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 3k70_1_F DATA FIRST_RESID 1 DATA SEQUENCE MLRVYHSNRL DVLEALMEFI VERERLDDPF EPEMILVQST GMAQWLQMTL DATA SEQUENCE SQKFGIAANI DFPLPASFIW DMFVRVLPEI PKESAFNKQS MSWKLMTLLP DATA SEQUENCE QLLEREDFTL LRHYLTDDSD KRKLFQLSSK AADLFDQYLV YRPDWLAQWE DATA SEQUENCE TGHLVEGLGE AQAWQAPLWK ALVEYTHQLG QPRWHRANLY QRFIETLESA DATA SEQUENCE TTCPPGLPSR VFICGISALP PVYLQALQAL GKHIEIHLLF TNPCRYYWGD DATA SEQUENCE IKDPAYLAKL LTRQRRHSFE DRELPLFRDS ENAGQLFNSD GEQDVGNPLL DATA SEQUENCE ASWGKLGRDY IYLLSDLESS QELDAFVDVT PDNLLHNIQS DILELENRAV DATA SEQUENCE AGVNIEEFSR SDNKRPLDPL DSSITFHVCH SPQREVEVLH DRLLAMLEED DATA SEQUENCE PTLTPRDIIV MVADIDSYSP FIQAVFGSAP ADRYLPYAIS DRRARQSHPV DATA SEQUENCE LEAFISLLSL PDSRFVSEDV LALLDVPVLA ARFDITEEGL RYLRQWVNES DATA SEQUENCE GIRWGIDDDN VRELELPATG QHTWRFGLTR MLLGYAMESA QGEWQSVLPY DATA SEQUENCE DESSGLIAEL VGHLASLLMQ LNIWRRGLAQ ERPLEEWLPV CRDMLNAFFL DATA SEQUENCE PDAETEAAMT LIEQQWQAII AEGLGAQYGD AVPLSLLRDE LAQRLDQERI DATA SEQUENCE SQRFLAGPVN ICTLMPMRSI PFKVVCLLGM NDGVYPRQLA PLGFDLMSQK DATA SEQUENCE PKRGDRSRRD DDRYLFLEAL ISAQQKLYIS YIGRSIQDNS ERFPSVLVQE DATA SEQUENCE LIDYIGQSHY LPGDEALNCD ESEARVKAHL TCLHTRMPFD PQNYQPGERQ DATA SEQUENCE SYAREWLPAA SQAGKAHSEF VQPLPFTLPE TVPLETLQRF WAHPVRAFFQ DATA SEQUENCE MRLQVNFRTE DSEIPDTEPF ILEGLSRYQI NQQLLNALVE QDDAERLFRR DATA SEQUENCE FRAAGDLPYG AFGEIFWETQ CQEMQQLADR VIACRQPGQS MEIDLACNGV DATA SEQUENCE QITGWLPQVQ PDGLLRWRPS LLSVAQGMQL WLEHLVYCAS GGNGESRLFL DATA SEQUENCE RKDGEWRFPP LAAEQALHYL SQLIEGYREG MSAPLLVLPE SGGAWLKTCY DATA SEQUENCE DAQNDAMLDD DSTLQKARTK FLQAYEGNMM VRGEGDDIWY QRLWRQLTPE DATA SEQUENCE TMEAIVEQSQ RFLLPLFRFN Q 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.241 176.300 -0.098 0.000 1.140 1 M CA 0.000 55.246 55.300 -0.089 0.000 0.988 1 M CB 0.000 32.558 32.600 -0.070 0.000 1.302 2 L N 5.185 126.368 121.223 -0.068 0.000 2.352 2 L HA 0.487 4.845 4.340 0.029 0.000 0.272 2 L C -0.630 176.217 176.870 -0.040 0.000 1.109 2 L CA -0.381 54.431 54.840 -0.046 0.000 0.952 2 L CB -0.153 41.898 42.059 -0.014 0.000 1.314 2 L HN 0.716 nan 8.230 nan 0.000 0.427 3 R N 3.473 123.950 120.500 -0.039 0.000 2.340 3 R HA 0.343 4.700 4.340 0.029 0.000 0.300 3 R C -0.741 175.520 176.300 -0.066 0.000 1.069 3 R CA -0.450 55.593 56.100 -0.094 0.000 0.984 3 R CB 1.581 31.875 30.300 -0.009 0.000 1.003 3 R HN 0.302 nan 8.270 nan 0.000 0.459 4 V N 5.346 125.170 119.914 -0.151 0.000 2.350 4 V HA 0.259 4.396 4.120 0.029 0.000 0.285 4 V C -1.003 175.133 176.094 0.070 0.000 1.014 4 V CA -0.801 61.543 62.300 0.073 0.000 0.831 4 V CB 0.805 32.728 31.823 0.167 0.000 1.000 4 V HN 0.529 nan 8.190 nan 0.000 0.433 5 Y N 3.436 123.921 120.300 0.307 0.000 2.353 5 Y HA 0.490 5.057 4.550 0.029 0.000 0.340 5 Y C 0.709 176.764 175.900 0.258 0.000 0.972 5 Y CA -0.724 57.546 58.100 0.284 0.000 1.157 5 Y CB 0.607 39.186 38.460 0.198 0.000 1.157 5 Y HN 0.571 nan 8.280 nan 0.000 0.495 6 H N 1.953 121.106 119.070 0.138 0.000 2.594 6 H HA 0.441 5.015 4.556 0.029 0.000 0.304 6 H C -0.423 174.535 175.328 -0.617 0.000 1.068 6 H CA -0.483 55.506 56.048 -0.098 0.000 1.308 6 H CB 1.823 31.670 29.762 0.142 0.000 1.409 6 H HN 0.594 nan 8.280 nan 0.000 0.460 7 S N 1.667 117.032 115.700 -0.558 0.000 2.634 7 S HA 0.112 4.599 4.470 0.029 0.000 0.296 7 S C 0.860 175.110 174.600 -0.583 0.000 1.104 7 S CA -0.780 57.035 58.200 -0.641 0.000 0.920 7 S CB 1.865 64.907 63.200 -0.262 0.000 1.111 7 S HN 0.695 nan 8.310 nan 0.000 0.493 8 N N 0.869 119.352 118.700 -0.362 0.000 2.251 8 N HA 0.077 4.834 4.740 0.029 0.000 0.181 8 N C -0.102 175.349 175.510 -0.099 0.000 1.019 8 N CA 0.736 53.730 53.050 -0.093 0.000 0.862 8 N CB 0.113 38.620 38.487 0.034 0.000 0.992 8 N HN 0.656 nan 8.380 nan 0.000 0.429 9 R N 0.456 120.892 120.500 -0.107 0.000 2.686 9 R HA 0.226 4.584 4.340 0.029 0.000 0.286 9 R C 0.639 176.887 176.300 -0.088 0.000 0.969 9 R CA -0.657 55.387 56.100 -0.093 0.000 0.898 9 R CB 0.898 31.156 30.300 -0.070 0.000 1.183 9 R HN -0.118 nan 8.270 nan 0.000 0.456 10 L N 1.899 123.056 121.223 -0.110 0.000 2.263 10 L HA -0.222 4.135 4.340 0.029 0.000 0.216 10 L C 0.829 177.726 176.870 0.045 0.000 1.111 10 L CA 2.125 56.909 54.840 -0.092 0.000 0.773 10 L CB -0.467 41.418 42.059 -0.290 0.000 0.906 10 L HN 0.717 nan 8.230 nan 0.000 0.439 11 D N -1.462 118.969 120.400 0.052 0.000 2.078 11 D HA -0.198 4.460 4.640 0.029 0.000 0.193 11 D C 2.240 178.577 176.300 0.062 0.000 0.990 11 D CA 1.705 55.785 54.000 0.133 0.000 0.827 11 D CB -0.335 40.508 40.800 0.071 0.000 0.975 11 D HN 0.179 nan 8.370 nan 0.000 0.451 12 V N 0.720 120.636 119.914 0.004 0.000 2.332 12 V HA -0.217 3.920 4.120 0.029 0.000 0.248 12 V C 2.373 178.452 176.094 -0.025 0.000 1.055 12 V CA 1.303 63.591 62.300 -0.020 0.000 1.038 12 V CB -0.515 31.283 31.823 -0.043 0.000 0.651 12 V HN 0.261 nan 8.190 nan 0.000 0.450 13 L N -0.240 120.973 121.223 -0.017 0.000 2.141 13 L HA -0.121 4.236 4.340 0.029 0.000 0.209 13 L C 2.710 179.574 176.870 -0.010 0.000 1.094 13 L CA 1.367 56.193 54.840 -0.023 0.000 0.763 13 L CB -0.504 41.558 42.059 0.006 0.000 0.908 13 L HN 0.368 nan 8.230 nan 0.000 0.437 14 E N 0.712 120.947 120.200 0.059 0.000 2.152 14 E HA -0.175 4.192 4.350 0.029 0.000 0.192 14 E C 2.099 178.682 176.600 -0.028 0.000 0.983 14 E CA 1.219 57.652 56.400 0.055 0.000 0.818 14 E CB 0.176 29.975 29.700 0.165 0.000 0.758 14 E HN 0.402 nan 8.360 nan 0.000 0.467 15 A N 1.617 124.423 122.820 -0.023 0.000 1.858 15 A HA -0.156 4.181 4.320 0.029 0.000 0.216 15 A C 2.466 180.029 177.584 -0.035 0.000 1.190 15 A CA 1.510 53.522 52.037 -0.042 0.000 0.617 15 A CB -0.905 18.072 19.000 -0.038 0.000 0.827 15 A HN 0.315 nan 8.150 nan 0.000 0.443 16 L N -1.169 120.004 121.223 -0.083 0.000 2.127 16 L HA -0.222 4.135 4.340 0.029 0.000 0.211 16 L C 2.818 179.609 176.870 -0.132 0.000 1.089 16 L CA 1.796 56.532 54.840 -0.173 0.000 0.757 16 L CB -0.560 41.289 42.059 -0.350 0.000 0.899 16 L HN 0.571 nan 8.230 nan 0.000 0.434 17 M N -0.104 119.427 119.600 -0.115 0.000 2.200 17 M HA -0.206 4.291 4.480 0.029 0.000 0.265 17 M C 2.119 178.375 176.300 -0.073 0.000 1.066 17 M CA 1.648 56.856 55.300 -0.154 0.000 1.127 17 M CB 0.036 32.393 32.600 -0.406 0.000 1.379 17 M HN 0.198 nan 8.290 nan 0.000 0.420 18 E N -0.137 120.063 120.200 0.001 0.000 2.077 18 E HA -0.229 4.138 4.350 0.029 0.000 0.193 18 E C 1.814 178.570 176.600 0.261 0.000 0.989 18 E CA 1.703 58.184 56.400 0.136 0.000 0.800 18 E CB -0.236 29.454 29.700 -0.016 0.000 0.746 18 E HN 0.641 nan 8.360 nan 0.000 0.452 19 F N 0.537 120.480 119.950 -0.012 0.000 2.146 19 F HA -0.178 4.366 4.527 0.029 0.000 0.298 19 F C 1.853 177.688 175.800 0.059 0.000 1.096 19 F CA 0.312 58.316 58.000 0.006 0.000 1.275 19 F CB 0.161 39.124 39.000 -0.061 0.000 1.008 19 F HN 0.041 nan 8.300 nan 0.000 0.480 20 I N 0.261 120.892 120.570 0.101 0.000 2.335 20 I HA -0.257 3.930 4.170 0.029 0.000 0.251 20 I C 2.204 178.411 176.117 0.150 0.000 1.129 20 I CA 1.033 62.334 61.300 0.001 0.000 1.402 20 I CB -1.266 36.718 38.000 -0.027 0.000 1.069 20 I HN 0.100 nan 8.210 nan 0.000 0.424 21 V N 0.368 120.425 119.914 0.239 0.000 2.535 21 V HA -0.159 3.978 4.120 0.029 0.000 0.246 21 V C 2.478 178.711 176.094 0.233 0.000 1.045 21 V CA 1.320 63.736 62.300 0.194 0.000 1.058 21 V CB -0.475 31.384 31.823 0.060 0.000 0.689 21 V HN 0.376 nan 8.190 nan 0.000 0.461 22 E N 0.400 120.851 120.200 0.417 0.000 2.106 22 E HA -0.202 4.165 4.350 0.029 0.000 0.192 22 E C 2.235 179.004 176.600 0.281 0.000 0.984 22 E CA 0.881 57.524 56.400 0.406 0.000 0.806 22 E CB 0.063 29.996 29.700 0.389 0.000 0.750 22 E HN 0.474 nan 8.360 nan 0.000 0.458 23 R N 1.242 121.909 120.500 0.278 0.000 2.247 23 R HA -0.135 4.222 4.340 0.029 0.000 0.179 23 R C 0.055 176.424 176.300 0.116 0.000 0.910 23 R CA 1.508 57.712 56.100 0.173 0.000 1.095 23 R CB -0.540 29.769 30.300 0.015 0.000 0.663 23 R HN 0.131 nan 8.270 nan 0.000 0.538 24 E N 2.068 122.315 120.200 0.078 0.000 2.406 24 E HA -0.065 4.303 4.350 0.029 0.000 0.247 24 E C 0.488 177.132 176.600 0.073 0.000 1.160 24 E CA -0.229 56.212 56.400 0.068 0.000 0.950 24 E CB 0.385 30.121 29.700 0.059 0.000 0.993 24 E HN 0.257 nan 8.360 nan 0.000 0.472 25 R N 1.908 122.448 120.500 0.066 0.000 2.294 25 R HA -0.165 4.192 4.340 0.029 0.000 0.250 25 R C 0.641 176.964 176.300 0.039 0.000 1.181 25 R CA 0.803 56.936 56.100 0.054 0.000 1.016 25 R CB -1.136 29.192 30.300 0.046 0.000 0.869 25 R HN 0.814 nan 8.270 nan 0.000 0.476 26 L N -0.737 120.512 121.223 0.044 0.000 0.588 26 L HA -0.252 4.105 4.340 0.029 0.000 0.356 26 L C 0.218 177.105 176.870 0.028 0.000 0.998 26 L CA 0.831 55.695 54.840 0.040 0.000 1.223 26 L CB -0.241 41.842 42.059 0.039 0.000 0.010 26 L HN 0.157 nan 8.230 nan 0.000 0.092 27 D N 0.817 121.233 120.400 0.025 0.000 2.025 27 D HA 0.224 4.881 4.640 0.029 0.000 0.270 27 D C 0.544 176.852 176.300 0.013 0.000 1.135 27 D CA 1.122 55.131 54.000 0.014 0.000 0.978 27 D CB 0.333 41.140 40.800 0.010 0.000 1.178 27 D HN 0.913 nan 8.370 nan 0.000 0.487 28 D N -2.851 117.551 120.400 0.004 0.000 2.788 28 D HA 0.006 4.663 4.640 0.029 0.000 0.447 28 D C -2.295 173.997 176.300 -0.014 0.000 1.215 28 D CA -0.340 53.667 54.000 0.013 0.000 1.028 28 D CB -0.929 39.877 40.800 0.009 0.000 1.694 28 D HN 0.159 nan 8.370 nan 0.000 0.352 29 P HA 0.164 nan 4.420 nan 0.000 0.238 29 P C -0.148 177.095 177.300 -0.095 0.000 1.714 29 P CA 0.008 62.981 63.100 -0.212 0.000 0.908 29 P CB -1.277 30.334 31.700 -0.149 0.000 1.893 30 F N -2.252 117.701 119.950 0.006 0.000 2.988 30 F HA -0.197 4.347 4.527 0.029 0.000 0.287 30 F C 0.662 176.467 175.800 0.008 0.000 0.781 30 F CA -0.184 57.820 58.000 0.006 0.000 1.221 30 F CB -1.567 37.439 39.000 0.010 0.000 1.392 30 F HN 0.234 nan 8.300 nan 0.000 0.425 31 E N 2.428 122.727 120.200 0.166 0.000 2.217 31 E HA 0.170 4.538 4.350 0.029 0.000 0.279 31 E C -2.175 174.474 176.600 0.082 0.000 1.068 31 E CA -1.687 54.774 56.400 0.103 0.000 0.882 31 E CB 0.786 30.525 29.700 0.065 0.000 1.039 31 E HN -0.082 nan 8.360 nan 0.000 0.418 32 P HA 0.033 nan 4.420 nan 0.000 0.276 32 P C -0.850 176.462 177.300 0.019 0.000 1.253 32 P CA -0.149 62.970 63.100 0.032 0.000 0.766 32 P CB 0.636 32.354 31.700 0.029 0.000 0.845 33 E N 3.667 123.863 120.200 -0.007 0.000 2.414 33 E HA 0.101 4.468 4.350 0.029 0.000 0.263 33 E C -0.568 176.013 176.600 -0.031 0.000 1.000 33 E CA 0.564 56.968 56.400 0.007 0.000 0.914 33 E CB 0.206 29.885 29.700 -0.035 0.000 0.948 33 E HN 0.328 nan 8.360 nan 0.000 0.444 34 M N 4.892 124.516 119.600 0.041 0.000 2.364 34 M HA 0.432 4.930 4.480 0.029 0.000 0.334 34 M C -0.750 175.567 176.300 0.028 0.000 1.107 34 M CA -0.578 54.717 55.300 -0.009 0.000 0.988 34 M CB 1.282 33.908 32.600 0.044 0.000 1.673 34 M HN 0.442 nan 8.290 nan 0.000 0.441 35 I N 4.597 125.088 120.570 -0.132 0.000 2.531 35 I HA 0.302 4.490 4.170 0.029 0.000 0.283 35 I C -0.656 175.446 176.117 -0.026 0.000 1.083 35 I CA -0.548 60.722 61.300 -0.051 0.000 1.071 35 I CB 1.545 39.455 38.000 -0.150 0.000 1.210 35 I HN 0.562 nan 8.210 nan 0.000 0.450 36 L N 6.099 127.299 121.223 -0.039 0.000 2.462 36 L HA 0.388 4.746 4.340 0.029 0.000 0.272 36 L C -0.131 176.798 176.870 0.098 0.000 1.166 36 L CA 0.148 54.972 54.840 -0.028 0.000 0.880 36 L CB 1.032 42.997 42.059 -0.156 0.000 1.142 36 L HN 0.365 nan 8.230 nan 0.000 0.473 37 V N 3.791 123.795 119.914 0.151 0.000 3.114 37 V HA 0.243 4.380 4.120 0.029 0.000 0.308 37 V C -0.337 175.829 176.094 0.120 0.000 1.168 37 V CA -0.323 62.081 62.300 0.172 0.000 1.015 37 V CB 2.628 34.618 31.823 0.279 0.000 1.050 37 V HN 0.874 nan 8.190 nan 0.000 0.433 38 Q N 1.926 121.779 119.800 0.088 0.000 2.155 38 Q HA 0.478 4.836 4.340 0.029 0.000 0.273 38 Q C -0.662 175.359 176.000 0.035 0.000 0.857 38 Q CA 0.168 56.007 55.803 0.060 0.000 1.116 38 Q CB 1.178 29.945 28.738 0.049 0.000 1.209 38 Q HN 0.817 nan 8.270 nan 0.000 0.460 39 S N -2.620 113.094 115.700 0.024 0.000 2.596 39 S HA 0.024 4.511 4.470 0.029 0.000 0.305 39 S C 0.698 175.271 174.600 -0.046 0.000 1.086 39 S CA -0.085 58.104 58.200 -0.018 0.000 0.909 39 S CB 0.539 63.720 63.200 -0.032 0.000 1.106 39 S HN 0.273 nan 8.310 nan 0.000 0.450 40 T N 1.567 116.079 114.554 -0.070 0.000 2.685 40 T HA -0.105 4.262 4.350 0.029 0.000 0.268 40 T C 2.136 176.782 174.700 -0.090 0.000 1.034 40 T CA 2.405 64.447 62.100 -0.097 0.000 1.149 40 T CB -1.503 67.318 68.868 -0.078 0.000 0.860 40 T HN 1.418 nan 8.240 nan 0.000 0.449 41 G N 1.830 110.564 108.800 -0.109 0.000 2.529 41 G HA2 -0.257 3.721 3.960 0.029 0.000 0.219 41 G HA3 -0.257 3.721 3.960 0.029 0.000 0.219 41 G C 1.655 176.644 174.900 0.148 0.000 1.177 41 G CA 1.418 46.494 45.100 -0.041 0.000 0.773 41 G HN 0.378 nan 8.290 nan 0.000 0.573 42 M N 1.087 120.738 119.600 0.085 0.000 2.082 42 M HA -0.114 4.384 4.480 0.029 0.000 0.258 42 M C 3.126 179.482 176.300 0.095 0.000 1.071 42 M CA 1.695 57.091 55.300 0.160 0.000 1.103 42 M CB -1.444 31.230 32.600 0.124 0.000 1.307 42 M HN 0.352 nan 8.290 nan 0.000 0.409 43 A N -0.280 122.428 122.820 -0.186 0.000 1.927 43 A HA -0.270 4.067 4.320 0.029 0.000 0.220 43 A C 2.054 179.367 177.584 -0.452 0.000 1.185 43 A CA 2.188 53.735 52.037 -0.817 0.000 0.639 43 A CB -0.851 17.452 19.000 -1.161 0.000 0.820 43 A HN 0.693 nan 8.150 nan 0.000 0.451 44 Q N -2.605 117.109 119.800 -0.144 0.000 2.083 44 Q HA -0.185 4.172 4.340 0.029 0.000 0.198 44 Q C 1.962 178.007 176.000 0.075 0.000 0.969 44 Q CA 1.458 57.259 55.803 -0.004 0.000 0.838 44 Q CB -0.262 28.553 28.738 0.128 0.000 0.900 44 Q HN 0.877 nan 8.270 nan 0.000 0.436 45 W N 1.421 122.729 121.300 0.015 0.000 2.338 45 W HA -0.172 4.505 4.660 0.029 0.000 0.304 45 W C 1.513 178.025 176.519 -0.011 0.000 1.212 45 W CA 1.333 58.678 57.345 -0.000 0.000 1.264 45 W CB -0.227 29.247 29.460 0.022 0.000 1.142 45 W HN 0.033 nan 8.180 nan 0.000 0.512 46 L N -0.026 121.229 121.223 0.053 0.000 1.988 46 L HA -0.274 4.083 4.340 0.029 0.000 0.207 46 L C 2.751 179.558 176.870 -0.106 0.000 1.071 46 L CA 1.745 56.544 54.840 -0.068 0.000 0.744 46 L CB -1.314 40.873 42.059 0.213 0.000 0.893 46 L HN 0.022 nan 8.230 nan 0.000 0.433 47 Q N -0.452 119.353 119.800 0.009 0.000 2.096 47 Q HA -0.290 4.067 4.340 0.029 0.000 0.208 47 Q C 2.260 178.218 176.000 -0.069 0.000 0.993 47 Q CA 2.134 57.952 55.803 0.024 0.000 0.862 47 Q CB -0.223 28.530 28.738 0.026 0.000 0.915 47 Q HN 0.542 nan 8.270 nan 0.000 0.416 48 M N -0.721 118.796 119.600 -0.137 0.000 2.123 48 M HA -0.116 4.381 4.480 0.029 0.000 0.263 48 M C 2.288 178.439 176.300 -0.248 0.000 1.069 48 M CA 1.353 56.553 55.300 -0.167 0.000 1.133 48 M CB -0.382 32.118 32.600 -0.167 0.000 1.356 48 M HN 0.127 nan 8.290 nan 0.000 0.415 49 T N 1.631 115.916 114.554 -0.448 0.000 2.699 49 T HA -0.127 4.240 4.350 0.029 0.000 0.268 49 T C 1.852 176.383 174.700 -0.281 0.000 1.036 49 T CA 1.265 63.051 62.100 -0.522 0.000 1.147 49 T CB -0.348 67.929 68.868 -0.984 0.000 0.862 49 T HN 0.306 nan 8.240 nan 0.000 0.446 50 L N 1.308 122.418 121.223 -0.189 0.000 2.109 50 L HA -0.058 4.299 4.340 0.029 0.000 0.207 50 L C 2.910 179.822 176.870 0.070 0.000 1.086 50 L CA 1.331 56.167 54.840 -0.006 0.000 0.760 50 L CB -0.696 41.364 42.059 0.002 0.000 0.910 50 L HN 0.395 nan 8.230 nan 0.000 0.437 51 S N -0.822 114.875 115.700 -0.004 0.000 2.419 51 S HA -0.223 4.264 4.470 0.029 0.000 0.233 51 S C 1.739 176.347 174.600 0.014 0.000 1.016 51 S CA 0.962 59.171 58.200 0.016 0.000 0.974 51 S CB -0.147 63.043 63.200 -0.016 0.000 0.786 51 S HN 0.485 nan 8.310 nan 0.000 0.492 52 Q N 1.090 120.867 119.800 -0.038 0.000 1.937 52 Q HA 0.130 4.487 4.340 0.029 0.000 0.198 52 Q C 1.114 177.069 176.000 -0.074 0.000 0.977 52 Q CA 1.053 56.818 55.803 -0.064 0.000 0.836 52 Q CB -0.179 28.493 28.738 -0.110 0.000 0.899 52 Q HN 0.351 nan 8.270 nan 0.000 0.437 53 K N -0.045 120.275 120.400 -0.133 0.000 2.942 53 K HA -0.063 4.274 4.320 0.029 0.000 0.249 53 K C -0.355 175.966 176.600 -0.465 0.000 0.911 53 K CA 0.677 56.797 56.287 -0.279 0.000 1.100 53 K CB -0.089 32.211 32.500 -0.334 0.000 0.952 53 K HN 0.156 nan 8.250 nan 0.000 0.467 54 F N -2.900 117.010 119.950 -0.067 0.000 2.841 54 F HA 0.148 4.693 4.527 0.029 0.000 0.410 54 F C 1.346 177.123 175.800 -0.038 0.000 0.898 54 F CA 0.250 58.221 58.000 -0.048 0.000 0.967 54 F CB 0.729 39.699 39.000 -0.049 0.000 1.227 54 F HN 0.096 nan 8.300 nan 0.000 0.570 55 G N 1.809 110.683 108.800 0.123 0.000 2.176 55 G HA2 -0.253 3.724 3.960 0.029 0.000 0.253 55 G HA3 -0.253 3.724 3.960 0.029 0.000 0.253 55 G C 0.109 175.043 174.900 0.056 0.000 0.979 55 G CA 0.316 45.455 45.100 0.065 0.000 0.641 55 G HN 0.520 nan 8.290 nan 0.000 0.530 56 I N -1.305 119.309 120.570 0.074 0.000 2.526 56 I HA 0.517 4.704 4.170 0.029 0.000 0.305 56 I C -1.579 174.543 176.117 0.009 0.000 1.951 56 I CA -0.261 61.058 61.300 0.031 0.000 0.938 56 I CB 1.149 39.159 38.000 0.017 0.000 1.543 56 I HN 1.053 nan 8.210 nan 0.000 0.609 57 A N 4.635 127.452 122.820 -0.005 0.000 2.385 57 A HA 0.897 5.234 4.320 0.029 0.000 0.290 57 A C -0.298 177.283 177.584 -0.007 0.000 1.094 57 A CA 0.375 52.400 52.037 -0.020 0.000 0.729 57 A CB 1.537 20.539 19.000 0.003 0.000 1.194 57 A HN 1.129 nan 8.150 nan 0.000 0.442 58 A N 2.217 125.024 122.820 -0.021 0.000 2.042 58 A HA 0.212 4.550 4.320 0.029 0.000 0.204 58 A C 1.523 179.104 177.584 -0.005 0.000 1.712 58 A CA 0.867 52.898 52.037 -0.010 0.000 0.890 58 A CB -0.348 18.641 19.000 -0.018 0.000 1.176 58 A HN 0.729 nan 8.150 nan 0.000 0.573 59 N N -0.442 118.247 118.700 -0.020 0.000 2.081 59 N HA 0.021 4.778 4.740 0.029 0.000 0.191 59 N C -0.465 175.028 175.510 -0.029 0.000 1.053 59 N CA 0.910 53.949 53.050 -0.018 0.000 0.846 59 N CB -0.269 38.213 38.487 -0.009 0.000 1.032 59 N HN 0.311 nan 8.380 nan 0.000 0.431 60 I N 2.321 122.838 120.570 -0.088 0.000 2.803 60 I HA -0.262 3.925 4.170 0.029 0.000 0.126 60 I C -0.842 175.088 176.117 -0.312 0.000 0.890 60 I CA 0.789 61.944 61.300 -0.243 0.000 2.783 60 I CB -0.538 37.276 38.000 -0.310 0.000 0.619 60 I HN 0.181 nan 8.210 nan 0.000 0.351 61 D N 6.477 126.666 120.400 -0.352 0.000 2.185 61 D HA 0.539 5.196 4.640 0.029 0.000 0.247 61 D C -0.066 175.975 176.300 -0.431 0.000 1.027 61 D CA -0.199 53.676 54.000 -0.209 0.000 0.861 61 D CB 0.832 41.607 40.800 -0.041 0.000 1.202 61 D HN 0.323 nan 8.370 nan 0.000 0.453 62 F N 0.929 120.911 119.950 0.054 0.000 2.831 62 F HA 0.293 4.838 4.527 0.029 0.000 0.355 62 F C -2.017 173.816 175.800 0.055 0.000 1.341 62 F CA -1.652 56.379 58.000 0.051 0.000 1.201 62 F CB 0.454 39.482 39.000 0.046 0.000 1.058 62 F HN -0.041 nan 8.300 nan 0.000 0.514 63 P HA -0.012 nan 4.420 nan 0.000 0.265 63 P C 0.144 177.523 177.300 0.133 0.000 1.187 63 P CA 0.243 63.434 63.100 0.152 0.000 0.766 63 P CB 0.774 32.585 31.700 0.184 0.000 0.820 64 L N 5.251 126.543 121.223 0.114 0.000 2.464 64 L HA 0.126 4.483 4.340 0.029 0.000 0.264 64 L C -1.146 175.767 176.870 0.073 0.000 1.199 64 L CA -1.627 53.267 54.840 0.089 0.000 0.818 64 L CB 0.038 42.143 42.059 0.076 0.000 1.102 64 L HN 0.319 nan 8.230 nan 0.000 0.473 65 P HA -0.255 nan 4.420 nan 0.000 0.211 65 P C 1.404 178.611 177.300 -0.155 0.000 1.181 65 P CA 1.907 64.995 63.100 -0.020 0.000 0.929 65 P CB 0.101 31.816 31.700 0.025 0.000 0.789 66 A N -0.766 121.972 122.820 -0.137 0.000 1.940 66 A HA -0.290 4.047 4.320 0.029 0.000 0.221 66 A C 2.502 180.019 177.584 -0.112 0.000 1.190 66 A CA 2.674 54.614 52.037 -0.161 0.000 0.647 66 A CB -1.812 17.258 19.000 0.117 0.000 0.821 66 A HN 0.275 nan 8.150 nan 0.000 0.457 67 S N -2.442 113.248 115.700 -0.016 0.000 2.489 67 S HA -0.003 4.484 4.470 0.029 0.000 0.228 67 S C 1.478 176.096 174.600 0.031 0.000 0.995 67 S CA 0.965 59.177 58.200 0.019 0.000 0.934 67 S CB -0.497 62.733 63.200 0.050 0.000 0.771 67 S HN 0.574 nan 8.310 nan 0.000 0.522 68 F N 2.260 122.129 119.950 -0.135 0.000 2.123 68 F HA 0.128 4.672 4.527 0.029 0.000 0.289 68 F C 1.756 177.405 175.800 -0.250 0.000 1.099 68 F CA 0.883 58.801 58.000 -0.136 0.000 1.234 68 F CB -0.484 38.445 39.000 -0.118 0.000 1.034 68 F HN 0.102 nan 8.300 nan 0.000 0.479 69 I N 0.490 120.791 120.570 -0.448 0.000 2.113 69 I HA -0.387 3.800 4.170 0.029 0.000 0.242 69 I C 2.456 177.853 176.117 -1.199 0.000 1.057 69 I CA 1.693 62.500 61.300 -0.821 0.000 1.314 69 I CB -1.915 35.562 38.000 -0.873 0.000 1.022 69 I HN 0.519 nan 8.210 nan 0.000 0.408 70 W N 2.188 122.883 121.300 -1.008 0.000 2.425 70 W HA -0.228 4.449 4.660 0.029 0.000 0.277 70 W C 2.238 178.469 176.519 -0.480 0.000 1.231 70 W CA 1.827 58.670 57.345 -0.836 0.000 1.248 70 W CB -0.371 28.853 29.460 -0.394 0.000 1.117 70 W HN 0.294 nan 8.180 nan 0.000 0.568 71 D N 0.423 120.680 120.400 -0.239 0.000 2.104 71 D HA -0.231 4.426 4.640 0.029 0.000 0.194 71 D C 2.161 178.291 176.300 -0.284 0.000 0.994 71 D CA 1.978 55.876 54.000 -0.171 0.000 0.830 71 D CB -0.386 40.301 40.800 -0.189 0.000 0.959 71 D HN -0.060 nan 8.370 nan 0.000 0.452 72 M N -0.332 118.971 119.600 -0.495 0.000 2.117 72 M HA -0.095 4.403 4.480 0.029 0.000 0.262 72 M C 2.498 178.727 176.300 -0.118 0.000 1.065 72 M CA 0.977 56.093 55.300 -0.306 0.000 1.114 72 M CB -1.596 30.796 32.600 -0.346 0.000 1.361 72 M HN 0.152 nan 8.290 nan 0.000 0.408 73 F N 0.237 119.813 119.950 -0.624 0.000 2.087 73 F HA -0.292 4.252 4.527 0.029 0.000 0.299 73 F C 2.481 178.014 175.800 -0.445 0.000 1.100 73 F CA 0.930 58.537 58.000 -0.654 0.000 1.226 73 F CB -0.593 37.791 39.000 -1.027 0.000 0.983 73 F HN -0.050 nan 8.300 nan 0.000 0.479 74 V N 0.178 119.963 119.914 -0.214 0.000 2.392 74 V HA -0.298 3.839 4.120 0.029 0.000 0.249 74 V C 2.166 178.223 176.094 -0.060 0.000 1.059 74 V CA 1.801 64.031 62.300 -0.116 0.000 1.051 74 V CB -0.671 31.141 31.823 -0.019 0.000 0.658 74 V HN 0.304 nan 8.190 nan 0.000 0.455 75 R N -0.500 119.971 120.500 -0.048 0.000 2.056 75 R HA -0.066 4.292 4.340 0.029 0.000 0.227 75 R C 2.256 178.546 176.300 -0.017 0.000 1.149 75 R CA 1.412 57.499 56.100 -0.021 0.000 0.937 75 R CB -0.729 29.561 30.300 -0.017 0.000 0.835 75 R HN 0.373 nan 8.270 nan 0.000 0.430 76 V N 2.555 122.487 119.914 0.028 0.000 2.222 76 V HA -0.176 3.962 4.120 0.029 0.000 0.240 76 V C 1.684 177.741 176.094 -0.062 0.000 1.040 76 V CA 1.333 63.635 62.300 0.004 0.000 0.988 76 V CB -0.492 31.397 31.823 0.110 0.000 0.633 76 V HN 0.166 nan 8.190 nan 0.000 0.452 77 L N 1.880 123.054 121.223 -0.082 0.000 2.489 77 L HA 0.108 4.465 4.340 0.029 0.000 0.285 77 L C -1.936 174.841 176.870 -0.156 0.000 1.259 77 L CA -0.942 53.789 54.840 -0.183 0.000 0.828 77 L CB -0.591 41.268 42.059 -0.333 0.000 1.094 77 L HN 0.254 nan 8.230 nan 0.000 0.524 78 P HA 0.077 nan 4.420 nan 0.000 0.287 78 P C -0.880 176.389 177.300 -0.051 0.000 1.294 78 P CA -0.263 62.785 63.100 -0.086 0.000 0.776 78 P CB 0.915 32.573 31.700 -0.070 0.000 0.889 79 E N 1.995 122.193 120.200 -0.002 0.000 2.452 79 E HA -0.146 4.221 4.350 0.029 0.000 0.155 79 E C -0.230 176.434 176.600 0.106 0.000 1.746 79 E CA 0.352 56.789 56.400 0.062 0.000 0.636 79 E CB -0.617 29.143 29.700 0.099 0.000 1.069 79 E HN 0.428 nan 8.360 nan 0.000 0.335 80 I N 2.963 123.566 120.570 0.056 0.000 2.378 80 I HA 0.287 4.474 4.170 0.029 0.000 0.291 80 I C -1.499 174.756 176.117 0.231 0.000 0.992 80 I CA -2.431 58.926 61.300 0.096 0.000 1.154 80 I CB 0.883 38.792 38.000 -0.151 0.000 1.315 80 I HN 0.078 nan 8.210 nan 0.000 0.448 81 P HA 0.135 nan 4.420 nan 0.000 0.271 81 P C -0.653 176.918 177.300 0.452 0.000 1.216 81 P CA -0.414 62.895 63.100 0.349 0.000 0.771 81 P CB 0.683 32.590 31.700 0.345 0.000 0.864 82 K N 2.416 123.008 120.400 0.320 0.000 2.448 82 K HA 0.062 4.400 4.320 0.029 0.000 0.278 82 K C 0.333 177.082 176.600 0.248 0.000 1.009 82 K CA 0.127 56.611 56.287 0.329 0.000 0.995 82 K CB 0.098 32.709 32.500 0.185 0.000 0.917 82 K HN 0.474 nan 8.250 nan 0.000 0.481 83 E N 1.177 121.431 120.200 0.090 0.000 7.387 83 E HA -0.177 4.190 4.350 0.029 0.000 0.318 83 E C -0.705 175.777 176.600 -0.198 0.000 0.824 83 E CA 0.132 56.391 56.400 -0.235 0.000 1.347 83 E CB -0.185 29.470 29.700 -0.075 0.000 0.927 83 E HN 0.715 nan 8.360 nan 0.000 0.269 84 S N 1.981 117.274 115.700 -0.680 0.000 2.576 84 S HA 0.336 4.823 4.470 0.029 0.000 0.272 84 S C 1.090 175.732 174.600 0.069 0.000 1.352 84 S CA 0.536 58.596 58.200 -0.234 0.000 1.021 84 S CB 1.159 64.079 63.200 -0.467 0.000 0.887 84 S HN 0.630 nan 8.310 nan 0.000 0.542 85 A N 2.729 125.722 122.820 0.287 0.000 2.307 85 A HA 0.386 4.723 4.320 0.029 0.000 0.218 85 A C 0.534 178.123 177.584 0.010 0.000 1.228 85 A CA -0.144 51.969 52.037 0.125 0.000 0.857 85 A CB -0.439 18.611 19.000 0.083 0.000 0.897 85 A HN 0.771 nan 8.150 nan 0.000 0.495 86 F N 1.088 121.125 119.950 0.145 0.000 2.698 86 F HA 0.148 4.692 4.527 0.029 0.000 0.304 86 F C 0.938 176.838 175.800 0.167 0.000 1.108 86 F CA -0.844 57.278 58.000 0.203 0.000 1.263 86 F CB 0.214 39.404 39.000 0.317 0.000 1.013 86 F HN 0.339 nan 8.300 nan 0.000 0.532 87 N N 1.388 120.204 118.700 0.193 0.000 2.454 87 N HA -0.059 4.699 4.740 0.029 0.000 0.254 87 N C 1.252 176.856 175.510 0.157 0.000 1.228 87 N CA -0.104 53.018 53.050 0.119 0.000 0.900 87 N CB 0.997 39.498 38.487 0.023 0.000 1.089 87 N HN 0.260 nan 8.380 nan 0.000 0.449 88 K N 1.727 122.214 120.400 0.145 0.000 2.148 88 K HA -0.358 3.980 4.320 0.029 0.000 0.213 88 K C 1.254 177.925 176.600 0.119 0.000 1.050 88 K CA 2.296 58.663 56.287 0.133 0.000 0.932 88 K CB 0.018 32.568 32.500 0.083 0.000 0.717 88 K HN 0.629 nan 8.250 nan 0.000 0.462 89 Q N 0.405 120.277 119.800 0.120 0.000 1.889 89 Q HA -0.132 4.225 4.340 0.029 0.000 0.211 89 Q C 2.259 178.414 176.000 0.260 0.000 0.988 89 Q CA 2.425 58.327 55.803 0.165 0.000 0.861 89 Q CB -0.583 28.259 28.738 0.172 0.000 0.922 89 Q HN 0.520 nan 8.270 nan 0.000 0.425 90 S N 0.491 116.340 115.700 0.249 0.000 2.400 90 S HA -0.285 4.203 4.470 0.029 0.000 0.234 90 S C 1.950 176.707 174.600 0.262 0.000 1.049 90 S CA 1.691 60.053 58.200 0.270 0.000 1.039 90 S CB -0.521 62.752 63.200 0.120 0.000 0.856 90 S HN 0.240 nan 8.310 nan 0.000 0.465 91 M N 1.662 121.384 119.600 0.203 0.000 2.082 91 M HA -0.117 4.380 4.480 0.029 0.000 0.258 91 M C 2.612 179.041 176.300 0.215 0.000 1.069 91 M CA 1.747 57.183 55.300 0.227 0.000 1.102 91 M CB -1.184 31.598 32.600 0.304 0.000 1.336 91 M HN 0.408 nan 8.290 nan 0.000 0.404 92 S N -0.312 115.457 115.700 0.114 0.000 2.374 92 S HA -0.194 4.294 4.470 0.029 0.000 0.227 92 S C 1.373 175.942 174.600 -0.051 0.000 1.037 92 S CA 1.528 59.688 58.200 -0.068 0.000 1.024 92 S CB -0.444 62.576 63.200 -0.300 0.000 0.861 92 S HN 0.495 nan 8.310 nan 0.000 0.456 93 W N 1.627 122.997 121.300 0.117 0.000 2.380 93 W HA 0.029 4.706 4.660 0.029 0.000 0.317 93 W C 2.496 179.139 176.519 0.205 0.000 1.196 93 W CA 0.583 57.990 57.345 0.103 0.000 1.307 93 W CB -0.373 29.125 29.460 0.063 0.000 1.157 93 W HN 0.142 nan 8.180 nan 0.000 0.483 94 K N 0.247 120.927 120.400 0.468 0.000 2.113 94 K HA -0.198 4.140 4.320 0.029 0.000 0.208 94 K C 1.839 178.663 176.600 0.374 0.000 1.047 94 K CA 1.414 57.991 56.287 0.482 0.000 0.928 94 K CB -0.732 31.993 32.500 0.374 0.000 0.716 94 K HN 0.246 nan 8.250 nan 0.000 0.446 95 L N 0.332 121.733 121.223 0.296 0.000 2.362 95 L HA -0.097 4.260 4.340 0.029 0.000 0.219 95 L C 2.427 179.410 176.870 0.189 0.000 1.134 95 L CA 0.553 55.543 54.840 0.250 0.000 0.807 95 L CB -0.110 42.096 42.059 0.246 0.000 0.927 95 L HN 0.295 nan 8.230 nan 0.000 0.447 96 M N -0.759 118.963 119.600 0.202 0.000 2.388 96 M HA -0.104 4.393 4.480 0.029 0.000 0.265 96 M C 1.984 178.444 176.300 0.268 0.000 1.088 96 M CA 1.396 56.818 55.300 0.202 0.000 1.134 96 M CB 0.117 32.811 32.600 0.157 0.000 1.384 96 M HN 0.200 nan 8.290 nan 0.000 0.447 97 T N -1.310 113.418 114.554 0.290 0.000 3.054 97 T HA 0.108 4.475 4.350 0.029 0.000 0.259 97 T C 1.637 176.307 174.700 -0.050 0.000 1.092 97 T CA 0.411 62.598 62.100 0.143 0.000 1.121 97 T CB -0.244 68.681 68.868 0.095 0.000 0.912 97 T HN 0.334 nan 8.240 nan 0.000 0.489 98 L N 0.150 121.347 121.223 -0.044 0.000 2.121 98 L HA 0.224 4.581 4.340 0.029 0.000 0.200 98 L C 2.610 179.456 176.870 -0.041 0.000 1.077 98 L CA 0.581 55.366 54.840 -0.093 0.000 0.766 98 L CB -0.752 41.292 42.059 -0.025 0.000 0.931 98 L HN 0.145 nan 8.230 nan 0.000 0.452 99 L N 0.590 121.837 121.223 0.040 0.000 2.030 99 L HA -0.245 4.112 4.340 0.029 0.000 0.222 99 L C -0.125 176.721 176.870 -0.041 0.000 1.082 99 L CA 2.035 56.895 54.840 0.034 0.000 0.785 99 L CB -2.004 40.108 42.059 0.090 0.000 0.895 99 L HN 0.258 nan 8.230 nan 0.000 0.439 100 P HA -0.220 nan 4.420 nan 0.000 0.216 100 P C 1.257 178.511 177.300 -0.077 0.000 1.150 100 P CA 1.656 64.737 63.100 -0.031 0.000 0.843 100 P CB -0.017 31.681 31.700 -0.002 0.000 0.787 101 Q N -0.598 119.138 119.800 -0.107 0.000 2.096 101 Q HA 0.050 4.407 4.340 0.029 0.000 0.197 101 Q C 2.443 178.320 176.000 -0.205 0.000 0.964 101 Q CA 0.718 56.441 55.803 -0.132 0.000 0.838 101 Q CB -0.451 28.208 28.738 -0.132 0.000 0.906 101 Q HN 0.259 nan 8.270 nan 0.000 0.444 102 L N 0.923 121.961 121.223 -0.308 0.000 2.549 102 L HA -0.033 4.324 4.340 0.029 0.000 0.229 102 L C 0.920 177.350 176.870 -0.734 0.000 1.158 102 L CA 0.115 54.572 54.840 -0.637 0.000 0.842 102 L CB -0.170 41.322 42.059 -0.945 0.000 0.952 102 L HN 0.181 nan 8.230 nan 0.000 0.452 103 L N 0.091 121.106 121.223 -0.347 0.000 2.475 103 L HA 0.008 4.365 4.340 0.029 0.000 0.250 103 L C 1.016 177.823 176.870 -0.105 0.000 1.224 103 L CA -0.067 54.675 54.840 -0.163 0.000 0.821 103 L CB 0.110 42.135 42.059 -0.056 0.000 1.141 103 L HN 0.305 nan 8.230 nan 0.000 0.494 104 E N -0.570 119.623 120.200 -0.011 0.000 2.252 104 E HA -0.270 4.097 4.350 0.029 0.000 0.218 104 E C 0.179 176.779 176.600 -0.000 0.000 1.253 104 E CA 0.899 57.306 56.400 0.011 0.000 0.705 104 E CB -0.985 28.713 29.700 -0.004 0.000 1.172 104 E HN 0.639 nan 8.360 nan 0.000 0.369 105 R N 0.420 120.940 120.500 0.034 0.000 2.453 105 R HA 0.050 4.408 4.340 0.029 0.000 0.233 105 R C 1.044 177.405 176.300 0.102 0.000 0.895 105 R CA 0.710 56.845 56.100 0.058 0.000 1.028 105 R CB 0.341 30.684 30.300 0.072 0.000 1.255 105 R HN 0.421 nan 8.270 nan 0.000 0.571 106 E N -0.572 119.691 120.200 0.104 0.000 4.484 106 E HA -0.254 4.113 4.350 0.029 0.000 0.162 106 E C 0.548 177.202 176.600 0.090 0.000 0.911 106 E CA 1.819 58.264 56.400 0.075 0.000 2.591 106 E CB -1.690 28.045 29.700 0.058 0.000 1.589 106 E HN 0.180 nan 8.360 nan 0.000 0.602 107 D N -0.535 119.970 120.400 0.175 0.000 2.078 107 D HA -0.054 4.603 4.640 0.029 0.000 0.193 107 D C 1.292 177.659 176.300 0.112 0.000 0.990 107 D CA 1.758 55.861 54.000 0.170 0.000 0.827 107 D CB -0.314 40.694 40.800 0.347 0.000 0.975 107 D HN 0.325 nan 8.370 nan 0.000 0.451 108 F N 0.819 120.763 119.950 -0.011 0.000 2.693 108 F HA 0.118 4.662 4.527 0.029 0.000 0.303 108 F C 2.123 177.831 175.800 -0.152 0.000 1.143 108 F CA 0.077 58.027 58.000 -0.083 0.000 1.389 108 F CB -0.702 38.262 39.000 -0.060 0.000 1.060 108 F HN -0.188 nan 8.300 nan 0.000 0.535 109 T N 0.343 114.903 114.554 0.011 0.000 2.737 109 T HA -0.239 4.129 4.350 0.029 0.000 0.269 109 T C 2.344 176.824 174.700 -0.368 0.000 1.040 109 T CA 1.223 63.235 62.100 -0.146 0.000 1.142 109 T CB -0.295 68.482 68.868 -0.152 0.000 0.861 109 T HN 0.350 nan 8.240 nan 0.000 0.456 110 L N 0.261 121.299 121.223 -0.307 0.000 2.083 110 L HA -0.051 4.306 4.340 0.029 0.000 0.209 110 L C 2.275 178.962 176.870 -0.305 0.000 1.083 110 L CA 1.341 55.977 54.840 -0.340 0.000 0.752 110 L CB -0.277 41.587 42.059 -0.324 0.000 0.899 110 L HN 0.335 nan 8.230 nan 0.000 0.433 111 L N -1.583 119.446 121.223 -0.324 0.000 2.131 111 L HA -0.132 4.225 4.340 0.029 0.000 0.206 111 L C 2.662 179.526 176.870 -0.010 0.000 1.087 111 L CA 0.462 55.166 54.840 -0.227 0.000 0.767 111 L CB -0.699 41.164 42.059 -0.326 0.000 0.917 111 L HN 0.238 nan 8.230 nan 0.000 0.441 112 R N 0.258 120.760 120.500 0.002 0.000 2.119 112 R HA -0.213 4.144 4.340 0.029 0.000 0.246 112 R C 2.141 178.573 176.300 0.220 0.000 1.146 112 R CA 2.059 58.222 56.100 0.105 0.000 0.962 112 R CB -0.318 30.065 30.300 0.138 0.000 0.863 112 R HN 0.590 nan 8.270 nan 0.000 0.442 113 H N -2.699 116.379 119.070 0.013 0.000 2.399 113 H HA -0.104 4.470 4.556 0.029 0.000 0.300 113 H C 1.817 177.159 175.328 0.023 0.000 1.048 113 H CA 0.834 56.888 56.048 0.011 0.000 1.370 113 H CB -0.168 29.602 29.762 0.012 0.000 1.428 113 H HN 0.231 nan 8.280 nan 0.000 0.534 114 Y N 1.920 122.241 120.300 0.035 0.000 2.256 114 Y HA -0.201 4.366 4.550 0.029 0.000 0.288 114 Y C 1.877 177.759 175.900 -0.030 0.000 1.155 114 Y CA 1.187 59.269 58.100 -0.030 0.000 1.203 114 Y CB -0.305 38.087 38.460 -0.113 0.000 0.980 114 Y HN 0.070 nan 8.280 nan 0.000 0.530 115 L N -0.537 120.675 121.223 -0.019 0.000 2.509 115 L HA -0.029 4.329 4.340 0.029 0.000 0.222 115 L C 2.344 179.168 176.870 -0.077 0.000 1.123 115 L CA 0.922 55.707 54.840 -0.092 0.000 0.856 115 L CB -0.527 41.535 42.059 0.006 0.000 0.985 115 L HN 0.355 nan 8.230 nan 0.000 0.456 116 T N -2.826 111.704 114.554 -0.040 0.000 2.739 116 T HA -0.148 4.219 4.350 0.029 0.000 0.246 116 T C 1.534 176.196 174.700 -0.063 0.000 1.058 116 T CA 0.841 62.917 62.100 -0.041 0.000 1.184 116 T CB -0.668 68.182 68.868 -0.029 0.000 0.887 116 T HN 0.320 nan 8.240 nan 0.000 0.408 117 D N 2.815 123.176 120.400 -0.064 0.000 4.671 117 D HA -0.158 4.500 4.640 0.029 0.000 0.191 117 D C 0.482 176.743 176.300 -0.066 0.000 1.436 117 D CA 2.174 56.136 54.000 -0.065 0.000 0.914 117 D CB -1.094 39.666 40.800 -0.065 0.000 0.849 117 D HN 0.914 nan 8.370 nan 0.000 0.591 118 D N -5.248 115.103 120.400 -0.081 0.000 2.993 118 D HA 0.544 5.201 4.640 0.029 0.000 0.284 118 D C -0.797 175.452 176.300 -0.085 0.000 1.172 118 D CA -0.261 53.698 54.000 -0.070 0.000 0.729 118 D CB 0.548 41.310 40.800 -0.063 0.000 1.270 118 D HN 0.104 nan 8.370 nan 0.000 0.436 119 S N -1.038 114.625 115.700 -0.061 0.000 2.584 119 S HA 0.409 4.896 4.470 0.029 0.000 0.275 119 S C -2.263 172.322 174.600 -0.026 0.000 0.964 119 S CA -0.045 58.122 58.200 -0.055 0.000 1.063 119 S CB 0.092 63.252 63.200 -0.066 0.000 1.337 119 S HN 1.144 nan 8.310 nan 0.000 0.459 120 D N 0.560 120.951 120.400 -0.014 0.000 3.710 120 D HA 0.187 4.844 4.640 0.029 0.000 0.274 120 D C -0.218 176.088 176.300 0.009 0.000 1.572 120 D CA -0.243 53.760 54.000 0.004 0.000 0.782 120 D CB -0.627 40.174 40.800 0.003 0.000 1.393 120 D HN 0.684 nan 8.370 nan 0.000 0.671 121 K N 0.159 120.567 120.400 0.013 0.000 3.467 121 K HA -0.242 4.095 4.320 0.029 0.000 0.309 121 K C 1.362 177.980 176.600 0.030 0.000 1.350 121 K CA 1.078 57.381 56.287 0.028 0.000 0.934 121 K CB -0.979 31.539 32.500 0.030 0.000 1.312 121 K HN 0.304 nan 8.250 nan 0.000 0.461 122 R N 1.735 122.243 120.500 0.014 0.000 2.055 122 R HA -0.005 4.353 4.340 0.029 0.000 0.226 122 R C 1.747 178.073 176.300 0.045 0.000 1.135 122 R CA 1.410 57.528 56.100 0.029 0.000 0.959 122 R CB 0.073 30.372 30.300 -0.001 0.000 0.854 122 R HN 0.159 nan 8.270 nan 0.000 0.431 123 K N 0.465 120.859 120.400 -0.010 0.000 2.103 123 K HA -0.112 4.225 4.320 0.029 0.000 0.204 123 K C 2.072 178.703 176.600 0.052 0.000 1.052 123 K CA 0.932 57.205 56.287 -0.022 0.000 0.945 123 K CB -0.149 32.216 32.500 -0.225 0.000 0.722 123 K HN 0.106 nan 8.250 nan 0.000 0.443 124 L N 0.391 121.641 121.223 0.044 0.000 2.083 124 L HA -0.130 4.227 4.340 0.029 0.000 0.209 124 L C 1.946 178.866 176.870 0.084 0.000 1.083 124 L CA 1.534 56.414 54.840 0.067 0.000 0.752 124 L CB -0.357 41.743 42.059 0.069 0.000 0.899 124 L HN 0.046 nan 8.230 nan 0.000 0.433 125 F N -0.281 119.615 119.950 -0.090 0.000 2.234 125 F HA -0.076 4.468 4.527 0.029 0.000 0.296 125 F C 2.445 178.168 175.800 -0.128 0.000 1.089 125 F CA 1.346 59.244 58.000 -0.170 0.000 1.343 125 F CB -0.262 38.599 39.000 -0.232 0.000 1.040 125 F HN 0.157 nan 8.300 nan 0.000 0.498 126 Q N -0.291 119.455 119.800 -0.091 0.000 2.124 126 Q HA -0.199 4.158 4.340 0.029 0.000 0.202 126 Q C 2.149 178.074 176.000 -0.124 0.000 0.977 126 Q CA 1.656 57.374 55.803 -0.142 0.000 0.850 126 Q CB -0.405 28.336 28.738 0.005 0.000 0.901 126 Q HN 0.414 nan 8.270 nan 0.000 0.429 127 L N 0.274 121.472 121.223 -0.041 0.000 1.988 127 L HA -0.112 4.246 4.340 0.029 0.000 0.207 127 L C 2.184 179.008 176.870 -0.078 0.000 1.071 127 L CA 1.743 56.566 54.840 -0.029 0.000 0.744 127 L CB -0.661 41.391 42.059 -0.012 0.000 0.893 127 L HN -0.020 nan 8.230 nan 0.000 0.433 128 S N -0.808 114.829 115.700 -0.105 0.000 2.423 128 S HA -0.208 4.279 4.470 0.029 0.000 0.238 128 S C 1.931 176.408 174.600 -0.204 0.000 1.028 128 S CA 1.463 59.597 58.200 -0.109 0.000 1.000 128 S CB -0.349 62.782 63.200 -0.115 0.000 0.797 128 S HN 0.577 nan 8.310 nan 0.000 0.487 129 S N 0.741 116.233 115.700 -0.346 0.000 2.339 129 S HA 0.093 4.580 4.470 0.029 0.000 0.213 129 S C 1.842 176.340 174.600 -0.171 0.000 1.033 129 S CA 0.325 58.314 58.200 -0.351 0.000 0.950 129 S CB -0.169 62.696 63.200 -0.558 0.000 0.893 129 S HN 0.241 nan 8.310 nan 0.000 0.492 130 K N 2.143 122.479 120.400 -0.108 0.000 2.293 130 K HA -0.023 4.315 4.320 0.029 0.000 0.204 130 K C 1.933 178.554 176.600 0.035 0.000 1.045 130 K CA 1.166 57.449 56.287 -0.005 0.000 0.933 130 K CB -0.742 31.843 32.500 0.142 0.000 0.736 130 K HN 0.372 nan 8.250 nan 0.000 0.463 131 A N 1.057 123.873 122.820 -0.008 0.000 1.835 131 A HA 0.045 4.382 4.320 0.029 0.000 0.213 131 A C 2.418 179.819 177.584 -0.305 0.000 1.210 131 A CA 1.713 53.661 52.037 -0.149 0.000 0.605 131 A CB -0.889 18.060 19.000 -0.085 0.000 0.860 131 A HN 0.245 nan 8.150 nan 0.000 0.447 132 A N -0.039 122.722 122.820 -0.098 0.000 1.958 132 A HA -0.269 4.069 4.320 0.029 0.000 0.221 132 A C 1.776 179.391 177.584 0.051 0.000 1.178 132 A CA 2.136 54.225 52.037 0.086 0.000 0.642 132 A CB -0.751 18.304 19.000 0.091 0.000 0.816 132 A HN 0.538 nan 8.150 nan 0.000 0.453 133 D N -0.182 120.188 120.400 -0.050 0.000 2.097 133 D HA -0.115 4.542 4.640 0.029 0.000 0.195 133 D C 2.019 178.253 176.300 -0.111 0.000 0.989 133 D CA 1.137 55.100 54.000 -0.062 0.000 0.827 133 D CB -0.285 40.458 40.800 -0.095 0.000 0.966 133 D HN 0.459 nan 8.370 nan 0.000 0.456 134 L N 0.003 121.095 121.223 -0.218 0.000 2.012 134 L HA -0.171 4.186 4.340 0.029 0.000 0.210 134 L C 2.633 179.231 176.870 -0.453 0.000 1.073 134 L CA 1.027 55.598 54.840 -0.448 0.000 0.748 134 L CB -0.476 41.289 42.059 -0.489 0.000 0.891 134 L HN 0.052 nan 8.230 nan 0.000 0.431 135 F N -0.144 119.713 119.950 -0.156 0.000 2.095 135 F HA -0.333 4.212 4.527 0.029 0.000 0.298 135 F C 2.615 178.413 175.800 -0.005 0.000 1.104 135 F CA 1.164 59.165 58.000 0.002 0.000 1.232 135 F CB -0.355 38.797 39.000 0.254 0.000 0.987 135 F HN 0.312 nan 8.300 nan 0.000 0.475 136 D N 0.362 120.908 120.400 0.243 0.000 2.190 136 D HA -0.239 4.418 4.640 0.029 0.000 0.200 136 D C 1.988 178.360 176.300 0.121 0.000 0.992 136 D CA 1.388 55.498 54.000 0.183 0.000 0.854 136 D CB -0.131 40.754 40.800 0.140 0.000 0.936 136 D HN 0.414 nan 8.370 nan 0.000 0.462 137 Q N -1.034 118.788 119.800 0.038 0.000 2.062 137 Q HA -0.106 4.251 4.340 0.029 0.000 0.196 137 Q C 2.231 178.340 176.000 0.182 0.000 0.967 137 Q CA 0.704 56.552 55.803 0.075 0.000 0.832 137 Q CB -0.069 28.613 28.738 -0.094 0.000 0.899 137 Q HN 0.479 nan 8.270 nan 0.000 0.442 138 Y N 0.190 120.552 120.300 0.104 0.000 2.315 138 Y HA -0.211 4.356 4.550 0.029 0.000 0.288 138 Y C 1.875 177.703 175.900 -0.120 0.000 1.154 138 Y CA 0.122 58.214 58.100 -0.013 0.000 1.229 138 Y CB 0.095 38.603 38.460 0.080 0.000 0.980 138 Y HN 0.166 nan 8.280 nan 0.000 0.540 139 L N -0.625 120.647 121.223 0.082 0.000 2.633 139 L HA -0.140 4.217 4.340 0.029 0.000 0.235 139 L C 1.221 178.081 176.870 -0.018 0.000 1.163 139 L CA 0.291 55.151 54.840 0.034 0.000 0.859 139 L CB -0.061 42.067 42.059 0.115 0.000 0.973 139 L HN 0.180 nan 8.230 nan 0.000 0.451 140 V N -3.163 116.671 119.914 -0.133 0.000 3.159 140 V HA 0.023 4.160 4.120 0.029 0.000 0.234 140 V C -0.203 175.435 176.094 -0.759 0.000 1.313 140 V CA -0.126 61.876 62.300 -0.497 0.000 1.271 140 V CB 0.160 31.600 31.823 -0.639 0.000 1.053 140 V HN 0.042 nan 8.190 nan 0.000 0.476 141 Y N 2.646 122.811 120.300 -0.226 0.000 2.417 141 Y HA 0.702 5.269 4.550 0.029 0.000 0.336 141 Y C 0.352 175.997 175.900 -0.425 0.000 0.961 141 Y CA -1.157 56.770 58.100 -0.289 0.000 1.215 141 Y CB 0.834 39.161 38.460 -0.221 0.000 1.120 141 Y HN 0.098 nan 8.280 nan 0.000 0.499 142 R N 0.916 121.134 120.500 -0.471 0.000 3.328 142 R HA -0.110 4.247 4.340 0.029 0.000 0.287 142 R C -2.658 173.345 176.300 -0.495 0.000 1.126 142 R CA 0.092 55.704 56.100 -0.813 0.000 0.764 142 R CB -2.363 26.798 30.300 -1.898 0.000 1.380 142 R HN 0.509 nan 8.270 nan 0.000 0.428 143 P HA -0.116 nan 4.420 nan 0.000 0.230 143 P C 0.482 177.779 177.300 -0.004 0.000 1.158 143 P CA 1.127 64.191 63.100 -0.059 0.000 0.769 143 P CB 0.211 31.970 31.700 0.098 0.000 0.807 144 D N -1.941 118.427 120.400 -0.054 0.000 2.289 144 D HA -0.122 4.535 4.640 0.029 0.000 0.207 144 D C 1.667 177.942 176.300 -0.042 0.000 0.966 144 D CA 0.260 54.254 54.000 -0.009 0.000 0.868 144 D CB -0.950 39.854 40.800 0.007 0.000 0.943 144 D HN 0.100 nan 8.370 nan 0.000 0.514 145 W N 1.963 122.999 121.300 -0.440 0.000 2.338 145 W HA -0.046 4.632 4.660 0.029 0.000 0.304 145 W C 2.395 178.289 176.519 -1.042 0.000 1.212 145 W CA 0.453 57.284 57.345 -0.857 0.000 1.264 145 W CB -0.856 27.919 29.460 -1.141 0.000 1.142 145 W HN -0.002 nan 8.180 nan 0.000 0.512 146 L N -0.294 120.641 121.223 -0.480 0.000 2.005 146 L HA -0.145 4.212 4.340 0.029 0.000 0.207 146 L C 2.631 179.612 176.870 0.185 0.000 1.072 146 L CA 1.462 56.121 54.840 -0.303 0.000 0.744 146 L CB -1.719 40.088 42.059 -0.419 0.000 0.895 146 L HN -0.118 nan 8.230 nan 0.000 0.433 147 A N -0.439 122.473 122.820 0.153 0.000 2.042 147 A HA -0.315 4.022 4.320 0.029 0.000 0.222 147 A C 2.204 179.870 177.584 0.136 0.000 1.167 147 A CA 2.181 54.323 52.037 0.176 0.000 0.649 147 A CB -0.523 18.527 19.000 0.084 0.000 0.809 147 A HN 0.445 nan 8.150 nan 0.000 0.457 148 Q N -1.239 118.593 119.800 0.052 0.000 2.008 148 Q HA -0.094 4.264 4.340 0.029 0.000 0.196 148 Q C 1.830 177.999 176.000 0.281 0.000 0.973 148 Q CA 1.674 57.515 55.803 0.062 0.000 0.826 148 Q CB -0.329 28.355 28.738 -0.089 0.000 0.894 148 Q HN 0.777 nan 8.270 nan 0.000 0.439 149 W N 1.154 122.561 121.300 0.179 0.000 2.374 149 W HA -0.073 4.605 4.660 0.029 0.000 0.288 149 W C 1.884 178.576 176.519 0.287 0.000 1.218 149 W CA 1.119 58.596 57.345 0.219 0.000 1.245 149 W CB -0.882 28.720 29.460 0.237 0.000 1.126 149 W HN 0.439 nan 8.180 nan 0.000 0.545 150 E N 0.023 120.563 120.200 0.567 0.000 2.171 150 E HA -0.200 4.167 4.350 0.029 0.000 0.197 150 E C 1.638 178.394 176.600 0.259 0.000 0.997 150 E CA 2.085 58.700 56.400 0.357 0.000 0.810 150 E CB 0.003 29.899 29.700 0.328 0.000 0.738 150 E HN 0.178 nan 8.360 nan 0.000 0.467 151 T N -4.006 110.724 114.554 0.294 0.000 3.145 151 T HA 0.392 4.759 4.350 0.029 0.000 0.255 151 T C 1.191 176.068 174.700 0.294 0.000 1.039 151 T CA 0.332 62.602 62.100 0.283 0.000 0.928 151 T CB 0.827 69.880 68.868 0.308 0.000 1.029 151 T HN 0.281 nan 8.240 nan 0.000 0.554 152 G N 1.213 110.168 108.800 0.258 0.000 2.253 152 G HA2 -0.253 3.724 3.960 0.029 0.000 0.251 152 G HA3 -0.253 3.724 3.960 0.029 0.000 0.251 152 G C -0.082 174.879 174.900 0.101 0.000 0.998 152 G CA 0.029 45.212 45.100 0.138 0.000 0.621 152 G HN 0.731 nan 8.290 nan 0.000 0.524 153 H N 0.087 119.251 119.070 0.156 0.000 2.732 153 H HA 0.573 5.146 4.556 0.029 0.000 0.351 153 H C 0.749 176.199 175.328 0.204 0.000 1.090 153 H CA 0.036 56.164 56.048 0.135 0.000 1.431 153 H CB 0.819 30.641 29.762 0.100 0.000 1.447 153 H HN 0.253 nan 8.280 nan 0.000 0.582 154 L N 1.968 123.326 121.223 0.225 0.000 2.397 154 L HA 0.437 4.794 4.340 0.029 0.000 0.266 154 L C -0.357 176.583 176.870 0.116 0.000 1.040 154 L CA -0.656 54.300 54.840 0.194 0.000 0.800 154 L CB 1.178 43.272 42.059 0.057 0.000 1.324 154 L HN 0.386 nan 8.230 nan 0.000 0.469 155 V N 0.603 120.529 119.914 0.020 0.000 2.443 155 V HA 0.284 4.421 4.120 0.029 0.000 0.293 155 V C -0.488 175.564 176.094 -0.070 0.000 1.021 155 V CA -1.046 61.208 62.300 -0.077 0.000 0.848 155 V CB 1.372 33.024 31.823 -0.285 0.000 0.998 155 V HN 0.616 nan 8.190 nan 0.000 0.424 156 E N 3.409 123.595 120.200 -0.022 0.000 2.652 156 E HA 0.172 4.539 4.350 0.029 0.000 0.255 156 E C 1.262 177.852 176.600 -0.017 0.000 0.952 156 E CA 1.126 57.518 56.400 -0.013 0.000 0.947 156 E CB 0.460 30.164 29.700 0.006 0.000 0.912 156 E HN 1.159 nan 8.360 nan 0.000 0.489 157 G N 2.607 111.395 108.800 -0.021 0.000 2.176 157 G HA2 -0.246 3.731 3.960 0.029 0.000 0.232 157 G HA3 -0.246 3.731 3.960 0.029 0.000 0.232 157 G C 0.157 175.046 174.900 -0.019 0.000 0.986 157 G CA -0.151 44.944 45.100 -0.009 0.000 0.643 157 G HN 0.377 nan 8.290 nan 0.000 0.522 158 L N 0.900 122.082 121.223 -0.068 0.000 2.360 158 L HA 0.698 5.055 4.340 0.029 0.000 0.271 158 L C 1.586 178.414 176.870 -0.070 0.000 1.057 158 L CA -0.614 54.170 54.840 -0.094 0.000 0.803 158 L CB 1.060 42.965 42.059 -0.257 0.000 1.207 158 L HN 0.187 nan 8.230 nan 0.000 0.445 159 G N 1.020 109.796 108.800 -0.040 0.000 2.647 159 G HA2 0.135 4.113 3.960 0.029 0.000 0.271 159 G HA3 0.135 4.113 3.960 0.029 0.000 0.271 159 G C 0.151 175.016 174.900 -0.058 0.000 1.300 159 G CA -0.325 44.760 45.100 -0.025 0.000 0.997 159 G HN 0.699 nan 8.290 nan 0.000 0.533 160 E N -0.871 119.307 120.200 -0.036 0.000 4.520 160 E HA 0.324 4.691 4.350 0.029 0.000 0.569 160 E C 2.003 178.537 176.600 -0.110 0.000 1.225 160 E CA 0.967 57.333 56.400 -0.055 0.000 3.810 160 E CB -0.311 29.387 29.700 -0.005 0.000 1.842 160 E HN 1.111 nan 8.360 nan 0.000 0.397 161 A N -0.653 122.120 122.820 -0.079 0.000 3.976 161 A HA -0.463 3.875 4.320 0.029 0.000 0.246 161 A C 1.860 178.889 177.584 -0.924 0.000 0.591 161 A CA 2.621 54.447 52.037 -0.351 0.000 1.143 161 A CB -2.064 16.880 19.000 -0.094 0.000 1.238 161 A HN 0.597 nan 8.150 nan 0.000 0.666 162 Q N -0.373 119.099 119.800 -0.548 0.000 2.224 162 Q HA 0.129 4.486 4.340 0.029 0.000 0.203 162 Q C 2.163 177.789 176.000 -0.623 0.000 0.970 162 Q CA 1.840 57.258 55.803 -0.642 0.000 0.865 162 Q CB -0.399 28.111 28.738 -0.380 0.000 0.922 162 Q HN 1.328 nan 8.270 nan 0.000 0.445 163 A N 1.430 124.008 122.820 -0.404 0.000 1.948 163 A HA -0.176 4.161 4.320 0.029 0.000 0.220 163 A C 1.776 179.176 177.584 -0.307 0.000 1.177 163 A CA 1.617 53.500 52.037 -0.257 0.000 0.636 163 A CB -1.012 17.923 19.000 -0.109 0.000 0.815 163 A HN 0.856 nan 8.150 nan 0.000 0.449 164 W N -1.725 119.270 121.300 -0.508 0.000 2.792 164 W HA 0.170 4.847 4.660 0.029 0.000 0.262 164 W C 1.531 177.677 176.519 -0.620 0.000 1.212 164 W CA 0.513 57.364 57.345 -0.824 0.000 1.433 164 W CB -0.561 28.324 29.460 -0.959 0.000 1.004 164 W HN 0.343 nan 8.180 nan 0.000 0.608 165 Q N 1.589 120.690 119.800 -1.165 0.000 2.050 165 Q HA -0.122 4.236 4.340 0.029 0.000 0.202 165 Q C 2.713 178.320 176.000 -0.655 0.000 0.980 165 Q CA 2.445 57.719 55.803 -0.881 0.000 0.840 165 Q CB -0.520 27.582 28.738 -1.060 0.000 0.898 165 Q HN 0.282 nan 8.270 nan 0.000 0.424 166 A N 1.579 123.674 122.820 -1.208 0.000 1.873 166 A HA -0.178 4.160 4.320 0.029 0.000 0.218 166 A C -0.404 177.002 177.584 -0.297 0.000 1.193 166 A CA 1.671 52.931 52.037 -1.295 0.000 0.629 166 A CB -1.628 16.605 19.000 -1.278 0.000 0.826 166 A HN 0.248 nan 8.150 nan 0.000 0.447 167 P HA -0.139 nan 4.420 nan 0.000 0.214 167 P C 1.838 179.311 177.300 0.288 0.000 1.162 167 P CA 0.705 63.885 63.100 0.133 0.000 0.879 167 P CB -0.154 31.693 31.700 0.245 0.000 0.786 168 L N -0.971 120.489 121.223 0.395 0.000 2.021 168 L HA -0.224 4.134 4.340 0.029 0.000 0.215 168 L C 2.241 179.380 176.870 0.450 0.000 1.074 168 L CA 2.144 57.312 54.840 0.546 0.000 0.760 168 L CB -0.899 41.558 42.059 0.664 0.000 0.889 168 L HN 0.221 nan 8.230 nan 0.000 0.433 169 W N 1.164 122.563 121.300 0.166 0.000 2.355 169 W HA -0.297 4.380 4.660 0.029 0.000 0.309 169 W C 2.523 179.098 176.519 0.093 0.000 1.206 169 W CA 1.810 59.112 57.345 -0.072 0.000 1.284 169 W CB -0.168 29.228 29.460 -0.108 0.000 1.145 169 W HN 0.190 nan 8.180 nan 0.000 0.502 170 K N 0.701 121.170 120.400 0.115 0.000 2.063 170 K HA -0.195 4.142 4.320 0.029 0.000 0.208 170 K C 2.250 178.851 176.600 0.001 0.000 1.048 170 K CA 1.989 58.295 56.287 0.031 0.000 0.928 170 K CB -0.497 32.095 32.500 0.152 0.000 0.713 170 K HN 0.069 nan 8.250 nan 0.000 0.442 171 A N 1.443 124.318 122.820 0.093 0.000 1.902 171 A HA -0.160 4.177 4.320 0.029 0.000 0.217 171 A C 2.130 179.776 177.584 0.104 0.000 1.181 171 A CA 1.364 53.468 52.037 0.111 0.000 0.623 171 A CB -0.613 18.487 19.000 0.166 0.000 0.818 171 A HN 0.450 nan 8.150 nan 0.000 0.443 172 L N -0.107 121.157 121.223 0.068 0.000 2.056 172 L HA -0.133 4.224 4.340 0.029 0.000 0.207 172 L C 2.441 179.288 176.870 -0.038 0.000 1.078 172 L CA 1.435 56.318 54.840 0.072 0.000 0.749 172 L CB -0.248 41.848 42.059 0.062 0.000 0.901 172 L HN 0.274 nan 8.230 nan 0.000 0.433 173 V N -0.025 119.760 119.914 -0.214 0.000 2.287 173 V HA -0.319 3.818 4.120 0.029 0.000 0.248 173 V C 2.326 178.447 176.094 0.045 0.000 1.053 173 V CA 2.146 64.395 62.300 -0.086 0.000 1.027 173 V CB -0.678 31.004 31.823 -0.235 0.000 0.646 173 V HN 0.478 nan 8.190 nan 0.000 0.447 174 E N -0.844 119.389 120.200 0.055 0.000 2.051 174 E HA -0.257 4.111 4.350 0.029 0.000 0.192 174 E C 2.167 178.853 176.600 0.144 0.000 0.991 174 E CA 1.765 58.234 56.400 0.115 0.000 0.799 174 E CB -0.319 29.440 29.700 0.097 0.000 0.748 174 E HN 0.710 nan 8.360 nan 0.000 0.449 175 Y N 1.270 121.576 120.300 0.010 0.000 2.128 175 Y HA -0.264 4.303 4.550 0.029 0.000 0.284 175 Y C 2.569 178.469 175.900 -0.000 0.000 1.154 175 Y CA 1.959 60.059 58.100 0.001 0.000 1.149 175 Y CB -0.957 37.507 38.460 0.007 0.000 0.976 175 Y HN -0.021 nan 8.280 nan 0.000 0.505 176 T N -0.831 113.567 114.554 -0.260 0.000 2.881 176 T HA -0.257 4.110 4.350 0.029 0.000 0.270 176 T C 1.943 176.554 174.700 -0.148 0.000 1.068 176 T CA 1.856 63.730 62.100 -0.376 0.000 1.131 176 T CB -0.758 67.876 68.868 -0.391 0.000 0.871 176 T HN 0.781 nan 8.240 nan 0.000 0.479 177 H N 0.015 119.006 119.070 -0.132 0.000 2.276 177 H HA -0.065 4.509 4.556 0.029 0.000 0.301 177 H C 2.435 177.710 175.328 -0.089 0.000 1.073 177 H CA 1.423 57.420 56.048 -0.085 0.000 1.311 177 H CB -0.062 29.674 29.762 -0.042 0.000 1.379 177 H HN 0.491 nan 8.280 nan 0.000 0.494 178 Q N 0.644 120.360 119.800 -0.140 0.000 2.173 178 Q HA -0.189 4.168 4.340 0.029 0.000 0.208 178 Q C 2.578 178.511 176.000 -0.112 0.000 0.989 178 Q CA 1.758 57.450 55.803 -0.184 0.000 0.872 178 Q CB -0.166 28.537 28.738 -0.059 0.000 0.909 178 Q HN 0.527 nan 8.270 nan 0.000 0.420 179 L N -0.272 120.849 121.223 -0.170 0.000 2.265 179 L HA -0.056 4.302 4.340 0.029 0.000 0.215 179 L C 1.061 177.878 176.870 -0.087 0.000 1.117 179 L CA 0.705 55.440 54.840 -0.175 0.000 0.782 179 L CB -0.607 41.241 42.059 -0.352 0.000 0.914 179 L HN 0.531 nan 8.230 nan 0.000 0.441 180 G N 0.698 109.475 108.800 -0.038 0.000 2.370 180 G HA2 -0.210 3.767 3.960 0.029 0.000 0.268 180 G HA3 -0.210 3.767 3.960 0.029 0.000 0.268 180 G C -0.218 174.677 174.900 -0.009 0.000 1.122 180 G CA -0.353 44.754 45.100 0.012 0.000 0.963 180 G HN 0.436 nan 8.290 nan 0.000 0.500 181 Q N -0.665 119.121 119.800 -0.024 0.000 2.353 181 Q HA 0.446 4.803 4.340 0.029 0.000 0.268 181 Q C -2.655 173.337 176.000 -0.013 0.000 1.045 181 Q CA -2.255 53.533 55.803 -0.024 0.000 0.811 181 Q CB 2.349 31.046 28.738 -0.068 0.000 1.305 181 Q HN 0.094 nan 8.270 nan 0.000 0.447 182 P HA -0.159 nan 4.420 nan 0.000 0.247 182 P C 0.256 177.550 177.300 -0.010 0.000 1.141 182 P CA 0.580 63.657 63.100 -0.039 0.000 0.858 182 P CB 0.129 31.927 31.700 0.164 0.000 0.804 183 R N 2.423 122.744 120.500 -0.299 0.000 2.276 183 R HA -0.162 4.195 4.340 0.029 0.000 0.243 183 R C 0.022 176.265 176.300 -0.094 0.000 1.161 183 R CA 0.672 56.661 56.100 -0.186 0.000 1.007 183 R CB -0.620 29.352 30.300 -0.545 0.000 0.867 183 R HN 0.431 nan 8.270 nan 0.000 0.472 184 W N 3.242 124.615 121.300 0.122 0.000 2.712 184 W HA 0.007 4.684 4.660 0.029 0.000 0.345 184 W C 0.832 177.476 176.519 0.210 0.000 1.424 184 W CA -1.016 56.355 57.345 0.044 0.000 1.375 184 W CB 0.106 29.641 29.460 0.125 0.000 1.483 184 W HN 0.205 nan 8.180 nan 0.000 0.561 185 H N 1.374 120.620 119.070 0.294 0.000 3.327 185 H HA 0.345 4.919 4.556 0.029 0.000 0.139 185 H C 1.182 176.876 175.328 0.609 0.000 1.537 185 H CA -0.260 55.952 56.048 0.273 0.000 1.647 185 H CB 0.091 29.860 29.762 0.012 0.000 1.061 185 H HN 0.393 nan 8.280 nan 0.000 0.839 186 R N -0.442 120.481 120.500 0.705 0.000 2.394 186 R HA 0.315 4.672 4.340 0.029 0.000 0.220 186 R C 1.510 178.123 176.300 0.521 0.000 0.887 186 R CA 0.647 57.158 56.100 0.686 0.000 1.034 186 R CB 0.458 31.117 30.300 0.599 0.000 1.179 186 R HN 0.481 nan 8.270 nan 0.000 0.561 187 A N 1.395 124.493 122.820 0.463 0.000 1.901 187 A HA -0.077 4.260 4.320 0.029 0.000 0.210 187 A C 1.447 179.127 177.584 0.160 0.000 1.208 187 A CA 0.920 53.200 52.037 0.406 0.000 0.644 187 A CB -0.368 18.844 19.000 0.354 0.000 0.863 187 A HN 0.517 nan 8.150 nan 0.000 0.454 188 N N -0.736 118.017 118.700 0.089 0.000 2.571 188 N HA 0.065 4.822 4.740 0.029 0.000 0.189 188 N C 0.695 176.072 175.510 -0.221 0.000 1.154 188 N CA 0.793 53.771 53.050 -0.120 0.000 0.907 188 N CB -0.024 38.316 38.487 -0.244 0.000 0.977 188 N HN 0.308 nan 8.380 nan 0.000 0.449 189 L N -0.987 120.103 121.223 -0.221 0.000 2.781 189 L HA 0.272 4.629 4.340 0.029 0.000 0.245 189 L C 1.278 177.789 176.870 -0.598 0.000 1.118 189 L CA -0.051 54.494 54.840 -0.492 0.000 0.918 189 L CB -0.299 41.406 42.059 -0.590 0.000 1.246 189 L HN 0.251 nan 8.230 nan 0.000 0.526 190 Y N -1.287 118.862 120.300 -0.251 0.000 2.286 190 Y HA -0.051 4.516 4.550 0.029 0.000 0.293 190 Y C 2.162 178.033 175.900 -0.049 0.000 1.124 190 Y CA 1.085 59.124 58.100 -0.102 0.000 1.178 190 Y CB -0.785 37.756 38.460 0.135 0.000 1.010 190 Y HN 0.131 nan 8.280 nan 0.000 0.536 191 Q N 0.641 119.970 119.800 -0.785 0.000 2.020 191 Q HA -0.171 4.187 4.340 0.029 0.000 0.202 191 Q C 2.534 178.387 176.000 -0.245 0.000 0.982 191 Q CA 2.070 57.573 55.803 -0.499 0.000 0.838 191 Q CB -0.304 28.073 28.738 -0.601 0.000 0.899 191 Q HN 0.428 nan 8.270 nan 0.000 0.423 192 R N -0.192 120.125 120.500 -0.305 0.000 2.080 192 R HA -0.202 4.155 4.340 0.029 0.000 0.236 192 R C 2.199 178.372 176.300 -0.211 0.000 1.137 192 R CA 1.639 57.580 56.100 -0.265 0.000 0.943 192 R CB -0.545 29.544 30.300 -0.350 0.000 0.846 192 R HN 0.282 nan 8.270 nan 0.000 0.431 193 F N 1.629 121.325 119.950 -0.424 0.000 2.063 193 F HA -0.298 4.246 4.527 0.029 0.000 0.298 193 F C 2.078 177.776 175.800 -0.169 0.000 1.105 193 F CA 1.979 59.760 58.000 -0.365 0.000 1.215 193 F CB -0.538 38.167 39.000 -0.491 0.000 0.972 193 F HN 0.009 nan 8.300 nan 0.000 0.483 194 I N 0.031 120.537 120.570 -0.106 0.000 2.142 194 I HA -0.307 3.881 4.170 0.029 0.000 0.240 194 I C 2.519 178.534 176.117 -0.169 0.000 1.078 194 I CA 1.916 63.126 61.300 -0.149 0.000 1.343 194 I CB -0.847 37.177 38.000 0.040 0.000 1.046 194 I HN 0.285 nan 8.210 nan 0.000 0.405 195 E N 0.663 120.783 120.200 -0.134 0.000 2.049 195 E HA -0.326 4.041 4.350 0.029 0.000 0.198 195 E C 2.166 178.679 176.600 -0.145 0.000 1.007 195 E CA 2.286 58.611 56.400 -0.124 0.000 0.809 195 E CB -0.124 29.503 29.700 -0.122 0.000 0.749 195 E HN 0.413 nan 8.360 nan 0.000 0.450 196 T N -0.554 113.887 114.554 -0.189 0.000 2.962 196 T HA -0.066 4.301 4.350 0.029 0.000 0.270 196 T C 1.804 176.371 174.700 -0.221 0.000 1.088 196 T CA 0.807 62.791 62.100 -0.193 0.000 1.127 196 T CB -0.051 68.693 68.868 -0.207 0.000 0.883 196 T HN 0.168 nan 8.240 nan 0.000 0.493 197 L N -0.183 120.873 121.223 -0.278 0.000 2.145 197 L HA 0.227 4.585 4.340 0.029 0.000 0.201 197 L C 2.769 179.607 176.870 -0.052 0.000 1.075 197 L CA 1.218 55.908 54.840 -0.251 0.000 0.773 197 L CB -0.406 41.410 42.059 -0.405 0.000 0.936 197 L HN 0.330 nan 8.230 nan 0.000 0.451 198 E N -0.054 120.095 120.200 -0.085 0.000 2.209 198 E HA -0.179 4.189 4.350 0.029 0.000 0.196 198 E C 1.542 178.129 176.600 -0.022 0.000 0.993 198 E CA 1.176 57.552 56.400 -0.039 0.000 0.819 198 E CB 0.222 29.889 29.700 -0.056 0.000 0.745 198 E HN 0.511 nan 8.360 nan 0.000 0.477 199 S N -0.492 115.182 115.700 -0.043 0.000 2.666 199 S HA 0.435 4.923 4.470 0.029 0.000 0.230 199 S C 1.028 175.615 174.600 -0.022 0.000 1.146 199 S CA 0.048 58.226 58.200 -0.037 0.000 1.162 199 S CB 0.157 63.322 63.200 -0.058 0.000 1.085 199 S HN 0.364 nan 8.310 nan 0.000 0.514 200 A N 0.781 123.573 122.820 -0.046 0.000 2.529 200 A HA -0.127 4.210 4.320 0.029 0.000 0.301 200 A C 0.640 178.228 177.584 0.007 0.000 1.477 200 A CA 1.078 53.083 52.037 -0.053 0.000 0.841 200 A CB -2.620 16.310 19.000 -0.116 0.000 1.011 200 A HN 0.884 nan 8.150 nan 0.000 0.414 201 T N 1.061 115.638 114.554 0.039 0.000 4.622 201 T HA 0.267 4.635 4.350 0.029 0.000 0.223 201 T C 1.528 176.270 174.700 0.071 0.000 0.939 201 T CA 0.871 63.023 62.100 0.085 0.000 1.070 201 T CB -0.730 68.150 68.868 0.020 0.000 1.391 201 T HN 1.023 nan 8.240 nan 0.000 1.063 202 T N -2.315 112.300 114.554 0.101 0.000 3.361 202 T HA 0.334 4.701 4.350 0.029 0.000 0.241 202 T C 0.782 175.534 174.700 0.086 0.000 0.998 202 T CA 0.427 62.557 62.100 0.051 0.000 1.215 202 T CB 0.297 69.164 68.868 -0.001 0.000 1.196 202 T HN 0.673 nan 8.240 nan 0.000 0.376 203 C N 0.211 119.553 119.300 0.071 0.000 3.231 203 C HA 0.701 5.178 4.460 0.029 0.000 0.343 203 C C -3.054 171.904 174.990 -0.052 0.000 1.349 203 C CA -1.786 57.296 59.018 0.106 0.000 1.209 203 C CB 0.705 28.469 27.740 0.040 0.000 1.475 203 C HN 0.473 nan 8.230 nan 0.000 0.460 204 P HA 0.299 nan 4.420 nan 0.000 0.274 204 P C -1.956 175.301 177.300 -0.071 0.000 1.291 204 P CA -0.176 62.889 63.100 -0.059 0.000 0.815 204 P CB 0.310 32.044 31.700 0.057 0.000 0.897 205 P HA -0.147 nan 4.420 nan 0.000 0.219 205 P C 0.846 178.120 177.300 -0.044 0.000 1.149 205 P CA 1.978 65.027 63.100 -0.085 0.000 0.835 205 P CB -0.182 31.454 31.700 -0.106 0.000 0.778 206 G N -2.711 106.073 108.800 -0.027 0.000 2.500 206 G HA2 0.002 3.979 3.960 0.029 0.000 0.227 206 G HA3 0.002 3.979 3.960 0.029 0.000 0.227 206 G C -0.245 174.659 174.900 0.007 0.000 1.157 206 G CA -0.662 44.434 45.100 -0.007 0.000 0.945 206 G HN 0.148 nan 8.290 nan 0.000 0.518 207 L N -0.293 120.939 121.223 0.015 0.000 2.891 207 L HA 0.692 5.049 4.340 0.029 0.000 0.216 207 L C -1.215 175.686 176.870 0.052 0.000 1.209 207 L CA -2.146 52.715 54.840 0.035 0.000 0.957 207 L CB -0.189 41.898 42.059 0.047 0.000 1.876 207 L HN 0.047 nan 8.230 nan 0.000 0.532 208 P HA 0.190 nan 4.420 nan 0.000 0.276 208 P C -0.170 177.168 177.300 0.063 0.000 1.244 208 P CA -0.338 62.812 63.100 0.082 0.000 0.801 208 P CB 1.495 33.269 31.700 0.125 0.000 1.006 209 S N 1.543 117.273 115.700 0.050 0.000 2.349 209 S HA -0.115 4.372 4.470 0.029 0.000 0.216 209 S C 0.997 175.606 174.600 0.014 0.000 1.033 209 S CA 1.050 59.271 58.200 0.035 0.000 1.021 209 S CB -0.394 62.830 63.200 0.040 0.000 0.968 209 S HN 0.661 nan 8.310 nan 0.000 0.426 210 R N -0.244 120.261 120.500 0.007 0.000 2.795 210 R HA 0.790 5.147 4.340 0.029 0.000 0.275 210 R C -1.867 174.373 176.300 -0.101 0.000 0.981 210 R CA -0.818 55.237 56.100 -0.075 0.000 0.917 210 R CB 1.606 31.878 30.300 -0.047 0.000 1.202 210 R HN 0.026 nan 8.270 nan 0.000 0.469 211 V N 2.273 122.047 119.914 -0.233 0.000 2.789 211 V HA 0.552 4.690 4.120 0.029 0.000 0.311 211 V C -1.175 174.739 176.094 -0.299 0.000 1.073 211 V CA -0.678 61.511 62.300 -0.184 0.000 0.921 211 V CB 1.726 33.463 31.823 -0.144 0.000 1.009 211 V HN 0.605 nan 8.190 nan 0.000 0.426 212 F N 3.635 123.577 119.950 -0.015 0.000 2.523 212 F HA 0.704 5.248 4.527 0.029 0.000 0.329 212 F C 0.140 175.927 175.800 -0.022 0.000 1.061 212 F CA -0.876 57.147 58.000 0.039 0.000 0.967 212 F CB 1.762 40.785 39.000 0.038 0.000 1.218 212 F HN 0.175 nan 8.300 nan 0.000 0.480 213 I N 2.437 123.158 120.570 0.251 0.000 2.542 213 I HA 0.224 4.411 4.170 0.029 0.000 0.278 213 I C -1.339 174.907 176.117 0.216 0.000 1.069 213 I CA -0.204 61.194 61.300 0.163 0.000 1.100 213 I CB 1.401 39.481 38.000 0.133 0.000 1.204 213 I HN 0.488 nan 8.210 nan 0.000 0.470 214 C N 4.254 123.671 119.300 0.195 0.000 2.411 214 C HA 0.702 5.179 4.460 0.029 0.000 0.330 214 C C 1.480 176.574 174.990 0.173 0.000 1.224 214 C CA 0.595 59.729 59.018 0.193 0.000 1.770 214 C CB 0.596 28.450 27.740 0.190 0.000 2.297 214 C HN 1.077 nan 8.230 nan 0.000 0.507 215 G N 4.823 113.721 108.800 0.164 0.000 2.321 215 G HA2 -0.223 3.754 3.960 0.029 0.000 0.287 215 G HA3 -0.223 3.754 3.960 0.029 0.000 0.287 215 G C -0.127 174.848 174.900 0.125 0.000 1.018 215 G CA 0.609 45.789 45.100 0.133 0.000 0.855 215 G HN 0.830 nan 8.290 nan 0.000 0.507 216 I N 1.341 121.989 120.570 0.131 0.000 2.464 216 I HA 0.198 4.385 4.170 0.029 0.000 0.277 216 I C 1.208 177.272 176.117 -0.088 0.000 1.040 216 I CA -0.154 61.163 61.300 0.029 0.000 1.153 216 I CB 1.429 39.432 38.000 0.006 0.000 1.274 216 I HN 0.191 nan 8.210 nan 0.000 0.469 217 S N 3.650 119.330 115.700 -0.033 0.000 2.851 217 S HA 0.500 4.987 4.470 0.029 0.000 0.227 217 S C 0.468 174.664 174.600 -0.674 0.000 0.958 217 S CA -0.282 57.863 58.200 -0.091 0.000 0.990 217 S CB -0.202 63.188 63.200 0.317 0.000 0.790 217 S HN 0.686 nan 8.310 nan 0.000 0.509 218 A N 0.554 122.787 122.820 -0.979 0.000 2.573 218 A HA 0.691 5.028 4.320 0.029 0.000 0.299 218 A C -1.313 175.942 177.584 -0.547 0.000 1.060 218 A CA -0.809 50.693 52.037 -0.892 0.000 0.736 218 A CB 0.755 19.543 19.000 -0.354 0.000 1.280 218 A HN 0.373 nan 8.150 nan 0.000 0.401 219 L N 1.458 122.535 121.223 -0.244 0.000 2.465 219 L HA 0.554 4.911 4.340 0.029 0.000 0.257 219 L C -2.719 174.212 176.870 0.102 0.000 0.988 219 L CA -2.047 52.835 54.840 0.071 0.000 0.827 219 L CB 2.997 45.209 42.059 0.256 0.000 1.397 219 L HN 0.464 nan 8.230 nan 0.000 0.410 220 P HA 0.210 nan 4.420 nan 0.000 0.275 220 P C -2.146 175.058 177.300 -0.160 0.000 1.227 220 P CA -1.196 61.769 63.100 -0.226 0.000 0.781 220 P CB 0.532 31.780 31.700 -0.753 0.000 0.906 221 P HA -0.222 nan 4.420 nan 0.000 0.218 221 P C 1.211 178.421 177.300 -0.150 0.000 1.154 221 P CA 1.388 64.419 63.100 -0.114 0.000 0.872 221 P CB -0.172 31.449 31.700 -0.131 0.000 0.790 222 V N -2.352 117.383 119.914 -0.299 0.000 2.427 222 V HA -0.242 3.896 4.120 0.029 0.000 0.248 222 V C 2.219 178.291 176.094 -0.036 0.000 1.051 222 V CA 1.609 63.708 62.300 -0.334 0.000 1.048 222 V CB -1.654 29.793 31.823 -0.627 0.000 0.666 222 V HN 0.186 nan 8.190 nan 0.000 0.456 223 Y N -0.231 120.009 120.300 -0.100 0.000 2.242 223 Y HA -0.132 4.435 4.550 0.029 0.000 0.291 223 Y C 2.477 178.413 175.900 0.060 0.000 1.137 223 Y CA 0.691 58.791 58.100 -0.000 0.000 1.181 223 Y CB -0.051 38.409 38.460 -0.000 0.000 0.989 223 Y HN 0.212 nan 8.280 nan 0.000 0.527 224 L N -0.083 121.257 121.223 0.195 0.000 1.976 224 L HA -0.282 4.076 4.340 0.029 0.000 0.209 224 L C 2.509 179.451 176.870 0.120 0.000 1.071 224 L CA 1.434 56.357 54.840 0.139 0.000 0.746 224 L CB -0.634 41.471 42.059 0.078 0.000 0.890 224 L HN 0.305 nan 8.230 nan 0.000 0.432 225 Q N -0.303 119.548 119.800 0.085 0.000 2.077 225 Q HA -0.264 4.094 4.340 0.029 0.000 0.206 225 Q C 2.368 178.466 176.000 0.163 0.000 0.989 225 Q CA 1.760 57.615 55.803 0.086 0.000 0.853 225 Q CB -0.421 28.346 28.738 0.049 0.000 0.907 225 Q HN 0.581 nan 8.270 nan 0.000 0.418 226 A N 1.167 124.135 122.820 0.247 0.000 1.917 226 A HA -0.197 4.140 4.320 0.029 0.000 0.219 226 A C 2.129 179.954 177.584 0.402 0.000 1.182 226 A CA 1.407 53.702 52.037 0.430 0.000 0.633 226 A CB -0.758 18.524 19.000 0.471 0.000 0.819 226 A HN 0.298 nan 8.150 nan 0.000 0.448 227 L N -1.182 120.215 121.223 0.290 0.000 2.109 227 L HA -0.210 4.147 4.340 0.029 0.000 0.207 227 L C 2.864 179.828 176.870 0.156 0.000 1.086 227 L CA 1.622 56.610 54.840 0.246 0.000 0.760 227 L CB -0.526 41.651 42.059 0.196 0.000 0.910 227 L HN 0.625 nan 8.230 nan 0.000 0.437 228 Q N 0.377 120.247 119.800 0.116 0.000 2.014 228 Q HA -0.275 4.083 4.340 0.029 0.000 0.207 228 Q C 2.292 178.314 176.000 0.037 0.000 0.993 228 Q CA 2.299 58.137 55.803 0.058 0.000 0.850 228 Q CB -0.164 28.598 28.738 0.041 0.000 0.916 228 Q HN 0.487 nan 8.270 nan 0.000 0.417 229 A N 0.812 123.657 122.820 0.042 0.000 1.940 229 A HA -0.180 4.157 4.320 0.029 0.000 0.219 229 A C 2.089 179.666 177.584 -0.013 0.000 1.176 229 A CA 1.313 53.341 52.037 -0.014 0.000 0.631 229 A CB -0.825 18.138 19.000 -0.062 0.000 0.814 229 A HN 0.558 nan 8.150 nan 0.000 0.446 230 L N -0.553 120.693 121.223 0.037 0.000 2.141 230 L HA -0.072 4.285 4.340 0.029 0.000 0.209 230 L C 1.998 178.916 176.870 0.079 0.000 1.094 230 L CA 0.877 55.766 54.840 0.081 0.000 0.763 230 L CB -0.366 41.830 42.059 0.228 0.000 0.908 230 L HN 0.474 nan 8.230 nan 0.000 0.437 231 G N -0.379 108.447 108.800 0.043 0.000 3.397 231 G HA2 -0.091 3.886 3.960 0.029 0.000 0.248 231 G HA3 -0.091 3.886 3.960 0.029 0.000 0.248 231 G C 0.956 175.813 174.900 -0.072 0.000 1.284 231 G CA 0.032 45.126 45.100 -0.011 0.000 1.570 231 G HN 0.324 nan 8.290 nan 0.000 0.587 232 K N -0.959 119.371 120.400 -0.117 0.000 2.521 232 K HA 0.143 4.481 4.320 0.029 0.000 0.213 232 K C 0.646 176.878 176.600 -0.614 0.000 1.223 232 K CA -0.211 55.876 56.287 -0.333 0.000 1.013 232 K CB 0.472 32.745 32.500 -0.378 0.000 1.017 232 K HN 0.351 nan 8.250 nan 0.000 0.591 233 H N -1.104 117.938 119.070 -0.047 0.000 3.876 233 H HA 0.237 4.810 4.556 0.029 0.000 0.262 233 H C -0.540 174.770 175.328 -0.030 0.000 1.158 233 H CA -0.198 55.825 56.048 -0.041 0.000 1.170 233 H CB 1.160 30.892 29.762 -0.050 0.000 1.528 233 H HN -0.009 nan 8.280 nan 0.000 0.689 234 I N 1.696 122.303 120.570 0.062 0.000 2.785 234 I HA 0.157 4.344 4.170 0.029 0.000 0.302 234 I C -0.255 175.830 176.117 -0.054 0.000 1.069 234 I CA -0.808 60.507 61.300 0.025 0.000 1.045 234 I CB 2.520 40.562 38.000 0.070 0.000 1.236 234 I HN -0.137 nan 8.210 nan 0.000 0.429 235 E N 5.797 125.930 120.200 -0.112 0.000 2.044 235 E HA 0.384 4.752 4.350 0.029 0.000 0.282 235 E C -0.748 175.589 176.600 -0.439 0.000 1.031 235 E CA -0.067 56.172 56.400 -0.270 0.000 0.824 235 E CB 0.841 30.390 29.700 -0.251 0.000 1.076 235 E HN 0.344 nan 8.360 nan 0.000 0.395 236 I N 4.531 124.875 120.570 -0.377 0.000 2.330 236 I HA 0.108 4.295 4.170 0.029 0.000 0.286 236 I C 0.066 176.010 176.117 -0.288 0.000 1.025 236 I CA -0.576 60.547 61.300 -0.294 0.000 1.197 236 I CB 0.554 38.503 38.000 -0.086 0.000 1.358 236 I HN 0.213 nan 8.210 nan 0.000 0.467 237 H N 7.607 126.646 119.070 -0.051 0.000 2.746 237 H HA 0.257 4.831 4.556 0.029 0.000 0.269 237 H C -0.337 175.131 175.328 0.233 0.000 1.248 237 H CA -0.458 55.687 56.048 0.162 0.000 1.258 237 H CB 1.385 31.063 29.762 -0.140 0.000 1.441 237 H HN 0.488 nan 8.280 nan 0.000 0.508 238 L N 4.856 126.325 121.223 0.411 0.000 2.282 238 L HA 0.161 4.518 4.340 0.029 0.000 0.287 238 L C -0.870 176.278 176.870 0.464 0.000 1.075 238 L CA -0.885 54.165 54.840 0.350 0.000 0.839 238 L CB 0.123 42.335 42.059 0.254 0.000 1.219 238 L HN 0.295 nan 8.230 nan 0.000 0.434 239 L N 6.844 128.291 121.223 0.373 0.000 2.334 239 L HA 0.244 4.601 4.340 0.029 0.000 0.286 239 L C -0.330 176.742 176.870 0.335 0.000 1.108 239 L CA 0.301 55.329 54.840 0.314 0.000 0.875 239 L CB 0.008 42.174 42.059 0.179 0.000 1.246 239 L HN 0.415 nan 8.230 nan 0.000 0.439 240 F N 2.708 122.759 119.950 0.170 0.000 2.405 240 F HA 0.427 4.971 4.527 0.029 0.000 0.355 240 F C 0.709 176.559 175.800 0.083 0.000 1.121 240 F CA -1.168 56.914 58.000 0.138 0.000 1.112 240 F CB 1.074 40.121 39.000 0.078 0.000 1.126 240 F HN 0.447 nan 8.300 nan 0.000 0.481 241 T N 5.283 119.683 114.554 -0.256 0.000 2.739 241 T HA 0.241 4.609 4.350 0.029 0.000 0.298 241 T C -0.381 173.880 174.700 -0.732 0.000 0.929 241 T CA -0.632 61.234 62.100 -0.390 0.000 1.014 241 T CB -0.334 68.460 68.868 -0.122 0.000 0.914 241 T HN 0.647 nan 8.240 nan 0.000 0.509 242 N N 5.132 123.376 118.700 -0.759 0.000 2.421 242 N HA 0.359 5.117 4.740 0.029 0.000 0.285 242 N C -1.539 174.012 175.510 0.069 0.000 1.027 242 N CA -2.360 50.471 53.050 -0.365 0.000 0.918 242 N CB 2.327 40.792 38.487 -0.038 0.000 1.152 242 N HN 0.412 nan 8.380 nan 0.000 0.485 243 P HA 0.045 nan 4.420 nan 0.000 0.233 243 P C 0.299 177.522 177.300 -0.128 0.000 1.167 243 P CA 0.254 63.322 63.100 -0.054 0.000 0.770 243 P CB 0.407 32.010 31.700 -0.162 0.000 0.837 244 C N 1.145 120.391 119.300 -0.091 0.000 2.698 244 C HA 0.444 4.921 4.460 0.029 0.000 0.309 244 C C 2.200 177.022 174.990 -0.280 0.000 1.186 244 C CA -0.769 58.097 59.018 -0.253 0.000 1.474 244 C CB 1.425 28.838 27.740 -0.545 0.000 2.020 244 C HN 0.221 nan 8.230 nan 0.000 0.474 245 R N 2.883 122.891 120.500 -0.820 0.000 2.093 245 R HA 0.040 4.398 4.340 0.029 0.000 0.224 245 R C 0.157 176.111 176.300 -0.577 0.000 1.101 245 R CA 0.768 55.886 56.100 -1.636 0.000 0.979 245 R CB -0.431 29.021 30.300 -1.412 0.000 0.877 245 R HN 0.777 nan 8.270 nan 0.000 0.441 246 Y N 0.096 120.275 120.300 -0.203 0.000 2.260 246 Y HA 0.077 4.644 4.550 0.029 0.000 0.339 246 Y C -0.023 176.028 175.900 0.252 0.000 1.317 246 Y CA -1.458 56.654 58.100 0.020 0.000 1.514 246 Y CB 0.238 38.719 38.460 0.035 0.000 1.382 246 Y HN -0.086 nan 8.280 nan 0.000 0.581 247 Y N 2.577 123.076 120.300 0.332 0.000 2.365 247 Y HA 0.043 4.611 4.550 0.029 0.000 0.340 247 Y C 0.058 176.164 175.900 0.344 0.000 1.016 247 Y CA -1.231 57.037 58.100 0.280 0.000 1.196 247 Y CB 0.359 38.882 38.460 0.106 0.000 1.167 247 Y HN 0.601 nan 8.280 nan 0.000 0.509 248 W N 4.752 125.888 121.300 -0.274 0.000 3.005 248 W HA 0.507 5.184 4.660 0.029 0.000 0.374 248 W C 0.090 176.456 176.519 -0.255 0.000 1.076 248 W CA -0.329 56.927 57.345 -0.148 0.000 1.794 248 W CB -0.874 28.567 29.460 -0.031 0.000 1.113 248 W HN 0.710 nan 8.180 nan 0.000 0.584 249 G N 1.660 109.832 108.800 -1.048 0.000 2.563 249 G HA2 0.261 4.238 3.960 0.029 0.000 0.283 249 G HA3 0.261 4.238 3.960 0.029 0.000 0.283 249 G C -0.319 174.630 174.900 0.082 0.000 1.309 249 G CA -0.314 44.429 45.100 -0.595 0.000 1.022 249 G HN -0.133 nan 8.290 nan 0.000 0.501 250 D N -1.240 119.298 120.400 0.230 0.000 2.466 250 D HA 0.451 5.108 4.640 0.029 0.000 0.262 250 D C -0.169 176.438 176.300 0.511 0.000 1.177 250 D CA -0.098 54.080 54.000 0.296 0.000 1.035 250 D CB 1.707 42.577 40.800 0.117 0.000 1.105 250 D HN -0.008 nan 8.370 nan 0.000 0.551 251 I N 0.511 121.308 120.570 0.379 0.000 2.730 251 I HA 0.128 4.315 4.170 0.029 0.000 0.298 251 I C 0.726 177.078 176.117 0.391 0.000 1.089 251 I CA -0.521 61.015 61.300 0.393 0.000 1.041 251 I CB 2.282 40.391 38.000 0.181 0.000 1.235 251 I HN 0.228 nan 8.210 nan 0.000 0.423 252 K N 3.021 123.730 120.400 0.514 0.000 2.293 252 K HA 0.110 4.447 4.320 0.029 0.000 0.198 252 K C -0.286 176.442 176.600 0.214 0.000 1.066 252 K CA 0.011 56.483 56.287 0.309 0.000 1.070 252 K CB 0.019 32.605 32.500 0.143 0.000 1.374 252 K HN 0.562 nan 8.250 nan 0.000 0.461 253 D N 1.665 122.185 120.400 0.200 0.000 2.255 253 D HA 0.095 4.752 4.640 0.029 0.000 0.249 253 D C -2.159 174.222 176.300 0.134 0.000 1.078 253 D CA -1.496 52.584 54.000 0.134 0.000 0.896 253 D CB 1.081 41.940 40.800 0.099 0.000 1.194 253 D HN 0.035 nan 8.370 nan 0.000 0.429 254 P HA -0.031 nan 4.420 nan 0.000 0.242 254 P C 0.552 177.880 177.300 0.046 0.000 1.198 254 P CA 0.569 63.705 63.100 0.060 0.000 0.756 254 P CB 0.242 31.972 31.700 0.050 0.000 0.911 255 A N -1.679 121.182 122.820 0.070 0.000 2.014 255 A HA -0.078 4.259 4.320 0.029 0.000 0.210 255 A C 1.863 179.501 177.584 0.089 0.000 1.188 255 A CA 0.388 52.462 52.037 0.060 0.000 0.731 255 A CB -1.221 17.813 19.000 0.056 0.000 0.858 255 A HN 0.133 nan 8.150 nan 0.000 0.464 256 Y N 1.769 122.051 120.300 -0.029 0.000 2.509 256 Y HA -0.036 4.531 4.550 0.029 0.000 0.293 256 Y C 1.716 177.567 175.900 -0.081 0.000 1.133 256 Y CA 0.879 58.945 58.100 -0.057 0.000 1.283 256 Y CB -0.372 38.056 38.460 -0.053 0.000 1.001 256 Y HN 0.298 nan 8.280 nan 0.000 0.555 257 L N 0.517 121.646 121.223 -0.158 0.000 2.017 257 L HA 0.032 4.390 4.340 0.029 0.000 0.208 257 L C 2.336 179.065 176.870 -0.234 0.000 1.073 257 L CA 2.273 56.958 54.840 -0.258 0.000 0.745 257 L CB -1.800 40.190 42.059 -0.115 0.000 0.894 257 L HN 0.021 nan 8.230 nan 0.000 0.432 258 A N -0.514 122.230 122.820 -0.127 0.000 2.119 258 A HA -0.060 4.277 4.320 0.029 0.000 0.217 258 A C 2.173 179.689 177.584 -0.112 0.000 1.153 258 A CA 1.189 53.169 52.037 -0.096 0.000 0.692 258 A CB -0.613 18.361 19.000 -0.043 0.000 0.799 258 A HN 0.580 nan 8.150 nan 0.000 0.458 259 K N -0.630 119.689 120.400 -0.136 0.000 2.459 259 K HA 0.254 4.592 4.320 0.029 0.000 0.193 259 K C 0.992 177.473 176.600 -0.198 0.000 1.030 259 K CA 0.236 56.456 56.287 -0.111 0.000 1.026 259 K CB 0.036 32.527 32.500 -0.015 0.000 0.809 259 K HN 0.438 nan 8.250 nan 0.000 0.504 260 L N 0.434 121.464 121.223 -0.322 0.000 2.556 260 L HA 0.115 4.472 4.340 0.029 0.000 0.226 260 L C 1.196 177.907 176.870 -0.266 0.000 1.089 260 L CA 0.148 54.753 54.840 -0.391 0.000 0.864 260 L CB 0.194 41.856 42.059 -0.663 0.000 1.067 260 L HN 0.114 nan 8.230 nan 0.000 0.477 261 L N 0.415 121.519 121.223 -0.198 0.000 2.762 261 L HA -0.016 4.341 4.340 0.029 0.000 0.250 261 L C 1.644 178.451 176.870 -0.106 0.000 1.160 261 L CA -0.107 54.653 54.840 -0.134 0.000 0.951 261 L CB -1.592 40.411 42.059 -0.093 0.000 1.148 261 L HN 0.377 nan 8.230 nan 0.000 0.424 262 T N -1.600 112.887 114.554 -0.112 0.000 4.604 262 T HA 0.284 4.652 4.350 0.029 0.000 0.390 262 T C 0.562 175.221 174.700 -0.068 0.000 1.141 262 T CA -0.261 61.790 62.100 -0.083 0.000 0.919 262 T CB 0.612 69.433 68.868 -0.079 0.000 1.732 262 T HN 0.255 nan 8.240 nan 0.000 0.490 263 R N -0.079 120.389 120.500 -0.054 0.000 2.629 263 R HA 0.341 4.698 4.340 0.029 0.000 0.266 263 R C -1.306 174.978 176.300 -0.027 0.000 1.051 263 R CA -0.769 55.310 56.100 -0.035 0.000 0.895 263 R CB 2.100 32.383 30.300 -0.028 0.000 1.246 263 R HN 0.695 nan 8.270 nan 0.000 0.459 264 Q N 2.274 122.068 119.800 -0.009 0.000 2.256 264 Q HA 0.407 4.764 4.340 0.029 0.000 0.257 264 Q C -0.575 175.437 176.000 0.020 0.000 0.936 264 Q CA -0.872 54.928 55.803 -0.006 0.000 0.903 264 Q CB 2.722 31.457 28.738 -0.003 0.000 1.263 264 Q HN 0.334 nan 8.270 nan 0.000 0.440 265 R N 1.860 122.368 120.500 0.014 0.000 2.457 265 R HA 0.340 4.697 4.340 0.029 0.000 0.284 265 R C -0.481 175.857 176.300 0.063 0.000 1.024 265 R CA -0.604 55.517 56.100 0.034 0.000 1.025 265 R CB 1.138 31.445 30.300 0.011 0.000 1.063 265 R HN 0.601 nan 8.270 nan 0.000 0.493 266 R N 1.630 122.183 120.500 0.088 0.000 2.643 266 R HA -0.058 4.299 4.340 0.029 0.000 0.270 266 R C 1.342 177.731 176.300 0.149 0.000 1.061 266 R CA -0.082 56.076 56.100 0.097 0.000 1.107 266 R CB 0.449 30.762 30.300 0.023 0.000 0.999 266 R HN 0.757 nan 8.270 nan 0.000 0.460 267 H N 1.449 120.599 119.070 0.134 0.000 2.460 267 H HA -0.091 4.482 4.556 0.029 0.000 0.297 267 H C 0.315 175.770 175.328 0.211 0.000 1.103 267 H CA 2.379 58.540 56.048 0.188 0.000 1.292 267 H CB 0.654 30.568 29.762 0.253 0.000 1.376 267 H HN 0.522 nan 8.280 nan 0.000 0.531 268 S N -1.213 114.701 115.700 0.357 0.000 2.613 268 S HA 0.185 4.672 4.470 0.029 0.000 0.235 268 S C 0.943 175.853 174.600 0.516 0.000 1.073 268 S CA -0.472 57.995 58.200 0.445 0.000 0.899 268 S CB 0.419 64.005 63.200 0.644 0.000 0.818 268 S HN 0.207 nan 8.310 nan 0.000 0.484 269 F N 1.962 121.957 119.950 0.074 0.000 2.513 269 F HA 0.492 5.037 4.527 0.029 0.000 0.184 269 F C 0.455 176.273 175.800 0.030 0.000 0.900 269 F CA -0.848 57.183 58.000 0.051 0.000 1.005 269 F CB 0.293 39.328 39.000 0.059 0.000 2.250 269 F HN -0.119 nan 8.300 nan 0.000 0.682 270 E N 0.169 120.528 120.200 0.266 0.000 2.352 270 E HA 0.155 4.522 4.350 0.029 0.000 0.280 270 E C -1.933 174.723 176.600 0.093 0.000 0.930 270 E CA -0.873 55.605 56.400 0.129 0.000 0.765 270 E CB 2.198 31.948 29.700 0.083 0.000 1.219 270 E HN 0.321 nan 8.360 nan 0.000 0.434 271 D N 1.368 121.802 120.400 0.057 0.000 5.025 271 D HA -0.207 4.450 4.640 0.029 0.000 0.138 271 D C -0.364 175.961 176.300 0.041 0.000 1.367 271 D CA 1.450 55.472 54.000 0.036 0.000 1.098 271 D CB 0.297 41.106 40.800 0.014 0.000 0.789 271 D HN 0.459 nan 8.370 nan 0.000 0.401 272 R N 0.629 121.149 120.500 0.035 0.000 2.829 272 R HA 0.744 5.101 4.340 0.029 0.000 0.267 272 R C -0.670 175.648 176.300 0.030 0.000 1.051 272 R CA -0.917 55.208 56.100 0.042 0.000 0.927 272 R CB 1.805 32.148 30.300 0.071 0.000 1.292 272 R HN 0.383 nan 8.270 nan 0.000 0.445 273 E N 0.384 120.611 120.200 0.044 0.000 2.348 273 E HA 0.114 4.482 4.350 0.029 0.000 0.273 273 E C -1.529 175.071 176.600 -0.001 0.000 1.244 273 E CA -0.512 55.905 56.400 0.029 0.000 0.943 273 E CB 0.278 29.965 29.700 -0.021 0.000 1.332 273 E HN 0.506 nan 8.360 nan 0.000 0.397 274 L N 0.540 121.733 121.223 -0.051 0.000 2.529 274 L HA 0.359 4.717 4.340 0.029 0.000 0.287 274 L C -1.605 175.051 176.870 -0.357 0.000 1.241 274 L CA -0.890 53.780 54.840 -0.283 0.000 0.857 274 L CB -0.647 41.320 42.059 -0.155 0.000 1.113 274 L HN 0.230 nan 8.230 nan 0.000 0.504 275 P HA 0.184 nan 4.420 nan 0.000 0.276 275 P C 0.164 177.356 177.300 -0.180 0.000 1.252 275 P CA -0.534 62.352 63.100 -0.357 0.000 0.802 275 P CB 1.522 32.955 31.700 -0.445 0.000 1.035 276 L N -0.337 120.839 121.223 -0.077 0.000 3.600 276 L HA -0.286 4.071 4.340 0.029 0.000 0.424 276 L C 0.768 177.710 176.870 0.121 0.000 1.260 276 L CA 0.029 54.872 54.840 0.005 0.000 0.883 276 L CB -1.312 40.727 42.059 -0.032 0.000 1.895 276 L HN 0.417 nan 8.230 nan 0.000 0.827 277 F N -0.495 119.407 119.950 -0.081 0.000 2.636 277 F HA -0.516 4.028 4.527 0.029 0.000 0.222 277 F C 1.935 177.692 175.800 -0.071 0.000 1.471 277 F CA 2.893 60.853 58.000 -0.067 0.000 1.965 277 F CB -0.786 38.183 39.000 -0.050 0.000 0.463 277 F HN 0.326 nan 8.300 nan 0.000 0.244 278 R N -0.024 120.600 120.500 0.208 0.000 2.055 278 R HA -0.020 4.337 4.340 0.029 0.000 0.221 278 R C 1.688 177.942 176.300 -0.077 0.000 1.154 278 R CA 0.746 56.820 56.100 -0.043 0.000 0.975 278 R CB -0.696 29.401 30.300 -0.338 0.000 0.869 278 R HN 0.586 nan 8.270 nan 0.000 0.437 279 D N 1.114 121.437 120.400 -0.129 0.000 3.111 279 D HA -0.295 4.362 4.640 0.029 0.000 0.190 279 D C 1.850 178.097 176.300 -0.087 0.000 1.141 279 D CA 2.406 56.345 54.000 -0.103 0.000 0.888 279 D CB -0.341 40.410 40.800 -0.082 0.000 0.905 279 D HN 0.285 nan 8.370 nan 0.000 0.497 280 S N 1.030 116.692 115.700 -0.064 0.000 2.354 280 S HA -0.237 4.250 4.470 0.029 0.000 0.219 280 S C 1.886 176.443 174.600 -0.072 0.000 1.035 280 S CA 1.423 59.582 58.200 -0.070 0.000 1.037 280 S CB -0.760 62.399 63.200 -0.069 0.000 0.956 280 S HN 0.400 nan 8.310 nan 0.000 0.428 281 E N 1.803 121.970 120.200 -0.054 0.000 2.097 281 E HA -0.162 4.205 4.350 0.029 0.000 0.196 281 E C 1.944 178.507 176.600 -0.063 0.000 1.000 281 E CA 1.087 57.458 56.400 -0.048 0.000 0.804 281 E CB -0.279 29.396 29.700 -0.041 0.000 0.740 281 E HN 0.425 nan 8.360 nan 0.000 0.454 282 N N 0.183 118.837 118.700 -0.078 0.000 2.050 282 N HA -0.130 4.627 4.740 0.029 0.000 0.178 282 N C 1.288 176.686 175.510 -0.187 0.000 1.104 282 N CA 1.092 54.087 53.050 -0.090 0.000 0.943 282 N CB -0.649 37.785 38.487 -0.087 0.000 1.030 282 N HN 0.144 nan 8.380 nan 0.000 0.437 283 A N -0.850 121.850 122.820 -0.201 0.000 5.222 283 A HA -0.290 4.047 4.320 0.029 0.000 0.373 283 A C 1.584 178.698 177.584 -0.784 0.000 1.531 283 A CA 3.288 55.136 52.037 -0.314 0.000 0.751 283 A CB -1.741 17.123 19.000 -0.226 0.000 1.543 283 A HN 0.727 nan 8.150 nan 0.000 0.434 284 G N -2.142 106.181 108.800 -0.796 0.000 2.727 284 G HA2 0.386 4.363 3.960 0.029 0.000 0.207 284 G HA3 0.386 4.363 3.960 0.029 0.000 0.207 284 G C 0.404 174.983 174.900 -0.534 0.000 1.060 284 G CA 0.680 44.989 45.100 -1.318 0.000 0.814 284 G HN 0.808 nan 8.290 nan 0.000 0.576 285 Q N 1.021 120.658 119.800 -0.272 0.000 2.256 285 Q HA 0.378 4.736 4.340 0.029 0.000 0.281 285 Q C -0.002 175.985 176.000 -0.021 0.000 1.162 285 Q CA 0.243 56.000 55.803 -0.076 0.000 0.943 285 Q CB 0.040 28.755 28.738 -0.038 0.000 1.195 285 Q HN 0.376 nan 8.270 nan 0.000 0.403 286 L N 1.805 123.067 121.223 0.066 0.000 3.471 286 L HA -0.211 4.146 4.340 0.029 0.000 0.454 286 L C 0.038 177.016 176.870 0.180 0.000 1.286 286 L CA -0.135 54.780 54.840 0.124 0.000 0.872 286 L CB -2.179 39.942 42.059 0.102 0.000 1.842 286 L HN 0.636 nan 8.230 nan 0.000 0.801 287 F N 0.632 120.612 119.950 0.049 0.000 2.313 287 F HA 0.018 4.562 4.527 0.029 0.000 0.288 287 F C 2.041 177.862 175.800 0.034 0.000 1.274 287 F CA 0.735 58.757 58.000 0.035 0.000 1.241 287 F CB 0.294 39.313 39.000 0.031 0.000 1.409 287 F HN 0.445 nan 8.300 nan 0.000 0.511 288 N N 0.352 119.138 118.700 0.145 0.000 1.122 288 N HA -0.425 4.332 4.740 0.029 0.000 0.145 288 N C 1.048 176.594 175.510 0.060 0.000 0.360 288 N CA 3.345 56.383 53.050 -0.020 0.000 1.017 288 N CB -1.054 37.381 38.487 -0.088 0.000 1.540 288 N HN 0.560 nan 8.380 nan 0.000 0.447 289 S N -1.676 114.056 115.700 0.054 0.000 2.741 289 S HA 0.210 4.697 4.470 0.029 0.000 0.245 289 S C 0.514 175.162 174.600 0.081 0.000 1.083 289 S CA 0.471 58.708 58.200 0.062 0.000 0.873 289 S CB -0.358 62.863 63.200 0.036 0.000 0.814 289 S HN 0.700 nan 8.310 nan 0.000 0.476 290 D N 2.501 122.948 120.400 0.078 0.000 1.774 290 D HA 0.383 5.041 4.640 0.029 0.000 0.240 290 D C 1.129 177.495 176.300 0.110 0.000 1.148 290 D CA 0.635 54.685 54.000 0.082 0.000 0.934 290 D CB -0.746 40.102 40.800 0.079 0.000 1.519 290 D HN 0.483 nan 8.370 nan 0.000 0.520 291 G N -1.784 107.082 108.800 0.110 0.000 3.039 291 G HA2 0.275 4.252 3.960 0.029 0.000 0.159 291 G HA3 0.275 4.252 3.960 0.029 0.000 0.159 291 G C -0.886 174.101 174.900 0.144 0.000 1.284 291 G CA -0.748 44.431 45.100 0.131 0.000 0.996 291 G HN 0.507 nan 8.290 nan 0.000 0.592 292 E N 0.431 120.718 120.200 0.145 0.000 1.833 292 E HA 0.053 4.421 4.350 0.029 0.000 0.258 292 E C 1.303 177.975 176.600 0.120 0.000 1.257 292 E CA -0.135 56.346 56.400 0.135 0.000 1.003 292 E CB 0.558 30.349 29.700 0.153 0.000 1.068 292 E HN 0.440 nan 8.360 nan 0.000 0.422 293 Q N 2.719 122.600 119.800 0.135 0.000 2.522 293 Q HA -0.225 4.132 4.340 0.029 0.000 0.216 293 Q C 0.679 176.742 176.000 0.105 0.000 0.986 293 Q CA 1.896 57.791 55.803 0.152 0.000 0.901 293 Q CB 0.176 29.084 28.738 0.283 0.000 0.954 293 Q HN 0.501 nan 8.270 nan 0.000 0.502 294 D N -2.156 118.287 120.400 0.072 0.000 2.457 294 D HA 0.016 4.673 4.640 0.029 0.000 0.254 294 D C 0.244 176.578 176.300 0.056 0.000 1.097 294 D CA 0.732 54.762 54.000 0.050 0.000 0.870 294 D CB 0.669 41.479 40.800 0.015 0.000 1.253 294 D HN -0.003 nan 8.370 nan 0.000 0.500 295 V N 1.205 121.172 119.914 0.088 0.000 4.288 295 V HA -0.280 3.857 4.120 0.029 0.000 0.203 295 V C 1.793 177.925 176.094 0.063 0.000 0.611 295 V CA 1.052 63.422 62.300 0.117 0.000 0.871 295 V CB -2.417 29.488 31.823 0.136 0.000 0.883 295 V HN 0.458 nan 8.190 nan 0.000 0.957 296 G N 0.098 108.929 108.800 0.052 0.000 2.684 296 G HA2 -0.481 3.497 3.960 0.029 0.000 0.358 296 G HA3 -0.481 3.497 3.960 0.029 0.000 0.358 296 G C 0.409 175.294 174.900 -0.025 0.000 1.164 296 G CA 0.929 46.044 45.100 0.025 0.000 0.935 296 G HN 0.971 nan 8.290 nan 0.000 0.574 297 N N 3.001 121.659 118.700 -0.070 0.000 2.365 297 N HA 0.053 4.811 4.740 0.029 0.000 0.265 297 N C -0.522 174.841 175.510 -0.245 0.000 1.288 297 N CA -0.263 52.684 53.050 -0.172 0.000 0.869 297 N CB 1.294 39.651 38.487 -0.217 0.000 1.071 297 N HN 0.259 nan 8.380 nan 0.000 0.480 298 P HA -0.081 nan 4.420 nan 0.000 0.226 298 P C 1.487 178.490 177.300 -0.496 0.000 1.153 298 P CA 0.762 63.667 63.100 -0.325 0.000 0.777 298 P CB 0.512 32.050 31.700 -0.270 0.000 0.794 299 L N -0.856 119.929 121.223 -0.729 0.000 2.049 299 L HA -0.049 4.308 4.340 0.029 0.000 0.203 299 L C 2.558 178.937 176.870 -0.818 0.000 1.074 299 L CA 0.756 54.952 54.840 -1.073 0.000 0.749 299 L CB -1.117 40.259 42.059 -1.138 0.000 0.907 299 L HN -0.041 nan 8.230 nan 0.000 0.439 300 L N 0.328 121.252 121.223 -0.499 0.000 2.349 300 L HA -0.138 4.219 4.340 0.029 0.000 0.220 300 L C 2.347 179.152 176.870 -0.110 0.000 1.130 300 L CA 1.514 56.176 54.840 -0.297 0.000 0.791 300 L CB -0.492 41.338 42.059 -0.382 0.000 0.918 300 L HN 0.164 nan 8.230 nan 0.000 0.444 301 A N -0.897 121.830 122.820 -0.155 0.000 1.840 301 A HA -0.139 4.199 4.320 0.029 0.000 0.214 301 A C 2.399 180.010 177.584 0.046 0.000 1.198 301 A CA 1.521 53.547 52.037 -0.018 0.000 0.608 301 A CB -1.030 17.933 19.000 -0.061 0.000 0.839 301 A HN 0.571 nan 8.150 nan 0.000 0.443 302 S N -2.266 113.416 115.700 -0.030 0.000 2.527 302 S HA -0.033 4.454 4.470 0.029 0.000 0.222 302 S C 1.448 176.291 174.600 0.405 0.000 0.985 302 S CA 0.602 58.884 58.200 0.137 0.000 0.921 302 S CB -0.346 62.931 63.200 0.127 0.000 0.772 302 S HN 0.657 nan 8.310 nan 0.000 0.529 303 W N 1.621 122.999 121.300 0.129 0.000 2.846 303 W HA 0.495 5.172 4.660 0.029 0.000 0.273 303 W C 2.394 179.100 176.519 0.312 0.000 1.081 303 W CA -0.165 57.290 57.345 0.184 0.000 1.692 303 W CB -1.353 28.202 29.460 0.159 0.000 1.106 303 W HN 0.354 nan 8.180 nan 0.000 0.577 304 G N 1.532 110.693 108.800 0.603 0.000 2.780 304 G HA2 -0.217 3.761 3.960 0.029 0.000 0.205 304 G HA3 -0.217 3.761 3.960 0.029 0.000 0.205 304 G C 1.405 176.683 174.900 0.630 0.000 1.158 304 G CA 0.491 46.077 45.100 0.811 0.000 0.812 304 G HN 0.234 nan 8.290 nan 0.000 0.521 305 K N -0.498 120.150 120.400 0.413 0.000 2.127 305 K HA -0.223 4.114 4.320 0.029 0.000 0.212 305 K C 2.246 178.910 176.600 0.106 0.000 1.050 305 K CA 1.529 57.951 56.287 0.226 0.000 0.929 305 K CB -0.278 32.324 32.500 0.169 0.000 0.715 305 K HN 0.465 nan 8.250 nan 0.000 0.457 306 L N 0.195 121.443 121.223 0.043 0.000 2.093 306 L HA -0.077 4.281 4.340 0.029 0.000 0.208 306 L C 2.232 178.957 176.870 -0.242 0.000 1.085 306 L CA 1.573 56.312 54.840 -0.167 0.000 0.755 306 L CB -0.536 41.334 42.059 -0.316 0.000 0.904 306 L HN 0.233 nan 8.230 nan 0.000 0.435 307 G N -0.028 108.651 108.800 -0.202 0.000 2.433 307 G HA2 -0.248 3.729 3.960 0.029 0.000 0.216 307 G HA3 -0.248 3.729 3.960 0.029 0.000 0.216 307 G C 1.512 176.304 174.900 -0.180 0.000 1.186 307 G CA 0.824 45.983 45.100 0.099 0.000 0.779 307 G HN 0.394 nan 8.290 nan 0.000 0.543 308 R N 0.709 120.997 120.500 -0.353 0.000 2.136 308 R HA -0.147 4.210 4.340 0.029 0.000 0.242 308 R C 2.189 178.316 176.300 -0.288 0.000 1.131 308 R CA 1.736 57.497 56.100 -0.566 0.000 0.937 308 R CB -0.827 29.326 30.300 -0.246 0.000 0.863 308 R HN 0.227 nan 8.270 nan 0.000 0.435 309 D N 0.096 120.404 120.400 -0.152 0.000 2.127 309 D HA -0.226 4.432 4.640 0.029 0.000 0.190 309 D C 1.787 178.096 176.300 0.014 0.000 1.000 309 D CA 1.430 55.383 54.000 -0.078 0.000 0.839 309 D CB -0.631 40.131 40.800 -0.063 0.000 0.955 309 D HN 0.226 nan 8.370 nan 0.000 0.446 310 Y N 0.687 120.883 120.300 -0.173 0.000 2.224 310 Y HA -0.143 4.425 4.550 0.029 0.000 0.289 310 Y C 2.135 177.893 175.900 -0.236 0.000 1.146 310 Y CA 0.798 58.768 58.100 -0.216 0.000 1.182 310 Y CB -0.245 38.016 38.460 -0.332 0.000 0.983 310 Y HN -0.041 nan 8.280 nan 0.000 0.524 311 I N -0.423 119.990 120.570 -0.263 0.000 2.353 311 I HA -0.279 3.908 4.170 0.029 0.000 0.248 311 I C 2.140 178.222 176.117 -0.058 0.000 1.119 311 I CA 1.510 62.664 61.300 -0.243 0.000 1.417 311 I CB -1.060 36.755 38.000 -0.308 0.000 1.078 311 I HN 0.378 nan 8.210 nan 0.000 0.421 312 Y N 1.525 121.731 120.300 -0.155 0.000 2.242 312 Y HA -0.163 4.404 4.550 0.029 0.000 0.291 312 Y C 2.240 178.169 175.900 0.048 0.000 1.137 312 Y CA 1.702 59.832 58.100 0.051 0.000 1.181 312 Y CB -0.321 38.153 38.460 0.022 0.000 0.989 312 Y HN 0.112 nan 8.280 nan 0.000 0.527 313 L N -0.594 120.722 121.223 0.155 0.000 2.240 313 L HA -0.124 4.233 4.340 0.029 0.000 0.211 313 L C 2.233 179.045 176.870 -0.097 0.000 1.106 313 L CA 0.572 55.435 54.840 0.038 0.000 0.793 313 L CB -0.449 41.647 42.059 0.060 0.000 0.927 313 L HN 0.279 nan 8.230 nan 0.000 0.446 314 L N -0.187 120.927 121.223 -0.182 0.000 2.109 314 L HA -0.101 4.256 4.340 0.029 0.000 0.207 314 L C 2.327 179.174 176.870 -0.038 0.000 1.086 314 L CA 1.234 55.967 54.840 -0.177 0.000 0.760 314 L CB -0.277 41.606 42.059 -0.293 0.000 0.910 314 L HN 0.335 nan 8.230 nan 0.000 0.437 315 S N -2.858 112.846 115.700 0.005 0.000 2.743 315 S HA -0.014 4.473 4.470 0.029 0.000 0.230 315 S C 0.662 175.259 174.600 -0.004 0.000 0.950 315 S CA 0.027 58.237 58.200 0.017 0.000 0.976 315 S CB -0.040 63.194 63.200 0.057 0.000 0.779 315 S HN 0.317 nan 8.310 nan 0.000 0.487 316 D N 0.378 120.750 120.400 -0.046 0.000 2.469 316 D HA 0.342 4.999 4.640 0.029 0.000 0.215 316 D C -0.026 176.240 176.300 -0.057 0.000 1.154 316 D CA -0.150 53.807 54.000 -0.072 0.000 0.832 316 D CB 0.340 41.007 40.800 -0.223 0.000 1.008 316 D HN 0.381 nan 8.370 nan 0.000 0.506 317 L N 0.482 121.683 121.223 -0.036 0.000 2.399 317 L HA 0.436 4.794 4.340 0.029 0.000 0.265 317 L C 0.877 177.734 176.870 -0.021 0.000 1.089 317 L CA -0.450 54.373 54.840 -0.028 0.000 0.802 317 L CB 1.380 43.426 42.059 -0.022 0.000 1.180 317 L HN -0.116 nan 8.230 nan 0.000 0.454 318 E N -0.255 119.932 120.200 -0.022 0.000 2.207 318 E HA -0.053 4.314 4.350 0.029 0.000 0.197 318 E C 1.671 178.254 176.600 -0.028 0.000 0.914 318 E CA 0.365 56.751 56.400 -0.024 0.000 0.914 318 E CB 0.082 29.767 29.700 -0.025 0.000 0.893 318 E HN 0.573 nan 8.360 nan 0.000 0.479 319 S N 0.921 116.604 115.700 -0.028 0.000 2.595 319 S HA -0.033 4.454 4.470 0.029 0.000 0.235 319 S C 0.694 175.273 174.600 -0.034 0.000 0.974 319 S CA 0.368 58.547 58.200 -0.036 0.000 0.942 319 S CB -0.596 62.581 63.200 -0.038 0.000 0.766 319 S HN 0.312 nan 8.310 nan 0.000 0.536 320 S N 0.457 116.141 115.700 -0.026 0.000 2.624 320 S HA 0.343 4.830 4.470 0.029 0.000 0.263 320 S C -0.156 174.423 174.600 -0.035 0.000 1.287 320 S CA -0.647 57.540 58.200 -0.023 0.000 0.990 320 S CB 1.053 64.248 63.200 -0.008 0.000 0.950 320 S HN 0.498 nan 8.310 nan 0.000 0.561 321 Q N 0.888 120.662 119.800 -0.044 0.000 3.712 321 Q HA 0.151 4.508 4.340 0.029 0.000 0.242 321 Q C -0.883 175.068 176.000 -0.082 0.000 0.837 321 Q CA -0.289 55.476 55.803 -0.064 0.000 0.826 321 Q CB 0.456 29.147 28.738 -0.078 0.000 1.529 321 Q HN 0.930 nan 8.270 nan 0.000 0.405 322 E N 1.948 122.123 120.200 -0.042 0.000 2.390 322 E HA 0.462 4.829 4.350 0.029 0.000 0.261 322 E C -0.466 176.097 176.600 -0.062 0.000 1.076 322 E CA -0.366 56.019 56.400 -0.024 0.000 0.905 322 E CB 0.717 30.413 29.700 -0.006 0.000 0.984 322 E HN 0.393 nan 8.360 nan 0.000 0.427 323 L N -1.159 120.045 121.223 -0.031 0.000 2.506 323 L HA 0.559 4.917 4.340 0.029 0.000 0.257 323 L C -1.103 175.832 176.870 0.108 0.000 0.964 323 L CA -1.450 53.398 54.840 0.014 0.000 0.836 323 L CB 1.769 43.822 42.059 -0.010 0.000 1.384 323 L HN 0.266 nan 8.230 nan 0.000 0.410 324 D N 1.197 121.683 120.400 0.144 0.000 2.372 324 D HA 0.637 5.294 4.640 0.029 0.000 0.243 324 D C 0.362 176.753 176.300 0.151 0.000 1.121 324 D CA 0.729 54.873 54.000 0.240 0.000 0.898 324 D CB 1.929 42.909 40.800 0.300 0.000 1.202 324 D HN 0.882 nan 8.370 nan 0.000 0.428 325 A N 1.869 124.712 122.820 0.037 0.000 2.474 325 A HA 0.156 4.493 4.320 0.029 0.000 0.249 325 A C -0.574 176.933 177.584 -0.128 0.000 0.891 325 A CA -0.499 51.519 52.037 -0.032 0.000 1.135 325 A CB -0.510 18.480 19.000 -0.016 0.000 1.191 325 A HN 0.357 nan 8.150 nan 0.000 0.471 326 F N 0.673 120.637 119.950 0.022 0.000 2.504 326 F HA 0.404 4.948 4.527 0.029 0.000 0.369 326 F C 0.587 176.364 175.800 -0.039 0.000 1.082 326 F CA 0.246 58.239 58.000 -0.013 0.000 1.216 326 F CB 1.085 40.071 39.000 -0.024 0.000 1.108 326 F HN -0.033 nan 8.300 nan 0.000 0.554 327 V N 3.818 123.791 119.914 0.098 0.000 2.532 327 V HA 0.197 4.334 4.120 0.029 0.000 0.295 327 V C 0.098 176.207 176.094 0.024 0.000 1.041 327 V CA -1.062 61.257 62.300 0.032 0.000 0.926 327 V CB 1.442 33.258 31.823 -0.011 0.000 0.992 327 V HN 0.589 nan 8.190 nan 0.000 0.457 328 D N 1.955 122.354 120.400 -0.002 0.000 2.363 328 D HA 0.257 4.914 4.640 0.029 0.000 0.240 328 D C -0.368 175.899 176.300 -0.054 0.000 1.236 328 D CA 0.107 54.092 54.000 -0.025 0.000 0.927 328 D CB 1.353 42.139 40.800 -0.023 0.000 1.150 328 D HN 0.250 nan 8.370 nan 0.000 0.458 329 V N 1.212 121.087 119.914 -0.065 0.000 2.454 329 V HA 0.083 4.220 4.120 0.029 0.000 0.267 329 V C -0.056 175.999 176.094 -0.065 0.000 0.993 329 V CA -0.805 61.432 62.300 -0.104 0.000 0.836 329 V CB 0.989 32.752 31.823 -0.101 0.000 1.055 329 V HN 0.630 nan 8.190 nan 0.000 0.452 330 T N 2.269 116.791 114.554 -0.054 0.000 2.792 330 T HA 0.160 4.527 4.350 0.029 0.000 0.286 330 T C -2.302 172.426 174.700 0.048 0.000 0.970 330 T CA -1.040 61.060 62.100 -0.001 0.000 1.187 330 T CB 0.577 69.451 68.868 0.010 0.000 0.915 330 T HN 0.301 nan 8.240 nan 0.000 0.529 331 P HA 0.118 nan 4.420 nan 0.000 0.238 331 P C 0.547 177.905 177.300 0.096 0.000 1.729 331 P CA -0.080 63.076 63.100 0.094 0.000 1.055 331 P CB -0.066 31.671 31.700 0.062 0.000 1.980 332 D N -1.479 118.998 120.400 0.128 0.000 2.324 332 D HA 0.017 4.675 4.640 0.029 0.000 0.212 332 D C 0.328 176.640 176.300 0.020 0.000 0.984 332 D CA 0.428 54.471 54.000 0.071 0.000 0.885 332 D CB 0.025 40.869 40.800 0.074 0.000 0.996 332 D HN 0.149 nan 8.370 nan 0.000 0.505 333 N N 0.674 119.367 118.700 -0.012 0.000 2.476 333 N HA 0.133 4.890 4.740 0.029 0.000 0.276 333 N C 0.945 176.430 175.510 -0.042 0.000 1.204 333 N CA -0.589 52.381 53.050 -0.132 0.000 0.974 333 N CB 2.173 40.391 38.487 -0.449 0.000 1.204 333 N HN -0.032 nan 8.380 nan 0.000 0.543 334 L N 0.865 122.034 121.223 -0.091 0.000 2.056 334 L HA 0.062 4.419 4.340 0.029 0.000 0.207 334 L C 1.884 178.754 176.870 0.000 0.000 1.078 334 L CA 1.428 56.206 54.840 -0.103 0.000 0.749 334 L CB -0.646 41.296 42.059 -0.195 0.000 0.901 334 L HN 0.563 nan 8.230 nan 0.000 0.433 335 L N -1.164 120.044 121.223 -0.024 0.000 1.994 335 L HA -0.247 4.110 4.340 0.029 0.000 0.208 335 L C 2.641 179.618 176.870 0.178 0.000 1.071 335 L CA 1.581 56.450 54.840 0.048 0.000 0.745 335 L CB -0.610 41.442 42.059 -0.012 0.000 0.892 335 L HN 0.406 nan 8.230 nan 0.000 0.431 336 H N 0.079 119.162 119.070 0.021 0.000 2.421 336 H HA -0.102 4.472 4.556 0.029 0.000 0.298 336 H C 2.131 177.481 175.328 0.036 0.000 1.087 336 H CA 1.111 57.172 56.048 0.021 0.000 1.330 336 H CB -0.435 29.335 29.762 0.013 0.000 1.388 336 H HN 0.414 nan 8.280 nan 0.000 0.526 337 N N 0.484 119.293 118.700 0.181 0.000 2.039 337 N HA -0.119 4.639 4.740 0.029 0.000 0.193 337 N C 2.048 177.646 175.510 0.147 0.000 1.044 337 N CA 0.943 54.083 53.050 0.150 0.000 0.847 337 N CB -0.204 38.404 38.487 0.202 0.000 1.030 337 N HN 0.196 nan 8.380 nan 0.000 0.422 338 I N 1.950 122.628 120.570 0.179 0.000 2.127 338 I HA -0.251 3.936 4.170 0.029 0.000 0.241 338 I C 2.318 178.512 176.117 0.129 0.000 1.075 338 I CA 1.283 62.712 61.300 0.214 0.000 1.334 338 I CB -1.319 36.822 38.000 0.233 0.000 1.040 338 I HN 0.256 nan 8.210 nan 0.000 0.405 339 Q N 0.007 119.869 119.800 0.103 0.000 2.152 339 Q HA -0.221 4.136 4.340 0.029 0.000 0.206 339 Q C 2.490 178.494 176.000 0.006 0.000 0.985 339 Q CA 2.116 57.946 55.803 0.044 0.000 0.863 339 Q CB -0.123 28.646 28.738 0.051 0.000 0.904 339 Q HN 0.434 nan 8.270 nan 0.000 0.422 340 S N 0.386 116.102 115.700 0.027 0.000 2.345 340 S HA -0.174 4.314 4.470 0.029 0.000 0.220 340 S C 1.337 175.926 174.600 -0.018 0.000 1.031 340 S CA 1.417 59.614 58.200 -0.004 0.000 0.996 340 S CB -0.227 62.984 63.200 0.019 0.000 0.882 340 S HN 0.320 nan 8.310 nan 0.000 0.445 341 D N 1.517 121.933 120.400 0.027 0.000 2.127 341 D HA -0.142 4.516 4.640 0.029 0.000 0.190 341 D C 1.916 178.185 176.300 -0.053 0.000 1.000 341 D CA 1.590 55.606 54.000 0.027 0.000 0.839 341 D CB -0.683 40.201 40.800 0.140 0.000 0.955 341 D HN 0.457 nan 8.370 nan 0.000 0.446 342 I N 0.714 121.237 120.570 -0.078 0.000 2.315 342 I HA -0.249 3.939 4.170 0.029 0.000 0.251 342 I C 2.543 178.537 176.117 -0.205 0.000 1.125 342 I CA 0.584 61.782 61.300 -0.169 0.000 1.392 342 I CB -0.098 37.804 38.000 -0.164 0.000 1.065 342 I HN 0.065 nan 8.210 nan 0.000 0.424 343 L N 0.203 121.329 121.223 -0.162 0.000 2.068 343 L HA -0.151 4.206 4.340 0.029 0.000 0.204 343 L C 2.117 178.795 176.870 -0.320 0.000 1.076 343 L CA 1.493 56.210 54.840 -0.205 0.000 0.753 343 L CB -0.109 41.867 42.059 -0.138 0.000 0.910 343 L HN 0.125 nan 8.230 nan 0.000 0.439 344 E N -0.076 119.973 120.200 -0.253 0.000 2.502 344 E HA -0.025 4.342 4.350 0.029 0.000 0.194 344 E C 0.562 177.073 176.600 -0.149 0.000 1.062 344 E CA -0.072 56.149 56.400 -0.297 0.000 0.867 344 E CB 0.022 29.645 29.700 -0.129 0.000 0.888 344 E HN 0.225 nan 8.360 nan 0.000 0.510 345 L N 0.928 122.079 121.223 -0.120 0.000 3.597 345 L HA -0.263 4.095 4.340 0.029 0.000 0.440 345 L C -1.027 175.866 176.870 0.038 0.000 1.277 345 L CA 0.984 55.813 54.840 -0.019 0.000 0.852 345 L CB -1.335 40.796 42.059 0.120 0.000 1.708 345 L HN 0.222 nan 8.230 nan 0.000 0.885 346 E N -0.486 119.722 120.200 0.013 0.000 2.288 346 E HA 0.509 4.876 4.350 0.029 0.000 0.268 346 E C -0.359 176.271 176.600 0.048 0.000 0.885 346 E CA -0.880 55.544 56.400 0.039 0.000 0.767 346 E CB 1.512 31.241 29.700 0.048 0.000 1.220 346 E HN 0.451 nan 8.360 nan 0.000 0.427 347 N N 1.103 119.839 118.700 0.061 0.000 2.444 347 N HA 0.138 4.895 4.740 0.029 0.000 0.262 347 N C -0.017 175.561 175.510 0.112 0.000 0.974 347 N CA -0.612 52.504 53.050 0.111 0.000 0.933 347 N CB 0.571 39.100 38.487 0.070 0.000 1.137 347 N HN 0.286 nan 8.380 nan 0.000 0.498 348 R N 1.955 122.542 120.500 0.144 0.000 2.427 348 R HA 0.229 4.587 4.340 0.029 0.000 0.262 348 R C -0.050 176.232 176.300 -0.030 0.000 0.943 348 R CA -0.265 55.843 56.100 0.014 0.000 1.081 348 R CB -0.088 30.169 30.300 -0.073 0.000 1.166 348 R HN 0.479 nan 8.270 nan 0.000 0.534 349 A N 1.055 123.924 122.820 0.083 0.000 2.425 349 A HA 0.373 4.710 4.320 0.029 0.000 0.249 349 A C 0.071 177.677 177.584 0.037 0.000 1.084 349 A CA -0.106 51.967 52.037 0.059 0.000 0.781 349 A CB 0.642 19.769 19.000 0.212 0.000 1.019 349 A HN 0.006 nan 8.150 nan 0.000 0.490 350 V N 2.374 122.299 119.914 0.018 0.000 2.378 350 V HA 0.469 4.606 4.120 0.029 0.000 0.288 350 V C 0.951 177.077 176.094 0.054 0.000 1.016 350 V CA 0.267 62.583 62.300 0.027 0.000 0.840 350 V CB 0.960 32.785 31.823 0.003 0.000 0.994 350 V HN 1.137 nan 8.190 nan 0.000 0.431 351 A N 3.307 126.166 122.820 0.064 0.000 2.044 351 A HA 0.533 4.870 4.320 0.029 0.000 0.213 351 A C 1.610 179.259 177.584 0.108 0.000 1.169 351 A CA 0.731 52.813 52.037 0.075 0.000 0.724 351 A CB -0.163 18.870 19.000 0.055 0.000 0.840 351 A HN 1.991 nan 8.150 nan 0.000 0.463 352 G N -0.442 108.428 108.800 0.117 0.000 2.370 352 G HA2 -0.153 3.824 3.960 0.029 0.000 0.268 352 G HA3 -0.153 3.824 3.960 0.029 0.000 0.268 352 G C 0.547 175.490 174.900 0.072 0.000 1.122 352 G CA 0.162 45.374 45.100 0.186 0.000 0.963 352 G HN 0.856 nan 8.290 nan 0.000 0.500 353 V N -0.689 119.252 119.914 0.044 0.000 2.720 353 V HA 0.030 4.168 4.120 0.029 0.000 0.256 353 V C 1.325 177.416 176.094 -0.005 0.000 1.082 353 V CA 1.719 64.024 62.300 0.008 0.000 1.101 353 V CB -0.911 30.922 31.823 0.017 0.000 0.693 353 V HN 0.979 nan 8.190 nan 0.000 0.479 354 N N -0.572 118.143 118.700 0.025 0.000 2.331 354 N HA 0.259 5.017 4.740 0.029 0.000 0.280 354 N C 0.290 175.849 175.510 0.081 0.000 1.155 354 N CA -0.540 52.525 53.050 0.024 0.000 0.822 354 N CB 2.407 40.909 38.487 0.025 0.000 1.619 354 N HN -0.015 nan 8.380 nan 0.000 0.476 355 I N -1.125 119.488 120.570 0.072 0.000 2.381 355 I HA -0.237 3.950 4.170 0.029 0.000 0.255 355 I C 2.151 178.356 176.117 0.147 0.000 1.140 355 I CA 1.325 62.720 61.300 0.159 0.000 1.404 355 I CB -0.815 37.243 38.000 0.097 0.000 1.075 355 I HN 0.694 nan 8.210 nan 0.000 0.433 356 E N 1.462 121.711 120.200 0.082 0.000 2.028 356 E HA -0.288 4.079 4.350 0.029 0.000 0.191 356 E C 2.152 178.780 176.600 0.045 0.000 0.988 356 E CA 1.751 58.179 56.400 0.047 0.000 0.799 356 E CB -0.043 29.673 29.700 0.027 0.000 0.755 356 E HN 0.661 nan 8.360 nan 0.000 0.447 357 E N 0.006 120.244 120.200 0.064 0.000 2.031 357 E HA -0.182 4.185 4.350 0.029 0.000 0.193 357 E C 2.087 178.735 176.600 0.080 0.000 0.994 357 E CA 1.555 57.989 56.400 0.057 0.000 0.800 357 E CB -0.722 29.018 29.700 0.066 0.000 0.752 357 E HN 0.307 nan 8.360 nan 0.000 0.447 358 F N 0.229 120.164 119.950 -0.026 0.000 2.293 358 F HA -0.053 4.491 4.527 0.029 0.000 0.300 358 F C 2.008 177.789 175.800 -0.031 0.000 1.086 358 F CA 1.400 59.385 58.000 -0.025 0.000 1.375 358 F CB -0.177 38.814 39.000 -0.016 0.000 1.045 358 F HN -0.018 nan 8.300 nan 0.000 0.516 359 S N 0.291 115.887 115.700 -0.174 0.000 2.362 359 S HA 0.021 4.508 4.470 0.029 0.000 0.221 359 S C 1.108 175.545 174.600 -0.272 0.000 1.032 359 S CA 0.223 58.243 58.200 -0.300 0.000 0.973 359 S CB -0.174 62.986 63.200 -0.067 0.000 0.849 359 S HN 0.131 nan 8.310 nan 0.000 0.465 360 R N 1.044 121.434 120.500 -0.183 0.000 2.583 360 R HA 0.410 4.767 4.340 0.029 0.000 0.268 360 R C 0.270 176.432 176.300 -0.230 0.000 1.101 360 R CA 0.088 56.077 56.100 -0.185 0.000 1.180 360 R CB 0.814 31.028 30.300 -0.143 0.000 1.128 360 R HN 0.158 nan 8.270 nan 0.000 0.568 361 S N -0.150 115.380 115.700 -0.283 0.000 2.817 361 S HA -0.009 4.478 4.470 0.029 0.000 0.262 361 S C 0.104 174.327 174.600 -0.629 0.000 1.051 361 S CA -0.343 57.653 58.200 -0.341 0.000 1.185 361 S CB 0.426 63.461 63.200 -0.275 0.000 1.152 361 S HN 0.636 nan 8.310 nan 0.000 0.653 362 D N 1.951 121.985 120.400 -0.610 0.000 2.328 362 D HA -0.031 4.626 4.640 0.029 0.000 0.226 362 D C 0.855 176.934 176.300 -0.369 0.000 1.066 362 D CA 0.033 53.564 54.000 -0.782 0.000 0.861 362 D CB -0.895 39.641 40.800 -0.440 0.000 0.912 362 D HN 0.667 nan 8.370 nan 0.000 0.521 363 N N 0.311 118.859 118.700 -0.253 0.000 2.333 363 N HA -0.089 4.668 4.740 0.029 0.000 0.178 363 N C 0.576 176.049 175.510 -0.062 0.000 1.018 363 N CA 0.048 53.029 53.050 -0.116 0.000 0.882 363 N CB 0.035 38.468 38.487 -0.089 0.000 0.984 363 N HN -0.005 nan 8.380 nan 0.000 0.434 364 K N 1.006 121.371 120.400 -0.058 0.000 2.136 364 K HA 0.198 4.535 4.320 0.029 0.000 0.237 364 K C 0.127 176.835 176.600 0.180 0.000 1.048 364 K CA -0.436 55.866 56.287 0.025 0.000 0.880 364 K CB 0.654 33.197 32.500 0.071 0.000 1.105 364 K HN 0.076 nan 8.250 nan 0.000 0.507 365 R N 1.622 122.127 120.500 0.009 0.000 2.490 365 R HA 0.175 4.532 4.340 0.029 0.000 0.278 365 R C -2.198 174.062 176.300 -0.067 0.000 1.069 365 R CA -1.754 54.346 56.100 0.000 0.000 1.080 365 R CB 0.191 30.387 30.300 -0.174 0.000 1.030 365 R HN 0.446 nan 8.270 nan 0.000 0.491 366 P HA -0.046 nan 4.420 nan 0.000 0.276 366 P C 0.038 177.141 177.300 -0.330 0.000 1.230 366 P CA -0.258 62.449 63.100 -0.654 0.000 0.776 366 P CB 0.906 32.422 31.700 -0.307 0.000 0.888 367 L N 2.939 123.920 121.223 -0.404 0.000 1.972 367 L HA 0.170 4.527 4.340 0.029 0.000 0.209 367 L C 0.416 177.172 176.870 -0.190 0.000 1.125 367 L CA 2.421 57.121 54.840 -0.232 0.000 0.784 367 L CB -1.383 40.511 42.059 -0.275 0.000 0.902 367 L HN 0.627 nan 8.230 nan 0.000 0.444 368 D N -1.820 118.459 120.400 -0.202 0.000 2.801 368 D HA -0.084 4.573 4.640 0.029 0.000 0.169 368 D C -1.824 174.413 176.300 -0.105 0.000 1.141 368 D CA 0.270 54.191 54.000 -0.132 0.000 0.836 368 D CB -0.623 40.123 40.800 -0.090 0.000 0.526 368 D HN 0.206 nan 8.370 nan 0.000 0.369 369 P HA -0.188 nan 4.420 nan 0.000 0.219 369 P C 1.711 179.084 177.300 0.123 0.000 1.145 369 P CA 0.441 63.525 63.100 -0.027 0.000 0.813 369 P CB 0.287 31.980 31.700 -0.013 0.000 0.771 370 L N -0.737 120.508 121.223 0.036 0.000 2.492 370 L HA 0.072 4.429 4.340 0.029 0.000 0.223 370 L C 0.789 177.670 176.870 0.019 0.000 1.132 370 L CA 0.869 55.727 54.840 0.029 0.000 0.850 370 L CB -1.189 40.873 42.059 0.006 0.000 0.966 370 L HN -0.003 nan 8.230 nan 0.000 0.454 371 D N -0.113 120.294 120.400 0.010 0.000 2.358 371 D HA -0.012 4.646 4.640 0.029 0.000 0.258 371 D C 1.198 177.500 176.300 0.003 0.000 1.223 371 D CA 0.202 54.193 54.000 -0.015 0.000 0.886 371 D CB 1.195 41.964 40.800 -0.051 0.000 1.120 371 D HN 0.111 nan 8.370 nan 0.000 0.482 372 S N 1.008 116.702 115.700 -0.009 0.000 2.524 372 S HA 0.033 4.520 4.470 0.029 0.000 0.215 372 S C 0.653 175.249 174.600 -0.006 0.000 0.986 372 S CA -0.458 57.744 58.200 0.004 0.000 0.911 372 S CB -0.164 63.047 63.200 0.017 0.000 0.805 372 S HN 0.358 nan 8.310 nan 0.000 0.501 373 S N 2.217 117.893 115.700 -0.040 0.000 2.533 373 S HA 0.496 4.984 4.470 0.029 0.000 0.282 373 S C 0.360 174.936 174.600 -0.040 0.000 1.304 373 S CA -0.654 57.514 58.200 -0.053 0.000 1.063 373 S CB -0.726 62.406 63.200 -0.113 0.000 0.881 373 S HN 0.629 nan 8.310 nan 0.000 0.493 374 I N 0.759 121.299 120.570 -0.050 0.000 7.634 374 I HA -0.186 4.002 4.170 0.029 0.000 0.126 374 I C -0.192 175.871 176.117 -0.091 0.000 1.842 374 I CA 0.246 61.490 61.300 -0.093 0.000 2.040 374 I CB -2.105 35.897 38.000 0.003 0.000 3.684 374 I HN 0.842 nan 8.210 nan 0.000 0.170 375 T N 5.763 120.171 114.554 -0.244 0.000 2.924 375 T HA 0.824 5.191 4.350 0.029 0.000 0.291 375 T C -0.587 173.718 174.700 -0.658 0.000 1.045 375 T CA -0.610 61.344 62.100 -0.243 0.000 1.015 375 T CB 1.890 70.683 68.868 -0.125 0.000 1.103 375 T HN 0.175 nan 8.240 nan 0.000 0.496 376 F N 1.459 121.078 119.950 -0.551 0.000 2.507 376 F HA 0.451 4.995 4.527 0.028 0.000 0.325 376 F C 0.412 175.739 175.800 -0.788 0.000 1.116 376 F CA -0.863 56.850 58.000 -0.479 0.000 0.930 376 F CB 1.553 40.446 39.000 -0.178 0.000 1.146 376 F HN 0.484 nan 8.300 nan 0.000 0.447 377 H N 2.560 121.551 119.070 -0.131 0.000 2.609 377 H HA 0.541 5.114 4.556 0.028 0.000 0.344 377 H C -1.197 173.998 175.328 -0.222 0.000 1.040 377 H CA -0.758 55.216 56.048 -0.124 0.000 1.216 377 H CB 2.367 32.081 29.762 -0.079 0.000 1.529 377 H HN 0.303 nan 8.280 nan 0.000 0.519 378 V N 3.834 123.643 119.914 -0.175 0.000 2.357 378 V HA 0.223 4.360 4.120 0.029 0.000 0.284 378 V C 0.244 176.240 176.094 -0.164 0.000 1.018 378 V CA -0.388 61.649 62.300 -0.437 0.000 0.841 378 V CB 0.701 32.231 31.823 -0.489 0.000 0.991 378 V HN 0.844 nan 8.190 nan 0.000 0.437 379 C N 2.651 121.859 119.300 -0.152 0.000 2.630 379 C HA 0.499 4.976 4.460 0.029 0.000 0.346 379 C C 1.469 176.389 174.990 -0.117 0.000 1.245 379 C CA -0.527 58.474 59.018 -0.028 0.000 1.804 379 C CB 1.419 29.175 27.740 0.027 0.000 2.279 379 C HN 0.966 nan 8.230 nan 0.000 0.498 380 H N 0.230 119.266 119.070 -0.056 0.000 2.512 380 H HA 0.175 4.750 4.556 0.032 0.000 0.279 380 H C 0.989 176.284 175.328 -0.056 0.000 0.999 380 H CA 1.390 57.402 56.048 -0.060 0.000 1.283 380 H CB 0.145 29.860 29.762 -0.079 0.000 1.421 380 H HN 0.761 nan 8.280 nan 0.000 0.554 381 S N -2.632 113.092 115.700 0.039 0.000 2.595 381 S HA 0.194 4.682 4.470 0.029 0.000 0.270 381 S C -2.486 172.079 174.600 -0.059 0.000 1.145 381 S CA -1.230 56.957 58.200 -0.022 0.000 0.825 381 S CB 1.574 64.726 63.200 -0.081 0.000 1.107 381 S HN -0.261 nan 8.310 nan 0.000 0.461 382 P HA -0.153 nan 4.420 nan 0.000 0.215 382 P C 1.688 178.850 177.300 -0.230 0.000 1.157 382 P CA 1.371 64.476 63.100 0.007 0.000 0.874 382 P CB 0.056 31.789 31.700 0.054 0.000 0.790 383 Q N -0.661 118.665 119.800 -0.790 0.000 1.956 383 Q HA -0.231 4.126 4.340 0.029 0.000 0.208 383 Q C 2.354 178.196 176.000 -0.264 0.000 0.998 383 Q CA 1.795 57.180 55.803 -0.697 0.000 0.855 383 Q CB -0.754 27.541 28.738 -0.737 0.000 0.928 383 Q HN -0.044 nan 8.270 nan 0.000 0.418 384 R N 1.064 121.426 120.500 -0.229 0.000 2.112 384 R HA -0.198 4.160 4.340 0.029 0.000 0.242 384 R C 1.994 178.230 176.300 -0.108 0.000 1.137 384 R CA 2.241 58.249 56.100 -0.153 0.000 0.944 384 R CB -0.657 29.575 30.300 -0.114 0.000 0.857 384 R HN 0.440 nan 8.270 nan 0.000 0.435 385 E N -0.812 119.357 120.200 -0.052 0.000 2.160 385 E HA -0.155 4.212 4.350 0.029 0.000 0.195 385 E C 1.477 178.091 176.600 0.023 0.000 0.991 385 E CA 1.572 57.976 56.400 0.008 0.000 0.810 385 E CB 0.141 29.906 29.700 0.107 0.000 0.742 385 E HN 0.246 nan 8.360 nan 0.000 0.466 386 V N 0.761 120.703 119.914 0.047 0.000 2.725 386 V HA -0.111 4.026 4.120 0.029 0.000 0.247 386 V C 1.949 178.084 176.094 0.069 0.000 1.058 386 V CA 1.483 63.842 62.300 0.098 0.000 1.080 386 V CB -0.331 31.599 31.823 0.179 0.000 0.713 386 V HN 0.214 nan 8.190 nan 0.000 0.465 387 E N 0.436 120.635 120.200 -0.002 0.000 2.077 387 E HA -0.164 4.204 4.350 0.029 0.000 0.193 387 E C 2.295 178.860 176.600 -0.057 0.000 0.989 387 E CA 1.439 57.824 56.400 -0.025 0.000 0.800 387 E CB -0.195 29.471 29.700 -0.056 0.000 0.746 387 E HN 0.438 nan 8.360 nan 0.000 0.452 388 V N 1.566 121.399 119.914 -0.135 0.000 2.295 388 V HA -0.243 3.894 4.120 0.029 0.000 0.246 388 V C 2.318 178.302 176.094 -0.182 0.000 1.049 388 V CA 1.461 63.617 62.300 -0.240 0.000 1.024 388 V CB -0.428 31.091 31.823 -0.507 0.000 0.648 388 V HN 0.229 nan 8.190 nan 0.000 0.447 389 L N -0.060 121.073 121.223 -0.150 0.000 1.989 389 L HA -0.235 4.122 4.340 0.029 0.000 0.211 389 L C 2.508 179.226 176.870 -0.254 0.000 1.071 389 L CA 2.317 56.985 54.840 -0.287 0.000 0.749 389 L CB -1.247 40.663 42.059 -0.248 0.000 0.890 389 L HN 0.456 nan 8.230 nan 0.000 0.431 390 H N -0.688 118.248 119.070 -0.224 0.000 2.426 390 H HA -0.197 4.377 4.556 0.030 0.000 0.298 390 H C 1.713 176.850 175.328 -0.318 0.000 1.107 390 H CA 2.053 57.897 56.048 -0.340 0.000 1.298 390 H CB 0.035 29.540 29.762 -0.429 0.000 1.377 390 H HN 0.473 nan 8.280 nan 0.000 0.519 391 D N -0.029 120.321 120.400 -0.084 0.000 2.084 391 D HA -0.106 4.551 4.640 0.029 0.000 0.196 391 D C 2.439 178.610 176.300 -0.215 0.000 0.985 391 D CA 0.822 54.767 54.000 -0.090 0.000 0.826 391 D CB -0.131 40.670 40.800 0.002 0.000 0.978 391 D HN 0.160 nan 8.370 nan 0.000 0.456 392 R N 0.230 120.615 120.500 -0.193 0.000 2.189 392 R HA 0.087 4.445 4.340 0.029 0.000 0.223 392 R C 2.197 178.333 176.300 -0.274 0.000 1.092 392 R CA 0.536 56.530 56.100 -0.176 0.000 0.989 392 R CB -0.488 29.755 30.300 -0.095 0.000 0.876 392 R HN 0.212 nan 8.270 nan 0.000 0.457 393 L N -0.683 120.314 121.223 -0.376 0.000 2.072 393 L HA -0.127 4.230 4.340 0.029 0.000 0.205 393 L C 1.810 178.448 176.870 -0.387 0.000 1.079 393 L CA 0.544 55.158 54.840 -0.376 0.000 0.752 393 L CB -0.446 41.364 42.059 -0.416 0.000 0.906 393 L HN 0.196 nan 8.230 nan 0.000 0.436 394 L N 0.063 120.983 121.223 -0.505 0.000 1.970 394 L HA -0.227 4.130 4.340 0.029 0.000 0.212 394 L C 2.724 179.262 176.870 -0.553 0.000 1.071 394 L CA 2.166 56.648 54.840 -0.597 0.000 0.751 394 L CB -1.103 40.462 42.059 -0.823 0.000 0.889 394 L HN 0.215 nan 8.230 nan 0.000 0.432 395 A N 0.137 122.626 122.820 -0.552 0.000 1.863 395 A HA -0.328 4.009 4.320 0.029 0.000 0.218 395 A C 2.199 179.699 177.584 -0.140 0.000 1.233 395 A CA 3.001 54.889 52.037 -0.249 0.000 0.655 395 A CB -0.975 17.990 19.000 -0.057 0.000 0.839 395 A HN 0.625 nan 8.150 nan 0.000 0.454 396 M N -1.246 118.277 119.600 -0.127 0.000 2.623 396 M HA 0.032 4.529 4.480 0.029 0.000 0.258 396 M C 1.558 177.798 176.300 -0.100 0.000 1.067 396 M CA 1.513 56.760 55.300 -0.088 0.000 1.068 396 M CB -0.560 31.993 32.600 -0.077 0.000 1.409 396 M HN 0.348 nan 8.290 nan 0.000 0.504 397 L N 0.326 121.462 121.223 -0.145 0.000 2.168 397 L HA -0.043 4.315 4.340 0.029 0.000 0.203 397 L C 2.646 179.462 176.870 -0.090 0.000 1.078 397 L CA 1.088 55.851 54.840 -0.128 0.000 0.780 397 L CB -0.257 41.695 42.059 -0.179 0.000 0.939 397 L HN 0.324 nan 8.230 nan 0.000 0.451 398 E N 0.861 121.004 120.200 -0.094 0.000 2.017 398 E HA -0.284 4.084 4.350 0.029 0.000 0.193 398 E C 1.742 178.335 176.600 -0.012 0.000 0.997 398 E CA 1.801 58.182 56.400 -0.031 0.000 0.804 398 E CB -0.127 29.584 29.700 0.019 0.000 0.757 398 E HN 0.329 nan 8.360 nan 0.000 0.448 399 E N 0.856 121.049 120.200 -0.011 0.000 2.059 399 E HA -0.253 4.114 4.350 0.029 0.000 0.237 399 E C -0.004 176.592 176.600 -0.007 0.000 1.023 399 E CA 1.907 58.305 56.400 -0.003 0.000 0.918 399 E CB -0.463 29.231 29.700 -0.010 0.000 0.824 399 E HN 0.545 nan 8.360 nan 0.000 0.534 400 D N 0.225 120.616 120.400 -0.016 0.000 2.193 400 D HA 0.224 4.881 4.640 0.029 0.000 0.244 400 D C -2.359 173.930 176.300 -0.019 0.000 1.064 400 D CA -1.740 52.252 54.000 -0.013 0.000 0.845 400 D CB 1.828 42.621 40.800 -0.012 0.000 1.148 400 D HN -0.046 nan 8.370 nan 0.000 0.464 401 P HA 0.085 nan 4.420 nan 0.000 0.333 401 P C 0.737 178.027 177.300 -0.018 0.000 1.343 401 P CA 1.343 64.432 63.100 -0.018 0.000 0.761 401 P CB 0.164 31.857 31.700 -0.012 0.000 1.701 402 T N -4.643 109.901 114.554 -0.018 0.000 10.732 402 T HA -0.262 4.106 4.350 0.029 0.000 0.396 402 T C 0.290 174.978 174.700 -0.019 0.000 1.605 402 T CA 1.002 63.092 62.100 -0.017 0.000 2.571 402 T CB -2.053 66.807 68.868 -0.012 0.000 2.779 402 T HN 0.351 nan 8.240 nan 0.000 1.025 403 L N 3.991 125.200 121.223 -0.023 0.000 2.462 403 L HA 0.401 4.758 4.340 0.029 0.000 0.283 403 L C 1.025 177.874 176.870 -0.035 0.000 1.166 403 L CA 0.471 55.295 54.840 -0.026 0.000 0.964 403 L CB -0.089 41.950 42.059 -0.034 0.000 1.294 403 L HN 0.752 nan 8.230 nan 0.000 0.449 404 T N 1.895 116.433 114.554 -0.028 0.000 2.788 404 T HA 0.296 4.663 4.350 0.029 0.000 0.287 404 T C -1.451 173.229 174.700 -0.034 0.000 1.007 404 T CA -1.393 60.687 62.100 -0.033 0.000 1.005 404 T CB 0.903 69.755 68.868 -0.027 0.000 1.012 404 T HN 0.424 nan 8.240 nan 0.000 0.530 405 P HA -0.127 nan 4.420 nan 0.000 0.220 405 P C 1.180 178.472 177.300 -0.014 0.000 1.148 405 P CA 0.948 64.021 63.100 -0.046 0.000 0.803 405 P CB -0.034 31.630 31.700 -0.061 0.000 0.782 406 R N -0.148 120.349 120.500 -0.004 0.000 2.241 406 R HA -0.042 4.315 4.340 0.029 0.000 0.224 406 R C 1.466 177.830 176.300 0.108 0.000 1.101 406 R CA 1.039 57.152 56.100 0.023 0.000 0.995 406 R CB -1.142 29.152 30.300 -0.009 0.000 0.870 406 R HN 0.115 nan 8.270 nan 0.000 0.463 407 D N 0.884 121.336 120.400 0.086 0.000 2.349 407 D HA 0.126 4.784 4.640 0.029 0.000 0.224 407 D C 0.381 176.810 176.300 0.214 0.000 1.029 407 D CA 0.538 54.628 54.000 0.149 0.000 0.879 407 D CB 0.228 41.062 40.800 0.057 0.000 0.906 407 D HN 0.273 nan 8.370 nan 0.000 0.528 408 I N 0.726 121.358 120.570 0.103 0.000 2.607 408 I HA 0.431 4.618 4.170 0.029 0.000 0.305 408 I C -0.157 175.840 176.117 -0.199 0.000 0.995 408 I CA -0.910 60.369 61.300 -0.035 0.000 1.148 408 I CB 2.751 40.699 38.000 -0.086 0.000 1.323 408 I HN -0.281 nan 8.210 nan 0.000 0.461 409 I N 4.766 125.122 120.570 -0.357 0.000 2.649 409 I HA 0.392 4.579 4.170 0.029 0.000 0.289 409 I C -1.603 174.315 176.117 -0.331 0.000 1.222 409 I CA -0.525 60.467 61.300 -0.513 0.000 1.046 409 I CB 1.811 39.112 38.000 -1.165 0.000 1.272 409 I HN 0.228 nan 8.210 nan 0.000 0.425 410 V N 7.705 127.472 119.914 -0.245 0.000 2.384 410 V HA 0.525 4.662 4.120 0.029 0.000 0.287 410 V C -0.021 175.965 176.094 -0.180 0.000 1.020 410 V CA -0.418 61.762 62.300 -0.200 0.000 0.850 410 V CB 1.438 33.150 31.823 -0.184 0.000 0.987 410 V HN 0.665 nan 8.190 nan 0.000 0.436 411 M N 5.398 124.894 119.600 -0.174 0.000 2.456 411 M HA 0.808 5.305 4.480 0.029 0.000 0.324 411 M C -0.753 175.453 176.300 -0.158 0.000 1.124 411 M CA -0.865 54.348 55.300 -0.145 0.000 0.959 411 M CB 2.314 34.833 32.600 -0.135 0.000 1.692 411 M HN 0.565 nan 8.290 nan 0.000 0.444 412 V N -0.683 119.151 119.914 -0.133 0.000 3.040 412 V HA 0.793 4.930 4.120 0.029 0.000 0.312 412 V C 0.529 176.641 176.094 0.031 0.000 1.115 412 V CA -0.621 61.590 62.300 -0.148 0.000 0.998 412 V CB 1.055 32.634 31.823 -0.406 0.000 1.042 412 V HN 1.003 nan 8.190 nan 0.000 0.433 413 A N 1.074 123.975 122.820 0.135 0.000 1.849 413 A HA -0.123 4.215 4.320 0.029 0.000 0.217 413 A C 1.097 178.770 177.584 0.147 0.000 1.202 413 A CA 2.475 54.639 52.037 0.213 0.000 0.629 413 A CB -0.610 18.531 19.000 0.235 0.000 0.834 413 A HN 1.124 nan 8.150 nan 0.000 0.447 414 D N -1.476 119.035 120.400 0.186 0.000 2.464 414 D HA 0.362 5.020 4.640 0.029 0.000 0.243 414 D C 0.333 176.750 176.300 0.194 0.000 1.104 414 D CA -0.606 53.484 54.000 0.151 0.000 0.883 414 D CB 0.550 41.423 40.800 0.123 0.000 1.050 414 D HN 0.057 nan 8.370 nan 0.000 0.524 415 I N 3.006 123.647 120.570 0.118 0.000 2.700 415 I HA -0.131 4.056 4.170 0.029 0.000 0.261 415 I C 1.220 177.393 176.117 0.093 0.000 1.219 415 I CA 1.266 62.630 61.300 0.106 0.000 1.463 415 I CB 0.040 38.068 38.000 0.047 0.000 1.092 415 I HN 0.401 nan 8.210 nan 0.000 0.452 416 D N -0.254 120.184 120.400 0.063 0.000 2.103 416 D HA -0.087 4.570 4.640 0.029 0.000 0.199 416 D C 2.052 178.340 176.300 -0.020 0.000 0.978 416 D CA 1.678 55.688 54.000 0.018 0.000 0.829 416 D CB -0.073 40.731 40.800 0.007 0.000 0.981 416 D HN 0.481 nan 8.370 nan 0.000 0.464 417 S N -0.836 114.854 115.700 -0.017 0.000 2.701 417 S HA -0.018 4.469 4.470 0.029 0.000 0.220 417 S C 1.192 175.628 174.600 -0.274 0.000 0.954 417 S CA 0.002 58.118 58.200 -0.140 0.000 0.936 417 S CB -0.208 62.918 63.200 -0.123 0.000 0.777 417 S HN 0.225 nan 8.310 nan 0.000 0.518 418 Y N 0.380 120.635 120.300 -0.074 0.000 2.467 418 Y HA 0.332 4.899 4.550 0.029 0.000 0.259 418 Y C 2.617 178.471 175.900 -0.076 0.000 1.084 418 Y CA 0.033 58.119 58.100 -0.025 0.000 1.275 418 Y CB -0.140 38.342 38.460 0.036 0.000 1.208 418 Y HN 0.358 nan 8.280 nan 0.000 0.511 419 S N 0.898 116.616 115.700 0.029 0.000 2.372 419 S HA -0.178 4.309 4.470 0.029 0.000 0.227 419 S C -0.678 173.886 174.600 -0.061 0.000 1.044 419 S CA 2.195 60.389 58.200 -0.010 0.000 1.050 419 S CB -1.032 62.157 63.200 -0.018 0.000 0.901 419 S HN 0.244 nan 8.310 nan 0.000 0.447 420 P HA -0.108 nan 4.420 nan 0.000 0.213 420 P C 1.137 178.419 177.300 -0.029 0.000 1.170 420 P CA 1.472 64.453 63.100 -0.198 0.000 0.902 420 P CB -0.279 31.143 31.700 -0.463 0.000 0.789 421 F N -0.755 119.198 119.950 0.005 0.000 2.069 421 F HA -0.214 4.331 4.527 0.030 0.000 0.298 421 F C 2.390 178.201 175.800 0.018 0.000 1.113 421 F CA 0.373 58.387 58.000 0.024 0.000 1.214 421 F CB -0.919 38.104 39.000 0.039 0.000 0.978 421 F HN -0.179 nan 8.300 nan 0.000 0.474 422 I N 0.604 121.276 120.570 0.170 0.000 2.113 422 I HA -0.369 3.818 4.170 0.029 0.000 0.242 422 I C 2.334 178.319 176.117 -0.220 0.000 1.064 422 I CA 1.838 63.082 61.300 -0.093 0.000 1.320 422 I CB -1.610 36.265 38.000 -0.210 0.000 1.028 422 I HN 0.342 nan 8.210 nan 0.000 0.406 423 Q N 0.440 120.172 119.800 -0.113 0.000 2.061 423 Q HA -0.179 4.178 4.340 0.029 0.000 0.204 423 Q C 2.450 178.488 176.000 0.063 0.000 0.984 423 Q CA 2.021 57.804 55.803 -0.033 0.000 0.846 423 Q CB -0.290 28.504 28.738 0.093 0.000 0.902 423 Q HN 0.601 nan 8.270 nan 0.000 0.421 424 A N 0.824 123.711 122.820 0.112 0.000 1.848 424 A HA -0.239 4.098 4.320 0.029 0.000 0.217 424 A C 2.343 180.003 177.584 0.126 0.000 1.220 424 A CA 2.420 54.541 52.037 0.141 0.000 0.645 424 A CB -1.475 17.650 19.000 0.207 0.000 0.842 424 A HN 0.403 nan 8.150 nan 0.000 0.451 425 V N -4.185 115.814 119.914 0.142 0.000 2.720 425 V HA -0.102 4.036 4.120 0.029 0.000 0.256 425 V C 1.935 178.040 176.094 0.018 0.000 1.082 425 V CA 1.946 64.294 62.300 0.081 0.000 1.101 425 V CB -1.051 30.827 31.823 0.092 0.000 0.693 425 V HN 0.325 nan 8.190 nan 0.000 0.479 426 F N 2.380 122.250 119.950 -0.134 0.000 2.804 426 F HA 0.489 5.033 4.527 0.028 0.000 0.303 426 F C 1.700 177.573 175.800 0.122 0.000 1.154 426 F CA 0.045 58.002 58.000 -0.071 0.000 1.401 426 F CB -0.473 38.273 39.000 -0.423 0.000 1.106 426 F HN 0.323 nan 8.300 nan 0.000 0.568 427 G N 0.343 109.238 108.800 0.159 0.000 3.288 427 G HA2 0.432 4.410 3.960 0.029 0.000 0.337 427 G HA3 0.432 4.410 3.960 0.029 0.000 0.337 427 G C -0.503 174.411 174.900 0.024 0.000 1.142 427 G CA -0.140 45.029 45.100 0.114 0.000 1.304 427 G HN 0.185 nan 8.290 nan 0.000 0.475 428 S N 0.219 115.926 115.700 0.011 0.000 2.618 428 S HA 0.746 5.233 4.470 0.029 0.000 0.277 428 S C 0.265 174.860 174.600 -0.010 0.000 1.138 428 S CA -0.151 58.025 58.200 -0.042 0.000 0.844 428 S CB 1.537 64.639 63.200 -0.163 0.000 1.127 428 S HN 1.879 nan 8.310 nan 0.000 0.474 429 A N 3.078 125.886 122.820 -0.021 0.000 1.910 429 A HA 0.047 4.385 4.320 0.029 0.000 0.339 429 A C -0.464 177.129 177.584 0.015 0.000 0.767 429 A CA 0.472 52.507 52.037 -0.003 0.000 1.520 429 A CB -1.122 17.893 19.000 0.024 0.000 0.618 429 A HN 0.783 nan 8.150 nan 0.000 0.216 430 P HA -0.260 nan 4.420 nan 0.000 0.209 430 P C 1.099 178.415 177.300 0.027 0.000 1.167 430 P CA 2.212 65.269 63.100 -0.072 0.000 0.941 430 P CB -0.088 31.569 31.700 -0.071 0.000 0.787 431 A N 0.009 122.849 122.820 0.034 0.000 2.262 431 A HA 0.066 4.403 4.320 0.029 0.000 0.275 431 A C 1.220 178.860 177.584 0.093 0.000 1.402 431 A CA 0.970 53.044 52.037 0.062 0.000 0.817 431 A CB -1.231 17.792 19.000 0.038 0.000 1.271 431 A HN 0.465 nan 8.150 nan 0.000 0.520 432 D N -1.254 119.194 120.400 0.080 0.000 3.812 432 D HA -0.420 4.237 4.640 0.029 0.000 0.480 432 D C 1.253 177.619 176.300 0.109 0.000 0.535 432 D CA 2.394 56.447 54.000 0.088 0.000 1.173 432 D CB -0.782 40.070 40.800 0.086 0.000 0.308 432 D HN 0.592 nan 8.370 nan 0.000 0.237 433 R N -1.223 119.354 120.500 0.129 0.000 2.198 433 R HA -0.207 4.150 4.340 0.029 0.000 0.258 433 R C 0.605 177.018 176.300 0.190 0.000 1.173 433 R CA 1.482 57.673 56.100 0.151 0.000 0.991 433 R CB -0.626 29.762 30.300 0.147 0.000 0.879 433 R HN 0.447 nan 8.270 nan 0.000 0.460 434 Y N 0.894 121.227 120.300 0.054 0.000 2.497 434 Y HA 0.216 4.783 4.550 0.028 0.000 0.334 434 Y C -0.689 175.228 175.900 0.029 0.000 1.199 434 Y CA -0.690 57.449 58.100 0.065 0.000 1.425 434 Y CB 0.526 39.023 38.460 0.062 0.000 1.291 434 Y HN -0.023 nan 8.280 nan 0.000 0.562 435 L N 5.732 126.417 121.223 -0.897 0.000 2.516 435 L HA 0.629 4.986 4.340 0.029 0.000 0.267 435 L C -3.066 173.321 176.870 -0.805 0.000 0.957 435 L CA -2.485 51.931 54.840 -0.707 0.000 0.860 435 L CB 1.196 42.983 42.059 -0.454 0.000 1.265 435 L HN 0.338 nan 8.230 nan 0.000 0.403 436 P HA 0.244 nan 4.420 nan 0.000 0.269 436 P C -1.462 175.936 177.300 0.162 0.000 1.211 436 P CA 0.448 63.485 63.100 -0.104 0.000 0.781 436 P CB 0.138 31.823 31.700 -0.025 0.000 0.877 437 Y N -1.519 118.832 120.300 0.085 0.000 2.609 437 Y HA 0.789 5.357 4.550 0.030 0.000 0.336 437 Y C -1.829 174.064 175.900 -0.011 0.000 1.129 437 Y CA -1.699 56.410 58.100 0.014 0.000 1.040 437 Y CB 0.833 39.228 38.460 -0.108 0.000 1.310 437 Y HN 0.494 nan 8.280 nan 0.000 0.460 438 A N 3.530 126.317 122.820 -0.055 0.000 2.414 438 A HA 0.700 5.037 4.320 0.029 0.000 0.286 438 A C -1.451 176.157 177.584 0.041 0.000 1.073 438 A CA -0.670 51.311 52.037 -0.093 0.000 0.727 438 A CB 0.499 19.462 19.000 -0.062 0.000 1.215 438 A HN 0.748 nan 8.150 nan 0.000 0.430 439 I N 1.906 122.516 120.570 0.067 0.000 2.428 439 I HA 0.456 4.643 4.170 0.029 0.000 0.289 439 I C 0.303 176.461 176.117 0.068 0.000 1.019 439 I CA 0.047 61.393 61.300 0.077 0.000 1.351 439 I CB 1.678 39.731 38.000 0.087 0.000 1.412 439 I HN 0.572 nan 8.210 nan 0.000 0.513 440 S N 3.332 119.077 115.700 0.075 0.000 2.595 440 S HA 0.419 4.906 4.470 0.029 0.000 0.281 440 S C -0.479 174.137 174.600 0.027 0.000 1.117 440 S CA -0.515 57.727 58.200 0.071 0.000 0.873 440 S CB 2.018 65.302 63.200 0.140 0.000 1.108 440 S HN 0.780 nan 8.310 nan 0.000 0.477 441 D N -0.048 120.356 120.400 0.007 0.000 2.954 441 D HA -0.109 4.548 4.640 0.029 0.000 0.200 441 D C -0.088 176.219 176.300 0.011 0.000 1.022 441 D CA 0.748 54.742 54.000 -0.010 0.000 1.003 441 D CB -0.535 40.248 40.800 -0.029 0.000 1.073 441 D HN 0.427 nan 8.370 nan 0.000 0.438 442 R N 0.746 121.262 120.500 0.027 0.000 2.707 442 R HA 0.418 4.776 4.340 0.029 0.000 0.270 442 R C 0.973 177.297 176.300 0.039 0.000 1.083 442 R CA -0.172 55.948 56.100 0.033 0.000 1.182 442 R CB 0.892 31.215 30.300 0.038 0.000 1.084 442 R HN 0.083 nan 8.270 nan 0.000 0.528 443 R N 0.313 120.837 120.500 0.040 0.000 2.459 443 R HA 0.234 4.591 4.340 0.029 0.000 0.281 443 R C 1.077 177.422 176.300 0.075 0.000 1.050 443 R CA -0.127 55.998 56.100 0.042 0.000 1.055 443 R CB 0.938 31.256 30.300 0.029 0.000 1.045 443 R HN 0.710 nan 8.270 nan 0.000 0.495 444 A N 2.827 125.684 122.820 0.061 0.000 1.865 444 A HA -0.208 4.129 4.320 0.029 0.000 0.217 444 A C 2.113 179.774 177.584 0.129 0.000 1.191 444 A CA 1.277 53.353 52.037 0.065 0.000 0.623 444 A CB -0.368 18.613 19.000 -0.033 0.000 0.826 444 A HN 0.697 nan 8.150 nan 0.000 0.444 445 R N -0.631 119.912 120.500 0.073 0.000 2.103 445 R HA -0.143 4.214 4.340 0.029 0.000 0.234 445 R C 1.810 178.156 176.300 0.075 0.000 1.132 445 R CA 1.714 57.856 56.100 0.069 0.000 0.925 445 R CB -0.582 29.743 30.300 0.041 0.000 0.842 445 R HN 0.576 nan 8.270 nan 0.000 0.430 446 Q N 0.307 120.137 119.800 0.051 0.000 2.594 446 Q HA -0.048 4.309 4.340 0.029 0.000 0.219 446 Q C 0.894 176.903 176.000 0.016 0.000 0.980 446 Q CA 0.824 56.640 55.803 0.023 0.000 0.962 446 Q CB 0.048 28.790 28.738 0.007 0.000 0.987 446 Q HN 0.350 nan 8.270 nan 0.000 0.553 447 S N -1.953 113.783 115.700 0.061 0.000 3.082 447 S HA 0.239 4.726 4.470 0.029 0.000 0.253 447 S C -0.566 173.845 174.600 -0.315 0.000 0.961 447 S CA -0.699 57.467 58.200 -0.056 0.000 1.129 447 S CB 0.054 63.241 63.200 -0.022 0.000 1.083 447 S HN 0.289 nan 8.310 nan 0.000 0.605 448 H N 0.392 119.448 119.070 -0.023 0.000 3.083 448 H HA 0.429 5.003 4.556 0.029 0.000 0.339 448 H C -2.479 172.823 175.328 -0.044 0.000 1.020 448 H CA -0.870 55.157 56.048 -0.035 0.000 1.360 448 H CB 1.673 31.414 29.762 -0.035 0.000 1.811 448 H HN -0.022 nan 8.280 nan 0.000 0.493 449 P HA -0.268 nan 4.420 nan 0.000 0.202 449 P C 1.697 178.978 177.300 -0.032 0.000 1.121 449 P CA 1.309 64.393 63.100 -0.027 0.000 0.939 449 P CB 0.070 31.735 31.700 -0.057 0.000 0.761 450 V N -0.850 118.997 119.914 -0.111 0.000 2.311 450 V HA -0.323 3.815 4.120 0.029 0.000 0.259 450 V C 2.164 178.231 176.094 -0.046 0.000 1.086 450 V CA 2.048 64.215 62.300 -0.223 0.000 1.078 450 V CB -1.289 30.285 31.823 -0.415 0.000 0.668 450 V HN -0.042 nan 8.190 nan 0.000 0.452 451 L N 0.179 121.412 121.223 0.016 0.000 1.934 451 L HA -0.222 4.135 4.340 0.029 0.000 0.227 451 L C 2.689 179.620 176.870 0.102 0.000 1.084 451 L CA 2.736 57.623 54.840 0.078 0.000 0.790 451 L CB -1.278 40.825 42.059 0.073 0.000 0.896 451 L HN 0.375 nan 8.230 nan 0.000 0.437 452 E N -0.713 119.522 120.200 0.059 0.000 2.219 452 E HA -0.233 4.134 4.350 0.029 0.000 0.198 452 E C 2.100 178.719 176.600 0.031 0.000 0.998 452 E CA 1.182 57.601 56.400 0.032 0.000 0.818 452 E CB -0.234 29.473 29.700 0.011 0.000 0.741 452 E HN 0.532 nan 8.360 nan 0.000 0.477 453 A N 0.686 123.545 122.820 0.064 0.000 1.858 453 A HA -0.189 4.148 4.320 0.029 0.000 0.216 453 A C 2.068 179.754 177.584 0.170 0.000 1.190 453 A CA 1.348 53.448 52.037 0.106 0.000 0.617 453 A CB -0.864 18.218 19.000 0.137 0.000 0.827 453 A HN 0.319 nan 8.150 nan 0.000 0.443 454 F N 0.857 120.865 119.950 0.096 0.000 2.102 454 F HA -0.151 4.393 4.527 0.029 0.000 0.298 454 F C 1.945 177.711 175.800 -0.056 0.000 1.105 454 F CA 1.477 59.514 58.000 0.062 0.000 1.239 454 F CB -0.462 38.598 39.000 0.101 0.000 0.991 454 F HN 0.182 nan 8.300 nan 0.000 0.474 455 I N -0.718 119.756 120.570 -0.160 0.000 2.399 455 I HA -0.349 3.838 4.170 0.029 0.000 0.254 455 I C 2.595 178.550 176.117 -0.271 0.000 1.146 455 I CA 1.414 62.552 61.300 -0.270 0.000 1.412 455 I CB -0.678 37.270 38.000 -0.087 0.000 1.076 455 I HN 0.175 nan 8.210 nan 0.000 0.432 456 S N 0.608 116.188 115.700 -0.201 0.000 2.357 456 S HA -0.032 4.455 4.470 0.029 0.000 0.221 456 S C 1.945 176.373 174.600 -0.286 0.000 1.031 456 S CA 0.948 59.028 58.200 -0.200 0.000 0.982 456 S CB -0.119 62.996 63.200 -0.141 0.000 0.853 456 S HN 0.310 nan 8.310 nan 0.000 0.458 457 L N 1.167 122.177 121.223 -0.356 0.000 2.191 457 L HA -0.038 4.319 4.340 0.029 0.000 0.212 457 L C 1.536 178.156 176.870 -0.416 0.000 1.103 457 L CA 0.434 54.994 54.840 -0.467 0.000 0.769 457 L CB -0.246 41.419 42.059 -0.656 0.000 0.908 457 L HN 0.285 nan 8.230 nan 0.000 0.438 458 L N -0.973 119.961 121.223 -0.483 0.000 2.675 458 L HA -0.029 4.329 4.340 0.029 0.000 0.238 458 L C 1.536 178.281 176.870 -0.207 0.000 1.155 458 L CA 1.201 55.813 54.840 -0.381 0.000 0.881 458 L CB -0.790 40.968 42.059 -0.502 0.000 1.008 458 L HN 0.124 nan 8.230 nan 0.000 0.443 459 S N -1.807 113.772 115.700 -0.202 0.000 2.701 459 S HA 0.211 4.699 4.470 0.029 0.000 0.242 459 S C 1.708 176.229 174.600 -0.131 0.000 1.025 459 S CA -0.377 57.737 58.200 -0.144 0.000 1.016 459 S CB 0.508 63.613 63.200 -0.159 0.000 0.977 459 S HN 0.231 nan 8.310 nan 0.000 0.546 460 L N 2.443 123.592 121.223 -0.124 0.000 1.997 460 L HA -0.096 4.261 4.340 0.029 0.000 0.216 460 L C -0.677 176.237 176.870 0.074 0.000 1.074 460 L CA 1.509 56.305 54.840 -0.073 0.000 0.763 460 L CB -1.712 40.389 42.059 0.070 0.000 0.890 460 L HN 0.204 nan 8.230 nan 0.000 0.434 461 P HA -0.139 nan 4.420 nan 0.000 0.240 461 P C 0.116 177.472 177.300 0.093 0.000 1.186 461 P CA 1.396 64.576 63.100 0.133 0.000 0.755 461 P CB 0.043 31.824 31.700 0.135 0.000 0.870 462 D N -1.829 118.597 120.400 0.043 0.000 2.480 462 D HA 0.019 4.677 4.640 0.029 0.000 0.243 462 D C 0.622 176.914 176.300 -0.012 0.000 1.120 462 D CA 0.158 54.167 54.000 0.014 0.000 0.835 462 D CB 0.388 41.177 40.800 -0.018 0.000 1.204 462 D HN 0.063 nan 8.370 nan 0.000 0.513 463 S N 0.433 116.095 115.700 -0.063 0.000 2.572 463 S HA 0.122 4.609 4.470 0.029 0.000 0.279 463 S C 1.161 175.770 174.600 0.015 0.000 1.341 463 S CA -0.064 58.038 58.200 -0.163 0.000 1.043 463 S CB 1.332 64.212 63.200 -0.534 0.000 0.887 463 S HN 0.017 nan 8.310 nan 0.000 0.516 464 R N 1.828 122.306 120.500 -0.037 0.000 2.280 464 R HA 0.263 4.621 4.340 0.029 0.000 0.195 464 R C -0.188 176.252 176.300 0.233 0.000 0.935 464 R CA 0.210 56.317 56.100 0.012 0.000 1.033 464 R CB -0.122 30.047 30.300 -0.218 0.000 0.964 464 R HN 0.769 nan 8.270 nan 0.000 0.489 465 F N -1.121 118.823 119.950 -0.011 0.000 3.043 465 F HA -0.235 4.309 4.527 0.029 0.000 0.290 465 F C -0.070 175.869 175.800 0.232 0.000 0.844 465 F CA -0.089 57.965 58.000 0.089 0.000 1.184 465 F CB -2.044 37.029 39.000 0.121 0.000 1.246 465 F HN -0.239 nan 8.300 nan 0.000 0.536 466 V N 0.953 120.970 119.914 0.172 0.000 2.843 466 V HA -0.157 3.980 4.120 0.029 0.000 0.305 466 V C 1.591 177.857 176.094 0.286 0.000 1.120 466 V CA 0.927 63.314 62.300 0.145 0.000 1.254 466 V CB 0.886 32.716 31.823 0.012 0.000 0.901 466 V HN 0.581 nan 8.190 nan 0.000 0.503 467 S N 3.594 119.436 115.700 0.236 0.000 2.427 467 S HA -0.280 4.207 4.470 0.029 0.000 0.231 467 S C 1.632 176.381 174.600 0.248 0.000 1.045 467 S CA 1.554 59.888 58.200 0.223 0.000 1.154 467 S CB -0.533 62.672 63.200 0.010 0.000 1.093 467 S HN 0.802 nan 8.310 nan 0.000 0.422 468 E N 1.681 121.957 120.200 0.127 0.000 2.187 468 E HA -0.194 4.174 4.350 0.029 0.000 0.199 468 E C 1.786 178.443 176.600 0.096 0.000 1.004 468 E CA 1.337 57.795 56.400 0.096 0.000 0.813 468 E CB -0.654 29.075 29.700 0.049 0.000 0.736 468 E HN 0.586 nan 8.360 nan 0.000 0.468 469 D N -0.301 120.155 120.400 0.094 0.000 2.084 469 D HA -0.120 4.537 4.640 0.029 0.000 0.194 469 D C 2.176 178.496 176.300 0.033 0.000 0.990 469 D CA 1.091 55.110 54.000 0.033 0.000 0.826 469 D CB -0.322 40.465 40.800 -0.021 0.000 0.971 469 D HN 0.080 nan 8.370 nan 0.000 0.453 470 V N 1.614 121.595 119.914 0.112 0.000 2.261 470 V HA -0.226 3.911 4.120 0.029 0.000 0.246 470 V C 2.759 178.895 176.094 0.070 0.000 1.047 470 V CA 1.215 63.536 62.300 0.035 0.000 1.015 470 V CB -0.699 31.105 31.823 -0.031 0.000 0.642 470 V HN 0.163 nan 8.190 nan 0.000 0.446 471 L N 0.336 121.676 121.223 0.194 0.000 2.187 471 L HA -0.200 4.157 4.340 0.029 0.000 0.213 471 L C 2.684 179.597 176.870 0.072 0.000 1.100 471 L CA 1.401 56.331 54.840 0.149 0.000 0.765 471 L CB -0.806 41.355 42.059 0.170 0.000 0.904 471 L HN 0.383 nan 8.230 nan 0.000 0.437 472 A N -0.183 122.669 122.820 0.053 0.000 1.933 472 A HA -0.167 4.171 4.320 0.029 0.000 0.218 472 A C 2.112 179.705 177.584 0.015 0.000 1.175 472 A CA 1.313 53.365 52.037 0.025 0.000 0.628 472 A CB -0.476 18.529 19.000 0.008 0.000 0.814 472 A HN 0.272 nan 8.150 nan 0.000 0.444 473 L N -0.458 120.765 121.223 0.000 0.000 2.131 473 L HA -0.102 4.255 4.340 0.029 0.000 0.210 473 L C 2.280 179.170 176.870 0.033 0.000 1.092 473 L CA 1.226 56.066 54.840 0.001 0.000 0.759 473 L CB -0.596 41.431 42.059 -0.054 0.000 0.903 473 L HN 0.370 nan 8.230 nan 0.000 0.435 474 L N -0.974 120.264 121.223 0.024 0.000 2.376 474 L HA -0.145 4.212 4.340 0.029 0.000 0.219 474 L C 1.477 178.373 176.870 0.045 0.000 1.133 474 L CA 0.567 55.428 54.840 0.035 0.000 0.816 474 L CB -0.400 41.677 42.059 0.031 0.000 0.933 474 L HN 0.261 nan 8.230 nan 0.000 0.449 475 D N -0.292 120.130 120.400 0.037 0.000 2.363 475 D HA -0.006 4.651 4.640 0.029 0.000 0.226 475 D C 0.401 176.719 176.300 0.030 0.000 1.020 475 D CA 0.495 54.512 54.000 0.029 0.000 0.892 475 D CB 0.396 41.208 40.800 0.019 0.000 0.900 475 D HN 0.076 nan 8.370 nan 0.000 0.531 476 V N 2.422 122.366 119.914 0.050 0.000 2.304 476 V HA 0.069 4.206 4.120 0.029 0.000 0.262 476 V C -1.367 174.768 176.094 0.069 0.000 1.061 476 V CA -1.351 60.980 62.300 0.050 0.000 0.872 476 V CB 1.319 33.192 31.823 0.083 0.000 1.077 476 V HN -0.123 nan 8.190 nan 0.000 0.480 477 P HA -0.296 nan 4.420 nan 0.000 0.221 477 P C 1.812 179.157 177.300 0.076 0.000 1.107 477 P CA 1.780 64.904 63.100 0.040 0.000 0.986 477 P CB 0.070 31.776 31.700 0.010 0.000 0.774 478 V N -1.091 118.856 119.914 0.056 0.000 2.317 478 V HA -0.257 3.880 4.120 0.029 0.000 0.251 478 V C 2.458 178.740 176.094 0.312 0.000 1.065 478 V CA 2.022 64.387 62.300 0.109 0.000 1.049 478 V CB -1.254 30.544 31.823 -0.040 0.000 0.651 478 V HN 0.127 nan 8.190 nan 0.000 0.450 479 L N -0.344 121.126 121.223 0.412 0.000 2.072 479 L HA -0.076 4.281 4.340 0.029 0.000 0.205 479 L C 2.530 179.623 176.870 0.371 0.000 1.079 479 L CA 1.561 56.710 54.840 0.515 0.000 0.752 479 L CB -0.473 41.873 42.059 0.477 0.000 0.906 479 L HN 0.311 nan 8.230 nan 0.000 0.436 480 A N -0.055 122.902 122.820 0.228 0.000 1.845 480 A HA -0.195 4.142 4.320 0.029 0.000 0.215 480 A C 2.467 180.156 177.584 0.174 0.000 1.195 480 A CA 1.737 53.875 52.037 0.169 0.000 0.616 480 A CB -1.151 17.903 19.000 0.091 0.000 0.832 480 A HN 0.535 nan 8.150 nan 0.000 0.443 481 A N -0.693 122.201 122.820 0.123 0.000 1.927 481 A HA -0.252 4.085 4.320 0.029 0.000 0.220 481 A C 2.213 179.829 177.584 0.054 0.000 1.185 481 A CA 1.931 54.008 52.037 0.065 0.000 0.639 481 A CB -0.582 18.450 19.000 0.052 0.000 0.820 481 A HN 0.374 nan 8.150 nan 0.000 0.451 482 R N -1.457 119.114 120.500 0.117 0.000 2.303 482 R HA -0.072 4.285 4.340 0.029 0.000 0.225 482 R C -0.239 175.879 176.300 -0.303 0.000 1.114 482 R CA 0.920 56.996 56.100 -0.039 0.000 1.007 482 R CB -0.445 29.883 30.300 0.046 0.000 0.861 482 R HN 0.547 nan 8.270 nan 0.000 0.471 483 F N 0.353 120.278 119.950 -0.042 0.000 2.814 483 F HA 0.243 4.787 4.527 0.029 0.000 0.326 483 F C -0.057 175.592 175.800 -0.250 0.000 1.159 483 F CA -1.055 56.906 58.000 -0.064 0.000 1.234 483 F CB 0.403 39.399 39.000 -0.007 0.000 1.016 483 F HN -0.109 nan 8.300 nan 0.000 0.510 484 D N 2.210 122.515 120.400 -0.159 0.000 2.740 484 D HA -0.212 4.445 4.640 0.029 0.000 0.231 484 D C -0.145 175.907 176.300 -0.415 0.000 1.194 484 D CA 0.866 54.660 54.000 -0.342 0.000 0.673 484 D CB -0.544 39.940 40.800 -0.526 0.000 0.995 484 D HN 0.282 nan 8.370 nan 0.000 0.411 485 I N 0.869 121.355 120.570 -0.141 0.000 2.436 485 I HA 0.174 4.361 4.170 0.029 0.000 0.289 485 I C 0.981 177.083 176.117 -0.025 0.000 1.010 485 I CA -0.519 60.741 61.300 -0.067 0.000 1.098 485 I CB 1.944 39.952 38.000 0.013 0.000 1.266 485 I HN -0.101 nan 8.210 nan 0.000 0.434 486 T N 0.783 115.324 114.554 -0.023 0.000 2.944 486 T HA 0.277 4.644 4.350 0.029 0.000 0.284 486 T C 0.809 175.514 174.700 0.008 0.000 1.010 486 T CA -0.682 61.414 62.100 -0.006 0.000 1.025 486 T CB 2.362 71.225 68.868 -0.009 0.000 1.079 486 T HN 0.480 nan 8.240 nan 0.000 0.516 487 E N 0.054 120.263 120.200 0.014 0.000 2.204 487 E HA -0.157 4.210 4.350 0.029 0.000 0.195 487 E C 1.776 178.394 176.600 0.031 0.000 0.990 487 E CA 0.850 57.261 56.400 0.020 0.000 0.821 487 E CB -0.011 29.700 29.700 0.017 0.000 0.750 487 E HN 0.706 nan 8.360 nan 0.000 0.477 488 E N -0.134 120.086 120.200 0.034 0.000 2.017 488 E HA -0.121 4.246 4.350 0.029 0.000 0.193 488 E C 2.022 178.673 176.600 0.085 0.000 0.997 488 E CA 1.287 57.724 56.400 0.063 0.000 0.804 488 E CB -0.560 29.164 29.700 0.040 0.000 0.757 488 E HN 0.319 nan 8.360 nan 0.000 0.448 489 G N 1.874 110.679 108.800 0.008 0.000 2.422 489 G HA2 -0.241 3.737 3.960 0.029 0.000 0.218 489 G HA3 -0.241 3.737 3.960 0.029 0.000 0.218 489 G C 1.814 176.707 174.900 -0.011 0.000 1.146 489 G CA 0.667 45.739 45.100 -0.047 0.000 0.769 489 G HN 0.286 nan 8.290 nan 0.000 0.547 490 L N 0.069 121.296 121.223 0.007 0.000 2.021 490 L HA -0.183 4.174 4.340 0.029 0.000 0.215 490 L C 3.198 180.060 176.870 -0.014 0.000 1.074 490 L CA 1.606 56.447 54.840 0.002 0.000 0.760 490 L CB -0.233 41.835 42.059 0.016 0.000 0.889 490 L HN 0.232 nan 8.230 nan 0.000 0.433 491 R N -1.621 118.889 120.500 0.018 0.000 2.139 491 R HA -0.235 4.122 4.340 0.029 0.000 0.243 491 R C 2.015 178.239 176.300 -0.126 0.000 1.145 491 R CA 1.838 57.924 56.100 -0.024 0.000 0.976 491 R CB -0.420 29.879 30.300 -0.003 0.000 0.866 491 R HN 0.400 nan 8.270 nan 0.000 0.449 492 Y N 0.460 120.542 120.300 -0.363 0.000 2.177 492 Y HA -0.052 4.515 4.550 0.029 0.000 0.291 492 Y C 2.266 177.533 175.900 -1.055 0.000 1.117 492 Y CA 0.846 58.488 58.100 -0.763 0.000 1.114 492 Y CB -0.612 37.249 38.460 -0.999 0.000 1.017 492 Y HN -0.114 nan 8.280 nan 0.000 0.505 493 L N -0.142 120.715 121.223 -0.610 0.000 2.010 493 L HA -0.357 4.000 4.340 0.029 0.000 0.219 493 L C 2.589 179.404 176.870 -0.092 0.000 1.077 493 L CA 2.047 56.722 54.840 -0.276 0.000 0.773 493 L CB -0.680 41.353 42.059 -0.044 0.000 0.892 493 L HN 0.160 nan 8.230 nan 0.000 0.436 494 R N -0.115 120.338 120.500 -0.079 0.000 2.103 494 R HA -0.262 4.095 4.340 0.029 0.000 0.242 494 R C 2.407 178.698 176.300 -0.016 0.000 1.142 494 R CA 2.110 58.200 56.100 -0.017 0.000 0.960 494 R CB -0.224 30.064 30.300 -0.020 0.000 0.858 494 R HN 0.452 nan 8.270 nan 0.000 0.439 495 Q N -0.632 119.128 119.800 -0.066 0.000 2.049 495 Q HA -0.168 4.189 4.340 0.029 0.000 0.198 495 Q C 1.622 177.743 176.000 0.202 0.000 0.971 495 Q CA 1.493 57.318 55.803 0.036 0.000 0.833 495 Q CB -0.144 28.601 28.738 0.012 0.000 0.896 495 Q HN 0.404 nan 8.270 nan 0.000 0.434 496 W N 0.350 121.710 121.300 0.099 0.000 2.335 496 W HA -0.147 4.531 4.660 0.029 0.000 0.311 496 W C 2.234 178.630 176.519 -0.205 0.000 1.213 496 W CA 0.442 57.798 57.345 0.019 0.000 1.274 496 W CB -1.220 28.351 29.460 0.185 0.000 1.148 496 W HN 0.072 nan 8.180 nan 0.000 0.498 497 V N 1.283 121.271 119.914 0.123 0.000 2.282 497 V HA -0.361 3.776 4.120 0.029 0.000 0.249 497 V C 2.412 178.437 176.094 -0.115 0.000 1.057 497 V CA 2.403 64.668 62.300 -0.057 0.000 1.032 497 V CB -1.049 30.734 31.823 -0.066 0.000 0.645 497 V HN 0.193 nan 8.190 nan 0.000 0.447 498 N N 0.575 119.248 118.700 -0.044 0.000 2.062 498 N HA -0.184 4.573 4.740 0.029 0.000 0.191 498 N C 1.846 177.332 175.510 -0.041 0.000 1.042 498 N CA 2.047 55.077 53.050 -0.033 0.000 0.845 498 N CB -0.246 38.246 38.487 0.010 0.000 1.024 498 N HN 0.596 nan 8.380 nan 0.000 0.424 499 E N -0.349 119.833 120.200 -0.030 0.000 2.268 499 E HA -0.072 4.295 4.350 0.029 0.000 0.195 499 E C 1.653 178.097 176.600 -0.260 0.000 0.995 499 E CA 1.098 57.477 56.400 -0.035 0.000 0.836 499 E CB -0.057 29.749 29.700 0.176 0.000 0.763 499 E HN 0.536 nan 8.360 nan 0.000 0.491 500 S N -0.812 114.590 115.700 -0.496 0.000 2.527 500 S HA 0.141 4.628 4.470 0.029 0.000 0.222 500 S C 1.604 176.131 174.600 -0.122 0.000 0.985 500 S CA 0.320 58.209 58.200 -0.520 0.000 0.921 500 S CB 0.558 63.405 63.200 -0.587 0.000 0.772 500 S HN 0.346 nan 8.310 nan 0.000 0.529 501 G N 0.891 109.667 108.800 -0.041 0.000 2.148 501 G HA2 -0.179 3.798 3.960 0.029 0.000 0.203 501 G HA3 -0.179 3.798 3.960 0.029 0.000 0.203 501 G C -0.063 174.902 174.900 0.109 0.000 0.993 501 G CA -0.153 45.016 45.100 0.116 0.000 0.661 501 G HN 0.533 nan 8.290 nan 0.000 0.518 502 I N 0.814 121.344 120.570 -0.067 0.000 2.529 502 I HA 0.445 4.632 4.170 0.029 0.000 0.284 502 I C 1.590 177.591 176.117 -0.194 0.000 1.082 502 I CA 0.312 61.477 61.300 -0.226 0.000 1.406 502 I CB 0.831 38.460 38.000 -0.618 0.000 1.405 502 I HN 0.434 nan 8.210 nan 0.000 0.548 503 R N 2.399 122.832 120.500 -0.110 0.000 2.243 503 R HA 0.066 4.424 4.340 0.029 0.000 0.168 503 R C 0.077 176.501 176.300 0.207 0.000 0.848 503 R CA -0.401 55.716 56.100 0.028 0.000 1.662 503 R CB -0.225 30.114 30.300 0.065 0.000 1.566 503 R HN 0.550 nan 8.270 nan 0.000 0.460 504 W N 2.471 123.774 121.300 0.006 0.000 2.754 504 W HA 0.631 5.308 4.660 0.028 0.000 0.644 504 W C 0.966 177.649 176.519 0.273 0.000 2.068 504 W CA 1.187 58.598 57.345 0.111 0.000 0.953 504 W CB -0.520 28.981 29.460 0.068 0.000 3.251 504 W HN 0.054 nan 8.180 nan 0.000 0.680 505 G N 0.886 110.079 108.800 0.655 0.000 2.504 505 G HA2 0.260 4.237 3.960 0.029 0.000 0.288 505 G HA3 0.260 4.237 3.960 0.029 0.000 0.288 505 G C 0.269 175.423 174.900 0.422 0.000 1.182 505 G CA -0.446 44.943 45.100 0.482 0.000 0.894 505 G HN 0.475 nan 8.290 nan 0.000 0.521 506 I N -0.568 120.040 120.570 0.064 0.000 2.072 506 I HA -0.068 4.120 4.170 0.029 0.000 0.235 506 I C 1.064 177.195 176.117 0.023 0.000 1.058 506 I CA 1.256 62.460 61.300 -0.159 0.000 1.320 506 I CB 0.124 37.518 38.000 -1.010 0.000 1.047 506 I HN 0.377 nan 8.210 nan 0.000 0.397 507 D N -0.405 119.976 120.400 -0.033 0.000 2.496 507 D HA 0.061 4.718 4.640 0.029 0.000 0.283 507 D C 0.403 176.752 176.300 0.082 0.000 1.214 507 D CA -0.110 53.908 54.000 0.029 0.000 1.089 507 D CB 0.582 41.381 40.800 -0.002 0.000 1.141 507 D HN 0.079 nan 8.370 nan 0.000 0.580 508 D N -0.988 119.450 120.400 0.062 0.000 2.463 508 D HA -0.004 4.653 4.640 0.029 0.000 0.237 508 D C 0.991 177.329 176.300 0.062 0.000 1.013 508 D CA 0.494 54.529 54.000 0.059 0.000 0.910 508 D CB 0.131 40.952 40.800 0.035 0.000 1.080 508 D HN 0.224 nan 8.370 nan 0.000 0.498 509 D N 0.303 120.732 120.400 0.049 0.000 2.178 509 D HA -0.143 4.514 4.640 0.029 0.000 0.202 509 D C 1.683 178.023 176.300 0.067 0.000 0.974 509 D CA 0.672 54.701 54.000 0.047 0.000 0.841 509 D CB -0.077 40.742 40.800 0.032 0.000 0.953 509 D HN 0.051 nan 8.370 nan 0.000 0.478 510 N N 0.542 119.284 118.700 0.071 0.000 2.120 510 N HA -0.141 4.616 4.740 0.029 0.000 0.188 510 N C 1.529 177.134 175.510 0.157 0.000 1.024 510 N CA 0.902 54.010 53.050 0.096 0.000 0.852 510 N CB -0.250 38.273 38.487 0.060 0.000 1.003 510 N HN 0.069 nan 8.380 nan 0.000 0.424 511 V N 1.010 121.041 119.914 0.194 0.000 2.307 511 V HA -0.096 4.041 4.120 0.029 0.000 0.245 511 V C 2.540 178.742 176.094 0.180 0.000 1.045 511 V CA 1.536 64.002 62.300 0.277 0.000 1.024 511 V CB -0.460 31.507 31.823 0.239 0.000 0.651 511 V HN 0.313 nan 8.190 nan 0.000 0.449 512 R N -0.048 120.518 120.500 0.110 0.000 2.081 512 R HA -0.173 4.184 4.340 0.029 0.000 0.235 512 R C 2.237 178.585 176.300 0.079 0.000 1.131 512 R CA 1.583 57.730 56.100 0.078 0.000 0.960 512 R CB -0.345 29.986 30.300 0.052 0.000 0.856 512 R HN 0.588 nan 8.270 nan 0.000 0.436 513 E N 0.524 120.773 120.200 0.081 0.000 2.333 513 E HA -0.165 4.203 4.350 0.029 0.000 0.200 513 E C 1.100 177.746 176.600 0.077 0.000 1.010 513 E CA 0.732 57.176 56.400 0.073 0.000 0.841 513 E CB 0.024 29.769 29.700 0.075 0.000 0.757 513 E HN 0.345 nan 8.360 nan 0.000 0.508 514 L N 0.437 121.719 121.223 0.099 0.000 2.685 514 L HA 0.108 4.465 4.340 0.029 0.000 0.233 514 L C -0.185 176.740 176.870 0.093 0.000 1.173 514 L CA -0.049 54.847 54.840 0.093 0.000 0.961 514 L CB -0.143 41.986 42.059 0.115 0.000 1.217 514 L HN 0.030 nan 8.230 nan 0.000 0.478 515 E N 0.787 121.035 120.200 0.079 0.000 2.297 515 E HA -0.212 4.155 4.350 0.029 0.000 0.228 515 E C -0.470 176.177 176.600 0.078 0.000 1.213 515 E CA 0.312 56.752 56.400 0.065 0.000 0.712 515 E CB -1.376 28.354 29.700 0.050 0.000 1.202 515 E HN 0.458 nan 8.360 nan 0.000 0.376 516 L N -0.459 120.824 121.223 0.100 0.000 2.333 516 L HA 0.527 4.884 4.340 0.029 0.000 0.263 516 L C -2.258 174.633 176.870 0.035 0.000 1.014 516 L CA -2.485 52.418 54.840 0.106 0.000 0.820 516 L CB 1.581 43.790 42.059 0.249 0.000 1.352 516 L HN -0.197 nan 8.230 nan 0.000 0.421 517 P HA 0.130 nan 4.420 nan 0.000 0.274 517 P C -0.760 176.447 177.300 -0.155 0.000 1.291 517 P CA -0.257 62.779 63.100 -0.108 0.000 0.815 517 P CB 0.685 32.272 31.700 -0.190 0.000 0.897 518 A N 3.336 126.105 122.820 -0.085 0.000 2.500 518 A HA 0.044 4.381 4.320 0.029 0.000 0.285 518 A C 1.677 179.187 177.584 -0.123 0.000 1.183 518 A CA 0.472 52.458 52.037 -0.086 0.000 0.851 518 A CB -0.582 18.402 19.000 -0.026 0.000 1.091 518 A HN 0.470 nan 8.150 nan 0.000 0.521 519 T N 2.040 116.471 114.554 -0.206 0.000 3.043 519 T HA 0.269 4.636 4.350 0.029 0.000 0.263 519 T C 1.591 176.205 174.700 -0.143 0.000 1.094 519 T CA 1.776 63.770 62.100 -0.178 0.000 1.127 519 T CB -0.459 68.247 68.868 -0.272 0.000 0.905 519 T HN 2.028 nan 8.240 nan 0.000 0.490 520 G N 0.929 109.636 108.800 -0.154 0.000 2.148 520 G HA2 -0.213 3.764 3.960 0.029 0.000 0.254 520 G HA3 -0.213 3.764 3.960 0.029 0.000 0.254 520 G C -0.090 174.641 174.900 -0.282 0.000 0.981 520 G CA 0.410 45.435 45.100 -0.124 0.000 0.670 520 G HN 0.604 nan 8.290 nan 0.000 0.528 521 Q N -1.911 117.589 119.800 -0.500 0.000 2.421 521 Q HA 0.571 4.929 4.340 0.029 0.000 0.280 521 Q C 0.815 176.302 176.000 -0.854 0.000 1.085 521 Q CA -0.876 54.221 55.803 -1.176 0.000 0.807 521 Q CB 1.397 29.334 28.738 -1.334 0.000 1.405 521 Q HN 0.443 nan 8.270 nan 0.000 0.419 522 H N -2.397 116.257 119.070 -0.693 0.000 3.641 522 H HA -0.177 4.397 4.556 0.029 0.000 0.193 522 H C 0.252 175.558 175.328 -0.036 0.000 1.013 522 H CA 1.405 57.307 56.048 -0.243 0.000 1.212 522 H CB -1.855 27.715 29.762 -0.321 0.000 1.089 522 H HN 0.787 nan 8.280 nan 0.000 0.339 523 T N -3.229 111.381 114.554 0.093 0.000 2.770 523 T HA 0.204 4.571 4.350 0.029 0.000 0.281 523 T C 1.370 176.204 174.700 0.223 0.000 0.981 523 T CA -0.027 62.209 62.100 0.226 0.000 0.955 523 T CB 1.038 70.033 68.868 0.213 0.000 1.060 523 T HN 0.213 nan 8.240 nan 0.000 0.531 524 W N 0.101 121.497 121.300 0.160 0.000 2.379 524 W HA 0.143 4.820 4.660 0.028 0.000 0.307 524 W C 3.115 179.703 176.519 0.114 0.000 1.200 524 W CA 0.751 58.174 57.345 0.130 0.000 1.297 524 W CB -0.357 29.152 29.460 0.081 0.000 1.140 524 W HN 0.704 nan 8.180 nan 0.000 0.507 525 R N -0.377 120.317 120.500 0.324 0.000 2.139 525 R HA -0.236 4.121 4.340 0.029 0.000 0.243 525 R C 2.106 178.523 176.300 0.194 0.000 1.145 525 R CA 1.828 58.057 56.100 0.214 0.000 0.976 525 R CB -0.783 29.611 30.300 0.156 0.000 0.866 525 R HN 0.194 nan 8.270 nan 0.000 0.449 526 F N 0.022 120.004 119.950 0.054 0.000 2.022 526 F HA 0.052 4.596 4.527 0.028 0.000 0.293 526 F C 2.203 178.003 175.800 -0.001 0.000 1.142 526 F CA 2.031 60.028 58.000 -0.005 0.000 1.177 526 F CB -1.103 37.849 39.000 -0.081 0.000 0.982 526 F HN 0.068 nan 8.300 nan 0.000 0.473 527 G N 1.526 110.360 108.800 0.057 0.000 2.556 527 G HA2 -0.287 3.691 3.960 0.029 0.000 0.220 527 G HA3 -0.287 3.691 3.960 0.029 0.000 0.220 527 G C 1.653 176.505 174.900 -0.080 0.000 1.156 527 G CA 1.265 46.307 45.100 -0.096 0.000 0.766 527 G HN 0.372 nan 8.290 nan 0.000 0.583 528 L N 0.644 121.901 121.223 0.057 0.000 2.017 528 L HA -0.069 4.289 4.340 0.029 0.000 0.208 528 L C 3.154 180.042 176.870 0.030 0.000 1.073 528 L CA 2.174 57.075 54.840 0.102 0.000 0.745 528 L CB -1.712 40.455 42.059 0.180 0.000 0.894 528 L HN 0.222 nan 8.230 nan 0.000 0.432 529 T N -0.362 114.190 114.554 -0.004 0.000 2.635 529 T HA -0.231 4.136 4.350 0.029 0.000 0.267 529 T C 2.019 176.683 174.700 -0.060 0.000 1.040 529 T CA 1.321 63.417 62.100 -0.008 0.000 1.156 529 T CB -0.157 68.707 68.868 -0.006 0.000 0.863 529 T HN 0.277 nan 8.240 nan 0.000 0.430 530 R N 0.148 120.519 120.500 -0.215 0.000 2.139 530 R HA -0.025 4.332 4.340 0.029 0.000 0.243 530 R C 2.457 178.750 176.300 -0.012 0.000 1.145 530 R CA 1.316 57.306 56.100 -0.183 0.000 0.976 530 R CB -0.336 29.756 30.300 -0.348 0.000 0.866 530 R HN 0.445 nan 8.270 nan 0.000 0.449 531 M N -0.060 119.543 119.600 0.005 0.000 2.160 531 M HA -0.086 4.411 4.480 0.029 0.000 0.264 531 M C 2.128 178.450 176.300 0.037 0.000 1.073 531 M CA 1.404 56.743 55.300 0.065 0.000 1.142 531 M CB 0.007 32.658 32.600 0.085 0.000 1.358 531 M HN 0.083 nan 8.290 nan 0.000 0.422 532 L N -0.271 120.973 121.223 0.034 0.000 2.156 532 L HA -0.143 4.214 4.340 0.029 0.000 0.208 532 L C 2.310 179.216 176.870 0.060 0.000 1.095 532 L CA 0.402 55.264 54.840 0.038 0.000 0.770 532 L CB -0.460 41.603 42.059 0.007 0.000 0.914 532 L HN 0.364 nan 8.230 nan 0.000 0.439 533 L N -0.003 121.236 121.223 0.026 0.000 2.275 533 L HA -0.081 4.276 4.340 0.029 0.000 0.215 533 L C 2.197 179.052 176.870 -0.026 0.000 1.119 533 L CA 1.656 56.489 54.840 -0.012 0.000 0.790 533 L CB -0.849 41.236 42.059 0.043 0.000 0.919 533 L HN 0.271 nan 8.230 nan 0.000 0.443 534 G N -1.757 107.041 108.800 -0.004 0.000 2.453 534 G HA2 -0.327 3.650 3.960 0.029 0.000 0.215 534 G HA3 -0.327 3.650 3.960 0.029 0.000 0.215 534 G C 1.411 176.283 174.900 -0.047 0.000 1.147 534 G CA 0.425 45.495 45.100 -0.050 0.000 0.802 534 G HN 0.439 nan 8.290 nan 0.000 0.535 535 Y N 2.159 122.383 120.300 -0.126 0.000 2.173 535 Y HA -0.083 4.484 4.550 0.029 0.000 0.282 535 Y C 1.988 177.822 175.900 -0.110 0.000 1.192 535 Y CA 1.130 59.160 58.100 -0.117 0.000 1.176 535 Y CB -0.297 38.110 38.460 -0.089 0.000 0.969 535 Y HN 0.337 nan 8.280 nan 0.000 0.519 536 A N 0.193 122.903 122.820 -0.183 0.000 3.888 536 A HA 0.388 4.725 4.320 0.029 0.000 0.158 536 A C 0.330 177.800 177.584 -0.189 0.000 1.485 536 A CA -0.156 51.715 52.037 -0.277 0.000 1.261 536 A CB -0.687 18.191 19.000 -0.204 0.000 1.670 536 A HN 0.357 nan 8.150 nan 0.000 0.661 537 M N 1.178 120.673 119.600 -0.174 0.000 2.142 537 M HA -0.142 4.355 4.480 0.029 0.000 0.529 537 M C 0.445 176.678 176.300 -0.112 0.000 1.242 537 M CA 0.929 56.146 55.300 -0.139 0.000 0.604 537 M CB -0.343 32.167 32.600 -0.149 0.000 1.931 537 M HN 0.741 nan 8.290 nan 0.000 0.576 538 E N 3.410 123.551 120.200 -0.098 0.000 2.392 538 E HA 0.144 4.511 4.350 0.029 0.000 0.256 538 E C 0.610 177.171 176.600 -0.065 0.000 1.145 538 E CA -0.114 56.232 56.400 -0.089 0.000 0.929 538 E CB 0.957 30.608 29.700 -0.082 0.000 0.998 538 E HN 0.775 nan 8.360 nan 0.000 0.442 539 S N 1.354 117.015 115.700 -0.066 0.000 2.381 539 S HA -0.287 4.200 4.470 0.029 0.000 0.230 539 S C 1.244 175.830 174.600 -0.022 0.000 1.052 539 S CA 1.579 59.756 58.200 -0.039 0.000 1.068 539 S CB -0.730 62.445 63.200 -0.042 0.000 0.918 539 S HN 0.649 nan 8.310 nan 0.000 0.448 540 A N -0.384 122.420 122.820 -0.027 0.000 2.529 540 A HA 0.326 4.664 4.320 0.029 0.000 0.243 540 A C 1.052 178.625 177.584 -0.017 0.000 1.781 540 A CA 0.837 52.861 52.037 -0.021 0.000 0.877 540 A CB -0.387 18.601 19.000 -0.021 0.000 1.601 540 A HN 0.565 nan 8.150 nan 0.000 0.674 541 Q N -2.713 117.078 119.800 -0.015 0.000 2.177 541 Q HA -0.246 4.111 4.340 0.029 0.000 0.174 541 Q C 0.788 176.792 176.000 0.006 0.000 0.609 541 Q CA 2.641 58.439 55.803 -0.009 0.000 1.453 541 Q CB -2.574 26.151 28.738 -0.022 0.000 1.591 541 Q HN 2.664 nan 8.270 nan 0.000 0.818 542 G N 0.797 109.601 108.800 0.006 0.000 2.757 542 G HA2 -0.179 3.798 3.960 0.029 0.000 0.638 542 G HA3 -0.179 3.798 3.960 0.029 0.000 0.638 542 G C -0.453 174.476 174.900 0.048 0.000 1.344 542 G CA -0.030 45.082 45.100 0.019 0.000 0.855 542 G HN 0.519 nan 8.290 nan 0.000 0.537 543 E N -0.176 120.056 120.200 0.052 0.000 2.373 543 E HA 0.388 4.755 4.350 0.029 0.000 0.267 543 E C 0.789 177.485 176.600 0.160 0.000 1.032 543 E CA -0.353 56.096 56.400 0.082 0.000 0.889 543 E CB 1.085 30.809 29.700 0.039 0.000 0.984 543 E HN 0.681 nan 8.360 nan 0.000 0.425 544 W N 3.079 124.368 121.300 -0.018 0.000 2.423 544 W HA 0.018 4.695 4.660 0.028 0.000 0.300 544 W C 0.592 177.108 176.519 -0.006 0.000 1.005 544 W CA 0.674 58.010 57.345 -0.014 0.000 1.314 544 W CB -0.320 29.130 29.460 -0.018 0.000 1.253 544 W HN 0.394 nan 8.180 nan 0.000 0.470 545 Q N 2.105 121.608 119.800 -0.494 0.000 3.006 545 Q HA 0.191 4.548 4.340 0.029 0.000 0.260 545 Q C 0.276 176.137 176.000 -0.232 0.000 1.356 545 Q CA 0.627 56.056 55.803 -0.624 0.000 1.070 545 Q CB -0.018 28.112 28.738 -1.012 0.000 1.507 545 Q HN 0.527 nan 8.270 nan 0.000 0.568 546 S N -1.555 114.074 115.700 -0.118 0.000 3.146 546 S HA -0.152 4.335 4.470 0.029 0.000 0.285 546 S C 0.453 175.073 174.600 0.034 0.000 1.293 546 S CA 0.990 59.165 58.200 -0.041 0.000 1.137 546 S CB -1.356 61.814 63.200 -0.051 0.000 1.357 546 S HN 0.367 nan 8.310 nan 0.000 0.678 547 V N 2.177 122.114 119.914 0.039 0.000 2.581 547 V HA 0.617 4.754 4.120 0.029 0.000 0.303 547 V C 0.082 176.215 176.094 0.066 0.000 1.041 547 V CA -0.822 61.518 62.300 0.066 0.000 0.907 547 V CB 1.905 33.733 31.823 0.008 0.000 0.994 547 V HN 0.375 nan 8.190 nan 0.000 0.442 548 L N 7.335 128.579 121.223 0.036 0.000 2.287 548 L HA 0.582 4.939 4.340 0.029 0.000 0.287 548 L C -2.261 174.623 176.870 0.023 0.000 1.022 548 L CA -2.087 52.781 54.840 0.047 0.000 0.814 548 L CB 2.081 44.179 42.059 0.066 0.000 1.217 548 L HN 0.444 nan 8.230 nan 0.000 0.420 549 P HA -0.061 nan 4.420 nan 0.000 0.267 549 P C -1.433 175.899 177.300 0.052 0.000 1.201 549 P CA 0.184 63.296 63.100 0.021 0.000 0.775 549 P CB 0.385 32.082 31.700 -0.006 0.000 0.854 550 Y N 2.440 122.684 120.300 -0.093 0.000 2.464 550 Y HA 0.208 4.775 4.550 0.028 0.000 0.326 550 Y C 0.584 176.401 175.900 -0.138 0.000 0.969 550 Y CA -0.672 57.369 58.100 -0.098 0.000 1.270 550 Y CB 0.326 38.718 38.460 -0.112 0.000 1.103 550 Y HN 0.190 nan 8.280 nan 0.000 0.491 551 D N 1.642 121.742 120.400 -0.501 0.000 2.312 551 D HA -0.138 4.520 4.640 0.029 0.000 0.211 551 D C 1.221 177.151 176.300 -0.617 0.000 0.964 551 D CA 0.684 54.407 54.000 -0.461 0.000 0.877 551 D CB 0.117 40.754 40.800 -0.271 0.000 0.924 551 D HN 0.494 nan 8.370 nan 0.000 0.515 552 E N 0.620 120.179 120.200 -1.069 0.000 2.273 552 E HA -0.110 4.257 4.350 0.029 0.000 0.198 552 E C 0.470 176.662 176.600 -0.679 0.000 1.002 552 E CA 0.796 56.773 56.400 -0.705 0.000 0.828 552 E CB -0.376 28.983 29.700 -0.568 0.000 0.747 552 E HN 0.436 nan 8.360 nan 0.000 0.491 553 S N -0.541 114.626 115.700 -0.888 0.000 2.790 553 S HA 0.493 4.980 4.470 0.029 0.000 0.202 553 S C 0.574 174.974 174.600 -0.334 0.000 1.383 553 S CA -0.581 57.100 58.200 -0.864 0.000 1.026 553 S CB 1.330 63.892 63.200 -1.063 0.000 1.253 553 S HN -0.139 nan 8.310 nan 0.000 0.489 554 S N 1.507 117.089 115.700 -0.197 0.000 2.818 554 S HA 0.392 4.880 4.470 0.029 0.000 0.251 554 S C 1.416 175.993 174.600 -0.038 0.000 1.083 554 S CA 0.090 58.226 58.200 -0.107 0.000 0.871 554 S CB -0.146 62.967 63.200 -0.144 0.000 0.831 554 S HN 0.782 nan 8.310 nan 0.000 0.470 555 G N 1.855 110.654 108.800 -0.002 0.000 2.479 555 G HA2 0.263 4.240 3.960 0.029 0.000 0.275 555 G HA3 0.263 4.240 3.960 0.029 0.000 0.275 555 G C 0.814 175.760 174.900 0.077 0.000 1.421 555 G CA -0.289 44.831 45.100 0.032 0.000 1.059 555 G HN 0.254 nan 8.290 nan 0.000 0.535 556 L N 0.542 121.809 121.223 0.073 0.000 2.265 556 L HA -0.071 4.286 4.340 0.029 0.000 0.215 556 L C 2.672 179.604 176.870 0.103 0.000 1.117 556 L CA 1.167 56.057 54.840 0.083 0.000 0.782 556 L CB -0.622 41.472 42.059 0.057 0.000 0.914 556 L HN 0.529 nan 8.230 nan 0.000 0.441 557 I N -1.718 118.924 120.570 0.121 0.000 2.530 557 I HA -0.190 3.998 4.170 0.029 0.000 0.257 557 I C 2.330 178.616 176.117 0.282 0.000 1.179 557 I CA 1.294 62.703 61.300 0.181 0.000 1.440 557 I CB -2.409 35.767 38.000 0.293 0.000 1.087 557 I HN 0.285 nan 8.210 nan 0.000 0.440 558 A N 1.142 124.074 122.820 0.187 0.000 2.186 558 A HA -0.219 4.118 4.320 0.029 0.000 0.219 558 A C 2.301 179.942 177.584 0.096 0.000 1.159 558 A CA 1.566 53.696 52.037 0.154 0.000 0.680 558 A CB -0.859 18.336 19.000 0.325 0.000 0.787 558 A HN 0.604 nan 8.150 nan 0.000 0.467 559 E N -0.243 120.014 120.200 0.095 0.000 2.150 559 E HA -0.121 4.247 4.350 0.029 0.000 0.193 559 E C 1.765 178.355 176.600 -0.017 0.000 0.985 559 E CA 0.798 57.193 56.400 -0.008 0.000 0.814 559 E CB -0.170 29.541 29.700 0.019 0.000 0.752 559 E HN 0.709 nan 8.360 nan 0.000 0.466 560 L N -0.030 121.294 121.223 0.170 0.000 2.046 560 L HA -0.177 4.180 4.340 0.029 0.000 0.208 560 L C 2.405 179.440 176.870 0.274 0.000 1.077 560 L CA 0.638 55.634 54.840 0.260 0.000 0.747 560 L CB -0.433 41.766 42.059 0.233 0.000 0.896 560 L HN 0.099 nan 8.230 nan 0.000 0.432 561 V N 0.575 120.694 119.914 0.343 0.000 2.380 561 V HA -0.279 3.858 4.120 0.029 0.000 0.251 561 V C 2.627 178.787 176.094 0.110 0.000 1.063 561 V CA 2.047 64.510 62.300 0.272 0.000 1.055 561 V CB -1.401 30.516 31.823 0.156 0.000 0.657 561 V HN 0.609 nan 8.190 nan 0.000 0.455 562 G N -1.189 107.592 108.800 -0.031 0.000 2.418 562 G HA2 -0.252 3.725 3.960 0.029 0.000 0.217 562 G HA3 -0.252 3.725 3.960 0.029 0.000 0.217 562 G C 1.380 176.267 174.900 -0.022 0.000 1.158 562 G CA 0.864 45.898 45.100 -0.110 0.000 0.771 562 G HN 0.565 nan 8.290 nan 0.000 0.545 563 H N -0.239 118.899 119.070 0.113 0.000 2.321 563 H HA -0.020 4.553 4.556 0.029 0.000 0.300 563 H C 2.535 177.965 175.328 0.169 0.000 1.087 563 H CA 1.350 57.492 56.048 0.156 0.000 1.319 563 H CB -0.653 29.196 29.762 0.144 0.000 1.379 563 H HN 0.300 nan 8.280 nan 0.000 0.501 564 L N 0.941 122.329 121.223 0.275 0.000 1.994 564 L HA -0.044 4.313 4.340 0.029 0.000 0.208 564 L C 2.539 179.508 176.870 0.165 0.000 1.071 564 L CA 1.898 56.859 54.840 0.201 0.000 0.745 564 L CB -0.909 41.307 42.059 0.263 0.000 0.892 564 L HN 0.183 nan 8.230 nan 0.000 0.431 565 A N -1.787 121.138 122.820 0.176 0.000 2.076 565 A HA -0.224 4.114 4.320 0.029 0.000 0.220 565 A C 2.513 180.166 177.584 0.116 0.000 1.160 565 A CA 1.880 54.001 52.037 0.140 0.000 0.653 565 A CB -0.922 18.141 19.000 0.105 0.000 0.801 565 A HN 0.546 nan 8.150 nan 0.000 0.455 566 S N -1.189 114.602 115.700 0.152 0.000 2.395 566 S HA -0.038 4.450 4.470 0.029 0.000 0.225 566 S C 1.810 176.560 174.600 0.251 0.000 1.027 566 S CA 1.063 59.381 58.200 0.197 0.000 0.965 566 S CB -0.384 62.972 63.200 0.261 0.000 0.812 566 S HN 0.509 nan 8.310 nan 0.000 0.482 567 L N 1.936 123.239 121.223 0.134 0.000 1.961 567 L HA 0.071 4.429 4.340 0.029 0.000 0.209 567 L C 2.056 178.878 176.870 -0.080 0.000 1.075 567 L CA 1.696 56.404 54.840 -0.220 0.000 0.749 567 L CB -0.828 40.852 42.059 -0.632 0.000 0.890 567 L HN 0.250 nan 8.230 nan 0.000 0.433 568 L N -0.348 120.802 121.223 -0.121 0.000 2.151 568 L HA -0.315 4.042 4.340 0.029 0.000 0.215 568 L C 2.620 179.473 176.870 -0.029 0.000 1.084 568 L CA 2.575 57.322 54.840 -0.154 0.000 0.764 568 L CB -1.078 40.857 42.059 -0.207 0.000 0.891 568 L HN 0.617 nan 8.230 nan 0.000 0.435 569 M N -0.851 118.772 119.600 0.039 0.000 2.099 569 M HA -0.271 4.226 4.480 0.029 0.000 0.262 569 M C 2.257 178.630 176.300 0.122 0.000 1.067 569 M CA 1.701 57.041 55.300 0.066 0.000 1.124 569 M CB -0.069 32.576 32.600 0.075 0.000 1.353 569 M HN 0.088 nan 8.290 nan 0.000 0.410 570 Q N 0.716 120.620 119.800 0.173 0.000 2.061 570 Q HA -0.114 4.243 4.340 0.029 0.000 0.204 570 Q C 1.888 178.179 176.000 0.485 0.000 0.984 570 Q CA 2.033 57.991 55.803 0.259 0.000 0.846 570 Q CB -0.669 28.144 28.738 0.124 0.000 0.902 570 Q HN 0.661 nan 8.270 nan 0.000 0.421 571 L N -0.029 121.447 121.223 0.422 0.000 2.079 571 L HA -0.212 4.146 4.340 0.029 0.000 0.210 571 L C 2.253 179.343 176.870 0.367 0.000 1.081 571 L CA 1.538 56.655 54.840 0.462 0.000 0.752 571 L CB -0.483 41.758 42.059 0.303 0.000 0.896 571 L HN 0.407 nan 8.230 nan 0.000 0.433 572 N N 0.156 118.961 118.700 0.176 0.000 2.171 572 N HA -0.119 4.638 4.740 0.029 0.000 0.184 572 N C 2.008 177.584 175.510 0.111 0.000 1.021 572 N CA 0.548 53.637 53.050 0.065 0.000 0.854 572 N CB 0.121 38.584 38.487 -0.039 0.000 0.994 572 N HN 0.176 nan 8.380 nan 0.000 0.426 573 I N 0.017 120.660 120.570 0.122 0.000 2.091 573 I HA -0.306 3.881 4.170 0.029 0.000 0.239 573 I C 1.669 177.764 176.117 -0.036 0.000 1.061 573 I CA 1.568 62.868 61.300 -0.001 0.000 1.317 573 I CB -0.444 37.526 38.000 -0.051 0.000 1.031 573 I HN 0.332 nan 8.210 nan 0.000 0.401 574 W N 1.130 122.521 121.300 0.150 0.000 2.381 574 W HA -0.148 4.530 4.660 0.029 0.000 0.301 574 W C 2.823 179.429 176.519 0.144 0.000 1.205 574 W CA 1.405 58.852 57.345 0.171 0.000 1.285 574 W CB -0.440 29.181 29.460 0.270 0.000 1.133 574 W HN 0.126 nan 8.180 nan 0.000 0.521 575 R N 0.841 121.564 120.500 0.372 0.000 2.170 575 R HA -0.133 4.224 4.340 0.029 0.000 0.242 575 R C 1.906 178.322 176.300 0.193 0.000 1.145 575 R CA 1.761 58.039 56.100 0.296 0.000 0.984 575 R CB -0.454 30.063 30.300 0.361 0.000 0.869 575 R HN 0.143 nan 8.270 nan 0.000 0.455 576 R N -0.656 119.921 120.500 0.128 0.000 2.237 576 R HA 0.132 4.489 4.340 0.029 0.000 0.195 576 R C 2.225 178.543 176.300 0.030 0.000 0.956 576 R CA 0.652 56.791 56.100 0.065 0.000 1.029 576 R CB 0.250 30.564 30.300 0.023 0.000 0.972 576 R HN 0.452 nan 8.270 nan 0.000 0.493 577 G N 0.755 109.552 108.800 -0.004 0.000 2.394 577 G HA2 -0.180 3.798 3.960 0.029 0.000 0.215 577 G HA3 -0.180 3.798 3.960 0.029 0.000 0.215 577 G C 1.012 175.933 174.900 0.036 0.000 1.165 577 G CA 0.333 45.380 45.100 -0.088 0.000 0.784 577 G HN 0.064 nan 8.290 nan 0.000 0.535 578 L N 1.514 122.854 121.223 0.195 0.000 2.610 578 L HA 0.333 4.691 4.340 0.029 0.000 0.232 578 L C 2.827 179.869 176.870 0.287 0.000 1.149 578 L CA 0.494 55.534 54.840 0.333 0.000 0.872 578 L CB -0.462 41.835 42.059 0.397 0.000 0.992 578 L HN 0.263 nan 8.230 nan 0.000 0.447 579 A N -1.180 121.744 122.820 0.173 0.000 1.845 579 A HA -0.138 4.199 4.320 0.029 0.000 0.215 579 A C 1.366 179.038 177.584 0.146 0.000 1.195 579 A CA 0.999 53.121 52.037 0.142 0.000 0.616 579 A CB -0.282 18.773 19.000 0.092 0.000 0.832 579 A HN 0.414 nan 8.150 nan 0.000 0.443 580 Q N 0.320 120.181 119.800 0.102 0.000 2.260 580 Q HA 0.297 4.655 4.340 0.029 0.000 0.238 580 Q C -0.851 175.231 176.000 0.137 0.000 0.948 580 Q CA -0.363 55.494 55.803 0.090 0.000 0.895 580 Q CB 0.710 29.463 28.738 0.025 0.000 1.218 580 Q HN 0.607 nan 8.270 nan 0.000 0.470 581 E N 1.694 121.990 120.200 0.160 0.000 2.360 581 E HA 0.216 4.583 4.350 0.029 0.000 0.269 581 E C -0.714 175.948 176.600 0.103 0.000 1.022 581 E CA 0.071 56.623 56.400 0.252 0.000 0.887 581 E CB 0.678 30.504 29.700 0.210 0.000 0.990 581 E HN 0.217 nan 8.360 nan 0.000 0.426 582 R N 2.626 123.191 120.500 0.109 0.000 2.854 582 R HA 0.413 4.770 4.340 0.029 0.000 0.271 582 R C -2.657 173.677 176.300 0.057 0.000 0.994 582 R CA -2.181 53.812 56.100 -0.180 0.000 0.945 582 R CB 0.959 30.751 30.300 -0.847 0.000 1.194 582 R HN 0.325 nan 8.270 nan 0.000 0.476 583 P HA -0.023 nan 4.420 nan 0.000 0.271 583 P C 0.634 178.023 177.300 0.148 0.000 1.216 583 P CA -0.299 62.851 63.100 0.084 0.000 0.771 583 P CB 0.552 32.262 31.700 0.017 0.000 0.864 584 L N 3.979 125.328 121.223 0.210 0.000 2.095 584 L HA -0.274 4.083 4.340 0.029 0.000 0.229 584 L C 2.199 179.160 176.870 0.151 0.000 1.097 584 L CA 2.372 57.324 54.840 0.186 0.000 0.813 584 L CB -1.118 40.940 42.059 -0.001 0.000 0.907 584 L HN 0.573 nan 8.230 nan 0.000 0.445 585 E N -0.322 119.922 120.200 0.073 0.000 2.160 585 E HA -0.253 4.114 4.350 0.029 0.000 0.195 585 E C 1.662 178.316 176.600 0.090 0.000 0.991 585 E CA 1.539 57.976 56.400 0.062 0.000 0.810 585 E CB -0.613 29.104 29.700 0.028 0.000 0.742 585 E HN 0.651 nan 8.360 nan 0.000 0.466 586 E N -0.010 120.217 120.200 0.046 0.000 2.204 586 E HA -0.127 4.240 4.350 0.029 0.000 0.194 586 E C 1.598 178.235 176.600 0.061 0.000 0.989 586 E CA 0.890 57.279 56.400 -0.018 0.000 0.824 586 E CB -0.298 29.302 29.700 -0.167 0.000 0.756 586 E HN 0.442 nan 8.360 nan 0.000 0.477 587 W N 0.933 122.333 121.300 0.168 0.000 2.800 587 W HA 0.057 4.735 4.660 0.029 0.000 0.249 587 W C 1.839 178.661 176.519 0.505 0.000 1.294 587 W CA -0.151 57.390 57.345 0.326 0.000 1.402 587 W CB -0.068 29.548 29.460 0.261 0.000 1.126 587 W HN 0.038 nan 8.180 nan 0.000 0.652 588 L N 1.323 122.858 121.223 0.521 0.000 2.021 588 L HA -0.236 4.121 4.340 0.029 0.000 0.215 588 L C 0.133 177.327 176.870 0.539 0.000 1.074 588 L CA 1.533 56.667 54.840 0.489 0.000 0.760 588 L CB -1.810 40.398 42.059 0.249 0.000 0.889 588 L HN -0.072 nan 8.230 nan 0.000 0.433 589 P HA -0.029 nan 4.420 nan 0.000 0.230 589 P C 1.840 179.289 177.300 0.249 0.000 1.168 589 P CA 0.692 63.947 63.100 0.259 0.000 0.793 589 P CB 0.238 32.049 31.700 0.184 0.000 0.851 590 V N 1.345 121.472 119.914 0.355 0.000 2.250 590 V HA -0.332 3.805 4.120 0.029 0.000 0.253 590 V C 2.983 179.094 176.094 0.027 0.000 1.065 590 V CA 2.498 65.005 62.300 0.345 0.000 1.039 590 V CB -1.741 30.439 31.823 0.596 0.000 0.647 590 V HN 0.303 nan 8.190 nan 0.000 0.446 591 C N 0.301 119.330 119.300 -0.452 0.000 2.413 591 C HA -0.195 4.282 4.460 0.029 0.000 0.277 591 C C 3.003 177.804 174.990 -0.315 0.000 1.228 591 C CA 1.854 60.484 59.018 -0.646 0.000 1.731 591 C CB -1.086 25.887 27.740 -1.278 0.000 2.042 591 C HN 0.625 nan 8.230 nan 0.000 0.468 592 R N 0.345 120.749 120.500 -0.160 0.000 2.081 592 R HA -0.131 4.226 4.340 0.029 0.000 0.235 592 R C 1.959 178.236 176.300 -0.038 0.000 1.131 592 R CA 2.319 58.372 56.100 -0.078 0.000 0.960 592 R CB -0.577 29.729 30.300 0.010 0.000 0.856 592 R HN 0.604 nan 8.270 nan 0.000 0.436 593 D N 0.447 120.879 120.400 0.053 0.000 2.092 593 D HA -0.226 4.431 4.640 0.029 0.000 0.193 593 D C 2.035 178.343 176.300 0.014 0.000 0.994 593 D CA 1.629 55.714 54.000 0.142 0.000 0.828 593 D CB -0.257 40.772 40.800 0.382 0.000 0.963 593 D HN 0.324 nan 8.370 nan 0.000 0.450 594 M N 0.016 119.499 119.600 -0.195 0.000 2.110 594 M HA -0.219 4.279 4.480 0.029 0.000 0.257 594 M C 2.283 178.456 176.300 -0.212 0.000 1.071 594 M CA 1.163 56.170 55.300 -0.488 0.000 1.096 594 M CB -0.364 31.988 32.600 -0.415 0.000 1.300 594 M HN 0.023 nan 8.290 nan 0.000 0.411 595 L N 0.705 121.800 121.223 -0.213 0.000 2.081 595 L HA -0.251 4.106 4.340 0.029 0.000 0.212 595 L C 2.039 178.884 176.870 -0.042 0.000 1.080 595 L CA 1.753 56.515 54.840 -0.129 0.000 0.754 595 L CB -1.085 40.864 42.059 -0.182 0.000 0.893 595 L HN 0.340 nan 8.230 nan 0.000 0.433 596 N N -1.006 117.656 118.700 -0.063 0.000 2.354 596 N HA 0.004 4.762 4.740 0.029 0.000 0.179 596 N C 1.782 177.226 175.510 -0.109 0.000 1.021 596 N CA 1.119 54.141 53.050 -0.048 0.000 0.887 596 N CB -0.128 38.342 38.487 -0.027 0.000 0.974 596 N HN 0.347 nan 8.380 nan 0.000 0.437 597 A N -0.757 121.962 122.820 -0.168 0.000 2.067 597 A HA 0.123 4.461 4.320 0.029 0.000 0.217 597 A C 1.111 178.336 177.584 -0.599 0.000 1.156 597 A CA 0.703 52.531 52.037 -0.349 0.000 0.683 597 A CB -0.226 18.571 19.000 -0.338 0.000 0.808 597 A HN 0.202 nan 8.150 nan 0.000 0.455 598 F N -2.648 117.105 119.950 -0.328 0.000 2.767 598 F HA 0.413 4.957 4.527 0.029 0.000 0.323 598 F C -0.203 175.358 175.800 -0.398 0.000 1.091 598 F CA -0.318 57.471 58.000 -0.351 0.000 1.192 598 F CB 0.595 39.141 39.000 -0.756 0.000 1.056 598 F HN 0.006 nan 8.300 nan 0.000 0.571 599 F N 1.019 121.050 119.950 0.135 0.000 2.539 599 F HA 0.453 4.998 4.527 0.029 0.000 0.318 599 F C -0.674 175.125 175.800 -0.003 0.000 1.135 599 F CA -1.358 56.682 58.000 0.067 0.000 0.915 599 F CB 1.873 40.888 39.000 0.025 0.000 1.176 599 F HN -0.400 nan 8.300 nan 0.000 0.440 600 L N 7.506 128.854 121.223 0.208 0.000 2.315 600 L HA 0.440 4.797 4.340 0.029 0.000 0.278 600 L C -2.037 174.875 176.870 0.069 0.000 1.088 600 L CA -2.462 52.427 54.840 0.082 0.000 0.899 600 L CB -0.065 42.019 42.059 0.041 0.000 1.277 600 L HN 0.212 nan 8.230 nan 0.000 0.431 601 P HA -0.107 nan 4.420 nan 0.000 0.257 601 P C -0.184 177.114 177.300 -0.003 0.000 1.153 601 P CA 0.511 63.618 63.100 0.012 0.000 0.762 601 P CB 0.865 32.568 31.700 0.005 0.000 0.743 602 D N 3.270 123.658 120.400 -0.019 0.000 1.971 602 D HA 0.065 4.722 4.640 0.029 0.000 0.300 602 D C 0.975 177.266 176.300 -0.015 0.000 1.091 602 D CA 0.947 54.937 54.000 -0.017 0.000 0.835 602 D CB 0.603 41.387 40.800 -0.027 0.000 1.002 602 D HN 0.352 nan 8.370 nan 0.000 0.343 603 A N -0.757 122.053 122.820 -0.016 0.000 1.690 603 A HA 0.117 4.454 4.320 0.029 0.000 0.213 603 A C 1.884 179.461 177.584 -0.011 0.000 1.785 603 A CA 0.315 52.345 52.037 -0.012 0.000 1.230 603 A CB -0.143 18.852 19.000 -0.008 0.000 1.175 603 A HN 0.428 nan 8.150 nan 0.000 0.468 604 E N 0.896 121.091 120.200 -0.008 0.000 2.017 604 E HA -0.172 4.196 4.350 0.029 0.000 0.193 604 E C 2.072 178.670 176.600 -0.004 0.000 0.997 604 E CA 2.011 58.414 56.400 0.005 0.000 0.804 604 E CB -0.732 28.976 29.700 0.013 0.000 0.757 604 E HN 0.699 nan 8.360 nan 0.000 0.448 605 T N -0.121 114.418 114.554 -0.026 0.000 2.778 605 T HA -0.232 4.135 4.350 0.029 0.000 0.269 605 T C 1.732 176.391 174.700 -0.068 0.000 1.050 605 T CA 1.456 63.517 62.100 -0.064 0.000 1.137 605 T CB -0.348 68.451 68.868 -0.116 0.000 0.860 605 T HN 0.139 nan 8.240 nan 0.000 0.468 606 E N 1.188 121.361 120.200 -0.045 0.000 2.118 606 E HA -0.092 4.275 4.350 0.029 0.000 0.195 606 E C 2.584 179.159 176.600 -0.042 0.000 0.992 606 E CA 1.124 57.501 56.400 -0.039 0.000 0.804 606 E CB -0.348 29.338 29.700 -0.023 0.000 0.741 606 E HN 0.766 nan 8.360 nan 0.000 0.458 607 A N 1.590 124.388 122.820 -0.038 0.000 1.832 607 A HA -0.061 4.276 4.320 0.029 0.000 0.214 607 A C 2.454 179.994 177.584 -0.073 0.000 1.200 607 A CA 1.639 53.651 52.037 -0.042 0.000 0.610 607 A CB -0.876 18.108 19.000 -0.027 0.000 0.842 607 A HN 0.289 nan 8.150 nan 0.000 0.444 608 A N -0.722 122.041 122.820 -0.094 0.000 1.927 608 A HA -0.251 4.086 4.320 0.029 0.000 0.220 608 A C 2.303 179.811 177.584 -0.126 0.000 1.185 608 A CA 2.204 54.151 52.037 -0.150 0.000 0.639 608 A CB -0.636 18.284 19.000 -0.135 0.000 0.820 608 A HN 0.563 nan 8.150 nan 0.000 0.451 609 M N -1.337 118.192 119.600 -0.118 0.000 2.159 609 M HA -0.131 4.366 4.480 0.029 0.000 0.263 609 M C 2.223 178.462 176.300 -0.103 0.000 1.063 609 M CA 1.920 57.140 55.300 -0.132 0.000 1.110 609 M CB -0.459 32.071 32.600 -0.117 0.000 1.374 609 M HN 0.448 nan 8.290 nan 0.000 0.411 610 T N 1.062 115.575 114.554 -0.069 0.000 2.833 610 T HA -0.134 4.233 4.350 0.029 0.000 0.269 610 T C 1.666 176.350 174.700 -0.026 0.000 1.054 610 T CA 0.939 63.015 62.100 -0.040 0.000 1.135 610 T CB -0.219 68.633 68.868 -0.026 0.000 0.869 610 T HN 0.381 nan 8.240 nan 0.000 0.466 611 L N 0.571 121.769 121.223 -0.042 0.000 2.093 611 L HA -0.060 4.298 4.340 0.029 0.000 0.208 611 L C 2.098 178.975 176.870 0.010 0.000 1.085 611 L CA 1.041 55.867 54.840 -0.024 0.000 0.755 611 L CB -0.267 41.754 42.059 -0.063 0.000 0.904 611 L HN 0.182 nan 8.230 nan 0.000 0.435 612 I N 0.372 120.934 120.570 -0.014 0.000 2.127 612 I HA -0.308 3.880 4.170 0.029 0.000 0.241 612 I C 2.419 178.591 176.117 0.092 0.000 1.075 612 I CA 1.666 62.983 61.300 0.028 0.000 1.334 612 I CB -1.363 36.554 38.000 -0.138 0.000 1.040 612 I HN 0.380 nan 8.210 nan 0.000 0.405 613 E N 0.310 120.523 120.200 0.022 0.000 2.160 613 E HA -0.252 4.116 4.350 0.029 0.000 0.195 613 E C 2.183 178.881 176.600 0.164 0.000 0.991 613 E CA 0.972 57.425 56.400 0.090 0.000 0.810 613 E CB -0.138 29.575 29.700 0.022 0.000 0.742 613 E HN 0.581 nan 8.360 nan 0.000 0.466 614 Q N 0.265 120.131 119.800 0.109 0.000 1.965 614 Q HA -0.180 4.177 4.340 0.029 0.000 0.200 614 Q C 2.365 178.443 176.000 0.131 0.000 0.981 614 Q CA 1.054 56.917 55.803 0.101 0.000 0.834 614 Q CB 0.002 28.777 28.738 0.061 0.000 0.900 614 Q HN 0.239 nan 8.270 nan 0.000 0.426 615 Q N -0.028 119.855 119.800 0.138 0.000 2.112 615 Q HA -0.221 4.137 4.340 0.029 0.000 0.206 615 Q C 1.656 177.768 176.000 0.187 0.000 0.987 615 Q CA 1.227 57.116 55.803 0.144 0.000 0.858 615 Q CB -0.704 28.122 28.738 0.146 0.000 0.905 615 Q HN 0.571 nan 8.270 nan 0.000 0.420 616 W N 1.940 123.287 121.300 0.078 0.000 2.333 616 W HA -0.275 4.403 4.660 0.029 0.000 0.316 616 W C 2.080 178.649 176.519 0.082 0.000 1.215 616 W CA 2.090 59.492 57.345 0.095 0.000 1.278 616 W CB -0.231 29.305 29.460 0.127 0.000 1.154 616 W HN 0.355 nan 8.180 nan 0.000 0.486 617 Q N 0.628 120.562 119.800 0.222 0.000 2.061 617 Q HA -0.202 4.155 4.340 0.029 0.000 0.204 617 Q C 2.344 178.343 176.000 -0.002 0.000 0.984 617 Q CA 2.499 58.360 55.803 0.097 0.000 0.846 617 Q CB -0.571 28.252 28.738 0.141 0.000 0.902 617 Q HN 0.183 nan 8.270 nan 0.000 0.421 618 A N 1.341 124.180 122.820 0.031 0.000 1.842 618 A HA -0.246 4.092 4.320 0.029 0.000 0.217 618 A C 2.063 179.636 177.584 -0.017 0.000 1.206 618 A CA 1.925 53.973 52.037 0.019 0.000 0.630 618 A CB -1.150 17.878 19.000 0.046 0.000 0.839 618 A HN 0.536 nan 8.150 nan 0.000 0.447 619 I N -0.396 120.157 120.570 -0.028 0.000 2.229 619 I HA -0.341 3.846 4.170 0.029 0.000 0.250 619 I C 2.362 178.408 176.117 -0.118 0.000 1.096 619 I CA 1.728 63.009 61.300 -0.032 0.000 1.358 619 I CB -0.405 37.542 38.000 -0.089 0.000 1.047 619 I HN 0.385 nan 8.210 nan 0.000 0.422 620 I N 0.217 120.633 120.570 -0.258 0.000 2.235 620 I HA -0.202 3.985 4.170 0.029 0.000 0.241 620 I C 2.842 178.826 176.117 -0.222 0.000 1.085 620 I CA 1.101 62.228 61.300 -0.289 0.000 1.378 620 I CB -0.480 37.330 38.000 -0.316 0.000 1.076 620 I HN 0.163 nan 8.210 nan 0.000 0.415 621 A N 0.735 123.475 122.820 -0.133 0.000 1.892 621 A HA -0.287 4.051 4.320 0.029 0.000 0.218 621 A C 2.156 179.660 177.584 -0.132 0.000 1.188 621 A CA 2.071 54.050 52.037 -0.097 0.000 0.631 621 A CB -0.791 18.186 19.000 -0.039 0.000 0.822 621 A HN 0.459 nan 8.150 nan 0.000 0.447 622 E N -1.032 119.105 120.200 -0.107 0.000 2.097 622 E HA -0.173 4.195 4.350 0.029 0.000 0.196 622 E C 2.102 178.517 176.600 -0.310 0.000 1.000 622 E CA 0.980 57.331 56.400 -0.082 0.000 0.804 622 E CB -0.399 29.342 29.700 0.069 0.000 0.740 622 E HN 0.642 nan 8.360 nan 0.000 0.454 623 G N 0.624 109.023 108.800 -0.668 0.000 2.421 623 G HA2 -0.185 3.792 3.960 0.029 0.000 0.217 623 G HA3 -0.185 3.792 3.960 0.029 0.000 0.217 623 G C 1.531 175.971 174.900 -0.766 0.000 1.143 623 G CA 0.269 44.421 45.100 -1.580 0.000 0.784 623 G HN 0.077 nan 8.290 nan 0.000 0.541 624 L N 0.706 121.678 121.223 -0.417 0.000 2.072 624 L HA 0.072 4.429 4.340 0.029 0.000 0.205 624 L C 3.180 179.966 176.870 -0.139 0.000 1.079 624 L CA 0.866 55.582 54.840 -0.208 0.000 0.752 624 L CB -0.724 41.257 42.059 -0.130 0.000 0.906 624 L HN 0.294 nan 8.230 nan 0.000 0.436 625 G N 0.133 108.853 108.800 -0.134 0.000 2.491 625 G HA2 -0.324 3.654 3.960 0.029 0.000 0.218 625 G HA3 -0.324 3.654 3.960 0.029 0.000 0.218 625 G C 1.495 176.365 174.900 -0.050 0.000 1.180 625 G CA 0.801 45.859 45.100 -0.070 0.000 0.774 625 G HN 0.474 nan 8.290 nan 0.000 0.562 626 A N -0.568 122.221 122.820 -0.052 0.000 2.258 626 A HA 0.322 4.659 4.320 0.029 0.000 0.206 626 A C 0.991 178.616 177.584 0.068 0.000 1.222 626 A CA 0.905 52.960 52.037 0.029 0.000 0.822 626 A CB -0.445 18.646 19.000 0.151 0.000 0.804 626 A HN 0.519 nan 8.150 nan 0.000 0.483 627 Q N -1.633 118.176 119.800 0.015 0.000 2.430 627 Q HA -0.227 4.130 4.340 0.029 0.000 0.365 627 Q C -0.890 175.196 176.000 0.142 0.000 1.399 627 Q CA 0.509 56.339 55.803 0.045 0.000 1.050 627 Q CB -1.450 27.307 28.738 0.032 0.000 1.201 627 Q HN 0.679 nan 8.270 nan 0.000 0.320 628 Y N 0.163 120.441 120.300 -0.037 0.000 2.383 628 Y HA 0.517 5.085 4.550 0.029 0.000 0.344 628 Y C 1.143 177.061 175.900 0.030 0.000 0.986 628 Y CA 0.179 58.301 58.100 0.037 0.000 1.175 628 Y CB 0.751 39.195 38.460 -0.026 0.000 1.152 628 Y HN 0.358 nan 8.280 nan 0.000 0.511 629 G N 4.054 112.631 108.800 -0.371 0.000 2.607 629 G HA2 -0.165 3.812 3.960 0.029 0.000 0.215 629 G HA3 -0.165 3.812 3.960 0.029 0.000 0.215 629 G C 0.128 174.833 174.900 -0.325 0.000 1.275 629 G CA 0.122 45.060 45.100 -0.270 0.000 0.842 629 G HN 0.610 nan 8.290 nan 0.000 0.555 630 D N 0.999 121.118 120.400 -0.469 0.000 2.505 630 D HA 0.278 4.935 4.640 0.029 0.000 0.229 630 D C 0.810 177.079 176.300 -0.051 0.000 1.215 630 D CA 0.581 54.429 54.000 -0.253 0.000 0.880 630 D CB 0.709 41.369 40.800 -0.233 0.000 1.228 630 D HN 0.347 nan 8.370 nan 0.000 0.497 631 A N 1.662 124.533 122.820 0.086 0.000 2.296 631 A HA 0.482 4.819 4.320 0.029 0.000 0.264 631 A C -0.419 177.362 177.584 0.328 0.000 1.097 631 A CA -0.489 51.666 52.037 0.198 0.000 0.811 631 A CB 0.753 19.839 19.000 0.143 0.000 1.072 631 A HN 0.321 nan 8.150 nan 0.000 0.495 632 V N 2.041 122.190 119.914 0.391 0.000 2.604 632 V HA 0.475 4.612 4.120 0.029 0.000 0.305 632 V C -2.302 173.998 176.094 0.344 0.000 1.043 632 V CA -1.408 61.094 62.300 0.337 0.000 0.888 632 V CB 1.863 33.839 31.823 0.254 0.000 0.995 632 V HN 0.866 nan 8.190 nan 0.000 0.429 633 P HA 0.295 nan 4.420 nan 0.000 0.288 633 P C 0.985 178.258 177.300 -0.044 0.000 1.267 633 P CA -0.390 62.795 63.100 0.143 0.000 0.815 633 P CB 1.913 33.655 31.700 0.071 0.000 0.989 634 L N 2.377 123.577 121.223 -0.038 0.000 1.997 634 L HA -0.304 4.053 4.340 0.029 0.000 0.216 634 L C 2.533 179.267 176.870 -0.228 0.000 1.074 634 L CA 2.786 57.428 54.840 -0.329 0.000 0.763 634 L CB -0.818 41.187 42.059 -0.091 0.000 0.890 634 L HN 0.469 nan 8.230 nan 0.000 0.434 635 S N -0.068 115.566 115.700 -0.110 0.000 2.406 635 S HA -0.333 4.154 4.470 0.029 0.000 0.242 635 S C 1.900 176.414 174.600 -0.143 0.000 1.079 635 S CA 1.736 59.877 58.200 -0.097 0.000 1.133 635 S CB -1.170 61.996 63.200 -0.057 0.000 1.005 635 S HN 0.385 nan 8.310 nan 0.000 0.443 636 L N 1.903 123.006 121.223 -0.199 0.000 1.976 636 L HA -0.140 4.217 4.340 0.029 0.000 0.223 636 L C 2.482 179.169 176.870 -0.305 0.000 1.081 636 L CA 2.065 56.710 54.840 -0.325 0.000 0.784 636 L CB -1.392 40.403 42.059 -0.441 0.000 0.896 636 L HN 0.436 nan 8.230 nan 0.000 0.438 637 L N -0.865 120.162 121.223 -0.328 0.000 2.017 637 L HA -0.236 4.121 4.340 0.029 0.000 0.208 637 L C 2.820 179.627 176.870 -0.105 0.000 1.073 637 L CA 1.498 56.164 54.840 -0.290 0.000 0.745 637 L CB -0.697 41.051 42.059 -0.519 0.000 0.894 637 L HN 0.394 nan 8.230 nan 0.000 0.432 638 R N 0.728 121.182 120.500 -0.077 0.000 2.097 638 R HA -0.228 4.129 4.340 0.029 0.000 0.236 638 R C 1.808 178.094 176.300 -0.023 0.000 1.135 638 R CA 2.475 58.557 56.100 -0.028 0.000 0.934 638 R CB -0.427 29.824 30.300 -0.083 0.000 0.846 638 R HN 0.290 nan 8.270 nan 0.000 0.431 639 D N 0.009 120.384 120.400 -0.042 0.000 2.190 639 D HA -0.179 4.479 4.640 0.029 0.000 0.200 639 D C 1.779 178.090 176.300 0.020 0.000 0.992 639 D CA 1.433 55.425 54.000 -0.013 0.000 0.854 639 D CB -0.100 40.694 40.800 -0.010 0.000 0.936 639 D HN 0.392 nan 8.370 nan 0.000 0.462 640 E N 0.107 120.319 120.200 0.021 0.000 2.060 640 E HA 0.026 4.393 4.350 0.029 0.000 0.189 640 E C 2.030 178.666 176.600 0.061 0.000 0.974 640 E CA 0.135 56.572 56.400 0.062 0.000 0.808 640 E CB -0.332 29.413 29.700 0.075 0.000 0.768 640 E HN 0.168 nan 8.360 nan 0.000 0.453 641 L N 0.079 121.344 121.223 0.069 0.000 2.081 641 L HA -0.225 4.133 4.340 0.029 0.000 0.212 641 L C 2.159 179.085 176.870 0.093 0.000 1.080 641 L CA 1.689 56.604 54.840 0.125 0.000 0.754 641 L CB -0.561 41.632 42.059 0.223 0.000 0.893 641 L HN 0.311 nan 8.230 nan 0.000 0.433 642 A N -0.548 122.305 122.820 0.056 0.000 1.845 642 A HA -0.281 4.056 4.320 0.029 0.000 0.215 642 A C 2.048 179.654 177.584 0.036 0.000 1.195 642 A CA 1.753 53.811 52.037 0.036 0.000 0.616 642 A CB -0.690 18.316 19.000 0.010 0.000 0.832 642 A HN 0.570 nan 8.150 nan 0.000 0.443 643 Q N -0.755 119.065 119.800 0.032 0.000 2.029 643 Q HA -0.265 4.093 4.340 0.029 0.000 0.209 643 Q C 2.441 178.459 176.000 0.031 0.000 0.999 643 Q CA 2.001 57.820 55.803 0.026 0.000 0.857 643 Q CB -0.301 28.452 28.738 0.025 0.000 0.926 643 Q HN 0.601 nan 8.270 nan 0.000 0.415 644 R N 0.062 120.588 120.500 0.044 0.000 2.097 644 R HA -0.198 4.159 4.340 0.029 0.000 0.236 644 R C 2.315 178.639 176.300 0.041 0.000 1.135 644 R CA 1.402 57.529 56.100 0.045 0.000 0.934 644 R CB -0.559 29.779 30.300 0.062 0.000 0.846 644 R HN 0.157 nan 8.270 nan 0.000 0.431 645 L N 1.248 122.502 121.223 0.052 0.000 2.189 645 L HA -0.219 4.139 4.340 0.029 0.000 0.214 645 L C 1.550 178.439 176.870 0.032 0.000 1.097 645 L CA 1.775 56.642 54.840 0.045 0.000 0.764 645 L CB -0.662 41.434 42.059 0.062 0.000 0.900 645 L HN 0.142 nan 8.230 nan 0.000 0.436 646 D N -1.623 118.794 120.400 0.028 0.000 2.277 646 D HA -0.103 4.555 4.640 0.029 0.000 0.208 646 D C 2.103 178.413 176.300 0.016 0.000 0.962 646 D CA 0.695 54.707 54.000 0.020 0.000 0.865 646 D CB 0.264 41.072 40.800 0.014 0.000 0.939 646 D HN 0.470 nan 8.370 nan 0.000 0.510 647 Q N -0.357 119.452 119.800 0.015 0.000 2.391 647 Q HA 0.056 4.413 4.340 0.029 0.000 0.211 647 Q C 0.270 176.277 176.000 0.010 0.000 0.908 647 Q CA -0.067 55.742 55.803 0.010 0.000 0.920 647 Q CB 0.523 29.266 28.738 0.008 0.000 1.056 647 Q HN -0.003 nan 8.270 nan 0.000 0.523 648 E N 2.177 122.386 120.200 0.014 0.000 2.406 648 E HA -0.011 4.356 4.350 0.029 0.000 0.258 648 E C -0.751 175.854 176.600 0.007 0.000 1.043 648 E CA 0.402 56.807 56.400 0.009 0.000 0.929 648 E CB 0.324 30.027 29.700 0.005 0.000 0.969 648 E HN 0.015 nan 8.360 nan 0.000 0.462 649 R N 4.219 124.721 120.500 0.004 0.000 2.664 649 R HA 0.437 4.794 4.340 0.029 0.000 0.286 649 R C -0.443 175.862 176.300 0.009 0.000 0.967 649 R CA -1.088 55.016 56.100 0.008 0.000 0.933 649 R CB 1.223 31.521 30.300 -0.002 0.000 1.146 649 R HN 0.472 nan 8.270 nan 0.000 0.468 650 I N 2.030 122.616 120.570 0.027 0.000 2.339 650 I HA 0.171 4.358 4.170 0.029 0.000 0.290 650 I C 0.424 176.562 176.117 0.035 0.000 0.994 650 I CA -0.325 60.997 61.300 0.036 0.000 1.191 650 I CB 1.257 39.302 38.000 0.076 0.000 1.343 650 I HN 0.711 nan 8.210 nan 0.000 0.458 651 S N 4.150 119.868 115.700 0.030 0.000 2.801 651 S HA 0.179 4.667 4.470 0.029 0.000 0.236 651 S C 0.579 175.224 174.600 0.075 0.000 0.852 651 S CA -0.605 57.621 58.200 0.043 0.000 1.089 651 S CB 0.363 63.553 63.200 -0.016 0.000 1.376 651 S HN 0.504 nan 8.310 nan 0.000 0.470 652 Q N 1.543 121.382 119.800 0.066 0.000 2.230 652 Q HA 0.168 4.526 4.340 0.029 0.000 0.202 652 Q C 1.069 177.121 176.000 0.087 0.000 0.963 652 Q CA 0.796 56.639 55.803 0.066 0.000 0.866 652 Q CB -0.040 28.723 28.738 0.041 0.000 0.931 652 Q HN 0.446 nan 8.270 nan 0.000 0.452 653 R N -0.059 120.495 120.500 0.089 0.000 2.423 653 R HA 0.082 4.440 4.340 0.029 0.000 0.248 653 R C 1.414 177.789 176.300 0.124 0.000 1.019 653 R CA -0.248 55.895 56.100 0.072 0.000 1.119 653 R CB -0.863 29.454 30.300 0.029 0.000 1.176 653 R HN 0.275 nan 8.270 nan 0.000 0.526 654 F N 0.382 120.343 119.950 0.019 0.000 2.161 654 F HA -0.136 4.408 4.527 0.028 0.000 0.300 654 F C 0.832 176.679 175.800 0.077 0.000 1.089 654 F CA 1.358 59.384 58.000 0.043 0.000 1.282 654 F CB 0.395 39.426 39.000 0.052 0.000 1.010 654 F HN -0.017 nan 8.300 nan 0.000 0.485 655 L N -0.313 120.820 121.223 -0.149 0.000 2.861 655 L HA 0.375 4.733 4.340 0.029 0.000 0.290 655 L C 0.171 176.983 176.870 -0.098 0.000 1.346 655 L CA -0.099 54.599 54.840 -0.235 0.000 0.779 655 L CB 0.635 42.549 42.059 -0.241 0.000 1.143 655 L HN 0.165 nan 8.230 nan 0.000 0.548 656 A N -0.296 122.484 122.820 -0.066 0.000 2.185 656 A HA 0.572 4.909 4.320 0.029 0.000 0.208 656 A C 1.126 178.685 177.584 -0.043 0.000 2.237 656 A CA 0.527 52.538 52.037 -0.043 0.000 1.587 656 A CB -0.642 18.343 19.000 -0.025 0.000 1.091 656 A HN 0.252 nan 8.150 nan 0.000 0.449 657 G N 2.143 110.920 108.800 -0.038 0.000 2.661 657 G HA2 0.451 4.428 3.960 0.029 0.000 0.292 657 G HA3 0.451 4.428 3.960 0.029 0.000 0.292 657 G C -2.204 172.671 174.900 -0.042 0.000 0.781 657 G CA -0.484 44.593 45.100 -0.038 0.000 1.860 657 G HN 0.263 nan 8.290 nan 0.000 0.512 658 P HA -0.113 nan 4.420 nan 0.000 0.280 658 P C 0.565 177.856 177.300 -0.015 0.000 1.304 658 P CA 0.312 63.394 63.100 -0.030 0.000 0.892 658 P CB 0.333 32.016 31.700 -0.028 0.000 0.795 659 V N -1.418 118.488 119.914 -0.013 0.000 4.056 659 V HA -0.251 3.887 4.120 0.029 0.000 0.459 659 V C -0.377 175.707 176.094 -0.017 0.000 0.682 659 V CA 0.723 63.020 62.300 -0.005 0.000 1.872 659 V CB -1.831 30.038 31.823 0.077 0.000 2.268 659 V HN 0.706 nan 8.190 nan 0.000 0.494 660 N N 5.538 124.197 118.700 -0.069 0.000 2.457 660 N HA 0.701 5.459 4.740 0.029 0.000 0.250 660 N C -0.594 174.880 175.510 -0.060 0.000 0.982 660 N CA -0.776 52.250 53.050 -0.041 0.000 0.941 660 N CB 1.339 39.793 38.487 -0.054 0.000 1.120 660 N HN 0.553 nan 8.380 nan 0.000 0.505 661 I N 2.230 122.779 120.570 -0.036 0.000 2.315 661 I HA 0.451 4.638 4.170 0.029 0.000 0.291 661 I C 0.713 176.819 176.117 -0.019 0.000 1.006 661 I CA -0.802 60.452 61.300 -0.078 0.000 1.265 661 I CB -0.204 37.720 38.000 -0.127 0.000 1.387 661 I HN 0.777 nan 8.210 nan 0.000 0.475 662 C N 3.255 122.531 119.300 -0.039 0.000 3.166 662 C HA 0.833 5.310 4.460 0.029 0.000 0.377 662 C C 0.311 175.279 174.990 -0.038 0.000 2.575 662 C CA -0.390 58.618 59.018 -0.017 0.000 1.180 662 C CB 1.452 29.197 27.740 0.009 0.000 2.963 662 C HN 0.790 nan 8.230 nan 0.000 0.427 663 T N -0.541 113.995 114.554 -0.030 0.000 2.938 663 T HA 0.708 5.076 4.350 0.029 0.000 0.285 663 T C -0.858 173.833 174.700 -0.016 0.000 1.028 663 T CA -0.509 61.585 62.100 -0.010 0.000 1.005 663 T CB 0.856 69.732 68.868 0.013 0.000 1.157 663 T HN 0.647 nan 8.240 nan 0.000 0.550 664 L N 1.410 122.653 121.223 0.033 0.000 2.363 664 L HA 0.424 4.781 4.340 0.029 0.000 0.286 664 L C 0.007 176.899 176.870 0.037 0.000 1.106 664 L CA -0.076 54.789 54.840 0.041 0.000 0.859 664 L CB -0.132 42.006 42.059 0.132 0.000 1.223 664 L HN 0.597 nan 8.230 nan 0.000 0.446 665 M N 7.275 126.869 119.600 -0.011 0.000 2.144 665 M HA 0.415 4.912 4.480 0.029 0.000 0.356 665 M C -2.181 174.123 176.300 0.007 0.000 1.217 665 M CA -2.132 53.154 55.300 -0.023 0.000 1.087 665 M CB 0.983 33.531 32.600 -0.087 0.000 1.609 665 M HN 0.192 nan 8.290 nan 0.000 0.467 666 P HA 0.103 nan 4.420 nan 0.000 0.275 666 P C -0.526 176.797 177.300 0.038 0.000 1.228 666 P CA -0.015 63.117 63.100 0.053 0.000 0.786 666 P CB 0.793 32.521 31.700 0.047 0.000 0.927 667 M N -0.942 118.697 119.600 0.064 0.000 2.818 667 M HA -0.180 4.317 4.480 0.029 0.000 0.204 667 M C 0.194 176.515 176.300 0.036 0.000 0.552 667 M CA 1.117 56.449 55.300 0.054 0.000 0.687 667 M CB -2.264 30.358 32.600 0.037 0.000 2.512 667 M HN 0.640 nan 8.290 nan 0.000 0.563 668 R N 0.217 120.732 120.500 0.024 0.000 2.684 668 R HA 0.315 4.672 4.340 0.029 0.000 0.252 668 R C -0.603 175.703 176.300 0.010 0.000 1.628 668 R CA 0.232 56.332 56.100 -0.001 0.000 1.622 668 R CB 0.636 30.902 30.300 -0.057 0.000 1.418 668 R HN 0.145 nan 8.270 nan 0.000 0.697 669 S N 3.909 119.609 115.700 0.001 0.000 2.921 669 S HA 0.386 4.873 4.470 0.029 0.000 0.244 669 S C 0.346 174.885 174.600 -0.102 0.000 1.291 669 S CA -0.579 57.612 58.200 -0.015 0.000 1.010 669 S CB -0.282 62.914 63.200 -0.007 0.000 1.255 669 S HN 0.450 nan 8.310 nan 0.000 0.492 670 I N 5.441 125.964 120.570 -0.077 0.000 2.499 670 I HA 0.414 4.601 4.170 0.029 0.000 0.296 670 I C -1.937 174.034 176.117 -0.243 0.000 0.992 670 I CA -2.613 58.462 61.300 -0.376 0.000 1.297 670 I CB 1.461 39.188 38.000 -0.455 0.000 1.410 670 I HN 0.383 nan 8.210 nan 0.000 0.507 671 P HA 0.339 nan 4.420 nan 0.000 0.286 671 P C -1.353 175.747 177.300 -0.333 0.000 1.269 671 P CA -0.030 62.928 63.100 -0.237 0.000 0.787 671 P CB 0.720 32.285 31.700 -0.226 0.000 0.920 672 F N 1.164 121.062 119.950 -0.087 0.000 2.577 672 F HA 0.396 4.940 4.527 0.029 0.000 0.318 672 F C 1.772 177.546 175.800 -0.043 0.000 1.065 672 F CA -0.748 57.217 58.000 -0.058 0.000 0.929 672 F CB 1.999 40.960 39.000 -0.065 0.000 1.237 672 F HN 0.143 nan 8.300 nan 0.000 0.468 673 K N 0.323 120.813 120.400 0.149 0.000 2.057 673 K HA 0.078 4.415 4.320 0.029 0.000 0.206 673 K C -0.218 176.422 176.600 0.067 0.000 1.050 673 K CA 1.045 57.379 56.287 0.078 0.000 0.935 673 K CB 0.160 32.688 32.500 0.047 0.000 0.715 673 K HN 0.226 nan 8.250 nan 0.000 0.439 674 V N 1.581 121.538 119.914 0.071 0.000 2.495 674 V HA 0.280 4.417 4.120 0.029 0.000 0.298 674 V C -0.658 175.416 176.094 -0.033 0.000 1.031 674 V CA -0.828 61.474 62.300 0.004 0.000 0.871 674 V CB 2.040 33.838 31.823 -0.042 0.000 0.988 674 V HN -0.202 nan 8.190 nan 0.000 0.432 675 V N 3.623 123.504 119.914 -0.056 0.000 2.482 675 V HA 0.398 4.535 4.120 0.029 0.000 0.295 675 V C -0.480 175.564 176.094 -0.084 0.000 1.026 675 V CA -0.405 61.827 62.300 -0.113 0.000 0.856 675 V CB 1.744 33.504 31.823 -0.106 0.000 1.001 675 V HN 1.019 nan 8.190 nan 0.000 0.424 676 C N 6.219 125.453 119.300 -0.110 0.000 2.382 676 C HA 0.733 5.211 4.460 0.029 0.000 0.327 676 C C -0.098 174.866 174.990 -0.043 0.000 1.250 676 C CA -0.967 58.047 59.018 -0.007 0.000 1.707 676 C CB 0.619 28.274 27.740 -0.141 0.000 2.272 676 C HN 0.712 nan 8.230 nan 0.000 0.506 677 L N 3.696 124.930 121.223 0.019 0.000 2.349 677 L HA 0.613 4.970 4.340 0.029 0.000 0.278 677 L C -0.642 176.231 176.870 0.006 0.000 0.996 677 L CA -0.248 54.557 54.840 -0.059 0.000 0.825 677 L CB 1.017 43.007 42.059 -0.116 0.000 1.243 677 L HN 0.563 nan 8.230 nan 0.000 0.412 678 L N 2.369 123.552 121.223 -0.067 0.000 2.342 678 L HA 0.639 4.996 4.340 0.029 0.000 0.271 678 L C 0.895 177.723 176.870 -0.070 0.000 1.008 678 L CA -0.636 54.166 54.840 -0.063 0.000 0.818 678 L CB 1.887 43.835 42.059 -0.186 0.000 1.296 678 L HN 0.835 nan 8.230 nan 0.000 0.427 679 G N 2.604 111.470 108.800 0.110 0.000 2.225 679 G HA2 -0.228 3.750 3.960 0.029 0.000 0.264 679 G HA3 -0.228 3.750 3.960 0.029 0.000 0.264 679 G C 0.220 175.249 174.900 0.215 0.000 1.060 679 G CA -0.387 44.858 45.100 0.241 0.000 0.833 679 G HN 0.383 nan 8.290 nan 0.000 0.498 680 M N 1.210 120.933 119.600 0.206 0.000 3.709 680 M HA 0.203 4.700 4.480 0.029 0.000 0.202 680 M C 0.606 176.987 176.300 0.134 0.000 1.360 680 M CA -0.392 55.004 55.300 0.161 0.000 1.600 680 M CB -1.135 31.543 32.600 0.130 0.000 1.061 680 M HN 0.233 nan 8.290 nan 0.000 0.575 681 N N 0.886 119.688 118.700 0.169 0.000 2.495 681 N HA 0.122 4.879 4.740 0.029 0.000 0.280 681 N C -0.550 175.005 175.510 0.074 0.000 1.168 681 N CA -0.409 52.715 53.050 0.124 0.000 0.978 681 N CB 1.341 39.943 38.487 0.193 0.000 1.191 681 N HN 0.267 nan 8.380 nan 0.000 0.497 682 D N -0.516 119.915 120.400 0.052 0.000 2.458 682 D HA 0.208 4.865 4.640 0.029 0.000 0.243 682 D C 1.164 177.484 176.300 0.034 0.000 1.146 682 D CA 1.143 55.160 54.000 0.028 0.000 0.877 682 D CB 0.161 40.982 40.800 0.036 0.000 1.176 682 D HN 0.735 nan 8.370 nan 0.000 0.461 683 G N 1.758 110.560 108.800 0.002 0.000 2.199 683 G HA2 -0.264 3.713 3.960 0.029 0.000 0.254 683 G HA3 -0.264 3.713 3.960 0.029 0.000 0.254 683 G C 0.871 175.775 174.900 0.007 0.000 0.982 683 G CA 0.362 45.460 45.100 -0.004 0.000 0.632 683 G HN 0.539 nan 8.290 nan 0.000 0.529 684 V N -0.922 119.014 119.914 0.037 0.000 2.911 684 V HA 0.237 4.374 4.120 0.029 0.000 0.237 684 V C 1.801 177.933 176.094 0.064 0.000 1.156 684 V CA 1.687 64.028 62.300 0.068 0.000 1.180 684 V CB -0.546 31.357 31.823 0.132 0.000 0.932 684 V HN 0.369 nan 8.190 nan 0.000 0.483 685 Y N 3.838 124.134 120.300 -0.005 0.000 2.174 685 Y HA 0.149 4.716 4.550 0.028 0.000 0.273 685 Y C -1.463 174.406 175.900 -0.050 0.000 1.087 685 Y CA 0.156 58.241 58.100 -0.025 0.000 1.078 685 Y CB -1.265 37.162 38.460 -0.056 0.000 1.010 685 Y HN 0.165 nan 8.280 nan 0.000 0.478 686 P HA -0.075 nan 4.420 nan 0.000 0.250 686 P C -0.947 176.083 177.300 -0.450 0.000 1.198 686 P CA 0.679 63.360 63.100 -0.698 0.000 1.118 686 P CB -0.461 31.055 31.700 -0.307 0.000 1.208 687 R N 2.875 123.076 120.500 -0.500 0.000 2.522 687 R HA 0.091 4.448 4.340 0.029 0.000 0.284 687 R C 1.103 177.293 176.300 -0.183 0.000 1.032 687 R CA 0.155 56.098 56.100 -0.262 0.000 1.049 687 R CB 0.270 30.441 30.300 -0.215 0.000 0.956 687 R HN 0.534 nan 8.270 nan 0.000 0.422 688 Q N 3.079 122.803 119.800 -0.126 0.000 2.385 688 Q HA 0.806 5.163 4.340 0.029 0.000 0.262 688 Q C -0.685 175.265 176.000 -0.082 0.000 1.050 688 Q CA -1.231 54.512 55.803 -0.100 0.000 0.903 688 Q CB 1.766 30.454 28.738 -0.084 0.000 1.325 688 Q HN 0.558 nan 8.270 nan 0.000 0.485 689 L N -3.893 117.285 121.223 -0.076 0.000 4.768 689 L HA 0.573 4.930 4.340 0.029 0.000 0.254 689 L C -1.756 175.067 176.870 -0.078 0.000 1.073 689 L CA -0.959 53.837 54.840 -0.073 0.000 1.079 689 L CB 0.168 42.181 42.059 -0.075 0.000 1.842 689 L HN 0.745 nan 8.230 nan 0.000 0.495 690 A N 4.278 127.053 122.820 -0.075 0.000 2.366 690 A HA 0.861 5.198 4.320 0.029 0.000 0.272 690 A C -1.713 175.809 177.584 -0.103 0.000 1.135 690 A CA -1.119 50.871 52.037 -0.078 0.000 0.804 690 A CB -0.148 18.814 19.000 -0.064 0.000 1.064 690 A HN 0.696 nan 8.150 nan 0.000 0.499 691 P HA 0.006 nan 4.420 nan 0.000 0.266 691 P C 0.570 177.754 177.300 -0.194 0.000 1.193 691 P CA -0.223 62.788 63.100 -0.147 0.000 0.770 691 P CB 0.408 32.036 31.700 -0.120 0.000 0.836 692 L N 1.248 122.284 121.223 -0.312 0.000 2.283 692 L HA -0.233 4.124 4.340 0.029 0.000 0.217 692 L C 2.171 178.801 176.870 -0.400 0.000 1.104 692 L CA 2.358 56.895 54.840 -0.505 0.000 0.772 692 L CB -1.174 40.261 42.059 -1.040 0.000 0.899 692 L HN 0.912 nan 8.230 nan 0.000 0.439 693 G N -0.676 107.989 108.800 -0.224 0.000 2.336 693 G HA2 -0.386 3.592 3.960 0.029 0.000 0.233 693 G HA3 -0.386 3.592 3.960 0.029 0.000 0.233 693 G C 0.668 175.595 174.900 0.045 0.000 1.053 693 G CA 0.369 45.432 45.100 -0.061 0.000 0.625 693 G HN 0.454 nan 8.290 nan 0.000 0.511 694 F N 1.189 121.163 119.950 0.039 0.000 2.684 694 F HA 0.642 5.186 4.527 0.029 0.000 0.298 694 F C 0.033 175.881 175.800 0.079 0.000 1.120 694 F CA -1.111 56.935 58.000 0.077 0.000 1.332 694 F CB 0.216 39.312 39.000 0.161 0.000 0.986 694 F HN 0.001 nan 8.300 nan 0.000 0.524 695 D N 1.709 122.107 120.400 -0.004 0.000 2.564 695 D HA 0.111 4.768 4.640 0.029 0.000 0.226 695 D C 1.305 177.731 176.300 0.210 0.000 1.149 695 D CA -0.114 53.920 54.000 0.056 0.000 0.994 695 D CB 0.196 40.925 40.800 -0.119 0.000 1.029 695 D HN 0.093 nan 8.370 nan 0.000 0.517 696 L N 2.647 124.072 121.223 0.337 0.000 2.077 696 L HA -0.307 4.050 4.340 0.029 0.000 0.231 696 L C 2.526 179.595 176.870 0.332 0.000 1.100 696 L CA 1.970 56.989 54.840 0.299 0.000 0.819 696 L CB -1.224 41.002 42.059 0.278 0.000 0.913 696 L HN 0.507 nan 8.230 nan 0.000 0.446 697 M N -0.772 119.108 119.600 0.468 0.000 2.192 697 M HA -0.305 4.192 4.480 0.029 0.000 0.256 697 M C 2.248 178.610 176.300 0.104 0.000 1.076 697 M CA 2.295 57.755 55.300 0.268 0.000 1.075 697 M CB -0.160 32.592 32.600 0.254 0.000 1.368 697 M HN 0.527 nan 8.290 nan 0.000 0.406 698 S N -0.573 115.173 115.700 0.077 0.000 2.461 698 S HA -0.120 4.368 4.470 0.029 0.000 0.228 698 S C 1.575 176.187 174.600 0.021 0.000 1.005 698 S CA 0.825 59.031 58.200 0.008 0.000 0.942 698 S CB -0.452 62.733 63.200 -0.026 0.000 0.776 698 S HN 0.747 nan 8.310 nan 0.000 0.514 699 Q N 0.674 120.507 119.800 0.056 0.000 2.204 699 Q HA 0.220 4.577 4.340 0.029 0.000 0.198 699 Q C 0.688 176.718 176.000 0.049 0.000 0.946 699 Q CA 0.687 56.517 55.803 0.046 0.000 0.859 699 Q CB -0.198 28.573 28.738 0.055 0.000 0.946 699 Q HN 0.416 nan 8.270 nan 0.000 0.474 700 K N 2.019 122.466 120.400 0.079 0.000 2.533 700 K HA 0.308 4.645 4.320 0.029 0.000 0.207 700 K C -2.609 174.019 176.600 0.046 0.000 1.052 700 K CA -2.172 54.160 56.287 0.075 0.000 1.030 700 K CB 1.120 33.697 32.500 0.130 0.000 1.522 700 K HN -0.095 nan 8.250 nan 0.000 0.543 701 P HA 0.105 nan 4.420 nan 0.000 0.271 701 P C -1.033 176.247 177.300 -0.033 0.000 1.244 701 P CA -0.303 62.783 63.100 -0.024 0.000 0.793 701 P CB 0.665 32.347 31.700 -0.030 0.000 0.984 702 K N 0.066 120.435 120.400 -0.052 0.000 2.579 702 K HA 0.291 4.628 4.320 0.029 0.000 0.284 702 K C 0.898 177.461 176.600 -0.061 0.000 0.990 702 K CA -0.862 55.391 56.287 -0.057 0.000 0.880 702 K CB 1.409 33.873 32.500 -0.061 0.000 1.488 702 K HN 0.045 nan 8.250 nan 0.000 0.425 703 R N 0.191 120.645 120.500 -0.076 0.000 2.119 703 R HA -0.161 4.197 4.340 0.029 0.000 0.246 703 R C 1.761 178.045 176.300 -0.026 0.000 1.146 703 R CA 2.301 58.349 56.100 -0.086 0.000 0.962 703 R CB -0.819 29.426 30.300 -0.092 0.000 0.863 703 R HN 0.942 nan 8.270 nan 0.000 0.442 704 G N 1.231 110.037 108.800 0.011 0.000 2.421 704 G HA2 -0.139 3.839 3.960 0.029 0.000 0.217 704 G HA3 -0.139 3.839 3.960 0.029 0.000 0.217 704 G C 0.078 175.052 174.900 0.124 0.000 1.143 704 G CA -0.008 45.140 45.100 0.079 0.000 0.784 704 G HN 0.253 nan 8.290 nan 0.000 0.541 705 D N 0.266 120.682 120.400 0.028 0.000 2.461 705 D HA 0.151 4.808 4.640 0.029 0.000 0.231 705 D C 0.743 176.946 176.300 -0.161 0.000 1.208 705 D CA 0.827 54.736 54.000 -0.153 0.000 0.879 705 D CB 0.494 41.205 40.800 -0.148 0.000 1.220 705 D HN 0.102 nan 8.370 nan 0.000 0.480 706 R N -0.212 120.130 120.500 -0.263 0.000 2.668 706 R HA 0.611 4.969 4.340 0.029 0.000 0.272 706 R C -0.912 175.284 176.300 -0.174 0.000 1.019 706 R CA -0.760 55.232 56.100 -0.181 0.000 0.894 706 R CB 2.139 32.342 30.300 -0.163 0.000 1.228 706 R HN 0.589 nan 8.270 nan 0.000 0.460 707 S N -0.046 115.585 115.700 -0.114 0.000 2.570 707 S HA 0.306 4.793 4.470 0.029 0.000 0.270 707 S C 0.516 175.072 174.600 -0.073 0.000 1.149 707 S CA -0.926 57.214 58.200 -0.101 0.000 0.837 707 S CB 2.653 65.799 63.200 -0.089 0.000 1.124 707 S HN 0.795 nan 8.310 nan 0.000 0.465 708 R N 1.088 121.542 120.500 -0.077 0.000 2.083 708 R HA -0.106 4.251 4.340 0.029 0.000 0.237 708 R C 2.363 178.623 176.300 -0.067 0.000 1.137 708 R CA 1.968 58.026 56.100 -0.071 0.000 0.951 708 R CB -0.538 29.710 30.300 -0.087 0.000 0.851 708 R HN 0.754 nan 8.270 nan 0.000 0.434 709 R N 0.901 121.358 120.500 -0.071 0.000 2.143 709 R HA -0.219 4.139 4.340 0.029 0.000 0.239 709 R C 1.555 177.843 176.300 -0.020 0.000 1.126 709 R CA 2.663 58.725 56.100 -0.063 0.000 0.927 709 R CB -0.817 29.454 30.300 -0.049 0.000 0.860 709 R HN 0.344 nan 8.270 nan 0.000 0.433 710 D N -0.175 120.225 120.400 0.000 0.000 2.104 710 D HA -0.133 4.524 4.640 0.029 0.000 0.194 710 D C 1.598 177.951 176.300 0.088 0.000 0.994 710 D CA 1.791 55.819 54.000 0.047 0.000 0.830 710 D CB -0.526 40.282 40.800 0.014 0.000 0.959 710 D HN 0.376 nan 8.370 nan 0.000 0.452 711 D N 0.116 120.544 120.400 0.048 0.000 2.092 711 D HA -0.130 4.527 4.640 0.029 0.000 0.193 711 D C 1.591 177.975 176.300 0.140 0.000 0.994 711 D CA 1.088 55.140 54.000 0.086 0.000 0.828 711 D CB -0.261 40.557 40.800 0.031 0.000 0.963 711 D HN 0.125 nan 8.370 nan 0.000 0.450 712 D N -0.303 120.137 120.400 0.067 0.000 2.084 712 D HA -0.055 4.603 4.640 0.029 0.000 0.194 712 D C 2.132 178.555 176.300 0.205 0.000 0.990 712 D CA 0.784 54.838 54.000 0.090 0.000 0.826 712 D CB -0.016 40.659 40.800 -0.210 0.000 0.971 712 D HN 0.086 nan 8.370 nan 0.000 0.453 713 R N -0.781 119.788 120.500 0.115 0.000 2.105 713 R HA -0.175 4.182 4.340 0.029 0.000 0.239 713 R C 2.054 178.461 176.300 0.178 0.000 1.135 713 R CA 0.986 57.134 56.100 0.080 0.000 0.967 713 R CB -0.404 29.943 30.300 0.078 0.000 0.861 713 R HN 0.321 nan 8.270 nan 0.000 0.442 714 Y N 0.813 121.201 120.300 0.146 0.000 2.561 714 Y HA 0.025 4.592 4.550 0.029 0.000 0.291 714 Y C 1.685 177.682 175.900 0.162 0.000 1.141 714 Y CA 0.602 58.821 58.100 0.198 0.000 1.303 714 Y CB 0.162 38.738 38.460 0.193 0.000 1.015 714 Y HN -0.018 nan 8.280 nan 0.000 0.547 715 L N -1.676 119.663 121.223 0.193 0.000 2.068 715 L HA -0.145 4.212 4.340 0.029 0.000 0.204 715 L C 2.100 178.972 176.870 0.003 0.000 1.076 715 L CA 1.090 55.996 54.840 0.111 0.000 0.753 715 L CB -0.574 41.606 42.059 0.202 0.000 0.910 715 L HN 0.230 nan 8.230 nan 0.000 0.439 716 F N 0.039 119.884 119.950 -0.175 0.000 2.202 716 F HA -0.290 4.254 4.527 0.028 0.000 0.301 716 F C 2.267 177.872 175.800 -0.325 0.000 1.082 716 F CA 1.304 59.072 58.000 -0.387 0.000 1.313 716 F CB 0.106 38.739 39.000 -0.612 0.000 1.024 716 F HN -0.026 nan 8.300 nan 0.000 0.495 717 L N 0.142 121.318 121.223 -0.078 0.000 2.109 717 L HA -0.130 4.227 4.340 0.029 0.000 0.207 717 L C 1.931 178.727 176.870 -0.122 0.000 1.086 717 L CA 1.691 56.588 54.840 0.095 0.000 0.760 717 L CB -0.660 41.536 42.059 0.227 0.000 0.910 717 L HN 0.226 nan 8.230 nan 0.000 0.437 718 E N 0.079 120.139 120.200 -0.233 0.000 2.204 718 E HA -0.158 4.209 4.350 0.029 0.000 0.194 718 E C 2.092 178.605 176.600 -0.146 0.000 0.989 718 E CA 0.911 57.191 56.400 -0.201 0.000 0.824 718 E CB 0.062 29.665 29.700 -0.161 0.000 0.756 718 E HN 0.609 nan 8.360 nan 0.000 0.477 719 A N 1.645 124.349 122.820 -0.194 0.000 1.832 719 A HA -0.167 4.170 4.320 0.029 0.000 0.214 719 A C 2.179 179.655 177.584 -0.180 0.000 1.200 719 A CA 0.977 52.886 52.037 -0.215 0.000 0.610 719 A CB -0.772 18.008 19.000 -0.368 0.000 0.842 719 A HN 0.222 nan 8.150 nan 0.000 0.444 720 L N -0.026 121.068 121.223 -0.215 0.000 2.051 720 L HA -0.208 4.149 4.340 0.029 0.000 0.214 720 L C 2.166 179.007 176.870 -0.048 0.000 1.076 720 L CA 1.826 56.602 54.840 -0.107 0.000 0.758 720 L CB -0.465 41.593 42.059 -0.002 0.000 0.890 720 L HN 0.396 nan 8.230 nan 0.000 0.433 721 I N -1.214 119.322 120.570 -0.058 0.000 2.226 721 I HA -0.220 3.967 4.170 0.029 0.000 0.245 721 I C 2.365 178.452 176.117 -0.050 0.000 1.100 721 I CA 1.404 62.671 61.300 -0.054 0.000 1.374 721 I CB -1.292 36.660 38.000 -0.081 0.000 1.057 721 I HN 0.257 nan 8.210 nan 0.000 0.413 722 S N 0.550 116.216 115.700 -0.057 0.000 2.496 722 S HA 0.161 4.648 4.470 0.029 0.000 0.224 722 S C 1.209 175.810 174.600 0.001 0.000 0.996 722 S CA 0.142 58.321 58.200 -0.036 0.000 0.927 722 S CB -0.174 63.013 63.200 -0.022 0.000 0.774 722 S HN 0.426 nan 8.310 nan 0.000 0.524 723 A N 1.958 124.775 122.820 -0.006 0.000 2.475 723 A HA 0.192 4.530 4.320 0.029 0.000 0.293 723 A C 1.105 178.717 177.584 0.048 0.000 1.252 723 A CA -0.280 51.767 52.037 0.016 0.000 0.920 723 A CB 0.051 19.039 19.000 -0.020 0.000 1.125 723 A HN 0.401 nan 8.150 nan 0.000 0.528 724 Q N 1.090 120.927 119.800 0.061 0.000 2.137 724 Q HA -0.155 4.202 4.340 0.029 0.000 0.198 724 Q C 1.512 177.611 176.000 0.166 0.000 0.960 724 Q CA 1.583 57.441 55.803 0.091 0.000 0.847 724 Q CB 0.145 28.914 28.738 0.051 0.000 0.915 724 Q HN 0.904 nan 8.270 nan 0.000 0.448 725 Q N -0.705 119.149 119.800 0.090 0.000 2.619 725 Q HA 0.134 4.491 4.340 0.029 0.000 0.230 725 Q C -0.424 175.572 176.000 -0.008 0.000 0.871 725 Q CA 0.686 56.517 55.803 0.048 0.000 0.934 725 Q CB 1.097 29.853 28.738 0.029 0.000 1.183 725 Q HN -0.149 nan 8.270 nan 0.000 0.631 726 K N 0.544 120.945 120.400 0.002 0.000 2.443 726 K HA 0.389 4.726 4.320 0.029 0.000 0.252 726 K C -1.551 175.045 176.600 -0.006 0.000 0.933 726 K CA -0.811 55.472 56.287 -0.007 0.000 0.792 726 K CB 2.176 34.677 32.500 0.003 0.000 1.185 726 K HN 0.065 nan 8.250 nan 0.000 0.425 727 L N 3.400 124.607 121.223 -0.026 0.000 2.298 727 L HA 0.386 4.743 4.340 0.029 0.000 0.284 727 L C -1.388 175.450 176.870 -0.054 0.000 1.013 727 L CA -0.620 54.182 54.840 -0.063 0.000 0.824 727 L CB 0.665 42.655 42.059 -0.115 0.000 1.221 727 L HN 0.538 nan 8.230 nan 0.000 0.418 728 Y N 5.858 126.065 120.300 -0.155 0.000 2.331 728 Y HA 0.671 5.238 4.550 0.028 0.000 0.338 728 Y C -0.762 175.046 175.900 -0.153 0.000 0.976 728 Y CA -0.543 57.490 58.100 -0.112 0.000 1.137 728 Y CB 1.010 39.420 38.460 -0.083 0.000 1.172 728 Y HN 0.547 nan 8.280 nan 0.000 0.478 729 I N 5.520 125.812 120.570 -0.462 0.000 2.418 729 I HA 0.366 4.553 4.170 0.029 0.000 0.287 729 I C -0.706 175.276 176.117 -0.225 0.000 1.008 729 I CA -0.519 60.578 61.300 -0.338 0.000 1.104 729 I CB 1.755 39.445 38.000 -0.517 0.000 1.264 729 I HN 0.542 nan 8.210 nan 0.000 0.438 730 S N 6.201 121.894 115.700 -0.011 0.000 2.549 730 S HA 0.787 5.274 4.470 0.029 0.000 0.280 730 S C -1.361 173.376 174.600 0.228 0.000 1.109 730 S CA -0.429 57.820 58.200 0.083 0.000 0.905 730 S CB 1.395 64.641 63.200 0.077 0.000 1.081 730 S HN 0.515 nan 8.310 nan 0.000 0.477 731 Y N 0.963 121.315 120.300 0.087 0.000 2.655 731 Y HA 0.739 5.307 4.550 0.030 0.000 0.336 731 Y C -1.277 174.673 175.900 0.084 0.000 1.154 731 Y CA -1.431 56.726 58.100 0.095 0.000 1.055 731 Y CB 0.608 39.122 38.460 0.091 0.000 1.295 731 Y HN 0.508 nan 8.280 nan 0.000 0.465 732 I N 2.029 122.722 120.570 0.205 0.000 2.371 732 I HA 0.335 4.522 4.170 0.029 0.000 0.290 732 I C 0.995 177.140 176.117 0.047 0.000 1.028 732 I CA -0.043 61.294 61.300 0.062 0.000 1.345 732 I CB 1.531 39.599 38.000 0.113 0.000 1.407 732 I HN 1.055 nan 8.210 nan 0.000 0.501 733 G N 6.524 115.232 108.800 -0.152 0.000 3.042 733 G HA2 0.184 4.161 3.960 0.029 0.000 0.212 733 G HA3 0.184 4.161 3.960 0.029 0.000 0.212 733 G C 0.310 175.127 174.900 -0.138 0.000 1.166 733 G CA -0.140 44.869 45.100 -0.151 0.000 0.767 733 G HN 0.711 nan 8.290 nan 0.000 0.546 734 R N -0.852 119.583 120.500 -0.108 0.000 3.964 734 R HA 0.225 4.582 4.340 0.029 0.000 0.244 734 R C -1.100 175.191 176.300 -0.015 0.000 1.004 734 R CA -0.579 55.482 56.100 -0.065 0.000 1.148 734 R CB -0.450 29.785 30.300 -0.108 0.000 1.234 734 R HN 0.126 nan 8.270 nan 0.000 0.567 735 S N 1.891 117.603 115.700 0.020 0.000 2.505 735 S HA 0.255 4.743 4.470 0.029 0.000 0.276 735 S C 0.927 175.552 174.600 0.042 0.000 1.274 735 S CA -0.852 57.369 58.200 0.035 0.000 1.053 735 S CB 0.163 63.386 63.200 0.039 0.000 0.919 735 S HN 0.512 nan 8.310 nan 0.000 0.490 736 I N 1.992 122.590 120.570 0.047 0.000 3.264 736 I HA 0.008 4.195 4.170 0.029 0.000 0.310 736 I C 1.156 177.290 176.117 0.028 0.000 1.072 736 I CA 0.388 61.715 61.300 0.045 0.000 1.422 736 I CB -2.176 35.838 38.000 0.023 0.000 1.068 736 I HN 0.872 nan 8.210 nan 0.000 0.635 737 Q N 0.597 120.415 119.800 0.030 0.000 1.749 737 Q HA 0.113 4.470 4.340 0.029 0.000 0.148 737 Q C 0.679 176.694 176.000 0.025 0.000 0.429 737 Q CA 0.031 55.848 55.803 0.024 0.000 0.698 737 Q CB -0.476 28.276 28.738 0.023 0.000 0.863 737 Q HN 0.280 nan 8.270 nan 0.000 0.272 738 D N 0.388 120.804 120.400 0.026 0.000 2.392 738 D HA -0.081 4.577 4.640 0.029 0.000 0.228 738 D C 0.271 176.587 176.300 0.027 0.000 1.003 738 D CA 0.893 54.908 54.000 0.025 0.000 0.917 738 D CB -0.287 40.529 40.800 0.027 0.000 0.890 738 D HN 0.569 nan 8.370 nan 0.000 0.532 739 N N -0.622 118.096 118.700 0.029 0.000 2.732 739 N HA -0.287 4.470 4.740 0.029 0.000 0.250 739 N C -0.511 175.011 175.510 0.019 0.000 1.097 739 N CA 0.997 54.064 53.050 0.028 0.000 0.812 739 N CB -1.380 37.125 38.487 0.029 0.000 1.148 739 N HN 0.471 nan 8.380 nan 0.000 0.572 740 S N -0.515 115.201 115.700 0.026 0.000 2.576 740 S HA 0.061 4.548 4.470 0.029 0.000 0.272 740 S C 0.216 174.828 174.600 0.020 0.000 1.352 740 S CA -0.330 57.890 58.200 0.032 0.000 1.021 740 S CB 1.314 64.544 63.200 0.050 0.000 0.887 740 S HN 0.347 nan 8.310 nan 0.000 0.542 741 E N 1.182 121.390 120.200 0.014 0.000 2.331 741 E HA 0.262 4.629 4.350 0.029 0.000 0.272 741 E C -0.206 176.396 176.600 0.004 0.000 1.036 741 E CA -0.787 55.582 56.400 -0.052 0.000 0.864 741 E CB 0.533 30.149 29.700 -0.139 0.000 1.035 741 E HN 0.542 nan 8.360 nan 0.000 0.408 742 R N 2.411 122.884 120.500 -0.045 0.000 2.893 742 R HA 0.528 4.885 4.340 0.029 0.000 0.245 742 R C -0.755 175.516 176.300 -0.047 0.000 1.192 742 R CA -0.659 55.510 56.100 0.115 0.000 1.077 742 R CB 0.597 30.975 30.300 0.130 0.000 1.253 742 R HN 0.490 nan 8.270 nan 0.000 0.505 743 F N 0.851 120.840 119.950 0.065 0.000 2.588 743 F HA 0.430 4.975 4.527 0.030 0.000 0.314 743 F C -1.834 173.872 175.800 -0.156 0.000 1.069 743 F CA -2.044 55.953 58.000 -0.005 0.000 0.931 743 F CB 2.459 41.439 39.000 -0.033 0.000 1.260 743 F HN 0.236 nan 8.300 nan 0.000 0.465 744 P HA 0.021 nan 4.420 nan 0.000 0.275 744 P C -0.428 176.713 177.300 -0.265 0.000 1.228 744 P CA -0.168 62.456 63.100 -0.793 0.000 0.786 744 P CB 1.513 32.425 31.700 -1.312 0.000 0.927 745 S N 1.905 117.491 115.700 -0.190 0.000 2.575 745 S HA -0.018 4.469 4.470 0.029 0.000 0.295 745 S C 1.775 176.290 174.600 -0.142 0.000 1.267 745 S CA -0.495 57.639 58.200 -0.110 0.000 1.074 745 S CB -0.306 62.851 63.200 -0.072 0.000 0.829 745 S HN 0.278 nan 8.310 nan 0.000 0.497 746 V N 6.842 126.697 119.914 -0.099 0.000 2.311 746 V HA -0.280 3.857 4.120 0.029 0.000 0.256 746 V C 2.233 178.277 176.094 -0.084 0.000 1.077 746 V CA 2.513 64.773 62.300 -0.065 0.000 1.067 746 V CB -0.692 31.105 31.823 -0.043 0.000 0.659 746 V HN 0.890 nan 8.190 nan 0.000 0.451 747 L N -1.106 119.961 121.223 -0.261 0.000 2.013 747 L HA -0.226 4.132 4.340 0.029 0.000 0.212 747 L C 2.428 179.137 176.870 -0.269 0.000 1.073 747 L CA 1.704 56.229 54.840 -0.525 0.000 0.753 747 L CB -0.652 40.522 42.059 -1.476 0.000 0.890 747 L HN 0.235 nan 8.230 nan 0.000 0.432 748 V N -0.642 119.148 119.914 -0.208 0.000 2.515 748 V HA -0.289 3.848 4.120 0.029 0.000 0.250 748 V C 2.408 178.637 176.094 0.226 0.000 1.058 748 V CA 1.691 64.113 62.300 0.204 0.000 1.064 748 V CB -0.275 31.645 31.823 0.161 0.000 0.675 748 V HN 0.459 nan 8.190 nan 0.000 0.461 749 Q N 0.528 120.379 119.800 0.086 0.000 2.079 749 Q HA -0.195 4.162 4.340 0.029 0.000 0.200 749 Q C 2.061 178.151 176.000 0.150 0.000 0.974 749 Q CA 1.831 57.682 55.803 0.080 0.000 0.840 749 Q CB -0.267 28.496 28.738 0.041 0.000 0.898 749 Q HN 0.687 nan 8.270 nan 0.000 0.430 750 E N -0.643 119.689 120.200 0.220 0.000 2.338 750 E HA -0.146 4.221 4.350 0.029 0.000 0.197 750 E C 1.470 178.281 176.600 0.351 0.000 1.007 750 E CA 0.498 57.067 56.400 0.281 0.000 0.849 750 E CB 0.039 29.977 29.700 0.397 0.000 0.774 750 E HN 0.253 nan 8.360 nan 0.000 0.506 751 L N 0.681 122.178 121.223 0.457 0.000 2.121 751 L HA -0.050 4.307 4.340 0.029 0.000 0.200 751 L C 1.990 179.064 176.870 0.340 0.000 1.077 751 L CA 1.175 56.319 54.840 0.506 0.000 0.766 751 L CB -0.300 42.177 42.059 0.698 0.000 0.931 751 L HN 0.055 nan 8.230 nan 0.000 0.452 752 I N -1.679 118.987 120.570 0.160 0.000 2.361 752 I HA -0.165 4.022 4.170 0.029 0.000 0.251 752 I C 1.852 177.963 176.117 -0.010 0.000 1.133 752 I CA 1.301 62.522 61.300 -0.132 0.000 1.413 752 I CB -1.445 36.225 38.000 -0.549 0.000 1.073 752 I HN 0.142 nan 8.210 nan 0.000 0.424 753 D N 0.029 120.470 120.400 0.069 0.000 2.144 753 D HA -0.222 4.435 4.640 0.029 0.000 0.199 753 D C 2.018 178.405 176.300 0.145 0.000 0.984 753 D CA 1.409 55.462 54.000 0.088 0.000 0.834 753 D CB -0.375 40.488 40.800 0.105 0.000 0.955 753 D HN 0.522 nan 8.370 nan 0.000 0.465 754 Y N 0.948 121.282 120.300 0.056 0.000 2.263 754 Y HA -0.080 4.487 4.550 0.029 0.000 0.292 754 Y C 1.930 177.887 175.900 0.095 0.000 1.130 754 Y CA 0.729 58.861 58.100 0.054 0.000 1.179 754 Y CB -0.146 38.334 38.460 0.034 0.000 0.998 754 Y HN -0.120 nan 8.280 nan 0.000 0.532 755 I N 0.053 120.654 120.570 0.052 0.000 2.113 755 I HA -0.242 3.945 4.170 0.029 0.000 0.238 755 I C 2.691 178.837 176.117 0.048 0.000 1.070 755 I CA 1.759 63.081 61.300 0.037 0.000 1.332 755 I CB -1.924 36.092 38.000 0.025 0.000 1.044 755 I HN 0.339 nan 8.210 nan 0.000 0.402 756 G N 0.322 109.128 108.800 0.010 0.000 2.450 756 G HA2 -0.256 3.721 3.960 0.029 0.000 0.220 756 G HA3 -0.256 3.721 3.960 0.029 0.000 0.220 756 G C 1.496 176.405 174.900 0.014 0.000 1.130 756 G CA 0.381 45.489 45.100 0.014 0.000 0.760 756 G HN 0.523 nan 8.290 nan 0.000 0.557 757 Q N -0.013 119.783 119.800 -0.006 0.000 2.472 757 Q HA 0.069 4.427 4.340 0.029 0.000 0.208 757 Q C 1.658 177.607 176.000 -0.086 0.000 0.958 757 Q CA 0.928 56.724 55.803 -0.013 0.000 0.932 757 Q CB 0.271 29.031 28.738 0.038 0.000 1.007 757 Q HN 0.584 nan 8.270 nan 0.000 0.508 758 S N -0.858 114.737 115.700 -0.175 0.000 3.021 758 S HA 0.207 4.694 4.470 0.029 0.000 0.252 758 S C -0.352 173.948 174.600 -0.501 0.000 0.996 758 S CA -0.719 57.285 58.200 -0.328 0.000 1.084 758 S CB 0.327 63.196 63.200 -0.552 0.000 1.021 758 S HN 0.163 nan 8.310 nan 0.000 0.566 759 H N 0.502 119.542 119.070 -0.050 0.000 3.017 759 H HA 0.486 5.059 4.556 0.029 0.000 0.346 759 H C -1.724 173.647 175.328 0.072 0.000 1.286 759 H CA -0.572 55.462 56.048 -0.022 0.000 1.120 759 H CB 2.009 31.712 29.762 -0.097 0.000 1.860 759 H HN 0.475 nan 8.280 nan 0.000 0.542 760 Y N -0.562 119.767 120.300 0.048 0.000 2.480 760 Y HA 0.440 5.008 4.550 0.029 0.000 0.329 760 Y C -1.757 174.117 175.900 -0.044 0.000 1.127 760 Y CA -1.044 57.044 58.100 -0.021 0.000 1.037 760 Y CB 0.587 39.020 38.460 -0.045 0.000 1.320 760 Y HN 0.401 nan 8.280 nan 0.000 0.446 761 L N 5.878 127.033 121.223 -0.114 0.000 2.467 761 L HA 0.212 4.569 4.340 0.029 0.000 0.270 761 L C -1.091 175.696 176.870 -0.139 0.000 1.205 761 L CA -1.660 53.049 54.840 -0.218 0.000 0.828 761 L CB 0.813 42.754 42.059 -0.197 0.000 1.101 761 L HN 0.589 nan 8.230 nan 0.000 0.479 762 P HA -0.220 nan 4.420 nan 0.000 0.216 762 P C 1.318 178.647 177.300 0.049 0.000 1.157 762 P CA 1.941 65.006 63.100 -0.058 0.000 0.880 762 P CB 0.057 31.710 31.700 -0.078 0.000 0.791 763 G N 1.888 110.693 108.800 0.009 0.000 2.639 763 G HA2 -0.210 3.767 3.960 0.029 0.000 0.216 763 G HA3 -0.210 3.767 3.960 0.029 0.000 0.216 763 G C 0.395 175.325 174.900 0.050 0.000 1.267 763 G CA 0.986 46.098 45.100 0.020 0.000 0.801 763 G HN 0.366 nan 8.290 nan 0.000 0.592 764 D N 1.120 121.553 120.400 0.055 0.000 2.429 764 D HA 0.092 4.749 4.640 0.029 0.000 0.253 764 D C 0.281 176.635 176.300 0.089 0.000 1.294 764 D CA 0.272 54.303 54.000 0.052 0.000 1.063 764 D CB 1.033 41.853 40.800 0.034 0.000 1.096 764 D HN 0.461 nan 8.370 nan 0.000 0.516 765 E N 0.469 120.671 120.200 0.003 0.000 2.413 765 E HA 0.169 4.536 4.350 0.029 0.000 0.203 765 E C 0.348 176.824 176.600 -0.208 0.000 0.957 765 E CA -0.001 56.305 56.400 -0.156 0.000 0.950 765 E CB 0.783 30.434 29.700 -0.080 0.000 0.957 765 E HN 0.498 nan 8.360 nan 0.000 0.497 766 A N 1.362 124.106 122.820 -0.126 0.000 3.030 766 A HA 0.452 4.790 4.320 0.029 0.000 0.335 766 A C 0.230 177.745 177.584 -0.115 0.000 1.089 766 A CA -0.421 51.539 52.037 -0.129 0.000 0.807 766 A CB -0.318 18.625 19.000 -0.095 0.000 1.099 766 A HN 0.246 nan 8.150 nan 0.000 0.474 767 L N -1.942 119.194 121.223 -0.145 0.000 2.437 767 L HA 0.673 5.031 4.340 0.029 0.000 0.188 767 L C 0.029 176.769 176.870 -0.217 0.000 1.123 767 L CA -0.156 54.602 54.840 -0.137 0.000 0.981 767 L CB 0.311 42.315 42.059 -0.092 0.000 1.935 767 L HN 0.409 nan 8.230 nan 0.000 0.494 768 N N -2.460 116.084 118.700 -0.261 0.000 4.409 768 N HA 0.218 4.975 4.740 0.029 0.000 0.208 768 N C -0.200 175.117 175.510 -0.322 0.000 1.233 768 N CA -0.089 52.700 53.050 -0.435 0.000 0.881 768 N CB 0.786 39.051 38.487 -0.370 0.000 1.507 768 N HN 0.249 nan 8.380 nan 0.000 0.511 769 C N 0.205 119.270 119.300 -0.392 0.000 2.496 769 C HA -0.053 4.424 4.460 0.029 0.000 0.281 769 C C 1.712 176.688 174.990 -0.023 0.000 1.250 769 C CA 1.211 60.159 59.018 -0.116 0.000 1.717 769 C CB -0.880 26.895 27.740 0.060 0.000 2.082 769 C HN 0.777 nan 8.230 nan 0.000 0.472 770 D N 0.674 121.103 120.400 0.048 0.000 2.123 770 D HA -0.135 4.523 4.640 0.029 0.000 0.196 770 D C 1.993 178.306 176.300 0.022 0.000 0.992 770 D CA 1.306 55.349 54.000 0.072 0.000 0.833 770 D CB -0.665 40.219 40.800 0.139 0.000 0.954 770 D HN 0.643 nan 8.370 nan 0.000 0.455 771 E N 0.407 120.598 120.200 -0.015 0.000 2.106 771 E HA -0.112 4.255 4.350 0.029 0.000 0.192 771 E C 2.204 178.792 176.600 -0.021 0.000 0.984 771 E CA 1.289 57.676 56.400 -0.022 0.000 0.806 771 E CB -0.053 29.619 29.700 -0.047 0.000 0.750 771 E HN 0.293 nan 8.360 nan 0.000 0.458 772 S N 0.888 116.569 115.700 -0.033 0.000 2.387 772 S HA -0.192 4.295 4.470 0.029 0.000 0.226 772 S C 2.050 176.660 174.600 0.017 0.000 1.026 772 S CA 1.085 59.284 58.200 -0.001 0.000 0.972 772 S CB -0.084 63.116 63.200 -0.000 0.000 0.814 772 S HN 0.285 nan 8.310 nan 0.000 0.477 773 E N 2.051 122.258 120.200 0.012 0.000 2.023 773 E HA -0.183 4.184 4.350 0.029 0.000 0.196 773 E C 2.238 178.842 176.600 0.005 0.000 1.003 773 E CA 1.211 57.620 56.400 0.016 0.000 0.809 773 E CB -0.678 29.035 29.700 0.022 0.000 0.755 773 E HN 0.592 nan 8.360 nan 0.000 0.449 774 A N 1.889 124.712 122.820 0.005 0.000 1.870 774 A HA -0.301 4.037 4.320 0.029 0.000 0.219 774 A C 2.210 179.792 177.584 -0.003 0.000 1.224 774 A CA 2.456 54.492 52.037 -0.001 0.000 0.650 774 A CB -0.968 18.035 19.000 0.005 0.000 0.836 774 A HN 0.367 nan 8.150 nan 0.000 0.454 775 R N -0.834 119.668 120.500 0.002 0.000 2.154 775 R HA -0.144 4.213 4.340 0.029 0.000 0.248 775 R C 1.952 178.262 176.300 0.016 0.000 1.155 775 R CA 1.533 57.638 56.100 0.008 0.000 0.979 775 R CB -0.848 29.452 30.300 -0.001 0.000 0.869 775 R HN 0.452 nan 8.270 nan 0.000 0.452 776 V N 1.322 121.236 119.914 -0.000 0.000 2.255 776 V HA -0.200 3.937 4.120 0.029 0.000 0.243 776 V C 2.244 178.335 176.094 -0.006 0.000 1.038 776 V CA 1.598 63.894 62.300 -0.007 0.000 1.008 776 V CB -0.409 31.407 31.823 -0.011 0.000 0.645 776 V HN 0.258 nan 8.190 nan 0.000 0.449 777 K N 0.412 120.781 120.400 -0.052 0.000 2.044 777 K HA -0.200 4.137 4.320 0.029 0.000 0.210 777 K C 2.278 178.816 176.600 -0.103 0.000 1.049 777 K CA 1.672 57.882 56.287 -0.128 0.000 0.927 777 K CB -0.505 31.922 32.500 -0.122 0.000 0.713 777 K HN 0.462 nan 8.250 nan 0.000 0.443 778 A N 1.189 123.982 122.820 -0.045 0.000 1.972 778 A HA -0.226 4.111 4.320 0.029 0.000 0.219 778 A C 2.051 179.624 177.584 -0.019 0.000 1.169 778 A CA 1.549 53.564 52.037 -0.036 0.000 0.635 778 A CB -0.763 18.229 19.000 -0.014 0.000 0.810 778 A HN 0.416 nan 8.150 nan 0.000 0.446 779 H N -0.564 118.460 119.070 -0.078 0.000 2.395 779 H HA -0.031 4.542 4.556 0.029 0.000 0.299 779 H C 1.505 176.790 175.328 -0.071 0.000 1.070 779 H CA 1.506 57.513 56.048 -0.068 0.000 1.356 779 H CB 0.055 29.780 29.762 -0.061 0.000 1.401 779 H HN 0.311 nan 8.280 nan 0.000 0.524 780 L N 0.972 122.176 121.223 -0.032 0.000 2.270 780 L HA 0.030 4.387 4.340 0.029 0.000 0.210 780 L C 0.973 177.803 176.870 -0.067 0.000 1.104 780 L CA 0.726 55.544 54.840 -0.036 0.000 0.804 780 L CB -1.113 40.997 42.059 0.085 0.000 0.937 780 L HN 0.076 nan 8.230 nan 0.000 0.450 781 T N 0.305 114.789 114.554 -0.116 0.000 2.851 781 T HA 0.118 4.485 4.350 0.029 0.000 0.298 781 T C 0.028 174.619 174.700 -0.181 0.000 0.977 781 T CA -0.049 61.984 62.100 -0.112 0.000 1.126 781 T CB 0.995 69.798 68.868 -0.108 0.000 0.916 781 T HN 0.298 nan 8.240 nan 0.000 0.529 782 C N 7.339 126.490 119.300 -0.249 0.000 2.386 782 C HA 0.502 4.980 4.460 0.029 0.000 0.318 782 C C -0.105 174.653 174.990 -0.387 0.000 1.128 782 C CA -1.097 57.730 59.018 -0.318 0.000 1.438 782 C CB -1.559 25.968 27.740 -0.354 0.000 1.987 782 C HN 0.879 nan 8.230 nan 0.000 0.426 783 L N 7.906 128.958 121.223 -0.285 0.000 2.485 783 L HA 0.275 4.632 4.340 0.029 0.000 0.279 783 L C 0.887 177.623 176.870 -0.223 0.000 1.124 783 L CA 0.271 54.975 54.840 -0.227 0.000 0.888 783 L CB -0.281 41.694 42.059 -0.140 0.000 1.217 783 L HN 0.668 nan 8.230 nan 0.000 0.464 784 H N 1.560 120.622 119.070 -0.014 0.000 2.597 784 H HA 0.228 4.801 4.556 0.028 0.000 0.370 784 H C 0.368 175.762 175.328 0.110 0.000 1.281 784 H CA -0.174 55.894 56.048 0.033 0.000 1.422 784 H CB 1.261 31.042 29.762 0.033 0.000 1.524 784 H HN 0.541 nan 8.280 nan 0.000 0.607 785 T N -1.979 112.687 114.554 0.186 0.000 2.899 785 T HA 0.230 4.597 4.350 0.029 0.000 0.284 785 T C 1.397 175.930 174.700 -0.279 0.000 1.004 785 T CA -0.929 61.166 62.100 -0.009 0.000 1.043 785 T CB 1.922 70.737 68.868 -0.088 0.000 1.013 785 T HN 0.589 nan 8.240 nan 0.000 0.518 786 R N 0.371 120.435 120.500 -0.727 0.000 2.062 786 R HA 0.039 4.396 4.340 0.029 0.000 0.231 786 R C 0.531 176.490 176.300 -0.568 0.000 1.136 786 R CA 0.960 56.481 56.100 -0.966 0.000 0.948 786 R CB 0.003 29.805 30.300 -0.830 0.000 0.845 786 R HN 0.552 nan 8.270 nan 0.000 0.430 787 M N 0.680 119.918 119.600 -0.603 0.000 2.472 787 M HA 0.253 4.751 4.480 0.029 0.000 0.331 787 M C -1.816 174.019 176.300 -0.775 0.000 1.170 787 M CA -2.993 51.806 55.300 -0.834 0.000 1.009 787 M CB 1.173 32.926 32.600 -1.412 0.000 1.672 787 M HN -0.045 nan 8.290 nan 0.000 0.453 788 P HA -0.060 nan 4.420 nan 0.000 0.225 788 P C 0.767 177.764 177.300 -0.505 0.000 1.156 788 P CA 1.199 63.921 63.100 -0.629 0.000 0.787 788 P CB -0.155 31.091 31.700 -0.757 0.000 0.802 789 F N -1.059 118.545 119.950 -0.576 0.000 2.664 789 F HA 0.382 4.928 4.527 0.031 0.000 0.301 789 F C 0.250 175.985 175.800 -0.108 0.000 1.126 789 F CA -1.757 56.078 58.000 -0.274 0.000 1.373 789 F CB -1.227 37.624 39.000 -0.248 0.000 1.042 789 F HN -0.249 nan 8.300 nan 0.000 0.535 790 D N 4.158 124.482 120.400 -0.127 0.000 2.383 790 D HA 0.039 4.697 4.640 0.029 0.000 0.252 790 D C -1.353 175.040 176.300 0.154 0.000 1.166 790 D CA -1.866 52.126 54.000 -0.014 0.000 0.879 790 D CB 1.704 42.428 40.800 -0.127 0.000 1.164 790 D HN 0.024 nan 8.370 nan 0.000 0.462 791 P HA -0.204 nan 4.420 nan 0.000 0.217 791 P C 1.111 178.533 177.300 0.203 0.000 1.148 791 P CA 1.149 64.359 63.100 0.183 0.000 0.828 791 P CB 0.318 32.080 31.700 0.102 0.000 0.783 792 Q N -0.125 119.747 119.800 0.120 0.000 2.248 792 Q HA -0.172 4.186 4.340 0.029 0.000 0.208 792 Q C 1.696 177.739 176.000 0.072 0.000 0.984 792 Q CA 1.363 57.212 55.803 0.076 0.000 0.875 792 Q CB -0.783 27.978 28.738 0.037 0.000 0.910 792 Q HN 0.504 nan 8.270 nan 0.000 0.433 793 N N -0.962 117.804 118.700 0.110 0.000 2.521 793 N HA -0.089 4.669 4.740 0.029 0.000 0.188 793 N C -0.042 175.257 175.510 -0.352 0.000 1.146 793 N CA 0.422 53.433 53.050 -0.065 0.000 0.893 793 N CB 0.302 38.760 38.487 -0.048 0.000 0.975 793 N HN 0.224 nan 8.380 nan 0.000 0.451 794 Y N -0.192 120.128 120.300 0.033 0.000 2.675 794 Y HA 0.301 4.870 4.550 0.032 0.000 0.248 794 Y C 0.612 176.521 175.900 0.014 0.000 1.161 794 Y CA -0.532 57.584 58.100 0.028 0.000 1.203 794 Y CB 0.152 38.639 38.460 0.046 0.000 1.262 794 Y HN -0.040 nan 8.280 nan 0.000 0.544 795 Q N 1.689 121.545 119.800 0.092 0.000 2.315 795 Q HA 0.334 4.691 4.340 0.029 0.000 0.166 795 Q C -2.318 173.693 176.000 0.019 0.000 1.056 795 Q CA -1.807 54.030 55.803 0.058 0.000 1.061 795 Q CB 0.087 28.852 28.738 0.044 0.000 1.981 795 Q HN -0.031 nan 8.270 nan 0.000 0.530 796 P HA 0.420 nan 4.420 nan 0.000 0.301 796 P C -0.616 176.680 177.300 -0.007 0.000 1.350 796 P CA 0.028 63.126 63.100 -0.005 0.000 0.941 796 P CB 2.124 33.824 31.700 0.000 0.000 1.128 797 G N 2.109 110.901 108.800 -0.012 0.000 2.254 797 G HA2 -0.138 3.839 3.960 0.029 0.000 0.193 797 G HA3 -0.138 3.839 3.960 0.029 0.000 0.193 797 G C -0.772 174.128 174.900 -0.000 0.000 1.233 797 G CA -0.548 44.548 45.100 -0.006 0.000 1.290 797 G HN 0.642 nan 8.290 nan 0.000 0.517 798 E N 1.652 121.850 120.200 -0.002 0.000 2.341 798 E HA 0.311 4.678 4.350 0.029 0.000 0.256 798 E C 0.803 177.424 176.600 0.035 0.000 1.125 798 E CA 0.131 56.537 56.400 0.009 0.000 0.939 798 E CB -0.070 29.617 29.700 -0.022 0.000 0.991 798 E HN 0.558 nan 8.360 nan 0.000 0.458 799 R N 3.808 124.347 120.500 0.066 0.000 2.974 799 R HA -0.219 4.138 4.340 0.029 0.000 0.258 799 R C -0.970 175.344 176.300 0.024 0.000 0.892 799 R CA 0.420 56.575 56.100 0.092 0.000 0.664 799 R CB -0.738 29.654 30.300 0.154 0.000 1.478 799 R HN 0.711 nan 8.270 nan 0.000 0.498 800 Q N 1.103 120.886 119.800 -0.028 0.000 2.304 800 Q HA 0.129 4.486 4.340 0.029 0.000 0.260 800 Q C 0.404 176.291 176.000 -0.188 0.000 0.965 800 Q CA 0.064 55.774 55.803 -0.155 0.000 0.898 800 Q CB 1.532 30.166 28.738 -0.173 0.000 1.196 800 Q HN 0.392 nan 8.270 nan 0.000 0.402 801 S N 1.562 117.041 115.700 -0.369 0.000 2.566 801 S HA -0.040 4.447 4.470 0.029 0.000 0.280 801 S C -0.105 174.423 174.600 -0.119 0.000 1.343 801 S CA 0.051 58.112 58.200 -0.233 0.000 1.036 801 S CB 0.308 63.250 63.200 -0.430 0.000 0.866 801 S HN 0.535 nan 8.310 nan 0.000 0.526 802 Y N 1.671 121.944 120.300 -0.045 0.000 2.571 802 Y HA 0.427 4.994 4.550 0.028 0.000 0.275 802 Y C 0.974 176.917 175.900 0.072 0.000 1.179 802 Y CA 0.042 58.151 58.100 0.015 0.000 1.242 802 Y CB -0.014 38.455 38.460 0.015 0.000 1.126 802 Y HN 0.683 nan 8.280 nan 0.000 0.524 803 A N 0.343 123.306 122.820 0.238 0.000 2.690 803 A HA 0.355 4.692 4.320 0.029 0.000 0.342 803 A C 1.099 178.886 177.584 0.338 0.000 1.410 803 A CA -0.584 51.614 52.037 0.268 0.000 0.958 803 A CB 0.068 19.275 19.000 0.346 0.000 1.153 803 A HN 0.434 nan 8.150 nan 0.000 0.497 804 R N 1.262 121.883 120.500 0.203 0.000 2.152 804 R HA -0.191 4.167 4.340 0.029 0.000 0.232 804 R C 1.553 177.889 176.300 0.058 0.000 1.117 804 R CA 1.686 57.882 56.100 0.160 0.000 0.981 804 R CB -0.122 30.223 30.300 0.074 0.000 0.870 804 R HN 0.948 nan 8.270 nan 0.000 0.451 805 E N 0.174 120.357 120.200 -0.028 0.000 2.136 805 E HA -0.264 4.103 4.350 0.029 0.000 0.208 805 E C 1.477 177.900 176.600 -0.295 0.000 1.035 805 E CA 1.786 58.045 56.400 -0.235 0.000 0.838 805 E CB -0.591 28.862 29.700 -0.412 0.000 0.748 805 E HN 0.527 nan 8.360 nan 0.000 0.459 806 W N 1.126 122.441 121.300 0.025 0.000 2.658 806 W HA 0.220 4.894 4.660 0.023 0.000 0.263 806 W C 2.226 178.578 176.519 -0.279 0.000 1.274 806 W CA -0.352 56.963 57.345 -0.050 0.000 1.343 806 W CB -0.172 29.338 29.460 0.083 0.000 1.106 806 W HN 0.006 nan 8.180 nan 0.000 0.615 807 L N 1.755 122.858 121.223 -0.199 0.000 2.030 807 L HA -0.297 4.060 4.340 0.029 0.000 0.222 807 L C -0.032 176.720 176.870 -0.197 0.000 1.082 807 L CA 2.100 56.720 54.840 -0.367 0.000 0.785 807 L CB -1.704 40.286 42.059 -0.115 0.000 0.895 807 L HN -0.109 nan 8.230 nan 0.000 0.439 808 P HA -0.222 nan 4.420 nan 0.000 0.215 808 P C 1.193 178.445 177.300 -0.079 0.000 1.157 808 P CA 2.377 65.430 63.100 -0.079 0.000 0.874 808 P CB -0.126 31.532 31.700 -0.070 0.000 0.790 809 A N 0.189 122.969 122.820 -0.068 0.000 2.014 809 A HA 0.095 4.432 4.320 0.029 0.000 0.218 809 A C 2.478 180.016 177.584 -0.077 0.000 1.163 809 A CA 1.617 53.598 52.037 -0.093 0.000 0.652 809 A CB -1.366 17.568 19.000 -0.111 0.000 0.808 809 A HN 0.240 nan 8.150 nan 0.000 0.449 810 A N 0.246 123.023 122.820 -0.072 0.000 2.015 810 A HA -0.000 4.337 4.320 0.029 0.000 0.219 810 A C 2.032 179.589 177.584 -0.045 0.000 1.163 810 A CA 1.770 53.768 52.037 -0.065 0.000 0.646 810 A CB -0.544 18.258 19.000 -0.330 0.000 0.806 810 A HN 0.847 nan 8.150 nan 0.000 0.448 811 S N -0.955 114.705 115.700 -0.066 0.000 2.582 811 S HA 0.268 4.755 4.470 0.029 0.000 0.234 811 S C 0.257 174.837 174.600 -0.035 0.000 0.961 811 S CA 0.156 58.333 58.200 -0.038 0.000 0.953 811 S CB -0.193 62.984 63.200 -0.039 0.000 0.800 811 S HN 0.572 nan 8.310 nan 0.000 0.471 812 Q N 0.028 119.801 119.800 -0.045 0.000 2.435 812 Q HA -0.241 4.116 4.340 0.029 0.000 0.286 812 Q C 0.565 176.536 176.000 -0.049 0.000 1.229 812 Q CA 0.615 56.388 55.803 -0.050 0.000 0.884 812 Q CB -2.152 26.567 28.738 -0.032 0.000 1.245 812 Q HN 0.832 nan 8.270 nan 0.000 0.488 813 A N 0.210 122.998 122.820 -0.053 0.000 2.734 813 A HA 0.481 4.818 4.320 0.029 0.000 0.279 813 A C 0.935 178.486 177.584 -0.054 0.000 1.386 813 A CA 0.377 52.386 52.037 -0.046 0.000 0.987 813 A CB 0.044 19.019 19.000 -0.042 0.000 1.041 813 A HN 0.456 nan 8.150 nan 0.000 0.569 814 G N 0.195 108.956 108.800 -0.066 0.000 2.547 814 G HA2 0.498 4.476 3.960 0.029 0.000 0.291 814 G HA3 0.498 4.476 3.960 0.029 0.000 0.291 814 G C -0.118 174.743 174.900 -0.065 0.000 1.211 814 G CA -0.707 44.347 45.100 -0.077 0.000 0.950 814 G HN 0.468 nan 8.290 nan 0.000 0.504 815 K N 0.241 120.599 120.400 -0.071 0.000 2.626 815 K HA 0.599 4.936 4.320 0.029 0.000 0.223 815 K C -0.149 176.407 176.600 -0.074 0.000 0.992 815 K CA -0.531 55.726 56.287 -0.049 0.000 1.024 815 K CB 1.347 33.833 32.500 -0.024 0.000 1.225 815 K HN 0.596 nan 8.250 nan 0.000 0.498 816 A N 3.735 126.507 122.820 -0.079 0.000 2.608 816 A HA -0.065 4.272 4.320 0.029 0.000 0.239 816 A C 0.057 177.624 177.584 -0.028 0.000 1.018 816 A CA 0.296 52.272 52.037 -0.101 0.000 0.766 816 A CB -0.443 18.534 19.000 -0.039 0.000 0.928 816 A HN 0.711 nan 8.150 nan 0.000 0.512 817 H N 1.724 120.817 119.070 0.038 0.000 3.173 817 H HA 0.049 4.618 4.556 0.022 0.000 0.311 817 H C 1.094 176.466 175.328 0.072 0.000 0.972 817 H CA 1.202 57.286 56.048 0.060 0.000 1.384 817 H CB 0.119 29.923 29.762 0.071 0.000 1.349 817 H HN 0.769 nan 8.280 nan 0.000 0.582 818 S N 2.191 118.018 115.700 0.212 0.000 2.545 818 S HA 0.097 4.584 4.470 0.029 0.000 0.275 818 S C 0.289 174.988 174.600 0.164 0.000 1.299 818 S CA -1.110 57.178 58.200 0.146 0.000 1.048 818 S CB 1.537 64.800 63.200 0.105 0.000 0.938 818 S HN 0.597 nan 8.310 nan 0.000 0.496 819 E N 2.273 122.557 120.200 0.140 0.000 3.250 819 E HA -0.176 4.191 4.350 0.029 0.000 0.244 819 E C 0.197 176.899 176.600 0.169 0.000 0.931 819 E CA 0.004 56.498 56.400 0.157 0.000 0.954 819 E CB -0.594 29.171 29.700 0.107 0.000 0.894 819 E HN 0.666 nan 8.360 nan 0.000 0.560 820 F N 4.930 124.936 119.950 0.093 0.000 2.115 820 F HA -0.183 4.360 4.527 0.028 0.000 0.300 820 F C 1.049 176.892 175.800 0.071 0.000 1.092 820 F CA 1.689 59.744 58.000 0.092 0.000 1.245 820 F CB -0.054 39.022 39.000 0.126 0.000 0.995 820 F HN 0.407 nan 8.300 nan 0.000 0.481 821 V N 3.724 123.601 119.914 -0.063 0.000 2.405 821 V HA 0.257 4.394 4.120 0.029 0.000 0.264 821 V C -0.873 175.125 176.094 -0.161 0.000 1.048 821 V CA -0.347 61.825 62.300 -0.214 0.000 0.966 821 V CB 0.451 32.234 31.823 -0.068 0.000 1.015 821 V HN 0.227 nan 8.190 nan 0.000 0.477 822 Q N 8.320 127.996 119.800 -0.207 0.000 2.347 822 Q HA 0.434 4.791 4.340 0.029 0.000 0.265 822 Q C -2.579 173.369 176.000 -0.086 0.000 1.024 822 Q CA -1.820 53.915 55.803 -0.113 0.000 0.731 822 Q CB 1.855 30.531 28.738 -0.104 0.000 1.245 822 Q HN 0.700 nan 8.270 nan 0.000 0.472 823 P HA -0.055 nan 4.420 nan 0.000 0.261 823 P C -0.632 176.670 177.300 0.003 0.000 1.165 823 P CA 0.459 63.543 63.100 -0.027 0.000 0.759 823 P CB 0.702 32.393 31.700 -0.014 0.000 0.772 824 L N 5.898 127.145 121.223 0.041 0.000 2.298 824 L HA 0.364 4.721 4.340 0.029 0.000 0.284 824 L C -1.804 175.116 176.870 0.083 0.000 1.013 824 L CA -2.571 52.299 54.840 0.050 0.000 0.824 824 L CB 1.678 43.768 42.059 0.052 0.000 1.221 824 L HN 0.243 nan 8.230 nan 0.000 0.418 825 P HA -0.090 nan 4.420 nan 0.000 0.261 825 P C -1.069 176.325 177.300 0.157 0.000 1.173 825 P CA 0.349 63.501 63.100 0.086 0.000 0.760 825 P CB 0.496 32.221 31.700 0.040 0.000 0.783 826 F N 3.235 123.179 119.950 -0.009 0.000 2.529 826 F HA 0.400 4.945 4.527 0.030 0.000 0.320 826 F C -0.416 175.383 175.800 -0.002 0.000 1.118 826 F CA -0.529 57.463 58.000 -0.012 0.000 0.915 826 F CB 1.761 40.749 39.000 -0.019 0.000 1.161 826 F HN 0.202 nan 8.300 nan 0.000 0.445 827 T N 5.182 119.255 114.554 -0.801 0.000 2.853 827 T HA 0.353 4.720 4.350 0.029 0.000 0.317 827 T C -0.422 173.704 174.700 -0.958 0.000 1.059 827 T CA -0.631 61.084 62.100 -0.642 0.000 0.954 827 T CB 0.589 69.248 68.868 -0.349 0.000 0.994 827 T HN 0.633 nan 8.240 nan 0.000 0.479 828 L N 7.201 128.026 121.223 -0.662 0.000 2.698 828 L HA 0.218 4.575 4.340 0.029 0.000 0.272 828 L C -1.085 175.662 176.870 -0.204 0.000 1.154 828 L CA -1.053 53.589 54.840 -0.330 0.000 0.964 828 L CB -0.312 41.732 42.059 -0.025 0.000 1.272 828 L HN 0.474 nan 8.230 nan 0.000 0.483 829 P HA 0.065 nan 4.420 nan 0.000 0.309 829 P C -1.081 176.178 177.300 -0.068 0.000 1.423 829 P CA 0.062 63.099 63.100 -0.104 0.000 0.814 829 P CB 0.427 32.086 31.700 -0.069 0.000 1.900 830 E N -1.530 118.636 120.200 -0.057 0.000 2.506 830 E HA 0.359 4.727 4.350 0.029 0.000 0.308 830 E C -1.460 175.110 176.600 -0.050 0.000 0.931 830 E CA -0.417 55.952 56.400 -0.051 0.000 0.800 830 E CB 1.289 30.963 29.700 -0.043 0.000 1.292 830 E HN 0.682 nan 8.360 nan 0.000 0.401 831 T N -1.595 112.925 114.554 -0.057 0.000 2.676 831 T HA -0.105 4.263 4.350 0.029 0.000 0.495 831 T C -0.626 174.031 174.700 -0.072 0.000 0.810 831 T CA 0.051 62.117 62.100 -0.056 0.000 2.623 831 T CB -2.296 66.546 68.868 -0.043 0.000 1.737 831 T HN 0.695 nan 8.240 nan 0.000 0.599 832 V N 0.658 120.512 119.914 -0.099 0.000 2.326 832 V HA 0.800 4.937 4.120 0.029 0.000 0.281 832 V C -2.309 173.727 176.094 -0.096 0.000 1.015 832 V CA -2.588 59.631 62.300 -0.134 0.000 0.823 832 V CB 1.216 32.868 31.823 -0.285 0.000 1.009 832 V HN 0.636 nan 8.190 nan 0.000 0.436 833 P HA -0.057 nan 4.420 nan 0.000 0.263 833 P C 1.126 178.409 177.300 -0.028 0.000 1.168 833 P CA 0.159 63.232 63.100 -0.044 0.000 0.759 833 P CB 0.543 32.219 31.700 -0.039 0.000 0.782 834 L N 4.610 125.830 121.223 -0.006 0.000 2.051 834 L HA -0.238 4.119 4.340 0.029 0.000 0.214 834 L C 2.032 178.925 176.870 0.038 0.000 1.076 834 L CA 2.198 57.049 54.840 0.018 0.000 0.758 834 L CB -1.040 41.045 42.059 0.045 0.000 0.890 834 L HN 0.518 nan 8.230 nan 0.000 0.433 835 E N -0.671 119.549 120.200 0.033 0.000 2.114 835 E HA -0.290 4.077 4.350 0.029 0.000 0.199 835 E C 1.797 178.443 176.600 0.076 0.000 1.008 835 E CA 2.129 58.558 56.400 0.049 0.000 0.810 835 E CB -1.111 28.605 29.700 0.027 0.000 0.739 835 E HN 0.659 nan 8.360 nan 0.000 0.456 836 T N -0.670 113.921 114.554 0.061 0.000 2.977 836 T HA -0.036 4.331 4.350 0.029 0.000 0.271 836 T C 2.035 176.851 174.700 0.193 0.000 1.105 836 T CA 0.702 62.871 62.100 0.114 0.000 1.116 836 T CB -0.226 68.687 68.868 0.075 0.000 0.878 836 T HN 0.125 nan 8.240 nan 0.000 0.509 837 L N -0.244 121.068 121.223 0.147 0.000 2.249 837 L HA 0.111 4.468 4.340 0.029 0.000 0.207 837 L C 3.068 180.193 176.870 0.425 0.000 1.090 837 L CA 0.725 55.736 54.840 0.284 0.000 0.802 837 L CB -0.324 41.838 42.059 0.171 0.000 0.947 837 L HN 0.326 nan 8.230 nan 0.000 0.453 838 Q N 0.369 120.322 119.800 0.254 0.000 2.049 838 Q HA -0.179 4.179 4.340 0.029 0.000 0.198 838 Q C 2.111 178.242 176.000 0.219 0.000 0.971 838 Q CA 1.432 57.368 55.803 0.222 0.000 0.833 838 Q CB -0.115 28.698 28.738 0.125 0.000 0.896 838 Q HN 0.531 nan 8.270 nan 0.000 0.434 839 R N -0.248 120.354 120.500 0.170 0.000 2.235 839 R HA -0.043 4.314 4.340 0.029 0.000 0.213 839 R C 1.843 178.194 176.300 0.086 0.000 1.059 839 R CA 0.837 57.000 56.100 0.105 0.000 0.997 839 R CB -0.428 29.909 30.300 0.062 0.000 0.884 839 R HN 0.161 nan 8.270 nan 0.000 0.462 840 F N 1.113 121.085 119.950 0.037 0.000 2.098 840 F HA 0.054 4.599 4.527 0.029 0.000 0.294 840 F C 0.641 176.321 175.800 -0.200 0.000 1.107 840 F CA 0.328 58.256 58.000 -0.120 0.000 1.234 840 F CB -0.122 38.808 39.000 -0.117 0.000 1.002 840 F HN -0.097 nan 8.300 nan 0.000 0.472 841 W N -0.321 120.970 121.300 -0.015 0.000 1.671 841 W HA 0.408 5.086 4.660 0.030 0.000 0.407 841 W C 1.304 177.777 176.519 -0.076 0.000 1.867 841 W CA 0.385 57.667 57.345 -0.105 0.000 2.059 841 W CB -0.642 28.865 29.460 0.077 0.000 1.469 841 W HN 0.172 nan 8.180 nan 0.000 0.776 842 A N 0.824 123.795 122.820 0.251 0.000 2.872 842 A HA -0.296 4.042 4.320 0.029 0.000 0.273 842 A C -0.068 177.596 177.584 0.133 0.000 1.442 842 A CA 1.747 53.872 52.037 0.147 0.000 0.801 842 A CB -2.389 16.683 19.000 0.119 0.000 1.031 842 A HN 1.243 nan 8.150 nan 0.000 0.582 843 H N -3.532 115.501 119.070 -0.062 0.000 5.855 843 H HA -0.025 4.548 4.556 0.027 0.000 0.810 843 H C -2.308 172.766 175.328 -0.422 0.000 1.878 843 H CA -0.157 55.794 56.048 -0.161 0.000 1.453 843 H CB -0.169 29.491 29.762 -0.170 0.000 4.162 843 H HN 0.246 nan 8.280 nan 0.000 0.672 844 P HA -0.068 nan 4.420 nan 0.000 0.216 844 P C 1.551 178.583 177.300 -0.446 0.000 1.154 844 P CA 1.009 63.578 63.100 -0.883 0.000 0.857 844 P CB 0.411 31.486 31.700 -1.041 0.000 0.787 845 V N 2.269 122.120 119.914 -0.105 0.000 2.250 845 V HA -0.288 3.849 4.120 0.029 0.000 0.250 845 V C 3.131 179.164 176.094 -0.101 0.000 1.060 845 V CA 2.649 64.954 62.300 0.009 0.000 1.030 845 V CB -1.360 30.491 31.823 0.046 0.000 0.643 845 V HN 0.155 nan 8.190 nan 0.000 0.445 846 R N 0.811 120.892 120.500 -0.698 0.000 2.113 846 R HA -0.251 4.106 4.340 0.029 0.000 0.244 846 R C 2.240 178.127 176.300 -0.688 0.000 1.142 846 R CA 2.262 57.599 56.100 -1.272 0.000 0.953 846 R CB -0.682 28.328 30.300 -2.151 0.000 0.860 846 R HN 0.449 nan 8.270 nan 0.000 0.438 847 A N 0.568 123.070 122.820 -0.530 0.000 1.948 847 A HA -0.216 4.121 4.320 0.029 0.000 0.220 847 A C 2.052 179.547 177.584 -0.149 0.000 1.177 847 A CA 1.536 53.384 52.037 -0.316 0.000 0.636 847 A CB -0.882 17.916 19.000 -0.335 0.000 0.815 847 A HN 0.644 nan 8.150 nan 0.000 0.449 848 F N -1.030 118.802 119.950 -0.197 0.000 2.234 848 F HA -0.024 4.520 4.527 0.029 0.000 0.299 848 F C 1.693 177.383 175.800 -0.184 0.000 1.087 848 F CA 1.256 59.147 58.000 -0.181 0.000 1.340 848 F CB -0.141 38.760 39.000 -0.165 0.000 1.031 848 F HN 0.194 nan 8.300 nan 0.000 0.500 849 F N 0.651 120.539 119.950 -0.104 0.000 2.118 849 F HA -0.064 4.479 4.527 0.026 0.000 0.293 849 F C 2.570 178.267 175.800 -0.172 0.000 1.102 849 F CA 1.522 59.488 58.000 -0.056 0.000 1.247 849 F CB -0.876 38.261 39.000 0.227 0.000 1.017 849 F HN -0.118 nan 8.300 nan 0.000 0.475 850 Q N -0.639 119.116 119.800 -0.074 0.000 2.123 850 Q HA -0.133 4.225 4.340 0.029 0.000 0.199 850 Q C 2.144 178.065 176.000 -0.132 0.000 0.966 850 Q CA 1.335 57.066 55.803 -0.119 0.000 0.845 850 Q CB -0.056 28.547 28.738 -0.226 0.000 0.907 850 Q HN 0.449 nan 8.270 nan 0.000 0.439 851 M N -0.708 118.787 119.600 -0.174 0.000 2.257 851 M HA -0.043 4.454 4.480 0.029 0.000 0.260 851 M C 2.203 178.375 176.300 -0.212 0.000 1.102 851 M CA 0.926 56.133 55.300 -0.155 0.000 1.169 851 M CB -0.025 32.494 32.600 -0.135 0.000 1.323 851 M HN -0.058 nan 8.290 nan 0.000 0.447 852 R N 1.539 121.817 120.500 -0.370 0.000 2.096 852 R HA -0.084 4.274 4.340 0.029 0.000 0.235 852 R C 0.571 176.641 176.300 -0.383 0.000 1.127 852 R CA 1.453 57.281 56.100 -0.453 0.000 0.968 852 R CB -0.461 29.338 30.300 -0.835 0.000 0.861 852 R HN 0.407 nan 8.270 nan 0.000 0.440 853 L N -0.929 120.061 121.223 -0.389 0.000 3.186 853 L HA 0.438 4.795 4.340 0.029 0.000 0.317 853 L C -0.634 176.154 176.870 -0.136 0.000 1.296 853 L CA -0.461 54.231 54.840 -0.247 0.000 0.870 853 L CB 0.072 41.964 42.059 -0.279 0.000 1.302 853 L HN -0.012 nan 8.230 nan 0.000 0.590 854 Q N -0.074 119.657 119.800 -0.115 0.000 2.349 854 Q HA -0.173 4.184 4.340 0.029 0.000 0.340 854 Q C -0.332 175.636 176.000 -0.054 0.000 1.268 854 Q CA 0.667 56.428 55.803 -0.071 0.000 1.017 854 Q CB -1.386 27.315 28.738 -0.061 0.000 1.258 854 Q HN 0.496 nan 8.270 nan 0.000 0.438 855 V N 1.953 121.860 119.914 -0.012 0.000 2.294 855 V HA 0.220 4.357 4.120 0.029 0.000 0.272 855 V C 0.164 176.304 176.094 0.077 0.000 1.027 855 V CA -0.599 61.679 62.300 -0.036 0.000 0.823 855 V CB 1.160 33.040 31.823 0.096 0.000 1.030 855 V HN 0.320 nan 8.190 nan 0.000 0.457 856 N N 5.094 123.783 118.700 -0.019 0.000 2.626 856 N HA 0.333 5.090 4.740 0.029 0.000 0.249 856 N C -0.685 174.835 175.510 0.017 0.000 1.021 856 N CA -0.435 52.737 53.050 0.203 0.000 0.886 856 N CB 1.347 39.916 38.487 0.137 0.000 1.149 856 N HN 0.465 nan 8.380 nan 0.000 0.517 857 F N 1.582 121.513 119.950 -0.032 0.000 2.626 857 F HA 0.085 4.631 4.527 0.031 0.000 0.368 857 F C 1.352 177.062 175.800 -0.151 0.000 1.227 857 F CA -0.334 57.553 58.000 -0.188 0.000 1.302 857 F CB -0.596 38.153 39.000 -0.418 0.000 1.733 857 F HN 0.046 nan 8.300 nan 0.000 0.672 858 R N 0.766 121.295 120.500 0.048 0.000 2.583 858 R HA 0.149 4.506 4.340 0.029 0.000 0.274 858 R C 0.239 176.546 176.300 0.012 0.000 0.998 858 R CA 0.422 56.546 56.100 0.040 0.000 1.081 858 R CB -0.064 30.250 30.300 0.023 0.000 0.940 858 R HN 0.366 nan 8.270 nan 0.000 0.413 859 T N 0.114 114.672 114.554 0.006 0.000 2.991 859 T HA 0.365 4.732 4.350 0.029 0.000 0.347 859 T C -0.582 174.117 174.700 -0.002 0.000 1.122 859 T CA -0.932 61.161 62.100 -0.012 0.000 1.062 859 T CB 0.935 69.780 68.868 -0.039 0.000 1.043 859 T HN 0.677 nan 8.240 nan 0.000 0.491 860 E N 1.953 122.152 120.200 -0.003 0.000 2.307 860 E HA 0.383 4.750 4.350 0.029 0.000 0.280 860 E C -1.239 175.357 176.600 -0.006 0.000 0.900 860 E CA -0.468 55.932 56.400 0.000 0.000 0.790 860 E CB 1.443 31.146 29.700 0.004 0.000 1.261 860 E HN 0.493 nan 8.360 nan 0.000 0.405 861 D N 2.290 122.689 120.400 -0.002 0.000 2.285 861 D HA -0.070 4.587 4.640 0.029 0.000 0.628 861 D C -0.823 175.479 176.300 0.003 0.000 0.853 861 D CA 0.867 54.865 54.000 -0.003 0.000 1.175 861 D CB 0.122 40.918 40.800 -0.006 0.000 1.489 861 D HN 0.476 nan 8.370 nan 0.000 0.376 862 S N 1.955 117.658 115.700 0.005 0.000 4.678 862 S HA -0.274 4.213 4.470 0.029 0.000 0.562 862 S C 0.379 174.985 174.600 0.010 0.000 0.956 862 S CA 0.683 58.889 58.200 0.009 0.000 1.106 862 S CB -0.533 62.679 63.200 0.019 0.000 1.970 862 S HN 0.418 nan 8.310 nan 0.000 0.358 863 E N 2.222 122.426 120.200 0.006 0.000 2.975 863 E HA -0.093 4.275 4.350 0.029 0.000 0.269 863 E C -0.190 176.415 176.600 0.008 0.000 0.905 863 E CA 0.291 56.695 56.400 0.006 0.000 0.967 863 E CB 0.192 29.895 29.700 0.004 0.000 0.925 863 E HN 0.624 nan 8.360 nan 0.000 0.507 864 I N 7.001 127.575 120.570 0.008 0.000 2.342 864 I HA 0.173 4.360 4.170 0.029 0.000 0.291 864 I C -1.940 174.180 176.117 0.004 0.000 1.010 864 I CA -2.358 58.944 61.300 0.004 0.000 1.308 864 I CB 1.077 39.079 38.000 0.003 0.000 1.400 864 I HN 0.445 nan 8.210 nan 0.000 0.488 865 P HA -0.057 nan 4.420 nan 0.000 0.255 865 P C -0.288 177.019 177.300 0.012 0.000 1.173 865 P CA 0.200 63.298 63.100 -0.003 0.000 0.780 865 P CB 0.215 31.896 31.700 -0.030 0.000 0.758 866 D N 0.927 121.342 120.400 0.025 0.000 2.368 866 D HA -0.006 4.651 4.640 0.029 0.000 0.250 866 D C 0.837 177.181 176.300 0.073 0.000 1.142 866 D CA 1.049 55.072 54.000 0.038 0.000 0.925 866 D CB -0.066 40.752 40.800 0.030 0.000 0.896 866 D HN 0.312 nan 8.370 nan 0.000 0.525 867 T N -1.667 112.928 114.554 0.069 0.000 2.700 867 T HA 0.161 4.528 4.350 0.029 0.000 0.307 867 T C -1.283 173.350 174.700 -0.112 0.000 1.580 867 T CA -0.985 61.175 62.100 0.098 0.000 0.992 867 T CB 1.122 70.104 68.868 0.191 0.000 1.577 867 T HN 0.008 nan 8.240 nan 0.000 0.496 868 E N 1.738 121.736 120.200 -0.335 0.000 2.397 868 E HA 0.373 4.741 4.350 0.029 0.000 0.254 868 E C -2.378 173.773 176.600 -0.749 0.000 1.231 868 E CA -1.610 54.328 56.400 -0.770 0.000 0.954 868 E CB 0.075 29.169 29.700 -1.010 0.000 1.024 868 E HN 0.455 nan 8.360 nan 0.000 0.481 869 P HA 0.150 nan 4.420 nan 0.000 0.292 869 P C -0.819 176.208 177.300 -0.455 0.000 1.326 869 P CA -0.204 62.632 63.100 -0.441 0.000 0.787 869 P CB 0.157 31.674 31.700 -0.304 0.000 0.903 870 F N 2.447 122.304 119.950 -0.155 0.000 2.678 870 F HA 0.282 4.826 4.527 0.028 0.000 0.291 870 F C 1.150 176.865 175.800 -0.143 0.000 1.123 870 F CA 0.243 58.156 58.000 -0.145 0.000 1.395 870 F CB 0.560 39.472 39.000 -0.146 0.000 1.121 870 F HN 0.136 nan 8.300 nan 0.000 0.592 871 I N 0.507 121.096 120.570 0.032 0.000 2.894 871 I HA 0.356 4.543 4.170 0.029 0.000 0.302 871 I C -1.101 174.912 176.117 -0.172 0.000 1.188 871 I CA -1.092 60.169 61.300 -0.065 0.000 1.014 871 I CB 2.389 40.390 38.000 0.002 0.000 1.242 871 I HN -0.217 nan 8.210 nan 0.000 0.430 872 L N 5.511 126.568 121.223 -0.276 0.000 2.305 872 L HA 0.488 4.846 4.340 0.029 0.000 0.284 872 L C -0.164 176.665 176.870 -0.068 0.000 1.013 872 L CA -0.089 54.584 54.840 -0.279 0.000 0.819 872 L CB 1.217 42.865 42.059 -0.686 0.000 1.227 872 L HN 0.626 nan 8.230 nan 0.000 0.417 873 E N 2.499 122.689 120.200 -0.017 0.000 2.454 873 E HA 0.659 5.026 4.350 0.029 0.000 0.279 873 E C 0.166 176.798 176.600 0.053 0.000 1.029 873 E CA -0.548 55.874 56.400 0.036 0.000 0.831 873 E CB 1.281 30.996 29.700 0.024 0.000 1.405 873 E HN 0.572 nan 8.360 nan 0.000 0.463 874 G N 0.855 109.693 108.800 0.064 0.000 2.582 874 G HA2 -0.378 3.599 3.960 0.029 0.000 0.300 874 G HA3 -0.378 3.599 3.960 0.029 0.000 0.300 874 G C 0.897 175.859 174.900 0.104 0.000 1.300 874 G CA 0.673 45.812 45.100 0.065 0.000 0.959 874 G HN 0.588 nan 8.290 nan 0.000 0.548 875 L N 0.091 121.371 121.223 0.093 0.000 2.064 875 L HA -0.215 4.142 4.340 0.029 0.000 0.216 875 L C 3.291 180.275 176.870 0.189 0.000 1.077 875 L CA 2.430 57.358 54.840 0.146 0.000 0.766 875 L CB -0.634 41.489 42.059 0.106 0.000 0.890 875 L HN 0.602 nan 8.230 nan 0.000 0.435 876 S N -0.516 115.252 115.700 0.114 0.000 2.349 876 S HA -0.247 4.240 4.470 0.029 0.000 0.216 876 S C 1.918 176.580 174.600 0.102 0.000 1.033 876 S CA 1.624 59.871 58.200 0.078 0.000 1.021 876 S CB -0.448 62.758 63.200 0.010 0.000 0.968 876 S HN 0.459 nan 8.310 nan 0.000 0.426 877 R N 0.311 120.880 120.500 0.114 0.000 2.133 877 R HA -0.253 4.105 4.340 0.029 0.000 0.247 877 R C 2.150 178.580 176.300 0.217 0.000 1.151 877 R CA 1.962 58.175 56.100 0.188 0.000 0.971 877 R CB -0.838 29.583 30.300 0.202 0.000 0.866 877 R HN 0.512 nan 8.270 nan 0.000 0.447 878 Y N 1.725 122.090 120.300 0.109 0.000 2.070 878 Y HA -0.210 4.357 4.550 0.030 0.000 0.279 878 Y C 2.281 178.263 175.900 0.137 0.000 1.134 878 Y CA 2.149 60.317 58.100 0.113 0.000 1.113 878 Y CB -0.606 37.912 38.460 0.095 0.000 0.981 878 Y HN 0.190 nan 8.280 nan 0.000 0.487 879 Q N -0.018 119.788 119.800 0.010 0.000 2.173 879 Q HA -0.232 4.125 4.340 0.029 0.000 0.208 879 Q C 2.350 178.387 176.000 0.063 0.000 0.989 879 Q CA 2.272 58.052 55.803 -0.038 0.000 0.872 879 Q CB -0.313 28.494 28.738 0.115 0.000 0.909 879 Q HN 0.597 nan 8.270 nan 0.000 0.420 880 I N 0.477 121.104 120.570 0.095 0.000 2.439 880 I HA -0.192 3.996 4.170 0.029 0.000 0.251 880 I C 1.489 177.770 176.117 0.275 0.000 1.139 880 I CA 0.509 61.942 61.300 0.221 0.000 1.438 880 I CB -0.132 37.903 38.000 0.059 0.000 1.085 880 I HN 0.199 nan 8.210 nan 0.000 0.427 881 N N 0.595 119.353 118.700 0.096 0.000 2.396 881 N HA -0.131 4.627 4.740 0.029 0.000 0.180 881 N C 1.760 177.273 175.510 0.005 0.000 1.028 881 N CA 0.845 53.916 53.050 0.035 0.000 0.893 881 N CB -0.056 38.457 38.487 0.043 0.000 0.967 881 N HN 0.410 nan 8.380 nan 0.000 0.440 882 Q N 0.269 120.017 119.800 -0.087 0.000 2.046 882 Q HA -0.094 4.263 4.340 0.029 0.000 0.200 882 Q C 1.777 177.822 176.000 0.075 0.000 0.975 882 Q CA 1.089 56.847 55.803 -0.075 0.000 0.836 882 Q CB -0.017 28.593 28.738 -0.214 0.000 0.896 882 Q HN 0.555 nan 8.270 nan 0.000 0.428 883 Q N 0.332 120.219 119.800 0.145 0.000 2.083 883 Q HA -0.070 4.287 4.340 0.029 0.000 0.198 883 Q C 2.257 178.344 176.000 0.145 0.000 0.969 883 Q CA 0.705 56.592 55.803 0.141 0.000 0.838 883 Q CB -0.194 28.612 28.738 0.114 0.000 0.900 883 Q HN 0.360 nan 8.270 nan 0.000 0.436 884 L N 0.968 122.309 121.223 0.197 0.000 2.042 884 L HA -0.185 4.172 4.340 0.029 0.000 0.210 884 L C 2.356 179.247 176.870 0.035 0.000 1.076 884 L CA 1.008 55.913 54.840 0.109 0.000 0.749 884 L CB -0.294 41.709 42.059 -0.093 0.000 0.893 884 L HN 0.324 nan 8.230 nan 0.000 0.432 885 L N -0.184 121.066 121.223 0.045 0.000 1.937 885 L HA -0.322 4.035 4.340 0.029 0.000 0.213 885 L C 2.196 179.100 176.870 0.057 0.000 1.077 885 L CA 2.128 56.994 54.840 0.044 0.000 0.758 885 L CB -0.527 41.606 42.059 0.123 0.000 0.888 885 L HN 0.339 nan 8.230 nan 0.000 0.433 886 N N 0.093 118.884 118.700 0.153 0.000 2.096 886 N HA -0.247 4.511 4.740 0.029 0.000 0.195 886 N C 1.629 177.186 175.510 0.079 0.000 1.017 886 N CA 1.864 55.022 53.050 0.179 0.000 0.870 886 N CB -0.362 38.250 38.487 0.208 0.000 1.024 886 N HN 0.508 nan 8.380 nan 0.000 0.434 887 A N -0.023 122.836 122.820 0.065 0.000 1.969 887 A HA -0.016 4.322 4.320 0.029 0.000 0.218 887 A C 2.067 179.658 177.584 0.013 0.000 1.169 887 A CA 0.905 52.971 52.037 0.047 0.000 0.635 887 A CB -0.424 18.623 19.000 0.077 0.000 0.810 887 A HN 0.259 nan 8.150 nan 0.000 0.445 888 L N -0.933 120.281 121.223 -0.015 0.000 2.270 888 L HA -0.024 4.333 4.340 0.029 0.000 0.210 888 L C 2.194 179.000 176.870 -0.107 0.000 1.104 888 L CA 0.312 55.118 54.840 -0.056 0.000 0.804 888 L CB -0.181 41.833 42.059 -0.076 0.000 0.937 888 L HN 0.205 nan 8.230 nan 0.000 0.450 889 V N -0.773 119.054 119.914 -0.145 0.000 2.591 889 V HA -0.106 4.032 4.120 0.029 0.000 0.249 889 V C 1.939 177.935 176.094 -0.163 0.000 1.053 889 V CA 1.161 63.304 62.300 -0.260 0.000 1.068 889 V CB -0.235 31.282 31.823 -0.510 0.000 0.689 889 V HN 0.336 nan 8.190 nan 0.000 0.462 890 E N -0.094 120.064 120.200 -0.070 0.000 2.445 890 E HA 0.023 4.390 4.350 0.029 0.000 0.189 890 E C 0.740 177.322 176.600 -0.029 0.000 1.069 890 E CA -0.096 56.288 56.400 -0.026 0.000 0.871 890 E CB -0.186 29.525 29.700 0.019 0.000 0.991 890 E HN 0.645 nan 8.360 nan 0.000 0.481 891 Q N 0.725 120.495 119.800 -0.049 0.000 2.407 891 Q HA -0.225 4.133 4.340 0.029 0.000 0.277 891 Q C 0.213 176.203 176.000 -0.016 0.000 1.161 891 Q CA 0.828 56.607 55.803 -0.039 0.000 0.924 891 Q CB -0.849 27.862 28.738 -0.044 0.000 1.318 891 Q HN 0.254 nan 8.270 nan 0.000 0.513 892 D N 0.483 120.881 120.400 -0.004 0.000 2.398 892 D HA 0.070 4.728 4.640 0.029 0.000 0.264 892 D C -0.181 176.130 176.300 0.019 0.000 1.263 892 D CA -0.251 53.755 54.000 0.009 0.000 1.037 892 D CB 0.638 41.449 40.800 0.018 0.000 1.101 892 D HN 0.032 nan 8.370 nan 0.000 0.551 893 D N -0.790 119.626 120.400 0.026 0.000 2.347 893 D HA 0.340 4.997 4.640 0.029 0.000 0.235 893 D C 0.289 176.633 176.300 0.074 0.000 1.149 893 D CA -0.373 53.649 54.000 0.037 0.000 0.850 893 D CB 1.071 41.886 40.800 0.025 0.000 1.061 893 D HN 0.289 nan 8.370 nan 0.000 0.487 894 A N 3.857 126.746 122.820 0.115 0.000 2.121 894 A HA -0.144 4.193 4.320 0.029 0.000 0.218 894 A C 1.873 179.610 177.584 0.255 0.000 1.154 894 A CA 1.051 53.233 52.037 0.243 0.000 0.679 894 A CB -0.282 18.887 19.000 0.282 0.000 0.795 894 A HN 0.569 nan 8.150 nan 0.000 0.458 895 E N 0.210 120.487 120.200 0.128 0.000 2.077 895 E HA -0.161 4.206 4.350 0.029 0.000 0.193 895 E C 2.075 178.714 176.600 0.065 0.000 0.989 895 E CA 1.239 57.680 56.400 0.068 0.000 0.800 895 E CB -0.163 29.548 29.700 0.018 0.000 0.746 895 E HN 0.449 nan 8.360 nan 0.000 0.452 896 R N 0.173 120.697 120.500 0.040 0.000 2.103 896 R HA -0.092 4.266 4.340 0.029 0.000 0.234 896 R C 2.458 178.728 176.300 -0.049 0.000 1.132 896 R CA 1.497 57.598 56.100 0.002 0.000 0.925 896 R CB -1.129 29.169 30.300 -0.003 0.000 0.842 896 R HN 0.255 nan 8.270 nan 0.000 0.430 897 L N -0.337 120.855 121.223 -0.052 0.000 1.991 897 L HA -0.304 4.054 4.340 0.029 0.000 0.221 897 L C 2.143 178.803 176.870 -0.351 0.000 1.079 897 L CA 1.956 56.683 54.840 -0.189 0.000 0.778 897 L CB -0.516 41.546 42.059 0.005 0.000 0.893 897 L HN 0.215 nan 8.230 nan 0.000 0.437 898 F N 0.689 120.274 119.950 -0.607 0.000 2.041 898 F HA -0.395 4.150 4.527 0.029 0.000 0.296 898 F C 2.726 178.250 175.800 -0.461 0.000 1.147 898 F CA 2.258 59.649 58.000 -1.016 0.000 1.214 898 F CB -0.565 37.817 39.000 -1.031 0.000 0.947 898 F HN -0.018 nan 8.300 nan 0.000 0.511 899 R N -0.042 120.322 120.500 -0.226 0.000 2.134 899 R HA -0.259 4.098 4.340 0.029 0.000 0.248 899 R C 2.367 178.527 176.300 -0.232 0.000 1.143 899 R CA 2.288 58.258 56.100 -0.216 0.000 0.957 899 R CB -0.594 29.696 30.300 -0.017 0.000 0.867 899 R HN 0.426 nan 8.270 nan 0.000 0.441 900 R N -0.303 120.087 120.500 -0.183 0.000 2.080 900 R HA -0.117 4.240 4.340 0.029 0.000 0.236 900 R C 2.307 178.580 176.300 -0.044 0.000 1.137 900 R CA 1.711 57.739 56.100 -0.121 0.000 0.943 900 R CB -0.457 29.744 30.300 -0.165 0.000 0.846 900 R HN 0.260 nan 8.270 nan 0.000 0.431 901 F N 0.629 120.445 119.950 -0.224 0.000 2.161 901 F HA -0.267 4.277 4.527 0.029 0.000 0.300 901 F C 2.956 178.621 175.800 -0.225 0.000 1.089 901 F CA 0.752 58.642 58.000 -0.185 0.000 1.282 901 F CB -0.065 38.806 39.000 -0.215 0.000 1.010 901 F HN 0.089 nan 8.300 nan 0.000 0.485 902 R N 1.029 121.391 120.500 -0.231 0.000 2.073 902 R HA -0.106 4.251 4.340 0.029 0.000 0.229 902 R C 2.205 178.428 176.300 -0.128 0.000 1.120 902 R CA 1.224 57.149 56.100 -0.292 0.000 0.967 902 R CB -0.505 29.432 30.300 -0.605 0.000 0.862 902 R HN 0.213 nan 8.270 nan 0.000 0.436 903 A N 0.545 123.316 122.820 -0.081 0.000 2.125 903 A HA -0.031 4.306 4.320 0.029 0.000 0.219 903 A C 2.107 179.792 177.584 0.169 0.000 1.156 903 A CA 1.496 53.550 52.037 0.028 0.000 0.671 903 A CB -0.370 18.640 19.000 0.016 0.000 0.794 903 A HN 0.528 nan 8.150 nan 0.000 0.459 904 A N -2.184 120.728 122.820 0.154 0.000 2.081 904 A HA 0.416 4.753 4.320 0.029 0.000 0.214 904 A C 1.900 179.642 177.584 0.264 0.000 1.158 904 A CA 1.285 53.462 52.037 0.235 0.000 0.724 904 A CB -0.522 18.599 19.000 0.202 0.000 0.826 904 A HN 1.777 nan 8.150 nan 0.000 0.463 905 G N -0.526 108.313 108.800 0.066 0.000 2.176 905 G HA2 -0.240 3.737 3.960 0.029 0.000 0.232 905 G HA3 -0.240 3.737 3.960 0.029 0.000 0.232 905 G C 0.337 175.303 174.900 0.109 0.000 0.986 905 G CA 0.616 45.654 45.100 -0.103 0.000 0.643 905 G HN 0.391 nan 8.290 nan 0.000 0.522 906 D N 0.266 120.698 120.400 0.053 0.000 2.350 906 D HA 0.130 4.788 4.640 0.029 0.000 0.216 906 D C 1.470 177.718 176.300 -0.087 0.000 0.968 906 D CA 0.727 54.713 54.000 -0.024 0.000 0.894 906 D CB 0.144 40.883 40.800 -0.102 0.000 0.909 906 D HN 0.570 nan 8.370 nan 0.000 0.520 907 L N 0.124 121.316 121.223 -0.052 0.000 2.334 907 L HA 0.429 4.786 4.340 0.029 0.000 0.270 907 L C -2.107 174.750 176.870 -0.023 0.000 1.018 907 L CA -2.281 52.543 54.840 -0.027 0.000 0.811 907 L CB 1.329 43.414 42.059 0.043 0.000 1.271 907 L HN -0.347 nan 8.230 nan 0.000 0.443 908 P HA -0.045 nan 4.420 nan 0.000 0.271 908 P C -1.070 176.313 177.300 0.138 0.000 1.244 908 P CA -0.180 62.940 63.100 0.033 0.000 0.793 908 P CB 0.272 32.031 31.700 0.099 0.000 0.984 909 Y N 1.048 121.381 120.300 0.056 0.000 2.597 909 Y HA 0.236 4.803 4.550 0.029 0.000 0.336 909 Y C 1.646 177.667 175.900 0.201 0.000 1.216 909 Y CA 1.287 59.444 58.100 0.095 0.000 1.463 909 Y CB -0.423 38.080 38.460 0.071 0.000 1.303 909 Y HN 0.738 nan 8.280 nan 0.000 0.576 910 G N 4.099 112.411 108.800 -0.815 0.000 2.730 910 G HA2 -0.463 3.515 3.960 0.029 0.000 0.531 910 G HA3 -0.463 3.515 3.960 0.029 0.000 0.531 910 G C 1.442 176.239 174.900 -0.173 0.000 1.112 910 G CA 1.929 46.681 45.100 -0.579 0.000 0.868 910 G HN 1.559 nan 8.290 nan 0.000 0.740 911 A N -1.077 121.621 122.820 -0.203 0.000 1.969 911 A HA -0.117 4.220 4.320 0.029 0.000 0.223 911 A C 2.319 179.779 177.584 -0.208 0.000 1.218 911 A CA 2.867 54.768 52.037 -0.227 0.000 0.667 911 A CB -0.651 18.127 19.000 -0.370 0.000 0.826 911 A HN 0.721 nan 8.150 nan 0.000 0.472 912 F N -0.370 119.639 119.950 0.099 0.000 2.259 912 F HA 0.071 4.616 4.527 0.029 0.000 0.298 912 F C 2.628 178.549 175.800 0.203 0.000 1.088 912 F CA 0.825 58.917 58.000 0.152 0.000 1.358 912 F CB -0.651 38.454 39.000 0.174 0.000 1.040 912 F HN 0.301 nan 8.300 nan 0.000 0.505 913 G N -0.150 108.850 108.800 0.333 0.000 2.414 913 G HA2 -0.191 3.786 3.960 0.029 0.000 0.215 913 G HA3 -0.191 3.786 3.960 0.029 0.000 0.215 913 G C 1.457 176.634 174.900 0.463 0.000 1.188 913 G CA 0.606 45.927 45.100 0.368 0.000 0.783 913 G HN 0.310 nan 8.290 nan 0.000 0.537 914 E N -0.043 120.354 120.200 0.328 0.000 2.171 914 E HA -0.130 4.238 4.350 0.029 0.000 0.197 914 E C 2.414 179.145 176.600 0.219 0.000 0.997 914 E CA 0.736 57.288 56.400 0.253 0.000 0.810 914 E CB -0.145 29.595 29.700 0.067 0.000 0.738 914 E HN 0.513 nan 8.360 nan 0.000 0.467 915 I N 0.151 120.843 120.570 0.203 0.000 2.193 915 I HA -0.218 3.969 4.170 0.029 0.000 0.240 915 I C 2.177 178.437 176.117 0.239 0.000 1.084 915 I CA 0.604 62.006 61.300 0.171 0.000 1.365 915 I CB -0.246 37.841 38.000 0.145 0.000 1.064 915 I HN 0.086 nan 8.210 nan 0.000 0.410 916 F N 1.509 121.592 119.950 0.221 0.000 2.027 916 F HA -0.342 4.202 4.527 0.029 0.000 0.297 916 F C 2.372 178.315 175.800 0.239 0.000 1.129 916 F CA 1.755 59.885 58.000 0.217 0.000 1.195 916 F CB -0.974 38.171 39.000 0.241 0.000 0.960 916 F HN 0.227 nan 8.300 nan 0.000 0.485 917 W N 1.587 122.782 121.300 -0.174 0.000 2.298 917 W HA -0.323 4.354 4.660 0.029 0.000 0.328 917 W C 2.393 178.790 176.519 -0.203 0.000 1.259 917 W CA 2.495 59.705 57.345 -0.224 0.000 1.251 917 W CB -0.949 28.658 29.460 0.245 0.000 1.161 917 W HN 0.253 nan 8.180 nan 0.000 0.466 918 E N -1.022 119.196 120.200 0.030 0.000 2.136 918 E HA -0.342 4.025 4.350 0.029 0.000 0.202 918 E C 2.102 178.596 176.600 -0.178 0.000 1.019 918 E CA 2.836 59.188 56.400 -0.079 0.000 0.819 918 E CB -0.477 29.220 29.700 -0.005 0.000 0.739 918 E HN 0.306 nan 8.360 nan 0.000 0.458 919 T N -1.035 113.420 114.554 -0.165 0.000 3.023 919 T HA -0.090 4.277 4.350 0.029 0.000 0.266 919 T C 1.712 176.267 174.700 -0.242 0.000 1.093 919 T CA 0.626 62.636 62.100 -0.150 0.000 1.129 919 T CB 0.125 68.961 68.868 -0.053 0.000 0.899 919 T HN -0.020 nan 8.240 nan 0.000 0.491 920 Q N 0.307 119.843 119.800 -0.440 0.000 2.137 920 Q HA 0.064 4.421 4.340 0.029 0.000 0.198 920 Q C 2.743 178.475 176.000 -0.448 0.000 0.960 920 Q CA 1.124 56.644 55.803 -0.472 0.000 0.847 920 Q CB -1.116 27.179 28.738 -0.739 0.000 0.915 920 Q HN 0.619 nan 8.270 nan 0.000 0.448 921 C N 1.020 119.975 119.300 -0.574 0.000 2.403 921 C HA -0.182 4.295 4.460 0.029 0.000 0.277 921 C C 2.776 177.613 174.990 -0.254 0.000 1.248 921 C CA 1.182 59.931 59.018 -0.447 0.000 1.762 921 C CB -0.898 26.595 27.740 -0.411 0.000 2.014 921 C HN 0.585 nan 8.230 nan 0.000 0.486 922 Q N 0.504 120.176 119.800 -0.212 0.000 2.124 922 Q HA -0.213 4.145 4.340 0.029 0.000 0.202 922 Q C 2.230 178.159 176.000 -0.118 0.000 0.977 922 Q CA 1.651 57.371 55.803 -0.138 0.000 0.850 922 Q CB -0.174 28.498 28.738 -0.110 0.000 0.901 922 Q HN 0.757 nan 8.270 nan 0.000 0.429 923 E N -0.831 119.294 120.200 -0.125 0.000 2.112 923 E HA -0.126 4.242 4.350 0.029 0.000 0.190 923 E C 1.801 178.350 176.600 -0.085 0.000 0.979 923 E CA 0.571 56.920 56.400 -0.086 0.000 0.814 923 E CB 0.188 29.850 29.700 -0.063 0.000 0.762 923 E HN 0.359 nan 8.360 nan 0.000 0.460 924 M N 0.505 120.033 119.600 -0.120 0.000 2.200 924 M HA -0.097 4.400 4.480 0.029 0.000 0.265 924 M C 2.174 178.411 176.300 -0.105 0.000 1.066 924 M CA 1.245 56.484 55.300 -0.101 0.000 1.127 924 M CB -0.927 31.593 32.600 -0.133 0.000 1.379 924 M HN 0.066 nan 8.290 nan 0.000 0.420 925 Q N 0.802 120.530 119.800 -0.121 0.000 2.002 925 Q HA -0.205 4.153 4.340 0.029 0.000 0.204 925 Q C 2.042 177.976 176.000 -0.111 0.000 0.988 925 Q CA 2.104 57.839 55.803 -0.114 0.000 0.843 925 Q CB -0.488 28.186 28.738 -0.107 0.000 0.908 925 Q HN 0.550 nan 8.270 nan 0.000 0.420 926 Q N -0.464 119.277 119.800 -0.098 0.000 2.156 926 Q HA -0.237 4.121 4.340 0.029 0.000 0.211 926 Q C 2.065 177.998 176.000 -0.111 0.000 0.995 926 Q CA 1.817 57.563 55.803 -0.095 0.000 0.877 926 Q CB -0.320 28.373 28.738 -0.074 0.000 0.920 926 Q HN 0.550 nan 8.270 nan 0.000 0.416 927 L N -0.356 120.811 121.223 -0.093 0.000 1.988 927 L HA -0.146 4.211 4.340 0.029 0.000 0.207 927 L C 2.399 179.178 176.870 -0.151 0.000 1.071 927 L CA 1.351 56.139 54.840 -0.087 0.000 0.744 927 L CB -0.564 41.486 42.059 -0.015 0.000 0.893 927 L HN 0.323 nan 8.230 nan 0.000 0.433 928 A N -0.035 122.689 122.820 -0.160 0.000 1.892 928 A HA -0.317 4.020 4.320 0.029 0.000 0.218 928 A C 1.759 179.196 177.584 -0.246 0.000 1.188 928 A CA 2.312 54.208 52.037 -0.235 0.000 0.631 928 A CB -0.916 17.965 19.000 -0.198 0.000 0.822 928 A HN 0.551 nan 8.150 nan 0.000 0.447 929 D N -0.641 119.641 120.400 -0.196 0.000 2.158 929 D HA -0.157 4.501 4.640 0.029 0.000 0.197 929 D C 2.113 178.270 176.300 -0.238 0.000 0.995 929 D CA 1.226 55.115 54.000 -0.186 0.000 0.846 929 D CB -0.332 40.380 40.800 -0.147 0.000 0.941 929 D HN 0.468 nan 8.370 nan 0.000 0.456 930 R N 0.116 120.427 120.500 -0.315 0.000 2.148 930 R HA -0.044 4.313 4.340 0.029 0.000 0.227 930 R C 2.139 178.084 176.300 -0.591 0.000 1.103 930 R CA 0.494 56.285 56.100 -0.515 0.000 0.983 930 R CB -0.162 29.716 30.300 -0.703 0.000 0.874 930 R HN 0.171 nan 8.270 nan 0.000 0.451 931 V N 1.286 120.963 119.914 -0.396 0.000 2.256 931 V HA -0.179 3.958 4.120 0.029 0.000 0.240 931 V C 2.328 178.308 176.094 -0.189 0.000 1.036 931 V CA 1.411 63.576 62.300 -0.224 0.000 1.008 931 V CB -0.388 31.174 31.823 -0.435 0.000 0.648 931 V HN 0.191 nan 8.190 nan 0.000 0.453 932 I N 1.039 121.468 120.570 -0.235 0.000 2.143 932 I HA -0.361 3.826 4.170 0.029 0.000 0.245 932 I C 2.602 178.654 176.117 -0.107 0.000 1.068 932 I CA 1.837 63.038 61.300 -0.164 0.000 1.326 932 I CB -0.680 37.228 38.000 -0.154 0.000 1.028 932 I HN 0.352 nan 8.210 nan 0.000 0.412 933 A N -0.031 122.715 122.820 -0.123 0.000 2.204 933 A HA -0.255 4.082 4.320 0.029 0.000 0.220 933 A C 1.635 179.195 177.584 -0.040 0.000 1.165 933 A CA 1.732 53.716 52.037 -0.089 0.000 0.671 933 A CB -0.900 18.026 19.000 -0.123 0.000 0.792 933 A HN 0.809 nan 8.150 nan 0.000 0.473 934 C N -3.043 116.250 119.300 -0.012 0.000 3.367 934 C HA 0.563 5.040 4.460 0.029 0.000 0.314 934 C C -0.125 174.905 174.990 0.066 0.000 2.460 934 C CA -0.713 58.331 59.018 0.043 0.000 1.352 934 C CB -1.452 26.343 27.740 0.091 0.000 2.457 934 C HN 0.422 nan 8.230 nan 0.000 0.531 935 R N 1.941 122.457 120.500 0.027 0.000 2.215 935 R HA 0.387 4.744 4.340 0.029 0.000 0.337 935 R C -0.269 176.052 176.300 0.034 0.000 1.010 935 R CA 0.036 56.158 56.100 0.037 0.000 0.871 935 R CB 0.658 30.943 30.300 -0.026 0.000 1.134 935 R HN 0.773 nan 8.270 nan 0.000 0.477 936 Q N 6.141 125.973 119.800 0.053 0.000 2.569 936 Q HA 0.272 4.629 4.340 0.029 0.000 0.226 936 Q C -2.178 173.851 176.000 0.049 0.000 1.136 936 Q CA -2.057 53.773 55.803 0.044 0.000 0.947 936 Q CB 0.912 29.677 28.738 0.046 0.000 1.218 936 Q HN 0.359 nan 8.270 nan 0.000 0.547 937 P HA -0.145 nan 4.420 nan 0.000 0.243 937 P C -0.390 176.935 177.300 0.041 0.000 1.107 937 P CA 0.704 63.833 63.100 0.047 0.000 0.848 937 P CB 0.209 31.929 31.700 0.034 0.000 0.771 938 G N 2.530 111.358 108.800 0.047 0.000 3.107 938 G HA2 0.564 4.541 3.960 0.029 0.000 0.232 938 G HA3 0.564 4.541 3.960 0.029 0.000 0.232 938 G C -0.927 173.984 174.900 0.019 0.000 1.339 938 G CA -0.203 44.916 45.100 0.032 0.000 1.033 938 G HN 0.282 nan 8.290 nan 0.000 0.567 939 Q N -1.256 118.544 119.800 -0.000 0.000 2.882 939 Q HA 0.479 4.836 4.340 0.029 0.000 0.315 939 Q C -0.179 175.781 176.000 -0.067 0.000 1.004 939 Q CA -0.688 55.097 55.803 -0.029 0.000 0.777 939 Q CB 1.473 30.187 28.738 -0.040 0.000 1.506 939 Q HN 0.522 nan 8.270 nan 0.000 0.489 940 S N 0.629 116.252 115.700 -0.128 0.000 2.572 940 S HA 0.286 4.774 4.470 0.029 0.000 0.267 940 S C 0.187 174.631 174.600 -0.260 0.000 1.361 940 S CA 0.213 58.271 58.200 -0.236 0.000 1.009 940 S CB 0.227 63.181 63.200 -0.410 0.000 0.888 940 S HN 0.498 nan 8.310 nan 0.000 0.553 941 M N 1.269 120.684 119.600 -0.308 0.000 2.575 941 M HA 0.395 4.893 4.480 0.029 0.000 0.284 941 M C -1.444 174.675 176.300 -0.302 0.000 1.253 941 M CA -0.463 54.698 55.300 -0.231 0.000 0.861 941 M CB 2.139 34.711 32.600 -0.048 0.000 1.733 941 M HN 0.774 nan 8.290 nan 0.000 0.462 942 E N 3.491 123.578 120.200 -0.189 0.000 2.195 942 E HA 0.517 4.884 4.350 0.029 0.000 0.271 942 E C -1.503 175.155 176.600 0.096 0.000 0.923 942 E CA -0.802 55.603 56.400 0.009 0.000 0.790 942 E CB 1.424 31.165 29.700 0.069 0.000 1.155 942 E HN 0.605 nan 8.360 nan 0.000 0.402 943 I N 2.470 123.146 120.570 0.177 0.000 2.377 943 I HA 0.429 4.616 4.170 0.029 0.000 0.293 943 I C -0.449 175.716 176.117 0.080 0.000 0.987 943 I CA -0.540 60.819 61.300 0.098 0.000 1.185 943 I CB 1.149 39.202 38.000 0.088 0.000 1.341 943 I HN 0.570 nan 8.210 nan 0.000 0.455 944 D N 6.351 126.773 120.400 0.036 0.000 2.934 944 D HA 0.222 4.879 4.640 0.029 0.000 0.249 944 D C -1.136 175.161 176.300 -0.004 0.000 1.293 944 D CA -0.151 53.861 54.000 0.021 0.000 0.812 944 D CB 0.801 41.620 40.800 0.030 0.000 1.439 944 D HN 0.196 nan 8.370 nan 0.000 0.555 945 L N 0.934 122.148 121.223 -0.015 0.000 2.416 945 L HA 0.777 5.134 4.340 0.029 0.000 0.262 945 L C 0.604 177.457 176.870 -0.029 0.000 1.093 945 L CA -0.721 54.102 54.840 -0.029 0.000 0.801 945 L CB 1.350 43.384 42.059 -0.043 0.000 1.191 945 L HN 0.353 nan 8.230 nan 0.000 0.459 946 A N 1.342 124.143 122.820 -0.031 0.000 2.293 946 A HA 0.490 4.827 4.320 0.029 0.000 0.312 946 A C -0.738 176.829 177.584 -0.028 0.000 1.309 946 A CA -0.369 51.652 52.037 -0.027 0.000 0.839 946 A CB 0.703 19.689 19.000 -0.023 0.000 1.155 946 A HN 0.665 nan 8.150 nan 0.000 0.501 947 C N 4.000 123.283 119.300 -0.028 0.000 2.396 947 C HA 0.507 4.984 4.460 0.029 0.000 0.321 947 C C 1.112 176.092 174.990 -0.017 0.000 1.233 947 C CA 0.026 59.028 59.018 -0.026 0.000 1.440 947 C CB -0.230 27.489 27.740 -0.035 0.000 2.110 947 C HN 1.218 nan 8.230 nan 0.000 0.473 948 N N 3.349 122.043 118.700 -0.009 0.000 2.675 948 N HA -0.210 4.547 4.740 0.029 0.000 0.252 948 N C 0.641 176.150 175.510 -0.002 0.000 1.008 948 N CA 0.978 54.028 53.050 -0.001 0.000 0.779 948 N CB -1.241 37.251 38.487 0.008 0.000 0.954 948 N HN 2.043 nan 8.380 nan 0.000 0.541 949 G N -1.823 106.971 108.800 -0.009 0.000 2.325 949 G HA2 -0.036 3.941 3.960 0.029 0.000 0.248 949 G HA3 -0.036 3.941 3.960 0.029 0.000 0.248 949 G C -0.348 174.542 174.900 -0.018 0.000 1.108 949 G CA -0.122 44.970 45.100 -0.012 0.000 0.881 949 G HN 0.828 nan 8.290 nan 0.000 0.494 950 V N -0.588 119.312 119.914 -0.022 0.000 3.077 950 V HA 0.670 4.807 4.120 0.029 0.000 0.299 950 V C -0.409 175.664 176.094 -0.035 0.000 1.276 950 V CA -1.239 61.042 62.300 -0.031 0.000 0.993 950 V CB 1.968 33.770 31.823 -0.033 0.000 1.076 950 V HN 0.363 nan 8.190 nan 0.000 0.434 951 Q N 3.060 122.836 119.800 -0.041 0.000 2.576 951 Q HA 0.759 5.116 4.340 0.029 0.000 0.249 951 Q C -0.876 175.096 176.000 -0.046 0.000 1.041 951 Q CA -0.641 55.140 55.803 -0.037 0.000 0.928 951 Q CB 2.778 31.497 28.738 -0.031 0.000 1.302 951 Q HN 0.779 nan 8.270 nan 0.000 0.504 952 I N -2.508 118.042 120.570 -0.034 0.000 2.793 952 I HA 0.496 4.684 4.170 0.029 0.000 0.295 952 I C -1.036 175.077 176.117 -0.007 0.000 1.610 952 I CA -0.721 60.559 61.300 -0.033 0.000 0.986 952 I CB 1.240 39.219 38.000 -0.035 0.000 1.402 952 I HN 0.632 nan 8.210 nan 0.000 0.500 953 T N -0.041 114.511 114.554 -0.003 0.000 2.916 953 T HA 0.967 5.334 4.350 0.029 0.000 0.305 953 T C -0.313 174.413 174.700 0.044 0.000 1.119 953 T CA -0.151 61.964 62.100 0.025 0.000 1.008 953 T CB 2.306 71.164 68.868 -0.017 0.000 1.129 953 T HN 2.061 nan 8.240 nan 0.000 0.480 954 G N -0.042 108.841 108.800 0.139 0.000 2.368 954 G HA2 0.449 4.426 3.960 0.029 0.000 0.293 954 G HA3 0.449 4.426 3.960 0.029 0.000 0.293 954 G C -2.177 173.060 174.900 0.561 0.000 1.467 954 G CA -0.996 44.222 45.100 0.197 0.000 0.804 954 G HN 0.787 nan 8.290 nan 0.000 0.535 955 W N 1.981 123.284 121.300 0.006 0.000 2.351 955 W HA 0.402 5.080 4.660 0.029 0.000 0.320 955 W C 0.033 176.557 176.519 0.008 0.000 0.947 955 W CA -0.735 56.615 57.345 0.008 0.000 1.565 955 W CB 0.957 30.421 29.460 0.007 0.000 1.409 955 W HN 0.175 nan 8.180 nan 0.000 0.399 956 L N 5.667 126.977 121.223 0.145 0.000 2.456 956 L HA 0.123 4.480 4.340 0.029 0.000 0.277 956 L C -1.804 175.065 176.870 -0.002 0.000 1.124 956 L CA -1.511 53.367 54.840 0.063 0.000 0.880 956 L CB -0.175 41.920 42.059 0.059 0.000 1.192 956 L HN -0.021 nan 8.230 nan 0.000 0.463 957 P HA -0.018 nan 4.420 nan 0.000 0.275 957 P C -0.577 176.700 177.300 -0.038 0.000 1.270 957 P CA -0.530 62.556 63.100 -0.023 0.000 0.791 957 P CB 0.242 31.934 31.700 -0.013 0.000 1.089 958 Q N -1.283 118.504 119.800 -0.020 0.000 2.312 958 Q HA -0.144 4.213 4.340 0.029 0.000 0.360 958 Q C -0.682 175.316 176.000 -0.003 0.000 1.206 958 Q CA 0.205 56.013 55.803 0.008 0.000 1.189 958 Q CB -1.566 27.208 28.738 0.059 0.000 1.365 958 Q HN 0.155 nan 8.270 nan 0.000 0.299 959 V N 2.224 122.131 119.914 -0.012 0.000 2.432 959 V HA 0.086 4.223 4.120 0.029 0.000 0.271 959 V C 0.557 176.665 176.094 0.024 0.000 1.046 959 V CA -0.204 62.091 62.300 -0.008 0.000 0.945 959 V CB 1.296 33.142 31.823 0.040 0.000 0.992 959 V HN 0.451 nan 8.190 nan 0.000 0.471 960 Q N 6.615 126.427 119.800 0.020 0.000 2.221 960 Q HA 0.320 4.677 4.340 0.029 0.000 0.242 960 Q C -1.485 174.560 176.000 0.074 0.000 0.940 960 Q CA -1.875 53.957 55.803 0.047 0.000 0.896 960 Q CB 1.377 30.145 28.738 0.050 0.000 1.226 960 Q HN 0.430 nan 8.270 nan 0.000 0.463 961 P HA -0.153 nan 4.420 nan 0.000 0.228 961 P C -0.431 176.934 177.300 0.109 0.000 1.151 961 P CA 1.200 64.354 63.100 0.090 0.000 0.770 961 P CB 0.359 32.097 31.700 0.063 0.000 0.786 962 D N -0.813 119.641 120.400 0.090 0.000 2.194 962 D HA 0.124 4.782 4.640 0.029 0.000 0.204 962 D C 1.709 178.073 176.300 0.108 0.000 0.964 962 D CA 1.685 55.740 54.000 0.091 0.000 0.846 962 D CB -0.177 40.664 40.800 0.068 0.000 0.962 962 D HN 0.259 nan 8.370 nan 0.000 0.490 963 G N -0.746 108.087 108.800 0.056 0.000 1.930 963 G HA2 -0.002 3.976 3.960 0.029 0.000 0.054 963 G HA3 -0.002 3.976 3.960 0.029 0.000 0.054 963 G C -1.439 173.248 174.900 -0.355 0.000 0.902 963 G CA -0.617 44.405 45.100 -0.131 0.000 1.168 963 G HN 0.099 nan 8.290 nan 0.000 0.383 964 L N 0.839 121.844 121.223 -0.363 0.000 2.362 964 L HA 0.821 5.179 4.340 0.029 0.000 0.275 964 L C -1.152 175.630 176.870 -0.147 0.000 0.998 964 L CA -0.899 53.775 54.840 -0.276 0.000 0.820 964 L CB 2.050 43.907 42.059 -0.337 0.000 1.270 964 L HN 0.495 nan 8.230 nan 0.000 0.415 965 L N 3.805 124.994 121.223 -0.056 0.000 2.415 965 L HA 0.587 4.944 4.340 0.029 0.000 0.268 965 L C -0.703 176.213 176.870 0.075 0.000 0.984 965 L CA -0.153 54.717 54.840 0.050 0.000 0.853 965 L CB 1.312 43.497 42.059 0.211 0.000 1.215 965 L HN 0.525 nan 8.230 nan 0.000 0.419 966 R N 3.386 123.867 120.500 -0.030 0.000 2.778 966 R HA 0.855 5.212 4.340 0.029 0.000 0.277 966 R C -1.815 174.526 176.300 0.068 0.000 0.977 966 R CA -0.275 55.714 56.100 -0.184 0.000 0.950 966 R CB 1.753 31.920 30.300 -0.221 0.000 1.165 966 R HN 0.690 nan 8.270 nan 0.000 0.474 967 W N 0.489 121.827 121.300 0.063 0.000 3.372 967 W HA 0.671 5.348 4.660 0.029 0.000 0.315 967 W C -1.475 175.112 176.519 0.114 0.000 1.223 967 W CA -0.866 56.553 57.345 0.123 0.000 1.202 967 W CB 1.174 30.739 29.460 0.176 0.000 1.367 967 W HN 0.278 nan 8.180 nan 0.000 0.531 968 R N 2.000 122.680 120.500 0.299 0.000 2.668 968 R HA 0.329 4.687 4.340 0.029 0.000 0.272 968 R C -2.592 173.882 176.300 0.289 0.000 1.019 968 R CA -1.906 54.343 56.100 0.249 0.000 0.894 968 R CB 2.861 33.273 30.300 0.186 0.000 1.228 968 R HN 0.176 nan 8.270 nan 0.000 0.460 969 P HA 0.043 nan 4.420 nan 0.000 0.226 969 P C -0.797 176.703 177.300 0.334 0.000 1.758 969 P CA 0.199 63.455 63.100 0.260 0.000 0.896 969 P CB 0.166 31.965 31.700 0.164 0.000 1.784 970 S N -1.216 114.652 115.700 0.280 0.000 2.697 970 S HA 0.571 5.059 4.470 0.029 0.000 0.289 970 S C -0.393 174.292 174.600 0.142 0.000 1.149 970 S CA -0.905 57.413 58.200 0.198 0.000 0.850 970 S CB 0.752 64.027 63.200 0.126 0.000 1.151 970 S HN -0.204 nan 8.310 nan 0.000 0.491 971 L N 0.965 122.248 121.223 0.101 0.000 2.479 971 L HA 0.465 4.823 4.340 0.029 0.000 0.248 971 L C 0.567 177.503 176.870 0.110 0.000 1.205 971 L CA -0.422 54.473 54.840 0.092 0.000 0.817 971 L CB 0.132 42.232 42.059 0.068 0.000 1.162 971 L HN 0.856 nan 8.230 nan 0.000 0.486 972 L N 0.722 122.007 121.223 0.104 0.000 2.417 972 L HA 0.331 4.688 4.340 0.029 0.000 0.268 972 L C -0.023 176.956 176.870 0.181 0.000 1.158 972 L CA 0.174 55.103 54.840 0.148 0.000 0.819 972 L CB 1.191 43.278 42.059 0.048 0.000 1.112 972 L HN 0.873 nan 8.230 nan 0.000 0.458 973 S N 1.804 117.683 115.700 0.299 0.000 2.533 973 S HA 0.300 4.788 4.470 0.029 0.000 0.271 973 S C 0.370 175.188 174.600 0.364 0.000 1.143 973 S CA -0.820 57.534 58.200 0.257 0.000 0.891 973 S CB 1.478 64.768 63.200 0.150 0.000 1.105 973 S HN 0.333 nan 8.310 nan 0.000 0.468 974 V N 1.867 121.972 119.914 0.319 0.000 2.343 974 V HA -0.157 3.980 4.120 0.029 0.000 0.247 974 V C 2.968 179.080 176.094 0.030 0.000 1.051 974 V CA 2.556 65.023 62.300 0.278 0.000 1.036 974 V CB -1.478 30.517 31.823 0.287 0.000 0.654 974 V HN 1.067 nan 8.190 nan 0.000 0.451 975 A N -0.628 122.235 122.820 0.071 0.000 1.978 975 A HA -0.324 4.014 4.320 0.029 0.000 0.220 975 A C 2.165 179.728 177.584 -0.034 0.000 1.170 975 A CA 2.310 54.370 52.037 0.038 0.000 0.636 975 A CB -0.480 18.562 19.000 0.069 0.000 0.810 975 A HN 0.545 nan 8.150 nan 0.000 0.448 976 Q N -0.542 119.230 119.800 -0.046 0.000 2.187 976 Q HA 0.074 4.431 4.340 0.029 0.000 0.199 976 Q C 1.946 177.719 176.000 -0.379 0.000 0.957 976 Q CA 1.557 57.300 55.803 -0.101 0.000 0.857 976 Q CB -0.728 28.024 28.738 0.024 0.000 0.929 976 Q HN 0.511 nan 8.270 nan 0.000 0.453 977 G N 0.461 108.754 108.800 -0.846 0.000 2.404 977 G HA2 -0.279 3.699 3.960 0.029 0.000 0.215 977 G HA3 -0.279 3.699 3.960 0.029 0.000 0.215 977 G C 1.378 175.824 174.900 -0.756 0.000 1.174 977 G CA 1.052 45.074 45.100 -1.797 0.000 0.780 977 G HN 0.416 nan 8.290 nan 0.000 0.537 978 M N 0.346 119.647 119.600 -0.500 0.000 2.108 978 M HA -0.078 4.420 4.480 0.029 0.000 0.261 978 M C 2.411 178.664 176.300 -0.079 0.000 1.066 978 M CA 1.817 56.987 55.300 -0.217 0.000 1.107 978 M CB -0.604 31.905 32.600 -0.151 0.000 1.356 978 M HN 0.246 nan 8.290 nan 0.000 0.406 979 Q N 0.154 119.901 119.800 -0.088 0.000 2.045 979 Q HA -0.186 4.171 4.340 0.029 0.000 0.206 979 Q C 2.177 178.167 176.000 -0.017 0.000 0.991 979 Q CA 2.495 58.282 55.803 -0.026 0.000 0.851 979 Q CB -0.831 27.890 28.738 -0.028 0.000 0.911 979 Q HN 0.720 nan 8.270 nan 0.000 0.418 980 L N -0.590 120.606 121.223 -0.044 0.000 2.201 980 L HA -0.094 4.263 4.340 0.029 0.000 0.212 980 L C 2.112 179.089 176.870 0.178 0.000 1.105 980 L CA 1.148 55.993 54.840 0.008 0.000 0.775 980 L CB -0.417 41.592 42.059 -0.082 0.000 0.913 980 L HN 0.527 nan 8.230 nan 0.000 0.440 981 W N 0.174 121.474 121.300 0.001 0.000 2.388 981 W HA -0.239 4.438 4.660 0.029 0.000 0.294 981 W C 2.016 178.473 176.519 -0.103 0.000 1.212 981 W CA 1.245 58.558 57.345 -0.054 0.000 1.271 981 W CB 0.053 29.330 29.460 -0.305 0.000 1.126 981 W HN 0.344 nan 8.180 nan 0.000 0.535 982 L N 1.564 122.710 121.223 -0.127 0.000 2.044 982 L HA -0.108 4.250 4.340 0.029 0.000 0.205 982 L C 2.452 179.245 176.870 -0.129 0.000 1.075 982 L CA 2.410 57.112 54.840 -0.230 0.000 0.747 982 L CB -1.211 40.778 42.059 -0.117 0.000 0.903 982 L HN -0.038 nan 8.230 nan 0.000 0.435 983 E N -1.705 118.478 120.200 -0.028 0.000 2.331 983 E HA -0.286 4.081 4.350 0.029 0.000 0.199 983 E C 1.958 178.598 176.600 0.067 0.000 1.008 983 E CA 1.060 57.469 56.400 0.015 0.000 0.843 983 E CB -0.110 29.596 29.700 0.010 0.000 0.761 983 E HN 0.733 nan 8.360 nan 0.000 0.507 984 H N -0.188 118.829 119.070 -0.088 0.000 2.306 984 H HA -0.011 4.562 4.556 0.029 0.000 0.307 984 H C 2.288 177.553 175.328 -0.106 0.000 1.061 984 H CA 0.889 56.907 56.048 -0.050 0.000 1.359 984 H CB 0.102 29.847 29.762 -0.028 0.000 1.407 984 H HN 0.125 nan 8.280 nan 0.000 0.517 985 L N 0.395 121.352 121.223 -0.443 0.000 1.997 985 L HA -0.221 4.136 4.340 0.029 0.000 0.216 985 L C 2.794 179.499 176.870 -0.275 0.000 1.074 985 L CA 1.217 55.751 54.840 -0.510 0.000 0.763 985 L CB -0.654 41.044 42.059 -0.601 0.000 0.890 985 L HN 0.173 nan 8.230 nan 0.000 0.434 986 V N -0.764 119.047 119.914 -0.173 0.000 2.324 986 V HA -0.358 3.780 4.120 0.029 0.000 0.250 986 V C 2.322 178.388 176.094 -0.047 0.000 1.060 986 V CA 2.219 64.467 62.300 -0.086 0.000 1.042 986 V CB -0.458 31.346 31.823 -0.032 0.000 0.650 986 V HN 0.496 nan 8.190 nan 0.000 0.450 987 Y N -0.096 120.128 120.300 -0.128 0.000 2.145 987 Y HA -0.267 4.300 4.550 0.029 0.000 0.286 987 Y C 2.535 178.357 175.900 -0.130 0.000 1.145 987 Y CA 2.133 60.181 58.100 -0.088 0.000 1.148 987 Y CB -0.825 37.627 38.460 -0.014 0.000 0.981 987 Y HN 0.302 nan 8.280 nan 0.000 0.507 988 C N 0.620 119.733 119.300 -0.312 0.000 2.425 988 C HA -0.083 4.395 4.460 0.029 0.000 0.277 988 C C 3.056 177.866 174.990 -0.300 0.000 1.280 988 C CA 1.100 59.880 59.018 -0.397 0.000 1.744 988 C CB -1.789 25.719 27.740 -0.387 0.000 1.989 988 C HN 0.759 nan 8.230 nan 0.000 0.491 989 A N 0.096 122.776 122.820 -0.233 0.000 1.855 989 A HA -0.125 4.212 4.320 0.029 0.000 0.215 989 A C 2.136 179.627 177.584 -0.154 0.000 1.191 989 A CA 1.874 53.812 52.037 -0.164 0.000 0.613 989 A CB -0.895 18.025 19.000 -0.133 0.000 0.829 989 A HN 0.496 nan 8.150 nan 0.000 0.442 990 S N -0.651 114.954 115.700 -0.159 0.000 2.693 990 S HA 0.282 4.769 4.470 0.029 0.000 0.243 990 S C 1.310 175.807 174.600 -0.172 0.000 0.973 990 S CA 1.062 59.182 58.200 -0.133 0.000 0.969 990 S CB -0.879 62.259 63.200 -0.103 0.000 0.771 990 S HN 1.473 nan 8.310 nan 0.000 0.542 991 G N 0.998 109.672 108.800 -0.210 0.000 3.035 991 G HA2 -0.075 3.902 3.960 0.029 0.000 0.242 991 G HA3 -0.075 3.902 3.960 0.029 0.000 0.242 991 G C 0.360 175.069 174.900 -0.318 0.000 1.524 991 G CA -0.239 44.740 45.100 -0.202 0.000 1.038 991 G HN 1.268 nan 8.290 nan 0.000 0.561 992 G N 0.841 109.454 108.800 -0.310 0.000 2.706 992 G HA2 0.044 4.022 3.960 0.029 0.000 0.343 992 G HA3 0.044 4.022 3.960 0.029 0.000 0.343 992 G C -0.035 174.610 174.900 -0.425 0.000 0.121 992 G CA 1.148 46.023 45.100 -0.375 0.000 1.208 992 G HN 1.180 nan 8.290 nan 0.000 0.529 993 N N 1.762 120.380 118.700 -0.137 0.000 2.419 993 N HA 0.669 5.426 4.740 0.029 0.000 0.264 993 N C 0.794 176.387 175.510 0.137 0.000 1.031 993 N CA 0.802 53.842 53.050 -0.018 0.000 0.951 993 N CB 1.662 40.153 38.487 0.007 0.000 1.101 993 N HN 0.896 nan 8.380 nan 0.000 0.488 994 G N 0.376 109.354 108.800 0.295 0.000 2.570 994 G HA2 0.311 4.288 3.960 0.029 0.000 0.310 994 G HA3 0.311 4.288 3.960 0.029 0.000 0.310 994 G C -1.391 173.736 174.900 0.378 0.000 1.266 994 G CA -0.454 44.850 45.100 0.341 0.000 0.825 994 G HN 0.449 nan 8.290 nan 0.000 0.483 995 E N -1.373 118.974 120.200 0.244 0.000 2.450 995 E HA 0.741 5.108 4.350 0.029 0.000 0.248 995 E C -0.885 175.703 176.600 -0.020 0.000 0.930 995 E CA -0.496 56.000 56.400 0.160 0.000 0.854 995 E CB 1.914 31.674 29.700 0.099 0.000 1.355 995 E HN 0.899 nan 8.360 nan 0.000 0.402 996 S N 0.665 116.273 115.700 -0.153 0.000 2.590 996 S HA 0.556 5.043 4.470 0.029 0.000 0.286 996 S C -1.147 173.285 174.600 -0.280 0.000 1.147 996 S CA -0.986 57.057 58.200 -0.263 0.000 0.963 996 S CB 1.062 64.022 63.200 -0.400 0.000 1.124 996 S HN 0.440 nan 8.310 nan 0.000 0.458 997 R N 1.447 121.769 120.500 -0.297 0.000 2.803 997 R HA 0.739 5.096 4.340 0.029 0.000 0.276 997 R C -1.282 174.737 176.300 -0.469 0.000 0.978 997 R CA -0.792 55.041 56.100 -0.445 0.000 0.939 997 R CB 1.813 31.727 30.300 -0.643 0.000 1.179 997 R HN 0.732 nan 8.270 nan 0.000 0.472 998 L N 3.412 124.367 121.223 -0.446 0.000 2.377 998 L HA 0.511 4.868 4.340 0.029 0.000 0.270 998 L C -1.447 175.314 176.870 -0.182 0.000 0.991 998 L CA -0.658 54.040 54.840 -0.238 0.000 0.851 998 L CB 0.602 42.614 42.059 -0.078 0.000 1.218 998 L HN 0.531 nan 8.230 nan 0.000 0.420 999 F N 5.043 125.085 119.950 0.153 0.000 2.420 999 F HA 0.454 4.999 4.527 0.029 0.000 0.352 999 F C 0.410 176.306 175.800 0.159 0.000 1.108 999 F CA -0.184 57.899 58.000 0.138 0.000 1.162 999 F CB 0.949 40.032 39.000 0.139 0.000 1.118 999 F HN 0.279 nan 8.300 nan 0.000 0.510 1000 L N 2.434 123.841 121.223 0.306 0.000 2.343 1000 L HA 0.603 4.960 4.340 0.029 0.000 0.264 1000 L C 0.576 177.549 176.870 0.172 0.000 1.050 1000 L CA -1.457 53.517 54.840 0.223 0.000 0.956 1000 L CB 1.035 43.200 42.059 0.177 0.000 1.576 1000 L HN 0.397 nan 8.230 nan 0.000 0.521 1001 R N 0.086 120.669 120.500 0.139 0.000 2.652 1001 R HA 0.158 4.515 4.340 0.029 0.000 0.271 1001 R C -0.124 176.218 176.300 0.070 0.000 1.129 1001 R CA -0.587 55.572 56.100 0.099 0.000 1.200 1001 R CB 0.168 30.527 30.300 0.098 0.000 1.146 1001 R HN 0.380 nan 8.270 nan 0.000 0.581 1002 K N 1.786 122.213 120.400 0.046 0.000 3.012 1002 K HA -0.278 4.059 4.320 0.029 0.000 0.259 1002 K C -0.705 175.910 176.600 0.025 0.000 0.989 1002 K CA 1.269 57.574 56.287 0.029 0.000 0.728 1002 K CB -1.467 31.051 32.500 0.029 0.000 1.260 1002 K HN 0.888 nan 8.250 nan 0.000 0.480 1003 D N -2.152 118.266 120.400 0.030 0.000 3.039 1003 D HA -0.168 4.489 4.640 0.029 0.000 0.222 1003 D C 0.819 177.151 176.300 0.054 0.000 1.179 1003 D CA 1.800 55.819 54.000 0.032 0.000 0.880 1003 D CB -1.148 39.653 40.800 0.002 0.000 1.115 1003 D HN 0.669 nan 8.370 nan 0.000 0.416 1004 G N 0.426 109.260 108.800 0.057 0.000 2.664 1004 G HA2 0.281 4.259 3.960 0.029 0.000 0.242 1004 G HA3 0.281 4.259 3.960 0.029 0.000 0.242 1004 G C -0.033 174.902 174.900 0.058 0.000 1.225 1004 G CA 0.234 45.347 45.100 0.022 0.000 0.849 1004 G HN 0.269 nan 8.290 nan 0.000 0.581 1005 E N -0.535 119.628 120.200 -0.061 0.000 2.378 1005 E HA 0.266 4.633 4.350 0.029 0.000 0.283 1005 E C -2.159 174.290 176.600 -0.253 0.000 0.979 1005 E CA -0.843 55.522 56.400 -0.058 0.000 0.795 1005 E CB 1.452 31.174 29.700 0.036 0.000 1.221 1005 E HN 0.505 nan 8.360 nan 0.000 0.428 1006 W N 4.215 125.352 121.300 -0.272 0.000 2.453 1006 W HA 0.437 5.113 4.660 0.028 0.000 0.310 1006 W C -0.313 175.815 176.519 -0.651 0.000 1.000 1006 W CA -0.761 56.300 57.345 -0.473 0.000 1.367 1006 W CB 1.584 30.763 29.460 -0.469 0.000 1.269 1006 W HN 0.244 nan 8.180 nan 0.000 0.418 1007 R N 4.090 124.359 120.500 -0.384 0.000 2.534 1007 R HA 0.618 4.976 4.340 0.029 0.000 0.301 1007 R C -1.506 174.628 176.300 -0.277 0.000 0.961 1007 R CA -0.521 55.378 56.100 -0.336 0.000 0.871 1007 R CB 1.099 31.317 30.300 -0.136 0.000 1.170 1007 R HN 0.436 nan 8.270 nan 0.000 0.446 1008 F N 5.029 124.978 119.950 -0.002 0.000 2.507 1008 F HA 0.446 4.990 4.527 0.028 0.000 0.325 1008 F C -1.858 174.004 175.800 0.103 0.000 1.116 1008 F CA -2.687 55.357 58.000 0.074 0.000 0.930 1008 F CB 2.359 41.382 39.000 0.037 0.000 1.146 1008 F HN 0.366 nan 8.300 nan 0.000 0.447 1009 P HA 0.115 nan 4.420 nan 0.000 0.271 1009 P C -2.549 175.017 177.300 0.443 0.000 1.218 1009 P CA -1.281 62.048 63.100 0.382 0.000 0.780 1009 P CB -0.038 31.886 31.700 0.373 0.000 0.901 1010 P HA 0.035 nan 4.420 nan 0.000 0.265 1010 P C -0.786 176.649 177.300 0.225 0.000 1.193 1010 P CA 0.588 63.872 63.100 0.306 0.000 0.765 1010 P CB 0.348 32.182 31.700 0.223 0.000 0.823 1011 L N 1.986 123.276 121.223 0.112 0.000 2.330 1011 L HA 0.539 4.896 4.340 0.029 0.000 0.271 1011 L C 0.756 177.635 176.870 0.015 0.000 1.013 1011 L CA -1.120 53.757 54.840 0.062 0.000 0.816 1011 L CB 1.238 43.263 42.059 -0.058 0.000 1.287 1011 L HN 0.382 nan 8.230 nan 0.000 0.435 1012 A N 1.313 124.158 122.820 0.041 0.000 2.409 1012 A HA 0.483 4.821 4.320 0.029 0.000 0.267 1012 A C 1.288 178.859 177.584 -0.023 0.000 1.127 1012 A CA 0.288 52.334 52.037 0.013 0.000 0.795 1012 A CB 0.451 19.472 19.000 0.035 0.000 1.061 1012 A HN 0.972 nan 8.150 nan 0.000 0.502 1013 A N 1.963 124.750 122.820 -0.055 0.000 2.131 1013 A HA -0.285 4.053 4.320 0.029 0.000 0.224 1013 A C 1.840 179.392 177.584 -0.053 0.000 1.172 1013 A CA 2.398 54.388 52.037 -0.078 0.000 0.672 1013 A CB -0.515 18.437 19.000 -0.080 0.000 0.815 1013 A HN 0.997 nan 8.150 nan 0.000 0.477 1014 E N -0.270 119.914 120.200 -0.026 0.000 2.021 1014 E HA -0.250 4.117 4.350 0.029 0.000 0.189 1014 E C 2.297 178.900 176.600 0.005 0.000 0.980 1014 E CA 1.056 57.448 56.400 -0.014 0.000 0.803 1014 E CB -0.330 29.365 29.700 -0.009 0.000 0.766 1014 E HN 0.875 nan 8.360 nan 0.000 0.449 1015 Q N 0.200 120.017 119.800 0.028 0.000 2.226 1015 Q HA -0.099 4.258 4.340 0.029 0.000 0.204 1015 Q C 2.030 178.094 176.000 0.106 0.000 0.975 1015 Q CA 1.251 57.104 55.803 0.083 0.000 0.866 1015 Q CB -0.239 28.588 28.738 0.147 0.000 0.915 1015 Q HN 0.255 nan 8.270 nan 0.000 0.440 1016 A N 1.977 124.800 122.820 0.006 0.000 1.865 1016 A HA -0.149 4.188 4.320 0.029 0.000 0.217 1016 A C 2.197 179.730 177.584 -0.086 0.000 1.191 1016 A CA 1.294 53.270 52.037 -0.102 0.000 0.623 1016 A CB -0.660 18.225 19.000 -0.191 0.000 0.826 1016 A HN 0.403 nan 8.150 nan 0.000 0.444 1017 L N -0.453 120.733 121.223 -0.062 0.000 2.127 1017 L HA -0.206 4.151 4.340 0.029 0.000 0.211 1017 L C 2.374 179.216 176.870 -0.046 0.000 1.089 1017 L CA 2.555 57.361 54.840 -0.056 0.000 0.757 1017 L CB -1.586 40.451 42.059 -0.036 0.000 0.899 1017 L HN 0.760 nan 8.230 nan 0.000 0.434 1018 H N -1.222 117.776 119.070 -0.121 0.000 2.389 1018 H HA -0.187 4.386 4.556 0.029 0.000 0.299 1018 H C 1.976 177.159 175.328 -0.241 0.000 1.081 1018 H CA 1.976 57.903 56.048 -0.202 0.000 1.345 1018 H CB -0.086 29.491 29.762 -0.309 0.000 1.393 1018 H HN 0.320 nan 8.280 nan 0.000 0.520 1019 Y N -1.231 118.908 120.300 -0.268 0.000 2.397 1019 Y HA 0.022 4.589 4.550 0.028 0.000 0.292 1019 Y C 2.132 177.890 175.900 -0.236 0.000 1.115 1019 Y CA 0.248 58.180 58.100 -0.279 0.000 1.208 1019 Y CB 0.028 38.369 38.460 -0.199 0.000 1.046 1019 Y HN 0.187 nan 8.280 nan 0.000 0.552 1020 L N -0.530 120.628 121.223 -0.108 0.000 2.447 1020 L HA -0.186 4.171 4.340 0.029 0.000 0.225 1020 L C 1.970 178.809 176.870 -0.051 0.000 1.148 1020 L CA 1.325 56.092 54.840 -0.122 0.000 0.808 1020 L CB -0.485 41.492 42.059 -0.136 0.000 0.928 1020 L HN 0.045 nan 8.230 nan 0.000 0.448 1021 S N -1.256 114.405 115.700 -0.065 0.000 2.356 1021 S HA -0.110 4.378 4.470 0.029 0.000 0.219 1021 S C 1.740 176.375 174.600 0.059 0.000 1.036 1021 S CA 0.812 58.996 58.200 -0.026 0.000 0.965 1021 S CB -0.122 63.031 63.200 -0.079 0.000 0.864 1021 S HN 0.530 nan 8.310 nan 0.000 0.471 1022 Q N 0.830 120.660 119.800 0.050 0.000 2.152 1022 Q HA -0.097 4.260 4.340 0.029 0.000 0.206 1022 Q C 2.130 178.402 176.000 0.454 0.000 0.985 1022 Q CA 1.108 57.055 55.803 0.240 0.000 0.863 1022 Q CB -0.478 28.381 28.738 0.201 0.000 0.904 1022 Q HN 0.481 nan 8.270 nan 0.000 0.422 1023 L N 0.068 121.475 121.223 0.307 0.000 2.056 1023 L HA -0.162 4.196 4.340 0.029 0.000 0.207 1023 L C 2.360 179.515 176.870 0.475 0.000 1.078 1023 L CA 0.892 55.963 54.840 0.385 0.000 0.749 1023 L CB -0.399 41.686 42.059 0.044 0.000 0.901 1023 L HN 0.250 nan 8.230 nan 0.000 0.433 1024 I N 0.067 120.781 120.570 0.241 0.000 2.454 1024 I HA -0.269 3.918 4.170 0.029 0.000 0.254 1024 I C 2.567 178.788 176.117 0.172 0.000 1.156 1024 I CA 0.971 62.358 61.300 0.144 0.000 1.433 1024 I CB -0.004 38.027 38.000 0.052 0.000 1.082 1024 I HN 0.315 nan 8.210 nan 0.000 0.432 1025 E N 1.185 121.529 120.200 0.239 0.000 2.047 1025 E HA -0.148 4.219 4.350 0.029 0.000 0.191 1025 E C 2.157 178.887 176.600 0.216 0.000 0.987 1025 E CA 1.681 58.234 56.400 0.254 0.000 0.799 1025 E CB -0.541 29.360 29.700 0.335 0.000 0.752 1025 E HN 0.368 nan 8.360 nan 0.000 0.449 1026 G N -0.350 108.593 108.800 0.237 0.000 2.446 1026 G HA2 -0.343 3.634 3.960 0.029 0.000 0.217 1026 G HA3 -0.343 3.634 3.960 0.029 0.000 0.217 1026 G C 1.578 176.193 174.900 -0.474 0.000 1.168 1026 G CA 1.067 46.069 45.100 -0.164 0.000 0.771 1026 G HN 0.458 nan 8.290 nan 0.000 0.551 1027 Y N 1.306 121.089 120.300 -0.861 0.000 2.207 1027 Y HA -0.119 4.449 4.550 0.030 0.000 0.287 1027 Y C 2.849 178.243 175.900 -0.843 0.000 1.156 1027 Y CA 2.029 59.179 58.100 -1.583 0.000 1.182 1027 Y CB -0.270 37.612 38.460 -0.964 0.000 0.979 1027 Y HN 0.129 nan 8.280 nan 0.000 0.521 1028 R N 0.215 120.621 120.500 -0.157 0.000 2.075 1028 R HA -0.169 4.189 4.340 0.029 0.000 0.230 1028 R C 2.284 178.424 176.300 -0.265 0.000 1.140 1028 R CA 2.137 58.212 56.100 -0.041 0.000 0.928 1028 R CB -0.262 30.174 30.300 0.228 0.000 0.834 1028 R HN 0.458 nan 8.270 nan 0.000 0.429 1029 E N -0.994 119.138 120.200 -0.113 0.000 2.110 1029 E HA -0.143 4.224 4.350 0.029 0.000 0.193 1029 E C 1.898 178.398 176.600 -0.167 0.000 0.988 1029 E CA 1.088 57.445 56.400 -0.072 0.000 0.804 1029 E CB -0.228 29.497 29.700 0.043 0.000 0.745 1029 E HN 0.545 nan 8.360 nan 0.000 0.458 1030 G N 0.975 109.629 108.800 -0.243 0.000 2.475 1030 G HA2 -0.253 3.724 3.960 0.029 0.000 0.220 1030 G HA3 -0.253 3.724 3.960 0.029 0.000 0.220 1030 G C 1.451 176.267 174.900 -0.141 0.000 1.125 1030 G CA 0.707 45.750 45.100 -0.094 0.000 0.755 1030 G HN 0.097 nan 8.290 nan 0.000 0.565 1031 M N 0.840 120.098 119.600 -0.570 0.000 2.506 1031 M HA 0.127 4.625 4.480 0.029 0.000 0.260 1031 M C 2.558 178.676 176.300 -0.303 0.000 1.104 1031 M CA 0.823 55.713 55.300 -0.682 0.000 1.112 1031 M CB -0.213 31.370 32.600 -1.696 0.000 1.401 1031 M HN 0.367 nan 8.290 nan 0.000 0.473 1032 S N 0.202 115.796 115.700 -0.176 0.000 2.356 1032 S HA 0.285 4.772 4.470 0.029 0.000 0.219 1032 S C 0.797 175.471 174.600 0.124 0.000 1.036 1032 S CA 0.753 58.965 58.200 0.020 0.000 0.965 1032 S CB 0.315 63.524 63.200 0.014 0.000 0.864 1032 S HN 0.426 nan 8.310 nan 0.000 0.471 1033 A N 0.400 123.162 122.820 -0.096 0.000 2.593 1033 A HA 0.738 5.075 4.320 0.029 0.000 0.290 1033 A C -3.095 174.031 177.584 -0.764 0.000 1.126 1033 A CA -1.706 49.987 52.037 -0.573 0.000 0.695 1033 A CB 0.347 19.155 19.000 -0.319 0.000 1.290 1033 A HN 0.218 nan 8.150 nan 0.000 0.414 1034 P HA 0.083 nan 4.420 nan 0.000 0.259 1034 P C -0.446 176.771 177.300 -0.138 0.000 1.211 1034 P CA 0.289 63.096 63.100 -0.488 0.000 0.810 1034 P CB 0.068 31.611 31.700 -0.261 0.000 0.815 1035 L N 5.287 126.470 121.223 -0.067 0.000 2.361 1035 L HA 0.118 4.475 4.340 0.029 0.000 0.278 1035 L C 0.708 177.618 176.870 0.067 0.000 1.113 1035 L CA -0.254 54.590 54.840 0.006 0.000 0.849 1035 L CB 0.237 42.286 42.059 -0.017 0.000 1.155 1035 L HN 0.307 nan 8.230 nan 0.000 0.452 1036 L N 5.555 126.867 121.223 0.149 0.000 2.386 1036 L HA 0.044 4.401 4.340 0.029 0.000 0.164 1036 L C 0.408 177.410 176.870 0.220 0.000 1.119 1036 L CA -0.144 54.838 54.840 0.237 0.000 2.312 1036 L CB -0.312 41.880 42.059 0.223 0.000 2.344 1036 L HN 0.500 nan 8.230 nan 0.000 0.715 1037 V N 0.668 120.732 119.914 0.250 0.000 3.444 1037 V HA -0.163 3.974 4.120 0.029 0.000 0.446 1037 V C -0.531 175.711 176.094 0.246 0.000 0.680 1037 V CA -0.004 62.459 62.300 0.271 0.000 1.936 1037 V CB -1.284 30.721 31.823 0.304 0.000 2.391 1037 V HN 0.358 nan 8.190 nan 0.000 0.491 1038 L N 7.391 128.741 121.223 0.211 0.000 2.321 1038 L HA 0.290 4.647 4.340 0.029 0.000 0.272 1038 L C -0.433 176.516 176.870 0.132 0.000 1.050 1038 L CA -1.535 53.376 54.840 0.118 0.000 0.893 1038 L CB 1.479 43.533 42.059 -0.008 0.000 1.272 1038 L HN 0.371 nan 8.230 nan 0.000 0.435 1039 P HA -0.237 nan 4.420 nan 0.000 0.219 1039 P C 0.689 178.090 177.300 0.168 0.000 1.149 1039 P CA 1.562 64.770 63.100 0.180 0.000 0.835 1039 P CB 0.517 32.311 31.700 0.155 0.000 0.778 1040 E N -0.454 119.801 120.200 0.091 0.000 2.079 1040 E HA 0.012 4.379 4.350 0.029 0.000 0.191 1040 E C 2.340 178.957 176.600 0.028 0.000 0.961 1040 E CA 0.730 57.174 56.400 0.073 0.000 0.823 1040 E CB -0.921 28.788 29.700 0.016 0.000 0.789 1040 E HN 0.239 nan 8.360 nan 0.000 0.459 1041 S N 1.248 116.878 115.700 -0.117 0.000 2.348 1041 S HA -0.092 4.396 4.470 0.029 0.000 0.221 1041 S C 2.118 176.705 174.600 -0.023 0.000 1.033 1041 S CA 1.330 59.277 58.200 -0.422 0.000 1.010 1041 S CB -0.797 61.784 63.200 -1.033 0.000 0.891 1041 S HN 0.449 nan 8.310 nan 0.000 0.442 1042 G N 1.499 110.406 108.800 0.178 0.000 2.459 1042 G HA2 -0.086 3.891 3.960 0.029 0.000 0.217 1042 G HA3 -0.086 3.891 3.960 0.029 0.000 0.217 1042 G C 1.507 176.631 174.900 0.372 0.000 1.183 1042 G CA 0.959 46.287 45.100 0.380 0.000 0.776 1042 G HN 0.576 nan 8.290 nan 0.000 0.552 1043 G N 1.016 110.016 108.800 0.333 0.000 2.475 1043 G HA2 0.002 3.980 3.960 0.029 0.000 0.220 1043 G HA3 0.002 3.980 3.960 0.029 0.000 0.220 1043 G C 1.931 177.033 174.900 0.336 0.000 1.125 1043 G CA 1.699 47.062 45.100 0.439 0.000 0.755 1043 G HN 0.706 nan 8.290 nan 0.000 0.565 1044 A N 0.107 123.089 122.820 0.271 0.000 1.826 1044 A HA 0.021 4.358 4.320 0.029 0.000 0.214 1044 A C 2.150 179.877 177.584 0.237 0.000 1.212 1044 A CA 1.473 53.638 52.037 0.214 0.000 0.605 1044 A CB -1.046 18.061 19.000 0.177 0.000 0.861 1044 A HN 0.516 nan 8.150 nan 0.000 0.447 1045 W N 0.252 121.663 121.300 0.185 0.000 2.325 1045 W HA -0.211 4.467 4.660 0.030 0.000 0.299 1045 W C 1.789 178.325 176.519 0.029 0.000 1.215 1045 W CA 1.823 59.260 57.345 0.152 0.000 1.244 1045 W CB -0.004 29.605 29.460 0.249 0.000 1.140 1045 W HN 0.275 nan 8.180 nan 0.000 0.523 1046 L N 1.446 122.939 121.223 0.450 0.000 2.141 1046 L HA -0.160 4.197 4.340 0.029 0.000 0.209 1046 L C 2.216 178.882 176.870 -0.341 0.000 1.094 1046 L CA 2.048 56.987 54.840 0.164 0.000 0.763 1046 L CB -1.137 40.997 42.059 0.123 0.000 0.908 1046 L HN 0.122 nan 8.230 nan 0.000 0.437 1047 K N -1.387 118.768 120.400 -0.408 0.000 2.305 1047 K HA -0.077 4.260 4.320 0.029 0.000 0.199 1047 K C 1.691 178.173 176.600 -0.197 0.000 1.047 1047 K CA 1.058 57.060 56.287 -0.476 0.000 0.976 1047 K CB 0.291 32.679 32.500 -0.186 0.000 0.765 1047 K HN 0.197 nan 8.250 nan 0.000 0.474 1048 T N -0.041 114.404 114.554 -0.181 0.000 2.985 1048 T HA -0.065 4.302 4.350 0.029 0.000 0.266 1048 T C 1.644 176.194 174.700 -0.249 0.000 1.076 1048 T CA 0.907 62.892 62.100 -0.191 0.000 1.135 1048 T CB -0.050 68.688 68.868 -0.217 0.000 0.890 1048 T HN 0.336 nan 8.240 nan 0.000 0.480 1049 C N -0.138 118.965 119.300 -0.329 0.000 2.590 1049 C HA 0.334 4.811 4.460 0.029 0.000 0.272 1049 C C 1.133 176.043 174.990 -0.132 0.000 1.338 1049 C CA -1.315 57.517 59.018 -0.310 0.000 1.746 1049 C CB -1.013 26.413 27.740 -0.524 0.000 2.020 1049 C HN 0.525 nan 8.230 nan 0.000 0.531 1050 Y N 2.202 122.373 120.300 -0.216 0.000 2.314 1050 Y HA 0.424 4.991 4.550 0.029 0.000 0.334 1050 Y C 0.063 175.905 175.900 -0.097 0.000 1.266 1050 Y CA 0.351 58.367 58.100 -0.140 0.000 1.391 1050 Y CB 0.311 38.667 38.460 -0.173 0.000 1.306 1050 Y HN 0.173 nan 8.280 nan 0.000 0.558 1051 D N 2.213 122.008 120.400 -1.009 0.000 2.990 1051 D HA 0.309 4.967 4.640 0.029 0.000 0.227 1051 D C -0.156 175.662 176.300 -0.804 0.000 1.249 1051 D CA 0.017 53.634 54.000 -0.638 0.000 0.891 1051 D CB 2.140 42.721 40.800 -0.365 0.000 1.647 1051 D HN 0.756 nan 8.370 nan 0.000 0.530 1052 A N 3.332 125.939 122.820 -0.355 0.000 2.019 1052 A HA -0.127 4.210 4.320 0.029 0.000 0.219 1052 A C 0.963 178.459 177.584 -0.146 0.000 1.164 1052 A CA 1.127 53.071 52.037 -0.155 0.000 0.644 1052 A CB -0.135 18.858 19.000 -0.012 0.000 0.805 1052 A HN 0.504 nan 8.150 nan 0.000 0.449 1053 Q N -0.374 119.330 119.800 -0.161 0.000 2.296 1053 Q HA 0.351 4.708 4.340 0.029 0.000 0.263 1053 Q C 0.470 176.397 176.000 -0.122 0.000 1.026 1053 Q CA 0.553 56.289 55.803 -0.111 0.000 0.912 1053 Q CB 0.459 29.143 28.738 -0.091 0.000 1.198 1053 Q HN 0.529 nan 8.270 nan 0.000 0.407 1054 N N 2.709 121.361 118.700 -0.079 0.000 2.778 1054 N HA -0.286 4.472 4.740 0.029 0.000 0.249 1054 N C -0.908 174.561 175.510 -0.068 0.000 1.069 1054 N CA 1.359 54.373 53.050 -0.060 0.000 0.831 1054 N CB -0.970 37.484 38.487 -0.054 0.000 1.142 1054 N HN 0.880 nan 8.380 nan 0.000 0.573 1055 D N -2.691 117.641 120.400 -0.113 0.000 2.699 1055 D HA -0.205 4.452 4.640 0.029 0.000 0.239 1055 D C -0.196 176.026 176.300 -0.129 0.000 1.136 1055 D CA 1.239 55.188 54.000 -0.085 0.000 0.668 1055 D CB -1.367 39.469 40.800 0.060 0.000 1.060 1055 D HN 0.805 nan 8.370 nan 0.000 0.429 1056 A N 1.556 124.223 122.820 -0.255 0.000 2.410 1056 A HA 0.438 4.775 4.320 0.029 0.000 0.292 1056 A C 0.649 178.124 177.584 -0.182 0.000 1.232 1056 A CA -0.240 51.688 52.037 -0.182 0.000 0.893 1056 A CB 0.268 19.166 19.000 -0.169 0.000 1.131 1056 A HN 0.396 nan 8.150 nan 0.000 0.530 1057 M N 4.074 123.646 119.600 -0.048 0.000 2.094 1057 M HA 0.261 4.759 4.480 0.029 0.000 0.348 1057 M C -0.358 175.928 176.300 -0.023 0.000 1.267 1057 M CA -0.333 54.976 55.300 0.015 0.000 1.125 1057 M CB -0.103 32.561 32.600 0.107 0.000 1.527 1057 M HN 0.566 nan 8.290 nan 0.000 0.447 1058 L N 3.236 124.416 121.223 -0.072 0.000 2.461 1058 L HA 0.071 4.429 4.340 0.029 0.000 0.272 1058 L C 1.187 178.017 176.870 -0.066 0.000 1.197 1058 L CA 0.195 54.985 54.840 -0.083 0.000 0.836 1058 L CB 0.416 42.402 42.059 -0.122 0.000 1.105 1058 L HN 0.611 nan 8.230 nan 0.000 0.477 1059 D N -0.485 119.887 120.400 -0.046 0.000 2.525 1059 D HA -0.030 4.628 4.640 0.029 0.000 0.231 1059 D C -0.301 175.982 176.300 -0.027 0.000 1.216 1059 D CA -0.121 53.868 54.000 -0.019 0.000 0.813 1059 D CB 0.616 41.420 40.800 0.007 0.000 1.108 1059 D HN 0.645 nan 8.370 nan 0.000 0.524 1060 D N 1.213 121.586 120.400 -0.046 0.000 2.455 1060 D HA -0.072 4.585 4.640 0.029 0.000 0.241 1060 D C 0.552 176.825 176.300 -0.045 0.000 1.138 1060 D CA -0.083 53.892 54.000 -0.041 0.000 0.877 1060 D CB 1.259 42.030 40.800 -0.047 0.000 1.187 1060 D HN -0.089 nan 8.370 nan 0.000 0.451 1061 D N 1.032 121.415 120.400 -0.029 0.000 2.403 1061 D HA -0.129 4.528 4.640 0.029 0.000 0.227 1061 D C 1.808 178.088 176.300 -0.034 0.000 0.995 1061 D CA 0.721 54.706 54.000 -0.024 0.000 0.928 1061 D CB 0.151 40.943 40.800 -0.013 0.000 0.887 1061 D HN 0.543 nan 8.370 nan 0.000 0.529 1062 S N -0.331 115.343 115.700 -0.044 0.000 2.356 1062 S HA -0.131 4.357 4.470 0.029 0.000 0.219 1062 S C 2.147 176.708 174.600 -0.066 0.000 1.036 1062 S CA 1.506 59.678 58.200 -0.046 0.000 0.965 1062 S CB -0.590 62.583 63.200 -0.045 0.000 0.864 1062 S HN 0.292 nan 8.310 nan 0.000 0.471 1063 T N 0.308 114.805 114.554 -0.094 0.000 2.978 1063 T HA 0.256 4.623 4.350 0.029 0.000 0.262 1063 T C 1.828 176.412 174.700 -0.192 0.000 1.063 1063 T CA 0.323 62.339 62.100 -0.141 0.000 1.140 1063 T CB -0.802 67.964 68.868 -0.170 0.000 0.886 1063 T HN 0.277 nan 8.240 nan 0.000 0.470 1064 L N 0.540 121.666 121.223 -0.162 0.000 2.450 1064 L HA -0.111 4.246 4.340 0.029 0.000 0.225 1064 L C 2.720 179.548 176.870 -0.071 0.000 1.145 1064 L CA 1.389 56.142 54.840 -0.146 0.000 0.801 1064 L CB -0.363 41.676 42.059 -0.033 0.000 0.924 1064 L HN 0.484 nan 8.230 nan 0.000 0.447 1065 Q N -1.381 118.381 119.800 -0.063 0.000 2.402 1065 Q HA -0.028 4.329 4.340 0.029 0.000 0.231 1065 Q C 1.932 177.916 176.000 -0.026 0.000 0.888 1065 Q CA 0.151 55.943 55.803 -0.019 0.000 0.938 1065 Q CB 0.401 29.132 28.738 -0.011 0.000 1.086 1065 Q HN 0.411 nan 8.270 nan 0.000 0.543 1066 K N 0.969 121.329 120.400 -0.067 0.000 2.103 1066 K HA 0.009 4.346 4.320 0.029 0.000 0.204 1066 K C 2.109 178.670 176.600 -0.066 0.000 1.052 1066 K CA 1.028 57.282 56.287 -0.055 0.000 0.945 1066 K CB -0.056 32.400 32.500 -0.075 0.000 0.722 1066 K HN 0.071 nan 8.250 nan 0.000 0.443 1067 A N 1.961 124.672 122.820 -0.183 0.000 1.865 1067 A HA -0.213 4.124 4.320 0.029 0.000 0.217 1067 A C 2.120 179.726 177.584 0.037 0.000 1.191 1067 A CA 1.639 53.501 52.037 -0.291 0.000 0.623 1067 A CB -0.583 17.821 19.000 -0.993 0.000 0.826 1067 A HN 0.244 nan 8.150 nan 0.000 0.444 1068 R N -0.776 119.795 120.500 0.118 0.000 2.211 1068 R HA -0.131 4.227 4.340 0.029 0.000 0.240 1068 R C 1.765 178.208 176.300 0.237 0.000 1.144 1068 R CA 1.915 58.179 56.100 0.274 0.000 0.992 1068 R CB -0.401 29.995 30.300 0.161 0.000 0.869 1068 R HN 0.578 nan 8.270 nan 0.000 0.462 1069 T N 0.543 115.188 114.554 0.151 0.000 2.814 1069 T HA 0.003 4.371 4.350 0.029 0.000 0.254 1069 T C 1.523 176.321 174.700 0.163 0.000 1.037 1069 T CA 0.586 62.766 62.100 0.132 0.000 1.143 1069 T CB 0.004 68.914 68.868 0.070 0.000 0.866 1069 T HN 0.114 nan 8.240 nan 0.000 0.431 1070 K N 1.093 121.578 120.400 0.142 0.000 2.113 1070 K HA -0.065 4.272 4.320 0.029 0.000 0.208 1070 K C 1.904 178.628 176.600 0.205 0.000 1.047 1070 K CA 1.138 57.508 56.287 0.138 0.000 0.928 1070 K CB -0.821 31.740 32.500 0.101 0.000 0.716 1070 K HN 0.384 nan 8.250 nan 0.000 0.446 1071 F N 1.693 121.741 119.950 0.163 0.000 2.014 1071 F HA -0.176 4.367 4.527 0.026 0.000 0.295 1071 F C 2.128 178.025 175.800 0.162 0.000 1.145 1071 F CA 1.419 59.535 58.000 0.193 0.000 1.178 1071 F CB -0.394 38.756 39.000 0.250 0.000 0.972 1071 F HN -0.138 nan 8.300 nan 0.000 0.476 1072 L N 0.062 121.553 121.223 0.446 0.000 2.187 1072 L HA -0.265 4.093 4.340 0.029 0.000 0.213 1072 L C 2.491 179.463 176.870 0.170 0.000 1.100 1072 L CA 1.575 56.599 54.840 0.307 0.000 0.765 1072 L CB -0.924 41.297 42.059 0.270 0.000 0.904 1072 L HN 0.400 nan 8.230 nan 0.000 0.437 1073 Q N -0.218 119.660 119.800 0.130 0.000 2.167 1073 Q HA -0.174 4.184 4.340 0.029 0.000 0.202 1073 Q C 2.241 178.264 176.000 0.038 0.000 0.970 1073 Q CA 1.625 57.476 55.803 0.079 0.000 0.855 1073 Q CB 0.053 28.836 28.738 0.075 0.000 0.911 1073 Q HN 0.551 nan 8.270 nan 0.000 0.438 1074 A N -0.819 122.005 122.820 0.006 0.000 1.911 1074 A HA -0.106 4.232 4.320 0.029 0.000 0.212 1074 A C 1.731 179.260 177.584 -0.091 0.000 1.189 1074 A CA 0.589 52.599 52.037 -0.046 0.000 0.639 1074 A CB -0.750 18.211 19.000 -0.065 0.000 0.839 1074 A HN 0.566 nan 8.150 nan 0.000 0.449 1075 Y N 1.885 122.029 120.300 -0.260 0.000 2.128 1075 Y HA -0.147 4.418 4.550 0.024 0.000 0.284 1075 Y C 0.698 176.540 175.900 -0.097 0.000 1.154 1075 Y CA 1.838 59.791 58.100 -0.245 0.000 1.149 1075 Y CB 0.085 38.386 38.460 -0.265 0.000 0.976 1075 Y HN 0.503 nan 8.280 nan 0.000 0.505 1076 E N 0.087 120.292 120.200 0.008 0.000 2.346 1076 E HA 0.430 4.797 4.350 0.029 0.000 0.239 1076 E C 0.307 176.906 176.600 -0.001 0.000 0.943 1076 E CA -0.337 56.049 56.400 -0.023 0.000 0.751 1076 E CB 0.853 30.619 29.700 0.110 0.000 1.241 1076 E HN 0.301 nan 8.360 nan 0.000 0.423 1077 G N 3.251 112.029 108.800 -0.037 0.000 2.527 1077 G HA2 -0.050 3.928 3.960 0.029 0.000 0.279 1077 G HA3 -0.050 3.928 3.960 0.029 0.000 0.279 1077 G C 0.180 175.080 174.900 0.001 0.000 1.374 1077 G CA -0.512 44.580 45.100 -0.014 0.000 1.053 1077 G HN 0.585 nan 8.290 nan 0.000 0.539 1078 N N -0.737 117.966 118.700 0.005 0.000 2.255 1078 N HA 0.086 4.843 4.740 0.029 0.000 0.260 1078 N C 1.789 177.302 175.510 0.005 0.000 1.288 1078 N CA 0.608 53.663 53.050 0.009 0.000 0.894 1078 N CB 0.100 38.593 38.487 0.010 0.000 1.033 1078 N HN 0.584 nan 8.380 nan 0.000 0.477 1079 M N -1.623 117.981 119.600 0.007 0.000 2.509 1079 M HA 0.200 4.697 4.480 0.029 0.000 0.250 1079 M C 0.654 176.956 176.300 0.002 0.000 1.132 1079 M CA 0.718 56.021 55.300 0.004 0.000 1.080 1079 M CB 0.318 32.922 32.600 0.007 0.000 1.408 1079 M HN 0.344 nan 8.290 nan 0.000 0.484 1080 M N 1.880 121.483 119.600 0.004 0.000 2.643 1080 M HA 0.263 4.761 4.480 0.029 0.000 0.209 1080 M C 1.159 177.460 176.300 0.002 0.000 1.328 1080 M CA 0.371 55.674 55.300 0.005 0.000 1.305 1080 M CB -0.641 31.964 32.600 0.009 0.000 1.048 1080 M HN 0.226 nan 8.290 nan 0.000 0.504 1081 V N 1.145 121.061 119.914 0.003 0.000 2.963 1081 V HA 0.318 4.455 4.120 0.029 0.000 0.306 1081 V C -0.316 175.771 176.094 -0.011 0.000 1.077 1081 V CA -0.382 61.918 62.300 -0.001 0.000 1.124 1081 V CB 0.415 32.240 31.823 0.003 0.000 0.987 1081 V HN 0.514 nan 8.190 nan 0.000 0.487 1082 R N 3.073 123.560 120.500 -0.022 0.000 2.539 1082 R HA 0.512 4.869 4.340 0.029 0.000 0.295 1082 R C 0.407 176.667 176.300 -0.066 0.000 1.138 1082 R CA -0.098 55.979 56.100 -0.038 0.000 0.936 1082 R CB 1.482 31.761 30.300 -0.035 0.000 1.182 1082 R HN 1.443 nan 8.270 nan 0.000 0.459 1083 G N 1.849 110.597 108.800 -0.085 0.000 2.956 1083 G HA2 -0.282 3.695 3.960 0.029 0.000 0.258 1083 G HA3 -0.282 3.695 3.960 0.029 0.000 0.258 1083 G C 0.729 175.503 174.900 -0.211 0.000 0.437 1083 G CA 0.095 45.102 45.100 -0.154 0.000 1.163 1083 G HN 0.829 nan 8.290 nan 0.000 0.231 1084 E N 1.702 121.753 120.200 -0.249 0.000 2.118 1084 E HA -0.145 4.222 4.350 0.029 0.000 0.195 1084 E C 2.714 179.085 176.600 -0.381 0.000 0.992 1084 E CA 1.208 57.464 56.400 -0.240 0.000 0.804 1084 E CB -0.386 29.170 29.700 -0.241 0.000 0.741 1084 E HN 0.686 nan 8.360 nan 0.000 0.458 1085 G N 0.974 109.249 108.800 -0.876 0.000 2.440 1085 G HA2 -0.284 3.693 3.960 0.029 0.000 0.218 1085 G HA3 -0.284 3.693 3.960 0.029 0.000 0.218 1085 G C 0.651 175.318 174.900 -0.388 0.000 1.154 1085 G CA 0.756 45.185 45.100 -1.118 0.000 0.767 1085 G HN 0.268 nan 8.290 nan 0.000 0.552 1086 D N 1.047 121.261 120.400 -0.311 0.000 2.422 1086 D HA 0.230 4.887 4.640 0.029 0.000 0.263 1086 D C -0.673 175.568 176.300 -0.098 0.000 1.334 1086 D CA 0.093 53.996 54.000 -0.162 0.000 1.105 1086 D CB -0.216 40.503 40.800 -0.134 0.000 1.107 1086 D HN 0.177 nan 8.370 nan 0.000 0.522 1087 D N 3.738 124.089 120.400 -0.082 0.000 2.614 1087 D HA -0.036 4.621 4.640 0.029 0.000 0.203 1087 D C 1.551 177.700 176.300 -0.253 0.000 1.312 1087 D CA -0.554 53.407 54.000 -0.064 0.000 0.889 1087 D CB 0.600 41.524 40.800 0.207 0.000 1.615 1087 D HN 0.308 nan 8.370 nan 0.000 0.567 1088 I N 0.601 120.867 120.570 -0.508 0.000 2.121 1088 I HA -0.301 3.886 4.170 0.029 0.000 0.243 1088 I C 1.850 177.433 176.117 -0.890 0.000 1.047 1088 I CA 1.197 62.013 61.300 -0.806 0.000 1.308 1088 I CB -0.806 36.498 38.000 -1.161 0.000 1.015 1088 I HN 0.402 nan 8.210 nan 0.000 0.410 1089 W N 0.529 121.454 121.300 -0.625 0.000 2.301 1089 W HA -0.252 4.426 4.660 0.030 0.000 0.325 1089 W C 2.723 178.786 176.519 -0.760 0.000 1.250 1089 W CA 1.203 58.050 57.345 -0.830 0.000 1.261 1089 W CB -1.210 27.789 29.460 -0.768 0.000 1.157 1089 W HN 0.109 nan 8.180 nan 0.000 0.473 1090 Y N 0.382 120.570 120.300 -0.188 0.000 2.242 1090 Y HA -0.234 4.331 4.550 0.026 0.000 0.291 1090 Y C 2.634 178.094 175.900 -0.732 0.000 1.137 1090 Y CA 1.220 59.025 58.100 -0.492 0.000 1.181 1090 Y CB -1.305 36.983 38.460 -0.286 0.000 0.989 1090 Y HN 0.010 nan 8.280 nan 0.000 0.527 1091 Q N 0.196 119.764 119.800 -0.386 0.000 2.112 1091 Q HA -0.224 4.134 4.340 0.029 0.000 0.206 1091 Q C 2.241 177.986 176.000 -0.424 0.000 0.987 1091 Q CA 1.243 56.816 55.803 -0.384 0.000 0.858 1091 Q CB -0.415 28.108 28.738 -0.359 0.000 0.905 1091 Q HN 0.410 nan 8.270 nan 0.000 0.420 1092 R N 0.402 120.580 120.500 -0.536 0.000 2.237 1092 R HA 0.005 4.362 4.340 0.029 0.000 0.219 1092 R C 2.194 178.303 176.300 -0.319 0.000 1.080 1092 R CA 0.437 56.246 56.100 -0.485 0.000 0.995 1092 R CB -0.055 29.850 30.300 -0.658 0.000 0.875 1092 R HN 0.296 nan 8.270 nan 0.000 0.462 1093 L N -1.376 119.660 121.223 -0.311 0.000 2.168 1093 L HA 0.026 4.383 4.340 0.029 0.000 0.203 1093 L C 0.193 177.156 176.870 0.155 0.000 1.078 1093 L CA 0.406 55.209 54.840 -0.061 0.000 0.780 1093 L CB -0.094 41.815 42.059 -0.249 0.000 0.939 1093 L HN 0.109 nan 8.230 nan 0.000 0.451 1094 W N -2.862 118.502 121.300 0.106 0.000 3.573 1094 W HA 0.470 5.139 4.660 0.014 0.000 0.306 1094 W C 0.164 176.731 176.519 0.079 0.000 1.227 1094 W CA -1.104 56.296 57.345 0.091 0.000 1.212 1094 W CB 0.581 30.105 29.460 0.106 0.000 1.331 1094 W HN -0.322 nan 8.180 nan 0.000 0.524 1095 R N 0.679 121.323 120.500 0.241 0.000 2.210 1095 R HA 0.023 4.381 4.340 0.029 0.000 0.203 1095 R C 0.414 176.863 176.300 0.247 0.000 1.010 1095 R CA 0.896 57.090 56.100 0.157 0.000 1.008 1095 R CB 0.265 30.614 30.300 0.082 0.000 0.923 1095 R HN 0.559 nan 8.270 nan 0.000 0.469 1096 Q N 0.433 120.424 119.800 0.318 0.000 2.372 1096 Q HA 0.207 4.564 4.340 0.029 0.000 0.273 1096 Q C -1.063 175.084 176.000 0.245 0.000 1.078 1096 Q CA -0.629 55.327 55.803 0.256 0.000 0.806 1096 Q CB 1.469 30.293 28.738 0.142 0.000 1.332 1096 Q HN 0.031 nan 8.270 nan 0.000 0.435 1097 L N 3.077 124.388 121.223 0.146 0.000 2.315 1097 L HA 0.281 4.639 4.340 0.029 0.000 0.283 1097 L C 0.122 176.892 176.870 -0.166 0.000 1.089 1097 L CA 0.027 54.790 54.840 -0.128 0.000 0.833 1097 L CB 1.148 43.047 42.059 -0.268 0.000 1.170 1097 L HN 0.968 nan 8.230 nan 0.000 0.442 1098 T N 2.479 116.877 114.554 -0.259 0.000 2.845 1098 T HA 0.334 4.701 4.350 0.029 0.000 0.288 1098 T C -1.315 173.249 174.700 -0.227 0.000 0.980 1098 T CA -1.812 60.175 62.100 -0.189 0.000 1.071 1098 T CB 1.601 70.370 68.868 -0.164 0.000 0.941 1098 T HN 0.473 nan 8.240 nan 0.000 0.487 1099 P HA -0.106 nan 4.420 nan 0.000 0.222 1099 P C 0.705 177.884 177.300 -0.202 0.000 1.142 1099 P CA 1.002 63.995 63.100 -0.179 0.000 0.788 1099 P CB 0.374 32.002 31.700 -0.121 0.000 0.767 1100 E N 0.260 120.348 120.200 -0.188 0.000 2.005 1100 E HA -0.100 4.267 4.350 0.029 0.000 0.191 1100 E C 2.243 178.701 176.600 -0.236 0.000 0.987 1100 E CA 2.125 58.419 56.400 -0.178 0.000 0.814 1100 E CB -1.562 28.056 29.700 -0.136 0.000 0.772 1100 E HN 0.311 nan 8.360 nan 0.000 0.453 1101 T N -0.780 113.590 114.554 -0.307 0.000 2.977 1101 T HA -0.168 4.199 4.350 0.029 0.000 0.271 1101 T C 1.839 176.284 174.700 -0.425 0.000 1.105 1101 T CA 1.277 63.131 62.100 -0.409 0.000 1.116 1101 T CB -0.191 68.262 68.868 -0.691 0.000 0.878 1101 T HN 0.088 nan 8.240 nan 0.000 0.509 1102 M N 0.741 120.097 119.600 -0.408 0.000 2.099 1102 M HA -0.032 4.466 4.480 0.029 0.000 0.262 1102 M C 2.396 178.432 176.300 -0.439 0.000 1.067 1102 M CA 1.611 56.650 55.300 -0.434 0.000 1.124 1102 M CB -0.145 32.172 32.600 -0.471 0.000 1.353 1102 M HN 0.224 nan 8.290 nan 0.000 0.410 1103 E N 0.249 120.229 120.200 -0.367 0.000 2.033 1103 E HA -0.242 4.126 4.350 0.029 0.000 0.199 1103 E C 1.966 178.406 176.600 -0.267 0.000 1.011 1103 E CA 1.522 57.723 56.400 -0.333 0.000 0.815 1103 E CB -0.284 29.276 29.700 -0.233 0.000 0.755 1103 E HN 0.673 nan 8.360 nan 0.000 0.451 1104 A N 1.090 123.790 122.820 -0.200 0.000 1.958 1104 A HA -0.240 4.097 4.320 0.029 0.000 0.221 1104 A C 2.135 179.668 177.584 -0.083 0.000 1.178 1104 A CA 1.489 53.454 52.037 -0.120 0.000 0.642 1104 A CB -0.743 18.192 19.000 -0.107 0.000 0.816 1104 A HN 0.238 nan 8.150 nan 0.000 0.453 1105 I N -0.900 119.598 120.570 -0.120 0.000 2.252 1105 I HA -0.196 3.991 4.170 0.029 0.000 0.245 1105 I C 2.329 178.427 176.117 -0.032 0.000 1.102 1105 I CA 1.089 62.385 61.300 -0.007 0.000 1.385 1105 I CB -0.318 37.722 38.000 0.067 0.000 1.064 1105 I HN 0.193 nan 8.210 nan 0.000 0.414 1106 V N 0.563 120.324 119.914 -0.255 0.000 2.231 1106 V HA -0.249 3.888 4.120 0.029 0.000 0.240 1106 V C 2.302 178.253 176.094 -0.239 0.000 1.039 1106 V CA 1.759 63.817 62.300 -0.402 0.000 0.998 1106 V CB -0.741 30.495 31.823 -0.978 0.000 0.639 1106 V HN 0.357 nan 8.190 nan 0.000 0.451 1107 E N -0.320 119.735 120.200 -0.241 0.000 2.113 1107 E HA -0.400 3.967 4.350 0.029 0.000 0.210 1107 E C 2.273 178.868 176.600 -0.008 0.000 1.040 1107 E CA 2.382 58.713 56.400 -0.115 0.000 0.847 1107 E CB -0.190 29.455 29.700 -0.092 0.000 0.755 1107 E HN 0.501 nan 8.360 nan 0.000 0.459 1108 Q N 0.146 119.974 119.800 0.046 0.000 2.046 1108 Q HA -0.114 4.244 4.340 0.029 0.000 0.200 1108 Q C 2.093 178.282 176.000 0.315 0.000 0.975 1108 Q CA 2.042 57.958 55.803 0.188 0.000 0.836 1108 Q CB -0.134 28.729 28.738 0.208 0.000 0.896 1108 Q HN 0.267 nan 8.270 nan 0.000 0.428 1109 S N -0.841 115.010 115.700 0.252 0.000 2.555 1109 S HA -0.102 4.385 4.470 0.029 0.000 0.230 1109 S C 1.714 176.484 174.600 0.283 0.000 0.978 1109 S CA 0.809 59.203 58.200 0.323 0.000 0.934 1109 S CB -0.043 63.322 63.200 0.276 0.000 0.766 1109 S HN 0.511 nan 8.310 nan 0.000 0.533 1110 Q N 1.341 121.250 119.800 0.182 0.000 2.297 1110 Q HA 0.148 4.506 4.340 0.029 0.000 0.203 1110 Q C 2.354 178.428 176.000 0.123 0.000 0.931 1110 Q CA 0.136 56.035 55.803 0.159 0.000 0.885 1110 Q CB -0.103 28.695 28.738 0.100 0.000 0.991 1110 Q HN 0.627 nan 8.270 nan 0.000 0.498 1111 R N -0.782 119.752 120.500 0.056 0.000 2.193 1111 R HA -0.106 4.251 4.340 0.029 0.000 0.229 1111 R C 0.619 176.752 176.300 -0.279 0.000 1.110 1111 R CA 1.289 57.301 56.100 -0.147 0.000 0.988 1111 R CB 0.113 30.237 30.300 -0.294 0.000 0.871 1111 R HN 0.276 nan 8.270 nan 0.000 0.458 1112 F N -1.134 118.940 119.950 0.207 0.000 2.667 1112 F HA 0.204 4.748 4.527 0.028 0.000 0.288 1112 F C 1.554 177.413 175.800 0.099 0.000 1.086 1112 F CA -0.149 57.974 58.000 0.204 0.000 1.297 1112 F CB 0.268 39.494 39.000 0.377 0.000 1.059 1112 F HN -0.145 nan 8.300 nan 0.000 0.624 1113 L N -0.131 121.280 121.223 0.313 0.000 2.558 1113 L HA 0.016 4.374 4.340 0.029 0.000 0.225 1113 L C 2.033 179.025 176.870 0.203 0.000 1.128 1113 L CA 0.124 55.092 54.840 0.214 0.000 0.868 1113 L CB -0.135 42.120 42.059 0.327 0.000 1.006 1113 L HN 0.188 nan 8.230 nan 0.000 0.454 1114 L N 1.748 123.073 121.223 0.170 0.000 2.027 1114 L HA -0.029 4.328 4.340 0.029 0.000 0.206 1114 L C -0.304 176.564 176.870 -0.003 0.000 1.074 1114 L CA 1.932 56.853 54.840 0.135 0.000 0.745 1114 L CB -1.371 40.755 42.059 0.111 0.000 0.898 1114 L HN 0.054 nan 8.230 nan 0.000 0.433 1115 P HA -0.239 nan 4.420 nan 0.000 0.217 1115 P C 2.043 178.937 177.300 -0.677 0.000 1.148 1115 P CA 1.712 64.655 63.100 -0.262 0.000 0.834 1115 P CB -0.124 31.369 31.700 -0.345 0.000 0.783 1116 L N -2.227 118.525 121.223 -0.786 0.000 2.042 1116 L HA -0.164 4.194 4.340 0.029 0.000 0.210 1116 L C 2.655 179.310 176.870 -0.359 0.000 1.076 1116 L CA 1.623 55.953 54.840 -0.850 0.000 0.749 1116 L CB -0.881 40.741 42.059 -0.728 0.000 0.893 1116 L HN -0.100 nan 8.230 nan 0.000 0.432 1117 F N -0.938 118.916 119.950 -0.160 0.000 2.387 1117 F HA 0.024 4.568 4.527 0.028 0.000 0.294 1117 F C 2.549 178.143 175.800 -0.343 0.000 1.093 1117 F CA 0.450 58.319 58.000 -0.219 0.000 1.420 1117 F CB -0.278 38.424 39.000 -0.496 0.000 1.086 1117 F HN -0.183 nan 8.300 nan 0.000 0.531 1118 R N -0.774 119.589 120.500 -0.229 0.000 2.285 1118 R HA -0.081 4.276 4.340 0.029 0.000 0.213 1118 R C 0.778 176.927 176.300 -0.252 0.000 1.068 1118 R CA 1.100 57.107 56.100 -0.155 0.000 1.004 1118 R CB -0.256 29.972 30.300 -0.119 0.000 0.873 1118 R HN 0.300 nan 8.270 nan 0.000 0.467 1119 F N -1.354 118.552 119.950 -0.073 0.000 2.784 1119 F HA 0.159 4.703 4.527 0.028 0.000 0.323 1119 F C 0.562 176.547 175.800 0.308 0.000 1.085 1119 F CA -0.879 57.144 58.000 0.038 0.000 1.196 1119 F CB 0.032 38.907 39.000 -0.208 0.000 1.053 1119 F HN -0.151 nan 8.300 nan 0.000 0.578 1120 N N 1.739 120.749 118.700 0.516 0.000 2.412 1120 N HA 0.177 4.934 4.740 0.029 0.000 0.254 1120 N C -0.015 175.628 175.510 0.221 0.000 1.232 1120 N CA 0.777 54.092 53.050 0.442 0.000 0.880 1120 N CB 0.305 38.923 38.487 0.219 0.000 1.076 1120 N HN 0.165 nan 8.380 nan 0.000 0.458 1121 Q N 0.000 119.877 119.800 0.128 0.000 2.315 1121 Q HA 0.000 4.357 4.340 0.029 0.000 0.214 1121 Q CA 0.000 55.850 55.803 0.079 0.000 1.022 1121 Q CB 0.000 28.762 28.738 0.039 0.000 1.108 1121 Q HN 0.000 nan 8.270 nan 0.000 0.481