0.316 453 F C -0.632 175.095 175.800 -0.123 0.000 1.023 453 F CA -0.764 57.170 58.000 -0.109 0.000 1.071 453 F CB 1.520 40.479 39.000 -0.068 0.000 1.319 453 F HN 0.520 nan 8.300 nan 0.000 0.541 454 S N 5.266 121.248 115.700 0.471 0.000 2.569 454 S HA 0.358 4.828 4.470 -0.000 0.000 0.274 454 S C -0.198 174.400 174.600 -0.002 0.000 1.353 454 S CA -0.638 57.637 58.200 0.124 0.000 1.023 454 S CB 0.458 63.763 63.200 0.175 0.000 0.876 454 S HN 0.561 nan 8.310 nan 0.000 0.540 455 I N 2.238 122.839 120.570 0.050 0.000 2.488 455 I HA 0.517 4.687 4.170 -0.000 0.000 0.299 455 I C -0.138 175.980 176.117 0.001 0.000 0.984 455 I CA -0.814 60.473 61.300 -0.023 0.000 1.250 455 I CB 1.098 39.088 38.000 -0.018 0.000 1.389 455 I HN 0.576 nan 8.210 nan 0.000 0.488 456 R N 4.548 124.967 120.500 -0.135 0.000 2.309 456 R HA 0.399 4.739 4.340 -0.000 0.000 0.331 456 R C 0.592 176.726 176.300 -0.276 0.000 1.116 456 R CA 0.500 56.464 56.100 -0.227 0.000 0.970 456 R CB -0.009 30.194 30.300 -0.162 0.000 1.024 456 R HN 1.109 nan 8.270 nan 0.000 0.472 457 G N 2.882 111.394 108.800 -0.482 0.000 2.215 457 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.187 457 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.187 457 G C -0.150 174.598 174.900 -0.254 0.000 1.039 457 G CA -0.638 44.251 45.100 -0.353 0.000 0.771 457 G HN 0.464 nan 8.290 nan 0.000 0.507 458 F N 0.636 120.572 119.950 -0.023 0.000 2.399 458 F HA 0.826 5.353 4.527 -0.000 0.000 0.313 458 F C 0.708 176.513 175.800 0.008 0.000 1.202 458 F CA -0.607 57.389 58.000 -0.007 0.000 1.192 458 F CB 0.230 39.244 39.000 0.023 0.000 1.256 458 F HN -0.091 nan 8.300 nan 0.000 0.558 459 D N -0.286 120.328 120.400 0.357 0.000 3.032 459 D HA 0.125 4.765 4.640 -0.000 0.000 0.280 459 D C -1.239 175.238 176.300 0.295 0.000 1.381 459 D CA 0.724 54.877 54.000 0.254 0.000 1.068 459 D CB -0.961 39.928 40.800 0.148 0.000 1.148 459 D HN 0.578 nan 8.370 nan 0.000 0.401 460 P HA 0.230 nan 4.420 nan 0.000 0.290 460 P C -0.314 177.128 177.300 0.237 0.000 1.519 460 P CA 0.023 63.258 63.100 0.225 0.000 1.189 460 P CB 0.761 32.602 31.700 0.236 0.000 1.569 461 V N 1.440 121.453 119.914 0.166 0.000 2.763 461 V HA -0.011 4.109 4.120 -0.000 0.000 0.306 461 V C 1.261 177.275 176.094 -0.135 0.000 1.059 461 V CA 2.012 64.379 62.300 0.111 0.000 1.138 461 V CB -0.272 31.533 31.823 -0.030 0.000 0.940 461 V HN 0.474 nan 8.190 nan 0.000 0.489 462 T N 2.814 117.339 114.554 -0.048 0.000 9.270 462 T HA -0.299 4.051 4.350 -0.000 0.000 0.360 462 T C 1.076 175.711 174.700 -0.108 0.000 1.823 462 T CA 1.745 63.783 62.100 -0.102 0.000 2.748 462 T CB -1.485 67.308 68.868 -0.124 0.000 2.671 462 T HN 1.040 nan 8.240 nan 0.000 1.169 463 D N 1.419 121.772 120.400 -0.077 0.000 2.172 463 D HA -0.115 4.525 4.640 -0.000 0.000 0.196 463 D C 1.334 177.602 176.300 -0.053 0.000 0.999 463 D CA 2.061 56.044 54.000 -0.028 0.000 0.856 463 D CB -0.162 40.660 40.800 0.037 0.000 0.934 463 D HN 0.742 nan 8.370 nan 0.000 0.453 464 N N -1.894 116.738 118.700 -0.112 0.000 2.036 464 N HA 0.208 4.948 4.740 -0.000 0.000 0.228 464 N C -0.997 174.373 175.510 -0.234 0.000 1.368 464 N CA -0.360 52.606 53.050 -0.140 0.000 0.846 464 N CB 1.018 39.430 38.487 -0.125 0.000 1.145 464 N HN 0.046 nan 8.380 nan 0.000 0.502 465 I N 1.350 121.751 120.570 -0.282 0.000 2.676 465 I HA 0.314 4.484 4.170 -0.000 0.000 0.309 465 I C 0.231 176.231 176.117 -0.196 0.000 0.990 465 I CA -1.081 60.018 61.300 -0.336 0.000 1.168 465 I CB 1.029 38.721 38.000 -0.513 0.000 1.343 465 I HN 0.107 nan 8.210 nan 0.000 0.482 466 D N 3.629 123.907 120.400 -0.204 0.000 2.758 466 D HA 0.400 5.039 4.640 -0.000 0.000 0.279 466 D C -2.642 173.413 176.300 -0.408 0.000 1.111 466 D CA -1.565 52.273 54.000 -0.271 0.000 1.109 466 D CB 1.721 42.385 40.800 -0.226 0.000 1.428 466 D HN 0.112 nan 8.370 nan 0.000 0.586 467 P HA 0.154 nan 4.420 nan 0.000 0.245 467 P C 0.511 177.650 177.300 -0.269 0.000 1.212 467 P CA 0.793 63.347 63.100 -0.910 0.000 0.774 467 P CB 0.244 31.358 31.700 -0.977 0.000 0.999 468 T N -2.207 112.239 114.554 -0.180 0.000 3.044 468 T HA 0.099 4.449 4.350 -0.000 0.000 0.260 468 T C 0.466 175.149 174.700 -0.029 0.000 1.019 468 T CA 0.206 62.260 62.100 -0.077 0.000 0.921 468 T CB 0.029 68.848 68.868 -0.081 0.000 1.053 468 T HN 0.122 nan 8.240 nan 0.000 0.533 469 T N -0.165 114.382 114.554 -0.012 0.000 2.797 469 T HA 0.455 4.805 4.350 -0.000 0.000 0.279 469 T C 0.507 175.361 174.700 0.258 0.000 0.991 469 T CA -0.800 61.342 62.100 0.070 0.000 0.979 469 T CB 1.840 70.666 68.868 -0.070 0.000 0.943 469 T HN -0.021 nan 8.240 nan 0.000 0.444 470 Y N 2.790 123.213 120.300 0.205 0.000 1.875 470 Y HA -0.351 4.199 4.550 -0.000 0.000 0.228 470 Y C 1.521 177.616 175.900 0.324 0.000 1.151 470 Y CA 1.767 60.009 58.100 0.237 0.000 1.033 470 Y CB -1.007 37.596 38.460 0.237 0.000 0.862 470 Y HN 0.720 nan 8.280 nan 0.000 0.518 471 F N -1.300 118.838 119.950 0.313 0.000 2.673 471 F HA -0.455 4.072 4.527 -0.000 0.000 0.298 471 F C 2.189 178.110 175.800 0.202 0.000 1.297 471 F CA 2.089 60.197 58.000 0.181 0.000 1.380 471 F CB -2.233 36.830 39.000 0.105 0.000 0.826 471 F HN 0.312 nan 8.300 nan 0.000 0.602 472 Y N 0.356 120.815 120.300 0.265 0.000 2.014 472 Y HA -0.398 4.152 4.550 -0.000 0.000 0.272 472 Y C 2.735 178.694 175.900 0.099 0.000 1.164 472 Y CA 2.395 60.562 58.100 0.112 0.000 1.114 472 Y CB -1.172 37.310 38.460 0.037 0.000 0.961 472 Y HN 0.319 nan 8.280 nan 0.000 0.489 473 M N 0.297 120.245 119.600 0.580 0.000 2.240 473 M HA -0.379 4.101 4.480 -0.000 0.000 0.250 473 M C 0.628 177.007 176.300 0.131 0.000 1.075 473 M CA 2.712 58.213 55.300 0.335 0.000 1.072 473 M CB -0.518 32.182 32.600 0.167 0.000 1.305 473 M HN 0.468 nan 8.290 nan 0.000 0.414 474 N N 0.084 118.881 118.700 0.163 0.000 2.806 474 N HA 0.279 5.019 4.740 -0.000 0.000 0.315 474 N C -0.278 175.303 175.510 0.118 0.000 1.738 474 N CA -0.141 52.976 53.050 0.112 0.000 0.993 474 N CB 0.254 38.868 38.487 0.213 0.000 1.324 474 N HN 0.368 nan 8.380 nan 0.000 0.493 475 R N -0.727 119.792 120.500 0.031 0.000 2.371 475 R HA 0.151 4.491 4.340 -0.000 0.000 0.261 475 R C -0.350 175.902 176.300 -0.080 0.000 0.768 475 R CA -0.277 55.827 56.100 0.005 0.000 0.992 475 R CB 0.573 30.910 30.300 0.063 0.000 1.687 475 R HN 0.059 nan 8.270 nan 0.000 0.463 476 R N 1.922 122.308 120.500 -0.190 0.000 2.198 476 R HA 0.292 4.632 4.340 -0.000 0.000 0.339 476 R C -0.371 175.850 176.300 -0.132 0.000 1.020 476 R CA -0.170 55.780 56.100 -0.251 0.000 0.864 476 R CB 1.345 31.302 30.300 -0.571 0.000 1.105 476 R HN -0.143 nan 8.270 nan 0.000 0.463 477 V N 7.279 127.150 119.914 -0.073 0.000 2.999 477 V HA 0.158 4.278 4.120 -0.000 0.000 0.307 477 V C -1.658 174.392 176.094 -0.075 0.000 1.084 477 V CA -1.194 61.060 62.300 -0.076 0.000 1.155 477 V CB 1.299 33.097 31.823 -0.042 0.000 0.975 477 V HN 0.850 nan 8.190 nan 0.000 0.490 478 P HA 0.272 nan 4.420 nan 0.000 0.346 478 P C -0.916 176.327 177.300 -0.096 0.000 1.306 478 P CA -0.370 62.658 63.100 -0.121 0.000 0.778 478 P CB 1.053 32.639 31.700 -0.189 0.000 1.710 479 L N 0.660 121.822 121.223 -0.101 0.000 2.581 479 L HA 0.193 4.532 4.340 -0.000 0.000 0.241 479 L C 1.854 178.689 176.870 -0.057 0.000 1.265 479 L CA -0.324 54.467 54.840 -0.082 0.000 0.954 479 L CB -0.022 41.947 42.059 -0.151 0.000 1.269 479 L HN 0.454 nan 8.230 nan 0.000 0.475 480 T N -0.526 113.988 114.554 -0.067 0.000 2.515 480 T HA -0.366 3.984 4.350 -0.000 0.000 0.246 480 T C 1.347 176.067 174.700 0.033 0.000 1.268 480 T CA 2.611 64.698 62.100 -0.021 0.000 1.136 480 T CB -0.910 68.021 68.868 0.105 0.000 0.847 480 T HN 0.651 nan 8.240 nan 0.000 0.442 481 N N 1.753 120.478 118.700 0.043 0.000 2.661 481 N HA -0.003 4.737 4.740 -0.000 0.000 0.196 481 N C 1.454 176.981 175.510 0.029 0.000 1.129 481 N CA 0.903 53.973 53.050 0.034 0.000 0.938 481 N CB -0.586 37.907 38.487 0.011 0.000 0.966 481 N HN 0.476 nan 8.380 nan 0.000 0.450 482 V N -0.416 119.523 119.914 0.042 0.000 2.825 482 V HA 0.058 4.177 4.120 -0.000 0.000 0.246 482 V C 1.128 177.296 176.094 0.123 0.000 1.068 482 V CA 1.172 63.523 62.300 0.085 0.000 1.088 482 V CB 0.238 32.117 31.823 0.094 0.000 0.733 482 V HN 0.380 nan 8.190 nan 0.000 0.468 483 V N -2.511 117.463 119.914 0.100 0.000 3.355 483 V HA 0.409 4.528 4.120 -0.000 0.000 0.330 483 V C 0.408 176.588 176.094 0.144 0.000 1.479 483 V CA -0.227 62.146 62.300 0.123 0.000 1.150 483 V CB -0.118 31.731 31.823 0.044 0.000 1.044 483 V HN 0.439 nan 8.190 nan 0.000 0.501 484 D N 0.889 121.382 120.400 0.155 0.000 2.362 484 D HA 0.131 4.771 4.640 -0.000 0.000 0.238 484 D C 1.539 177.992 176.300 0.256 0.000 1.212 484 D CA 0.203 54.311 54.000 0.181 0.000 0.902 484 D CB 1.379 42.283 40.800 0.173 0.000 1.180 484 D HN 0.195 nan 8.370 nan 0.000 0.445 485 L N 0.521 121.886 121.223 0.236 0.000 2.336 485 L HA -0.304 4.036 4.340 -0.000 0.000 0.235 485 L C 1.331 178.421 176.870 0.367 0.000 1.136 485 L CA 1.502 56.491 54.840 0.248 0.000 0.857 485 L CB -0.626 41.491 42.059 0.096 0.000 0.952 485 L HN 0.435 nan 8.230 nan 0.000 0.449 486 F N 0.659 120.673 119.950 0.107 0.000 2.425 486 F HA 0.232 4.759 4.527 -0.000 0.000 0.354 486 F C 0.158 176.064 175.800 0.177 0.000 1.162 486 F CA -0.486 57.573 58.000 0.099 0.000 1.250 486 F CB 0.070 39.115 39.000 0.076 0.000 1.579 486 F HN -0.209 nan 8.300 nan 0.000 0.589 487 T N 2.755 117.428 114.554 0.198 0.000 3.226 487 T HA 0.192 4.542 4.350 -0.000 0.000 0.378 487 T C 0.491 175.226 174.700 0.058 0.000 1.380 487 T CA -0.561 61.655 62.100 0.193 0.000 1.396 487 T CB -0.018 69.051 68.868 0.335 0.000 1.044 487 T HN 0.630 nan 8.240 nan 0.000 0.586 488 N N 1.179 119.825 118.700 -0.089 0.000 2.936 488 N HA -0.157 4.583 4.740 -0.000 0.000 0.236 488 N C 0.552 175.931 175.510 -0.218 0.000 0.930 488 N CA 0.389 53.344 53.050 -0.158 0.000 0.966 488 N CB -1.131 37.328 38.487 -0.046 0.000 1.090 488 N HN 0.679 nan 8.380 nan 0.000 0.592 489 I N -0.825 119.619 120.570 -0.210 0.000 3.355 489 I HA -0.136 4.034 4.170 -0.000 0.000 0.359 489 I C 1.597 177.623 176.117 -0.151 0.000 1.137 489 I CA 1.922 63.126 61.300 -0.160 0.000 1.554 489 I CB -1.211 36.761 38.000 -0.048 0.000 1.240 489 I HN 0.486 nan 8.210 nan 0.000 0.483 490 G N 3.119 111.860 108.800 -0.097 0.000 2.199 490 G HA2 0.015 3.975 3.960 -0.000 0.000 0.254 490 G HA3 0.015 3.975 3.960 -0.000 0.000 0.254 490 G C 0.226 175.069 174.900 -0.094 0.000 0.982 490 G CA 0.459 45.517 45.100 -0.070 0.000 0.632 490 G HN 1.899 nan 8.290 nan 0.000 0.529 491 A N 0.355 123.095 122.820 -0.133 0.000 2.365 491 A HA 0.794 5.114 4.320 -0.000 0.000 0.318 491 A C 0.293 177.851 177.584 -0.043 0.000 1.091 491 A CA -0.692 51.274 52.037 -0.118 0.000 0.763 491 A CB 0.884 19.746 19.000 -0.229 0.000 1.248 491 A HN 0.494 nan 8.150 nan 0.000 0.442 492 R N 2.157 122.703 120.500 0.077 0.000 2.272 492 R HA 0.101 4.441 4.340 -0.000 0.000 0.334 492 R C -1.091 175.514 176.300 0.508 0.000 1.117 492 R CA 0.125 56.348 56.100 0.204 0.000 0.966 492 R CB -0.052 30.380 30.300 0.220 0.000 1.049 492 R HN 0.857 nan 8.270 nan 0.000 0.477 493 W N 3.044 124.357 121.300 0.022 0.000 1.048 493 W HA -0.014 4.646 4.660 -0.000 0.000 0.296 493 W C -0.123 176.477 176.519 0.134 0.000 0.846 493 W CA -0.738 56.651 57.345 0.074 0.000 2.078 493 W CB 1.042 30.531 29.460 0.050 0.000 1.618 493 W HN 0.670 nan 8.180 nan 0.000 0.497 494 S N 0.465 116.250 115.700 0.141 0.000 4.176 494 S HA -0.153 4.317 4.470 -0.000 0.000 0.501 494 S C 0.381 174.963 174.600 -0.029 0.000 0.996 494 S CA 0.219 58.461 58.200 0.070 0.000 1.361 494 S CB -0.652 62.527 63.200 -0.035 0.000 0.860 494 S HN 0.216 nan 8.310 nan 0.000 0.534 495 V N 4.531 124.497 119.914 0.087 0.000 3.160 495 V HA -0.216 3.904 4.120 -0.000 0.000 0.282 495 V C 1.764 177.826 176.094 -0.054 0.000 1.305 495 V CA 1.089 63.418 62.300 0.048 0.000 1.365 495 V CB -0.822 31.008 31.823 0.012 0.000 0.790 495 V HN 0.953 nan 8.190 nan 0.000 0.420 496 D N 3.336 123.697 120.400 -0.065 0.000 2.106 496 D HA -0.175 4.465 4.640 -0.000 0.000 0.191 496 D C 1.650 177.905 176.300 -0.076 0.000 0.997 496 D CA 1.568 55.504 54.000 -0.107 0.000 0.834 496 D CB 0.129 40.901 40.800 -0.047 0.000 0.956 496 D HN 0.755 nan 8.370 nan 0.000 0.448 497 Q N -0.449 119.319 119.800 -0.054 0.000 2.294 497 Q HA -0.029 4.311 4.340 -0.000 0.000 0.207 497 Q C 0.730 176.694 176.000 -0.060 0.000 0.887 497 Q CA 0.409 56.162 55.803 -0.082 0.000 0.987 497 Q CB 0.229 28.912 28.738 -0.091 0.000 1.101 497 Q HN 0.330 nan 8.270 nan 0.000 0.447 498 M N -2.252 117.309 119.600 -0.066 0.000 1.948 498 M HA 0.005 4.485 4.480 -0.000 0.000 0.381 498 M C 0.366 176.618 176.300 -0.080 0.000 0.815 498 M CA 0.256 55.512 55.300 -0.074 0.000 1.171 498 M CB 0.250 32.798 32.600 -0.086 0.000 2.306 498 M HN 0.059 nan 8.290 nan 0.000 0.794 499 D N 2.581 122.943 120.400 -0.064 0.000 2.157 499 D HA -0.214 4.426 4.640 -0.000 0.000 0.191 499 D C 1.069 177.397 176.300 0.047 0.000 1.004 499 D CA 2.133 56.123 54.000 -0.017 0.000 0.854 499 D CB -0.482 40.336 40.800 0.031 0.000 0.936 499 D HN 0.489 nan 8.370 nan 0.000 0.446 500 N N -0.084 118.640 118.700 0.040 0.000 2.515 500 N HA 0.031 4.771 4.740 -0.000 0.000 0.191 500 N C -0.408 175.112 175.510 0.016 0.000 1.182 500 N CA 0.106 53.206 53.050 0.083 0.000 0.879 500 N CB 0.180 38.695 38.487 0.045 0.000 0.984 500 N HN 0.077 nan 8.380 nan 0.000 0.453 501 V N 0.720 120.547 119.914 -0.144 0.000 2.769 501 V HA 0.175 4.295 4.120 -0.000 0.000 0.312 501 V C 0.266 175.961 176.094 -0.666 0.000 1.058 501 V CA -1.239 60.900 62.300 -0.267 0.000 0.952 501 V CB 1.754 33.491 31.823 -0.143 0.000 1.019 501 V HN 0.243 nan 8.190 nan 0.000 0.445 502 N N 5.263 123.507 118.700 -0.761 0.000 2.399 502 N HA 0.031 4.771 4.740 -0.000 0.000 0.284 502 N C -1.359 174.005 175.510 -0.243 0.000 1.283 502 N CA -0.998 51.571 53.050 -0.802 0.000 0.972 502 N CB 1.261 39.671 38.487 -0.128 0.000 1.328 502 N HN 0.409 nan 8.380 nan 0.000 0.486 503 P HA -0.171 nan 4.420 nan 0.000 0.211 503 P C 1.308 178.625 177.300 0.029 0.000 1.179 503 P CA 1.153 64.088 63.100 -0.273 0.000 0.910 503 P CB -0.131 31.112 31.700 -0.761 0.000 0.785 504 F N 0.822 120.777 119.950 0.008 0.000 2.076 504 F HA -0.244 4.283 4.527 -0.000 0.000 0.294 504 F C 1.858 177.771 175.800 0.188 0.000 1.078 504 F CA 1.623 59.756 58.000 0.221 0.000 1.247 504 F CB -2.322 36.821 39.000 0.239 0.000 0.984 504 F HN 0.019 nan 8.300 nan 0.000 0.491 505 N N 0.104 119.027 118.700 0.371 0.000 2.586 505 N HA -0.116 4.624 4.740 -0.000 0.000 0.206 505 N C 0.316 176.005 175.510 0.298 0.000 1.377 505 N CA 0.328 53.550 53.050 0.286 0.000 0.871 505 N CB -0.809 37.836 38.487 0.264 0.000 1.107 505 N HN 0.395 nan 8.380 nan 0.000 0.462 506 H N 0.353 119.530 119.070 0.178 0.000 2.490 506 H HA 0.073 4.629 4.556 -0.000 0.000 0.354 506 H C 1.815 177.315 175.328 0.288 0.000 1.365 506 H CA 0.009 56.177 56.048 0.200 0.000 1.413 506 H CB 0.687 30.481 29.762 0.054 0.000 1.631 506 H HN 0.176 nan 8.280 nan 0.000 0.607 507 H N 0.811 119.493 119.070 -0.646 0.000 2.486 507 H HA 0.099 4.655 4.556 -0.000 0.000 0.287 507 H C 1.347 176.488 175.328 -0.311 0.000 1.010 507 H CA 0.741 56.635 56.048 -0.258 0.000 1.324 507 H CB -0.060 29.701 29.762 -0.001 0.000 1.446 507 H HN 0.479 nan 8.280 nan 0.000 0.537 508 R N 1.521 121.517 120.500 -0.839 0.000 2.423 508 R HA 0.001 4.341 4.340 -0.000 0.000 0.248 508 R C 0.241 176.034 176.300 -0.845 0.000 1.019 508 R CA -0.214 55.472 56.100 -0.689 0.000 1.119 508 R CB -0.215 29.752 30.300 -0.556 0.000 1.176 508 R HN 0.160 nan 8.270 nan 0.000 0.526 509 N N 1.008 119.471 118.700 -0.396 0.000 2.400 509 N HA -0.126 4.614 4.740 -0.000 0.000 0.278 509 N C 0.556 175.932 175.510 -0.223 0.000 1.247 509 N CA 0.158 53.039 53.050 -0.281 0.000 0.970 509 N CB 0.227 38.722 38.487 0.014 0.000 1.312 509 N HN 0.313 nan 8.380 nan 0.000 0.488 510 W N 2.685 124.018 121.300 0.055 0.000 2.359 510 W HA -0.102 4.558 4.660 -0.000 0.000 0.275 510 W C 1.903 178.517 176.519 0.159 0.000 1.217 510 W CA 0.820 58.204 57.345 0.065 0.000 1.196 510 W CB -1.104 28.393 29.460 0.061 0.000 1.129 510 W HN 0.581 nan 8.180 nan 0.000 0.566 511 G N 0.706 109.707 108.800 0.335 0.000 2.424 511 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.214 511 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.214 511 G C 1.424 176.451 174.900 0.212 0.000 1.202 511 G CA 0.870 46.154 45.100 0.306 0.000 0.793 511 G HN 0.154 nan 8.290 nan 0.000 0.534 512 L N 0.846 122.142 121.223 0.121 0.000 2.191 512 L HA 0.101 4.441 4.340 -0.000 0.000 0.212 512 L C 2.430 179.239 176.870 -0.102 0.000 1.103 512 L CA 1.998 56.872 54.840 0.057 0.000 0.769 512 L CB -0.478 41.627 42.059 0.077 0.000 0.908 512 L HN 0.220 nan 8.230 nan 0.000 0.438 513 K N -1.978 118.298 120.400 -0.208 0.000 2.217 513 K HA -0.215 4.105 4.320 -0.000 0.000 0.202 513 K C 2.034 178.501 176.600 -0.222 0.000 1.051 513 K CA 1.333 57.234 56.287 -0.643 0.000 0.952 513 K CB -0.171 32.090 32.500 -0.398 0.000 0.736 513 K HN 0.481 nan 8.250 nan 0.000 0.453 514 Y N 0.947 121.220 120.300 -0.046 0.000 2.159 514 Y HA -0.050 4.500 4.550 -0.000 0.000 0.285 514 Y C 1.908 177.817 175.900 0.015 0.000 1.106 514 Y CA 1.217 59.340 58.100 0.040 0.000 1.095 514 Y CB -0.103 38.408 38.460 0.085 0.000 1.015 514 Y HN -0.149 nan 8.280 nan 0.000 0.491 515 R N -0.143 120.337 120.500 -0.032 0.000 2.211 515 R HA -0.139 4.201 4.340 -0.000 0.000 0.240 515 R C 1.440 177.693 176.300 -0.077 0.000 1.144 515 R CA 1.143 57.187 56.100 -0.093 0.000 0.992 515 R CB -0.535 29.827 30.300 0.104 0.000 0.869 515 R HN 0.202 nan 8.270 nan 0.000 0.462 516 S N 0.358 116.041 115.700 -0.028 0.000 3.697 516 S HA 0.081 4.551 4.470 -0.000 0.000 0.207 516 S C 0.514 175.199 174.600 0.142 0.000 1.459 516 S CA -0.176 58.069 58.200 0.075 0.000 1.122 516 S CB 0.247 63.608 63.200 0.269 0.000 1.311 516 S HN 0.213 nan 8.310 nan 0.000 0.487 517 Q N 0.194 119.995 119.800 0.001 0.000 1.786 517 Q HA 0.143 4.482 4.340 -0.000 0.000 0.175 517 Q C 0.531 176.516 176.000 -0.024 0.000 0.661 517 Q CA 0.058 55.880 55.803 0.032 0.000 0.747 517 Q CB -0.419 28.329 28.738 0.017 0.000 1.206 517 Q HN 0.512 nan 8.270 nan 0.000 0.386 518 L N 1.481 122.632 121.223 -0.119 0.000 2.834 518 L HA -0.015 4.325 4.340 -0.000 0.000 0.252 518 L C 1.531 178.421 176.870 0.034 0.000 1.152 518 L CA 1.104 55.910 54.840 -0.058 0.000 0.898 518 L CB -0.606 41.402 42.059 -0.085 0.000 1.078 518 L HN 0.116 nan 8.230 nan 0.000 0.439 519 L N -2.019 119.229 121.223 0.042 0.000 2.738 519 L HA 0.630 4.970 4.340 -0.000 0.000 0.175 519 L C 0.839 177.759 176.870 0.083 0.000 1.125 519 L CA 0.527 55.408 54.840 0.069 0.000 0.857 519 L CB 0.084 42.153 42.059 0.015 0.000 1.300 519 L HN 0.114 nan 8.230 nan 0.000 0.499 520 G N -0.216 108.643 108.800 0.098 0.000 2.352 520 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.303 520 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.303 520 G C -0.717 174.373 174.900 0.318 0.000 1.593 520 G CA -0.078 45.120 45.100 0.164 0.000 0.963 520 G HN 0.141 nan 8.290 nan 0.000 0.685 521 N N -0.774 118.092 118.700 0.278 0.000 2.370 521 N HA 0.053 4.793 4.740 -0.000 0.000 0.198 521 N C 0.533 176.185 175.510 0.236 0.000 1.156 521 N CA 0.583 53.784 53.050 0.251 0.000 0.839 521 N CB 0.637 39.125 38.487 0.002 0.000 0.989 521 N HN 0.844 nan 8.380 nan 0.000 0.468 522 S N 0.845 116.753 115.700 0.347 0.000 2.454 522 S HA 0.301 4.771 4.470 -0.000 0.000 0.306 522 S C 0.282 175.120 174.600 0.398 0.000 1.100 522 S CA -1.051 57.321 58.200 0.286 0.000 1.087 522 S CB 1.148 64.479 63.200 0.219 0.000 1.019 522 S HN 0.367 nan 8.310 nan 0.000 0.480 523 R N 3.074 123.827 120.500 0.422 0.000 3.152 523 R HA 0.262 4.602 4.340 -0.000 0.000 0.209 523 R C -1.299 175.212 176.300 0.352 0.000 1.649 523 R CA -0.216 56.083 56.100 0.332 0.000 1.185 523 R CB -1.047 29.432 30.300 0.299 0.000 1.258 523 R HN 0.675 nan 8.270 nan 0.000 0.656 524 Y N 0.739 121.059 120.300 0.034 0.000 2.167 524 Y HA 0.105 4.655 4.550 -0.000 0.000 0.318 524 Y C -1.893 174.041 175.900 0.058 0.000 1.394 524 Y CA -1.250 56.874 58.100 0.040 0.000 1.505 524 Y CB 0.332 38.824 38.460 0.053 0.000 1.264 524 Y HN 0.660 nan 8.280 nan 0.000 0.415 525 C N 7.205 126.406 119.300 -0.165 0.000 2.505 525 C HA 0.632 5.092 4.460 -0.000 0.000 0.342 525 C C -0.622 174.307 174.990 -0.102 0.000 1.121 525 C CA -0.924 58.078 59.018 -0.027 0.000 1.306 525 C CB 0.474 28.253 27.740 0.066 0.000 1.897 525 C HN 0.842 nan 8.230 nan 0.000 0.446 526 R N 5.212 125.657 120.500 -0.091 0.000 3.688 526 R HA 0.282 4.622 4.340 -0.000 0.000 0.194 526 R C -0.047 176.216 176.300 -0.062 0.000 1.677 526 R CA -0.659 55.349 56.100 -0.154 0.000 1.351 526 R CB -1.167 29.094 30.300 -0.064 0.000 1.338 526 R HN 0.635 nan 8.270 nan 0.000 0.731 527 F N 0.128 120.063 119.950 -0.025 0.000 2.188 527 F HA 0.474 5.001 4.527 0.000 0.000 0.279 527 F C 0.074 175.963 175.800 0.147 0.000 1.210 527 F CA -0.415 57.622 58.000 0.062 0.000 1.200 527 F CB 0.311 39.356 39.000 0.075 0.000 1.552 527 F HN 0.479 nan 8.300 nan 0.000 0.507 528 H N -0.321 119.022 119.070 0.455 0.000 3.041 528 H HA 0.511 5.067 4.556 -0.000 0.000 0.293 528 H C -1.782 173.734 175.328 0.314 0.000 1.166 528 H CA -0.573 55.644 56.048 0.282 0.000 1.529 528 H CB 1.464 31.281 29.762 0.092 0.000 2.050 528 H HN 0.946 nan 8.280 nan 0.000 0.505 529 I N 0.698 121.449 120.570 0.303 0.000 3.229 529 I HA 0.381 4.551 4.170 -0.000 0.000 0.313 529 I C -1.872 174.276 176.117 0.050 0.000 1.317 529 I CA -1.148 60.152 61.300 -0.000 0.000 0.940 529 I CB 2.490 40.428 38.000 -0.103 0.000 1.315 529 I HN 0.408 nan 8.210 nan 0.000 0.484 530 Q N 2.001 121.842 119.800 0.068 0.000 2.464 530 Q HA 0.576 4.916 4.340 -0.000 0.000 0.256 530 Q C -1.302 174.899 176.000 0.335 0.000 1.020 530 Q CA -0.370 55.605 55.803 0.287 0.000 0.716 530 Q CB 2.171 31.177 28.738 0.448 0.000 1.230 530 Q HN 0.487 nan 8.270 nan 0.000 0.494 531 V N 4.811 124.774 119.914 0.082 0.000 2.439 531 V HA 0.554 4.674 4.120 -0.000 0.000 0.282 531 V C -1.908 174.184 176.094 -0.002 0.000 1.039 531 V CA -1.467 60.815 62.300 -0.030 0.000 0.913 531 V CB 1.299 32.903 31.823 -0.364 0.000 0.983 531 V HN 0.620 nan 8.190 nan 0.000 0.460 532 P HA 0.411 nan 4.420 nan 0.000 0.314 532 P C -1.515 175.485 177.300 -0.500 0.000 1.306 532 P CA -0.496 62.294 63.100 -0.517 0.000 0.782 532 P CB 1.439 32.460 31.700 -1.133 0.000 1.337 533 Q N 0.030 119.489 119.800 -0.568 0.000 2.486 533 Q HA 0.413 4.753 4.340 -0.000 0.000 0.274 533 Q C -0.088 175.593 176.000 -0.531 0.000 1.076 533 Q CA -0.445 55.051 55.803 -0.512 0.000 0.872 533 Q CB 1.169 29.559 28.738 -0.579 0.000 1.383 533 Q HN 0.455 nan 8.270 nan 0.000 0.478 534 K N -0.401 119.726 120.400 -0.454 0.000 2.618 534 K HA 0.038 4.358 4.320 -0.000 0.000 0.205 534 K C -0.198 176.294 176.600 -0.181 0.000 1.445 534 K CA -0.447 55.620 56.287 -0.368 0.000 1.034 534 K CB -0.572 31.634 32.500 -0.490 0.000 1.209 534 K HN 0.581 nan 8.250 nan 0.000 0.627 535 Y N 3.706 123.828 120.300 -0.297 0.000 2.831 535 Y HA -0.177 4.372 4.550 -0.000 0.000 0.378 535 Y C 1.310 177.216 175.900 0.010 0.000 1.332 535 Y CA -0.659 57.389 58.100 -0.086 0.000 1.693 535 Y CB -0.282 38.168 38.460 -0.016 0.000 1.191 535 Y HN 0.220 nan 8.280 nan 0.000 0.516 536 F N 4.892 124.648 119.950 -0.323 0.000 2.118 536 F HA -0.366 4.161 4.527 -0.000 0.000 0.297 536 F C 1.460 176.891 175.800 -0.615 0.000 1.061 536 F CA 2.038 59.815 58.000 -0.372 0.000 1.268 536 F CB -0.578 38.325 39.000 -0.161 0.000 1.019 536 F HN 0.537 nan 8.300 nan 0.000 0.492 537 A N -0.162 121.506 122.820 -1.920 0.000 2.684 537 A HA 0.497 4.817 4.320 -0.000 0.000 0.288 537 A C 1.236 178.388 177.584 -0.720 0.000 1.337 537 A CA 0.234 51.365 52.037 -1.510 0.000 0.946 537 A CB -1.131 17.397 19.000 -0.787 0.000 1.093 537 A HN 0.774 nan 8.150 nan 0.000 0.543 538 I N -6.438 113.695 120.570 -0.728 0.000 5.251 538 I HA 0.209 4.379 4.170 -0.000 0.000 0.340 538 I C 1.540 177.301 176.117 -0.593 0.000 1.201 538 I CA 0.057 61.084 61.300 -0.455 0.000 1.500 538 I CB -0.285 37.708 38.000 -0.012 0.000 1.636 538 I HN -0.033 nan 8.210 nan 0.000 0.561 539 K N 2.500 122.589 120.400 -0.518 0.000 2.277 539 K HA -0.229 4.091 4.320 -0.000 0.000 0.206 539 K C 0.469 176.826 176.600 -0.404 0.000 1.044 539 K CA 2.143 58.190 56.287 -0.399 0.000 0.932 539 K CB -0.407 31.898 32.500 -0.326 0.000 0.726 539 K HN 0.544 nan 8.250 nan 0.000 0.473 540 N N 0.471 118.763 118.700 -0.679 0.000 2.238 540 N HA 0.024 4.764 4.740 -0.000 0.000 0.235 540 N C -0.459 174.845 175.510 -0.342 0.000 1.209 540 N CA -0.280 52.476 53.050 -0.491 0.000 0.879 540 N CB 0.366 38.611 38.487 -0.403 0.000 1.136 540 N HN 0.062 nan 8.380 nan 0.000 0.517 541 L N 1.428 122.434 121.223 -0.362 0.000 2.417 541 L HA 0.388 4.728 4.340 -0.000 0.000 0.268 541 L C -0.521 176.376 176.870 0.044 0.000 1.158 541 L CA -0.286 54.611 54.840 0.095 0.000 0.819 541 L CB 0.671 42.772 42.059 0.071 0.000 1.112 541 L HN -0.037 nan 8.230 nan 0.000 0.458 542 L N 5.759 127.034 121.223 0.088 0.000 2.454 542 L HA 0.465 4.805 4.340 -0.000 0.000 0.258 542 L C -1.119 175.777 176.870 0.043 0.000 1.025 542 L CA -0.132 54.724 54.840 0.026 0.000 0.901 542 L CB 0.788 42.858 42.059 0.019 0.000 1.210 542 L HN 0.563 nan 8.230 nan 0.000 0.457 543 L N 4.180 125.440 121.223 0.062 0.000 2.426 543 L HA 0.259 4.599 4.340 -0.000 0.000 0.271 543 L C -0.327 176.661 176.870 0.197 0.000 1.169 543 L CA -0.382 54.552 54.840 0.156 0.000 0.836 543 L CB 0.678 42.912 42.059 0.292 0.000 1.112 543 L HN 0.413 nan 8.230 nan 0.000 0.465 544 L N 3.972 125.348 121.223 0.254 0.000 2.375 544 L HA 0.501 4.841 4.340 -0.000 0.000 0.268 544 L C -2.043 174.960 176.870 0.222 0.000 1.058 544 L CA -1.698 53.263 54.840 0.202 0.000 0.803 544 L CB 0.173 42.320 42.059 0.147 0.000 1.212 544 L HN 0.328 nan 8.230 nan 0.000 0.451 545 P HA 0.005 nan 4.420 nan 0.000 0.270 545 P C -0.218 177.056 177.300 -0.042 0.000 1.149 545 P CA 1.311 64.458 63.100 0.078 0.000 0.752 545 P CB 0.091 31.843 31.700 0.087 0.000 0.751 546 G N 1.080 109.789 108.800 -0.152 0.000 3.269 546 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.668 546 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.668 546 G C 0.045 174.544 174.900 -0.668 0.000 1.100 546 G CA -0.395 44.541 45.100 -0.275 0.000 0.940 546 G HN 0.782 nan 8.290 nan 0.000 0.438 547 T N 1.046 115.344 114.554 -0.426 0.000 2.770 547 T HA 0.114 4.464 4.350 -0.000 0.000 0.287 547 T C -0.074 174.356 174.700 -0.450 0.000 1.025 547 T CA 1.109 62.975 62.100 -0.389 0.000 1.143 547 T CB -0.066 68.713 68.868 -0.148 0.000 1.077 547 T HN 1.238 nan 8.240 nan 0.000 0.476 548 Y N 2.294 122.641 120.300 0.077 0.000 2.317 548 Y HA 0.312 4.862 4.550 0.000 0.000 0.325 548 Y C 0.859 176.817 175.900 0.098 0.000 1.066 548 Y CA -1.128 57.013 58.100 0.069 0.000 1.203 548 Y CB 0.897 39.387 38.460 0.051 0.000 1.127 548 Y HN 0.694 nan 8.280 nan 0.000 0.451 549 T N 3.431 118.128 114.554 0.238 0.000 2.906 549 T HA -0.029 4.321 4.350 -0.000 0.000 0.329 549 T C -0.839 174.052 174.700 0.319 0.000 1.091 549 T CA 0.756 62.987 62.100 0.219 0.000 1.127 549 T CB 0.204 69.163 68.868 0.152 0.000 1.035 549 T HN 0.628 nan 8.240 nan 0.000 0.547 550 Y N 1.391 121.797 120.300 0.177 0.000 2.442 550 Y HA 0.384 4.934 4.550 -0.000 0.000 0.330 550 Y C -1.056 174.973 175.900 0.215 0.000 1.100 550 Y CA -1.046 57.203 58.100 0.249 0.000 1.034 550 Y CB 1.331 39.990 38.460 0.333 0.000 1.285 550 Y HN 0.793 nan 8.280 nan 0.000 0.440 551 E N 5.682 126.161 120.200 0.464 0.000 2.343 551 E HA 0.233 4.583 4.350 -0.000 0.000 0.286 551 E C -2.126 174.562 176.600 0.146 0.000 0.915 551 E CA -0.810 55.658 56.400 0.113 0.000 0.784 551 E CB 2.295 31.983 29.700 -0.021 0.000 1.251 551 E HN 0.526 nan 8.360 nan 0.000 0.407 552 W N 2.354 123.557 121.300 -0.162 0.000 3.040 552 W HA 0.648 5.308 4.660 -0.000 0.000 0.344 552 W C -1.457 174.928 176.519 -0.224 0.000 1.201 552 W CA -0.761 56.525 57.345 -0.098 0.000 1.119 552 W CB 2.307 31.794 29.460 0.045 0.000 1.478 552 W HN 0.421 nan 8.180 nan 0.000 0.586 553 V N 3.121 123.077 119.914 0.069 0.000 2.733 553 V HA 0.267 4.387 4.120 -0.000 0.000 0.306 553 V C -0.219 176.061 176.094 0.310 0.000 1.084 553 V CA -0.817 61.517 62.300 0.057 0.000 0.905 553 V CB 1.554 33.332 31.823 -0.075 0.000 1.010 553 V HN 0.261 nan 8.190 nan 0.000 0.424 554 L N 3.603 124.974 121.223 0.248 0.000 2.466 554 L HA 0.589 4.929 4.340 -0.000 0.000 0.257 554 L C 0.408 177.522 176.870 0.406 0.000 1.189 554 L CA 0.366 55.391 54.840 0.308 0.000 0.813 554 L CB 0.295 42.547 42.059 0.320 0.000 1.118 554 L HN 0.654 nan 8.230 nan 0.000 0.471 555 R N -0.071 120.539 120.500 0.182 0.000 2.923 555 R HA 0.523 4.863 4.340 -0.000 0.000 0.252 555 R C -0.048 176.313 176.300 0.102 0.000 1.130 555 R CA -0.567 55.514 56.100 -0.031 0.000 1.043 555 R CB 1.289 31.229 30.300 -0.600 0.000 1.205 555 R HN 0.621 nan 8.270 nan 0.000 0.495 556 K N -0.694 119.733 120.400 0.045 0.000 2.504 556 K HA 0.069 4.389 4.320 -0.000 0.000 0.203 556 K C -0.606 176.000 176.600 0.011 0.000 1.350 556 K CA -0.312 55.987 56.287 0.019 0.000 0.953 556 K CB 0.379 32.879 32.500 0.000 0.000 1.243 556 K HN 0.486 nan 8.250 nan 0.000 0.534 557 D N 4.520 124.942 120.400 0.036 0.000 2.819 557 D HA -0.073 4.567 4.640 -0.000 0.000 0.236 557 D C -1.451 174.881 176.300 0.054 0.000 1.181 557 D CA -0.699 53.344 54.000 0.071 0.000 0.855 557 D CB 0.956 41.840 40.800 0.141 0.000 1.146 557 D HN 0.047 nan 8.370 nan 0.000 0.540 558 P HA -0.137 nan 4.420 nan 0.000 0.226 558 P C 0.126 177.414 177.300 -0.021 0.000 1.146 558 P CA 0.739 63.830 63.100 -0.016 0.000 0.773 558 P CB 0.250 31.929 31.700 -0.035 0.000 0.772 559 N N -0.592 118.122 118.700 0.024 0.000 2.546 559 N HA 0.196 4.936 4.740 -0.000 0.000 0.286 559 N C 0.623 176.286 175.510 0.254 0.000 1.259 559 N CA -0.040 53.015 53.050 0.008 0.000 0.939 559 N CB 0.455 38.839 38.487 -0.172 0.000 1.243 559 N HN 0.112 nan 8.380 nan 0.000 0.511 560 M N -0.636 119.061 119.600 0.162 0.000 1.697 560 M HA 0.133 4.613 4.480 -0.000 0.000 0.172 560 M C 1.115 177.494 176.300 0.133 0.000 1.541 560 M CA 0.508 55.909 55.300 0.168 0.000 0.808 560 M CB -0.447 32.218 32.600 0.107 0.000 1.591 560 M HN 0.045 nan 8.290 nan 0.000 0.612 561 I N 0.277 120.920 120.570 0.122 0.000 3.764 561 I HA 0.416 4.586 4.170 -0.000 0.000 0.312 561 I C -0.747 175.512 176.117 0.237 0.000 1.340 561 I CA 0.349 61.780 61.300 0.218 0.000 1.195 561 I CB -0.215 37.912 38.000 0.211 0.000 1.068 561 I HN 0.107 nan 8.210 nan 0.000 0.421 562 L N 1.091 122.352 121.223 0.063 0.000 2.641 562 L HA 0.379 4.719 4.340 -0.000 0.000 0.261 562 L C -0.865 175.934 176.870 -0.118 0.000 0.926 562 L CA -0.366 54.379 54.840 -0.158 0.000 0.917 562 L CB 2.407 44.312 42.059 -0.257 0.000 1.361 562 L HN 0.288 nan 8.230 nan 0.000 0.417 563 Q N 1.617 121.343 119.800 -0.124 0.000 2.205 563 Q HA 0.752 5.092 4.340 -0.000 0.000 0.249 563 Q C -0.878 175.081 176.000 -0.070 0.000 0.948 563 Q CA -0.489 55.273 55.803 -0.069 0.000 0.895 563 Q CB 2.173 30.920 28.738 0.015 0.000 1.249 563 Q HN 0.674 nan 8.270 nan 0.000 0.458 564 S N -0.146 115.529 115.700 -0.041 0.000 2.548 564 S HA 0.217 4.687 4.470 -0.000 0.000 0.276 564 S C 0.456 175.097 174.600 0.069 0.000 1.129 564 S CA -0.186 58.022 58.200 0.013 0.000 0.931 564 S CB 1.525 64.702 63.200 -0.039 0.000 1.068 564 S HN 0.789 nan 8.310 nan 0.000 0.480 565 S N 2.571 118.361 115.700 0.150 0.000 2.359 565 S HA -0.165 4.304 4.470 -0.000 0.000 0.223 565 S C 1.564 176.245 174.600 0.134 0.000 1.039 565 S CA 1.146 59.460 58.200 0.190 0.000 1.042 565 S CB -0.744 62.635 63.200 0.297 0.000 0.915 565 S HN 0.593 nan 8.310 nan 0.000 0.439 566 L N 1.997 123.251 121.223 0.051 0.000 2.313 566 L HA 0.316 4.656 4.340 -0.000 0.000 0.214 566 L C 1.507 178.383 176.870 0.010 0.000 1.119 566 L CA 1.219 56.047 54.840 -0.021 0.000 0.809 566 L CB -1.376 40.588 42.059 -0.159 0.000 0.933 566 L HN 0.753 nan 8.230 nan 0.000 0.449 567 G N 1.141 109.937 108.800 -0.006 0.000 2.422 567 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.290 567 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.290 567 G C -0.316 174.564 174.900 -0.033 0.000 1.059 567 G CA 0.426 45.493 45.100 -0.054 0.000 1.242 567 G HN 0.721 nan 8.290 nan 0.000 0.520 568 N N -0.448 118.202 118.700 -0.083 0.000 2.310 568 N HA 0.516 5.256 4.740 -0.000 0.000 0.292 568 N C -0.349 175.105 175.510 -0.094 0.000 1.049 568 N CA -0.463 52.557 53.050 -0.051 0.000 0.849 568 N CB 1.381 39.856 38.487 -0.020 0.000 1.532 568 N HN 0.372 nan 8.380 nan 0.000 0.479 569 D N 0.939 121.267 120.400 -0.121 0.000 2.836 569 D HA -0.126 4.514 4.640 -0.000 0.000 0.220 569 D C 0.161 176.423 176.300 -0.063 0.000 1.094 569 D CA 0.135 54.056 54.000 -0.131 0.000 0.820 569 D CB 0.499 41.228 40.800 -0.119 0.000 1.171 569 D HN 0.599 nan 8.370 nan 0.000 0.507 570 L N 1.071 122.258 121.223 -0.059 0.000 2.611 570 L HA 0.184 4.524 4.340 -0.000 0.000 0.229 570 L C 2.064 178.931 176.870 -0.005 0.000 1.137 570 L CA 0.016 54.845 54.840 -0.019 0.000 0.901 570 L CB -0.341 41.695 42.059 -0.038 0.000 1.098 570 L HN 0.411 nan 8.230 nan 0.000 0.456 571 R N -0.089 120.403 120.500 -0.014 0.000 2.080 571 R HA 0.160 4.500 4.340 -0.000 0.000 0.222 571 R C 2.267 178.570 176.300 0.004 0.000 1.107 571 R CA 0.892 56.991 56.100 -0.002 0.000 0.980 571 R CB -0.826 29.476 30.300 0.002 0.000 0.879 571 R HN 0.128 nan 8.270 nan 0.000 0.439 572 A N 1.481 124.298 122.820 -0.005 0.000 2.084 572 A HA -0.133 4.187 4.320 -0.000 0.000 0.221 572 A C 0.312 177.904 177.584 0.013 0.000 1.161 572 A CA 1.452 53.482 52.037 -0.013 0.000 0.653 572 A CB -0.220 18.764 19.000 -0.028 0.000 0.802 572 A HN 0.319 nan 8.150 nan 0.000 0.457 573 D N -0.337 120.088 120.400 0.041 0.000 2.772 573 D HA 0.247 4.887 4.640 -0.000 0.000 0.326 573 D C 0.284 176.617 176.300 0.055 0.000 1.207 573 D CA 0.076 54.121 54.000 0.076 0.000 0.777 573 D CB 0.143 41.021 40.800 0.131 0.000 1.169 573 D HN 0.279 nan 8.370 nan 0.000 0.506 574 G N 1.483 110.305 108.800 0.036 0.000 2.898 574 G HA2 0.069 4.029 3.960 -0.000 0.000 0.325 574 G HA3 0.069 4.029 3.960 -0.000 0.000 0.325 574 G C 0.663 175.580 174.900 0.028 0.000 0.279 574 G CA 0.327 45.442 45.100 0.025 0.000 1.228 574 G HN 0.444 nan 8.290 nan 0.000 0.256 575 A N 2.079 124.906 122.820 0.012 0.000 2.332 575 A HA 0.737 5.057 4.320 -0.000 0.000 0.258 575 A C 0.307 177.884 177.584 -0.011 0.000 1.087 575 A CA -0.173 51.865 52.037 0.002 0.000 0.802 575 A CB 1.097 20.077 19.000 -0.034 0.000 1.042 575 A HN 0.718 nan 8.150 nan 0.000 0.489 576 Q N 0.162 119.955 119.800 -0.013 0.000 2.315 576 Q HA 0.595 4.935 4.340 -0.000 0.000 0.273 576 Q C -1.565 174.394 176.000 -0.069 0.000 1.053 576 Q CA -0.394 55.390 55.803 -0.030 0.000 0.817 576 Q CB 1.657 30.400 28.738 0.008 0.000 1.326 576 Q HN 0.727 nan 8.270 nan 0.000 0.423 577 I N 3.245 123.747 120.570 -0.114 0.000 2.689 577 I HA 0.784 4.954 4.170 -0.000 0.000 0.299 577 I C -1.635 174.335 176.117 -0.246 0.000 1.059 577 I CA -0.963 60.236 61.300 -0.169 0.000 1.055 577 I CB 2.098 39.953 38.000 -0.242 0.000 1.243 577 I HN 0.524 nan 8.210 nan 0.000 0.425 578 V N 8.163 127.916 119.914 -0.268 0.000 2.624 578 V HA 0.365 4.485 4.120 -0.000 0.000 0.294 578 V C -1.678 174.254 176.094 -0.270 0.000 1.077 578 V CA -0.404 61.725 62.300 -0.286 0.000 0.905 578 V CB 1.615 33.338 31.823 -0.166 0.000 1.025 578 V HN 0.580 nan 8.190 nan 0.000 0.440 579 Y N 5.308 125.487 120.300 -0.202 0.000 2.624 579 Y HA 0.243 4.793 4.550 -0.000 0.000 0.354 579 Y C 1.946 177.704 175.900 -0.236 0.000 1.051 579 Y CA 0.511 58.464 58.100 -0.246 0.000 1.377 579 Y CB 0.731 38.858 38.460 -0.555 0.000 1.168 579 Y HN 0.735 nan 8.280 nan 0.000 0.525 580 T N 2.447 116.971 114.554 -0.050 0.000 2.580 580 T HA -0.179 4.170 4.350 -0.000 0.000 0.265 580 T C 0.266 174.971 174.700 0.008 0.000 1.063 580 T CA 1.983 64.042 62.100 -0.070 0.000 1.170 580 T CB -0.106 68.677 68.868 -0.141 0.000 0.863 580 T HN 0.772 nan 8.240 nan 0.000 0.418 581 E N -1.212 119.015 120.200 0.045 0.000 2.401 581 E HA 0.656 5.006 4.350 -0.000 0.000 0.280 581 E C -1.932 174.754 176.600 0.143 0.000 1.039 581 E CA -0.986 55.484 56.400 0.116 0.000 0.814 581 E CB 1.882 31.630 29.700 0.081 0.000 1.275 581 E HN 0.011 nan 8.360 nan 0.000 0.448 582 V N 0.802 120.837 119.914 0.200 0.000 3.147 582 V HA 0.538 4.658 4.120 -0.000 0.000 0.306 582 V C -1.108 175.125 176.094 0.231 0.000 1.209 582 V CA -0.740 61.665 62.300 0.174 0.000 1.023 582 V CB 2.163 34.086 31.823 0.166 0.000 1.059 582 V HN 0.879 nan 8.190 nan 0.000 0.435 583 N N 0.962 119.734 118.700 0.121 0.000 3.479 583 N HA 0.786 5.526 4.740 -0.000 0.000 0.336 583 N C -1.601 173.681 175.510 -0.381 0.000 1.623 583 N CA -0.701 52.331 53.050 -0.029 0.000 0.759 583 N CB 1.242 39.664 38.487 -0.108 0.000 2.016 583 N HN 0.581 nan 8.380 nan 0.000 0.637 584 L N 1.001 121.884 121.223 -0.568 0.000 2.471 584 L HA 0.534 4.874 4.340 -0.000 0.000 0.263 584 L C -1.395 175.226 176.870 -0.415 0.000 0.985 584 L CA -0.294 54.262 54.840 -0.472 0.000 0.868 584 L CB 0.835 42.550 42.059 -0.572 0.000 1.203 584 L HN 0.451 nan 8.230 nan 0.000 0.429 585 M N 3.052 122.324 119.600 -0.546 0.000 2.202 585 M HA 0.732 5.212 4.480 -0.000 0.000 0.316 585 M C 0.027 176.082 176.300 -0.407 0.000 1.138 585 M CA -0.166 54.797 55.300 -0.562 0.000 1.151 585 M CB 1.422 33.553 32.600 -0.781 0.000 1.422 585 M HN 0.725 nan 8.290 nan 0.000 0.471 586 A N 2.557 125.235 122.820 -0.236 0.000 2.532 586 A HA 0.543 4.863 4.320 -0.000 0.000 0.296 586 A C -1.332 176.331 177.584 0.132 0.000 1.058 586 A CA -0.986 51.051 52.037 0.000 0.000 0.729 586 A CB 1.043 20.048 19.000 0.008 0.000 1.285 586 A HN 0.796 nan 8.150 nan 0.000 0.396 587 N N 2.372 121.196 118.700 0.207 0.000 2.469 587 N HA 0.505 5.245 4.740 -0.000 0.000 0.253 587 N C -1.177 174.466 175.510 0.222 0.000 0.970 587 N CA -0.047 53.112 53.050 0.182 0.000 0.940 587 N CB 0.988 39.542 38.487 0.112 0.000 1.128 587 N HN 0.437 nan 8.380 nan 0.000 0.503 588 F N 0.804 120.696 119.950 -0.097 0.000 2.362 588 F HA 0.405 4.932 4.527 0.000 0.000 0.311 588 F C 1.177 176.889 175.800 -0.146 0.000 1.161 588 F CA -0.612 57.310 58.000 -0.131 0.000 1.085 588 F CB 0.724 39.581 39.000 -0.239 0.000 1.311 588 F HN 0.132 nan 8.300 nan 0.000 0.524 589 M N 3.782 123.366 119.600 -0.027 0.000 2.044 589 M HA 0.214 4.694 4.480 -0.000 0.000 0.333 589 M C -2.068 174.168 176.300 -0.107 0.000 1.004 589 M CA -1.664 53.595 55.300 -0.068 0.000 0.954 589 M CB 1.469 34.019 32.600 -0.082 0.000 1.468 589 M HN 0.153 nan 8.290 nan 0.000 0.414 590 P HA -0.089 nan 4.420 nan 0.000 0.234 590 P C -0.196 177.050 177.300 -0.090 0.000 1.457 590 P CA 0.330 63.352 63.100 -0.129 0.000 0.891 590 P CB -0.401 31.250 31.700 -0.083 0.000 1.734 591 M N 1.243 120.774 119.600 -0.114 0.000 2.356 591 M HA 0.009 4.489 4.480 -0.000 0.000 0.348 591 M C 0.853 177.105 176.300 -0.080 0.000 1.595 591 M CA 0.523 55.771 55.300 -0.086 0.000 1.095 591 M CB -0.610 31.933 32.600 -0.096 0.000 1.963 591 M HN 0.082 nan 8.290 nan 0.000 0.459 592 D N 2.338 122.736 120.400 -0.004 0.000 2.351 592 D HA -0.121 4.519 4.640 -0.000 0.000 0.232 592 D C 1.272 177.599 176.300 0.045 0.000 1.275 592 D CA 0.757 54.805 54.000 0.080 0.000 0.882 592 D CB 0.648 41.490 40.800 0.069 0.000 1.221 592 D HN 0.538 nan 8.370 nan 0.000 0.485 593 H N 0.676 119.781 119.070 0.059 0.000 2.344 593 H HA 0.017 4.573 4.556 -0.000 0.000 0.307 593 H C 1.652 177.018 175.328 0.064 0.000 1.057 593 H CA 0.603 56.698 56.048 0.079 0.000 1.373 593 H CB 0.101 29.919 29.762 0.094 0.000 1.421 593 H HN 0.469 nan 8.280 nan 0.000 0.532 594 N N 0.651 119.448 118.700 0.162 0.000 2.018 594 N HA -0.156 4.584 4.740 -0.000 0.000 0.196 594 N C 1.783 177.333 175.510 0.065 0.000 1.043 594 N CA 1.871 54.980 53.050 0.097 0.000 0.856 594 N CB -0.562 37.970 38.487 0.074 0.000 1.042 594 N HN 0.166 nan 8.380 nan 0.000 0.423 595 T N 1.370 115.956 114.554 0.053 0.000 2.592 595 T HA -0.254 4.095 4.350 -0.000 0.000 0.267 595 T C 2.438 177.147 174.700 0.016 0.000 1.060 595 T CA 2.209 64.326 62.100 0.029 0.000 1.167 595 T CB -0.610 68.271 68.868 0.022 0.000 0.863 595 T HN 0.522 nan 8.240 nan 0.000 0.431 596 S N 2.578 118.277 115.700 -0.001 0.000 2.398 596 S HA -0.275 4.194 4.470 -0.000 0.000 0.220 596 S C 1.993 176.603 174.600 0.016 0.000 1.038 596 S CA 1.652 59.841 58.200 -0.019 0.000 1.080 596 S CB -1.119 62.023 63.200 -0.097 0.000 1.039 596 S HN 0.508 nan 8.310 nan 0.000 0.419 597 N N 1.403 120.126 118.700 0.038 0.000 2.389 597 N HA -0.243 4.497 4.740 -0.000 0.000 0.194 597 N C 1.738 177.272 175.510 0.040 0.000 1.008 597 N CA 1.816 54.897 53.050 0.052 0.000 0.898 597 N CB -0.455 38.074 38.487 0.070 0.000 0.957 597 N HN 0.683 nan 8.380 nan 0.000 0.447 598 Q N 0.628 120.447 119.800 0.032 0.000 2.036 598 Q HA 0.116 4.456 4.340 -0.000 0.000 0.195 598 Q C 2.283 178.295 176.000 0.020 0.000 0.971 598 Q CA 0.790 56.608 55.803 0.025 0.000 0.826 598 Q CB -0.814 27.938 28.738 0.022 0.000 0.896 598 Q HN 0.409 nan 8.270 nan 0.000 0.449 599 L N 0.802 122.034 121.223 0.015 0.000 2.051 599 L HA -0.272 4.068 4.340 -0.000 0.000 0.214 599 L C 2.401 179.281 176.870 0.017 0.000 1.076 599 L CA 2.269 57.116 54.840 0.012 0.000 0.758 599 L CB -0.329 41.734 42.059 0.006 0.000 0.890 599 L HN 0.514 nan 8.230 nan 0.000 0.433 600 E N -0.085 120.132 120.200 0.027 0.000 2.028 600 E HA -0.296 4.054 4.350 -0.000 0.000 0.191 600 E C 2.213 178.830 176.600 0.029 0.000 0.988 600 E CA 1.301 57.722 56.400 0.035 0.000 0.799 600 E CB -0.323 29.407 29.700 0.051 0.000 0.755 600 E HN 0.355 nan 8.360 nan 0.000 0.447 601 L N 0.460 121.700 121.223 0.029 0.000 2.171 601 L HA -0.260 4.080 4.340 -0.000 0.000 0.216 601 L C 1.861 178.741 176.870 0.017 0.000 1.084 601 L CA 2.043 56.898 54.840 0.024 0.000 0.771 601 L CB -0.345 41.728 42.059 0.024 0.000 0.890 601 L HN 0.327 nan 8.230 nan 0.000 0.437 602 M N -2.096 117.512 119.600 0.013 0.000 2.553 602 M HA 0.069 4.549 4.480 -0.000 0.000 0.255 602 M C 2.065 178.366 176.300 0.002 0.000 1.181 602 M CA 0.650 55.953 55.300 0.006 0.000 1.210 602 M CB -1.655 30.948 32.600 0.004 0.000 1.280 602 M HN 0.176 nan 8.290 nan 0.000 0.495 603 L N 1.306 122.531 121.223 0.004 0.000 2.211 603 L HA -0.170 4.170 4.340 -0.000 0.000 0.216 603 L C 1.372 178.241 176.870 -0.002 0.000 1.092 603 L CA 1.699 56.538 54.840 -0.001 0.000 0.767 603 L CB -0.735 41.328 42.059 0.008 0.000 0.894 603 L HN 0.346 nan 8.230 nan 0.000 0.437 604 R N 0.750 121.255 120.500 0.009 0.000 3.732 604 R HA 0.054 4.394 4.340 -0.000 0.000 0.258 604 R C -0.435 175.865 176.300 0.000 0.000 1.661 604 R CA -0.166 55.939 56.100 0.009 0.000 1.424 604 R CB -0.331 29.983 30.300 0.023 0.000 1.308 604 R HN 0.365 nan 8.270 nan 0.000 0.634 605 N N -1.094 117.600 118.700 -0.010 0.000 2.404 605 N HA 0.290 5.030 4.740 -0.000 0.000 0.297 605 N C 0.376 175.872 175.510 -0.023 0.000 1.163 605 N CA -0.250 52.792 53.050 -0.013 0.000 0.864 605 N CB 1.636 40.116 38.487 -0.013 0.000 1.247 605 N HN 0.017 nan 8.380 nan 0.000 0.510 606 A N -0.040 122.767 122.820 -0.021 0.000 1.878 606 A HA -0.045 4.275 4.320 -0.000 0.000 0.213 606 A C 1.726 179.290 177.584 -0.033 0.000 1.192 606 A CA 1.619 53.640 52.037 -0.027 0.000 0.619 606 A CB -1.136 17.851 19.000 -0.021 0.000 0.837 606 A HN 0.739 nan 8.150 nan 0.000 0.446 607 T N 1.803 116.341 114.554 -0.027 0.000 2.620 607 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 607 T C 0.883 175.560 174.700 -0.039 0.000 1.044 607 T CA 1.550 63.633 62.100 -0.029 0.000 1.161 607 T CB -0.645 68.210 68.868 -0.022 0.000 0.862 607 T HN 0.561 nan 8.240 nan 0.000 0.438 608 N N 2.176 120.852 118.700 -0.040 0.000 2.758 608 N HA 0.124 4.864 4.740 -0.000 0.000 0.293 608 N C -0.982 174.484 175.510 -0.073 0.000 1.273 608 N CA 0.014 53.033 53.050 -0.052 0.000 1.022 608 N CB 0.211 38.673 38.487 -0.041 0.000 1.334 608 N HN 0.451 nan 8.380 nan 0.000 0.519 609 D N 1.572 121.921 120.400 -0.085 0.000 2.343 609 D HA 0.065 4.705 4.640 -0.000 0.000 0.255 609 D C 0.880 177.078 176.300 -0.171 0.000 1.187 609 D CA 0.254 54.186 54.000 -0.114 0.000 0.875 609 D CB 1.487 42.225 40.800 -0.103 0.000 1.136 609 D HN 0.227 nan 8.370 nan 0.000 0.469 610 Q N 0.662 120.325 119.800 -0.227 0.000 2.967 610 Q HA 0.258 4.598 4.340 -0.000 0.000 0.201 610 Q C 0.533 176.236 176.000 -0.494 0.000 1.148 610 Q CA 0.277 55.852 55.803 -0.379 0.000 1.177 610 Q CB 0.507 28.954 28.738 -0.485 0.000 1.323 610 Q HN 0.461 nan 8.270 nan 0.000 0.676 611 T N -1.234 112.829 114.554 -0.817 0.000 2.770 611 T HA 0.554 4.903 4.350 -0.000 0.000 0.323 611 T C -2.214 171.935 174.700 -0.918 0.000 1.683 611 T CA -0.736 60.958 62.100 -0.677 0.000 1.024 611 T CB 0.575 69.264 68.868 -0.299 0.000 1.557 611 T HN 0.338 nan 8.240 nan 0.000 0.494 612 F N 1.186 121.034 119.950 -0.170 0.000 2.588 612 F HA 0.782 5.309 4.527 -0.000 0.000 0.318 612 F C 0.170 175.863 175.800 -0.179 0.000 1.155 612 F CA -0.754 57.079 58.000 -0.278 0.000 0.967 612 F CB 2.030 40.708 39.000 -0.536 0.000 1.236 612 F HN 0.882 nan 8.300 nan 0.000 0.455 613 A N 1.684 124.646 122.820 0.236 0.000 2.330 613 A HA 0.604 4.924 4.320 -0.000 0.000 0.327 613 A C -1.013 176.925 177.584 0.589 0.000 1.155 613 A CA -0.618 51.731 52.037 0.520 0.000 0.803 613 A CB 0.973 20.135 19.000 0.270 0.000 1.208 613 A HN 0.611 nan 8.150 nan 0.000 0.477 614 D N 1.240 122.132 120.400 0.821 0.000 2.312 614 D HA 0.087 4.727 4.640 -0.000 0.000 0.252 614 D C 0.841 177.352 176.300 0.353 0.000 1.150 614 D CA -0.013 54.348 54.000 0.602 0.000 0.870 614 D CB 0.384 41.364 40.800 0.300 0.000 1.153 614 D HN 0.495 nan 8.370 nan 0.000 0.457 615 Y N 4.924 125.337 120.300 0.187 0.000 2.069 615 Y HA -0.272 4.278 4.550 -0.000 0.000 0.278 615 Y C 1.828 177.784 175.900 0.093 0.000 1.175 615 Y CA 1.443 59.625 58.100 0.137 0.000 1.134 615 Y CB -0.401 38.134 38.460 0.125 0.000 0.965 615 Y HN 0.429 nan 8.280 nan 0.000 0.498 616 L N 0.166 121.338 121.223 -0.085 0.000 1.956 616 L HA -0.126 4.213 4.340 -0.000 0.000 0.216 616 L C 1.553 178.306 176.870 -0.194 0.000 1.073 616 L CA 2.628 57.303 54.840 -0.274 0.000 0.762 616 L CB -1.816 40.127 42.059 -0.192 0.000 0.889 616 L HN 0.617 nan 8.230 nan 0.000 0.433 617 G N -0.444 108.307 108.800 -0.081 0.000 2.470 617 G HA2 0.115 4.075 3.960 -0.000 0.000 0.286 617 G HA3 0.115 4.075 3.960 -0.000 0.000 0.286 617 G C 0.018 174.855 174.900 -0.104 0.000 1.115 617 G CA 0.687 45.756 45.100 -0.051 0.000 1.122 617 G HN 1.061 nan 8.290 nan 0.000 0.522 618 A N -0.279 122.481 122.820 -0.100 0.000 2.522 618 A HA 0.818 5.138 4.320 -0.000 0.000 0.291 618 A C -0.316 177.243 177.584 -0.041 0.000 1.039 618 A CA 0.109 52.102 52.037 -0.074 0.000 0.643 618 A CB 0.766 19.711 19.000 -0.092 0.000 1.310 618 A HN 0.936 nan 8.150 nan 0.000 0.436 619 K N -0.140 120.267 120.400 0.012 0.000 2.090 619 K HA 0.575 4.895 4.320 -0.000 0.000 0.249 619 K C -1.103 175.542 176.600 0.075 0.000 0.995 619 K CA -0.473 55.799 56.287 -0.026 0.000 0.914 619 K CB 0.514 32.907 32.500 -0.177 0.000 1.057 619 K HN 0.657 nan 8.250 nan 0.000 0.462 620 N N 0.342 119.075 118.700 0.054 0.000 2.461 620 N HA 0.399 5.139 4.740 -0.000 0.000 0.284 620 N C -1.733 173.823 175.510 0.076 0.000 1.049 620 N CA -0.514 52.658 53.050 0.202 0.000 0.889 620 N CB 2.151 40.811 38.487 0.288 0.000 1.365 620 N HN 0.618 nan 8.380 nan 0.000 0.499 621 A N 1.935 124.807 122.820 0.087 0.000 2.374 621 A HA 0.852 5.172 4.320 -0.000 0.000 0.317 621 A C -1.167 176.214 177.584 -0.337 0.000 1.094 621 A CA -0.590 51.408 52.037 -0.064 0.000 0.765 621 A CB 0.871 19.944 19.000 0.122 0.000 1.268 621 A HN 0.589 nan 8.150 nan 0.000 0.438 622 L N 2.314 123.323 121.223 -0.357 0.000 2.415 622 L HA 0.387 4.727 4.340 -0.000 0.000 0.268 622 L C -1.709 175.024 176.870 -0.230 0.000 0.984 622 L CA -0.486 54.103 54.840 -0.419 0.000 0.853 622 L CB 1.296 43.150 42.059 -0.342 0.000 1.215 622 L HN 0.684 nan 8.230 nan 0.000 0.419 623 Y N 1.188 121.479 120.300 -0.016 0.000 2.587 623 Y HA 0.271 4.820 4.550 -0.000 0.000 0.328 623 Y C 0.400 176.324 175.900 0.041 0.000 0.980 623 Y CA -2.013 56.079 58.100 -0.013 0.000 1.272 623 Y CB 0.334 38.769 38.460 -0.041 0.000 1.094 623 Y HN 0.510 nan 8.280 nan 0.000 0.503 624 N N 1.975 120.796 118.700 0.202 0.000 2.452 624 N HA 0.196 4.936 4.740 -0.000 0.000 0.266 624 N C -0.548 175.038 175.510 0.127 0.000 1.209 624 N CA 0.088 53.303 53.050 0.276 0.000 0.929 624 N CB 0.653 39.321 38.487 0.301 0.000 1.063 624 N HN 0.411 nan 8.380 nan 0.000 0.472 625 V N 5.424 125.375 119.914 0.061 0.000 3.214 625 V HA 0.241 4.361 4.120 -0.000 0.000 0.306 625 V C -1.253 174.826 176.094 -0.025 0.000 1.078 625 V CA -1.573 60.726 62.300 -0.003 0.000 1.077 625 V CB 1.269 33.060 31.823 -0.053 0.000 1.121 625 V HN 0.795 nan 8.190 nan 0.000 0.468 626 P HA 0.114 nan 4.420 nan 0.000 0.202 626 P C -0.514 176.750 177.300 -0.059 0.000 1.027 626 P CA 1.499 64.577 63.100 -0.038 0.000 0.791 626 P CB 0.180 31.860 31.700 -0.034 0.000 0.612 627 A N -3.270 119.514 122.820 -0.060 0.000 2.134 627 A HA 0.500 4.820 4.320 -0.000 0.000 0.229 627 A C 0.413 177.964 177.584 -0.055 0.000 2.614 627 A CA 0.272 52.268 52.037 -0.068 0.000 1.956 627 A CB -0.594 18.366 19.000 -0.067 0.000 0.478 627 A HN 0.470 nan 8.150 nan 0.000 0.878 628 G N -0.834 107.934 108.800 -0.053 0.000 3.953 628 G HA2 0.249 4.209 3.960 -0.000 0.000 0.175 628 G HA3 0.249 4.209 3.960 -0.000 0.000 0.175 628 G C 0.540 175.415 174.900 -0.043 0.000 0.875 628 G CA 0.660 45.734 45.100 -0.044 0.000 0.908 628 G HN 0.877 nan 8.290 nan 0.000 0.367 629 S N 1.191 116.866 115.700 -0.043 0.000 2.553 629 S HA 0.327 4.796 4.470 -0.000 0.000 0.293 629 S C 1.675 176.247 174.600 -0.047 0.000 1.296 629 S CA 1.207 59.383 58.200 -0.039 0.000 1.046 629 S CB 1.127 64.304 63.200 -0.038 0.000 0.810 629 S HN 0.766 nan 8.310 nan 0.000 0.505 630 T N 0.532 115.063 114.554 -0.037 0.000 3.085 630 T HA 0.237 4.587 4.350 -0.000 0.000 0.241 630 T C 0.797 175.478 174.700 -0.032 0.000 0.988 630 T CA -0.152 61.924 62.100 -0.040 0.000 1.117 630 T CB -0.458 68.393 68.868 -0.029 0.000 0.978 630 T HN 0.581 nan 8.240 nan 0.000 0.454 631 L N 0.240 121.453 121.223 -0.017 0.000 2.431 631 L HA 0.746 5.086 4.340 -0.000 0.000 0.260 631 L C -0.483 176.391 176.870 0.007 0.000 1.098 631 L CA -1.249 53.593 54.840 0.005 0.000 0.800 631 L CB 1.077 43.137 42.059 0.001 0.000 1.210 631 L HN 0.079 nan 8.230 nan 0.000 0.465 632 L N 2.164 123.415 121.223 0.047 0.000 2.563 632 L HA 0.348 4.688 4.340 -0.000 0.000 0.259 632 L C -0.772 176.124 176.870 0.044 0.000 1.034 632 L CA 0.069 54.920 54.840 0.018 0.000 0.899 632 L CB 1.167 43.205 42.059 -0.034 0.000 1.159 632 L HN 0.891 nan 8.230 nan 0.000 0.456 633 T N 5.652 120.207 114.554 0.002 0.000 2.799 633 T HA 0.398 4.748 4.350 -0.000 0.000 0.296 633 T C 0.655 175.312 174.700 -0.070 0.000 0.947 633 T CA 0.279 62.370 62.100 -0.016 0.000 1.141 633 T CB 0.178 69.028 68.868 -0.030 0.000 0.891 633 T HN 0.489 nan 8.240 nan 0.000 0.533 634 I N 2.755 123.280 120.570 -0.075 0.000 2.697 634 I HA 0.266 4.435 4.170 -0.000 0.000 0.279 634 I C 0.224 176.266 176.117 -0.125 0.000 1.171 634 I CA -1.133 60.059 61.300 -0.180 0.000 1.135 634 I CB 0.049 37.899 38.000 -0.250 0.000 1.445 634 I HN 0.431 nan 8.210 nan 0.000 0.541 635 N N 6.274 124.909 118.700 -0.108 0.000 2.416 635 N HA 0.154 4.894 4.740 -0.000 0.000 0.265 635 N C -0.293 175.184 175.510 -0.055 0.000 1.195 635 N CA 0.024 53.030 53.050 -0.074 0.000 0.943 635 N CB 0.713 39.166 38.487 -0.056 0.000 1.115 635 N HN 0.349 nan 8.380 nan 0.000 0.481 636 I N 3.329 123.886 120.570 -0.023 0.000 2.886 636 I HA 0.354 4.523 4.170 -0.000 0.000 0.299 636 I C -1.739 174.432 176.117 0.090 0.000 1.044 636 I CA -1.979 59.366 61.300 0.074 0.000 1.310 636 I CB 0.509 38.620 38.000 0.185 0.000 1.441 636 I HN 0.471 nan 8.210 nan 0.000 0.578 637 P HA 0.361 nan 4.420 nan 0.000 0.346 637 P C -1.059 176.375 177.300 0.224 0.000 1.306 637 P CA -0.360 62.826 63.100 0.143 0.000 0.778 637 P CB 0.515 32.285 31.700 0.117 0.000 1.710 638 A N -0.687 122.252 122.820 0.198 0.000 2.264 638 A HA 0.828 5.148 4.320 -0.000 0.000 0.304 638 A C 0.069 177.835 177.584 0.302 0.000 1.100 638 A CA 0.046 52.231 52.037 0.248 0.000 0.839 638 A CB 0.173 19.265 19.000 0.153 0.000 1.121 638 A HN 0.696 nan 8.150 nan 0.000 0.496 639 R N -1.310 119.424 120.500 0.389 0.000 3.309 639 R HA 0.202 4.542 4.340 -0.000 0.000 0.273 639 R C -1.607 174.880 176.300 0.313 0.000 0.905 639 R CA 0.104 56.340 56.100 0.227 0.000 0.799 639 R CB -0.353 29.940 30.300 -0.011 0.000 1.464 639 R HN 0.958 nan 8.270 nan 0.000 0.505 640 T N -1.132 113.396 114.554 -0.044 0.000 2.767 640 T HA 0.574 4.924 4.350 -0.000 0.000 0.284 640 T C -0.537 173.929 174.700 -0.390 0.000 0.973 640 T CA -0.470 61.644 62.100 0.022 0.000 0.996 640 T CB 0.671 69.533 68.868 -0.010 0.000 0.927 640 T HN 0.480 nan 8.240 nan 0.000 0.456 641 W N 1.980 123.242 121.300 -0.062 0.000 2.616 641 W HA 0.249 4.908 4.660 -0.000 0.000 0.419 641 W C 0.351 176.792 176.519 -0.131 0.000 0.835 641 W CA -0.949 56.282 57.345 -0.191 0.000 2.483 641 W CB 0.114 29.457 29.460 -0.195 0.000 1.289 641 W HN 0.656 nan 8.180 nan 0.000 0.755 642 E N 0.091 120.324 120.200 0.054 0.000 2.166 642 E HA 0.420 4.770 4.350 -0.000 0.000 0.279 642 E C 1.154 177.771 176.600 0.029 0.000 1.095 642 E CA 0.507 56.965 56.400 0.097 0.000 0.888 642 E CB 0.883 30.654 29.700 0.119 0.000 1.041 642 E HN 0.365 nan 8.360 nan 0.000 0.414 643 G N 3.299 112.121 108.800 0.038 0.000 2.307 643 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.210 643 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.210 643 G C 0.385 175.190 174.900 -0.158 0.000 1.005 643 G CA -0.121 44.957 45.100 -0.037 0.000 0.634 643 G HN 0.478 nan 8.290 nan 0.000 0.496 644 M N 1.880 121.371 119.600 -0.182 0.000 2.273 644 M HA 0.056 4.536 4.480 -0.000 0.000 0.424 644 M C 1.623 177.750 176.300 -0.288 0.000 1.461 644 M CA 0.828 55.945 55.300 -0.305 0.000 0.819 644 M CB 0.028 32.363 32.600 -0.442 0.000 2.023 644 M HN 0.521 nan 8.290 nan 0.000 0.510 645 R N 2.199 122.488 120.500 -0.351 0.000 2.046 645 R HA 0.262 4.602 4.340 -0.000 0.000 0.223 645 R C 1.168 177.212 176.300 -0.427 0.000 1.179 645 R CA 1.029 56.954 56.100 -0.292 0.000 0.952 645 R CB -0.010 30.122 30.300 -0.281 0.000 0.843 645 R HN 0.931 nan 8.270 nan 0.000 0.439 646 G N -1.612 106.762 108.800 -0.710 0.000 2.498 646 G HA2 0.147 4.107 3.960 -0.000 0.000 0.181 646 G HA3 0.147 4.107 3.960 -0.000 0.000 0.181 646 G C -1.799 172.250 174.900 -1.419 0.000 1.169 646 G CA -0.785 43.541 45.100 -1.290 0.000 0.992 646 G HN 0.129 nan 8.290 nan 0.000 0.490 647 W N 1.543 122.785 121.300 -0.098 0.000 2.554 647 W HA 0.663 5.323 4.660 -0.000 0.000 0.324 647 W C -0.659 175.858 176.519 -0.005 0.000 1.018 647 W CA -0.813 56.471 57.345 -0.102 0.000 1.243 647 W CB 1.761 31.160 29.460 -0.101 0.000 1.345 647 W HN 0.396 nan 8.180 nan 0.000 0.441 648 S N 3.886 119.596 115.700 0.016 0.000 2.449 648 S HA 0.753 5.223 4.470 -0.000 0.000 0.310 648 S C -0.952 173.590 174.600 -0.097 0.000 1.096 648 S CA -0.471 57.653 58.200 -0.125 0.000 1.095 648 S CB 0.869 63.914 63.200 -0.258 0.000 1.007 648 S HN 0.338 nan 8.310 nan 0.000 0.474 649 F N -0.588 119.224 119.950 -0.230 0.000 2.635 649 F HA 0.801 5.328 4.527 -0.000 0.000 0.314 649 F C -0.936 174.711 175.800 -0.254 0.000 1.119 649 F CA -0.503 57.342 58.000 -0.259 0.000 1.000 649 F CB 1.160 40.105 39.000 -0.091 0.000 1.278 649 F HN 0.359 nan 8.300 nan 0.000 0.446 650 T N 2.807 117.277 114.554 -0.140 0.000 2.923 650 T HA 0.416 4.766 4.350 -0.000 0.000 0.311 650 T C -0.931 173.957 174.700 0.314 0.000 1.183 650 T CA -0.766 61.318 62.100 -0.026 0.000 1.020 650 T CB 2.411 70.938 68.868 -0.568 0.000 1.165 650 T HN 0.902 nan 8.240 nan 0.000 0.482 651 R N 1.657 122.484 120.500 0.546 0.000 2.649 651 R HA 0.759 5.099 4.340 -0.000 0.000 0.270 651 R C -0.856 175.537 176.300 0.154 0.000 1.105 651 R CA -0.357 55.898 56.100 0.259 0.000 1.193 651 R CB 0.329 30.661 30.300 0.053 0.000 1.120 651 R HN 0.633 nan 8.270 nan 0.000 0.561 652 L N -1.469 119.811 121.223 0.096 0.000 2.592 652 L HA 0.484 4.824 4.340 -0.000 0.000 0.258 652 L C -0.811 176.059 176.870 0.000 0.000 0.926 652 L CA -1.334 53.548 54.840 0.071 0.000 0.885 652 L CB 1.641 43.822 42.059 0.204 0.000 1.380 652 L HN 0.486 nan 8.230 nan 0.000 0.415 653 K N 0.637 121.024 120.400 -0.022 0.000 2.256 653 K HA 0.217 4.537 4.320 -0.000 0.000 0.255 653 K C 0.990 177.391 176.600 -0.332 0.000 1.012 653 K CA 1.020 57.236 56.287 -0.120 0.000 0.841 653 K CB 0.394 32.873 32.500 -0.035 0.000 1.025 653 K HN 0.788 nan 8.250 nan 0.000 0.527 654 A N 0.183 122.696 122.820 -0.512 0.000 1.944 654 A HA -0.057 4.263 4.320 -0.000 0.000 0.209 654 A C 2.048 179.592 177.584 -0.067 0.000 1.328 654 A CA 0.980 52.469 52.037 -0.914 0.000 0.693 654 A CB -0.751 17.782 19.000 -0.779 0.000 0.994 654 A HN 0.681 nan 8.150 nan 0.000 0.485 655 S N 0.548 116.201 115.700 -0.078 0.000 2.399 655 S HA -0.125 4.345 4.470 -0.000 0.000 0.231 655 S C 1.110 175.760 174.600 0.083 0.000 1.022 655 S CA 1.370 59.591 58.200 0.035 0.000 0.983 655 S CB -0.416 62.739 63.200 -0.076 0.000 0.803 655 S HN 0.607 nan 8.310 nan 0.000 0.480 656 E N 1.303 121.468 120.200 -0.059 0.000 2.368 656 E HA 0.187 4.537 4.350 -0.000 0.000 0.188 656 E C -0.725 175.982 176.600 0.178 0.000 1.061 656 E CA -0.016 56.350 56.400 -0.055 0.000 0.933 656 E CB 0.243 29.865 29.700 -0.130 0.000 1.091 656 E HN 0.405 nan 8.360 nan 0.000 0.458 657 T N 1.091 115.741 114.554 0.161 0.000 3.041 657 T HA 0.321 4.671 4.350 -0.000 0.000 0.321 657 T C -2.780 171.819 174.700 -0.167 0.000 1.184 657 T CA -1.275 60.834 62.100 0.015 0.000 1.050 657 T CB 2.362 71.273 68.868 0.072 0.000 1.159 657 T HN -0.106 nan 8.240 nan 0.000 0.469 658 P HA 0.558 nan 4.420 nan 0.000 0.287 658 P C -1.398 175.641 177.300 -0.436 0.000 1.292 658 P CA -0.989 61.810 63.100 -0.502 0.000 0.879 658 P CB 0.830 32.117 31.700 -0.688 0.000 1.214 659 Q N 0.734 120.332 119.800 -0.336 0.000 2.431 659 Q HA 0.380 4.719 4.340 -0.000 0.000 0.249 659 Q C -0.200 175.682 176.000 -0.197 0.000 1.025 659 Q CA -0.374 55.250 55.803 -0.298 0.000 0.835 659 Q CB 0.474 29.063 28.738 -0.248 0.000 1.207 659 Q HN 0.470 nan 8.270 nan 0.000 0.490 660 L N 1.157 122.281 121.223 -0.165 0.000 2.514 660 L HA 0.270 4.610 4.340 -0.000 0.000 0.280 660 L C 1.097 177.940 176.870 -0.045 0.000 1.223 660 L CA 0.781 55.582 54.840 -0.065 0.000 0.864 660 L CB 0.281 42.337 42.059 -0.006 0.000 1.118 660 L HN 0.899 nan 8.230 nan 0.000 0.494 661 G N 1.426 110.227 108.800 0.002 0.000 2.201 661 G HA2 0.214 4.174 3.960 -0.000 0.000 0.102 661 G HA3 0.214 4.174 3.960 -0.000 0.000 0.102 661 G C -0.595 174.319 174.900 0.024 0.000 0.833 661 G CA 0.188 45.284 45.100 -0.006 0.000 1.207 661 G HN 0.815 nan 8.290 nan 0.000 0.435 662 A N 0.609 123.440 122.820 0.018 0.000 2.296 662 A HA 0.549 4.869 4.320 -0.000 0.000 0.264 662 A C 1.663 179.359 177.584 0.187 0.000 1.097 662 A CA 1.065 53.132 52.037 0.050 0.000 0.811 662 A CB 0.061 19.073 19.000 0.020 0.000 1.072 662 A HN 0.880 nan 8.150 nan 0.000 0.495 663 Q N -0.852 119.085 119.800 0.227 0.000 2.165 663 Q HA -0.262 4.078 4.340 -0.000 0.000 0.215 663 Q C 0.544 176.927 176.000 0.638 0.000 1.010 663 Q CA 2.374 58.456 55.803 0.466 0.000 0.896 663 Q CB -0.904 28.033 28.738 0.331 0.000 0.956 663 Q HN 0.914 nan 8.270 nan 0.000 0.413 664 Y N -1.548 118.861 120.300 0.182 0.000 3.141 664 Y HA 0.695 5.245 4.550 -0.000 0.000 0.290 664 Y C -1.745 174.205 175.900 0.083 0.000 1.817 664 Y CA -1.924 56.251 58.100 0.125 0.000 1.067 664 Y CB 0.826 39.352 38.460 0.110 0.000 1.645 664 Y HN -0.066 nan 8.280 nan 0.000 0.470 665 D N -0.222 120.029 120.400 -0.249 0.000 2.362 665 D HA 0.106 4.746 4.640 -0.000 0.000 0.228 665 D C -1.469 174.754 176.300 -0.129 0.000 1.326 665 D CA -0.301 53.504 54.000 -0.324 0.000 0.927 665 D CB 1.082 41.812 40.800 -0.116 0.000 1.501 665 D HN 0.707 nan 8.370 nan 0.000 0.519 666 V N 3.929 123.700 119.914 -0.238 0.000 1.995 666 V HA 0.428 4.548 4.120 -0.000 0.000 0.247 666 V C 1.025 177.144 176.094 0.041 0.000 1.793 666 V CA 2.034 64.360 62.300 0.043 0.000 1.703 666 V CB -0.719 31.160 31.823 0.095 0.000 1.537 666 V HN 0.713 nan 8.190 nan 0.000 0.487 667 G N 2.930 111.781 108.800 0.084 0.000 2.540 667 G HA2 0.038 3.998 3.960 -0.000 0.000 0.163 667 G HA3 0.038 3.998 3.960 -0.000 0.000 0.163 667 G C 0.007 175.018 174.900 0.185 0.000 1.501 667 G CA -0.230 44.927 45.100 0.095 0.000 0.715 667 G HN 0.427 nan 8.290 nan 0.000 1.086 668 F N 2.905 122.878 119.950 0.038 0.000 2.502 668 F HA 0.560 5.087 4.527 -0.000 0.000 0.371 668 F C 0.415 176.267 175.800 0.087 0.000 1.083 668 F CA -0.667 57.377 58.000 0.072 0.000 1.174 668 F CB 0.885 39.934 39.000 0.082 0.000 1.096 668 F HN -0.161 nan 8.300 nan 0.000 0.545 669 K N 6.944 127.220 120.400 -0.206 0.000 3.022 669 K HA 0.151 4.471 4.320 -0.000 0.000 0.178 669 K C -1.729 174.692 176.600 -0.298 0.000 1.089 669 K CA -0.381 55.776 56.287 -0.218 0.000 0.916 669 K CB 0.757 33.208 32.500 -0.080 0.000 1.159 669 K HN 0.557 nan 8.250 nan 0.000 0.592 670 Y N -1.105 118.661 120.300 -0.889 0.000 2.441 670 Y HA 0.205 4.755 4.550 -0.000 0.000 0.334 670 Y C -0.211 175.386 175.900 -0.505 0.000 1.061 670 Y CA -0.696 57.010 58.100 -0.658 0.000 1.032 670 Y CB 1.928 40.019 38.460 -0.615 0.000 1.266 670 Y HN 0.052 nan 8.280 nan 0.000 0.441 671 S N 3.031 118.286 115.700 -0.742 0.000 2.554 671 S HA 0.265 4.735 4.470 -0.000 0.000 0.226 671 S C 0.815 175.007 174.600 -0.681 0.000 0.980 671 S CA 0.161 58.025 58.200 -0.559 0.000 0.939 671 S CB 0.338 63.374 63.200 -0.274 0.000 0.832 671 S HN 0.973 nan 8.310 nan 0.000 0.486 672 G N 2.257 110.150 108.800 -1.511 0.000 2.735 672 G HA2 0.396 4.355 3.960 -0.000 0.000 0.192 672 G HA3 0.396 4.355 3.960 -0.000 0.000 0.192 672 G C 0.049 174.805 174.900 -0.241 0.000 1.547 672 G CA -0.188 44.476 45.100 -0.726 0.000 1.080 672 G HN 0.476 nan 8.290 nan 0.000 0.569 673 S N -0.848 115.008 115.700 0.259 0.000 2.638 673 S HA 0.617 5.087 4.470 -0.000 0.000 0.298 673 S C -0.465 174.348 174.600 0.355 0.000 1.111 673 S CA -0.740 57.615 58.200 0.258 0.000 1.027 673 S CB 1.816 65.126 63.200 0.182 0.000 1.064 673 S HN 0.371 nan 8.310 nan 0.000 0.525 674 I N 1.654 122.349 120.570 0.208 0.000 2.503 674 I HA 0.334 4.503 4.170 -0.000 0.000 0.277 674 I C -2.395 173.737 176.117 0.025 0.000 1.078 674 I CA -2.681 58.727 61.300 0.179 0.000 1.184 674 I CB -0.057 38.049 38.000 0.178 0.000 1.353 674 I HN 0.392 nan 8.210 nan 0.000 0.490 675 P HA -0.193 nan 4.420 nan 0.000 0.223 675 P C 1.266 178.377 177.300 -0.315 0.000 1.144 675 P CA 1.147 63.995 63.100 -0.419 0.000 0.783 675 P CB -0.067 31.367 31.700 -0.443 0.000 0.771 676 Y N -0.133 120.108 120.300 -0.099 0.000 2.477 676 Y HA 0.120 4.670 4.550 -0.000 0.000 0.303 676 Y C 0.129 175.954 175.900 -0.125 0.000 1.202 676 Y CA 0.486 58.527 58.100 -0.098 0.000 1.282 676 Y CB -0.131 38.204 38.460 -0.208 0.000 1.071 676 Y HN -0.137 nan 8.280 nan 0.000 0.510 677 S N -0.392 115.216 115.700 -0.153 0.000 2.967 677 S HA 0.121 4.591 4.470 -0.000 0.000 0.236 677 S C -0.267 174.285 174.600 -0.080 0.000 0.804 677 S CA 0.103 58.224 58.200 -0.131 0.000 1.223 677 S CB -0.024 63.164 63.200 -0.019 0.000 1.268 677 S HN 0.617 nan 8.310 nan 0.000 0.573 678 D N -0.894 119.410 120.400 -0.160 0.000 2.456 678 D HA 0.167 4.807 4.640 -0.000 0.000 0.530 678 D C 0.991 177.144 176.300 -0.246 0.000 1.034 678 D CA 0.379 54.307 54.000 -0.121 0.000 1.092 678 D CB -0.994 39.757 40.800 -0.082 0.000 1.552 678 D HN 0.402 nan 8.370 nan 0.000 0.388 679 G N 1.023 109.450 108.800 -0.621 0.000 2.225 679 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.267 679 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.267 679 G C 0.806 175.114 174.900 -0.987 0.000 1.024 679 G CA 0.994 45.298 45.100 -1.327 0.000 0.784 679 G HN 1.037 nan 8.290 nan 0.000 0.507 680 T N -1.243 112.776 114.554 -0.892 0.000 3.609 680 T HA 0.460 4.810 4.350 -0.000 0.000 0.245 680 T C 0.767 175.091 174.700 -0.626 0.000 0.980 680 T CA -0.433 60.892 62.100 -1.291 0.000 0.940 680 T CB -0.634 67.148 68.868 -1.810 0.000 1.105 680 T HN 0.314 nan 8.240 nan 0.000 0.627 681 F N 2.699 122.604 119.950 -0.075 0.000 2.629 681 F HA 0.257 4.784 4.527 -0.000 0.000 0.369 681 F C 1.134 177.011 175.800 0.129 0.000 1.125 681 F CA -0.622 57.336 58.000 -0.070 0.000 1.330 681 F CB -0.049 38.955 39.000 0.007 0.000 1.071 681 F HN 0.451 nan 8.300 nan 0.000 0.595 682 Y N -0.264 120.258 120.300 0.371 0.000 2.673 682 Y HA 0.358 4.908 4.550 -0.000 0.000 0.289 682 Y C -0.329 175.759 175.900 0.314 0.000 0.975 682 Y CA -0.488 57.804 58.100 0.321 0.000 1.163 682 Y CB -0.105 38.519 38.460 0.273 0.000 1.425 682 Y HN 0.340 nan 8.280 nan 0.000 0.588 683 L N 2.293 123.444 121.223 -0.120 0.000 2.603 683 L HA 0.528 4.868 4.340 -0.000 0.000 0.242 683 L C -0.128 176.830 176.870 0.147 0.000 1.169 683 L CA 0.289 55.148 54.840 0.032 0.000 1.029 683 L CB 0.318 42.291 42.059 -0.144 0.000 1.361 683 L HN 0.453 nan 8.230 nan 0.000 0.439 684 S N -0.874 115.001 115.700 0.292 0.000 2.784 684 S HA 0.058 4.528 4.470 -0.000 0.000 0.266 684 S C 1.268 176.375 174.600 0.845 0.000 1.079 684 S CA -0.154 58.339 58.200 0.489 0.000 0.989 684 S CB 0.221 63.447 63.200 0.044 0.000 0.926 684 S HN 0.725 nan 8.310 nan 0.000 0.497 685 H N 2.073 121.467 119.070 0.540 0.000 2.566 685 H HA 0.222 4.778 4.556 -0.000 0.000 0.280 685 H C 0.997 176.644 175.328 0.531 0.000 1.042 685 H CA 1.095 57.537 56.048 0.657 0.000 1.168 685 H CB -0.942 28.928 29.762 0.180 0.000 1.340 685 H HN 0.404 nan 8.280 nan 0.000 0.597 686 T N -2.802 111.733 114.554 -0.030 0.000 3.122 686 T HA 0.162 4.512 4.350 -0.000 0.000 0.250 686 T C 0.168 174.867 174.700 -0.002 0.000 1.067 686 T CA -0.574 61.456 62.100 -0.117 0.000 0.966 686 T CB -0.602 68.151 68.868 -0.192 0.000 1.002 686 T HN 0.010 nan 8.240 nan 0.000 0.542 687 F N 1.632 121.604 119.950 0.038 0.000 2.382 687 F HA 0.575 5.102 4.527 -0.000 0.000 0.331 687 F C 1.617 177.344 175.800 -0.122 0.000 1.121 687 F CA -0.995 56.994 58.000 -0.018 0.000 1.183 687 F CB 0.995 39.954 39.000 -0.069 0.000 1.207 687 F HN -0.172 nan 8.300 nan 0.000 0.555 688 R N 0.386 120.917 120.500 0.053 0.000 1.792 688 R HA 0.302 4.642 4.340 -0.000 0.000 0.139 688 R C 0.196 176.431 176.300 -0.109 0.000 2.091 688 R CA 0.045 56.120 56.100 -0.042 0.000 1.697 688 R CB -0.455 29.828 30.300 -0.029 0.000 1.340 688 R HN 0.566 nan 8.270 nan 0.000 0.481 689 S N -0.097 115.545 115.700 -0.097 0.000 2.767 689 S HA 0.641 5.111 4.470 -0.000 0.000 0.300 689 S C -0.482 173.921 174.600 -0.328 0.000 1.123 689 S CA -0.530 57.579 58.200 -0.151 0.000 0.992 689 S CB 0.904 64.047 63.200 -0.095 0.000 1.138 689 S HN 0.304 nan 8.310 nan 0.000 0.550 690 M N 2.934 122.294 119.600 -0.401 0.000 3.044 690 M HA 0.277 4.757 4.480 -0.000 0.000 0.344 690 M C -1.337 174.609 176.300 -0.589 0.000 1.524 690 M CA -0.206 54.597 55.300 -0.828 0.000 0.682 690 M CB 0.437 32.426 32.600 -1.018 0.000 2.220 690 M HN 0.497 nan 8.290 nan 0.000 0.421 691 S N 1.463 116.911 115.700 -0.420 0.000 2.533 691 S HA 0.355 4.825 4.470 -0.000 0.000 0.282 691 S C -0.109 174.290 174.600 -0.335 0.000 1.304 691 S CA -0.337 57.702 58.200 -0.268 0.000 1.063 691 S CB 1.084 64.187 63.200 -0.161 0.000 0.881 691 S HN 0.494 nan 8.310 nan 0.000 0.493 692 V N 5.581 125.322 119.914 -0.288 0.000 2.334 692 V HA 0.359 4.479 4.120 -0.000 0.000 0.281 692 V C -0.511 175.462 176.094 -0.202 0.000 1.016 692 V CA -0.488 61.595 62.300 -0.361 0.000 0.832 692 V CB 0.718 32.285 31.823 -0.427 0.000 0.999 692 V HN 0.698 nan 8.190 nan 0.000 0.439 693 L N 5.814 126.882 121.223 -0.258 0.000 2.318 693 L HA 0.550 4.890 4.340 -0.000 0.000 0.277 693 L C -0.669 176.081 176.870 -0.200 0.000 1.008 693 L CA -0.130 54.623 54.840 -0.145 0.000 0.846 693 L CB 1.185 43.184 42.059 -0.101 0.000 1.220 693 L HN 0.401 nan 8.230 nan 0.000 0.423 694 F N 2.314 122.201 119.950 -0.105 0.000 2.411 694 F HA 0.193 4.720 4.527 -0.000 0.000 0.355 694 F C 0.641 176.401 175.800 -0.067 0.000 1.117 694 F CA 0.034 57.941 58.000 -0.155 0.000 1.139 694 F CB 0.929 39.826 39.000 -0.172 0.000 1.120 694 F HN 0.600 nan 8.300 nan 0.000 0.493 695 D N 1.432 121.931 120.400 0.165 0.000 2.983 695 D HA -0.254 4.386 4.640 -0.000 0.000 0.225 695 D C 0.879 177.236 176.300 0.094 0.000 1.174 695 D CA 1.478 55.571 54.000 0.155 0.000 0.831 695 D CB -1.658 39.279 40.800 0.229 0.000 1.104 695 D HN 0.773 nan 8.370 nan 0.000 0.421 696 T N -3.671 110.916 114.554 0.056 0.000 8.413 696 T HA -0.351 3.998 4.350 -0.000 0.000 0.334 696 T C 1.297 176.023 174.700 0.042 0.000 1.928 696 T CA 2.207 64.327 62.100 0.033 0.000 2.815 696 T CB -1.712 67.171 68.868 0.026 0.000 2.611 696 T HN 0.670 nan 8.240 nan 0.000 1.239 697 S N -0.743 114.995 115.700 0.063 0.000 2.575 697 S HA 0.446 4.916 4.470 -0.000 0.000 0.230 697 S C 0.410 175.049 174.600 0.064 0.000 1.062 697 S CA -0.473 57.761 58.200 0.057 0.000 0.913 697 S CB 0.630 63.865 63.200 0.058 0.000 0.837 697 S HN 0.457 nan 8.310 nan 0.000 0.487 698 I N 3.048 123.673 120.570 0.091 0.000 2.530 698 I HA 0.537 4.707 4.170 -0.000 0.000 0.297 698 I C -0.516 175.694 176.117 0.155 0.000 1.011 698 I CA -0.865 60.499 61.300 0.106 0.000 1.107 698 I CB 1.421 39.481 38.000 0.100 0.000 1.285 698 I HN 0.274 nan 8.210 nan 0.000 0.436 699 N N 3.872 122.662 118.700 0.149 0.000 2.370 699 N HA 0.290 5.030 4.740 -0.000 0.000 0.303 699 N C -1.886 173.796 175.510 0.288 0.000 1.103 699 N CA -0.351 52.810 53.050 0.185 0.000 0.848 699 N CB 2.316 40.861 38.487 0.097 0.000 1.235 699 N HN 0.609 nan 8.380 nan 0.000 0.496 700 W N 4.647 126.050 121.300 0.173 0.000 2.532 700 W HA 0.508 5.168 4.660 -0.000 0.000 0.321 700 W C -2.018 174.644 176.519 0.238 0.000 1.037 700 W CA -1.883 55.603 57.345 0.236 0.000 1.220 700 W CB 1.893 31.598 29.460 0.408 0.000 1.361 700 W HN 0.533 nan 8.180 nan 0.000 0.468 701 P HA 0.127 nan 4.420 nan 0.000 0.234 701 P C 1.125 178.278 177.300 -0.244 0.000 1.175 701 P CA 1.694 64.369 63.100 -0.708 0.000 0.801 701 P CB 0.685 31.882 31.700 -0.838 0.000 0.891 702 G N 0.582 109.301 108.800 -0.134 0.000 5.059 702 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.336 702 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.336 702 G C 0.430 175.264 174.900 -0.110 0.000 1.364 702 G CA 0.300 45.351 45.100 -0.081 0.000 1.020 702 G HN 0.366 nan 8.290 nan 0.000 0.807 703 N N 3.747 122.387 118.700 -0.099 0.000 2.449 703 N HA -0.062 4.678 4.740 -0.000 0.000 0.269 703 N C -0.193 175.245 175.510 -0.119 0.000 1.207 703 N CA 0.922 53.916 53.050 -0.095 0.000 1.089 703 N CB -0.761 37.670 38.487 -0.093 0.000 1.292 703 N HN 0.797 nan 8.380 nan 0.000 0.533 704 D N 0.316 120.651 120.400 -0.110 0.000 3.421 704 D HA -0.244 4.396 4.640 -0.000 0.000 0.191 704 D C 0.879 177.081 176.300 -0.164 0.000 1.267 704 D CA 0.758 54.683 54.000 -0.125 0.000 0.702 704 D CB -0.219 40.526 40.800 -0.092 0.000 0.925 704 D HN 0.637 nan 8.370 nan 0.000 0.424 705 R N 0.131 120.496 120.500 -0.225 0.000 2.087 705 R HA 0.215 4.555 4.340 -0.000 0.000 0.213 705 R C 1.205 177.295 176.300 -0.351 0.000 1.137 705 R CA -0.053 55.871 56.100 -0.292 0.000 1.022 705 R CB 0.216 30.300 30.300 -0.360 0.000 0.920 705 R HN 0.221 nan 8.270 nan 0.000 0.451 706 L N 1.980 122.966 121.223 -0.394 0.000 2.379 706 L HA 0.236 4.575 4.340 -0.000 0.000 0.269 706 L C 1.307 177.974 176.870 -0.338 0.000 1.084 706 L CA -0.418 54.176 54.840 -0.410 0.000 0.802 706 L CB 1.054 42.826 42.059 -0.478 0.000 1.175 706 L HN 0.105 nan 8.230 nan 0.000 0.448 707 L N 1.476 122.454 121.223 -0.408 0.000 2.721 707 L HA -0.056 4.284 4.340 -0.000 0.000 0.241 707 L C 0.128 176.768 176.870 -0.384 0.000 1.168 707 L CA 0.662 55.215 54.840 -0.479 0.000 0.866 707 L CB -0.680 40.787 42.059 -0.986 0.000 0.996 707 L HN 0.805 nan 8.230 nan 0.000 0.451 708 T N -4.776 109.603 114.554 -0.293 0.000 3.867 708 T HA 0.183 4.533 4.350 -0.000 0.000 0.308 708 T C -2.482 172.111 174.700 -0.177 0.000 0.716 708 T CA -0.819 61.174 62.100 -0.177 0.000 1.031 708 T CB 1.321 70.109 68.868 -0.133 0.000 1.062 708 T HN -0.186 nan 8.240 nan 0.000 0.482 709 P HA 0.244 nan 4.420 nan 0.000 0.268 709 P C 0.117 177.385 177.300 -0.053 0.000 1.329 709 P CA -0.141 62.859 63.100 -0.165 0.000 0.899 709 P CB 0.023 31.611 31.700 -0.186 0.000 1.378 710 N N 0.921 119.606 118.700 -0.025 0.000 2.383 710 N HA 0.193 4.933 4.740 -0.000 0.000 0.192 710 N C -0.145 175.382 175.510 0.029 0.000 1.141 710 N CA 0.327 53.379 53.050 0.003 0.000 0.851 710 N CB -0.269 38.213 38.487 -0.009 0.000 0.976 710 N HN 0.169 nan 8.380 nan 0.000 0.465 711 L N -4.320 116.955 121.223 0.087 0.000 4.631 711 L HA 0.291 4.631 4.340 -0.000 0.000 0.251 711 L C -1.315 175.725 176.870 0.283 0.000 1.055 711 L CA -0.968 53.954 54.840 0.136 0.000 1.047 711 L CB -0.493 41.575 42.059 0.016 0.000 1.795 711 L HN -0.333 nan 8.230 nan 0.000 0.467 712 F N 1.376 121.342 119.950 0.026 0.000 2.563 712 F HA 0.424 4.951 4.527 -0.000 0.000 0.363 712 F C 1.314 177.223 175.800 0.182 0.000 1.123 712 F CA -0.077 58.020 58.000 0.163 0.000 1.307 712 F CB 0.360 39.552 39.000 0.321 0.000 1.115 712 F HN 0.572 nan 8.300 nan 0.000 0.592 713 E N 3.465 123.859 120.200 0.323 0.000 2.283 713 E HA 0.352 4.702 4.350 -0.000 0.000 0.271 713 E C 0.473 177.144 176.600 0.118 0.000 1.031 713 E CA -0.279 56.210 56.400 0.148 0.000 0.868 713 E CB 2.041 31.791 29.700 0.083 0.000 1.094 713 E HN 0.577 nan 8.360 nan 0.000 0.401 714 I N 0.017 120.496 120.570 -0.153 0.000 4.456 714 I HA 0.045 4.215 4.170 -0.000 0.000 0.329 714 I C 0.161 176.121 176.117 -0.262 0.000 1.313 714 I CA 0.147 61.185 61.300 -0.436 0.000 1.205 714 I CB 0.443 37.916 38.000 -0.880 0.000 1.179 714 I HN 0.428 nan 8.210 nan 0.000 0.419 715 K N 1.466 121.790 120.400 -0.127 0.000 2.685 715 K HA 0.541 4.861 4.320 -0.000 0.000 0.290 715 K C -1.192 175.406 176.600 -0.003 0.000 1.018 715 K CA -1.086 55.153 56.287 -0.080 0.000 0.860 715 K CB 1.116 33.548 32.500 -0.114 0.000 1.498 715 K HN -0.115 nan 8.250 nan 0.000 0.390 716 R N 0.076 120.592 120.500 0.026 0.000 2.295 716 R HA 0.419 4.759 4.340 -0.000 0.000 0.324 716 R C -2.502 173.833 176.300 0.059 0.000 0.968 716 R CA -1.525 54.606 56.100 0.052 0.000 0.837 716 R CB 0.318 30.659 30.300 0.068 0.000 1.133 716 R HN 0.409 nan 8.270 nan 0.000 0.450 717 P HA -0.225 nan 4.420 nan 0.000 0.265 717 P C 1.179 178.529 177.300 0.085 0.000 1.151 717 P CA 0.474 63.611 63.100 0.061 0.000 0.755 717 P CB 0.224 31.954 31.700 0.050 0.000 0.756 718 V N 1.698 121.673 119.914 0.103 0.000 2.238 718 V HA -0.334 3.786 4.120 -0.000 0.000 0.253 718 V C 1.272 177.453 176.094 0.146 0.000 1.050 718 V CA 1.859 64.248 62.300 0.147 0.000 1.045 718 V CB -2.302 29.614 31.823 0.154 0.000 0.670 718 V HN 0.786 nan 8.190 nan 0.000 0.469 719 A N 1.236 124.129 122.820 0.122 0.000 2.561 719 A HA 0.311 4.631 4.320 -0.000 0.000 0.251 719 A C 0.669 178.294 177.584 0.068 0.000 1.062 719 A CA 0.816 52.909 52.037 0.092 0.000 0.761 719 A CB -0.999 18.044 19.000 0.072 0.000 0.986 719 A HN 0.736 nan 8.150 nan 0.000 0.510 720 T N 3.401 117.986 114.554 0.053 0.000 2.822 720 T HA 0.114 4.464 4.350 -0.000 0.000 0.288 720 T C 0.370 175.084 174.700 0.024 0.000 0.991 720 T CA 0.884 63.008 62.100 0.039 0.000 1.176 720 T CB 0.068 68.948 68.868 0.021 0.000 0.951 720 T HN 0.735 nan 8.240 nan 0.000 0.526 721 D N 1.571 121.987 120.400 0.026 0.000 2.559 721 D HA 0.062 4.702 4.640 -0.000 0.000 0.296 721 D C 1.118 177.419 176.300 0.001 0.000 1.118 721 D CA -0.088 53.920 54.000 0.014 0.000 0.967 721 D CB 0.138 40.953 40.800 0.026 0.000 1.607 721 D HN 0.421 nan 8.370 nan 0.000 0.493 722 S N 1.050 116.762 115.700 0.020 0.000 2.519 722 S HA 0.055 4.524 4.470 -0.000 0.000 0.245 722 S C 1.115 175.719 174.600 0.007 0.000 1.152 722 S CA -0.166 58.043 58.200 0.016 0.000 1.175 722 S CB 0.249 63.500 63.200 0.085 0.000 0.829 722 S HN 0.091 nan 8.310 nan 0.000 0.472 723 E N 1.273 121.464 120.200 -0.015 0.000 2.267 723 E HA -0.078 4.272 4.350 -0.000 0.000 0.197 723 E C 1.806 178.376 176.600 -0.049 0.000 0.998 723 E CA 1.774 58.167 56.400 -0.011 0.000 0.830 723 E CB -0.625 29.063 29.700 -0.020 0.000 0.751 723 E HN 0.551 nan 8.360 nan 0.000 0.491 724 G N -0.584 108.135 108.800 -0.134 0.000 2.404 724 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.215 724 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.215 724 G C 0.707 175.443 174.900 -0.273 0.000 1.174 724 G CA 0.642 45.567 45.100 -0.292 0.000 0.780 724 G HN 0.308 nan 8.290 nan 0.000 0.537 725 F N 2.009 121.965 119.950 0.010 0.000 2.750 725 F HA 0.241 4.768 4.527 -0.000 0.000 0.297 725 F C 2.041 177.860 175.800 0.032 0.000 1.138 725 F CA -0.600 57.409 58.000 0.015 0.000 1.346 725 F CB -0.516 38.492 39.000 0.013 0.000 0.965 725 F HN 0.100 nan 8.300 nan 0.000 0.514 726 T N -1.412 113.241 114.554 0.164 0.000 5.270 726 T HA 0.311 4.660 4.350 -0.000 0.000 0.226 726 T C 0.630 175.419 174.700 0.149 0.000 0.799 726 T CA 0.275 62.455 62.100 0.133 0.000 2.020 726 T CB 0.093 69.017 68.868 0.093 0.000 1.350 726 T HN 0.197 nan 8.240 nan 0.000 0.268 727 M N -1.572 118.101 119.600 0.122 0.000 3.032 727 M HA 0.139 4.619 4.480 -0.000 0.000 0.108 727 M C 0.661 177.052 176.300 0.151 0.000 0.517 727 M CA 1.244 56.607 55.300 0.104 0.000 1.112 727 M CB -0.996 31.663 32.600 0.098 0.000 0.831 727 M HN 1.580 nan 8.290 nan 0.000 0.589 728 S N 1.366 117.109 115.700 0.072 0.000 2.450 728 S HA -0.301 4.169 4.470 -0.000 0.000 0.248 728 S C 0.443 175.126 174.600 0.139 0.000 1.240 728 S CA 3.185 61.450 58.200 0.108 0.000 1.532 728 S CB -1.461 61.939 63.200 0.333 0.000 1.941 728 S HN 1.997 nan 8.310 nan 0.000 0.623 729 Q N -1.522 118.369 119.800 0.151 0.000 2.473 729 Q HA -0.128 4.212 4.340 -0.000 0.000 0.269 729 Q C -0.083 176.060 176.000 0.239 0.000 0.865 729 Q CA 0.675 56.571 55.803 0.155 0.000 1.115 729 Q CB -2.567 26.244 28.738 0.121 0.000 1.248 729 Q HN 1.349 nan 8.270 nan 0.000 0.647 730 C N -3.744 115.723 119.300 0.278 0.000 3.291 730 C HA 0.573 5.033 4.460 -0.000 0.000 0.316 730 C C 1.060 176.168 174.990 0.196 0.000 1.391 730 C CA -0.197 59.026 59.018 0.341 0.000 1.394 730 C CB 1.454 29.534 27.740 0.567 0.000 1.744 730 C HN 0.329 nan 8.230 nan 0.000 0.461 731 D N 0.705 121.153 120.400 0.079 0.000 2.350 731 D HA -0.022 4.618 4.640 -0.000 0.000 0.216 731 D C 0.852 177.088 176.300 -0.107 0.000 0.968 731 D CA 0.692 54.671 54.000 -0.035 0.000 0.894 731 D CB -0.228 40.523 40.800 -0.080 0.000 0.909 731 D HN 0.571 nan 8.370 nan 0.000 0.520 732 M N 1.523 121.048 119.600 -0.124 0.000 2.250 732 M HA 0.037 4.517 4.480 -0.000 0.000 0.337 732 M C 0.435 176.844 176.300 0.181 0.000 1.161 732 M CA 0.430 55.756 55.300 0.042 0.000 1.088 732 M CB 0.453 33.265 32.600 0.353 0.000 1.639 732 M HN 0.057 nan 8.290 nan 0.000 0.447 733 T N -0.059 114.624 114.554 0.215 0.000 2.889 733 T HA 0.268 4.618 4.350 -0.000 0.000 0.291 733 T C 0.744 175.590 174.700 0.244 0.000 0.995 733 T CA -0.934 61.294 62.100 0.213 0.000 1.092 733 T CB 1.104 70.075 68.868 0.172 0.000 0.954 733 T HN 0.609 nan 8.240 nan 0.000 0.506 734 K N 0.930 121.435 120.400 0.175 0.000 2.520 734 K HA -0.122 4.197 4.320 -0.000 0.000 0.197 734 K C 1.242 177.888 176.600 0.077 0.000 1.044 734 K CA 1.018 57.372 56.287 0.111 0.000 0.938 734 K CB 0.011 32.557 32.500 0.076 0.000 0.767 734 K HN 0.588 nan 8.250 nan 0.000 0.481 735 D N -0.392 120.044 120.400 0.060 0.000 2.214 735 D HA -0.107 4.533 4.640 -0.000 0.000 0.217 735 D C 1.504 177.866 176.300 0.104 0.000 0.973 735 D CA 0.601 54.588 54.000 -0.021 0.000 0.880 735 D CB -0.063 40.674 40.800 -0.104 0.000 1.031 735 D HN 0.280 nan 8.370 nan 0.000 0.468 736 W N 1.321 122.690 121.300 0.115 0.000 2.381 736 W HA -0.160 4.499 4.660 -0.000 0.000 0.301 736 W C 2.051 178.748 176.519 0.297 0.000 1.205 736 W CA 0.525 57.983 57.345 0.188 0.000 1.285 736 W CB -0.709 28.812 29.460 0.103 0.000 1.133 736 W HN -0.081 nan 8.180 nan 0.000 0.521 737 F N 1.547 121.746 119.950 0.415 0.000 2.147 737 F HA -0.242 4.285 4.527 -0.000 0.000 0.301 737 F C 0.870 176.817 175.800 0.245 0.000 1.084 737 F CA 1.308 59.585 58.000 0.463 0.000 1.268 737 F CB -0.447 38.797 39.000 0.408 0.000 1.009 737 F HN -0.360 nan 8.300 nan 0.000 0.486 738 L N 1.234 122.735 121.223 0.462 0.000 2.391 738 L HA 0.139 4.479 4.340 -0.000 0.000 0.249 738 L C 0.104 177.071 176.870 0.162 0.000 1.308 738 L CA 0.146 55.141 54.840 0.258 0.000 1.209 738 L CB 0.184 42.290 42.059 0.078 0.000 1.401 738 L HN 0.148 nan 8.230 nan 0.000 0.416 739 V N -1.624 118.315 119.914 0.042 0.000 5.353 739 V HA -0.075 4.045 4.120 -0.000 0.000 0.117 739 V C 1.275 177.177 176.094 -0.320 0.000 1.209 739 V CA -0.375 61.890 62.300 -0.060 0.000 0.901 739 V CB -0.214 31.324 31.823 -0.475 0.000 1.095 739 V HN 0.338 nan 8.190 nan 0.000 0.674 740 Q N 0.151 119.639 119.800 -0.521 0.000 2.561 740 Q HA 0.059 4.399 4.340 -0.000 0.000 0.217 740 Q C 1.386 176.845 176.000 -0.901 0.000 0.980 740 Q CA 1.249 56.538 55.803 -0.857 0.000 0.927 740 Q CB -0.268 27.407 28.738 -1.771 0.000 0.980 740 Q HN 0.670 nan 8.270 nan 0.000 0.525 741 M N -1.763 117.574 119.600 -0.438 0.000 2.300 741 M HA 0.318 4.798 4.480 -0.000 0.000 0.313 741 M C 0.856 177.104 176.300 -0.088 0.000 0.988 741 M CA 0.097 55.304 55.300 -0.155 0.000 1.012 741 M CB 0.737 33.458 32.600 0.201 0.000 1.586 741 M HN 0.066 nan 8.290 nan 0.000 0.562 742 A N -1.328 121.428 122.820 -0.106 0.000 2.080 742 A HA 0.204 4.524 4.320 -0.000 0.000 0.211 742 A C 1.621 179.169 177.584 -0.060 0.000 1.708 742 A CA 0.823 52.857 52.037 -0.005 0.000 0.825 742 A CB -0.595 18.569 19.000 0.272 0.000 1.261 742 A HN 0.305 nan 8.150 nan 0.000 0.573 743 T N 1.272 115.746 114.554 -0.132 0.000 3.139 743 T HA -0.060 4.290 4.350 -0.000 0.000 0.267 743 T C 1.365 175.971 174.700 -0.156 0.000 1.164 743 T CA 1.083 63.108 62.100 -0.125 0.000 1.075 743 T CB -0.323 68.430 68.868 -0.193 0.000 0.904 743 T HN 0.367 nan 8.240 nan 0.000 0.540 744 N N 0.819 119.351 118.700 -0.281 0.000 2.333 744 N HA 0.066 4.806 4.740 -0.000 0.000 0.234 744 N C 0.497 175.809 175.510 -0.331 0.000 1.035 744 N CA 0.711 53.472 53.050 -0.481 0.000 1.171 744 N CB -0.036 37.824 38.487 -1.046 0.000 1.503 744 N HN 0.316 nan 8.380 nan 0.000 0.624 745 Y N 1.402 121.669 120.300 -0.054 0.000 2.583 745 Y HA 0.309 4.859 4.550 -0.000 0.000 0.294 745 Y C 0.227 175.848 175.900 -0.465 0.000 1.170 745 Y CA -0.690 57.285 58.100 -0.207 0.000 1.265 745 Y CB -0.953 37.535 38.460 0.047 0.000 1.119 745 Y HN 0.119 nan 8.280 nan 0.000 0.522 746 N N -1.018 117.597 118.700 -0.141 0.000 2.588 746 N HA -0.303 4.436 4.740 -0.000 0.000 0.245 746 N C -0.993 174.416 175.510 -0.168 0.000 1.211 746 N CA 1.038 54.008 53.050 -0.133 0.000 0.760 746 N CB -1.501 36.907 38.487 -0.132 0.000 1.160 746 N HN 0.404 nan 8.380 nan 0.000 0.569 747 Y N -1.185 118.956 120.300 -0.264 0.000 2.323 747 Y HA 0.513 5.063 4.550 -0.000 0.000 0.331 747 Y C 1.170 176.961 175.900 -0.181 0.000 1.092 747 Y CA -0.090 57.886 58.100 -0.208 0.000 1.150 747 Y CB 1.338 39.727 38.460 -0.119 0.000 1.200 747 Y HN -0.149 nan 8.280 nan 0.000 0.472 748 V N 3.209 123.074 119.914 -0.082 0.000 4.893 748 V HA -0.197 3.923 4.120 -0.000 0.000 0.161 748 V C -0.049 175.809 176.094 -0.395 0.000 1.396 748 V CA 0.229 62.278 62.300 -0.418 0.000 0.735 748 V CB -1.301 30.306 31.823 -0.361 0.000 0.815 748 V HN 0.630 nan 8.190 nan 0.000 0.625 749 Y N 4.574 124.791 120.300 -0.139 0.000 2.632 749 Y HA 0.314 4.864 4.550 -0.000 0.000 0.301 749 Y C 1.413 177.276 175.900 -0.062 0.000 1.172 749 Y CA 1.240 59.284 58.100 -0.093 0.000 1.328 749 Y CB 0.152 38.572 38.460 -0.067 0.000 1.016 749 Y HN 0.821 nan 8.280 nan 0.000 0.529 750 N N -1.729 117.012 118.700 0.069 0.000 2.425 750 N HA 0.199 4.939 4.740 -0.000 0.000 0.237 750 N C -0.345 175.216 175.510 0.085 0.000 1.406 750 N CA 0.538 53.633 53.050 0.074 0.000 1.198 750 N CB -0.046 38.489 38.487 0.080 0.000 1.331 750 N HN 0.094 nan 8.380 nan 0.000 0.550 751 G N 0.102 108.924 108.800 0.038 0.000 2.299 751 G HA2 0.345 4.305 3.960 -0.000 0.000 0.312 751 G HA3 0.345 4.305 3.960 -0.000 0.000 0.312 751 G C -2.264 172.606 174.900 -0.050 0.000 1.654 751 G CA -0.622 44.543 45.100 0.108 0.000 0.912 751 G HN 0.034 nan 8.290 nan 0.000 0.667 752 Y N 3.291 123.602 120.300 0.019 0.000 2.602 752 Y HA 0.380 4.930 4.550 -0.000 0.000 0.373 752 Y C 1.080 176.934 175.900 -0.078 0.000 0.960 752 Y CA -0.825 57.259 58.100 -0.027 0.000 1.281 752 Y CB 0.338 38.774 38.460 -0.040 0.000 1.308 752 Y HN 0.570 nan 8.280 nan 0.000 0.595 753 R N -0.655 119.751 120.500 -0.157 0.000 2.828 753 R HA 0.326 4.666 4.340 -0.000 0.000 0.264 753 R C -0.466 175.709 176.300 -0.209 0.000 1.022 753 R CA -0.983 55.020 56.100 -0.161 0.000 1.021 753 R CB 0.666 30.873 30.300 -0.156 0.000 1.163 753 R HN 0.408 nan 8.270 nan 0.000 0.494 754 F N 2.774 122.625 119.950 -0.166 0.000 2.651 754 F HA 0.047 4.574 4.527 -0.000 0.000 0.367 754 F C 0.488 176.182 175.800 -0.178 0.000 1.225 754 F CA -0.657 57.249 58.000 -0.157 0.000 1.310 754 F CB 0.062 38.949 39.000 -0.188 0.000 1.724 754 F HN 0.507 nan 8.300 nan 0.000 0.662 755 W N 7.592 128.894 121.300 0.004 0.000 2.651 755 W HA -0.172 4.488 4.660 -0.000 0.000 0.319 755 W C -1.986 174.561 176.519 0.047 0.000 0.877 755 W CA -1.286 56.316 57.345 0.428 0.000 1.000 755 W CB 0.324 30.170 29.460 0.644 0.000 1.049 755 W HN 0.290 nan 8.180 nan 0.000 0.534 756 P HA -0.217 nan 4.420 nan 0.000 0.259 756 P C 0.203 177.294 177.300 -0.349 0.000 1.163 756 P CA 1.077 64.041 63.100 -0.226 0.000 0.760 756 P CB 0.463 32.017 31.700 -0.244 0.000 0.762 757 D N 3.256 123.427 120.400 -0.383 0.000 2.369 757 D HA -0.207 4.433 4.640 -0.000 0.000 0.213 757 D C 1.718 177.946 176.300 -0.120 0.000 0.982 757 D CA 0.871 54.738 54.000 -0.222 0.000 0.931 757 D CB -0.044 40.691 40.800 -0.109 0.000 0.889 757 D HN 0.160 nan 8.370 nan 0.000 0.487 758 R N -0.492 119.879 120.500 -0.216 0.000 2.303 758 R HA -0.110 4.230 4.340 -0.000 0.000 0.225 758 R C 0.647 176.642 176.300 -0.508 0.000 1.114 758 R CA 0.847 56.782 56.100 -0.275 0.000 1.007 758 R CB -0.338 29.779 30.300 -0.305 0.000 0.861 758 R HN 0.473 nan 8.270 nan 0.000 0.471 759 H N -1.635 117.273 119.070 -0.268 0.000 2.512 759 H HA 0.177 4.733 4.556 -0.000 0.000 0.276 759 H C -0.762 174.491 175.328 -0.126 0.000 1.126 759 H CA -0.168 55.739 56.048 -0.234 0.000 1.060 759 H CB 0.324 30.021 29.762 -0.108 0.000 1.646 759 H HN -0.042 nan 8.280 nan 0.000 0.571 760 Y N 0.107 120.127 120.300 -0.467 0.000 2.628 760 Y HA 0.158 4.708 4.550 -0.000 0.000 0.354 760 Y C -0.235 175.533 175.900 -0.219 0.000 1.061 760 Y CA -1.082 56.875 58.100 -0.238 0.000 1.251 760 Y CB -0.449 37.979 38.460 -0.053 0.000 1.098 760 Y HN -0.097 nan 8.280 nan 0.000 0.626 761 F N -0.646 119.388 119.950 0.139 0.000 2.383 761 F HA 0.136 4.663 4.527 -0.000 0.000 0.241 761 F C 2.211 177.934 175.800 -0.128 0.000 1.184 761 F CA 0.587 58.592 58.000 0.007 0.000 0.992 761 F CB -0.431 38.576 39.000 0.012 0.000 1.036 761 F HN 0.324 nan 8.300 nan 0.000 0.605 762 H N -1.073 117.978 119.070 -0.031 0.000 2.283 762 H HA 0.077 4.633 4.556 -0.000 0.000 0.320 762 H C 1.367 176.433 175.328 -0.436 0.000 1.074 762 H CA 1.212 56.997 56.048 -0.438 0.000 1.476 762 H CB -0.710 28.398 29.762 -1.090 0.000 1.465 762 H HN 0.170 nan 8.280 nan 0.000 0.573 763 Y N 2.212 122.685 120.300 0.288 0.000 2.542 763 Y HA 0.019 4.569 4.550 -0.000 0.000 0.349 763 Y C 0.586 176.666 175.900 0.299 0.000 1.215 763 Y CA -0.113 58.159 58.100 0.287 0.000 1.253 763 Y CB -1.277 37.201 38.460 0.030 0.000 1.120 763 Y HN 0.193 nan 8.280 nan 0.000 0.487 764 D N -0.730 119.766 120.400 0.159 0.000 2.361 764 D HA -0.070 4.570 4.640 -0.000 0.000 0.239 764 D C 0.659 176.834 176.300 -0.208 0.000 1.200 764 D CA 0.024 54.051 54.000 0.045 0.000 0.915 764 D CB 0.528 41.361 40.800 0.055 0.000 1.170 764 D HN 0.121 nan 8.370 nan 0.000 0.444 765 F N 1.575 121.286 119.950 -0.399 0.000 2.622 765 F HA 0.180 4.707 4.527 -0.000 0.000 0.288 765 F C 1.252 176.986 175.800 -0.111 0.000 1.120 765 F CA 0.135 57.718 58.000 -0.694 0.000 1.423 765 F CB 0.125 38.776 39.000 -0.581 0.000 1.127 765 F HN 0.273 nan 8.300 nan 0.000 0.588 766 L N 0.333 121.503 121.223 -0.088 0.000 2.084 766 L HA -0.011 4.329 4.340 -0.000 0.000 0.202 766 L C 2.529 179.335 176.870 -0.108 0.000 1.074 766 L CA 1.501 56.209 54.840 -0.219 0.000 0.757 766 L CB -1.029 40.781 42.059 -0.416 0.000 0.918 766 L HN 0.125 nan 8.230 nan 0.000 0.444 767 R N 0.374 120.911 120.500 0.061 0.000 2.066 767 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 767 R C 1.891 178.241 176.300 0.083 0.000 1.131 767 R CA 1.314 57.504 56.100 0.150 0.000 0.955 767 R CB -0.339 30.076 30.300 0.191 0.000 0.851 767 R HN 0.272 nan 8.270 nan 0.000 0.432 768 N N -0.151 118.570 118.700 0.035 0.000 2.571 768 N HA -0.121 4.619 4.740 -0.000 0.000 0.189 768 N C -0.687 174.820 175.510 -0.005 0.000 1.154 768 N CA 0.191 53.261 53.050 0.034 0.000 0.907 768 N CB 0.051 38.571 38.487 0.053 0.000 0.977 768 N HN 0.143 nan 8.380 nan 0.000 0.449 769 F N 1.410 121.220 119.950 -0.233 0.000 2.438 769 F HA 0.088 4.615 4.527 -0.000 0.000 0.360 769 F C -0.210 175.524 175.800 -0.110 0.000 1.118 769 F CA -0.847 56.985 58.000 -0.280 0.000 1.164 769 F CB 0.492 39.184 39.000 -0.513 0.000 1.131 769 F HN -0.170 nan 8.300 nan 0.000 0.527 770 D N 8.983 129.577 120.400 0.324 0.000 2.492 770 D HA 0.363 5.003 4.640 -0.000 0.000 0.248 770 D C -2.906 173.590 176.300 0.325 0.000 1.101 770 D CA -2.283 51.881 54.000 0.273 0.000 0.840 770 D CB 2.272 43.121 40.800 0.082 0.000 1.209 770 D HN 0.152 nan 8.370 nan 0.000 0.524 771 P HA 0.317 nan 4.420 nan 0.000 0.300 771 P C -0.714 176.792 177.300 0.343 0.000 1.375 771 P CA -0.657 62.717 63.100 0.457 0.000 0.864 771 P CB 1.185 33.151 31.700 0.442 0.000 0.958 772 M N 1.142 120.967 119.600 0.375 0.000 2.753 772 M HA 0.638 5.118 4.480 -0.000 0.000 0.299 772 M C 0.220 176.898 176.300 0.630 0.000 1.219 772 M CA -0.880 54.716 55.300 0.494 0.000 0.900 772 M CB 0.985 33.800 32.600 0.358 0.000 1.628 772 M HN 0.211 nan 8.290 nan 0.000 0.502 773 S N 0.264 116.441 115.700 0.795 0.000 2.586 773 S HA 0.624 5.094 4.470 -0.000 0.000 0.296 773 S C -1.631 172.588 174.600 -0.634 0.000 1.120 773 S CA -0.695 57.609 58.200 0.173 0.000 0.927 773 S CB 1.627 64.894 63.200 0.113 0.000 1.114 773 S HN 0.738 nan 8.310 nan 0.000 0.453 774 R N 2.499 122.435 120.500 -0.940 0.000 2.594 774 R HA 0.607 4.947 4.340 -0.000 0.000 0.265 774 R C -1.404 174.663 176.300 -0.389 0.000 1.070 774 R CA -0.429 55.044 56.100 -1.046 0.000 0.909 774 R CB 0.655 29.511 30.300 -2.406 0.000 1.243 774 R HN 0.500 nan 8.270 nan 0.000 0.455 775 Q N 0.904 120.524 119.800 -0.300 0.000 0.000 775 Q HA 0.489 4.829 4.340 -0.000 0.000 0.000 775 Q C 0.165 176.175 176.000 0.016 0.000 0.000 775 Q CA 0.478 56.178 55.803 -0.172 0.000 0.000 775 Q CB 0.547 29.137 28.738 -0.246 0.000 0.000 775 Q HN 0.826 nan 8.270 nan 0.000 0.000 776 G N 2.218 111.008 108.800 -0.016 0.000 2.563 776 G HA2 0.189 4.149 3.960 -0.000 0.000 0.295 776 G HA3 0.189 4.149 3.960 -0.000 0.000 0.295 776 G C -1.920 173.041 174.900 0.101 0.000 0.874 776 G CA -0.778 44.432 45.100 0.184 0.000 1.642 776 G HN 0.387 nan 8.290 nan 0.000 0.483 777 P HA 0.040 nan 4.420 nan 0.000 0.249 777 P C 0.063 177.459 177.300 0.160 0.000 1.686 777 P CA 0.025 63.154 63.100 0.048 0.000 0.873 777 P CB -0.070 31.707 31.700 0.128 0.000 1.828 778 N N -1.321 117.486 118.700 0.177 0.000 2.008 778 N HA -0.106 4.634 4.740 -0.000 0.000 0.223 778 N C 0.196 175.966 175.510 0.433 0.000 1.477 778 N CA -0.396 52.892 53.050 0.397 0.000 1.006 778 N CB -1.478 37.289 38.487 0.468 0.000 1.044 778 N HN 0.111 nan 8.380 nan 0.000 0.646 779 F N 2.053 122.019 119.950 0.026 0.000 2.969 779 F HA -0.263 4.264 4.527 -0.000 0.000 0.273 779 F C 0.055 175.869 175.800 0.024 0.000 0.986 779 F CA 0.491 58.386 58.000 -0.176 0.000 0.926 779 F CB -0.652 37.946 39.000 -0.671 0.000 0.887 779 F HN 0.424 nan 8.300 nan 0.000 0.816 780 L N 0.644 122.069 121.223 0.337 0.000 0.584 780 L HA -0.204 4.136 4.340 -0.000 0.000 0.356 780 L C -0.184 176.832 176.870 0.242 0.000 0.944 780 L CA 1.063 56.053 54.840 0.250 0.000 1.223 780 L CB -0.369 41.798 42.059 0.179 0.000 0.011 780 L HN 0.493 nan 8.230 nan 0.000 0.091 781 D N 0.873 121.380 120.400 0.179 0.000 2.398 781 D HA 0.250 4.890 4.640 -0.000 0.000 0.264 781 D C 0.151 176.501 176.300 0.084 0.000 1.263 781 D CA 0.335 54.422 54.000 0.145 0.000 1.037 781 D CB 0.272 41.146 40.800 0.123 0.000 1.101 781 D HN 0.999 nan 8.370 nan 0.000 0.551 782 T N -2.562 112.024 114.554 0.052 0.000 3.455 782 T HA 0.365 4.715 4.350 -0.000 0.000 0.286 782 T C 0.260 174.955 174.700 -0.009 0.000 1.157 782 T CA -0.434 61.665 62.100 -0.002 0.000 1.090 782 T CB -0.151 68.719 68.868 0.002 0.000 1.112 782 T HN 0.461 nan 8.240 nan 0.000 0.779 783 T N 1.569 116.111 114.554 -0.020 0.000 3.498 783 T HA 0.254 4.604 4.350 -0.000 0.000 0.159 783 T C 1.471 176.151 174.700 -0.034 0.000 0.832 783 T CA -0.391 61.699 62.100 -0.017 0.000 0.896 783 T CB -0.147 68.725 68.868 0.006 0.000 1.098 783 T HN 0.334 nan 8.240 nan 0.000 0.281 784 L N 0.414 121.624 121.223 -0.022 0.000 1.984 784 L HA 0.245 4.584 4.340 -0.000 0.000 0.207 784 L C 1.191 178.029 176.870 -0.053 0.000 1.111 784 L CA 0.491 55.313 54.840 -0.030 0.000 0.770 784 L CB -0.634 41.416 42.059 -0.016 0.000 0.900 784 L HN 0.396 nan 8.230 nan 0.000 0.441 785 Y N 3.408 123.559 120.300 -0.248 0.000 2.759 785 Y HA -0.238 4.312 4.550 -0.000 0.000 0.397 785 Y C 0.943 176.662 175.900 -0.301 0.000 1.338 785 Y CA -0.378 57.465 58.100 -0.428 0.000 1.731 785 Y CB -0.853 37.165 38.460 -0.737 0.000 1.189 785 Y HN 0.269 nan 8.280 nan 0.000 0.495 786 D N 4.500 124.756 120.400 -0.239 0.000 2.280 786 D HA -0.173 4.467 4.640 -0.000 0.000 0.206 786 D C 0.230 176.302 176.300 -0.380 0.000 0.988 786 D CA 1.862 55.711 54.000 -0.252 0.000 0.886 786 D CB 0.001 40.721 40.800 -0.132 0.000 0.914 786 D HN 0.619 nan 8.370 nan 0.000 0.473 787 L N 0.186 120.970 121.223 -0.732 0.000 2.511 787 L HA 0.275 4.615 4.340 -0.000 0.000 0.252 787 L C -0.622 175.625 176.870 -1.037 0.000 1.542 787 L CA -0.522 53.955 54.840 -0.605 0.000 0.822 787 L CB 1.839 43.728 42.059 -0.283 0.000 1.050 787 L HN -0.202 nan 8.230 nan 0.000 0.516 788 V N 0.648 119.962 119.914 -1.000 0.000 2.966 788 V HA 0.915 5.035 4.120 -0.000 0.000 0.317 788 V C 0.026 176.079 176.094 -0.068 0.000 1.070 788 V CA 0.209 62.081 62.300 -0.712 0.000 1.008 788 V CB 2.139 33.680 31.823 -0.469 0.000 1.070 788 V HN 0.688 nan 8.190 nan 0.000 0.457 789 S N 2.509 118.355 115.700 0.243 0.000 2.627 789 S HA 0.509 4.979 4.470 -0.000 0.000 0.268 789 S C -0.870 173.977 174.600 0.413 0.000 1.130 789 S CA -0.287 58.093 58.200 0.300 0.000 0.819 789 S CB 1.133 64.512 63.200 0.297 0.000 1.100 789 S HN 1.361 nan 8.310 nan 0.000 0.465 790 S N 0.506 116.371 115.700 0.274 0.000 2.503 790 S HA 0.864 5.334 4.470 -0.000 0.000 0.301 790 S C -0.954 173.703 174.600 0.095 0.000 1.087 790 S CA 0.040 58.376 58.200 0.226 0.000 1.042 790 S CB 1.172 64.468 63.200 0.160 0.000 1.043 790 S HN 1.609 nan 8.310 nan 0.000 0.489 791 T N 3.126 117.637 114.554 -0.073 0.000 3.187 791 T HA 0.494 4.844 4.350 -0.000 0.000 0.328 791 T C -2.908 171.637 174.700 -0.260 0.000 0.951 791 T CA -1.208 60.789 62.100 -0.171 0.000 1.049 791 T CB 1.252 69.985 68.868 -0.225 0.000 1.015 791 T HN 0.332 nan 8.240 nan 0.000 0.461 792 P HA 0.082 nan 4.420 nan 0.000 0.330 792 P C 1.648 178.887 177.300 -0.101 0.000 1.436 792 P CA 0.150 63.194 63.100 -0.093 0.000 0.845 792 P CB 0.234 31.911 31.700 -0.039 0.000 2.027 793 V N -3.013 116.876 119.914 -0.043 0.000 2.521 793 V HA 0.000 4.120 4.120 -0.000 0.000 0.239 793 V C 1.421 177.551 176.094 0.060 0.000 1.053 793 V CA 1.038 63.338 62.300 -0.000 0.000 1.073 793 V CB -1.348 30.489 31.823 0.023 0.000 0.746 793 V HN 0.057 nan 8.190 nan 0.000 0.476 794 V N 4.150 124.121 119.914 0.095 0.000 3.366 794 V HA 0.163 4.283 4.120 -0.000 0.000 0.325 794 V C 1.120 177.279 176.094 0.108 0.000 1.168 794 V CA 1.450 63.857 62.300 0.178 0.000 1.348 794 V CB -2.302 29.603 31.823 0.137 0.000 1.069 794 V HN 0.996 nan 8.190 nan 0.000 0.416 795 N N -1.741 116.991 118.700 0.054 0.000 1.855 795 N HA -0.072 4.668 4.740 -0.000 0.000 0.227 795 N C -0.479 175.018 175.510 -0.021 0.000 1.470 795 N CA -0.173 52.893 53.050 0.027 0.000 0.703 795 N CB -0.326 38.169 38.487 0.013 0.000 1.030 795 N HN 0.402 nan 8.380 nan 0.000 0.600 796 D N 1.492 121.856 120.400 -0.060 0.000 2.506 796 D HA 0.052 4.692 4.640 -0.000 0.000 0.234 796 D C -0.026 176.257 176.300 -0.028 0.000 1.143 796 D CA 0.936 54.853 54.000 -0.138 0.000 0.871 796 D CB 0.389 41.118 40.800 -0.119 0.000 1.190 796 D HN 0.121 nan 8.370 nan 0.000 0.459 797 T N 2.339 116.892 114.554 -0.002 0.000 3.462 797 T HA 0.455 4.804 4.350 -0.000 0.000 0.257 797 T C 0.726 175.487 174.700 0.101 0.000 1.015 797 T CA 0.010 62.163 62.100 0.089 0.000 1.135 797 T CB -0.831 68.115 68.868 0.130 0.000 1.061 797 T HN 0.727 nan 8.240 nan 0.000 0.772 798 G N 2.218 111.072 108.800 0.091 0.000 2.707 798 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.686 798 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.686 798 G C -0.038 174.908 174.900 0.076 0.000 1.315 798 G CA -0.920 44.236 45.100 0.093 0.000 0.832 798 G HN 0.634 nan 8.290 nan 0.000 0.573 799 S N -0.181 115.569 115.700 0.083 0.000 2.564 799 S HA 0.085 4.555 4.470 -0.000 0.000 0.263 799 S C 1.661 176.317 174.600 0.093 0.000 1.378 799 S CA 0.940 59.194 58.200 0.089 0.000 0.996 799 S CB 0.715 63.984 63.200 0.115 0.000 0.881 799 S HN 1.265 nan 8.310 nan 0.000 0.555 800 Q N 2.078 121.934 119.800 0.094 0.000 2.224 800 Q HA -0.155 4.185 4.340 -0.000 0.000 0.213 800 Q C -1.217 174.905 176.000 0.203 0.000 0.998 800 Q CA 1.970 57.845 55.803 0.120 0.000 0.895 800 Q CB -1.399 27.421 28.738 0.137 0.000 0.926 800 Q HN 0.516 nan 8.270 nan 0.000 0.417 801 P HA 0.009 nan 4.420 nan 0.000 0.261 801 P C -0.222 177.190 177.300 0.186 0.000 1.650 801 P CA 0.633 63.848 63.100 0.192 0.000 0.846 801 P CB -0.675 31.095 31.700 0.117 0.000 1.758 802 S N -1.451 114.395 115.700 0.244 0.000 2.559 802 S HA -0.190 4.279 4.470 -0.000 0.000 0.250 802 S C 0.890 175.645 174.600 0.258 0.000 0.977 802 S CA 0.113 58.454 58.200 0.236 0.000 0.958 802 S CB -1.156 62.215 63.200 0.285 0.000 0.751 802 S HN 0.376 nan 8.310 nan 0.000 0.534 803 Q N 1.973 121.943 119.800 0.283 0.000 3.359 803 Q HA -0.124 4.215 4.340 -0.000 0.000 0.378 803 Q C -0.014 176.038 176.000 0.087 0.000 1.043 803 Q CA 0.745 56.674 55.803 0.210 0.000 1.248 803 Q CB -0.230 28.348 28.738 -0.266 0.000 0.987 803 Q HN 0.615 nan 8.270 nan 0.000 0.436 804 D N 2.182 122.674 120.400 0.153 0.000 1.992 804 D HA -0.106 4.533 4.640 -0.000 0.000 0.280 804 D C 0.722 177.020 176.300 -0.003 0.000 1.060 804 D CA -0.069 53.967 54.000 0.060 0.000 0.877 804 D CB -0.111 40.737 40.800 0.080 0.000 1.010 804 D HN 0.448 nan 8.370 nan 0.000 0.385 805 N N 0.316 119.029 118.700 0.022 0.000 3.221 805 N HA -0.115 4.625 4.740 -0.000 0.000 0.212 805 N C -0.814 174.672 175.510 -0.039 0.000 1.966 805 N CA 0.326 53.374 53.050 -0.004 0.000 1.074 805 N CB -0.265 38.240 38.487 0.031 0.000 1.541 805 N HN 0.026 nan 8.380 nan 0.000 0.499 806 V N -1.043 118.827 119.914 -0.074 0.000 3.087 806 V HA 0.224 4.344 4.120 -0.000 0.000 0.312 806 V C 1.183 177.205 176.094 -0.121 0.000 1.482 806 V CA -0.904 61.337 62.300 -0.099 0.000 1.015 806 V CB 1.275 33.020 31.823 -0.129 0.000 1.055 806 V HN -0.108 nan 8.190 nan 0.000 0.478 807 R N 1.409 121.822 120.500 -0.146 0.000 2.416 807 R HA -0.095 4.245 4.340 -0.000 0.000 0.207 807 R C 1.266 177.479 176.300 -0.144 0.000 1.220 807 R CA 1.133 57.133 56.100 -0.167 0.000 1.194 807 R CB -1.990 28.160 30.300 -0.251 0.000 0.892 807 R HN 1.004 nan 8.270 nan 0.000 0.481 808 N N -0.251 118.375 118.700 -0.123 0.000 3.013 808 N HA -0.475 4.265 4.740 -0.000 0.000 0.183 808 N C 0.335 175.811 175.510 -0.056 0.000 0.363 808 N CA 3.183 56.185 53.050 -0.080 0.000 1.873 808 N CB -1.198 37.228 38.487 -0.100 0.000 1.363 808 N HN 0.487 nan 8.380 nan 0.000 0.392 809 N N -3.014 115.666 118.700 -0.032 0.000 2.509 809 N HA -0.053 4.687 4.740 -0.000 0.000 0.288 809 N C -0.897 174.657 175.510 0.072 0.000 0.940 809 N CA 0.966 54.018 53.050 0.003 0.000 1.566 809 N CB -0.816 37.693 38.487 0.037 0.000 2.164 809 N HN 1.109 nan 8.380 nan 0.000 1.294 810 S N 0.125 115.881 115.700 0.094 0.000 2.734 810 S HA 0.196 4.666 4.470 -0.000 0.000 0.330 810 S C 1.680 176.369 174.600 0.149 0.000 1.230 810 S CA 1.135 59.409 58.200 0.123 0.000 1.009 810 S CB -0.687 62.605 63.200 0.154 0.000 0.685 810 S HN 1.847 nan 8.310 nan 0.000 0.468 811 G N 2.086 110.960 108.800 0.122 0.000 2.451 811 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.253 811 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.253 811 G C 0.462 175.442 174.900 0.133 0.000 1.033 811 G CA 0.812 45.980 45.100 0.113 0.000 0.633 811 G HN 0.927 nan 8.290 nan 0.000 0.537 812 F N 0.044 119.992 119.950 -0.003 0.000 2.615 812 F HA 0.528 5.055 4.527 -0.000 0.000 0.297 812 F C 1.789 177.569 175.800 -0.033 0.000 1.124 812 F CA 0.921 58.912 58.000 -0.015 0.000 1.451 812 F CB 0.080 39.074 39.000 -0.009 0.000 1.103 812 F HN 0.323 nan 8.300 nan 0.000 0.569 813 I N -1.274 119.369 120.570 0.121 0.000 4.936 813 I HA 0.559 4.729 4.170 -0.000 0.000 0.163 813 I C 0.820 176.913 176.117 -0.040 0.000 0.947 813 I CA -0.488 60.828 61.300 0.027 0.000 1.916 813 I CB -0.395 37.644 38.000 0.065 0.000 1.268 813 I HN -0.177 nan 8.210 nan 0.000 0.429 814 A N 2.189 124.982 122.820 -0.044 0.000 2.325 814 A HA 0.450 4.770 4.320 -0.000 0.000 0.260 814 A C -2.291 175.275 177.584 -0.030 0.000 1.133 814 A CA -0.470 51.527 52.037 -0.067 0.000 0.801 814 A CB -1.245 17.738 19.000 -0.028 0.000 1.092 814 A HN 0.561 nan 8.150 nan 0.000 0.504 815 P HA 0.220 nan 4.420 nan 0.000 0.337 815 P C 0.404 177.686 177.300 -0.030 0.000 1.404 815 P CA -0.015 63.059 63.100 -0.043 0.000 0.864 815 P CB 0.594 32.244 31.700 -0.083 0.000 2.124 816 R N -0.843 119.622 120.500 -0.059 0.000 2.087 816 R HA 0.117 4.457 4.340 -0.000 0.000 0.216 816 R C 1.318 177.555 176.300 -0.105 0.000 1.114 816 R CA 0.339 56.410 56.100 -0.047 0.000 1.002 816 R CB -1.254 29.020 30.300 -0.043 0.000 0.903 816 R HN 0.425 nan 8.270 nan 0.000 0.445 817 S N 1.849 117.395 115.700 -0.255 0.000 2.711 817 S HA -0.135 4.335 4.470 -0.000 0.000 0.320 817 S C 0.108 174.470 174.600 -0.396 0.000 1.240 817 S CA -0.217 57.643 58.200 -0.567 0.000 1.034 817 S CB 0.137 62.929 63.200 -0.681 0.000 0.741 817 S HN 0.192 nan 8.310 nan 0.000 0.496 818 W N 4.325 125.614 121.300 -0.017 0.000 2.133 818 W HA 0.298 4.958 4.660 -0.000 0.000 0.354 818 W C -2.083 174.424 176.519 -0.021 0.000 1.317 818 W CA -1.640 55.694 57.345 -0.018 0.000 1.386 818 W CB -1.744 27.702 29.460 -0.023 0.000 1.281 818 W HN 0.473 nan 8.180 nan 0.000 0.648 819 P HA -0.230 nan 4.420 nan 0.000 0.240 819 P C 0.125 177.464 177.300 0.064 0.000 1.079 819 P CA 1.235 64.408 63.100 0.123 0.000 0.839 819 P CB 0.334 32.103 31.700 0.115 0.000 0.750 820 V N 3.797 123.748 119.914 0.061 0.000 3.177 820 V HA 0.186 4.306 4.120 -0.000 0.000 0.220 820 V C 0.734 176.931 176.094 0.171 0.000 1.395 820 V CA 0.830 63.150 62.300 0.034 0.000 1.317 820 V CB -1.024 30.752 31.823 -0.080 0.000 1.148 820 V HN 0.591 nan 8.190 nan 0.000 0.499 821 W N 2.268 123.529 121.300 -0.064 0.000 5.400 821 W HA -0.336 4.323 4.660 -0.000 0.000 0.357 821 W C 0.963 177.446 176.519 -0.060 0.000 1.291 821 W CA 2.264 59.579 57.345 -0.050 0.000 0.911 821 W CB -1.481 27.960 29.460 -0.033 0.000 2.382 821 W HN 0.736 nan 8.180 nan 0.000 1.557 822 T N -2.305 112.210 114.554 -0.066 0.000 2.437 822 T HA 0.698 5.048 4.350 -0.000 0.000 0.186 822 T C 1.378 175.938 174.700 -0.233 0.000 0.692 822 T CA 0.262 62.262 62.100 -0.167 0.000 1.890 822 T CB -0.537 68.275 68.868 -0.094 0.000 3.035 822 T HN 0.853 nan 8.240 nan 0.000 0.386 823 A N 1.744 124.459 122.820 -0.175 0.000 2.521 823 A HA 0.296 4.616 4.320 -0.000 0.000 0.237 823 A C 0.607 178.087 177.584 -0.174 0.000 1.087 823 A CA -0.183 51.751 52.037 -0.171 0.000 0.777 823 A CB -0.371 18.548 19.000 -0.135 0.000 1.035 823 A HN 0.783 nan 8.150 nan 0.000 0.510 824 Q N 0.594 120.293 119.800 -0.168 0.000 2.730 824 Q HA 0.325 4.665 4.340 -0.000 0.000 0.244 824 Q C -0.335 175.592 176.000 -0.122 0.000 1.176 824 Q CA -0.509 55.202 55.803 -0.153 0.000 1.024 824 Q CB 0.404 29.031 28.738 -0.186 0.000 1.215 824 Q HN 0.717 nan 8.270 nan 0.000 0.542 825 Q N 1.509 121.251 119.800 -0.096 0.000 2.204 825 Q HA 0.718 5.058 4.340 -0.000 0.000 0.175 825 Q C -0.128 175.848 176.000 -0.041 0.000 1.020 825 Q CA 0.615 56.374 55.803 -0.073 0.000 1.078 825 Q CB 1.101 29.792 28.738 -0.078 0.000 1.228 825 Q HN 0.676 nan 8.270 nan 0.000 0.550 826 G N 0.177 108.964 108.800 -0.021 0.000 2.354 826 G HA2 0.303 4.263 3.960 -0.000 0.000 0.582 826 G HA3 0.303 4.263 3.960 -0.000 0.000 0.582 826 G C -1.884 173.044 174.900 0.045 0.000 1.316 826 G CA -0.367 44.743 45.100 0.017 0.000 0.995 826 G HN 0.754 nan 8.290 nan 0.000 0.573 827 E N -0.759 119.491 120.200 0.084 0.000 2.220 827 E HA 0.655 5.004 4.350 -0.000 0.000 0.256 827 E C 0.243 176.955 176.600 0.187 0.000 0.881 827 E CA -0.338 56.134 56.400 0.120 0.000 0.766 827 E CB 1.401 31.164 29.700 0.104 0.000 1.187 827 E HN 1.623 nan 8.360 nan 0.000 0.419 828 A N 4.685 127.615 122.820 0.184 0.000 2.855 828 A HA -0.036 4.284 4.320 -0.000 0.000 0.246 828 A C -0.642 177.060 177.584 0.197 0.000 1.871 828 A CA -0.280 51.863 52.037 0.176 0.000 1.569 828 A CB -0.805 18.288 19.000 0.154 0.000 0.836 828 A HN 0.679 nan 8.150 nan 0.000 0.625 829 W N 1.366 122.687 121.300 0.036 0.000 2.433 829 W HA 0.409 5.068 4.660 -0.000 0.000 0.315 829 W C -3.005 173.533 176.519 0.032 0.000 1.087 829 W CA -2.933 54.430 57.345 0.031 0.000 1.205 829 W CB 1.284 30.762 29.460 0.031 0.000 1.288 829 W HN 0.161 nan 8.180 nan 0.000 0.504 830 P HA -0.055 nan 4.420 nan 0.000 0.264 830 P C -0.351 176.732 177.300 -0.362 0.000 1.179 830 P CA 0.915 63.623 63.100 -0.653 0.000 0.763 830 P CB 0.672 31.870 31.700 -0.836 0.000 0.806 831 A N 3.003 125.757 122.820 -0.111 0.000 2.326 831 A HA 0.471 4.791 4.320 -0.000 0.000 0.303 831 A C 0.779 178.395 177.584 0.053 0.000 1.164 831 A CA -0.113 51.948 52.037 0.040 0.000 0.929 831 A CB 0.351 19.406 19.000 0.092 0.000 1.363 831 A HN 0.647 nan 8.150 nan 0.000 0.498 832 N N -2.372 116.388 118.700 0.100 0.000 2.145 832 N HA 0.067 4.807 4.740 -0.000 0.000 0.219 832 N C -0.326 175.168 175.510 -0.027 0.000 1.266 832 N CA -0.175 52.913 53.050 0.063 0.000 0.902 832 N CB 0.536 39.083 38.487 0.100 0.000 1.078 832 N HN 0.651 nan 8.380 nan 0.000 0.513 833 W N 2.550 123.750 121.300 -0.166 0.000 2.844 833 W HA 0.594 5.253 4.660 -0.000 0.000 0.340 833 W C -3.180 173.319 176.519 -0.033 0.000 1.093 833 W CA -2.271 54.938 57.345 -0.226 0.000 1.212 833 W CB 2.052 31.418 29.460 -0.157 0.000 1.422 833 W HN -0.186 nan 8.180 nan 0.000 0.515 834 P HA 0.119 nan 4.420 nan 0.000 0.291 834 P C -0.691 176.348 177.300 -0.434 0.000 1.340 834 P CA 0.088 62.692 63.100 -0.828 0.000 0.799 834 P CB 0.322 31.549 31.700 -0.788 0.000 0.917 835 Y N 4.634 124.739 120.300 -0.325 0.000 3.073 835 Y HA -0.076 4.474 4.550 -0.000 0.000 0.343 835 Y C -1.313 174.434 175.900 -0.255 0.000 1.274 835 Y CA -0.573 57.449 58.100 -0.129 0.000 1.554 835 Y CB -1.341 37.132 38.460 0.023 0.000 1.250 835 Y HN 0.384 nan 8.280 nan 0.000 0.622 836 P HA 0.149 nan 4.420 nan 0.000 0.276 836 P C -0.355 176.781 177.300 -0.273 0.000 1.235 836 P CA 0.034 63.073 63.100 -0.103 0.000 0.772 836 P CB 0.545 32.243 31.700 -0.004 0.000 0.871 837 L N 4.258 125.271 121.223 -0.350 0.000 3.255 837 L HA 0.404 4.744 4.340 -0.000 0.000 0.293 837 L C 0.733 177.423 176.870 -0.300 0.000 1.302 837 L CA -0.055 54.492 54.840 -0.489 0.000 0.977 837 L CB -0.625 41.067 42.059 -0.611 0.000 1.390 837 L HN 0.455 nan 8.230 nan 0.000 0.588 838 I N -4.947 115.509 120.570 -0.190 0.000 1.443 838 I HA 0.617 4.787 4.170 -0.000 0.000 0.290 838 I C 1.336 177.412 176.117 -0.067 0.000 0.345 838 I CA -0.237 60.992 61.300 -0.118 0.000 3.342 838 I CB -0.326 37.617 38.000 -0.094 0.000 1.551 838 I HN -0.017 nan 8.210 nan 0.000 0.548 839 G N 1.144 109.921 108.800 -0.039 0.000 2.572 839 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.547 839 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.547 839 G C 0.440 175.334 174.900 -0.011 0.000 1.354 839 G CA 1.706 46.798 45.100 -0.013 0.000 0.935 839 G HN 0.896 nan 8.290 nan 0.000 0.528 840 N N 0.142 118.844 118.700 0.003 0.000 2.368 840 N HA 0.137 4.877 4.740 -0.000 0.000 0.176 840 N C 0.313 175.832 175.510 0.015 0.000 1.021 840 N CA 1.119 54.174 53.050 0.008 0.000 0.888 840 N CB 0.152 38.648 38.487 0.014 0.000 0.995 840 N HN 0.543 nan 8.380 nan 0.000 0.437 841 D N -0.284 120.129 120.400 0.022 0.000 2.340 841 D HA 0.658 5.298 4.640 -0.000 0.000 0.251 841 D C -0.643 175.667 176.300 0.018 0.000 1.080 841 D CA 0.115 54.141 54.000 0.043 0.000 0.971 841 D CB 1.425 42.267 40.800 0.070 0.000 1.137 841 D HN 0.304 nan 8.370 nan 0.000 0.475 842 A N 0.634 123.489 122.820 0.058 0.000 2.432 842 A HA 0.325 4.645 4.320 -0.000 0.000 0.685 842 A C -0.877 176.765 177.584 0.097 0.000 0.138 842 A CA -0.639 51.401 52.037 0.004 0.000 0.030 842 A CB -1.132 17.755 19.000 -0.188 0.000 3.969 842 A HN 0.849 nan 8.150 nan 0.000 0.548 843 I N 1.572 122.384 120.570 0.404 0.000 2.776 843 I HA 0.260 4.430 4.170 -0.000 0.000 0.281 843 I C -0.462 175.885 176.117 0.384 0.000 1.620 843 I CA -0.017 61.456 61.300 0.289 0.000 1.172 843 I CB 0.922 38.987 38.000 0.109 0.000 1.593 843 I HN 1.002 nan 8.210 nan 0.000 0.418 844 S N 5.288 121.216 115.700 0.381 0.000 2.416 844 S HA 0.135 4.605 4.470 -0.000 0.000 0.302 844 S C 0.477 175.105 174.600 0.046 0.000 1.120 844 S CA 0.196 58.539 58.200 0.238 0.000 1.067 844 S CB 0.698 64.011 63.200 0.188 0.000 1.057 844 S HN 0.723 nan 8.310 nan 0.000 0.518 845 S N 4.248 119.932 115.700 -0.026 0.000 4.461 845 S HA -0.241 4.228 4.470 -0.000 0.000 0.302 845 S C 1.032 175.629 174.600 -0.004 0.000 0.454 845 S CA 0.868 59.057 58.200 -0.019 0.000 1.286 845 S CB -0.846 62.340 63.200 -0.025 0.000 2.085 845 S HN 0.961 nan 8.310 nan 0.000 0.320 846 N N 0.423 119.124 118.700 0.001 0.000 1.621 846 N HA -0.203 4.537 4.740 -0.000 0.000 0.211 846 N C -0.193 175.318 175.510 0.002 0.000 1.089 846 N CA 1.828 54.877 53.050 -0.002 0.000 4.317 846 N CB -0.953 37.529 38.487 -0.009 0.000 0.684 846 N HN 1.051 nan 8.380 nan 0.000 0.271 847 Q N -0.154 119.649 119.800 0.005 0.000 2.791 847 Q HA 0.408 4.748 4.340 -0.000 0.000 0.280 847 Q C -0.796 175.202 176.000 -0.003 0.000 0.928 847 Q CA -0.100 55.702 55.803 -0.000 0.000 0.819 847 Q CB 0.442 29.165 28.738 -0.024 0.000 1.552 847 Q HN 0.285 nan 8.270 nan 0.000 0.410 848 T N -0.646 113.889 114.554 -0.031 0.000 2.897 848 T HA 0.160 4.510 4.350 -0.000 0.000 0.304 848 T C 0.537 175.183 174.700 -0.091 0.000 1.051 848 T CA -0.051 62.006 62.100 -0.073 0.000 1.132 848 T CB 0.338 69.101 68.868 -0.174 0.000 1.066 848 T HN 0.970 nan 8.240 nan 0.000 0.518 849 V N 2.454 122.298 119.914 -0.118 0.000 3.083 849 V HA 0.391 4.511 4.120 -0.000 0.000 0.306 849 V C 0.344 176.277 176.094 -0.268 0.000 1.077 849 V CA -0.858 61.328 62.300 -0.190 0.000 1.073 849 V CB 1.358 33.030 31.823 -0.251 0.000 1.081 849 V HN 1.124 nan 8.190 nan 0.000 0.474 850 N N 2.709 121.241 118.700 -0.279 0.000 2.448 850 N HA 0.379 5.119 4.740 -0.000 0.000 0.279 850 N C -2.053 173.341 175.510 -0.193 0.000 1.025 850 N CA -0.570 52.351 53.050 -0.215 0.000 0.898 850 N CB 1.074 39.504 38.487 -0.095 0.000 1.303 850 N HN 0.661 nan 8.380 nan 0.000 0.495 851 Y N 2.614 122.926 120.300 0.020 0.000 2.594 851 Y HA 0.265 4.815 4.550 -0.000 0.000 0.342 851 Y C -0.009 176.034 175.900 0.238 0.000 1.010 851 Y CA -0.513 57.671 58.100 0.140 0.000 1.270 851 Y CB 0.656 39.231 38.460 0.193 0.000 1.125 851 Y HN 0.189 nan 8.280 nan 0.000 0.513 852 K N 4.631 125.251 120.400 0.366 0.000 2.253 852 K HA 0.361 4.681 4.320 -0.000 0.000 0.277 852 K C -0.243 176.603 176.600 0.410 0.000 1.053 852 K CA -0.712 55.796 56.287 0.368 0.000 0.892 852 K CB 1.164 33.804 32.500 0.233 0.000 1.102 852 K HN 0.541 nan 8.250 nan 0.000 0.469 853 K N 3.051 123.755 120.400 0.507 0.000 2.433 853 K HA 0.569 4.889 4.320 -0.000 0.000 0.252 853 K C -1.014 175.867 176.600 0.468 0.000 1.015 853 K CA -0.881 55.653 56.287 0.412 0.000 0.860 853 K CB 1.302 33.945 32.500 0.237 0.000 1.359 853 K HN 0.476 nan 8.250 nan 0.000 0.452 854 F N -0.107 119.942 119.950 0.164 0.000 2.691 854 F HA 0.750 5.277 4.527 -0.000 0.000 0.334 854 F C -1.753 174.046 175.800 -0.001 0.000 1.107 854 F CA -1.415 56.672 58.000 0.144 0.000 0.991 854 F CB 1.449 40.562 39.000 0.189 0.000 1.400 854 F HN 0.405 nan 8.300 nan 0.000 0.503 855 L N 1.130 121.894 121.223 -0.766 0.000 2.359 855 L HA 0.736 5.076 4.340 -0.000 0.000 0.256 855 L C -1.767 174.502 176.870 -1.001 0.000 1.026 855 L CA -0.770 53.469 54.840 -1.002 0.000 0.828 855 L CB 2.404 44.176 42.059 -0.478 0.000 1.406 855 L HN 1.034 nan 8.230 nan 0.000 0.413 856 C N 1.265 120.111 119.300 -0.757 0.000 3.094 856 C HA 0.559 5.019 4.460 -0.000 0.000 0.414 856 C C -1.929 173.018 174.990 -0.071 0.000 0.993 856 C CA -0.562 58.239 59.018 -0.361 0.000 1.217 856 C CB 0.966 28.509 27.740 -0.328 0.000 1.603 856 C HN 0.867 nan 8.230 nan 0.000 0.564 857 D N 3.046 123.505 120.400 0.099 0.000 2.592 857 D HA 0.473 5.113 4.640 -0.000 0.000 0.263 857 D C -0.962 175.594 176.300 0.427 0.000 1.132 857 D CA -0.093 54.101 54.000 0.324 0.000 0.996 857 D CB 1.261 42.298 40.800 0.396 0.000 1.442 857 D HN 0.789 nan 8.370 nan 0.000 0.486 858 N N 0.716 119.773 118.700 0.596 0.000 2.652 858 N HA -0.272 4.468 4.740 -0.000 0.000 0.281 858 N C -0.670 175.239 175.510 0.665 0.000 1.084 858 N CA 0.980 54.413 53.050 0.638 0.000 0.775 858 N CB -1.238 37.625 38.487 0.628 0.000 0.923 858 N HN 0.546 nan 8.380 nan 0.000 0.558 859 Y N -0.917 119.703 120.300 0.533 0.000 3.035 859 Y HA 0.601 5.151 4.550 -0.000 0.000 0.388 859 Y C -1.851 174.037 175.900 -0.019 0.000 1.268 859 Y CA -0.878 57.400 58.100 0.296 0.000 1.128 859 Y CB 0.228 38.736 38.460 0.079 0.000 1.820 859 Y HN 0.076 nan 8.280 nan 0.000 0.432 860 L N -0.044 120.560 121.223 -1.032 0.000 2.205 860 L HA 0.586 4.926 4.340 -0.000 0.000 0.242 860 L C -1.502 174.305 176.870 -1.771 0.000 1.115 860 L CA -0.806 53.297 54.840 -1.228 0.000 0.987 860 L CB 2.284 43.860 42.059 -0.805 0.000 1.568 860 L HN 0.738 nan 8.230 nan 0.000 0.450 861 W N -0.500 120.105 121.300 -1.159 0.000 2.781 861 W HA 0.625 5.285 4.660 -0.000 0.000 0.345 861 W C -0.936 175.150 176.519 -0.722 0.000 1.085 861 W CA -0.382 56.341 57.345 -1.038 0.000 1.198 861 W CB 2.272 30.648 29.460 -1.807 0.000 1.423 861 W HN 0.330 nan 8.180 nan 0.000 0.532 862 T N -0.966 113.559 114.554 -0.048 0.000 3.705 862 T HA 0.499 4.849 4.350 -0.000 0.000 0.342 862 T C -1.204 173.495 174.700 -0.003 0.000 1.043 862 T CA -0.762 61.331 62.100 -0.013 0.000 1.071 862 T CB 0.082 68.879 68.868 -0.118 0.000 1.124 862 T HN 0.169 nan 8.240 nan 0.000 0.467 863 V N 3.859 123.850 119.914 0.128 0.000 2.997 863 V HA 0.786 4.906 4.120 -0.000 0.000 0.311 863 V C -2.169 173.952 176.094 0.045 0.000 1.066 863 V CA -2.030 60.286 62.300 0.027 0.000 1.039 863 V CB 1.571 33.518 31.823 0.206 0.000 1.081 863 V HN 0.882 nan 8.190 nan 0.000 0.467 864 P HA 0.282 nan 4.420 nan 0.000 0.301 864 P C -0.876 176.585 177.300 0.269 0.000 1.420 864 P CA -0.642 62.471 63.100 0.022 0.000 1.006 864 P CB 1.029 32.680 31.700 -0.081 0.000 0.982 865 F N 3.441 123.278 119.950 -0.188 0.000 2.563 865 F HA 0.121 4.648 4.527 -0.000 0.000 0.323 865 F C -0.148 175.718 175.800 0.110 0.000 1.297 865 F CA 1.484 59.302 58.000 -0.303 0.000 1.026 865 F CB -0.769 37.848 39.000 -0.638 0.000 1.410 865 F HN 0.198 nan 8.300 nan 0.000 0.656 866 S N 0.653 116.588 115.700 0.392 0.000 2.727 866 S HA 0.369 4.838 4.470 -0.000 0.000 0.278 866 S C 0.523 175.351 174.600 0.381 0.000 1.186 866 S CA -0.321 58.046 58.200 0.278 0.000 0.836 866 S CB 1.558 64.876 63.200 0.196 0.000 1.186 866 S HN 0.245 nan 8.310 nan 0.000 0.499 867 S N 1.463 117.297 115.700 0.223 0.000 2.339 867 S HA -0.030 4.440 4.470 -0.000 0.000 0.213 867 S C 1.180 175.893 174.600 0.188 0.000 1.033 867 S CA 1.190 59.487 58.200 0.162 0.000 0.950 867 S CB -0.772 62.481 63.200 0.090 0.000 0.893 867 S HN 0.913 nan 8.310 nan 0.000 0.492 868 D N -0.715 119.805 120.400 0.199 0.000 2.355 868 D HA 0.135 4.775 4.640 -0.000 0.000 0.218 868 D C 0.416 177.006 176.300 0.484 0.000 1.004 868 D CA 0.082 54.252 54.000 0.283 0.000 0.880 868 D CB -0.172 40.723 40.800 0.158 0.000 0.911 868 D HN 0.207 nan 8.370 nan 0.000 0.528 869 F N -1.186 118.840 119.950 0.126 0.000 2.427 869 F HA -0.266 4.261 4.527 -0.000 0.000 0.567 869 F C 0.463 176.307 175.800 0.073 0.000 0.511 869 F CA 0.604 58.653 58.000 0.081 0.000 1.311 869 F CB -1.173 37.817 39.000 -0.017 0.000 2.049 869 F HN 0.006 nan 8.300 nan 0.000 0.259 870 M N -0.916 118.850 119.600 0.277 0.000 2.245 870 M HA 0.285 4.765 4.480 -0.000 0.000 0.292 870 M C -0.108 176.291 176.300 0.164 0.000 1.176 870 M CA -0.487 54.923 55.300 0.182 0.000 1.035 870 M CB 0.475 33.187 32.600 0.188 0.000 1.440 870 M HN 0.089 nan 8.290 nan 0.000 0.494 871 Y N 0.750 121.068 120.300 0.031 0.000 2.367 871 Y HA 0.351 4.901 4.550 -0.000 0.000 0.342 871 Y C -0.030 175.898 175.900 0.046 0.000 0.979 871 Y CA -0.112 58.008 58.100 0.033 0.000 1.161 871 Y CB 0.789 39.264 38.460 0.024 0.000 1.155 871 Y HN 0.659 nan 8.280 nan 0.000 0.503 872 M N 3.694 122.970 119.600 -0.540 0.000 2.669 872 M HA 0.398 4.878 4.480 -0.000 0.000 0.248 872 M C 0.720 176.656 176.300 -0.606 0.000 1.382 872 M CA 0.608 55.628 55.300 -0.467 0.000 1.158 872 M CB 1.114 33.608 32.600 -0.178 0.000 1.371 872 M HN 0.733 nan 8.290 nan 0.000 0.540 873 G N -0.923 107.561 108.800 -0.527 0.000 2.642 873 G HA2 0.395 4.355 3.960 -0.000 0.000 0.293 873 G HA3 0.395 4.355 3.960 -0.000 0.000 0.293 873 G C -0.311 174.660 174.900 0.118 0.000 1.341 873 G CA -0.386 44.587 45.100 -0.211 0.000 0.916 873 G HN 0.131 nan 8.290 nan 0.000 0.474 874 E N -0.493 119.895 120.200 0.314 0.000 2.007 874 E HA -0.061 4.289 4.350 -0.000 0.000 0.194 874 E C 1.273 178.029 176.600 0.260 0.000 0.999 874 E CA 0.851 57.522 56.400 0.452 0.000 0.811 874 E CB -0.217 29.821 29.700 0.563 0.000 0.762 874 E HN 0.507 nan 8.360 nan 0.000 0.450 875 L N 0.295 121.659 121.223 0.236 0.000 2.357 875 L HA 0.513 4.853 4.340 -0.000 0.000 0.273 875 L C -0.045 176.872 176.870 0.079 0.000 1.080 875 L CA -1.021 53.823 54.840 0.007 0.000 0.803 875 L CB 1.305 43.346 42.059 -0.029 0.000 1.174 875 L HN -0.040 nan 8.230 nan 0.000 0.443 876 T N -2.379 112.210 114.554 0.057 0.000 2.897 876 T HA 0.155 4.504 4.350 -0.000 0.000 0.294 876 T C 0.568 175.330 174.700 0.104 0.000 1.004 876 T CA -0.560 61.594 62.100 0.089 0.000 1.106 876 T CB 1.084 70.016 68.868 0.107 0.000 0.949 876 T HN 0.653 nan 8.240 nan 0.000 0.520 877 D N 0.723 121.168 120.400 0.076 0.000 2.315 877 D HA -0.069 4.571 4.640 -0.000 0.000 0.211 877 D C 1.664 178.017 176.300 0.088 0.000 0.977 877 D CA 0.487 54.527 54.000 0.067 0.000 0.894 877 D CB 0.022 40.848 40.800 0.042 0.000 0.910 877 D HN 0.337 nan 8.370 nan 0.000 0.490 878 L N -0.191 121.088 121.223 0.093 0.000 2.127 878 L HA 0.074 4.414 4.340 -0.000 0.000 0.203 878 L C 2.366 179.479 176.870 0.404 0.000 1.080 878 L CA 1.200 56.099 54.840 0.097 0.000 0.768 878 L CB -1.234 40.580 42.059 -0.408 0.000 0.924 878 L HN 0.053 nan 8.230 nan 0.000 0.444 879 G N -0.744 108.259 108.800 0.338 0.000 2.414 879 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.215 879 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.215 879 G C 1.316 176.370 174.900 0.256 0.000 1.188 879 G CA 0.101 45.385 45.100 0.306 0.000 0.783 879 G HN 0.395 nan 8.290 nan 0.000 0.537 880 Q N 0.431 120.339 119.800 0.180 0.000 2.268 880 Q HA -0.155 4.185 4.340 -0.000 0.000 0.210 880 Q C 0.993 177.065 176.000 0.121 0.000 0.988 880 Q CA 0.505 56.389 55.803 0.135 0.000 0.883 880 Q CB -0.526 28.273 28.738 0.101 0.000 0.911 880 Q HN 0.591 nan 8.270 nan 0.000 0.430 881 N N 1.957 120.741 118.700 0.140 0.000 2.365 881 N HA -0.061 4.679 4.740 -0.000 0.000 0.265 881 N C -2.021 173.478 175.510 -0.019 0.000 1.288 881 N CA -0.943 52.120 53.050 0.021 0.000 0.869 881 N CB 0.932 39.371 38.487 -0.080 0.000 1.071 881 N HN -0.162 nan 8.380 nan 0.000 0.480 882 P HA -0.092 nan 4.420 nan 0.000 0.230 882 P C 0.439 177.694 177.300 -0.075 0.000 1.158 882 P CA 0.876 63.954 63.100 -0.037 0.000 0.769 882 P CB 0.267 31.947 31.700 -0.033 0.000 0.807 883 M N -2.599 116.834 119.600 -0.278 0.000 2.494 883 M HA 0.129 4.609 4.480 -0.000 0.000 0.232 883 M C 0.092 176.378 176.300 -0.023 0.000 1.137 883 M CA 0.609 55.767 55.300 -0.236 0.000 1.012 883 M CB -0.685 31.643 32.600 -0.453 0.000 1.567 883 M HN 0.047 nan 8.290 nan 0.000 0.486 884 Y N -2.173 118.216 120.300 0.148 0.000 2.666 884 Y HA 0.291 4.841 4.550 -0.000 0.000 0.260 884 Y C 1.899 177.901 175.900 0.170 0.000 1.089 884 Y CA -0.373 57.852 58.100 0.208 0.000 1.246 884 Y CB -0.492 38.082 38.460 0.189 0.000 1.353 884 Y HN 0.048 nan 8.280 nan 0.000 0.558 885 T N -0.782 113.893 114.554 0.202 0.000 3.045 885 T HA 0.082 4.432 4.350 -0.000 0.000 0.239 885 T C 1.117 175.874 174.700 0.094 0.000 1.008 885 T CA 0.307 62.485 62.100 0.130 0.000 1.143 885 T CB 0.119 69.033 68.868 0.077 0.000 0.894 885 T HN 0.067 nan 8.240 nan 0.000 0.451 886 N N 2.091 120.833 118.700 0.070 0.000 2.271 886 N HA 0.047 4.787 4.740 -0.000 0.000 0.276 886 N C 0.338 175.862 175.510 0.023 0.000 1.292 886 N CA -0.023 53.049 53.050 0.038 0.000 0.934 886 N CB -0.512 37.986 38.487 0.018 0.000 1.037 886 N HN 0.212 nan 8.380 nan 0.000 0.483 887 N N 0.350 119.034 118.700 -0.026 0.000 2.138 887 N HA -0.135 4.604 4.740 -0.000 0.000 0.271 887 N C 0.138 175.518 175.510 -0.217 0.000 1.272 887 N CA 0.204 53.196 53.050 -0.097 0.000 0.819 887 N CB 0.410 38.827 38.487 -0.116 0.000 1.052 887 N HN 0.453 nan 8.380 nan 0.000 0.479 888 S N 2.960 118.579 115.700 -0.134 0.000 2.680 888 S HA 0.077 4.547 4.470 -0.000 0.000 0.249 888 S C 0.293 174.655 174.600 -0.396 0.000 1.358 888 S CA 0.125 58.285 58.200 -0.067 0.000 0.963 888 S CB 0.381 63.618 63.200 0.062 0.000 0.984 888 S HN 0.756 nan 8.310 nan 0.000 0.584 889 H N -1.491 117.729 119.070 0.251 0.000 4.239 889 H HA 0.728 5.284 4.556 -0.000 0.000 0.418 889 H C -0.443 174.993 175.328 0.180 0.000 1.397 889 H CA -0.210 55.952 56.048 0.190 0.000 0.937 889 H CB 1.016 30.888 29.762 0.183 0.000 1.191 889 H HN 0.719 nan 8.280 nan 0.000 0.800 890 S N -0.357 115.491 115.700 0.247 0.000 2.656 890 S HA 0.603 5.072 4.470 -0.000 0.000 0.265 890 S C -1.829 172.650 174.600 -0.202 0.000 1.132 890 S CA -0.506 57.746 58.200 0.087 0.000 0.819 890 S CB 1.677 64.942 63.200 0.108 0.000 1.119 890 S HN 0.530 nan 8.310 nan 0.000 0.476 891 M N 1.780 121.236 119.600 -0.239 0.000 2.605 891 M HA 0.566 5.046 4.480 -0.000 0.000 0.281 891 M C -2.392 173.757 176.300 -0.252 0.000 1.166 891 M CA -0.443 54.589 55.300 -0.447 0.000 0.875 891 M CB 1.745 33.767 32.600 -0.963 0.000 1.732 891 M HN 0.485 nan 8.290 nan 0.000 0.504 892 V N 3.878 123.629 119.914 -0.272 0.000 2.653 892 V HA 0.475 4.595 4.120 -0.000 0.000 0.298 892 V C -1.292 174.677 176.094 -0.210 0.000 1.097 892 V CA -0.574 61.621 62.300 -0.174 0.000 0.908 892 V CB 1.805 33.558 31.823 -0.115 0.000 1.024 892 V HN 0.689 nan 8.190 nan 0.000 0.435 893 I N 4.438 124.907 120.570 -0.167 0.000 2.354 893 I HA 0.511 4.681 4.170 -0.000 0.000 0.292 893 I C 0.138 176.263 176.117 0.013 0.000 0.989 893 I CA -0.045 61.144 61.300 -0.185 0.000 1.188 893 I CB 1.427 39.294 38.000 -0.222 0.000 1.342 893 I HN 0.517 nan 8.210 nan 0.000 0.457 894 N N 5.263 123.916 118.700 -0.078 0.000 2.384 894 N HA 0.596 5.336 4.740 -0.000 0.000 0.301 894 N C -1.277 174.246 175.510 0.022 0.000 1.133 894 N CA -0.333 52.758 53.050 0.068 0.000 0.853 894 N CB 1.667 40.135 38.487 -0.031 0.000 1.241 894 N HN 0.335 nan 8.380 nan 0.000 0.502 895 F N -0.255 119.625 119.950 -0.117 0.000 2.691 895 F HA 0.380 4.907 4.527 -0.000 0.000 0.334 895 F C 0.597 176.342 175.800 -0.091 0.000 1.107 895 F CA -0.681 57.258 58.000 -0.103 0.000 0.991 895 F CB 1.809 40.757 39.000 -0.087 0.000 1.400 895 F HN 0.340 nan 8.300 nan 0.000 0.503 896 E N 1.559 121.818 120.200 0.098 0.000 4.090 896 E HA 0.218 4.568 4.350 -0.000 0.000 0.235 896 E C -1.270 175.309 176.600 -0.035 0.000 1.187 896 E CA -0.320 56.085 56.400 0.009 0.000 1.308 896 E CB 0.417 30.107 29.700 -0.016 0.000 1.222 896 E HN 0.289 nan 8.360 nan 0.000 0.414 897 L N 0.888 122.057 121.223 -0.089 0.000 2.510 897 L HA 0.010 4.350 4.340 -0.000 0.000 0.300 897 L C 0.481 177.278 176.870 -0.122 0.000 1.283 897 L CA 1.010 55.735 54.840 -0.192 0.000 0.834 897 L CB -0.136 41.770 42.059 -0.255 0.000 1.085 897 L HN 0.302 nan 8.230 nan 0.000 0.545 898 D N 2.431 122.752 120.400 -0.131 0.000 2.274 898 D HA 0.280 4.920 4.640 -0.000 0.000 0.239 898 D C -2.094 174.159 176.300 -0.078 0.000 1.104 898 D CA -1.115 52.839 54.000 -0.076 0.000 0.840 898 D CB 0.492 41.259 40.800 -0.054 0.000 1.100 898 D HN 0.303 nan 8.370 nan 0.000 0.477 899 P HA -0.204 nan 4.420 nan 0.000 0.255 899 P C -0.627 176.635 177.300 -0.064 0.000 1.104 899 P CA 0.321 63.388 63.100 -0.055 0.000 0.764 899 P CB 0.176 31.854 31.700 -0.038 0.000 0.682 900 M N 3.735 123.291 119.600 -0.073 0.000 2.078 900 M HA 0.144 4.624 4.480 -0.000 0.000 0.320 900 M C 1.228 177.485 176.300 -0.072 0.000 0.969 900 M CA -0.506 54.748 55.300 -0.077 0.000 0.929 900 M CB 0.376 32.916 32.600 -0.100 0.000 1.504 900 M HN 0.299 nan 8.290 nan 0.000 0.419 901 D N 2.930 123.293 120.400 -0.062 0.000 2.412 901 D HA -0.225 4.414 4.640 -0.000 0.000 0.191 901 D C 0.160 176.420 176.300 -0.065 0.000 1.019 901 D CA 2.168 56.133 54.000 -0.060 0.000 0.866 901 D CB 0.341 41.109 40.800 -0.054 0.000 0.966 901 D HN 0.802 nan 8.370 nan 0.000 0.459 902 E N -0.187 119.966 120.200 -0.079 0.000 2.568 902 E HA 0.232 4.582 4.350 -0.000 0.000 0.242 902 E C -0.211 176.316 176.600 -0.122 0.000 0.945 902 E CA -0.901 55.444 56.400 -0.091 0.000 0.918 902 E CB 0.245 29.889 29.700 -0.093 0.000 1.386 902 E HN -0.047 nan 8.360 nan 0.000 0.426 903 N N 0.292 118.909 118.700 -0.139 0.000 2.441 903 N HA 0.202 4.942 4.740 -0.000 0.000 0.251 903 N C -0.677 174.638 175.510 -0.324 0.000 1.242 903 N CA 0.488 53.425 53.050 -0.188 0.000 0.898 903 N CB 0.867 39.260 38.487 -0.155 0.000 1.100 903 N HN 0.462 nan 8.380 nan 0.000 0.443 904 T N -0.227 114.083 114.554 -0.406 0.000 2.762 904 T HA 0.518 4.868 4.350 -0.000 0.000 0.301 904 T C -0.729 173.636 174.700 -0.559 0.000 1.299 904 T CA -0.508 61.270 62.100 -0.538 0.000 1.005 904 T CB 0.888 69.597 68.868 -0.266 0.000 1.377 904 T HN 0.271 nan 8.240 nan 0.000 0.504 905 Y N -1.122 119.141 120.300 -0.061 0.000 3.303 905 Y HA 0.810 5.360 4.550 -0.000 0.000 0.326 905 Y C 1.241 177.099 175.900 -0.069 0.000 1.476 905 Y CA -0.860 57.197 58.100 -0.071 0.000 0.816 905 Y CB -0.221 38.182 38.460 -0.094 0.000 1.213 905 Y HN 0.395 nan 8.280 nan 0.000 0.806 906 V N -3.282 116.728 119.914 0.160 0.000 3.887 906 V HA 0.049 4.169 4.120 -0.000 0.000 0.171 906 V C -1.548 174.619 176.094 0.123 0.000 1.450 906 V CA 0.206 62.544 62.300 0.063 0.000 1.106 906 V CB -0.395 31.377 31.823 -0.086 0.000 1.124 906 V HN 0.557 nan 8.190 nan 0.000 0.576 907 Y N 1.849 122.049 120.300 -0.167 0.000 2.643 907 Y HA -0.147 4.403 4.550 -0.000 0.000 0.062 907 Y C -0.858 174.990 175.900 -0.086 0.000 1.809 907 Y CA 0.090 58.110 58.100 -0.132 0.000 1.309 907 Y CB -0.626 37.864 38.460 0.050 0.000 1.957 907 Y HN 0.489 nan 8.280 nan 0.000 0.277 908 M N 7.281 126.713 119.600 -0.279 0.000 2.336 908 M HA 0.672 5.152 4.480 -0.000 0.000 0.342 908 M C -1.746 174.379 176.300 -0.291 0.000 1.128 908 M CA -1.016 54.125 55.300 -0.266 0.000 1.016 908 M CB 0.989 33.542 32.600 -0.079 0.000 1.665 908 M HN 0.471 nan 8.290 nan 0.000 0.445 909 L N 6.673 127.684 121.223 -0.353 0.000 2.301 909 L HA 0.423 4.763 4.340 -0.000 0.000 0.278 909 L C -1.492 175.265 176.870 -0.188 0.000 1.022 909 L CA -0.061 54.623 54.840 -0.259 0.000 0.854 909 L CB 0.339 42.173 42.059 -0.376 0.000 1.226 909 L HN 0.554 nan 8.230 nan 0.000 0.429 910 Y N 1.331 121.609 120.300 -0.036 0.000 2.341 910 Y HA 0.622 5.171 4.550 -0.000 0.000 0.340 910 Y C 1.013 176.836 175.900 -0.128 0.000 0.997 910 Y CA -0.753 57.326 58.100 -0.036 0.000 1.149 910 Y CB 1.454 40.019 38.460 0.176 0.000 1.171 910 Y HN 0.559 nan 8.280 nan 0.000 0.494 911 G N 2.109 110.829 108.800 -0.133 0.000 2.343 911 G HA2 0.603 4.563 3.960 -0.000 0.000 0.319 911 G HA3 0.603 4.563 3.960 -0.000 0.000 0.319 911 G C -1.027 173.743 174.900 -0.217 0.000 1.126 911 G CA -0.645 44.351 45.100 -0.173 0.000 0.889 911 G HN 0.770 nan 8.290 nan 0.000 0.457 912 V N -0.399 119.393 119.914 -0.203 0.000 3.216 912 V HA 0.708 4.827 4.120 -0.000 0.000 0.302 912 V C -1.174 174.795 176.094 -0.207 0.000 1.286 912 V CA -1.593 60.540 62.300 -0.279 0.000 1.048 912 V CB 1.386 33.090 31.823 -0.197 0.000 1.081 912 V HN 0.482 nan 8.190 nan 0.000 0.442 913 F N 2.014 121.929 119.950 -0.059 0.000 2.541 913 F HA 0.363 4.889 4.527 -0.000 0.000 0.378 913 F C 1.304 177.042 175.800 -0.104 0.000 1.068 913 F CA -0.054 57.929 58.000 -0.029 0.000 1.199 913 F CB 0.286 39.308 39.000 0.036 0.000 1.091 913 F HN 0.759 nan 8.300 nan 0.000 0.555 914 D N 2.628 123.064 120.400 0.061 0.000 2.561 914 D HA 0.017 4.657 4.640 -0.000 0.000 0.232 914 D C 0.398 176.662 176.300 -0.059 0.000 1.198 914 D CA 0.107 54.014 54.000 -0.154 0.000 0.826 914 D CB -0.005 40.559 40.800 -0.393 0.000 0.992 914 D HN 0.477 nan 8.370 nan 0.000 0.490 915 T N -0.773 113.896 114.554 0.191 0.000 2.533 915 T HA 0.141 4.490 4.350 -0.000 0.000 0.366 915 T C 0.629 175.591 174.700 0.436 0.000 1.055 915 T CA -0.193 62.111 62.100 0.340 0.000 1.043 915 T CB 1.204 70.201 68.868 0.214 0.000 1.044 915 T HN 0.077 nan 8.240 nan 0.000 0.535 916 V N -1.015 119.097 119.914 0.329 0.000 3.209 916 V HA 0.708 4.828 4.120 -0.000 0.000 0.306 916 V C -1.626 174.480 176.094 0.019 0.000 1.707 916 V CA -0.906 61.518 62.300 0.207 0.000 0.982 916 V CB 2.127 34.100 31.823 0.250 0.000 1.040 916 V HN 1.103 nan 8.190 nan 0.000 0.485 917 R N -0.419 120.023 120.500 -0.096 0.000 2.741 917 R HA 0.702 5.042 4.340 -0.000 0.000 0.276 917 R C -2.593 173.585 176.300 -0.203 0.000 1.028 917 R CA 0.057 56.053 56.100 -0.174 0.000 0.865 917 R CB 1.792 32.024 30.300 -0.114 0.000 1.268 917 R HN 0.985 nan 8.270 nan 0.000 0.475 918 V N 2.576 122.357 119.914 -0.222 0.000 2.524 918 V HA 0.424 4.544 4.120 -0.000 0.000 0.297 918 V C -1.644 174.367 176.094 -0.138 0.000 1.035 918 V CA -0.629 61.567 62.300 -0.174 0.000 0.867 918 V CB 1.609 33.326 31.823 -0.177 0.000 1.004 918 V HN 0.787 nan 8.190 nan 0.000 0.426 919 N N 5.413 124.049 118.700 -0.106 0.000 2.707 919 N HA 0.372 5.112 4.740 -0.000 0.000 0.235 919 N C -0.446 175.026 175.510 -0.064 0.000 1.028 919 N CA -0.286 52.717 53.050 -0.079 0.000 0.906 919 N CB 0.988 39.437 38.487 -0.063 0.000 1.131 919 N HN 0.744 nan 8.380 nan 0.000 0.509 920 Q N 3.933 123.699 119.800 -0.056 0.000 2.361 920 Q HA 0.206 4.546 4.340 -0.000 0.000 0.250 920 Q C -1.704 174.291 176.000 -0.009 0.000 1.023 920 Q CA -1.589 54.194 55.803 -0.033 0.000 0.915 920 Q CB 1.569 30.297 28.738 -0.018 0.000 1.238 920 Q HN 0.560 nan 8.270 nan 0.000 0.451 921 P HA -0.081 nan 4.420 nan 0.000 0.209 921 P C -0.546 176.769 177.300 0.026 0.000 1.158 921 P CA 0.816 63.921 63.100 0.009 0.000 0.899 921 P CB 0.460 32.163 31.700 0.005 0.000 0.756 922 E N 0.107 120.331 120.200 0.039 0.000 2.244 922 E HA 0.347 4.697 4.350 -0.000 0.000 0.260 922 E C -0.387 176.261 176.600 0.080 0.000 0.884 922 E CA -1.120 55.310 56.400 0.051 0.000 0.777 922 E CB 1.606 31.329 29.700 0.039 0.000 1.197 922 E HN -0.084 nan 8.360 nan 0.000 0.416 923 R N 2.687 123.241 120.500 0.090 0.000 3.236 923 R HA -0.275 4.065 4.340 -0.000 0.000 0.175 923 R C -0.509 175.880 176.300 0.147 0.000 0.807 923 R CA 1.314 57.483 56.100 0.115 0.000 0.893 923 R CB -0.317 30.024 30.300 0.068 0.000 1.031 923 R HN 0.950 nan 8.270 nan 0.000 0.337 924 N N 1.085 119.931 118.700 0.243 0.000 2.498 924 N HA -0.220 4.519 4.740 -0.000 0.000 0.297 924 N C -1.904 173.769 175.510 0.272 0.000 1.338 924 N CA 1.227 54.466 53.050 0.315 0.000 0.681 924 N CB -0.040 38.494 38.487 0.078 0.000 0.952 924 N HN 0.420 nan 8.380 nan 0.000 0.524 925 V N 2.917 123.014 119.914 0.306 0.000 2.616 925 V HA 0.163 4.283 4.120 -0.000 0.000 0.242 925 V C -0.918 175.180 176.094 0.008 0.000 1.883 925 V CA -0.729 61.641 62.300 0.117 0.000 0.754 925 V CB 0.599 32.472 31.823 0.083 0.000 1.299 925 V HN 0.430 nan 8.190 nan 0.000 0.524 926 L N 2.984 124.175 121.223 -0.054 0.000 2.485 926 L HA 1.072 5.412 4.340 -0.000 0.000 0.245 926 L C -0.447 176.383 176.870 -0.067 0.000 1.137 926 L CA -0.400 54.371 54.840 -0.114 0.000 0.954 926 L CB 2.376 44.279 42.059 -0.261 0.000 1.560 926 L HN 0.990 nan 8.230 nan 0.000 0.403 927 A N 1.408 124.181 122.820 -0.079 0.000 2.590 927 A HA 0.544 4.864 4.320 -0.000 0.000 0.309 927 A C -1.593 175.940 177.584 -0.084 0.000 1.039 927 A CA -0.558 51.448 52.037 -0.052 0.000 0.824 927 A CB 1.251 20.232 19.000 -0.031 0.000 1.247 927 A HN 0.416 nan 8.150 nan 0.000 0.394 928 M N 2.656 122.197 119.600 -0.099 0.000 2.061 928 M HA 0.504 4.984 4.480 -0.000 0.000 0.346 928 M C 0.844 176.936 176.300 -0.347 0.000 1.112 928 M CA -0.218 54.938 55.300 -0.239 0.000 1.021 928 M CB 0.562 33.000 32.600 -0.270 0.000 1.530 928 M HN 1.103 nan 8.290 nan 0.000 0.437 929 A N 4.188 126.853 122.820 -0.258 0.000 2.245 929 A HA 0.472 4.792 4.320 -0.000 0.000 0.279 929 A C -0.863 176.567 177.584 -0.255 0.000 1.290 929 A CA 0.450 52.405 52.037 -0.137 0.000 0.819 929 A CB 0.418 19.385 19.000 -0.055 0.000 1.173 929 A HN 0.776 nan 8.150 nan 0.000 0.508 930 Y N -3.068 117.331 120.300 0.165 0.000 2.393 930 Y HA 0.453 5.003 4.550 -0.000 0.000 0.320 930 Y C -1.154 174.930 175.900 0.306 0.000 1.241 930 Y CA -0.412 57.815 58.100 0.211 0.000 1.122 930 Y CB 1.936 40.499 38.460 0.172 0.000 1.322 930 Y HN 0.808 nan 8.280 nan 0.000 0.441 931 F N 4.370 124.510 119.950 0.316 0.000 2.704 931 F HA 0.604 5.131 4.527 -0.000 0.000 0.312 931 F C -1.908 173.986 175.800 0.157 0.000 1.108 931 F CA -0.747 57.363 58.000 0.183 0.000 1.005 931 F CB 1.380 40.460 39.000 0.133 0.000 1.277 931 F HN 0.503 nan 8.300 nan 0.000 0.445 932 R N 3.185 122.959 120.500 -1.210 0.000 2.643 932 R HA 0.800 5.140 4.340 -0.000 0.000 0.269 932 R C -2.220 173.422 176.300 -1.097 0.000 1.037 932 R CA -0.587 55.011 56.100 -0.836 0.000 0.894 932 R CB 2.289 32.373 30.300 -0.359 0.000 1.238 932 R HN 0.823 nan 8.270 nan 0.000 0.459 933 T N 2.873 117.078 114.554 -0.580 0.000 3.087 933 T HA 0.422 4.772 4.350 -0.000 0.000 0.351 933 T C -2.958 171.618 174.700 -0.206 0.000 1.520 933 T CA -1.101 60.807 62.100 -0.320 0.000 1.111 933 T CB 1.967 70.813 68.868 -0.037 0.000 1.353 933 T HN 0.493 nan 8.240 nan 0.000 0.481 934 P HA 0.510 nan 4.420 nan 0.000 0.273 934 P C -0.108 176.970 177.300 -0.371 0.000 1.250 934 P CA 0.226 63.067 63.100 -0.432 0.000 0.793 934 P CB 0.026 31.290 31.700 -0.726 0.000 1.011 935 F N -3.500 116.240 119.950 -0.351 0.000 2.599 935 F HA -0.203 4.324 4.527 -0.000 0.000 0.287 935 F C 0.538 176.189 175.800 -0.248 0.000 0.685 935 F CA -0.210 57.595 58.000 -0.324 0.000 1.610 935 F CB -1.929 36.865 39.000 -0.343 0.000 1.930 935 F HN 0.259 nan 8.300 nan 0.000 0.333 936 A N 1.439 124.215 122.820 -0.074 0.000 2.522 936 A HA 0.216 4.536 4.320 -0.000 0.000 0.285 936 A C 1.256 178.844 177.584 0.006 0.000 1.222 936 A CA 1.626 53.621 52.037 -0.069 0.000 0.931 936 A CB -0.662 18.445 19.000 0.179 0.000 1.003 936 A HN 1.093 nan 8.150 nan 0.000 0.560 937 T N 2.223 116.755 114.554 -0.038 0.000 3.213 937 T HA -0.163 4.187 4.350 -0.000 0.000 0.427 937 T C 0.856 175.546 174.700 -0.016 0.000 0.772 937 T CA 0.935 63.013 62.100 -0.037 0.000 2.150 937 T CB -1.759 67.094 68.868 -0.024 0.000 1.655 937 T HN 2.015 nan 8.240 nan 0.000 0.584 938 G N 3.716 112.507 108.800 -0.015 0.000 2.209 938 G HA2 0.274 4.234 3.960 -0.000 0.000 0.271 938 G HA3 0.274 4.234 3.960 -0.000 0.000 0.271 938 G C 0.010 174.897 174.900 -0.021 0.000 1.111 938 G CA -0.380 44.719 45.100 -0.002 0.000 1.092 938 G HN 0.742 nan 8.290 nan 0.000 0.416 939 N N 0.796 119.491 118.700 -0.008 0.000 2.461 939 N HA 0.613 5.353 4.740 -0.000 0.000 0.284 939 N C -0.819 174.689 175.510 -0.003 0.000 1.049 939 N CA -0.288 52.755 53.050 -0.012 0.000 0.889 939 N CB 2.267 40.747 38.487 -0.011 0.000 1.365 939 N HN 0.686 nan 8.380 nan 0.000 0.499 940 A N 1.634 124.450 122.820 -0.006 0.000 2.491 940 A HA 0.474 4.794 4.320 -0.000 0.000 0.293 940 A C -0.249 177.333 177.584 -0.003 0.000 1.047 940 A CA -0.531 51.505 52.037 -0.001 0.000 0.735 940 A CB 0.755 19.758 19.000 0.004 0.000 1.281 940 A HN 0.271 nan 8.150 nan 0.000 0.398 941 V N 0.000 119.913 119.914 -0.002 0.000 2.409 941 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 941 V CA 0.000 62.298 62.300 -0.004 0.000 1.235 941 V CB 0.000 31.821 31.823 -0.003 0.000 1.184 941 V HN 0.000 nan 8.190 nan 0.000 0.556