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 2pmz_1_R DATA FIRST_RESID 5 DATA SEQUENCE LTIDERWRVI EAYFKSKGLV RQHLDSYNDF VRNKLQEIID EQGEIPTEIP DATA SEQUENCE GLKVRLGKIR IGKPRVRESD RGEREISPME ARLRNLTYAA PLWLTMIPVE DATA SEQUENCE NNIEAEPEEV YIGDLPIMLK SAIDPISQYT LDKLIEIGED PKDPGGYFIV DATA SEQUENCE NGSERVIVTQ EDLAPNRVLV DTGKTGSNIT HTAKIISSTA GYRVPVTIER DATA SEQUENCE LKDGTFHVSF PAVPGKIPFV ILMRALGILT DRDIVYAVSL DPEVQNELFP DATA SEQUENCE SLEQASSIAN VDDALDFIGS RVAIGQKREN RIEKAQQIID KYFLPHLGTS DATA SEQUENCE AEDRKKKAYY LAYAISKVIE LYLGRREPDD KDHYANKRLR LAGDLFASLF DATA SEQUENCE RVAFKAFVKD LTYQLEKSKV RGRKLALKAL VRPDIVTERI RHALATGNWV DATA SEQUENCE GGRTGVSQLL DRTNWLSMLS HLRRVISSLA RGQPNFEARD LHGTQWGRMC DATA SEQUENCE PFETPEGPNS GLVKNLALMA QIAVGINERI VEKTLYEMGV VPVEEVIXXX DATA SEQUENCE XXXXXXXXXX LKWSKVILNG RLIGYYQDGG ELANKIRERR RKGEISDEVN DATA SEQUENCE VGHIVTDFIN EVHVNCDSGR VRRPLIIVSN GNPLVTIEDI EKLESGAITF DATA SEQUENCE DDLVRQGKIE YLDAEEEENA YVALEPNDLT PDHTHLEIWS PAILGITASI DATA SEQUENCE IPYPEHNQSP RNTYQSAMAK QALGLYAANY QLRTDTRAHL LHYPQRPLVQ DATA SEQUENCE TRALDIIGYT NRPAGNNAIL AVMSFTGYNM EDSIIMNRSS VERGMYRSTF DATA SEQUENCE FRLYSTEEVK YPGGQEDKIV MPEAGVRGYK GKEYYRLLED NGVVSPEVEV DATA SEQUENCE KGGDVLIGKV SPPRXXXXXX XXXXXXAKRD TSIVTRHGEM GIVDLVLITE DATA SEQUENCE TAEGNKLVKV RVRDLRIPTI GDKFASRHGQ KGVIGMLIPQ VDMPYTVKGV DATA SEQUENCE VPDIILNPHA LPSRMTLGQI MEGIAGKYAA LSGNIVDATP FYKTPIEQLQ DATA SEQUENCE NEILRYGYLP DATEVVYDGR TGQKIKSRIY FGVVYYQKLH HMVADKLHAR DATA SEQUENCE ARGPVQILTR QPTEGRAREG GLRFGEMERD CLIGFGTAML LKDRLLDNSD DATA SEQUENCE RTMIYVCDQC GYIGWYDKNK NKYVCPIHGD KSNLFPVTVS YAFKLLIQEL DATA SEQUENCE MSMIISPRLV LEDKV 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.935 176.870 0.108 0.000 1.165 5 L CA 0.000 54.898 54.840 0.096 0.000 0.813 5 L CB 0.000 42.118 42.059 0.099 0.000 0.961 6 T N 1.891 116.522 114.554 0.129 0.000 2.678 6 T HA 0.774 5.126 4.350 0.003 0.000 0.260 6 T C 0.829 175.639 174.700 0.183 0.000 0.932 6 T CA -0.421 61.765 62.100 0.143 0.000 1.043 6 T CB 1.862 70.814 68.868 0.141 0.000 1.413 6 T HN 0.545 nan 8.240 nan 0.000 0.568 7 I N -0.141 120.550 120.570 0.201 0.000 4.338 7 I HA 0.177 4.349 4.170 0.003 0.000 0.315 7 I C 1.011 177.314 176.117 0.309 0.000 1.262 7 I CA 0.423 61.874 61.300 0.252 0.000 1.298 7 I CB -0.789 37.339 38.000 0.213 0.000 1.257 7 I HN 0.446 nan 8.210 nan 0.000 0.444 8 D N 1.156 121.714 120.400 0.262 0.000 2.289 8 D HA -0.111 4.531 4.640 0.003 0.000 0.207 8 D C 1.862 178.347 176.300 0.307 0.000 0.966 8 D CA 0.595 54.784 54.000 0.316 0.000 0.868 8 D CB 0.332 41.271 40.800 0.232 0.000 0.943 8 D HN 0.457 nan 8.370 nan 0.000 0.514 9 E N 1.644 121.989 120.200 0.241 0.000 1.999 9 E HA -0.245 4.107 4.350 0.003 0.000 0.194 9 E C 2.099 178.838 176.600 0.232 0.000 0.995 9 E CA 0.972 57.490 56.400 0.196 0.000 0.825 9 E CB 0.014 29.811 29.700 0.162 0.000 0.777 9 E HN 0.179 nan 8.360 nan 0.000 0.459 10 R N 0.282 120.945 120.500 0.273 0.000 2.140 10 R HA -0.226 4.117 4.340 0.003 0.000 0.250 10 R C 2.531 179.041 176.300 0.350 0.000 1.150 10 R CA 1.898 58.188 56.100 0.316 0.000 0.966 10 R CB -1.525 29.010 30.300 0.391 0.000 0.869 10 R HN 0.577 nan 8.270 nan 0.000 0.445 11 W N 1.735 123.121 121.300 0.144 0.000 2.333 11 W HA -0.183 4.479 4.660 0.003 0.000 0.316 11 W C 1.846 178.346 176.519 -0.031 0.000 1.215 11 W CA 0.939 58.280 57.345 -0.006 0.000 1.278 11 W CB -0.076 29.424 29.460 0.067 0.000 1.154 11 W HN 0.067 nan 8.180 nan 0.000 0.486 12 R N 0.326 120.815 120.500 -0.018 0.000 2.117 12 R HA -0.190 4.152 4.340 0.003 0.000 0.243 12 R C 1.880 178.092 176.300 -0.147 0.000 1.143 12 R CA 1.767 57.766 56.100 -0.167 0.000 0.968 12 R CB -1.600 28.696 30.300 -0.007 0.000 0.863 12 R HN 0.289 nan 8.270 nan 0.000 0.444 13 V N 1.720 121.623 119.914 -0.017 0.000 2.223 13 V HA -0.225 3.897 4.120 0.003 0.000 0.244 13 V C 2.473 178.569 176.094 0.003 0.000 1.045 13 V CA 1.892 64.244 62.300 0.087 0.000 1.000 13 V CB -0.793 31.136 31.823 0.176 0.000 0.635 13 V HN 0.230 nan 8.190 nan 0.000 0.445 14 I N 0.064 120.553 120.570 -0.135 0.000 2.185 14 I HA -0.346 3.826 4.170 0.003 0.000 0.246 14 I C 2.635 178.486 176.117 -0.443 0.000 1.088 14 I CA 2.426 63.507 61.300 -0.365 0.000 1.347 14 I CB -0.112 37.694 38.000 -0.324 0.000 1.041 14 I HN 0.554 nan 8.210 nan 0.000 0.415 15 E N 0.814 120.682 120.200 -0.554 0.000 2.023 15 E HA -0.276 4.076 4.350 0.003 0.000 0.196 15 E C 2.178 178.620 176.600 -0.264 0.000 1.003 15 E CA 1.526 57.614 56.400 -0.521 0.000 0.809 15 E CB -0.263 28.904 29.700 -0.888 0.000 0.755 15 E HN 0.622 nan 8.360 nan 0.000 0.449 16 A N 0.241 122.943 122.820 -0.196 0.000 2.032 16 A HA -0.241 4.081 4.320 0.003 0.000 0.221 16 A C 2.038 179.566 177.584 -0.093 0.000 1.165 16 A CA 1.747 53.737 52.037 -0.077 0.000 0.645 16 A CB -0.975 18.043 19.000 0.030 0.000 0.807 16 A HN 0.666 nan 8.150 nan 0.000 0.453 17 Y N -0.768 119.327 120.300 -0.342 0.000 2.200 17 Y HA -0.161 4.391 4.550 0.004 0.000 0.290 17 Y C 1.735 177.311 175.900 -0.540 0.000 1.137 17 Y CA 1.772 59.438 58.100 -0.723 0.000 1.163 17 Y CB -0.448 37.053 38.460 -1.599 0.000 0.988 17 Y HN 0.236 nan 8.280 nan 0.000 0.518 18 F N 1.009 120.616 119.950 -0.571 0.000 2.407 18 F HA 0.003 4.532 4.527 0.003 0.000 0.299 18 F C 2.344 177.921 175.800 -0.372 0.000 1.097 18 F CA 1.315 59.009 58.000 -0.510 0.000 1.422 18 F CB -0.537 38.297 39.000 -0.277 0.000 1.067 18 F HN 0.019 nan 8.300 nan 0.000 0.539 19 K N -0.168 120.150 120.400 -0.137 0.000 2.555 19 K HA -0.075 4.247 4.320 0.003 0.000 0.193 19 K C 1.734 178.255 176.600 -0.132 0.000 1.032 19 K CA 1.006 57.233 56.287 -0.100 0.000 1.004 19 K CB -0.085 32.367 32.500 -0.079 0.000 0.804 19 K HN 0.220 nan 8.250 nan 0.000 0.496 20 S N -0.597 114.955 115.700 -0.247 0.000 2.559 20 S HA 0.194 4.666 4.470 0.003 0.000 0.226 20 S C 0.526 174.955 174.600 -0.285 0.000 1.000 20 S CA -0.394 57.667 58.200 -0.231 0.000 0.948 20 S CB 0.308 63.389 63.200 -0.199 0.000 0.870 20 S HN 0.127 nan 8.310 nan 0.000 0.497 21 K N -0.480 119.721 120.400 -0.331 0.000 2.475 21 K HA 0.335 4.657 4.320 0.003 0.000 0.304 21 K C 1.259 177.811 176.600 -0.081 0.000 2.145 21 K CA 0.475 56.626 56.287 -0.225 0.000 1.121 21 K CB -1.117 31.187 32.500 -0.327 0.000 3.238 21 K HN 0.266 nan 8.250 nan 0.000 0.873 22 G N 3.840 112.664 108.800 0.040 0.000 2.698 22 G HA2 -0.374 3.588 3.960 0.003 0.000 0.337 22 G HA3 -0.374 3.588 3.960 0.003 0.000 0.337 22 G C 0.868 175.782 174.900 0.023 0.000 1.286 22 G CA 1.298 46.519 45.100 0.201 0.000 1.000 22 G HN 0.273 nan 8.290 nan 0.000 0.547 23 L N -1.801 119.389 121.223 -0.055 0.000 4.372 23 L HA -0.277 4.065 4.340 0.003 0.000 0.053 23 L C 1.398 178.219 176.870 -0.081 0.000 3.067 23 L CA 2.507 57.291 54.840 -0.092 0.000 1.685 23 L CB -1.900 40.117 42.059 -0.071 0.000 2.781 23 L HN 1.228 nan 8.230 nan 0.000 0.748 24 V N 0.461 120.334 119.914 -0.069 0.000 2.538 24 V HA 0.344 4.466 4.120 0.003 0.000 0.265 24 V C 0.389 176.468 176.094 -0.024 0.000 0.977 24 V CA -0.296 61.968 62.300 -0.061 0.000 0.852 24 V CB 1.312 33.069 31.823 -0.111 0.000 1.058 24 V HN 0.585 nan 8.190 nan 0.000 0.462 25 R N 1.201 121.710 120.500 0.016 0.000 2.566 25 R HA 0.203 4.545 4.340 0.003 0.000 0.388 25 R C 1.454 177.798 176.300 0.073 0.000 0.989 25 R CA -0.274 55.846 56.100 0.033 0.000 1.164 25 R CB 0.710 31.016 30.300 0.010 0.000 1.459 25 R HN 0.490 nan 8.270 nan 0.000 0.553 26 Q N -0.123 119.749 119.800 0.119 0.000 2.167 26 Q HA -0.119 4.223 4.340 0.003 0.000 0.202 26 Q C 0.873 176.940 176.000 0.111 0.000 0.970 26 Q CA 1.670 57.553 55.803 0.132 0.000 0.855 26 Q CB 0.014 28.866 28.738 0.191 0.000 0.911 26 Q HN 0.482 nan 8.270 nan 0.000 0.438 27 H N -0.098 118.965 119.070 -0.012 0.000 2.320 27 H HA 0.066 4.624 4.556 0.003 0.000 0.309 27 H C 2.013 177.354 175.328 0.021 0.000 1.057 27 H CA 0.610 56.651 56.048 -0.012 0.000 1.374 27 H CB -0.309 29.410 29.762 -0.071 0.000 1.421 27 H HN -0.002 nan 8.280 nan 0.000 0.532 28 L N 0.578 121.879 121.223 0.130 0.000 1.989 28 L HA -0.153 4.189 4.340 0.003 0.000 0.211 28 L C 0.545 177.473 176.870 0.098 0.000 1.071 28 L CA 1.603 56.511 54.840 0.115 0.000 0.749 28 L CB -0.537 41.552 42.059 0.049 0.000 0.890 28 L HN 0.208 nan 8.230 nan 0.000 0.431 29 D N -1.249 119.188 120.400 0.062 0.000 2.911 29 D HA 0.050 4.692 4.640 0.003 0.000 0.233 29 D C 1.248 177.573 176.300 0.042 0.000 1.134 29 D CA 0.750 54.773 54.000 0.039 0.000 1.011 29 D CB 0.047 40.863 40.800 0.027 0.000 1.174 29 D HN 0.248 nan 8.370 nan 0.000 0.440 30 S N -1.107 114.632 115.700 0.065 0.000 2.571 30 S HA -0.133 4.339 4.470 0.003 0.000 0.205 30 S C 1.041 175.724 174.600 0.138 0.000 0.865 30 S CA -0.414 57.827 58.200 0.068 0.000 1.315 30 S CB -0.853 62.359 63.200 0.020 0.000 0.952 30 S HN 0.218 nan 8.310 nan 0.000 0.363 31 Y N 3.463 123.773 120.300 0.016 0.000 2.243 31 Y HA 0.350 4.902 4.550 0.003 0.000 0.293 31 Y C 1.874 177.837 175.900 0.105 0.000 1.124 31 Y CA 2.084 60.201 58.100 0.028 0.000 1.159 31 Y CB -0.550 37.864 38.460 -0.077 0.000 1.008 31 Y HN 0.347 nan 8.280 nan 0.000 0.527 32 N N 0.754 119.441 118.700 -0.022 0.000 2.364 32 N HA -0.185 4.557 4.740 0.003 0.000 0.183 32 N C 1.608 177.060 175.510 -0.096 0.000 1.022 32 N CA 1.451 54.434 53.050 -0.111 0.000 0.883 32 N CB -0.517 37.954 38.487 -0.027 0.000 0.965 32 N HN 0.644 nan 8.380 nan 0.000 0.438 33 D N 0.397 120.779 120.400 -0.029 0.000 2.120 33 D HA -0.160 4.482 4.640 0.003 0.000 0.202 33 D C 1.767 178.034 176.300 -0.055 0.000 0.972 33 D CA 0.319 54.298 54.000 -0.035 0.000 0.837 33 D CB -0.370 40.432 40.800 0.004 0.000 0.989 33 D HN 0.185 nan 8.370 nan 0.000 0.469 34 F N 1.187 121.053 119.950 -0.140 0.000 2.323 34 F HA -0.200 4.329 4.527 0.003 0.000 0.301 34 F C 1.778 177.447 175.800 -0.220 0.000 1.060 34 F CA 1.575 59.492 58.000 -0.139 0.000 1.398 34 F CB 0.028 38.991 39.000 -0.062 0.000 1.075 34 F HN -0.012 nan 8.300 nan 0.000 0.540 35 V N -0.270 119.411 119.914 -0.388 0.000 3.612 35 V HA 0.206 4.328 4.120 0.003 0.000 0.268 35 V C 2.008 177.921 176.094 -0.302 0.000 1.365 35 V CA 0.484 62.514 62.300 -0.449 0.000 1.044 35 V CB -0.121 31.507 31.823 -0.326 0.000 0.820 35 V HN 0.365 nan 8.190 nan 0.000 0.444 36 R N -0.249 120.117 120.500 -0.224 0.000 2.206 36 R HA 0.167 4.509 4.340 0.003 0.000 0.198 36 R C 1.161 177.366 176.300 -0.158 0.000 0.986 36 R CA 1.010 57.011 56.100 -0.164 0.000 1.029 36 R CB 0.224 30.454 30.300 -0.117 0.000 0.966 36 R HN 0.499 nan 8.270 nan 0.000 0.487 37 N N -0.153 118.446 118.700 -0.168 0.000 2.419 37 N HA 0.024 4.766 4.740 0.003 0.000 0.216 37 N C 0.116 175.513 175.510 -0.189 0.000 1.118 37 N CA 0.177 53.138 53.050 -0.148 0.000 0.850 37 N CB 0.871 39.295 38.487 -0.106 0.000 1.292 37 N HN -0.048 nan 8.380 nan 0.000 0.467 38 K N 0.429 120.679 120.400 -0.249 0.000 2.399 38 K HA 0.362 4.684 4.320 0.003 0.000 0.247 38 K C 0.836 177.126 176.600 -0.517 0.000 1.036 38 K CA -0.371 55.719 56.287 -0.329 0.000 0.977 38 K CB 0.601 32.919 32.500 -0.302 0.000 1.272 38 K HN -0.118 nan 8.250 nan 0.000 0.501 39 L N -0.507 120.328 121.223 -0.646 0.000 2.848 39 L HA -0.421 3.921 4.340 0.003 0.000 0.400 39 L C 1.635 178.156 176.870 -0.581 0.000 2.308 39 L CA 2.779 57.111 54.840 -0.846 0.000 2.916 39 L CB -1.544 39.903 42.059 -1.019 0.000 1.824 39 L HN 0.861 nan 8.230 nan 0.000 0.807 40 Q N 0.003 119.545 119.800 -0.430 0.000 2.170 40 Q HA -0.177 4.165 4.340 0.003 0.000 0.203 40 Q C 1.849 177.698 176.000 -0.251 0.000 0.976 40 Q CA 2.380 58.002 55.803 -0.302 0.000 0.858 40 Q CB -0.140 28.458 28.738 -0.233 0.000 0.907 40 Q HN 0.731 nan 8.270 nan 0.000 0.433 41 E N -0.392 119.658 120.200 -0.249 0.000 2.110 41 E HA -0.170 4.182 4.350 0.003 0.000 0.193 41 E C 1.737 178.235 176.600 -0.171 0.000 0.988 41 E CA 1.406 57.698 56.400 -0.180 0.000 0.804 41 E CB -0.129 29.474 29.700 -0.162 0.000 0.745 41 E HN 0.511 nan 8.360 nan 0.000 0.458 42 I N 0.864 121.290 120.570 -0.239 0.000 2.928 42 I HA -0.124 4.049 4.170 0.003 0.000 0.266 42 I C 1.205 177.191 176.117 -0.218 0.000 1.234 42 I CA 0.300 61.480 61.300 -0.199 0.000 1.483 42 I CB 0.121 37.971 38.000 -0.250 0.000 1.097 42 I HN 0.060 nan 8.210 nan 0.000 0.455 43 I N 1.421 121.819 120.570 -0.285 0.000 3.832 43 I HA 0.069 4.241 4.170 0.003 0.000 0.324 43 I C -0.308 175.765 176.117 -0.074 0.000 1.447 43 I CA 0.640 61.791 61.300 -0.248 0.000 1.242 43 I CB -1.096 36.735 38.000 -0.282 0.000 1.212 43 I HN 0.096 nan 8.210 nan 0.000 0.415 44 D N 0.800 121.170 120.400 -0.049 0.000 2.886 44 D HA 0.116 4.758 4.640 0.003 0.000 0.355 44 D C 1.319 177.619 176.300 0.001 0.000 1.274 44 D CA 0.081 54.067 54.000 -0.024 0.000 0.836 44 D CB 0.531 41.297 40.800 -0.056 0.000 1.109 44 D HN 0.480 nan 8.370 nan 0.000 0.488 45 E N -0.425 119.810 120.200 0.060 0.000 2.447 45 E HA 0.111 4.463 4.350 0.003 0.000 0.204 45 E C 0.173 176.810 176.600 0.060 0.000 0.977 45 E CA -0.071 56.366 56.400 0.062 0.000 0.950 45 E CB 0.555 30.343 29.700 0.146 0.000 0.975 45 E HN 0.029 nan 8.360 nan 0.000 0.496 46 Q N -0.338 119.512 119.800 0.082 0.000 0.299 46 Q HA -0.134 4.208 4.340 0.003 0.000 0.287 46 Q C 0.179 176.231 176.000 0.086 0.000 1.090 46 Q CA 0.275 56.121 55.803 0.072 0.000 0.220 46 Q CB -1.256 27.503 28.738 0.034 0.000 5.642 46 Q HN 0.583 nan 8.270 nan 0.000 0.295 47 G N 1.393 110.234 108.800 0.069 0.000 2.869 47 G HA2 -0.145 3.817 3.960 0.003 0.000 0.261 47 G HA3 -0.145 3.817 3.960 0.003 0.000 0.261 47 G C -0.197 174.741 174.900 0.062 0.000 0.468 47 G CA 0.194 45.333 45.100 0.064 0.000 1.141 47 G HN 0.356 nan 8.290 nan 0.000 0.235 48 E N 1.516 121.750 120.200 0.057 0.000 2.392 48 E HA 0.117 4.469 4.350 0.003 0.000 0.264 48 E C 1.403 178.019 176.600 0.027 0.000 1.024 48 E CA -0.298 56.124 56.400 0.037 0.000 0.903 48 E CB 0.617 30.327 29.700 0.017 0.000 0.963 48 E HN 0.452 nan 8.360 nan 0.000 0.432 49 I N 4.250 124.834 120.570 0.023 0.000 2.993 49 I HA -0.154 4.018 4.170 0.003 0.000 0.301 49 I C -1.216 174.911 176.117 0.016 0.000 1.229 49 I CA -0.429 60.884 61.300 0.022 0.000 1.435 49 I CB -0.110 37.903 38.000 0.022 0.000 1.328 49 I HN 0.450 nan 8.210 nan 0.000 0.584 50 P HA 0.113 nan 4.420 nan 0.000 0.187 50 P C 0.265 177.571 177.300 0.009 0.000 1.067 50 P CA 0.697 63.804 63.100 0.012 0.000 0.882 50 P CB 0.538 32.246 31.700 0.014 0.000 0.734 51 T N -0.725 113.834 114.554 0.008 0.000 5.155 51 T HA -0.062 4.290 4.350 0.003 0.000 0.277 51 T C -0.344 174.358 174.700 0.003 0.000 1.935 51 T CA 0.509 62.612 62.100 0.005 0.000 3.323 51 T CB -1.970 66.898 68.868 0.000 0.000 1.185 51 T HN 0.259 nan 8.240 nan 0.000 1.032 52 E N 0.867 121.071 120.200 0.005 0.000 2.141 52 E HA 0.417 4.769 4.350 0.003 0.000 0.259 52 E C 1.482 178.086 176.600 0.005 0.000 0.883 52 E CA -0.899 55.504 56.400 0.005 0.000 0.744 52 E CB 0.657 30.360 29.700 0.006 0.000 1.150 52 E HN 0.138 nan 8.360 nan 0.000 0.420 53 I N 2.537 123.110 120.570 0.004 0.000 2.103 53 I HA -0.206 3.966 4.170 0.003 0.000 0.241 53 I C -0.846 175.274 176.117 0.005 0.000 1.036 53 I CA 1.460 62.763 61.300 0.004 0.000 1.300 53 I CB -2.101 35.901 38.000 0.003 0.000 1.010 53 I HN 0.319 nan 8.210 nan 0.000 0.406 54 P HA 0.114 nan 4.420 nan 0.000 0.279 54 P C 0.261 177.566 177.300 0.008 0.000 1.318 54 P CA 0.023 63.127 63.100 0.006 0.000 0.819 54 P CB 0.228 31.931 31.700 0.006 0.000 0.927 55 G N 4.079 112.884 108.800 0.008 0.000 2.851 55 G HA2 -0.059 3.903 3.960 0.003 0.000 0.313 55 G HA3 -0.059 3.903 3.960 0.003 0.000 0.313 55 G C -0.131 174.775 174.900 0.011 0.000 0.375 55 G CA -0.048 45.058 45.100 0.010 0.000 1.254 55 G HN 0.586 nan 8.290 nan 0.000 0.220 56 L N 2.390 123.620 121.223 0.012 0.000 2.337 56 L HA 0.622 4.964 4.340 0.003 0.000 0.269 56 L C -0.102 176.777 176.870 0.015 0.000 1.018 56 L CA -0.586 54.261 54.840 0.012 0.000 0.876 56 L CB 0.531 42.596 42.059 0.010 0.000 1.236 56 L HN 0.438 nan 8.230 nan 0.000 0.436 57 K N 3.151 123.562 120.400 0.018 0.000 2.512 57 K HA 0.751 5.073 4.320 0.003 0.000 0.263 57 K C -1.538 175.079 176.600 0.028 0.000 0.966 57 K CA -1.041 55.259 56.287 0.022 0.000 0.851 57 K CB 2.798 35.312 32.500 0.023 0.000 1.395 57 K HN 0.112 nan 8.250 nan 0.000 0.440 58 V N 2.036 121.971 119.914 0.035 0.000 2.378 58 V HA 0.371 4.493 4.120 0.003 0.000 0.288 58 V C -0.341 175.787 176.094 0.057 0.000 1.016 58 V CA -0.864 61.464 62.300 0.046 0.000 0.840 58 V CB 1.146 33.001 31.823 0.053 0.000 0.994 58 V HN 0.582 nan 8.190 nan 0.000 0.431 59 R N 4.341 124.872 120.500 0.051 0.000 2.265 59 R HA 0.524 4.866 4.340 0.003 0.000 0.314 59 R C -0.805 175.533 176.300 0.063 0.000 1.053 59 R CA -0.512 55.619 56.100 0.051 0.000 0.931 59 R CB 1.087 31.408 30.300 0.035 0.000 1.024 59 R HN 0.589 nan 8.270 nan 0.000 0.457 60 L N 2.964 124.233 121.223 0.076 0.000 2.313 60 L HA 0.228 4.570 4.340 0.003 0.000 0.282 60 L C 1.206 178.104 176.870 0.047 0.000 1.092 60 L CA -0.176 54.717 54.840 0.088 0.000 0.831 60 L CB 1.164 43.303 42.059 0.134 0.000 1.159 60 L HN 0.777 nan 8.230 nan 0.000 0.442 61 G N 3.587 112.409 108.800 0.036 0.000 2.666 61 G HA2 0.282 4.244 3.960 0.003 0.000 0.207 61 G HA3 0.282 4.244 3.960 0.003 0.000 0.207 61 G C -0.336 174.547 174.900 -0.029 0.000 1.481 61 G CA -0.630 44.469 45.100 -0.002 0.000 1.071 61 G HN 0.482 nan 8.290 nan 0.000 0.572 62 K N -0.688 119.672 120.400 -0.067 0.000 2.144 62 K HA 0.420 4.742 4.320 0.003 0.000 0.270 62 K C -1.144 175.390 176.600 -0.109 0.000 1.005 62 K CA -0.269 55.954 56.287 -0.106 0.000 0.932 62 K CB 1.482 33.896 32.500 -0.144 0.000 1.021 62 K HN 0.077 nan 8.250 nan 0.000 0.462 63 I N 3.489 123.989 120.570 -0.117 0.000 2.389 63 I HA 0.253 4.425 4.170 0.003 0.000 0.288 63 I C -0.127 175.930 176.117 -0.100 0.000 0.999 63 I CA -0.626 60.629 61.300 -0.076 0.000 1.129 63 I CB 1.129 39.080 38.000 -0.082 0.000 1.288 63 I HN 0.413 nan 8.210 nan 0.000 0.444 64 R N 5.637 126.108 120.500 -0.049 0.000 2.856 64 R HA 0.758 5.100 4.340 0.003 0.000 0.258 64 R C -0.347 176.114 176.300 0.268 0.000 1.066 64 R CA -0.881 55.209 56.100 -0.017 0.000 1.045 64 R CB 0.653 30.777 30.300 -0.294 0.000 1.178 64 R HN 0.302 nan 8.270 nan 0.000 0.499 65 I N -0.862 119.836 120.570 0.214 0.000 3.932 65 I HA 0.694 4.866 4.170 0.003 0.000 0.256 65 I C 1.200 177.471 176.117 0.257 0.000 1.408 65 I CA -0.525 60.889 61.300 0.191 0.000 0.882 65 I CB 0.709 38.777 38.000 0.114 0.000 1.657 65 I HN 0.771 nan 8.210 nan 0.000 0.733 66 G N -0.773 108.127 108.800 0.166 0.000 2.870 66 G HA2 0.627 4.589 3.960 0.003 0.000 0.299 66 G HA3 0.627 4.589 3.960 0.003 0.000 0.299 66 G C -1.347 173.613 174.900 0.101 0.000 1.324 66 G CA -0.823 44.362 45.100 0.142 0.000 0.808 66 G HN 0.406 nan 8.290 nan 0.000 0.535 67 K N 0.764 121.203 120.400 0.065 0.000 2.132 67 K HA 0.459 4.782 4.320 0.003 0.000 0.241 67 K C -2.368 174.214 176.600 -0.030 0.000 1.000 67 K CA -1.616 54.690 56.287 0.032 0.000 0.911 67 K CB 1.644 34.165 32.500 0.035 0.000 1.093 67 K HN 0.249 nan 8.250 nan 0.000 0.460 68 P HA 0.042 nan 4.420 nan 0.000 0.269 68 P C -0.979 176.209 177.300 -0.187 0.000 1.252 68 P CA 0.436 63.368 63.100 -0.280 0.000 0.780 68 P CB 0.590 31.954 31.700 -0.559 0.000 0.829 69 R N 1.818 122.237 120.500 -0.135 0.000 3.006 69 R HA 0.812 5.154 4.340 0.003 0.000 0.235 69 R C -0.153 176.110 176.300 -0.062 0.000 1.362 69 R CA -1.114 54.938 56.100 -0.081 0.000 1.067 69 R CB 1.868 32.134 30.300 -0.056 0.000 1.396 69 R HN 0.347 nan 8.270 nan 0.000 0.504 70 V N -2.803 117.088 119.914 -0.038 0.000 3.225 70 V HA 0.534 4.656 4.120 0.003 0.000 0.293 70 V C -0.936 175.150 176.094 -0.015 0.000 1.405 70 V CA -1.290 61.000 62.300 -0.017 0.000 1.038 70 V CB 1.781 33.600 31.823 -0.005 0.000 1.123 70 V HN 0.893 nan 8.190 nan 0.000 0.447 71 R N 1.107 121.604 120.500 -0.005 0.000 1.470 71 R HA -0.137 4.205 4.340 0.003 0.000 0.398 71 R C -0.436 175.853 176.300 -0.017 0.000 1.311 71 R CA 1.346 57.441 56.100 -0.007 0.000 1.214 71 R CB -0.392 29.904 30.300 -0.007 0.000 3.485 71 R HN 1.296 nan 8.270 nan 0.000 0.483 72 E N 2.768 122.959 120.200 -0.014 0.000 2.410 72 E HA 0.520 4.872 4.350 0.003 0.000 0.269 72 E C -0.584 176.005 176.600 -0.018 0.000 0.937 72 E CA -0.529 55.858 56.400 -0.022 0.000 0.793 72 E CB 1.432 31.122 29.700 -0.018 0.000 1.314 72 E HN 0.786 nan 8.360 nan 0.000 0.447 73 S N 0.300 115.986 115.700 -0.022 0.000 3.477 73 S HA -0.244 4.228 4.470 0.003 0.000 0.371 73 S C 0.147 174.738 174.600 -0.014 0.000 0.965 73 S CA 1.257 59.446 58.200 -0.017 0.000 1.239 73 S CB -1.529 61.664 63.200 -0.012 0.000 0.918 73 S HN 0.843 nan 8.310 nan 0.000 0.498 74 D N 0.349 120.739 120.400 -0.017 0.000 2.520 74 D HA -0.039 4.604 4.640 0.003 0.000 0.386 74 D C -0.523 175.767 176.300 -0.016 0.000 1.267 74 D CA -0.024 53.968 54.000 -0.013 0.000 0.958 74 D CB 0.233 41.028 40.800 -0.010 0.000 1.462 74 D HN 0.394 nan 8.370 nan 0.000 0.438 75 R N 0.110 120.596 120.500 -0.023 0.000 2.717 75 R HA -0.111 4.231 4.340 0.003 0.000 0.298 75 R C 0.507 176.791 176.300 -0.026 0.000 0.971 75 R CA 1.028 57.111 56.100 -0.028 0.000 0.773 75 R CB -2.570 27.716 30.300 -0.023 0.000 2.073 75 R HN 0.408 nan 8.270 nan 0.000 0.494 76 G N 0.384 109.164 108.800 -0.033 0.000 2.509 76 G HA2 0.129 4.091 3.960 0.003 0.000 0.168 76 G HA3 0.129 4.091 3.960 0.003 0.000 0.168 76 G C -0.426 174.450 174.900 -0.039 0.000 1.415 76 G CA -0.066 45.016 45.100 -0.029 0.000 0.686 76 G HN 0.302 nan 8.290 nan 0.000 0.677 77 E N 0.539 120.710 120.200 -0.048 0.000 2.230 77 E HA -0.171 4.181 4.350 0.003 0.000 0.206 77 E C 0.047 176.618 176.600 -0.048 0.000 1.309 77 E CA 0.639 57.001 56.400 -0.063 0.000 0.697 77 E CB -0.756 28.891 29.700 -0.089 0.000 1.146 77 E HN 0.507 nan 8.360 nan 0.000 0.363 78 R N 0.676 121.155 120.500 -0.035 0.000 2.514 78 R HA 0.270 4.612 4.340 0.003 0.000 0.301 78 R C -0.096 176.188 176.300 -0.027 0.000 0.962 78 R CA -0.576 55.509 56.100 -0.025 0.000 0.882 78 R CB 1.073 31.364 30.300 -0.015 0.000 1.143 78 R HN 0.035 nan 8.270 nan 0.000 0.452 79 E N 4.318 124.506 120.200 -0.021 0.000 2.338 79 E HA 0.146 4.498 4.350 0.003 0.000 0.272 79 E C 0.022 176.612 176.600 -0.017 0.000 1.029 79 E CA -0.122 56.263 56.400 -0.026 0.000 0.872 79 E CB 0.857 30.552 29.700 -0.008 0.000 1.015 79 E HN 0.419 nan 8.360 nan 0.000 0.417 80 I N -1.305 119.241 120.570 -0.041 0.000 2.822 80 I HA 0.536 4.709 4.170 0.003 0.000 0.312 80 I C -0.053 176.088 176.117 0.041 0.000 1.011 80 I CA -0.955 60.344 61.300 -0.003 0.000 1.105 80 I CB 1.923 39.920 38.000 -0.005 0.000 1.291 80 I HN 0.238 nan 8.210 nan 0.000 0.474 81 S N 2.939 118.700 115.700 0.102 0.000 2.475 81 S HA 0.483 4.955 4.470 0.003 0.000 0.298 81 S C -1.464 173.276 174.600 0.233 0.000 1.119 81 S CA -1.883 56.397 58.200 0.132 0.000 1.085 81 S CB 1.358 64.596 63.200 0.063 0.000 1.028 81 S HN 0.622 nan 8.310 nan 0.000 0.489 82 P HA -0.158 nan 4.420 nan 0.000 0.216 82 P C 1.211 178.517 177.300 0.010 0.000 1.154 82 P CA 1.231 64.344 63.100 0.022 0.000 0.865 82 P CB 0.030 31.595 31.700 -0.225 0.000 0.789 83 M N -0.744 118.864 119.600 0.013 0.000 2.691 83 M HA 0.020 4.502 4.480 0.003 0.000 0.227 83 M C 1.454 177.774 176.300 0.033 0.000 1.120 83 M CA 0.859 56.165 55.300 0.010 0.000 1.034 83 M CB -1.005 31.588 32.600 -0.011 0.000 1.675 83 M HN 0.050 nan 8.290 nan 0.000 0.514 84 E N -0.891 119.350 120.200 0.069 0.000 2.280 84 E HA 0.144 4.496 4.350 0.003 0.000 0.197 84 E C 1.720 178.375 176.600 0.092 0.000 0.913 84 E CA 0.474 56.918 56.400 0.072 0.000 0.995 84 E CB 0.155 29.902 29.700 0.078 0.000 0.991 84 E HN 0.392 nan 8.360 nan 0.000 0.484 85 A N 1.618 124.529 122.820 0.151 0.000 2.139 85 A HA -0.203 4.119 4.320 0.003 0.000 0.221 85 A C 1.948 179.599 177.584 0.111 0.000 1.159 85 A CA 1.310 53.447 52.037 0.167 0.000 0.662 85 A CB -0.401 18.789 19.000 0.316 0.000 0.796 85 A HN 0.075 nan 8.150 nan 0.000 0.463 86 R N -1.187 119.361 120.500 0.080 0.000 2.090 86 R HA 0.222 4.564 4.340 0.003 0.000 0.219 86 R C 1.819 178.147 176.300 0.045 0.000 1.100 86 R CA 0.871 57.004 56.100 0.054 0.000 0.991 86 R CB -0.299 30.024 30.300 0.038 0.000 0.893 86 R HN 0.459 nan 8.270 nan 0.000 0.443 87 L N 0.345 121.593 121.223 0.042 0.000 2.291 87 L HA -0.013 4.329 4.340 0.003 0.000 0.214 87 L C 2.209 179.102 176.870 0.039 0.000 1.120 87 L CA 0.800 55.660 54.840 0.033 0.000 0.799 87 L CB -0.052 42.022 42.059 0.025 0.000 0.925 87 L HN 0.065 nan 8.230 nan 0.000 0.446 88 R N 0.076 120.605 120.500 0.049 0.000 2.300 88 R HA 0.094 4.436 4.340 0.003 0.000 0.199 88 R C 0.144 176.475 176.300 0.052 0.000 0.920 88 R CA 0.049 56.179 56.100 0.049 0.000 1.046 88 R CB -0.188 30.145 30.300 0.054 0.000 0.984 88 R HN 0.420 nan 8.270 nan 0.000 0.493 89 N N 0.563 119.297 118.700 0.057 0.000 2.735 89 N HA -0.214 4.529 4.740 0.003 0.000 0.248 89 N C -1.137 174.413 175.510 0.067 0.000 1.083 89 N CA -0.021 53.064 53.050 0.057 0.000 0.703 89 N CB -0.630 37.885 38.487 0.047 0.000 1.005 89 N HN -0.023 nan 8.380 nan 0.000 0.550 90 L N -0.517 120.756 121.223 0.083 0.000 2.344 90 L HA 0.299 4.641 4.340 0.003 0.000 0.272 90 L C 1.819 178.768 176.870 0.131 0.000 1.035 90 L CA 0.019 54.915 54.840 0.094 0.000 0.807 90 L CB 1.343 43.454 42.059 0.088 0.000 1.237 90 L HN -0.027 nan 8.230 nan 0.000 0.442 91 T N 0.731 115.362 114.554 0.128 0.000 2.881 91 T HA -0.181 4.171 4.350 0.003 0.000 0.270 91 T C -0.048 174.815 174.700 0.271 0.000 1.068 91 T CA 1.007 63.205 62.100 0.165 0.000 1.131 91 T CB -0.509 68.436 68.868 0.129 0.000 0.871 91 T HN 0.499 nan 8.240 nan 0.000 0.479 92 Y N 0.377 120.724 120.300 0.077 0.000 2.908 92 Y HA -0.149 4.403 4.550 0.003 0.000 0.107 92 Y C 0.150 176.117 175.900 0.111 0.000 1.948 92 Y CA -0.321 57.828 58.100 0.082 0.000 1.029 92 Y CB -1.257 37.250 38.460 0.077 0.000 1.668 92 Y HN 0.347 nan 8.280 nan 0.000 0.326 93 A N 3.067 125.881 122.820 -0.010 0.000 3.120 93 A HA 1.072 5.394 4.320 0.003 0.000 0.213 93 A C -0.377 177.193 177.584 -0.023 0.000 1.202 93 A CA -0.319 51.758 52.037 0.066 0.000 0.876 93 A CB 1.137 20.201 19.000 0.106 0.000 1.456 93 A HN 1.808 nan 8.150 nan 0.000 0.530 94 A N -0.422 122.439 122.820 0.069 0.000 2.589 94 A HA 0.782 5.104 4.320 0.003 0.000 0.296 94 A C -3.242 174.407 177.584 0.109 0.000 1.062 94 A CA -1.319 50.759 52.037 0.069 0.000 0.686 94 A CB 1.533 20.600 19.000 0.112 0.000 1.282 94 A HN 0.508 nan 8.150 nan 0.000 0.404 95 P HA 0.503 nan 4.420 nan 0.000 0.286 95 P C -0.973 176.406 177.300 0.133 0.000 1.261 95 P CA -0.316 62.897 63.100 0.187 0.000 0.821 95 P CB 1.133 32.978 31.700 0.242 0.000 1.013 96 L N 2.938 124.200 121.223 0.065 0.000 2.272 96 L HA 0.248 4.590 4.340 0.003 0.000 0.289 96 L C 1.300 177.808 176.870 -0.603 0.000 1.032 96 L CA -0.624 54.153 54.840 -0.105 0.000 0.810 96 L CB 0.735 42.816 42.059 0.036 0.000 1.205 96 L HN 0.507 nan 8.230 nan 0.000 0.422 97 W N 3.469 124.313 121.300 -0.760 0.000 1.647 97 W HA -0.023 4.640 4.660 0.005 0.000 0.280 97 W C 0.633 176.854 176.519 -0.496 0.000 0.889 97 W CA 0.634 57.406 57.345 -0.956 0.000 0.967 97 W CB 0.113 29.324 29.460 -0.414 0.000 1.083 97 W HN 0.271 nan 8.180 nan 0.000 0.513 98 L N 0.778 122.070 121.223 0.115 0.000 2.492 98 L HA -0.173 4.169 4.340 0.003 0.000 0.539 98 L C -1.174 175.781 176.870 0.141 0.000 1.002 98 L CA 0.605 55.495 54.840 0.084 0.000 1.255 98 L CB -1.348 40.762 42.059 0.085 0.000 1.655 98 L HN 0.266 nan 8.230 nan 0.000 0.843 99 T N 8.157 122.767 114.554 0.094 0.000 2.853 99 T HA 0.557 4.909 4.350 0.003 0.000 0.317 99 T C 0.632 175.390 174.700 0.096 0.000 1.059 99 T CA -0.319 61.842 62.100 0.102 0.000 0.954 99 T CB 0.354 69.239 68.868 0.029 0.000 0.994 99 T HN 0.476 nan 8.240 nan 0.000 0.479 100 M N 3.064 122.739 119.600 0.126 0.000 2.283 100 M HA 0.554 5.036 4.480 0.003 0.000 0.314 100 M C -0.171 176.181 176.300 0.087 0.000 1.153 100 M CA -0.433 54.936 55.300 0.115 0.000 1.084 100 M CB 1.125 33.808 32.600 0.139 0.000 1.468 100 M HN 0.375 nan 8.290 nan 0.000 0.474 101 I N 2.898 123.510 120.570 0.071 0.000 2.540 101 I HA 0.284 4.457 4.170 0.003 0.000 0.280 101 I C -2.236 173.910 176.117 0.048 0.000 1.083 101 I CA -1.875 59.457 61.300 0.054 0.000 1.080 101 I CB 1.698 39.723 38.000 0.041 0.000 1.205 101 I HN 0.364 nan 8.210 nan 0.000 0.459 102 P HA 0.051 nan 4.420 nan 0.000 0.270 102 P C -0.428 176.890 177.300 0.030 0.000 1.227 102 P CA 0.065 63.188 63.100 0.038 0.000 0.788 102 P CB 1.401 33.123 31.700 0.035 0.000 0.926 103 V N 0.377 120.306 119.914 0.026 0.000 3.020 103 V HA 0.099 4.221 4.120 0.003 0.000 0.275 103 V C 0.544 176.649 176.094 0.017 0.000 0.868 103 V CA -0.184 62.129 62.300 0.021 0.000 1.087 103 V CB 0.253 32.089 31.823 0.021 0.000 0.954 103 V HN 0.458 nan 8.190 nan 0.000 0.495 104 E N 2.228 122.437 120.200 0.016 0.000 2.322 104 E HA 0.173 4.525 4.350 0.003 0.000 0.195 104 E C 1.017 177.624 176.600 0.011 0.000 1.198 104 E CA 0.038 56.446 56.400 0.013 0.000 1.132 104 E CB -0.024 29.684 29.700 0.012 0.000 1.213 104 E HN 0.649 nan 8.360 nan 0.000 0.450 105 N N 0.239 118.946 118.700 0.012 0.000 2.461 105 N HA -0.091 4.651 4.740 0.003 0.000 0.310 105 N C -1.317 174.199 175.510 0.010 0.000 1.651 105 N CA 0.383 53.440 53.050 0.010 0.000 3.277 105 N CB -0.057 38.435 38.487 0.009 0.000 1.525 105 N HN 0.369 nan 8.380 nan 0.000 1.133 106 N N 0.551 119.258 118.700 0.012 0.000 2.935 106 N HA 0.161 4.903 4.740 0.003 0.000 0.248 106 N C -0.829 174.689 175.510 0.013 0.000 1.276 106 N CA -0.472 52.585 53.050 0.011 0.000 0.906 106 N CB 1.050 39.543 38.487 0.010 0.000 1.564 106 N HN 0.095 nan 8.380 nan 0.000 0.500 107 I N 0.921 121.499 120.570 0.013 0.000 2.906 107 I HA -0.187 3.985 4.170 0.003 0.000 0.302 107 I C 0.029 176.156 176.117 0.016 0.000 1.220 107 I CA 1.152 62.461 61.300 0.015 0.000 1.441 107 I CB 0.085 38.093 38.000 0.013 0.000 1.336 107 I HN 0.770 nan 8.210 nan 0.000 0.565 108 E N 5.490 125.702 120.200 0.019 0.000 2.166 108 E HA 0.723 5.075 4.350 0.003 0.000 0.223 108 E C 0.326 176.941 176.600 0.025 0.000 1.174 108 E CA -0.072 56.340 56.400 0.020 0.000 0.901 108 E CB -0.334 29.377 29.700 0.019 0.000 1.893 108 E HN 0.605 nan 8.360 nan 0.000 0.487 109 A N -0.194 122.641 122.820 0.026 0.000 2.542 109 A HA -0.460 3.862 4.320 0.003 0.000 0.365 109 A C 0.033 177.638 177.584 0.034 0.000 1.621 109 A CA 2.472 54.528 52.037 0.032 0.000 1.021 109 A CB -2.610 16.412 19.000 0.038 0.000 1.485 109 A HN 0.913 nan 8.150 nan 0.000 0.685 110 E N -1.473 118.750 120.200 0.037 0.000 4.020 110 E HA -0.166 4.186 4.350 0.003 0.000 0.395 110 E C -1.818 174.805 176.600 0.039 0.000 0.494 110 E CA 0.400 56.821 56.400 0.036 0.000 1.214 110 E CB -0.434 29.280 29.700 0.024 0.000 0.554 110 E HN 0.607 nan 8.360 nan 0.000 0.366 111 P HA -0.036 nan 4.420 nan 0.000 0.209 111 P C -0.603 176.742 177.300 0.076 0.000 1.196 111 P CA 0.654 63.786 63.100 0.052 0.000 0.906 111 P CB 0.295 32.024 31.700 0.049 0.000 0.754 112 E N -0.703 119.560 120.200 0.104 0.000 3.000 112 E HA -0.083 4.269 4.350 0.003 0.000 0.246 112 E C -1.316 175.390 176.600 0.177 0.000 1.182 112 E CA -0.109 56.367 56.400 0.127 0.000 0.866 112 E CB -1.996 27.764 29.700 0.100 0.000 1.151 112 E HN 0.234 nan 8.360 nan 0.000 0.436 113 E N 1.658 122.009 120.200 0.251 0.000 2.341 113 E HA 0.160 4.513 4.350 0.003 0.000 0.256 113 E C -0.272 176.553 176.600 0.375 0.000 1.125 113 E CA 0.293 56.926 56.400 0.389 0.000 0.939 113 E CB 0.809 30.946 29.700 0.727 0.000 0.991 113 E HN 0.161 nan 8.360 nan 0.000 0.458 114 V N 4.584 124.680 119.914 0.304 0.000 2.370 114 V HA 0.142 4.264 4.120 0.003 0.000 0.283 114 V C -0.467 175.804 176.094 0.295 0.000 1.023 114 V CA -0.938 61.541 62.300 0.297 0.000 0.857 114 V CB 0.113 32.079 31.823 0.238 0.000 0.985 114 V HN 0.516 nan 8.190 nan 0.000 0.443 115 Y N 4.419 124.773 120.300 0.090 0.000 2.359 115 Y HA 0.304 4.857 4.550 0.004 0.000 0.330 115 Y C 1.173 177.126 175.900 0.088 0.000 1.143 115 Y CA -0.621 57.511 58.100 0.053 0.000 1.318 115 Y CB 0.897 39.333 38.460 -0.041 0.000 1.234 115 Y HN 0.424 nan 8.280 nan 0.000 0.522 116 I N 0.592 121.214 120.570 0.088 0.000 3.172 116 I HA 0.262 4.434 4.170 0.003 0.000 0.278 116 I C 1.246 177.330 176.117 -0.056 0.000 1.174 116 I CA 0.853 62.112 61.300 -0.069 0.000 1.445 116 I CB -0.800 36.996 38.000 -0.341 0.000 1.175 116 I HN 0.687 nan 8.210 nan 0.000 0.447 117 G N -0.003 108.800 108.800 0.006 0.000 2.677 117 G HA2 0.369 4.331 3.960 0.003 0.000 0.283 117 G HA3 0.369 4.331 3.960 0.003 0.000 0.283 117 G C -1.916 173.033 174.900 0.083 0.000 1.221 117 G CA -0.237 44.878 45.100 0.025 0.000 0.851 117 G HN 0.036 nan 8.290 nan 0.000 0.504 118 D N -0.042 120.406 120.400 0.080 0.000 2.473 118 D HA 0.462 5.104 4.640 0.003 0.000 0.253 118 D C -0.807 175.580 176.300 0.146 0.000 1.233 118 D CA -0.310 53.755 54.000 0.108 0.000 0.908 118 D CB 2.006 42.856 40.800 0.084 0.000 1.170 118 D HN 0.359 nan 8.370 nan 0.000 0.558 119 L N 4.548 125.894 121.223 0.206 0.000 2.315 119 L HA 0.513 4.855 4.340 0.003 0.000 0.283 119 L C -2.517 174.565 176.870 0.352 0.000 1.089 119 L CA -1.718 53.314 54.840 0.320 0.000 0.833 119 L CB 0.568 42.871 42.059 0.406 0.000 1.170 119 L HN 0.162 nan 8.230 nan 0.000 0.442 120 P HA 0.036 nan 4.420 nan 0.000 0.261 120 P C -0.830 176.800 177.300 0.549 0.000 1.183 120 P CA 0.335 63.686 63.100 0.418 0.000 0.761 120 P CB 0.213 32.111 31.700 0.331 0.000 0.785 121 I N 4.250 125.140 120.570 0.533 0.000 2.359 121 I HA 0.340 4.513 4.170 0.003 0.000 0.294 121 I C 0.560 176.900 176.117 0.371 0.000 0.987 121 I CA -0.746 60.861 61.300 0.512 0.000 1.225 121 I CB 0.908 39.161 38.000 0.422 0.000 1.366 121 I HN 0.389 nan 8.210 nan 0.000 0.466 122 M N 5.429 125.036 119.600 0.012 0.000 2.249 122 M HA 0.309 4.791 4.480 0.003 0.000 0.351 122 M C -0.785 175.282 176.300 -0.389 0.000 1.180 122 M CA -0.781 54.082 55.300 -0.728 0.000 1.127 122 M CB 0.910 32.614 32.600 -1.495 0.000 1.546 122 M HN 0.252 nan 8.290 nan 0.000 0.461 123 L N 5.419 126.279 121.223 -0.605 0.000 2.483 123 L HA 0.069 4.411 4.340 0.003 0.000 0.276 123 L C 1.037 177.702 176.870 -0.342 0.000 1.213 123 L CA 0.976 55.508 54.840 -0.514 0.000 0.843 123 L CB 0.050 41.599 42.059 -0.849 0.000 1.107 123 L HN 0.809 nan 8.230 nan 0.000 0.487 124 K N -0.663 119.612 120.400 -0.208 0.000 3.185 124 K HA -0.223 4.099 4.320 0.003 0.000 0.298 124 K C 0.211 176.776 176.600 -0.058 0.000 1.178 124 K CA 1.036 57.253 56.287 -0.117 0.000 0.882 124 K CB -1.181 31.240 32.500 -0.132 0.000 1.218 124 K HN 0.839 nan 8.250 nan 0.000 0.454 125 S N -0.675 115.004 115.700 -0.034 0.000 2.576 125 S HA 0.496 4.968 4.470 0.003 0.000 0.276 125 S C 1.644 176.280 174.600 0.061 0.000 1.339 125 S CA -0.176 58.056 58.200 0.054 0.000 1.039 125 S CB 1.847 65.179 63.200 0.220 0.000 0.902 125 S HN 0.279 nan 8.310 nan 0.000 0.516 126 A N 2.693 125.539 122.820 0.043 0.000 1.906 126 A HA -0.234 4.088 4.320 0.003 0.000 0.222 126 A C 2.005 179.610 177.584 0.036 0.000 1.282 126 A CA 2.211 54.262 52.037 0.025 0.000 0.675 126 A CB -1.224 17.774 19.000 -0.004 0.000 0.838 126 A HN 1.012 nan 8.150 nan 0.000 0.469 127 I N 0.535 121.125 120.570 0.033 0.000 2.361 127 I HA -0.095 4.077 4.170 0.003 0.000 0.251 127 I C 0.925 177.098 176.117 0.093 0.000 1.133 127 I CA 0.776 62.105 61.300 0.049 0.000 1.413 127 I CB -0.345 37.673 38.000 0.030 0.000 1.073 127 I HN 0.452 nan 8.210 nan 0.000 0.424 128 D N 0.520 120.990 120.400 0.115 0.000 2.417 128 D HA -0.022 4.620 4.640 0.003 0.000 0.250 128 D C -1.671 174.702 176.300 0.122 0.000 1.166 128 D CA -1.245 52.832 54.000 0.129 0.000 0.881 128 D CB 1.624 42.497 40.800 0.121 0.000 1.164 128 D HN 0.030 nan 8.370 nan 0.000 0.467 129 P HA -0.173 nan 4.420 nan 0.000 0.216 129 P C 1.548 179.057 177.300 0.348 0.000 1.157 129 P CA 1.281 64.517 63.100 0.226 0.000 0.880 129 P CB 0.075 31.912 31.700 0.227 0.000 0.791 130 I N -0.968 119.659 120.570 0.095 0.000 2.236 130 I HA -0.326 3.846 4.170 0.003 0.000 0.249 130 I C 2.454 178.636 176.117 0.109 0.000 1.102 130 I CA 1.680 62.849 61.300 -0.218 0.000 1.365 130 I CB -1.201 36.629 38.000 -0.282 0.000 1.051 130 I HN 0.040 nan 8.210 nan 0.000 0.420 131 S N 0.393 116.155 115.700 0.104 0.000 2.408 131 S HA -0.267 4.205 4.470 0.003 0.000 0.241 131 S C 1.374 176.054 174.600 0.133 0.000 1.080 131 S CA 1.736 59.990 58.200 0.090 0.000 1.109 131 S CB -0.181 63.064 63.200 0.075 0.000 0.966 131 S HN 0.438 nan 8.310 nan 0.000 0.449 132 Q N 0.658 120.583 119.800 0.209 0.000 2.788 132 Q HA 0.378 4.720 4.340 0.003 0.000 0.278 132 Q C -1.820 174.288 176.000 0.180 0.000 1.126 132 Q CA -0.033 55.859 55.803 0.148 0.000 1.017 132 Q CB 0.588 29.361 28.738 0.058 0.000 1.219 132 Q HN 0.560 nan 8.270 nan 0.000 0.503 133 Y N -0.660 119.642 120.300 0.003 0.000 2.442 133 Y HA 0.285 4.837 4.550 0.003 0.000 0.344 133 Y C 0.700 176.600 175.900 0.000 0.000 0.976 133 Y CA -0.743 57.359 58.100 0.003 0.000 1.040 133 Y CB 2.003 40.466 38.460 0.005 0.000 1.228 133 Y HN 0.038 nan 8.280 nan 0.000 0.451 134 T N 3.030 117.657 114.554 0.121 0.000 2.860 134 T HA 0.108 4.460 4.350 0.003 0.000 0.299 134 T C 1.532 176.280 174.700 0.080 0.000 1.045 134 T CA -0.210 61.933 62.100 0.073 0.000 1.071 134 T CB 0.397 69.285 68.868 0.033 0.000 0.985 134 T HN 0.838 nan 8.240 nan 0.000 0.537 135 L N 2.451 123.703 121.223 0.049 0.000 2.077 135 L HA -0.279 4.063 4.340 0.003 0.000 0.231 135 L C 2.212 179.104 176.870 0.037 0.000 1.100 135 L CA 2.451 57.312 54.840 0.035 0.000 0.819 135 L CB -0.433 41.637 42.059 0.019 0.000 0.913 135 L HN 0.790 nan 8.230 nan 0.000 0.446 136 D N -0.614 119.806 120.400 0.034 0.000 2.117 136 D HA -0.214 4.428 4.640 0.003 0.000 0.197 136 D C 2.119 178.454 176.300 0.058 0.000 0.987 136 D CA 1.313 55.332 54.000 0.032 0.000 0.829 136 D CB -0.126 40.687 40.800 0.021 0.000 0.961 136 D HN 0.448 nan 8.370 nan 0.000 0.460 137 K N 0.128 120.585 120.400 0.095 0.000 2.152 137 K HA -0.142 4.180 4.320 0.003 0.000 0.206 137 K C 2.069 178.814 176.600 0.241 0.000 1.048 137 K CA 0.690 57.083 56.287 0.178 0.000 0.933 137 K CB -0.002 32.626 32.500 0.213 0.000 0.721 137 K HN 0.095 nan 8.250 nan 0.000 0.447 138 L N 0.456 121.762 121.223 0.139 0.000 2.270 138 L HA -0.069 4.273 4.340 0.003 0.000 0.210 138 L C 2.018 178.889 176.870 0.001 0.000 1.104 138 L CA 0.626 55.477 54.840 0.017 0.000 0.804 138 L CB -0.274 41.757 42.059 -0.046 0.000 0.937 138 L HN 0.074 nan 8.230 nan 0.000 0.450 139 I N 0.156 120.734 120.570 0.013 0.000 2.151 139 I HA -0.309 3.863 4.170 0.003 0.000 0.243 139 I C 2.392 178.508 176.117 -0.001 0.000 1.080 139 I CA 1.573 62.868 61.300 -0.007 0.000 1.339 139 I CB -0.969 37.026 38.000 -0.007 0.000 1.039 139 I HN 0.420 nan 8.210 nan 0.000 0.409 140 E N 0.791 121.007 120.200 0.026 0.000 2.065 140 E HA -0.252 4.100 4.350 0.003 0.000 0.201 140 E C 2.279 178.894 176.600 0.026 0.000 1.016 140 E CA 1.466 57.886 56.400 0.035 0.000 0.818 140 E CB -0.109 29.633 29.700 0.070 0.000 0.749 140 E HN 0.313 nan 8.360 nan 0.000 0.453 141 I N -0.656 119.929 120.570 0.025 0.000 2.113 141 I HA -0.245 3.927 4.170 0.003 0.000 0.242 141 I C 1.995 178.102 176.117 -0.017 0.000 1.064 141 I CA 2.183 63.478 61.300 -0.008 0.000 1.320 141 I CB -1.145 36.803 38.000 -0.086 0.000 1.028 141 I HN 0.482 nan 8.210 nan 0.000 0.406 142 G N 0.501 109.283 108.800 -0.030 0.000 2.276 142 G HA2 -0.098 3.864 3.960 0.003 0.000 0.177 142 G HA3 -0.098 3.864 3.960 0.003 0.000 0.177 142 G C 0.068 174.938 174.900 -0.050 0.000 1.017 142 G CA 0.131 45.208 45.100 -0.037 0.000 0.750 142 G HN 0.521 nan 8.290 nan 0.000 0.506 143 E N 0.502 120.671 120.200 -0.051 0.000 2.393 143 E HA 0.581 4.933 4.350 0.003 0.000 0.265 143 E C -1.246 175.327 176.600 -0.044 0.000 0.941 143 E CA -0.947 55.424 56.400 -0.049 0.000 0.801 143 E CB 1.345 31.021 29.700 -0.040 0.000 1.313 143 E HN 0.091 nan 8.360 nan 0.000 0.435 144 D N 1.225 121.605 120.400 -0.033 0.000 2.343 144 D HA 0.050 4.692 4.640 0.003 0.000 0.255 144 D C -1.423 174.877 176.300 -0.001 0.000 1.187 144 D CA -1.894 52.090 54.000 -0.028 0.000 0.875 144 D CB 1.256 42.034 40.800 -0.037 0.000 1.136 144 D HN 0.169 nan 8.370 nan 0.000 0.469 145 P HA -0.209 nan 4.420 nan 0.000 0.216 145 P C 0.747 178.070 177.300 0.040 0.000 1.153 145 P CA 1.093 64.198 63.100 0.010 0.000 0.858 145 P CB 0.191 31.897 31.700 0.009 0.000 0.789 146 K N 0.167 120.601 120.400 0.056 0.000 2.699 146 K HA -0.048 4.274 4.320 0.003 0.000 0.205 146 K C 0.457 177.190 176.600 0.222 0.000 1.008 146 K CA -0.014 56.352 56.287 0.131 0.000 1.100 146 K CB -0.593 31.970 32.500 0.105 0.000 0.878 146 K HN 0.160 nan 8.250 nan 0.000 0.496 147 D N 0.861 121.347 120.400 0.144 0.000 2.308 147 D HA 0.030 4.672 4.640 0.003 0.000 0.251 147 D C -1.249 175.112 176.300 0.102 0.000 1.127 147 D CA -2.356 51.742 54.000 0.162 0.000 0.876 147 D CB 1.333 42.198 40.800 0.108 0.000 1.176 147 D HN -0.068 nan 8.370 nan 0.000 0.446 148 P HA 0.067 nan 4.420 nan 0.000 0.219 148 P C 0.722 178.001 177.300 -0.035 0.000 1.150 148 P CA 0.939 64.051 63.100 0.020 0.000 0.814 148 P CB 0.064 31.748 31.700 -0.027 0.000 0.787 149 G N -0.799 107.961 108.800 -0.066 0.000 2.693 149 G HA2 0.066 4.028 3.960 0.003 0.000 0.226 149 G HA3 0.066 4.028 3.960 0.003 0.000 0.226 149 G C 0.629 175.374 174.900 -0.259 0.000 1.354 149 G CA 0.114 44.995 45.100 -0.366 0.000 0.873 149 G HN 0.714 nan 8.290 nan 0.000 0.562 150 G N -2.747 105.828 108.800 -0.374 0.000 2.175 150 G HA2 0.213 4.176 3.960 0.003 0.000 0.244 150 G HA3 0.213 4.176 3.960 0.003 0.000 0.244 150 G C 0.322 174.995 174.900 -0.378 0.000 0.982 150 G CA 1.691 46.609 45.100 -0.304 0.000 0.641 150 G HN 2.471 nan 8.290 nan 0.000 0.527 151 Y N -1.366 118.619 120.300 -0.525 0.000 2.545 151 Y HA 0.824 5.376 4.550 0.003 0.000 0.348 151 Y C -0.116 175.396 175.900 -0.647 0.000 1.002 151 Y CA -2.740 55.039 58.100 -0.535 0.000 1.039 151 Y CB 0.779 39.078 38.460 -0.269 0.000 1.271 151 Y HN -0.020 nan 8.280 nan 0.000 0.467 152 F N 1.414 121.362 119.950 -0.003 0.000 2.375 152 F HA 0.613 5.141 4.527 0.003 0.000 0.317 152 F C 0.233 176.060 175.800 0.044 0.000 1.124 152 F CA -1.015 56.957 58.000 -0.047 0.000 1.050 152 F CB 0.950 39.959 39.000 0.015 0.000 1.314 152 F HN 0.401 nan 8.300 nan 0.000 0.511 153 I N 2.280 122.968 120.570 0.196 0.000 2.926 153 I HA 0.140 4.312 4.170 0.003 0.000 0.295 153 I C -0.932 175.287 176.117 0.169 0.000 1.463 153 I CA -0.541 60.833 61.300 0.124 0.000 0.892 153 I CB 0.755 38.720 38.000 -0.058 0.000 1.874 153 I HN 0.309 nan 8.210 nan 0.000 0.620 154 V N 1.226 121.245 119.914 0.174 0.000 2.637 154 V HA 0.293 4.415 4.120 0.003 0.000 0.296 154 V C 1.100 177.261 176.094 0.111 0.000 1.046 154 V CA -0.233 62.153 62.300 0.143 0.000 1.066 154 V CB 0.626 32.513 31.823 0.107 0.000 0.968 154 V HN 0.843 nan 8.190 nan 0.000 0.483 155 N N 3.069 121.833 118.700 0.106 0.000 2.708 155 N HA -0.234 4.508 4.740 0.003 0.000 0.251 155 N C 1.131 176.688 175.510 0.078 0.000 1.017 155 N CA 1.261 54.362 53.050 0.084 0.000 0.742 155 N CB -1.371 37.155 38.487 0.066 0.000 0.943 155 N HN 2.013 nan 8.380 nan 0.000 0.539 156 G N -1.005 107.851 108.800 0.094 0.000 2.337 156 G HA2 -0.392 3.570 3.960 0.003 0.000 0.290 156 G HA3 -0.392 3.570 3.960 0.003 0.000 0.290 156 G C 0.970 175.903 174.900 0.056 0.000 1.003 156 G CA 1.486 46.632 45.100 0.076 0.000 0.825 156 G HN 0.845 nan 8.290 nan 0.000 0.509 157 S N -1.428 114.305 115.700 0.057 0.000 2.510 157 S HA 0.398 4.870 4.470 0.003 0.000 0.230 157 S C 0.598 175.214 174.600 0.026 0.000 1.066 157 S CA 0.924 59.145 58.200 0.034 0.000 0.941 157 S CB 0.411 63.629 63.200 0.030 0.000 0.829 157 S HN 1.013 nan 8.310 nan 0.000 0.530 158 E N 0.197 120.434 120.200 0.062 0.000 7.202 158 E HA -0.027 4.325 4.350 0.003 0.000 0.192 158 E C -1.356 175.285 176.600 0.068 0.000 0.943 158 E CA -0.040 56.403 56.400 0.071 0.000 1.631 158 E CB -0.556 29.103 29.700 -0.068 0.000 0.906 158 E HN 0.321 nan 8.360 nan 0.000 0.287 159 R N 1.482 122.073 120.500 0.151 0.000 2.288 159 R HA 0.449 4.791 4.340 0.003 0.000 0.326 159 R C -0.629 175.813 176.300 0.237 0.000 0.959 159 R CA -0.437 55.755 56.100 0.153 0.000 0.834 159 R CB 1.872 32.253 30.300 0.134 0.000 1.157 159 R HN 0.178 nan 8.270 nan 0.000 0.470 160 V N 5.404 125.404 119.914 0.144 0.000 2.539 160 V HA 0.380 4.502 4.120 0.003 0.000 0.292 160 V C -0.090 176.083 176.094 0.131 0.000 1.045 160 V CA -0.758 61.615 62.300 0.122 0.000 0.945 160 V CB 1.147 32.923 31.823 -0.079 0.000 0.993 160 V HN 0.642 nan 8.190 nan 0.000 0.464 161 I N 7.550 128.273 120.570 0.255 0.000 2.329 161 I HA 0.153 4.325 4.170 0.003 0.000 0.295 161 I C 0.242 176.498 176.117 0.231 0.000 1.109 161 I CA 0.537 61.984 61.300 0.245 0.000 1.297 161 I CB 1.038 39.249 38.000 0.352 0.000 1.433 161 I HN 0.458 nan 8.210 nan 0.000 0.509 162 V N 7.427 127.401 119.914 0.101 0.000 2.498 162 V HA 0.186 4.308 4.120 0.003 0.000 0.279 162 V C 0.869 177.026 176.094 0.104 0.000 1.048 162 V CA -0.283 62.067 62.300 0.083 0.000 0.967 162 V CB 1.647 33.431 31.823 -0.066 0.000 0.988 162 V HN 0.891 nan 8.190 nan 0.000 0.473 163 T N 6.644 121.277 114.554 0.130 0.000 2.866 163 T HA 0.060 4.412 4.350 0.003 0.000 0.293 163 T C 0.101 174.822 174.700 0.034 0.000 1.005 163 T CA 0.056 62.181 62.100 0.042 0.000 1.162 163 T CB 0.050 68.939 68.868 0.035 0.000 0.968 163 T HN 0.868 nan 8.240 nan 0.000 0.530 164 Q N 3.345 123.157 119.800 0.021 0.000 2.199 164 Q HA 0.376 4.718 4.340 0.003 0.000 0.232 164 Q C -0.148 175.864 176.000 0.021 0.000 0.969 164 Q CA -0.504 55.311 55.803 0.021 0.000 0.925 164 Q CB 1.092 29.837 28.738 0.013 0.000 1.198 164 Q HN 0.866 nan 8.270 nan 0.000 0.494 165 E N 1.688 121.900 120.200 0.020 0.000 2.437 165 E HA 0.158 4.510 4.350 0.003 0.000 0.238 165 E C -0.952 175.643 176.600 -0.008 0.000 0.969 165 E CA -0.378 56.033 56.400 0.019 0.000 0.759 165 E CB 0.532 30.256 29.700 0.041 0.000 1.283 165 E HN 0.373 nan 8.360 nan 0.000 0.416 166 D N 2.475 122.865 120.400 -0.017 0.000 2.278 166 D HA -0.038 4.604 4.640 0.003 0.000 0.240 166 D C 1.496 177.766 176.300 -0.051 0.000 1.347 166 D CA 0.153 54.135 54.000 -0.030 0.000 0.945 166 D CB 0.805 41.587 40.800 -0.030 0.000 1.175 166 D HN 0.404 nan 8.370 nan 0.000 0.519 167 L N -0.630 120.561 121.223 -0.054 0.000 2.255 167 L HA 0.411 4.753 4.340 0.003 0.000 0.196 167 L C 0.785 177.608 176.870 -0.078 0.000 1.202 167 L CA 0.284 55.082 54.840 -0.071 0.000 0.819 167 L CB -0.419 41.608 42.059 -0.053 0.000 1.006 167 L HN 0.390 nan 8.230 nan 0.000 0.480 168 A N -0.149 122.638 122.820 -0.055 0.000 2.573 168 A HA 0.613 4.935 4.320 0.003 0.000 0.299 168 A C -2.841 174.726 177.584 -0.030 0.000 1.060 168 A CA -0.665 51.343 52.037 -0.049 0.000 0.736 168 A CB 0.799 19.766 19.000 -0.054 0.000 1.280 168 A HN 0.090 nan 8.150 nan 0.000 0.401 169 P HA 0.506 nan 4.420 nan 0.000 0.293 169 P C 0.076 177.364 177.300 -0.021 0.000 1.291 169 P CA 0.077 63.162 63.100 -0.026 0.000 0.867 169 P CB 1.419 33.087 31.700 -0.054 0.000 1.074 170 N N 0.808 119.536 118.700 0.047 0.000 1.854 170 N HA -0.228 4.514 4.740 0.003 0.000 0.172 170 N C -0.261 175.332 175.510 0.140 0.000 0.700 170 N CA 1.104 54.247 53.050 0.154 0.000 1.268 170 N CB -1.918 36.501 38.487 -0.113 0.000 1.408 170 N HN 0.733 nan 8.380 nan 0.000 0.428 171 R N 1.132 121.688 120.500 0.093 0.000 3.623 171 R HA -0.018 4.324 4.340 0.003 0.000 0.123 171 R C -0.208 176.145 176.300 0.088 0.000 0.689 171 R CA 0.480 56.630 56.100 0.083 0.000 0.774 171 R CB -0.969 29.345 30.300 0.023 0.000 1.128 171 R HN 0.344 nan 8.270 nan 0.000 0.257 172 V N 5.171 125.153 119.914 0.112 0.000 2.614 172 V HA 0.263 4.385 4.120 0.003 0.000 0.291 172 V C 0.854 176.982 176.094 0.058 0.000 1.049 172 V CA -0.097 62.264 62.300 0.101 0.000 1.038 172 V CB 0.825 32.731 31.823 0.138 0.000 0.980 172 V HN 0.473 nan 8.190 nan 0.000 0.481 173 L N 4.699 125.946 121.223 0.040 0.000 2.401 173 L HA 0.680 5.022 4.340 0.003 0.000 0.266 173 L C -0.732 176.145 176.870 0.011 0.000 0.991 173 L CA -0.733 54.116 54.840 0.015 0.000 0.818 173 L CB 2.276 44.334 42.059 -0.001 0.000 1.321 173 L HN 0.351 nan 8.230 nan 0.000 0.413 174 V N 0.886 120.797 119.914 -0.004 0.000 2.581 174 V HA 0.544 4.666 4.120 0.003 0.000 0.303 174 V C -0.716 175.361 176.094 -0.028 0.000 1.041 174 V CA -0.316 61.976 62.300 -0.013 0.000 0.907 174 V CB 2.072 33.878 31.823 -0.028 0.000 0.994 174 V HN 0.757 nan 8.190 nan 0.000 0.442 175 D N 0.807 121.195 120.400 -0.019 0.000 2.989 175 D HA 0.698 5.340 4.640 0.003 0.000 0.284 175 D C -1.092 175.211 176.300 0.005 0.000 1.212 175 D CA -0.099 53.890 54.000 -0.018 0.000 1.055 175 D CB 2.388 43.182 40.800 -0.010 0.000 1.351 175 D HN 0.559 nan 8.370 nan 0.000 0.611 176 T N 0.034 114.600 114.554 0.022 0.000 4.058 176 T HA 0.529 4.881 4.350 0.003 0.000 0.297 176 T C -0.035 174.679 174.700 0.023 0.000 0.675 176 T CA -0.494 61.648 62.100 0.071 0.000 0.974 176 T CB 0.638 69.588 68.868 0.136 0.000 1.115 176 T HN 0.479 nan 8.240 nan 0.000 0.480 177 G N 2.350 111.151 108.800 0.001 0.000 2.716 177 G HA2 0.445 4.407 3.960 0.003 0.000 0.251 177 G HA3 0.445 4.407 3.960 0.003 0.000 0.251 177 G C -0.229 174.656 174.900 -0.024 0.000 1.224 177 G CA -0.415 44.675 45.100 -0.017 0.000 0.891 177 G HN 0.405 nan 8.290 nan 0.000 0.561 178 K N 0.516 120.899 120.400 -0.030 0.000 2.143 178 K HA 0.289 4.611 4.320 0.003 0.000 0.272 178 K C 0.635 177.211 176.600 -0.039 0.000 1.001 178 K CA -0.344 55.923 56.287 -0.033 0.000 0.915 178 K CB 0.961 33.442 32.500 -0.031 0.000 1.047 178 K HN 0.510 nan 8.250 nan 0.000 0.458 179 T N 0.890 115.417 114.554 -0.045 0.000 2.704 179 T HA 0.059 4.411 4.350 0.003 0.000 0.251 179 T C 0.958 175.635 174.700 -0.037 0.000 1.019 179 T CA 1.672 63.743 62.100 -0.048 0.000 1.146 179 T CB -0.127 68.716 68.868 -0.043 0.000 1.043 179 T HN 0.801 nan 8.240 nan 0.000 0.466 180 G N 1.337 110.114 108.800 -0.037 0.000 2.330 180 G HA2 0.039 4.001 3.960 0.003 0.000 0.125 180 G HA3 0.039 4.001 3.960 0.003 0.000 0.125 180 G C 0.371 175.254 174.900 -0.028 0.000 1.060 180 G CA 0.090 45.173 45.100 -0.028 0.000 0.743 180 G HN 0.720 nan 8.290 nan 0.000 0.480 181 S N -0.637 115.043 115.700 -0.033 0.000 2.769 181 S HA 0.247 4.719 4.470 0.003 0.000 0.258 181 S C 1.425 176.014 174.600 -0.018 0.000 1.080 181 S CA 0.697 58.879 58.200 -0.031 0.000 0.943 181 S CB 0.178 63.350 63.200 -0.045 0.000 0.893 181 S HN 0.754 nan 8.310 nan 0.000 0.490 182 N N 0.401 119.090 118.700 -0.017 0.000 2.509 182 N HA -0.153 4.589 4.740 0.003 0.000 0.201 182 N C -0.249 175.269 175.510 0.013 0.000 1.341 182 N CA 1.302 54.356 53.050 0.007 0.000 2.622 182 N CB -1.159 37.344 38.487 0.027 0.000 0.861 182 N HN 0.472 nan 8.380 nan 0.000 0.466 183 I N 1.450 122.020 120.570 -0.001 0.000 2.378 183 I HA 0.458 4.630 4.170 0.003 0.000 0.291 183 I C 1.155 177.199 176.117 -0.121 0.000 0.992 183 I CA -0.210 61.078 61.300 -0.020 0.000 1.154 183 I CB 0.821 38.823 38.000 0.004 0.000 1.315 183 I HN 0.084 nan 8.210 nan 0.000 0.448 184 T N 5.830 120.249 114.554 -0.225 0.000 6.074 184 T HA -0.114 4.238 4.350 0.003 0.000 0.240 184 T C 1.122 175.588 174.700 -0.390 0.000 0.970 184 T CA 0.981 62.798 62.100 -0.473 0.000 1.002 184 T CB -0.560 67.734 68.868 -0.956 0.000 0.779 184 T HN 0.656 nan 8.240 nan 0.000 0.257 185 H N 0.474 119.438 119.070 -0.178 0.000 2.190 185 H HA 0.445 5.003 4.556 0.003 0.000 0.357 185 H C 0.650 175.910 175.328 -0.113 0.000 1.993 185 H CA 0.674 56.646 56.048 -0.127 0.000 1.395 185 H CB -0.205 29.488 29.762 -0.115 0.000 1.620 185 H HN 0.528 nan 8.280 nan 0.000 0.530 186 T N -1.779 112.814 114.554 0.065 0.000 2.786 186 T HA 0.576 4.928 4.350 0.003 0.000 0.316 186 T C -1.893 172.810 174.700 0.006 0.000 1.503 186 T CA -0.196 61.902 62.100 -0.002 0.000 1.019 186 T CB 1.145 70.009 68.868 -0.006 0.000 1.415 186 T HN 0.863 nan 8.240 nan 0.000 0.496 187 A N 2.614 125.436 122.820 0.004 0.000 2.393 187 A HA 0.833 5.155 4.320 0.003 0.000 0.306 187 A C -0.830 176.770 177.584 0.027 0.000 1.050 187 A CA -0.754 51.295 52.037 0.020 0.000 0.724 187 A CB 1.738 20.759 19.000 0.035 0.000 1.248 187 A HN 0.891 nan 8.150 nan 0.000 0.424 188 K N 1.592 122.006 120.400 0.023 0.000 2.281 188 K HA 0.890 5.212 4.320 0.003 0.000 0.242 188 K C -1.503 175.114 176.600 0.028 0.000 0.971 188 K CA -0.605 55.692 56.287 0.016 0.000 0.834 188 K CB 1.351 33.850 32.500 -0.001 0.000 1.181 188 K HN 0.671 nan 8.250 nan 0.000 0.435 189 I N 2.861 123.441 120.570 0.017 0.000 2.841 189 I HA 0.333 4.505 4.170 0.003 0.000 0.298 189 I C -1.144 174.979 176.117 0.010 0.000 1.304 189 I CA -0.805 60.516 61.300 0.035 0.000 1.019 189 I CB 2.369 40.406 38.000 0.060 0.000 1.282 189 I HN 0.545 nan 8.210 nan 0.000 0.432 190 I N 4.074 124.671 120.570 0.045 0.000 2.521 190 I HA 0.189 4.361 4.170 0.003 0.000 0.277 190 I C -0.013 176.184 176.117 0.134 0.000 1.054 190 I CA -0.284 61.037 61.300 0.035 0.000 1.117 190 I CB 1.742 39.746 38.000 0.006 0.000 1.217 190 I HN 0.564 nan 8.210 nan 0.000 0.469 191 S N 3.382 119.177 115.700 0.159 0.000 2.601 191 S HA 0.553 5.025 4.470 0.003 0.000 0.271 191 S C 0.599 175.315 174.600 0.194 0.000 1.305 191 S CA -0.251 58.202 58.200 0.421 0.000 1.022 191 S CB 1.942 65.181 63.200 0.066 0.000 0.940 191 S HN 0.658 nan 8.310 nan 0.000 0.525 192 S N 1.552 117.363 115.700 0.185 0.000 3.600 192 S HA 0.664 5.136 4.470 0.003 0.000 0.179 192 S C -0.069 174.578 174.600 0.080 0.000 0.816 192 S CA 0.322 58.559 58.200 0.062 0.000 0.916 192 S CB -0.278 62.918 63.200 -0.007 0.000 1.164 192 S HN 1.317 nan 8.310 nan 0.000 0.709 193 T N -0.861 113.725 114.554 0.053 0.000 2.913 193 T HA 0.682 5.034 4.350 0.003 0.000 0.341 193 T C -0.315 174.411 174.700 0.044 0.000 1.855 193 T CA -0.353 61.796 62.100 0.081 0.000 1.049 193 T CB 0.913 69.838 68.868 0.096 0.000 1.769 193 T HN 1.187 nan 8.240 nan 0.000 0.511 194 A N -0.358 122.511 122.820 0.081 0.000 2.574 194 A HA 0.752 5.074 4.320 0.003 0.000 0.170 194 A C 1.283 178.918 177.584 0.085 0.000 1.617 194 A CA 0.690 52.759 52.037 0.054 0.000 1.189 194 A CB 0.166 19.183 19.000 0.028 0.000 1.496 194 A HN 1.777 nan 8.150 nan 0.000 0.505 195 G N -1.998 106.901 108.800 0.165 0.000 4.000 195 G HA2 0.438 4.400 3.960 0.003 0.000 0.260 195 G HA3 0.438 4.400 3.960 0.003 0.000 0.260 195 G C 0.244 175.278 174.900 0.224 0.000 1.047 195 G CA 0.371 45.579 45.100 0.181 0.000 0.860 195 G HN 0.199 nan 8.290 nan 0.000 0.464 196 Y N 0.050 120.377 120.300 0.045 0.000 2.977 196 Y HA 0.493 5.045 4.550 0.003 0.000 0.130 196 Y C 1.778 177.709 175.900 0.053 0.000 0.885 196 Y CA -0.066 58.067 58.100 0.055 0.000 1.879 196 Y CB 0.314 38.815 38.460 0.069 0.000 1.258 196 Y HN -0.108 nan 8.280 nan 0.000 0.284 197 R N -0.978 119.673 120.500 0.252 0.000 3.066 197 R HA 0.666 5.008 4.340 0.003 0.000 0.143 197 R C -1.030 175.326 176.300 0.093 0.000 1.187 197 R CA -0.293 55.892 56.100 0.142 0.000 0.722 197 R CB 0.156 30.537 30.300 0.136 0.000 1.366 197 R HN -0.013 nan 8.270 nan 0.000 0.421 198 V N 1.916 121.864 119.914 0.057 0.000 3.342 198 V HA 0.147 4.269 4.120 0.003 0.000 0.494 198 V C -2.176 173.912 176.094 -0.010 0.000 1.598 198 V CA -0.761 61.553 62.300 0.025 0.000 1.948 198 V CB 0.490 32.322 31.823 0.016 0.000 1.274 198 V HN 0.579 nan 8.190 nan 0.000 0.650 199 P HA 0.389 nan 4.420 nan 0.000 0.307 199 P C -0.719 176.541 177.300 -0.067 0.000 1.306 199 P CA -0.332 62.728 63.100 -0.066 0.000 0.742 199 P CB 2.216 33.853 31.700 -0.104 0.000 1.349 200 V N -0.519 119.333 119.914 -0.103 0.000 2.501 200 V HA 0.251 4.373 4.120 0.003 0.000 0.277 200 V C -0.835 175.176 176.094 -0.139 0.000 1.004 200 V CA -0.186 62.059 62.300 -0.093 0.000 0.862 200 V CB 0.855 32.627 31.823 -0.085 0.000 1.035 200 V HN 0.543 nan 8.190 nan 0.000 0.448 201 T N 7.760 122.227 114.554 -0.145 0.000 2.767 201 T HA 0.542 4.895 4.350 0.003 0.000 0.288 201 T C 0.138 174.694 174.700 -0.240 0.000 0.963 201 T CA -0.203 61.755 62.100 -0.237 0.000 1.019 201 T CB 0.701 69.425 68.868 -0.240 0.000 0.923 201 T HN 0.442 nan 8.240 nan 0.000 0.468 202 I N 2.920 123.306 120.570 -0.305 0.000 3.021 202 I HA 0.413 4.585 4.170 0.003 0.000 0.303 202 I C 0.549 176.483 176.117 -0.306 0.000 1.044 202 I CA -0.417 60.737 61.300 -0.244 0.000 1.266 202 I CB 0.698 38.577 38.000 -0.202 0.000 1.447 202 I HN 0.520 nan 8.210 nan 0.000 0.593 203 E N 2.719 122.819 120.200 -0.166 0.000 2.313 203 E HA 0.388 4.740 4.350 0.003 0.000 0.280 203 E C -1.181 175.407 176.600 -0.021 0.000 0.898 203 E CA -0.547 55.796 56.400 -0.095 0.000 0.803 203 E CB 1.836 31.506 29.700 -0.051 0.000 1.286 203 E HN 0.434 nan 8.360 nan 0.000 0.401 204 R N 2.846 123.355 120.500 0.016 0.000 2.521 204 R HA 0.470 4.812 4.340 0.003 0.000 0.295 204 R C -0.182 176.159 176.300 0.068 0.000 1.183 204 R CA -0.468 55.651 56.100 0.031 0.000 0.957 204 R CB 1.428 31.734 30.300 0.011 0.000 1.171 204 R HN 0.244 nan 8.270 nan 0.000 0.494 205 L N 2.734 123.996 121.223 0.064 0.000 2.375 205 L HA 0.496 4.838 4.340 0.003 0.000 0.271 205 L C 0.129 176.999 176.870 -0.000 0.000 1.107 205 L CA -0.543 54.335 54.840 0.064 0.000 0.806 205 L CB 0.988 43.083 42.059 0.059 0.000 1.146 205 L HN 0.390 nan 8.230 nan 0.000 0.447 206 K N 1.448 121.828 120.400 -0.033 0.000 2.371 206 K HA 0.519 4.841 4.320 0.003 0.000 0.251 206 K C -1.661 174.712 176.600 -0.377 0.000 0.934 206 K CA -0.912 55.313 56.287 -0.102 0.000 0.798 206 K CB 2.249 34.758 32.500 0.016 0.000 1.204 206 K HN 0.384 nan 8.250 nan 0.000 0.427 207 D N 0.016 120.142 120.400 -0.456 0.000 2.492 207 D HA 0.517 5.159 4.640 0.003 0.000 0.248 207 D C 0.494 176.624 176.300 -0.283 0.000 1.101 207 D CA 0.136 53.614 54.000 -0.869 0.000 0.840 207 D CB 1.814 42.210 40.800 -0.673 0.000 1.209 207 D HN 0.725 nan 8.370 nan 0.000 0.524 208 G N 0.767 109.485 108.800 -0.136 0.000 3.465 208 G HA2 -0.131 3.831 3.960 0.003 0.000 0.219 208 G HA3 -0.131 3.831 3.960 0.003 0.000 0.219 208 G C 0.782 175.838 174.900 0.260 0.000 0.984 208 G CA 0.076 45.300 45.100 0.206 0.000 0.864 208 G HN 0.466 nan 8.290 nan 0.000 0.485 209 T N 0.337 115.059 114.554 0.279 0.000 3.207 209 T HA 0.330 4.682 4.350 0.003 0.000 0.277 209 T C 0.035 174.829 174.700 0.156 0.000 0.865 209 T CA 0.056 62.300 62.100 0.240 0.000 0.857 209 T CB 0.889 69.925 68.868 0.279 0.000 1.240 209 T HN 0.789 nan 8.240 nan 0.000 0.618 210 F N 2.916 122.776 119.950 -0.151 0.000 2.027 210 F HA -0.171 4.358 4.527 0.003 0.000 0.363 210 F C 0.061 175.631 175.800 -0.385 0.000 1.128 210 F CA 0.228 58.118 58.000 -0.182 0.000 1.197 210 F CB -1.047 37.842 39.000 -0.185 0.000 1.872 210 F HN 0.344 nan 8.300 nan 0.000 0.735 211 H N 2.033 121.227 119.070 0.206 0.000 2.934 211 H HA 0.510 5.069 4.556 0.003 0.000 0.340 211 H C -0.930 174.499 175.328 0.169 0.000 1.008 211 H CA -0.829 55.330 56.048 0.185 0.000 1.317 211 H CB 1.910 31.747 29.762 0.125 0.000 1.670 211 H HN 0.303 nan 8.280 nan 0.000 0.516 212 V N 3.771 123.864 119.914 0.298 0.000 2.356 212 V HA 0.045 4.167 4.120 0.003 0.000 0.258 212 V C 0.957 177.198 176.094 0.246 0.000 1.065 212 V CA -0.424 62.033 62.300 0.262 0.000 0.935 212 V CB 0.236 32.234 31.823 0.292 0.000 1.061 212 V HN 0.795 nan 8.190 nan 0.000 0.484 213 S N 4.843 120.664 115.700 0.202 0.000 2.584 213 S HA 0.633 5.105 4.470 0.003 0.000 0.270 213 S C -0.852 173.903 174.600 0.259 0.000 1.346 213 S CA -0.239 58.067 58.200 0.177 0.000 1.018 213 S CB 0.955 64.212 63.200 0.095 0.000 0.899 213 S HN 0.493 nan 8.310 nan 0.000 0.542 214 F N 1.340 121.289 119.950 -0.002 0.000 2.650 214 F HA 0.527 5.056 4.527 0.004 0.000 0.310 214 F C -2.578 173.214 175.800 -0.014 0.000 1.112 214 F CA -1.704 56.272 58.000 -0.039 0.000 0.986 214 F CB 2.039 41.026 39.000 -0.022 0.000 1.285 214 F HN 0.496 nan 8.300 nan 0.000 0.440 215 P HA 0.404 nan 4.420 nan 0.000 0.272 215 P C 0.023 177.274 177.300 -0.081 0.000 1.230 215 P CA 1.216 64.088 63.100 -0.381 0.000 0.788 215 P CB 1.327 32.701 31.700 -0.544 0.000 0.949 216 A N 1.687 124.532 122.820 0.043 0.000 4.856 216 A HA -0.258 4.064 4.320 0.003 0.000 0.322 216 A C 0.479 178.173 177.584 0.183 0.000 1.914 216 A CA 1.651 53.795 52.037 0.178 0.000 0.719 216 A CB -2.801 16.418 19.000 0.364 0.000 1.353 216 A HN 0.431 nan 8.150 nan 0.000 0.388 217 V N 3.650 123.735 119.914 0.285 0.000 2.699 217 V HA 0.184 4.306 4.120 0.003 0.000 0.296 217 V C -1.002 175.207 176.094 0.192 0.000 1.030 217 V CA 0.738 63.184 62.300 0.243 0.000 1.219 217 V CB -0.805 31.197 31.823 0.299 0.000 0.848 217 V HN 0.757 nan 8.190 nan 0.000 0.468 218 P HA 0.527 nan 4.420 nan 0.000 0.279 218 P C 0.543 177.900 177.300 0.094 0.000 1.276 218 P CA 0.919 64.075 63.100 0.093 0.000 0.801 218 P CB 1.210 32.949 31.700 0.065 0.000 1.127 219 G N 0.444 109.287 108.800 0.072 0.000 2.525 219 G HA2 -0.173 3.790 3.960 0.003 0.000 0.248 219 G HA3 -0.173 3.790 3.960 0.003 0.000 0.248 219 G C -1.145 173.809 174.900 0.089 0.000 1.238 219 G CA -0.172 44.968 45.100 0.065 0.000 0.926 219 G HN 0.749 nan 8.290 nan 0.000 0.574 220 K N -0.790 119.669 120.400 0.098 0.000 2.550 220 K HA 0.499 4.821 4.320 0.003 0.000 0.252 220 K C -1.411 175.300 176.600 0.184 0.000 0.943 220 K CA -0.820 55.551 56.287 0.140 0.000 0.806 220 K CB 2.058 34.620 32.500 0.102 0.000 1.289 220 K HN 0.405 nan 8.250 nan 0.000 0.435 221 I N 3.707 124.398 120.570 0.202 0.000 2.297 221 I HA 0.219 4.391 4.170 0.003 0.000 0.291 221 I C -2.341 173.915 176.117 0.232 0.000 1.033 221 I CA -2.293 59.121 61.300 0.190 0.000 1.253 221 I CB 0.693 38.769 38.000 0.126 0.000 1.396 221 I HN 0.253 nan 8.210 nan 0.000 0.476 222 P HA -0.017 nan 4.420 nan 0.000 0.262 222 P C 0.890 178.247 177.300 0.096 0.000 1.199 222 P CA -0.027 63.161 63.100 0.146 0.000 0.763 222 P CB 0.226 32.000 31.700 0.123 0.000 0.790 223 F N 5.451 125.396 119.950 -0.008 0.000 2.065 223 F HA -0.356 4.173 4.527 0.003 0.000 0.290 223 F C 1.979 177.748 175.800 -0.053 0.000 1.079 223 F CA 2.251 60.248 58.000 -0.005 0.000 1.261 223 F CB -1.078 37.903 39.000 -0.030 0.000 0.968 223 F HN 0.153 nan 8.300 nan 0.000 0.496 224 V N 0.685 120.385 119.914 -0.356 0.000 2.343 224 V HA -0.282 3.840 4.120 0.003 0.000 0.247 224 V C 2.356 178.237 176.094 -0.355 0.000 1.051 224 V CA 2.219 64.239 62.300 -0.467 0.000 1.036 224 V CB -0.428 31.259 31.823 -0.226 0.000 0.654 224 V HN 0.479 nan 8.190 nan 0.000 0.451 225 I N -0.648 119.790 120.570 -0.219 0.000 2.127 225 I HA -0.309 3.863 4.170 0.003 0.000 0.241 225 I C 2.398 178.408 176.117 -0.178 0.000 1.075 225 I CA 1.926 63.120 61.300 -0.177 0.000 1.334 225 I CB -0.446 37.514 38.000 -0.065 0.000 1.040 225 I HN 0.276 nan 8.210 nan 0.000 0.405 226 L N -0.294 120.833 121.223 -0.160 0.000 2.056 226 L HA -0.132 4.211 4.340 0.003 0.000 0.207 226 L C 2.067 178.791 176.870 -0.244 0.000 1.078 226 L CA 0.945 55.688 54.840 -0.162 0.000 0.749 226 L CB -0.198 41.829 42.059 -0.054 0.000 0.901 226 L HN 0.313 nan 8.230 nan 0.000 0.433 227 M N -0.249 119.127 119.600 -0.373 0.000 2.915 227 M HA -0.058 4.424 4.480 0.003 0.000 0.206 227 M C 1.186 177.314 176.300 -0.287 0.000 1.271 227 M CA 0.884 55.955 55.300 -0.382 0.000 1.122 227 M CB -0.596 31.562 32.600 -0.737 0.000 1.655 227 M HN 0.304 nan 8.290 nan 0.000 0.434 228 R N -1.493 118.869 120.500 -0.230 0.000 3.709 228 R HA 0.190 4.532 4.340 0.003 0.000 0.111 228 R C 1.793 178.004 176.300 -0.149 0.000 0.726 228 R CA 0.855 56.849 56.100 -0.177 0.000 1.576 228 R CB -0.483 29.705 30.300 -0.187 0.000 1.644 228 R HN 0.180 nan 8.270 nan 0.000 0.456 229 A N 1.886 124.615 122.820 -0.151 0.000 1.997 229 A HA -0.139 4.183 4.320 0.003 0.000 0.221 229 A C 1.940 179.442 177.584 -0.137 0.000 1.172 229 A CA 1.540 53.502 52.037 -0.125 0.000 0.645 229 A CB -0.650 18.280 19.000 -0.116 0.000 0.813 229 A HN 0.325 nan 8.150 nan 0.000 0.454 230 L N -1.880 119.239 121.223 -0.173 0.000 2.005 230 L HA 0.090 4.432 4.340 0.003 0.000 0.207 230 L C 1.601 178.391 176.870 -0.133 0.000 1.072 230 L CA 1.229 55.962 54.840 -0.179 0.000 0.744 230 L CB -0.332 41.599 42.059 -0.213 0.000 0.895 230 L HN 0.583 nan 8.230 nan 0.000 0.433 231 G N -0.120 108.607 108.800 -0.122 0.000 3.643 231 G HA2 0.154 4.116 3.960 0.003 0.000 0.232 231 G HA3 0.154 4.116 3.960 0.003 0.000 0.232 231 G C -0.751 174.098 174.900 -0.086 0.000 3.381 231 G CA -0.733 44.308 45.100 -0.098 0.000 0.783 231 G HN -0.022 nan 8.290 nan 0.000 0.357 232 I N 1.732 122.250 120.570 -0.086 0.000 2.563 232 I HA 0.335 4.507 4.170 0.003 0.000 0.281 232 I C 0.876 176.948 176.117 -0.074 0.000 1.110 232 I CA -0.527 60.736 61.300 -0.062 0.000 1.073 232 I CB 1.154 39.126 38.000 -0.046 0.000 1.215 232 I HN 0.122 nan 8.210 nan 0.000 0.460 233 L N 3.053 124.241 121.223 -0.059 0.000 2.129 233 L HA 0.142 4.484 4.340 0.003 0.000 0.200 233 L C 0.965 177.804 176.870 -0.052 0.000 1.159 233 L CA 0.691 55.493 54.840 -0.063 0.000 0.795 233 L CB -0.318 41.708 42.059 -0.055 0.000 0.951 233 L HN 0.480 nan 8.230 nan 0.000 0.463 234 T N 0.738 115.268 114.554 -0.040 0.000 2.923 234 T HA -0.127 4.225 4.350 0.003 0.000 0.309 234 T C 0.622 175.312 174.700 -0.015 0.000 1.059 234 T CA 0.083 62.163 62.100 -0.033 0.000 1.133 234 T CB 0.383 69.228 68.868 -0.039 0.000 1.053 234 T HN 0.254 nan 8.240 nan 0.000 0.530 235 D N 2.002 122.399 120.400 -0.005 0.000 2.269 235 D HA -0.048 4.594 4.640 0.003 0.000 0.208 235 D C 1.859 178.191 176.300 0.053 0.000 0.963 235 D CA 0.729 54.749 54.000 0.033 0.000 0.864 235 D CB 0.048 40.869 40.800 0.034 0.000 0.936 235 D HN 0.496 nan 8.370 nan 0.000 0.505 236 R N 0.713 121.216 120.500 0.006 0.000 2.339 236 R HA -0.021 4.321 4.340 0.003 0.000 0.199 236 R C 0.946 177.217 176.300 -0.048 0.000 1.018 236 R CA 0.481 56.560 56.100 -0.035 0.000 1.036 236 R CB 0.268 30.501 30.300 -0.112 0.000 0.899 236 R HN 0.144 nan 8.270 nan 0.000 0.473 237 D N -0.036 120.378 120.400 0.024 0.000 2.615 237 D HA 0.081 4.723 4.640 0.003 0.000 0.259 237 D C 1.872 178.255 176.300 0.138 0.000 0.999 237 D CA 0.538 54.572 54.000 0.056 0.000 0.938 237 D CB 0.279 41.097 40.800 0.030 0.000 1.121 237 D HN 0.086 nan 8.370 nan 0.000 0.487 238 I N 1.157 121.809 120.570 0.136 0.000 2.163 238 I HA -0.194 3.978 4.170 0.003 0.000 0.240 238 I C 2.484 178.794 176.117 0.323 0.000 1.081 238 I CA 0.607 62.026 61.300 0.199 0.000 1.353 238 I CB -0.268 37.836 38.000 0.172 0.000 1.054 238 I HN -0.160 nan 8.210 nan 0.000 0.407 239 V N 0.454 120.543 119.914 0.291 0.000 2.317 239 V HA -0.330 3.792 4.120 0.003 0.000 0.251 239 V C 2.217 178.308 176.094 -0.005 0.000 1.065 239 V CA 2.169 64.476 62.300 0.012 0.000 1.049 239 V CB -0.900 30.842 31.823 -0.135 0.000 0.651 239 V HN 0.352 nan 8.190 nan 0.000 0.450 240 Y N -0.272 119.996 120.300 -0.052 0.000 2.517 240 Y HA 0.297 4.849 4.550 0.003 0.000 0.281 240 Y C 2.291 178.143 175.900 -0.079 0.000 1.125 240 Y CA 0.210 58.275 58.100 -0.058 0.000 1.283 240 Y CB -0.779 37.656 38.460 -0.042 0.000 1.042 240 Y HN 0.155 nan 8.280 nan 0.000 0.547 241 A N -0.100 122.782 122.820 0.103 0.000 1.858 241 A HA -0.139 4.183 4.320 0.003 0.000 0.216 241 A C 2.314 179.659 177.584 -0.398 0.000 1.190 241 A CA 2.007 54.001 52.037 -0.071 0.000 0.617 241 A CB -1.197 17.879 19.000 0.127 0.000 0.827 241 A HN 0.147 nan 8.150 nan 0.000 0.443 242 V N 0.437 120.266 119.914 -0.142 0.000 2.246 242 V HA -0.141 3.981 4.120 0.003 0.000 0.237 242 V C 1.371 177.246 176.094 -0.365 0.000 1.025 242 V CA 1.930 64.098 62.300 -0.220 0.000 0.993 242 V CB -1.031 30.887 31.823 0.158 0.000 0.642 242 V HN 0.742 nan 8.190 nan 0.000 0.466 243 S N -0.500 115.159 115.700 -0.069 0.000 2.568 243 S HA 0.756 5.228 4.470 0.003 0.000 0.293 243 S C -1.024 173.553 174.600 -0.038 0.000 1.089 243 S CA -0.706 57.523 58.200 0.048 0.000 0.945 243 S CB 1.957 65.223 63.200 0.111 0.000 1.077 243 S HN 0.237 nan 8.310 nan 0.000 0.485 244 L N 1.944 123.192 121.223 0.042 0.000 2.287 244 L HA 0.474 4.816 4.340 0.003 0.000 0.287 244 L C -0.039 176.769 176.870 -0.103 0.000 1.022 244 L CA -0.389 54.383 54.840 -0.114 0.000 0.814 244 L CB 0.637 42.635 42.059 -0.103 0.000 1.217 244 L HN 0.837 nan 8.230 nan 0.000 0.420 245 D N 2.583 122.846 120.400 -0.228 0.000 2.723 245 D HA -0.128 4.514 4.640 0.003 0.000 0.236 245 D C -1.769 174.473 176.300 -0.097 0.000 1.138 245 D CA 0.598 54.507 54.000 -0.151 0.000 0.676 245 D CB -0.027 40.744 40.800 -0.049 0.000 1.069 245 D HN 0.472 nan 8.370 nan 0.000 0.430 246 P HA 0.125 nan 4.420 nan 0.000 0.260 246 P C 0.784 178.044 177.300 -0.066 0.000 1.203 246 P CA 0.293 63.368 63.100 -0.043 0.000 0.866 246 P CB 0.815 32.522 31.700 0.013 0.000 1.163 247 E N -0.999 119.123 120.200 -0.131 0.000 5.289 247 E HA -0.215 4.137 4.350 0.003 0.000 0.167 247 E C 1.440 177.994 176.600 -0.076 0.000 1.276 247 E CA 1.789 58.111 56.400 -0.130 0.000 2.067 247 E CB -2.247 27.396 29.700 -0.095 0.000 1.871 247 E HN 0.023 nan 8.360 nan 0.000 0.359 248 V N 2.250 122.151 119.914 -0.021 0.000 2.944 248 V HA -0.323 3.799 4.120 0.003 0.000 0.265 248 V C 2.471 178.602 176.094 0.062 0.000 1.125 248 V CA 2.479 64.796 62.300 0.029 0.000 1.145 248 V CB -0.980 30.880 31.823 0.061 0.000 0.725 248 V HN 0.399 nan 8.190 nan 0.000 0.510 249 Q N 0.398 120.224 119.800 0.044 0.000 1.941 249 Q HA -0.188 4.154 4.340 0.003 0.000 0.201 249 Q C 1.984 178.104 176.000 0.200 0.000 0.982 249 Q CA 1.705 57.630 55.803 0.202 0.000 0.839 249 Q CB -0.703 28.037 28.738 0.005 0.000 0.904 249 Q HN 0.519 nan 8.270 nan 0.000 0.427 250 N N 1.427 119.946 118.700 -0.302 0.000 2.139 250 N HA -0.264 4.478 4.740 0.003 0.000 0.199 250 N C 1.508 177.053 175.510 0.059 0.000 1.003 250 N CA 1.996 54.865 53.050 -0.302 0.000 0.892 250 N CB -0.407 37.935 38.487 -0.241 0.000 1.039 250 N HN 0.476 nan 8.380 nan 0.000 0.461 251 E N 0.223 120.450 120.200 0.045 0.000 2.444 251 E HA -0.143 4.209 4.350 0.003 0.000 0.205 251 E C 0.717 177.328 176.600 0.018 0.000 1.054 251 E CA 0.618 57.040 56.400 0.037 0.000 0.873 251 E CB -0.035 29.683 29.700 0.030 0.000 0.793 251 E HN 0.459 nan 8.360 nan 0.000 0.549 252 L N -1.566 119.721 121.223 0.107 0.000 3.573 252 L HA 0.164 4.506 4.340 0.003 0.000 0.335 252 L C 0.265 177.018 176.870 -0.196 0.000 1.321 252 L CA -0.354 54.435 54.840 -0.084 0.000 1.009 252 L CB 0.452 42.378 42.059 -0.221 0.000 1.417 252 L HN -0.012 nan 8.230 nan 0.000 0.619 253 F N 0.824 120.645 119.950 -0.215 0.000 2.743 253 F HA 0.153 4.682 4.527 0.004 0.000 0.297 253 F C -0.390 175.323 175.800 -0.144 0.000 1.131 253 F CA -0.474 57.405 58.000 -0.202 0.000 1.426 253 F CB -0.936 37.992 39.000 -0.121 0.000 1.116 253 F HN 0.072 nan 8.300 nan 0.000 0.583 254 P HA -0.132 nan 4.420 nan 0.000 0.215 254 P C 1.842 179.132 177.300 -0.017 0.000 1.157 254 P CA 1.909 65.021 63.100 0.020 0.000 0.856 254 P CB -0.137 31.578 31.700 0.025 0.000 0.786 255 S N 0.890 116.567 115.700 -0.039 0.000 2.392 255 S HA -0.196 4.276 4.470 0.003 0.000 0.232 255 S C 2.187 176.755 174.600 -0.052 0.000 1.041 255 S CA 1.517 59.712 58.200 -0.008 0.000 1.026 255 S CB -1.880 61.357 63.200 0.062 0.000 0.845 255 S HN 0.100 nan 8.310 nan 0.000 0.465 256 L N 1.164 122.285 121.223 -0.170 0.000 2.056 256 L HA -0.022 4.321 4.340 0.003 0.000 0.207 256 L C 2.490 179.330 176.870 -0.050 0.000 1.078 256 L CA 1.557 56.318 54.840 -0.132 0.000 0.749 256 L CB -0.807 41.147 42.059 -0.176 0.000 0.901 256 L HN 0.380 nan 8.230 nan 0.000 0.433 257 E N 0.351 120.533 120.200 -0.030 0.000 2.520 257 E HA -0.207 4.145 4.350 0.003 0.000 0.201 257 E C 1.795 178.392 176.600 -0.006 0.000 1.122 257 E CA -0.047 56.344 56.400 -0.015 0.000 0.896 257 E CB -0.118 29.585 29.700 0.004 0.000 0.891 257 E HN 0.471 nan 8.360 nan 0.000 0.533 258 Q N 1.002 120.803 119.800 0.002 0.000 2.156 258 Q HA -0.195 4.147 4.340 0.003 0.000 0.211 258 Q C 0.162 176.183 176.000 0.034 0.000 0.995 258 Q CA 1.536 57.359 55.803 0.033 0.000 0.877 258 Q CB 0.059 28.832 28.738 0.057 0.000 0.920 258 Q HN 0.207 nan 8.270 nan 0.000 0.416 259 A N 0.335 123.160 122.820 0.009 0.000 2.340 259 A HA 0.406 4.729 4.320 0.003 0.000 0.297 259 A C 0.135 177.675 177.584 -0.074 0.000 1.195 259 A CA -0.168 51.866 52.037 -0.006 0.000 0.769 259 A CB 1.330 20.343 19.000 0.020 0.000 1.163 259 A HN 0.326 nan 8.150 nan 0.000 0.472 260 S N 0.850 116.513 115.700 -0.062 0.000 2.539 260 S HA 0.034 4.506 4.470 0.003 0.000 0.221 260 S C 1.034 175.569 174.600 -0.110 0.000 0.987 260 S CA 0.663 58.811 58.200 -0.087 0.000 0.929 260 S CB 0.014 63.186 63.200 -0.046 0.000 0.832 260 S HN 0.513 nan 8.310 nan 0.000 0.492 261 S N 1.598 117.238 115.700 -0.100 0.000 2.500 261 S HA 0.141 4.614 4.470 0.003 0.000 0.239 261 S C 0.296 174.729 174.600 -0.277 0.000 0.989 261 S CA 0.542 58.709 58.200 -0.055 0.000 0.951 261 S CB -0.490 62.795 63.200 0.140 0.000 0.759 261 S HN 0.532 nan 8.310 nan 0.000 0.523 262 I N 1.607 121.855 120.570 -0.536 0.000 2.276 262 I HA 0.312 4.485 4.170 0.003 0.000 0.290 262 I C 0.862 176.790 176.117 -0.315 0.000 1.109 262 I CA -0.364 60.518 61.300 -0.696 0.000 1.229 262 I CB 0.481 37.972 38.000 -0.849 0.000 1.452 262 I HN 0.007 nan 8.210 nan 0.000 0.497 263 A N 5.412 128.120 122.820 -0.187 0.000 1.849 263 A HA 0.096 4.418 4.320 0.003 0.000 0.214 263 A C 1.450 178.976 177.584 -0.096 0.000 1.269 263 A CA 0.673 52.644 52.037 -0.110 0.000 0.605 263 A CB -0.293 18.672 19.000 -0.058 0.000 0.937 263 A HN 0.573 nan 8.150 nan 0.000 0.461 264 N N -0.409 118.252 118.700 -0.065 0.000 2.250 264 N HA 0.139 4.881 4.740 0.003 0.000 0.256 264 N C 1.073 176.545 175.510 -0.062 0.000 1.302 264 N CA 0.782 53.803 53.050 -0.049 0.000 0.894 264 N CB 0.209 38.684 38.487 -0.020 0.000 1.067 264 N HN 0.069 nan 8.380 nan 0.000 0.487 265 V N -0.232 119.655 119.914 -0.045 0.000 3.523 265 V HA 0.016 4.138 4.120 0.003 0.000 0.255 265 V C 1.374 177.451 176.094 -0.027 0.000 1.226 265 V CA 0.637 62.907 62.300 -0.050 0.000 1.092 265 V CB -0.098 31.695 31.823 -0.050 0.000 0.817 265 V HN 0.442 nan 8.190 nan 0.000 0.458 266 D N 0.987 121.381 120.400 -0.009 0.000 2.162 266 D HA -0.114 4.528 4.640 0.003 0.000 0.203 266 D C 1.415 177.742 176.300 0.045 0.000 0.967 266 D CA 1.352 55.358 54.000 0.011 0.000 0.840 266 D CB 0.103 40.910 40.800 0.011 0.000 0.972 266 D HN 0.421 nan 8.370 nan 0.000 0.482 267 D N 0.314 120.749 120.400 0.057 0.000 2.312 267 D HA -0.004 4.638 4.640 0.003 0.000 0.211 267 D C 1.682 178.069 176.300 0.145 0.000 0.964 267 D CA 0.358 54.450 54.000 0.155 0.000 0.877 267 D CB 0.035 40.909 40.800 0.123 0.000 0.924 267 D HN 0.082 nan 8.370 nan 0.000 0.515 268 A N -0.209 122.621 122.820 0.016 0.000 2.169 268 A HA 0.089 4.411 4.320 0.003 0.000 0.212 268 A C 1.662 179.259 177.584 0.021 0.000 1.153 268 A CA 0.489 52.507 52.037 -0.031 0.000 0.756 268 A CB -0.162 18.788 19.000 -0.083 0.000 0.813 268 A HN 0.237 nan 8.150 nan 0.000 0.471 269 L N -1.607 119.645 121.223 0.048 0.000 2.731 269 L HA 0.165 4.507 4.340 0.003 0.000 0.240 269 L C 1.055 177.964 176.870 0.064 0.000 1.120 269 L CA 0.043 54.904 54.840 0.035 0.000 0.913 269 L CB 0.109 42.172 42.059 0.006 0.000 1.213 269 L HN 0.157 nan 8.230 nan 0.000 0.515 270 D N 0.323 120.797 120.400 0.124 0.000 2.259 270 D HA 0.004 4.646 4.640 0.003 0.000 0.216 270 D C 1.638 177.985 176.300 0.078 0.000 0.961 270 D CA 1.010 55.061 54.000 0.085 0.000 0.878 270 D CB 0.206 41.054 40.800 0.080 0.000 1.009 270 D HN 0.147 nan 8.370 nan 0.000 0.490 271 F N 0.761 120.705 119.950 -0.010 0.000 2.773 271 F HA 0.075 4.604 4.527 0.003 0.000 0.299 271 F C 1.925 177.727 175.800 0.004 0.000 1.204 271 F CA 0.538 58.538 58.000 -0.000 0.000 1.454 271 F CB -0.022 38.976 39.000 -0.003 0.000 1.117 271 F HN -0.011 nan 8.300 nan 0.000 0.590 272 I N -2.795 117.859 120.570 0.139 0.000 3.685 272 I HA 0.115 4.287 4.170 0.003 0.000 0.258 272 I C 2.517 178.660 176.117 0.044 0.000 1.135 272 I CA 0.659 62.007 61.300 0.080 0.000 1.436 272 I CB -1.026 37.006 38.000 0.054 0.000 1.670 272 I HN -0.111 nan 8.210 nan 0.000 0.424 273 G N 1.811 110.630 108.800 0.032 0.000 2.507 273 G HA2 -0.325 3.637 3.960 0.003 0.000 0.221 273 G HA3 -0.325 3.637 3.960 0.003 0.000 0.221 273 G C 1.724 176.628 174.900 0.007 0.000 1.119 273 G CA 1.612 46.720 45.100 0.014 0.000 0.751 273 G HN 0.513 nan 8.290 nan 0.000 0.574 274 S N 0.687 116.386 115.700 -0.002 0.000 2.374 274 S HA -0.144 4.328 4.470 0.003 0.000 0.227 274 S C 1.835 176.431 174.600 -0.005 0.000 1.037 274 S CA 0.919 59.106 58.200 -0.021 0.000 1.024 274 S CB -0.310 62.855 63.200 -0.060 0.000 0.861 274 S HN 0.434 nan 8.310 nan 0.000 0.456 275 R N 1.412 121.920 120.500 0.013 0.000 4.160 275 R HA 0.330 4.672 4.340 0.003 0.000 0.216 275 R C -0.624 175.694 176.300 0.030 0.000 2.009 275 R CA -0.124 55.992 56.100 0.026 0.000 1.664 275 R CB -0.518 29.811 30.300 0.047 0.000 1.216 275 R HN 0.322 nan 8.270 nan 0.000 0.648 276 V N -1.155 118.769 119.914 0.017 0.000 3.149 276 V HA 0.404 4.526 4.120 0.003 0.000 0.310 276 V C -0.282 175.817 176.094 0.008 0.000 1.353 276 V CA -1.280 61.029 62.300 0.016 0.000 1.040 276 V CB 1.205 33.034 31.823 0.010 0.000 1.136 276 V HN 0.187 nan 8.190 nan 0.000 0.477 277 A N 1.091 123.914 122.820 0.005 0.000 2.496 277 A HA 0.391 4.713 4.320 0.003 0.000 0.278 277 A C -0.018 177.564 177.584 -0.003 0.000 1.137 277 A CA 0.273 52.311 52.037 0.002 0.000 0.805 277 A CB -1.059 17.942 19.000 0.001 0.000 1.077 277 A HN 0.525 nan 8.150 nan 0.000 0.513 278 I N 1.530 122.097 120.570 -0.005 0.000 3.138 278 I HA 0.355 4.527 4.170 0.003 0.000 0.288 278 I C 1.706 177.818 176.117 -0.010 0.000 1.148 278 I CA 0.982 62.276 61.300 -0.010 0.000 1.315 278 I CB 0.515 38.507 38.000 -0.013 0.000 1.426 278 I HN 0.912 nan 8.210 nan 0.000 0.615 279 G N 2.144 110.936 108.800 -0.012 0.000 2.267 279 G HA2 -0.263 3.699 3.960 0.003 0.000 0.257 279 G HA3 -0.263 3.699 3.960 0.003 0.000 0.257 279 G C 0.277 175.172 174.900 -0.009 0.000 0.998 279 G CA -0.148 44.946 45.100 -0.011 0.000 0.620 279 G HN 0.657 nan 8.290 nan 0.000 0.529 280 Q N 1.035 120.830 119.800 -0.009 0.000 2.340 280 Q HA 0.446 4.788 4.340 0.003 0.000 0.249 280 Q C 0.456 176.451 176.000 -0.008 0.000 0.957 280 Q CA -0.342 55.457 55.803 -0.007 0.000 0.882 280 Q CB 0.716 29.450 28.738 -0.007 0.000 1.235 280 Q HN 0.425 nan 8.270 nan 0.000 0.439 281 K N 1.535 121.931 120.400 -0.007 0.000 2.619 281 K HA -0.213 4.109 4.320 0.003 0.000 0.278 281 K C 1.078 177.673 176.600 -0.008 0.000 0.969 281 K CA 0.064 56.347 56.287 -0.007 0.000 1.042 281 K CB 0.366 32.863 32.500 -0.006 0.000 0.845 281 K HN 0.464 nan 8.250 nan 0.000 0.497 282 R N 2.386 122.882 120.500 -0.007 0.000 2.105 282 R HA -0.160 4.182 4.340 0.003 0.000 0.239 282 R C 1.325 177.622 176.300 -0.005 0.000 1.135 282 R CA 1.674 57.770 56.100 -0.007 0.000 0.967 282 R CB -0.147 30.150 30.300 -0.006 0.000 0.861 282 R HN 0.573 nan 8.270 nan 0.000 0.442 283 E N -0.128 120.069 120.200 -0.004 0.000 2.482 283 E HA -0.037 4.315 4.350 0.003 0.000 0.196 283 E C 0.421 177.018 176.600 -0.005 0.000 1.047 283 E CA 0.475 56.872 56.400 -0.004 0.000 0.869 283 E CB -0.113 29.585 29.700 -0.004 0.000 0.836 283 E HN 0.231 nan 8.360 nan 0.000 0.520 284 N N -0.432 118.264 118.700 -0.006 0.000 2.279 284 N HA 0.133 4.875 4.740 0.003 0.000 0.226 284 N C 0.396 175.901 175.510 -0.008 0.000 1.126 284 N CA 0.043 53.089 53.050 -0.007 0.000 0.846 284 N CB 0.490 38.973 38.487 -0.006 0.000 1.050 284 N HN 0.015 nan 8.380 nan 0.000 0.502 285 R N -0.800 119.696 120.500 -0.007 0.000 2.446 285 R HA 0.370 4.712 4.340 0.003 0.000 0.254 285 R C 1.013 177.310 176.300 -0.005 0.000 0.918 285 R CA 0.139 56.235 56.100 -0.007 0.000 1.069 285 R CB 0.610 30.905 30.300 -0.008 0.000 1.194 285 R HN 0.199 nan 8.270 nan 0.000 0.534 286 I N 0.813 121.379 120.570 -0.006 0.000 2.364 286 I HA -0.088 4.084 4.170 0.003 0.000 0.241 286 I C 1.902 178.010 176.117 -0.015 0.000 1.082 286 I CA 1.062 62.357 61.300 -0.008 0.000 1.401 286 I CB -0.089 37.907 38.000 -0.007 0.000 1.126 286 I HN 0.098 nan 8.210 nan 0.000 0.429 287 E N 1.255 121.446 120.200 -0.015 0.000 2.023 287 E HA -0.273 4.079 4.350 0.003 0.000 0.196 287 E C 1.637 178.219 176.600 -0.030 0.000 1.003 287 E CA 1.277 57.665 56.400 -0.020 0.000 0.809 287 E CB -0.096 29.594 29.700 -0.016 0.000 0.755 287 E HN 0.193 nan 8.360 nan 0.000 0.449 288 K N -0.316 120.067 120.400 -0.029 0.000 3.025 288 K HA 0.068 4.390 4.320 0.003 0.000 0.260 288 K C 0.262 176.839 176.600 -0.039 0.000 1.023 288 K CA 0.278 56.540 56.287 -0.042 0.000 1.194 288 K CB 0.115 32.596 32.500 -0.033 0.000 1.094 288 K HN 0.129 nan 8.250 nan 0.000 0.460 289 A N -0.756 122.043 122.820 -0.034 0.000 2.167 289 A HA 0.087 4.409 4.320 0.003 0.000 0.184 289 A C 1.558 179.122 177.584 -0.033 0.000 1.675 289 A CA -0.216 51.807 52.037 -0.023 0.000 1.215 289 A CB 0.225 19.218 19.000 -0.011 0.000 1.427 289 A HN 0.331 nan 8.150 nan 0.000 0.457 290 Q N -0.327 119.450 119.800 -0.038 0.000 2.259 290 Q HA 0.017 4.359 4.340 0.003 0.000 0.201 290 Q C 1.938 177.911 176.000 -0.046 0.000 0.938 290 Q CA 0.909 56.686 55.803 -0.043 0.000 0.872 290 Q CB 0.119 28.835 28.738 -0.036 0.000 0.971 290 Q HN 0.719 nan 8.270 nan 0.000 0.494 291 Q N 0.204 119.973 119.800 -0.052 0.000 2.123 291 Q HA -0.031 4.311 4.340 0.003 0.000 0.199 291 Q C 1.081 177.019 176.000 -0.104 0.000 0.966 291 Q CA 0.535 56.301 55.803 -0.062 0.000 0.845 291 Q CB 0.284 28.985 28.738 -0.063 0.000 0.907 291 Q HN 0.305 nan 8.270 nan 0.000 0.439 292 I N 1.488 121.975 120.570 -0.138 0.000 3.518 292 I HA -0.082 4.090 4.170 0.003 0.000 0.305 292 I C 0.890 177.027 176.117 0.034 0.000 1.204 292 I CA 0.915 62.100 61.300 -0.191 0.000 1.211 292 I CB -0.828 37.089 38.000 -0.137 0.000 1.018 292 I HN 0.247 nan 8.210 nan 0.000 0.500 293 I N -0.427 120.169 120.570 0.044 0.000 4.547 293 I HA 0.028 4.200 4.170 0.003 0.000 0.303 293 I C 1.541 177.716 176.117 0.096 0.000 1.188 293 I CA 0.388 61.741 61.300 0.089 0.000 1.320 293 I CB -0.468 37.500 38.000 -0.052 0.000 1.495 293 I HN 0.100 nan 8.210 nan 0.000 0.462 294 D N 2.629 123.046 120.400 0.028 0.000 2.312 294 D HA -0.097 4.545 4.640 0.003 0.000 0.211 294 D C 1.695 177.991 176.300 -0.008 0.000 0.964 294 D CA 1.008 55.001 54.000 -0.013 0.000 0.877 294 D CB 0.516 41.292 40.800 -0.039 0.000 0.924 294 D HN 0.576 nan 8.370 nan 0.000 0.515 295 K N -0.832 119.650 120.400 0.136 0.000 2.424 295 K HA 0.029 4.351 4.320 0.003 0.000 0.198 295 K C 0.012 176.935 176.600 0.538 0.000 1.190 295 K CA -0.035 56.416 56.287 0.273 0.000 0.935 295 K CB 0.541 33.268 32.500 0.379 0.000 1.087 295 K HN -0.064 nan 8.250 nan 0.000 0.524 296 Y N 1.028 121.422 120.300 0.157 0.000 2.915 296 Y HA 0.449 5.001 4.550 0.003 0.000 0.350 296 Y C -1.284 174.946 175.900 0.550 0.000 1.061 296 Y CA -1.921 56.325 58.100 0.243 0.000 1.179 296 Y CB 0.144 38.746 38.460 0.237 0.000 1.180 296 Y HN 0.150 nan 8.280 nan 0.000 0.605 297 F N 2.196 122.402 119.950 0.428 0.000 3.796 297 F HA 0.216 4.745 4.527 0.003 0.000 0.450 297 F C -0.853 175.049 175.800 0.169 0.000 0.818 297 F CA -0.764 57.550 58.000 0.524 0.000 1.663 297 F CB -0.044 39.121 39.000 0.275 0.000 2.576 297 F HN 0.173 nan 8.300 nan 0.000 0.809 298 L N 3.644 124.990 121.223 0.205 0.000 3.472 298 L HA -0.171 4.171 4.340 0.003 0.000 0.596 298 L C -2.157 174.681 176.870 -0.053 0.000 1.310 298 L CA -0.230 54.552 54.840 -0.096 0.000 0.966 298 L CB -0.720 41.326 42.059 -0.021 0.000 1.626 298 L HN 0.309 nan 8.230 nan 0.000 0.865 299 P HA -0.085 nan 4.420 nan 0.000 0.278 299 P C 0.605 178.015 177.300 0.184 0.000 1.366 299 P CA 1.031 64.183 63.100 0.087 0.000 0.750 299 P CB 0.015 31.756 31.700 0.068 0.000 1.271 300 H N -0.998 118.086 119.070 0.023 0.000 2.174 300 H HA 0.141 4.699 4.556 0.003 0.000 0.336 300 H C 0.771 176.099 175.328 0.000 0.000 1.810 300 H CA -1.399 54.648 56.048 -0.001 0.000 1.416 300 H CB -0.001 29.735 29.762 -0.043 0.000 1.688 300 H HN -0.117 nan 8.280 nan 0.000 0.576 301 L N 0.960 122.269 121.223 0.144 0.000 2.678 301 L HA -0.051 4.291 4.340 0.003 0.000 0.285 301 L C 0.728 177.639 176.870 0.069 0.000 1.233 301 L CA 0.683 55.575 54.840 0.086 0.000 0.920 301 L CB -0.623 41.470 42.059 0.057 0.000 1.176 301 L HN 0.944 nan 8.230 nan 0.000 0.495 302 G N 2.164 110.995 108.800 0.052 0.000 3.187 302 G HA2 0.126 4.088 3.960 0.003 0.000 0.682 302 G HA3 0.126 4.088 3.960 0.003 0.000 0.682 302 G C -0.154 174.702 174.900 -0.072 0.000 1.266 302 G CA -0.272 44.835 45.100 0.011 0.000 0.902 302 G HN 0.590 nan 8.290 nan 0.000 0.589 303 T N -0.202 114.291 114.554 -0.101 0.000 4.098 303 T HA 0.146 4.498 4.350 0.003 0.000 0.291 303 T C 0.754 175.409 174.700 -0.074 0.000 0.931 303 T CA 0.727 62.690 62.100 -0.228 0.000 0.688 303 T CB -0.728 67.639 68.868 -0.835 0.000 1.129 303 T HN 1.995 nan 8.240 nan 0.000 0.839 304 S N 1.392 117.099 115.700 0.011 0.000 2.462 304 S HA 0.826 5.298 4.470 0.003 0.000 0.294 304 S C 1.694 176.305 174.600 0.018 0.000 1.144 304 S CA 0.025 58.257 58.200 0.053 0.000 1.088 304 S CB 1.719 64.972 63.200 0.088 0.000 1.009 304 S HN 0.416 nan 8.310 nan 0.000 0.484 305 A N 3.048 125.877 122.820 0.014 0.000 1.887 305 A HA -0.294 4.028 4.320 0.003 0.000 0.225 305 A C 1.789 179.366 177.584 -0.011 0.000 1.464 305 A CA 2.376 54.411 52.037 -0.004 0.000 0.717 305 A CB -1.645 17.355 19.000 0.001 0.000 0.848 305 A HN 0.969 nan 8.150 nan 0.000 0.477 306 E N -0.015 120.184 120.200 -0.000 0.000 2.501 306 E HA -0.117 4.235 4.350 0.003 0.000 0.203 306 E C -0.419 176.178 176.600 -0.006 0.000 1.072 306 E CA 0.758 57.155 56.400 -0.004 0.000 0.885 306 E CB -0.198 29.506 29.700 0.006 0.000 0.813 306 E HN 0.537 nan 8.360 nan 0.000 0.556 307 D N -0.148 120.250 120.400 -0.004 0.000 2.749 307 D HA 0.161 4.803 4.640 0.003 0.000 0.338 307 D C 0.502 176.791 176.300 -0.019 0.000 1.236 307 D CA -0.029 53.971 54.000 -0.000 0.000 0.845 307 D CB 0.618 41.432 40.800 0.024 0.000 1.080 307 D HN 0.079 nan 8.370 nan 0.000 0.497 308 R N -0.195 120.278 120.500 -0.046 0.000 2.412 308 R HA 0.160 4.502 4.340 0.003 0.000 0.212 308 R C 1.770 178.014 176.300 -0.094 0.000 0.878 308 R CA -0.084 55.967 56.100 -0.081 0.000 1.022 308 R CB 0.977 31.216 30.300 -0.102 0.000 1.265 308 R HN -0.086 nan 8.270 nan 0.000 0.620 309 K N 1.493 121.834 120.400 -0.099 0.000 2.044 309 K HA 0.018 4.341 4.320 0.003 0.000 0.204 309 K C 1.167 177.655 176.600 -0.187 0.000 1.049 309 K CA 0.904 57.096 56.287 -0.160 0.000 0.945 309 K CB 0.074 32.471 32.500 -0.172 0.000 0.724 309 K HN -0.039 nan 8.250 nan 0.000 0.440 310 K N 1.660 122.003 120.400 -0.094 0.000 2.699 310 K HA -0.099 4.223 4.320 0.003 0.000 0.205 310 K C 1.050 177.798 176.600 0.248 0.000 1.008 310 K CA 0.758 57.055 56.287 0.018 0.000 1.100 310 K CB -0.052 32.483 32.500 0.059 0.000 0.878 310 K HN 0.272 nan 8.250 nan 0.000 0.496 311 K N -3.154 117.380 120.400 0.223 0.000 2.613 311 K HA 0.187 4.509 4.320 0.003 0.000 0.209 311 K C 1.335 178.145 176.600 0.351 0.000 1.556 311 K CA 0.158 56.683 56.287 0.397 0.000 1.017 311 K CB 0.195 32.785 32.500 0.150 0.000 1.291 311 K HN -0.030 nan 8.250 nan 0.000 0.629 312 A N 0.696 123.597 122.820 0.134 0.000 2.119 312 A HA 0.091 4.414 4.320 0.003 0.000 0.216 312 A C 1.476 179.198 177.584 0.229 0.000 1.152 312 A CA 0.474 52.551 52.037 0.066 0.000 0.708 312 A CB -0.814 18.147 19.000 -0.064 0.000 0.805 312 A HN 0.440 nan 8.150 nan 0.000 0.460 313 Y N -1.606 118.762 120.300 0.114 0.000 2.163 313 Y HA -0.288 4.264 4.550 0.003 0.000 0.288 313 Y C 2.248 178.098 175.900 -0.084 0.000 1.136 313 Y CA 1.336 59.415 58.100 -0.035 0.000 1.147 313 Y CB -0.247 38.160 38.460 -0.088 0.000 0.987 313 Y HN 0.451 nan 8.280 nan 0.000 0.509 314 Y N -0.453 120.131 120.300 0.473 0.000 2.315 314 Y HA -0.268 4.284 4.550 0.004 0.000 0.288 314 Y C 2.112 178.200 175.900 0.314 0.000 1.154 314 Y CA 0.724 59.060 58.100 0.394 0.000 1.229 314 Y CB -0.900 37.752 38.460 0.321 0.000 0.980 314 Y HN 0.085 nan 8.280 nan 0.000 0.540 315 L N -0.249 121.221 121.223 0.412 0.000 2.079 315 L HA -0.255 4.087 4.340 0.003 0.000 0.210 315 L C 2.537 179.585 176.870 0.297 0.000 1.081 315 L CA 1.944 57.022 54.840 0.396 0.000 0.752 315 L CB -1.109 41.227 42.059 0.460 0.000 0.896 315 L HN 0.257 nan 8.230 nan 0.000 0.433 316 A N -1.793 121.159 122.820 0.220 0.000 1.855 316 A HA -0.138 4.184 4.320 0.003 0.000 0.213 316 A C 2.006 179.536 177.584 -0.090 0.000 1.195 316 A CA 0.809 52.858 52.037 0.021 0.000 0.610 316 A CB -0.970 17.984 19.000 -0.076 0.000 0.837 316 A HN 0.410 nan 8.150 nan 0.000 0.444 317 Y N -0.190 120.125 120.300 0.025 0.000 2.751 317 Y HA 0.062 4.614 4.550 0.003 0.000 0.310 317 Y C 2.156 178.104 175.900 0.081 0.000 1.176 317 Y CA 0.257 58.357 58.100 0.000 0.000 1.360 317 Y CB -0.046 38.343 38.460 -0.118 0.000 0.999 317 Y HN 0.413 nan 8.280 nan 0.000 0.532 318 A N -0.991 121.952 122.820 0.204 0.000 2.026 318 A HA 0.087 4.410 4.320 0.003 0.000 0.198 318 A C 1.801 179.447 177.584 0.102 0.000 1.390 318 A CA 0.049 52.193 52.037 0.179 0.000 0.915 318 A CB -0.096 19.031 19.000 0.212 0.000 0.974 318 A HN 0.243 nan 8.150 nan 0.000 0.477 319 I N 1.823 122.416 120.570 0.037 0.000 2.361 319 I HA -0.138 4.034 4.170 0.003 0.000 0.251 319 I C 2.109 178.236 176.117 0.017 0.000 1.133 319 I CA 1.944 63.224 61.300 -0.033 0.000 1.413 319 I CB -1.051 36.758 38.000 -0.320 0.000 1.073 319 I HN 0.460 nan 8.210 nan 0.000 0.424 320 S N 0.179 115.900 115.700 0.035 0.000 2.942 320 S HA 0.066 4.539 4.470 0.003 0.000 0.244 320 S C 1.207 175.875 174.600 0.114 0.000 1.011 320 S CA 0.123 58.374 58.200 0.085 0.000 1.102 320 S CB -0.020 63.247 63.200 0.112 0.000 0.812 320 S HN 0.317 nan 8.310 nan 0.000 0.486 321 K N -0.117 120.343 120.400 0.101 0.000 2.665 321 K HA 0.214 4.537 4.320 0.003 0.000 0.197 321 K C 1.600 178.245 176.600 0.076 0.000 1.463 321 K CA 0.959 57.303 56.287 0.094 0.000 1.107 321 K CB -0.071 32.488 32.500 0.098 0.000 1.584 321 K HN 0.326 nan 8.250 nan 0.000 0.558 322 V N 3.449 123.409 119.914 0.076 0.000 2.256 322 V HA -0.159 3.963 4.120 0.003 0.000 0.240 322 V C 2.548 178.732 176.094 0.151 0.000 1.036 322 V CA 1.787 64.130 62.300 0.072 0.000 1.008 322 V CB -0.918 30.912 31.823 0.013 0.000 0.648 322 V HN 0.302 nan 8.190 nan 0.000 0.453 323 I N 0.098 120.773 120.570 0.175 0.000 2.264 323 I HA -0.166 4.006 4.170 0.003 0.000 0.248 323 I C 1.793 178.032 176.117 0.204 0.000 1.111 323 I CA 1.792 63.228 61.300 0.228 0.000 1.382 323 I CB -0.476 37.614 38.000 0.151 0.000 1.060 323 I HN 0.381 nan 8.210 nan 0.000 0.418 324 E N 1.077 121.366 120.200 0.148 0.000 2.614 324 E HA 0.076 4.428 4.350 0.003 0.000 0.321 324 E C 0.317 176.980 176.600 0.106 0.000 1.354 324 E CA -0.022 56.459 56.400 0.135 0.000 1.469 324 E CB -0.029 29.745 29.700 0.122 0.000 1.197 324 E HN 0.553 nan 8.360 nan 0.000 0.497 325 L N 1.696 122.996 121.223 0.128 0.000 5.593 325 L HA -0.016 4.326 4.340 0.003 0.000 0.581 325 L C 0.211 177.145 176.870 0.106 0.000 0.607 325 L CA 0.101 54.959 54.840 0.029 0.000 2.482 325 L CB -1.028 40.979 42.059 -0.087 0.000 2.063 325 L HN 0.316 nan 8.230 nan 0.000 0.558 326 Y N 0.856 121.229 120.300 0.122 0.000 2.014 326 Y HA -0.103 4.449 4.550 0.003 0.000 0.272 326 Y C 1.470 177.466 175.900 0.161 0.000 1.164 326 Y CA 2.722 60.947 58.100 0.207 0.000 1.114 326 Y CB 0.110 38.659 38.460 0.149 0.000 0.961 326 Y HN 0.136 nan 8.280 nan 0.000 0.489 327 L N 0.952 122.355 121.223 0.300 0.000 2.923 327 L HA 0.269 4.611 4.340 0.003 0.000 0.231 327 L C 0.425 177.353 176.870 0.097 0.000 1.300 327 L CA -0.260 54.690 54.840 0.184 0.000 1.184 327 L CB -0.745 41.435 42.059 0.203 0.000 1.511 327 L HN 0.421 nan 8.230 nan 0.000 0.448 328 G N 1.443 110.251 108.800 0.012 0.000 2.381 328 G HA2 -0.285 3.677 3.960 0.003 0.000 0.206 328 G HA3 -0.285 3.677 3.960 0.003 0.000 0.206 328 G C 0.731 175.518 174.900 -0.188 0.000 0.274 328 G CA 0.050 45.075 45.100 -0.124 0.000 1.035 328 G HN 0.577 nan 8.290 nan 0.000 0.449 329 R N 1.215 121.669 120.500 -0.076 0.000 2.509 329 R HA 0.176 4.518 4.340 0.003 0.000 0.297 329 R C 1.860 178.160 176.300 -0.001 0.000 0.951 329 R CA 0.441 56.572 56.100 0.051 0.000 1.103 329 R CB 0.606 31.025 30.300 0.199 0.000 1.283 329 R HN 0.692 nan 8.270 nan 0.000 0.534 330 R N -0.317 120.132 120.500 -0.084 0.000 3.296 330 R HA 0.307 4.649 4.340 0.003 0.000 0.114 330 R C -0.671 175.559 176.300 -0.116 0.000 1.534 330 R CA -0.507 55.553 56.100 -0.066 0.000 1.220 330 R CB 0.960 31.240 30.300 -0.034 0.000 1.141 330 R HN -0.081 nan 8.270 nan 0.000 0.426 331 E N 0.685 120.809 120.200 -0.127 0.000 7.496 331 E HA -0.032 4.320 4.350 0.003 0.000 0.207 331 E C -2.842 173.692 176.600 -0.109 0.000 0.884 331 E CA -0.399 55.919 56.400 -0.137 0.000 1.689 331 E CB 0.037 29.665 29.700 -0.119 0.000 0.893 331 E HN 0.114 nan 8.360 nan 0.000 0.267 332 P HA -0.183 nan 4.420 nan 0.000 0.262 332 P C -0.688 176.576 177.300 -0.060 0.000 1.126 332 P CA 0.767 63.813 63.100 -0.091 0.000 0.755 332 P CB 0.342 31.989 31.700 -0.087 0.000 0.716 333 D N 2.573 122.944 120.400 -0.048 0.000 2.520 333 D HA -0.075 4.567 4.640 0.003 0.000 0.243 333 D C 0.376 176.656 176.300 -0.033 0.000 1.160 333 D CA 0.720 54.696 54.000 -0.040 0.000 0.877 333 D CB 0.288 41.069 40.800 -0.031 0.000 1.150 333 D HN 0.338 nan 8.370 nan 0.000 0.494 334 D N 1.883 122.265 120.400 -0.029 0.000 2.343 334 D HA -0.010 4.632 4.640 0.003 0.000 0.255 334 D C 0.152 176.445 176.300 -0.012 0.000 1.187 334 D CA -0.251 53.752 54.000 0.005 0.000 0.875 334 D CB 0.480 41.308 40.800 0.046 0.000 1.136 334 D HN 0.286 nan 8.370 nan 0.000 0.469 335 K N 2.022 122.397 120.400 -0.043 0.000 2.814 335 K HA 0.285 4.607 4.320 0.003 0.000 0.213 335 K C -0.613 175.873 176.600 -0.190 0.000 1.113 335 K CA -0.522 55.709 56.287 -0.093 0.000 1.145 335 K CB 0.714 33.173 32.500 -0.069 0.000 0.948 335 K HN 0.122 nan 8.250 nan 0.000 0.464 336 D N 0.220 120.422 120.400 -0.331 0.000 2.562 336 D HA -0.016 4.626 4.640 0.003 0.000 0.246 336 D C -0.782 174.932 176.300 -0.976 0.000 1.347 336 D CA -0.224 53.419 54.000 -0.595 0.000 0.800 336 D CB 0.243 40.713 40.800 -0.551 0.000 1.111 336 D HN 0.315 nan 8.370 nan 0.000 0.508 337 H N 0.634 119.336 119.070 -0.613 0.000 2.934 337 H HA 0.092 4.650 4.556 0.004 0.000 0.273 337 H C -0.002 175.211 175.328 -0.193 0.000 1.121 337 H CA -0.055 55.874 56.048 -0.198 0.000 1.451 337 H CB -0.211 29.582 29.762 0.052 0.000 1.469 337 H HN -0.076 nan 8.280 nan 0.000 0.476 338 Y N 3.797 123.888 120.300 -0.348 0.000 2.844 338 Y HA 0.022 4.574 4.550 0.003 0.000 0.367 338 Y C 1.224 176.971 175.900 -0.255 0.000 1.133 338 Y CA 0.816 58.768 58.100 -0.246 0.000 1.424 338 Y CB -0.358 38.012 38.460 -0.150 0.000 1.503 338 Y HN 0.773 nan 8.280 nan 0.000 0.458 339 A N -0.675 122.017 122.820 -0.213 0.000 2.644 339 A HA 0.101 4.423 4.320 0.003 0.000 0.193 339 A C 1.024 178.606 177.584 -0.003 0.000 1.464 339 A CA 0.113 52.116 52.037 -0.057 0.000 1.095 339 A CB 0.119 19.123 19.000 0.008 0.000 1.405 339 A HN 0.386 nan 8.150 nan 0.000 0.558 340 N N -0.062 118.624 118.700 -0.024 0.000 2.299 340 N HA 0.213 4.955 4.740 0.003 0.000 0.246 340 N C -0.608 174.832 175.510 -0.116 0.000 1.254 340 N CA 0.088 53.120 53.050 -0.030 0.000 0.879 340 N CB 0.158 38.671 38.487 0.043 0.000 1.214 340 N HN 0.169 nan 8.380 nan 0.000 0.510 341 K N 0.441 120.732 120.400 -0.180 0.000 2.656 341 K HA 0.363 4.685 4.320 0.003 0.000 0.253 341 K C -1.278 175.228 176.600 -0.156 0.000 1.002 341 K CA -0.569 55.575 56.287 -0.238 0.000 0.880 341 K CB 1.053 33.265 32.500 -0.480 0.000 1.232 341 K HN 0.078 nan 8.250 nan 0.000 0.456 342 R N 2.789 123.241 120.500 -0.080 0.000 2.720 342 R HA 0.505 4.848 4.340 0.003 0.000 0.272 342 R C -0.332 175.966 176.300 -0.004 0.000 0.991 342 R CA -0.903 55.184 56.100 -0.022 0.000 1.010 342 R CB 0.823 31.111 30.300 -0.020 0.000 1.141 342 R HN 0.232 nan 8.270 nan 0.000 0.494 343 L N 0.610 121.846 121.223 0.022 0.000 2.970 343 L HA 0.567 4.909 4.340 0.003 0.000 0.214 343 L C 0.192 177.064 176.870 0.004 0.000 1.317 343 L CA -0.436 54.417 54.840 0.022 0.000 1.187 343 L CB 0.265 42.346 42.059 0.038 0.000 2.155 343 L HN 0.429 nan 8.230 nan 0.000 0.554 344 R N -0.147 120.351 120.500 -0.004 0.000 2.678 344 R HA 0.500 4.842 4.340 0.003 0.000 0.267 344 R C -1.985 174.287 176.300 -0.046 0.000 1.173 344 R CA -0.612 55.479 56.100 -0.015 0.000 1.061 344 R CB 1.428 31.724 30.300 -0.007 0.000 1.262 344 R HN 0.197 nan 8.270 nan 0.000 0.427 345 L N 1.706 122.882 121.223 -0.077 0.000 2.322 345 L HA 0.566 4.908 4.340 0.003 0.000 0.269 345 L C 1.543 178.330 176.870 -0.137 0.000 1.012 345 L CA 0.128 54.846 54.840 -0.204 0.000 0.815 345 L CB 1.288 43.192 42.059 -0.258 0.000 1.295 345 L HN 0.845 nan 8.230 nan 0.000 0.438 346 A N 2.000 124.692 122.820 -0.213 0.000 1.865 346 A HA -0.334 3.988 4.320 0.003 0.000 0.244 346 A C 2.062 179.706 177.584 0.100 0.000 1.984 346 A CA 2.995 55.050 52.037 0.030 0.000 0.785 346 A CB -1.838 17.210 19.000 0.080 0.000 0.849 346 A HN 0.993 nan 8.150 nan 0.000 0.501 347 G N 0.606 109.467 108.800 0.101 0.000 2.875 347 G HA2 -0.423 3.539 3.960 0.003 0.000 0.220 347 G HA3 -0.423 3.539 3.960 0.003 0.000 0.220 347 G C 0.853 175.856 174.900 0.172 0.000 1.293 347 G CA 1.678 46.880 45.100 0.169 0.000 0.789 347 G HN 0.809 nan 8.290 nan 0.000 0.677 348 D N 0.136 120.613 120.400 0.128 0.000 2.390 348 D HA 0.068 4.710 4.640 0.003 0.000 0.235 348 D C 1.668 178.014 176.300 0.077 0.000 1.040 348 D CA 0.253 54.321 54.000 0.114 0.000 0.923 348 D CB 0.166 41.007 40.800 0.067 0.000 0.886 348 D HN 0.285 nan 8.370 nan 0.000 0.532 349 L N -1.787 119.478 121.223 0.070 0.000 2.781 349 L HA 0.348 4.690 4.340 0.003 0.000 0.245 349 L C 0.911 177.796 176.870 0.025 0.000 1.118 349 L CA 0.114 54.976 54.840 0.037 0.000 0.918 349 L CB 0.109 42.187 42.059 0.031 0.000 1.246 349 L HN -0.017 nan 8.230 nan 0.000 0.526 350 F N -0.920 118.946 119.950 -0.141 0.000 2.721 350 F HA 0.387 4.916 4.527 0.003 0.000 0.301 350 F C 1.810 177.431 175.800 -0.299 0.000 1.096 350 F CA 0.663 58.483 58.000 -0.299 0.000 1.308 350 F CB 0.383 39.099 39.000 -0.474 0.000 1.086 350 F HN 0.030 nan 8.300 nan 0.000 0.587 351 A N -1.159 121.726 122.820 0.109 0.000 1.973 351 A HA 0.069 4.391 4.320 0.003 0.000 0.210 351 A C 2.146 179.875 177.584 0.242 0.000 1.200 351 A CA 1.018 53.313 52.037 0.429 0.000 0.707 351 A CB -0.726 18.564 19.000 0.483 0.000 0.862 351 A HN 0.173 nan 8.150 nan 0.000 0.461 352 S N -0.197 115.568 115.700 0.108 0.000 2.507 352 S HA -0.042 4.430 4.470 0.003 0.000 0.235 352 S C 1.638 176.240 174.600 0.003 0.000 0.988 352 S CA 1.163 59.389 58.200 0.044 0.000 0.944 352 S CB -0.178 63.018 63.200 -0.007 0.000 0.762 352 S HN 0.473 nan 8.310 nan 0.000 0.526 353 L N 0.315 121.531 121.223 -0.011 0.000 2.116 353 L HA 0.276 4.618 4.340 0.003 0.000 0.200 353 L C 1.769 178.656 176.870 0.028 0.000 1.084 353 L CA 1.351 56.149 54.840 -0.071 0.000 0.766 353 L CB -1.074 40.855 42.059 -0.216 0.000 0.930 353 L HN 0.235 nan 8.230 nan 0.000 0.453 354 F N 1.490 121.397 119.950 -0.072 0.000 2.024 354 F HA -0.358 4.171 4.527 0.004 0.000 0.296 354 F C 2.861 178.711 175.800 0.083 0.000 1.137 354 F CA 2.656 60.680 58.000 0.039 0.000 1.200 354 F CB -0.785 38.339 39.000 0.208 0.000 0.954 354 F HN 0.319 nan 8.300 nan 0.000 0.497 355 R N 0.072 120.895 120.500 0.538 0.000 2.259 355 R HA -0.314 4.028 4.340 0.003 0.000 0.247 355 R C 2.132 178.600 176.300 0.281 0.000 1.114 355 R CA 3.157 59.476 56.100 0.364 0.000 0.926 355 R CB -1.516 28.903 30.300 0.199 0.000 0.937 355 R HN 0.423 nan 8.270 nan 0.000 0.434 356 V N 0.345 120.344 119.914 0.142 0.000 2.407 356 V HA -0.011 4.111 4.120 0.003 0.000 0.245 356 V C 2.442 178.591 176.094 0.093 0.000 1.041 356 V CA 1.902 64.255 62.300 0.089 0.000 1.040 356 V CB -0.404 31.400 31.823 -0.031 0.000 0.671 356 V HN 0.627 nan 8.190 nan 0.000 0.455 357 A N -0.681 122.164 122.820 0.041 0.000 2.042 357 A HA -0.292 4.030 4.320 0.003 0.000 0.222 357 A C 2.076 179.648 177.584 -0.019 0.000 1.167 357 A CA 2.532 54.567 52.037 -0.003 0.000 0.649 357 A CB -0.801 18.128 19.000 -0.118 0.000 0.809 357 A HN 0.771 nan 8.150 nan 0.000 0.457 358 F N -0.217 119.606 119.950 -0.212 0.000 2.220 358 F HA 0.134 4.663 4.527 0.003 0.000 0.290 358 F C 1.896 177.732 175.800 0.059 0.000 1.080 358 F CA 1.505 59.398 58.000 -0.179 0.000 1.318 358 F CB -0.027 38.853 39.000 -0.201 0.000 1.063 358 F HN 0.056 nan 8.300 nan 0.000 0.498 359 K N 1.117 121.633 120.400 0.193 0.000 2.362 359 K HA -0.113 4.209 4.320 0.003 0.000 0.202 359 K C 1.762 178.370 176.600 0.012 0.000 1.045 359 K CA 1.168 57.504 56.287 0.082 0.000 0.936 359 K CB -0.587 32.008 32.500 0.159 0.000 0.747 359 K HN 0.430 nan 8.250 nan 0.000 0.467 360 A N -0.378 122.464 122.820 0.038 0.000 1.861 360 A HA -0.011 4.311 4.320 0.003 0.000 0.212 360 A C 2.037 179.649 177.584 0.046 0.000 1.199 360 A CA 0.938 53.009 52.037 0.058 0.000 0.613 360 A CB -0.790 18.264 19.000 0.090 0.000 0.846 360 A HN 0.481 nan 8.150 nan 0.000 0.446 361 F N 0.690 120.538 119.950 -0.170 0.000 2.333 361 F HA -0.106 4.423 4.527 0.003 0.000 0.300 361 F C 1.683 177.332 175.800 -0.252 0.000 1.083 361 F CA 1.413 59.298 58.000 -0.191 0.000 1.395 361 F CB 0.043 38.939 39.000 -0.173 0.000 1.056 361 F HN 0.027 nan 8.300 nan 0.000 0.529 362 V N 1.102 120.996 119.914 -0.034 0.000 2.323 362 V HA -0.263 3.859 4.120 0.003 0.000 0.244 362 V C 2.500 178.513 176.094 -0.135 0.000 1.041 362 V CA 2.177 64.372 62.300 -0.175 0.000 1.025 362 V CB -0.792 30.862 31.823 -0.282 0.000 0.656 362 V HN 0.311 nan 8.190 nan 0.000 0.451 363 K N -0.013 120.347 120.400 -0.067 0.000 2.152 363 K HA -0.279 4.043 4.320 0.003 0.000 0.206 363 K C 1.876 178.477 176.600 0.001 0.000 1.048 363 K CA 2.058 58.342 56.287 -0.004 0.000 0.933 363 K CB -0.214 32.310 32.500 0.040 0.000 0.721 363 K HN 0.554 nan 8.250 nan 0.000 0.447 364 D N 0.187 120.528 120.400 -0.099 0.000 2.097 364 D HA -0.174 4.468 4.640 0.003 0.000 0.197 364 D C 1.895 178.067 176.300 -0.214 0.000 0.984 364 D CA 0.687 54.571 54.000 -0.194 0.000 0.826 364 D CB 0.023 40.624 40.800 -0.333 0.000 0.973 364 D HN 0.082 nan 8.370 nan 0.000 0.460 365 L N 0.477 121.502 121.223 -0.330 0.000 2.013 365 L HA -0.170 4.172 4.340 0.003 0.000 0.212 365 L C 2.289 179.099 176.870 -0.101 0.000 1.073 365 L CA 2.012 56.684 54.840 -0.281 0.000 0.753 365 L CB -1.204 40.649 42.059 -0.343 0.000 0.890 365 L HN 0.102 nan 8.230 nan 0.000 0.432 366 T N -1.466 113.058 114.554 -0.050 0.000 2.684 366 T HA -0.312 4.040 4.350 0.003 0.000 0.267 366 T C 1.689 176.429 174.700 0.067 0.000 1.036 366 T CA 1.940 64.044 62.100 0.007 0.000 1.148 366 T CB -0.744 68.134 68.868 0.016 0.000 0.863 366 T HN 0.552 nan 8.240 nan 0.000 0.436 367 Y N 1.382 121.636 120.300 -0.076 0.000 2.053 367 Y HA -0.328 4.225 4.550 0.004 0.000 0.277 367 Y C 2.928 178.790 175.900 -0.062 0.000 1.159 367 Y CA 1.589 59.652 58.100 -0.062 0.000 1.125 367 Y CB -0.124 38.295 38.460 -0.067 0.000 0.969 367 Y HN 0.113 nan 8.280 nan 0.000 0.492 368 Q N 0.689 120.619 119.800 0.217 0.000 2.016 368 Q HA -0.170 4.172 4.340 0.003 0.000 0.200 368 Q C 2.280 178.315 176.000 0.059 0.000 0.978 368 Q CA 2.036 57.894 55.803 0.092 0.000 0.833 368 Q CB -0.485 28.207 28.738 -0.076 0.000 0.895 368 Q HN 0.626 nan 8.270 nan 0.000 0.427 369 L N 0.120 121.355 121.223 0.020 0.000 2.012 369 L HA -0.225 4.117 4.340 0.003 0.000 0.210 369 L C 2.339 179.219 176.870 0.017 0.000 1.073 369 L CA 1.601 56.446 54.840 0.008 0.000 0.748 369 L CB -0.393 41.662 42.059 -0.007 0.000 0.891 369 L HN 0.377 nan 8.230 nan 0.000 0.431 370 E N -0.295 119.918 120.200 0.022 0.000 2.273 370 E HA -0.248 4.105 4.350 0.003 0.000 0.198 370 E C 1.655 178.259 176.600 0.006 0.000 1.002 370 E CA 1.325 57.730 56.400 0.009 0.000 0.828 370 E CB 0.250 29.949 29.700 -0.002 0.000 0.747 370 E HN 0.511 nan 8.360 nan 0.000 0.491 371 K N -1.424 118.988 120.400 0.019 0.000 2.386 371 K HA 0.126 4.448 4.320 0.003 0.000 0.237 371 K C 1.707 178.317 176.600 0.017 0.000 1.122 371 K CA 0.646 56.943 56.287 0.015 0.000 0.838 371 K CB -0.250 32.266 32.500 0.026 0.000 1.364 371 K HN 0.082 nan 8.250 nan 0.000 0.440 372 S N 0.769 116.484 115.700 0.025 0.000 2.790 372 S HA -0.366 4.106 4.470 0.003 0.000 0.358 372 S C 0.354 174.959 174.600 0.009 0.000 1.571 372 S CA 2.310 60.520 58.200 0.015 0.000 1.309 372 S CB -0.934 62.270 63.200 0.007 0.000 1.499 372 S HN 0.444 nan 8.310 nan 0.000 0.520 373 K N -1.382 119.023 120.400 0.008 0.000 2.554 373 K HA 0.475 4.797 4.320 0.003 0.000 0.292 373 K C -0.059 176.544 176.600 0.005 0.000 1.117 373 K CA 0.380 56.671 56.287 0.006 0.000 1.080 373 K CB 0.670 33.173 32.500 0.005 0.000 1.401 373 K HN 0.150 nan 8.250 nan 0.000 0.437 374 V N 3.039 122.955 119.914 0.004 0.000 3.129 374 V HA 0.071 4.194 4.120 0.003 0.000 0.259 374 V C 0.739 176.836 176.094 0.004 0.000 1.116 374 V CA 0.553 62.855 62.300 0.004 0.000 1.127 374 V CB -0.713 31.112 31.823 0.002 0.000 0.742 374 V HN 0.548 nan 8.190 nan 0.000 0.474 375 R N 1.706 122.208 120.500 0.004 0.000 2.585 375 R HA 0.293 4.635 4.340 0.003 0.000 0.275 375 R C 0.901 177.204 176.300 0.005 0.000 1.018 375 R CA 0.416 56.519 56.100 0.004 0.000 1.072 375 R CB 0.003 30.305 30.300 0.004 0.000 0.953 375 R HN 0.387 nan 8.270 nan 0.000 0.419 376 G N 2.678 111.481 108.800 0.005 0.000 2.192 376 G HA2 0.028 3.990 3.960 0.003 0.000 0.258 376 G HA3 0.028 3.990 3.960 0.003 0.000 0.258 376 G C -0.045 174.860 174.900 0.007 0.000 1.185 376 G CA -0.010 45.094 45.100 0.006 0.000 0.976 376 G HN 0.721 nan 8.290 nan 0.000 0.446 377 R N 1.440 121.945 120.500 0.008 0.000 1.272 377 R HA -0.144 4.198 4.340 0.003 0.000 0.419 377 R C -0.101 176.204 176.300 0.009 0.000 1.318 377 R CA 0.581 56.687 56.100 0.009 0.000 1.012 377 R CB -0.431 29.874 30.300 0.009 0.000 3.123 377 R HN 0.705 nan 8.270 nan 0.000 0.502 378 K N 3.482 123.888 120.400 0.010 0.000 2.328 378 K HA 0.091 4.413 4.320 0.003 0.000 0.096 378 K C -0.543 176.062 176.600 0.009 0.000 1.620 378 K CA 0.133 56.425 56.287 0.008 0.000 0.878 378 K CB -0.245 32.259 32.500 0.006 0.000 2.343 378 K HN 0.477 nan 8.250 nan 0.000 0.442 379 L N 1.421 122.651 121.223 0.012 0.000 2.955 379 L HA 0.352 4.694 4.340 0.003 0.000 0.238 379 L C 0.317 177.199 176.870 0.019 0.000 1.359 379 L CA -0.056 54.792 54.840 0.014 0.000 1.214 379 L CB -0.006 42.064 42.059 0.017 0.000 1.600 379 L HN 0.229 nan 8.230 nan 0.000 0.442 380 A N 0.389 123.218 122.820 0.017 0.000 2.990 380 A HA 0.225 4.547 4.320 0.003 0.000 0.282 380 A C 1.471 179.069 177.584 0.023 0.000 1.688 380 A CA -0.307 51.744 52.037 0.023 0.000 1.391 380 A CB -0.227 18.784 19.000 0.017 0.000 1.112 380 A HN 0.571 nan 8.150 nan 0.000 0.588 381 L N 0.979 122.222 121.223 0.032 0.000 2.085 381 L HA -0.281 4.061 4.340 0.003 0.000 0.218 381 L C 2.545 179.438 176.870 0.039 0.000 1.080 381 L CA 1.964 56.824 54.840 0.034 0.000 0.776 381 L CB -0.336 41.762 42.059 0.065 0.000 0.891 381 L HN 0.700 nan 8.230 nan 0.000 0.437 382 K N 0.509 120.943 120.400 0.057 0.000 2.585 382 K HA -0.100 4.222 4.320 0.003 0.000 0.194 382 K C 1.111 177.730 176.600 0.030 0.000 1.037 382 K CA 1.008 57.332 56.287 0.062 0.000 0.964 382 K CB 0.104 32.641 32.500 0.062 0.000 0.787 382 K HN 0.375 nan 8.250 nan 0.000 0.488 383 A N -0.057 122.770 122.820 0.012 0.000 2.551 383 A HA 0.256 4.578 4.320 0.003 0.000 0.252 383 A C 1.118 178.686 177.584 -0.026 0.000 1.199 383 A CA -0.379 51.655 52.037 -0.005 0.000 0.972 383 A CB 0.468 19.467 19.000 -0.001 0.000 1.153 383 A HN 0.240 nan 8.150 nan 0.000 0.559 384 L N -0.961 120.237 121.223 -0.042 0.000 2.685 384 L HA 0.221 4.563 4.340 0.003 0.000 0.235 384 L C 0.139 176.917 176.870 -0.152 0.000 1.070 384 L CA 0.203 54.992 54.840 -0.084 0.000 0.888 384 L CB 0.639 42.654 42.059 -0.074 0.000 1.203 384 L HN 0.016 nan 8.230 nan 0.000 0.499 385 V N 2.799 122.643 119.914 -0.118 0.000 2.377 385 V HA 0.059 4.181 4.120 0.003 0.000 0.254 385 V C 0.634 176.691 176.094 -0.062 0.000 1.060 385 V CA 0.028 62.238 62.300 -0.150 0.000 1.068 385 V CB -0.391 31.481 31.823 0.082 0.000 1.113 385 V HN 0.255 nan 8.190 nan 0.000 0.484 386 R N 6.989 127.404 120.500 -0.142 0.000 2.489 386 R HA 0.180 4.523 4.340 0.003 0.000 0.287 386 R C -2.116 174.225 176.300 0.069 0.000 1.053 386 R CA -1.270 54.798 56.100 -0.054 0.000 1.036 386 R CB 0.355 30.583 30.300 -0.119 0.000 0.966 386 R HN 0.472 nan 8.270 nan 0.000 0.432 387 P HA -0.151 nan 4.420 nan 0.000 0.263 387 P C -0.613 176.726 177.300 0.065 0.000 1.195 387 P CA 0.273 63.416 63.100 0.072 0.000 0.762 387 P CB 0.513 32.235 31.700 0.036 0.000 0.799 388 D N 1.589 122.036 120.400 0.078 0.000 3.018 388 D HA -0.206 4.436 4.640 0.003 0.000 0.224 388 D C 1.384 177.709 176.300 0.042 0.000 1.185 388 D CA 0.634 54.663 54.000 0.049 0.000 0.858 388 D CB -0.970 39.849 40.800 0.031 0.000 1.112 388 D HN 0.500 nan 8.370 nan 0.000 0.415 389 I N 0.089 120.706 120.570 0.078 0.000 2.381 389 I HA -0.272 3.900 4.170 0.003 0.000 0.255 389 I C 2.414 178.557 176.117 0.043 0.000 1.140 389 I CA 1.078 62.416 61.300 0.063 0.000 1.404 389 I CB -0.231 37.835 38.000 0.110 0.000 1.075 389 I HN 0.045 nan 8.210 nan 0.000 0.433 390 V N 0.328 120.255 119.914 0.022 0.000 2.488 390 V HA -0.160 3.962 4.120 0.003 0.000 0.246 390 V C 2.309 178.367 176.094 -0.061 0.000 1.046 390 V CA 2.168 64.424 62.300 -0.072 0.000 1.053 390 V CB -0.535 31.181 31.823 -0.178 0.000 0.679 390 V HN 0.481 nan 8.190 nan 0.000 0.458 391 T N -0.943 113.600 114.554 -0.017 0.000 3.010 391 T HA -0.019 4.333 4.350 0.003 0.000 0.252 391 T C 1.693 176.400 174.700 0.013 0.000 1.047 391 T CA 0.683 62.784 62.100 0.003 0.000 1.140 391 T CB -0.047 68.837 68.868 0.026 0.000 0.885 391 T HN 0.480 nan 8.240 nan 0.000 0.464 392 E N 1.173 121.377 120.200 0.008 0.000 2.150 392 E HA -0.016 4.336 4.350 0.003 0.000 0.193 392 E C 1.980 178.584 176.600 0.006 0.000 0.985 392 E CA 0.547 56.948 56.400 0.001 0.000 0.814 392 E CB 0.013 29.698 29.700 -0.024 0.000 0.752 392 E HN 0.246 nan 8.360 nan 0.000 0.466 393 R N 0.612 121.117 120.500 0.008 0.000 2.568 393 R HA 0.102 4.444 4.340 0.003 0.000 0.288 393 R C 0.732 177.064 176.300 0.054 0.000 1.077 393 R CA -0.003 56.119 56.100 0.037 0.000 1.102 393 R CB 0.262 30.597 30.300 0.058 0.000 1.278 393 R HN 0.133 nan 8.270 nan 0.000 0.560 394 I N -0.067 120.513 120.570 0.018 0.000 4.774 394 I HA 0.006 4.178 4.170 0.003 0.000 0.330 394 I C 1.583 177.673 176.117 -0.045 0.000 1.287 394 I CA 0.483 61.756 61.300 -0.044 0.000 1.311 394 I CB 0.297 38.253 38.000 -0.074 0.000 1.315 394 I HN 0.258 nan 8.210 nan 0.000 0.459 395 R N -0.833 119.678 120.500 0.018 0.000 2.254 395 R HA 0.020 4.362 4.340 0.003 0.000 0.193 395 R C 1.014 177.337 176.300 0.040 0.000 0.929 395 R CA 0.512 56.629 56.100 0.027 0.000 1.038 395 R CB -0.510 29.825 30.300 0.060 0.000 1.009 395 R HN 0.162 nan 8.270 nan 0.000 0.512 396 H N 0.195 119.252 119.070 -0.022 0.000 2.645 396 H HA 0.409 4.967 4.556 0.003 0.000 0.300 396 H C 0.052 175.372 175.328 -0.013 0.000 1.065 396 H CA 0.448 56.479 56.048 -0.028 0.000 1.173 396 H CB 0.507 30.233 29.762 -0.060 0.000 1.383 396 H HN 0.444 nan 8.280 nan 0.000 0.566 397 A N 0.133 122.946 122.820 -0.012 0.000 2.502 397 A HA 0.193 4.515 4.320 0.003 0.000 0.253 397 A C 0.339 177.904 177.584 -0.032 0.000 0.938 397 A CA -0.038 52.016 52.037 0.028 0.000 1.086 397 A CB -0.174 18.919 19.000 0.155 0.000 1.176 397 A HN 0.359 nan 8.150 nan 0.000 0.499 398 L N -3.009 118.178 121.223 -0.060 0.000 3.503 398 L HA 0.643 4.985 4.340 0.003 0.000 0.327 398 L C 1.462 178.318 176.870 -0.022 0.000 1.108 398 L CA 1.655 56.457 54.840 -0.062 0.000 1.214 398 L CB -0.022 41.955 42.059 -0.136 0.000 1.806 398 L HN 0.198 nan 8.230 nan 0.000 0.610 399 A N -1.309 121.483 122.820 -0.046 0.000 2.035 399 A HA 0.182 4.504 4.320 0.003 0.000 0.208 399 A C 1.998 179.530 177.584 -0.085 0.000 1.206 399 A CA 1.282 53.298 52.037 -0.035 0.000 0.773 399 A CB -0.310 18.678 19.000 -0.020 0.000 0.878 399 A HN 0.330 nan 8.150 nan 0.000 0.469 400 T N -1.409 113.035 114.554 -0.183 0.000 3.039 400 T HA 0.392 4.744 4.350 0.003 0.000 0.250 400 T C 0.766 175.397 174.700 -0.115 0.000 1.052 400 T CA 1.486 63.452 62.100 -0.224 0.000 1.125 400 T CB 0.030 68.575 68.868 -0.538 0.000 0.908 400 T HN 1.405 nan 8.240 nan 0.000 0.473 401 G N 2.152 110.909 108.800 -0.071 0.000 2.243 401 G HA2 0.027 3.989 3.960 0.003 0.000 0.231 401 G HA3 0.027 3.989 3.960 0.003 0.000 0.231 401 G C -0.157 174.760 174.900 0.027 0.000 2.559 401 G CA -0.214 44.880 45.100 -0.010 0.000 1.110 401 G HN 0.445 nan 8.290 nan 0.000 0.618 402 N N -0.867 117.855 118.700 0.037 0.000 1.146 402 N HA -0.228 4.514 4.740 0.003 0.000 0.118 402 N C 0.817 176.464 175.510 0.228 0.000 0.526 402 N CA 2.642 55.742 53.050 0.083 0.000 0.826 402 N CB -0.026 38.487 38.487 0.043 0.000 1.271 402 N HN 1.460 nan 8.380 nan 0.000 0.769 403 W N -2.891 118.390 121.300 -0.031 0.000 3.523 403 W HA 0.166 4.829 4.660 0.004 0.000 0.337 403 W C 0.757 177.267 176.519 -0.015 0.000 3.306 403 W CA 1.874 59.211 57.345 -0.014 0.000 1.568 403 W CB -0.890 28.570 29.460 0.001 0.000 1.582 403 W HN 0.636 nan 8.180 nan 0.000 0.561 404 V N 0.193 119.443 119.914 -1.106 0.000 0.635 404 V HA -0.213 3.909 4.120 0.003 0.000 0.092 404 V C 0.794 176.314 176.094 -0.957 0.000 1.463 404 V CA 2.328 63.914 62.300 -1.191 0.000 3.271 404 V CB -2.557 28.986 31.823 -0.466 0.000 0.530 404 V HN 1.522 nan 8.190 nan 0.000 0.535 405 G N -0.815 107.694 108.800 -0.485 0.000 2.753 405 G HA2 0.566 4.528 3.960 0.003 0.000 0.285 405 G HA3 0.566 4.528 3.960 0.003 0.000 0.285 405 G C 0.937 175.721 174.900 -0.193 0.000 1.344 405 G CA -0.083 44.839 45.100 -0.298 0.000 1.050 405 G HN 1.450 nan 8.290 nan 0.000 0.532 406 G N -0.692 108.045 108.800 -0.105 0.000 2.568 406 G HA2 -0.159 3.803 3.960 0.003 0.000 0.220 406 G HA3 -0.159 3.803 3.960 0.003 0.000 0.220 406 G C 1.081 175.973 174.900 -0.013 0.000 1.104 406 G CA 0.463 45.540 45.100 -0.039 0.000 0.738 406 G HN 0.437 nan 8.290 nan 0.000 0.574 407 R N -0.453 120.025 120.500 -0.036 0.000 2.698 407 R HA 0.475 4.817 4.340 0.003 0.000 0.266 407 R C 0.274 176.596 176.300 0.037 0.000 1.026 407 R CA 0.480 56.575 56.100 -0.007 0.000 1.102 407 R CB 0.491 30.776 30.300 -0.025 0.000 0.978 407 R HN 0.118 nan 8.270 nan 0.000 0.436 408 T N -0.352 114.227 114.554 0.042 0.000 2.942 408 T HA 0.470 4.823 4.350 0.003 0.000 0.327 408 T C -0.520 174.207 174.700 0.045 0.000 1.360 408 T CA -0.034 62.103 62.100 0.061 0.000 1.055 408 T CB 1.065 69.972 68.868 0.064 0.000 1.261 408 T HN 0.867 nan 8.240 nan 0.000 0.485 409 G N 2.308 111.134 108.800 0.044 0.000 2.374 409 G HA2 -0.153 3.809 3.960 0.003 0.000 0.289 409 G HA3 -0.153 3.809 3.960 0.003 0.000 0.289 409 G C 0.528 175.451 174.900 0.037 0.000 1.004 409 G CA 0.471 45.593 45.100 0.036 0.000 1.292 409 G HN 1.092 nan 8.290 nan 0.000 0.502 410 V N 0.016 119.953 119.914 0.038 0.000 3.085 410 V HA 0.230 4.352 4.120 0.003 0.000 0.245 410 V C 1.568 177.690 176.094 0.047 0.000 1.114 410 V CA 1.616 63.940 62.300 0.039 0.000 1.108 410 V CB 0.371 32.216 31.823 0.036 0.000 0.798 410 V HN 1.086 nan 8.190 nan 0.000 0.471 411 S N 1.558 117.287 115.700 0.047 0.000 2.537 411 S HA 0.808 5.281 4.470 0.003 0.000 0.301 411 S C -0.740 173.895 174.600 0.058 0.000 1.092 411 S CA -0.688 57.548 58.200 0.061 0.000 1.048 411 S CB 2.009 65.248 63.200 0.064 0.000 1.053 411 S HN 0.544 nan 8.310 nan 0.000 0.501 412 Q N 0.728 120.574 119.800 0.076 0.000 2.565 412 Q HA 0.586 4.928 4.340 0.003 0.000 0.294 412 Q C -1.479 174.600 176.000 0.131 0.000 1.005 412 Q CA -1.263 54.604 55.803 0.106 0.000 0.771 412 Q CB 0.991 29.822 28.738 0.154 0.000 1.486 412 Q HN 0.524 nan 8.270 nan 0.000 0.422 413 L N 1.919 123.194 121.223 0.087 0.000 2.565 413 L HA 0.169 4.512 4.340 0.003 0.000 0.275 413 L C -0.621 176.262 176.870 0.021 0.000 1.137 413 L CA -0.150 54.708 54.840 0.030 0.000 0.915 413 L CB 0.009 42.055 42.059 -0.021 0.000 1.232 413 L HN 0.675 nan 8.230 nan 0.000 0.473 414 L N 5.176 126.411 121.223 0.020 0.000 2.810 414 L HA -0.101 4.241 4.340 0.003 0.000 0.279 414 L C 0.163 176.908 176.870 -0.208 0.000 1.144 414 L CA 0.608 55.455 54.840 0.011 0.000 0.998 414 L CB -0.409 41.496 42.059 -0.256 0.000 1.342 414 L HN 0.704 nan 8.230 nan 0.000 0.473 415 D N 3.277 123.395 120.400 -0.470 0.000 2.357 415 D HA -0.006 4.636 4.640 0.003 0.000 0.265 415 D C 0.832 176.949 176.300 -0.305 0.000 1.334 415 D CA 0.018 53.769 54.000 -0.414 0.000 0.984 415 D CB 0.468 40.958 40.800 -0.516 0.000 1.077 415 D HN 0.340 nan 8.370 nan 0.000 0.514 416 R N 2.094 122.419 120.500 -0.291 0.000 2.423 416 R HA 0.136 4.478 4.340 0.003 0.000 0.248 416 R C -0.088 175.983 176.300 -0.383 0.000 1.019 416 R CA -0.026 55.888 56.100 -0.310 0.000 1.119 416 R CB -0.291 29.787 30.300 -0.370 0.000 1.176 416 R HN 0.251 nan 8.270 nan 0.000 0.526 417 T N 2.054 116.434 114.554 -0.291 0.000 2.978 417 T HA 0.081 4.433 4.350 0.003 0.000 0.278 417 T C -0.528 174.074 174.700 -0.163 0.000 0.945 417 T CA -0.040 61.908 62.100 -0.254 0.000 1.070 417 T CB -0.757 67.938 68.868 -0.287 0.000 0.948 417 T HN 0.598 nan 8.240 nan 0.000 0.617 418 N N 1.895 120.553 118.700 -0.070 0.000 4.065 418 N HA -0.199 4.543 4.740 0.003 0.000 0.309 418 N C 0.333 175.927 175.510 0.140 0.000 2.189 418 N CA 0.338 53.422 53.050 0.057 0.000 2.863 418 N CB -0.803 37.687 38.487 0.005 0.000 0.362 418 N HN 0.556 nan 8.380 nan 0.000 0.685 419 W N 4.306 125.604 121.300 -0.003 0.000 2.262 419 W HA -0.334 4.327 4.660 0.003 0.000 0.331 419 W C 2.080 178.597 176.519 -0.003 0.000 1.315 419 W CA 2.519 59.862 57.345 -0.004 0.000 1.302 419 W CB -0.953 28.492 29.460 -0.025 0.000 1.128 419 W HN 0.736 nan 8.180 nan 0.000 0.482 420 L N 0.816 122.156 121.223 0.195 0.000 1.997 420 L HA -0.283 4.059 4.340 0.003 0.000 0.216 420 L C 2.772 179.607 176.870 -0.058 0.000 1.074 420 L CA 2.931 57.808 54.840 0.061 0.000 0.763 420 L CB -1.867 40.334 42.059 0.236 0.000 0.890 420 L HN 0.130 nan 8.230 nan 0.000 0.434 421 S N -0.662 115.015 115.700 -0.037 0.000 2.427 421 S HA -0.406 4.066 4.470 0.003 0.000 0.231 421 S C 2.201 176.737 174.600 -0.107 0.000 1.045 421 S CA 2.781 60.928 58.200 -0.089 0.000 1.154 421 S CB -0.747 62.374 63.200 -0.132 0.000 1.093 421 S HN 0.620 nan 8.310 nan 0.000 0.422 422 M N 0.722 120.241 119.600 -0.134 0.000 2.124 422 M HA -0.203 4.279 4.480 0.003 0.000 0.253 422 M C 2.065 178.278 176.300 -0.146 0.000 1.077 422 M CA 2.170 57.392 55.300 -0.131 0.000 1.085 422 M CB -0.594 31.898 32.600 -0.181 0.000 1.320 422 M HN 0.530 nan 8.290 nan 0.000 0.404 423 L N -0.616 120.456 121.223 -0.252 0.000 1.989 423 L HA -0.239 4.103 4.340 0.003 0.000 0.211 423 L C 2.744 179.522 176.870 -0.153 0.000 1.071 423 L CA 1.885 56.567 54.840 -0.264 0.000 0.749 423 L CB -1.012 40.827 42.059 -0.367 0.000 0.890 423 L HN 0.459 nan 8.230 nan 0.000 0.431 424 S N -1.351 114.285 115.700 -0.107 0.000 2.402 424 S HA -0.242 4.230 4.470 0.003 0.000 0.229 424 S C 2.044 176.643 174.600 -0.002 0.000 1.021 424 S CA 1.095 59.263 58.200 -0.054 0.000 0.974 424 S CB -0.310 62.867 63.200 -0.038 0.000 0.800 424 S HN 0.497 nan 8.310 nan 0.000 0.484 425 H N 1.286 120.279 119.070 -0.129 0.000 2.387 425 H HA 0.076 4.634 4.556 0.003 0.000 0.299 425 H C 1.700 176.948 175.328 -0.133 0.000 1.090 425 H CA 1.866 57.841 56.048 -0.121 0.000 1.332 425 H CB -0.425 29.250 29.762 -0.146 0.000 1.386 425 H HN 0.404 nan 8.280 nan 0.000 0.516 426 L N -0.509 120.602 121.223 -0.186 0.000 2.313 426 L HA 0.007 4.349 4.340 0.003 0.000 0.214 426 L C 1.857 178.611 176.870 -0.194 0.000 1.119 426 L CA 0.895 55.533 54.840 -0.336 0.000 0.809 426 L CB -0.039 41.820 42.059 -0.334 0.000 0.933 426 L HN 0.147 nan 8.230 nan 0.000 0.449 427 R N -0.542 119.905 120.500 -0.089 0.000 2.393 427 R HA 0.186 4.528 4.340 0.003 0.000 0.244 427 R C 0.262 176.562 176.300 -0.001 0.000 0.920 427 R CA -0.207 55.883 56.100 -0.017 0.000 1.076 427 R CB 0.212 30.495 30.300 -0.028 0.000 1.119 427 R HN 0.208 nan 8.270 nan 0.000 0.524 428 R N 1.349 121.842 120.500 -0.012 0.000 2.441 428 R HA 0.230 4.572 4.340 0.003 0.000 0.284 428 R C -0.289 176.025 176.300 0.023 0.000 1.070 428 R CA -0.279 55.825 56.100 0.008 0.000 1.047 428 R CB 1.611 31.927 30.300 0.026 0.000 1.016 428 R HN -0.063 nan 8.270 nan 0.000 0.477 429 V N 2.264 122.195 119.914 0.027 0.000 2.540 429 V HA 0.598 4.720 4.120 0.003 0.000 0.302 429 V C -0.333 175.786 176.094 0.042 0.000 1.035 429 V CA -0.748 61.575 62.300 0.038 0.000 0.873 429 V CB 1.558 33.407 31.823 0.043 0.000 0.992 429 V HN 0.625 nan 8.190 nan 0.000 0.428 430 I N 4.337 124.932 120.570 0.042 0.000 2.707 430 I HA 0.537 4.709 4.170 0.003 0.000 0.309 430 I C 0.907 177.047 176.117 0.040 0.000 1.001 430 I CA -0.496 60.828 61.300 0.041 0.000 1.129 430 I CB 2.450 40.472 38.000 0.037 0.000 1.308 430 I HN 0.993 nan 8.210 nan 0.000 0.466 431 S N 2.762 118.484 115.700 0.037 0.000 2.600 431 S HA 0.121 4.594 4.470 0.003 0.000 0.265 431 S C 0.202 174.813 174.600 0.018 0.000 1.325 431 S CA -0.606 57.610 58.200 0.028 0.000 1.002 431 S CB 1.290 64.506 63.200 0.025 0.000 0.921 431 S HN 0.610 nan 8.310 nan 0.000 0.554 432 S N 1.509 117.213 115.700 0.006 0.000 2.537 432 S HA 0.306 4.778 4.470 0.003 0.000 0.286 432 S C 0.476 175.080 174.600 0.006 0.000 1.299 432 S CA -0.356 57.844 58.200 0.000 0.000 1.067 432 S CB -1.436 61.756 63.200 -0.013 0.000 0.864 432 S HN 0.766 nan 8.310 nan 0.000 0.494 433 L N 2.060 123.288 121.223 0.008 0.000 3.434 433 L HA -0.334 4.009 4.340 0.003 0.000 0.332 433 L C 1.398 178.280 176.870 0.020 0.000 1.130 433 L CA 0.669 55.517 54.840 0.014 0.000 1.259 433 L CB -1.365 40.700 42.059 0.010 0.000 1.246 433 L HN 0.764 nan 8.230 nan 0.000 0.520 434 A N -0.037 122.797 122.820 0.024 0.000 1.862 434 A HA 0.283 4.605 4.320 0.003 0.000 0.211 434 A C 0.619 178.220 177.584 0.027 0.000 1.220 434 A CA 1.281 53.334 52.037 0.027 0.000 0.616 434 A CB -0.041 18.976 19.000 0.028 0.000 0.878 434 A HN 0.732 nan 8.150 nan 0.000 0.453 435 R N -1.602 118.914 120.500 0.028 0.000 2.233 435 R HA -0.126 4.216 4.340 0.003 0.000 0.355 435 R C 0.322 176.646 176.300 0.040 0.000 1.099 435 R CA 0.223 56.343 56.100 0.032 0.000 0.867 435 R CB -1.896 28.423 30.300 0.033 0.000 2.603 435 R HN 0.676 nan 8.270 nan 0.000 0.487 436 G N 2.026 110.850 108.800 0.040 0.000 3.949 436 G HA2 0.094 4.056 3.960 0.003 0.000 0.295 436 G HA3 0.094 4.056 3.960 0.003 0.000 0.295 436 G C 0.263 175.196 174.900 0.054 0.000 1.286 436 G CA -0.247 44.880 45.100 0.045 0.000 1.171 436 G HN 0.284 nan 8.290 nan 0.000 0.586 437 Q N 0.345 120.183 119.800 0.063 0.000 2.298 437 Q HA 0.287 4.629 4.340 0.003 0.000 0.181 437 Q C -1.814 174.255 176.000 0.115 0.000 1.004 437 Q CA -1.293 54.549 55.803 0.065 0.000 1.050 437 Q CB 1.130 29.896 28.738 0.048 0.000 1.254 437 Q HN 0.102 nan 8.270 nan 0.000 0.531 438 P HA 0.115 nan 4.420 nan 0.000 0.228 438 P C -0.946 176.542 177.300 0.314 0.000 1.764 438 P CA -0.094 63.079 63.100 0.122 0.000 0.929 438 P CB -0.312 31.337 31.700 -0.084 0.000 1.675 439 N N 0.959 119.857 118.700 0.330 0.000 2.423 439 N HA 0.018 4.760 4.740 0.003 0.000 0.275 439 N C 0.157 175.936 175.510 0.447 0.000 1.283 439 N CA 0.383 53.601 53.050 0.281 0.000 0.932 439 N CB 0.157 38.720 38.487 0.127 0.000 1.185 439 N HN 0.173 nan 8.380 nan 0.000 0.483 440 F N 0.313 120.272 119.950 0.015 0.000 1.964 440 F HA 0.132 4.661 4.527 0.003 0.000 0.248 440 F C 1.547 177.363 175.800 0.027 0.000 1.051 440 F CA -0.219 57.794 58.000 0.021 0.000 1.221 440 F CB -0.133 38.877 39.000 0.017 0.000 1.497 440 F HN 0.344 nan 8.300 nan 0.000 0.653 441 E N 0.856 121.200 120.200 0.241 0.000 2.528 441 E HA 0.403 4.755 4.350 0.003 0.000 0.237 441 E C 0.096 176.760 176.600 0.106 0.000 1.408 441 E CA 0.342 56.829 56.400 0.145 0.000 1.571 441 E CB -0.361 29.407 29.700 0.112 0.000 1.395 441 E HN 0.350 nan 8.360 nan 0.000 0.438 442 A N 1.085 123.962 122.820 0.095 0.000 2.474 442 A HA 0.243 4.566 4.320 0.003 0.000 0.249 442 A C 0.963 178.584 177.584 0.062 0.000 0.891 442 A CA -0.466 51.608 52.037 0.062 0.000 1.135 442 A CB 0.389 19.410 19.000 0.035 0.000 1.191 442 A HN 0.242 nan 8.150 nan 0.000 0.471 443 R N 0.593 121.131 120.500 0.063 0.000 2.316 443 R HA 0.110 4.452 4.340 0.003 0.000 0.201 443 R C -0.654 175.683 176.300 0.062 0.000 0.888 443 R CA 0.488 56.615 56.100 0.045 0.000 1.041 443 R CB 0.313 30.613 30.300 0.000 0.000 1.115 443 R HN 0.607 nan 8.270 nan 0.000 0.559 444 D N 1.185 121.632 120.400 0.078 0.000 2.304 444 D HA 0.051 4.693 4.640 0.003 0.000 0.250 444 D C 0.073 176.441 176.300 0.113 0.000 1.107 444 D CA -0.324 53.726 54.000 0.083 0.000 0.885 444 D CB 0.690 41.536 40.800 0.077 0.000 1.192 444 D HN -0.097 nan 8.370 nan 0.000 0.436 445 L N 2.074 123.349 121.223 0.088 0.000 2.894 445 L HA -0.108 4.235 4.340 0.003 0.000 0.286 445 L C 0.806 177.757 176.870 0.136 0.000 1.077 445 L CA 0.430 55.325 54.840 0.092 0.000 1.070 445 L CB -0.934 41.151 42.059 0.043 0.000 1.470 445 L HN 0.476 nan 8.230 nan 0.000 0.452 446 H N 2.438 121.566 119.070 0.096 0.000 2.929 446 H HA 0.020 4.578 4.556 0.004 0.000 0.358 446 H C 1.339 176.736 175.328 0.115 0.000 1.111 446 H CA 0.842 56.962 56.048 0.121 0.000 1.409 446 H CB 1.297 31.169 29.762 0.184 0.000 1.373 446 H HN 0.574 nan 8.280 nan 0.000 0.610 447 G N 2.777 111.324 108.800 -0.423 0.000 2.556 447 G HA2 -0.323 3.639 3.960 0.003 0.000 0.220 447 G HA3 -0.323 3.639 3.960 0.003 0.000 0.220 447 G C 0.841 175.740 174.900 -0.002 0.000 1.156 447 G CA 1.545 46.520 45.100 -0.209 0.000 0.766 447 G HN 0.664 nan 8.290 nan 0.000 0.583 448 T N -0.500 114.126 114.554 0.119 0.000 4.842 448 T HA 0.175 4.527 4.350 0.003 0.000 0.411 448 T C 1.286 176.105 174.700 0.199 0.000 1.089 448 T CA 0.799 63.035 62.100 0.227 0.000 0.931 448 T CB -0.281 68.783 68.868 0.327 0.000 1.582 448 T HN 0.469 nan 8.240 nan 0.000 0.470 449 Q N -1.698 118.148 119.800 0.078 0.000 2.100 449 Q HA -0.227 4.115 4.340 0.003 0.000 0.163 449 Q C -0.177 175.772 176.000 -0.085 0.000 0.618 449 Q CA 1.506 57.226 55.803 -0.138 0.000 1.485 449 Q CB -1.318 27.380 28.738 -0.065 0.000 1.627 449 Q HN 0.741 nan 8.270 nan 0.000 0.824 450 W N 1.622 122.849 121.300 -0.122 0.000 2.381 450 W HA 0.331 4.993 4.660 0.004 0.000 0.321 450 W C 1.268 177.702 176.519 -0.140 0.000 1.407 450 W CA 1.386 58.654 57.345 -0.128 0.000 1.274 450 W CB 0.179 29.577 29.460 -0.103 0.000 1.310 450 W HN 0.321 nan 8.180 nan 0.000 0.551 451 G N 4.230 112.429 108.800 -1.002 0.000 2.198 451 G HA2 -0.367 3.595 3.960 0.003 0.000 0.260 451 G HA3 -0.367 3.595 3.960 0.003 0.000 0.260 451 G C 0.829 175.417 174.900 -0.520 0.000 1.025 451 G CA 0.675 45.181 45.100 -0.991 0.000 0.769 451 G HN 0.681 nan 8.290 nan 0.000 0.507 452 R N -2.404 117.865 120.500 -0.386 0.000 2.977 452 R HA 0.456 4.798 4.340 0.003 0.000 0.161 452 R C 0.599 176.710 176.300 -0.316 0.000 0.805 452 R CA 0.272 56.182 56.100 -0.317 0.000 1.044 452 R CB 0.265 30.368 30.300 -0.329 0.000 1.433 452 R HN 0.351 nan 8.270 nan 0.000 0.570 453 M N 0.146 119.538 119.600 -0.347 0.000 2.598 453 M HA 0.321 4.803 4.480 0.003 0.000 0.317 453 M C -0.944 175.215 176.300 -0.236 0.000 1.179 453 M CA -1.031 54.098 55.300 -0.284 0.000 0.936 453 M CB 1.870 34.272 32.600 -0.329 0.000 1.713 453 M HN 0.159 nan 8.290 nan 0.000 0.460 454 C N 5.216 124.407 119.300 -0.182 0.000 2.601 454 C HA 0.490 4.952 4.460 0.003 0.000 0.409 454 C C -1.132 173.736 174.990 -0.204 0.000 1.293 454 C CA -1.106 57.796 59.018 -0.193 0.000 2.101 454 C CB 0.353 28.021 27.740 -0.120 0.000 2.639 454 C HN 0.762 nan 8.230 nan 0.000 0.592 455 P HA 0.050 nan 4.420 nan 0.000 0.230 455 P C 0.866 178.027 177.300 -0.233 0.000 1.168 455 P CA 1.236 64.114 63.100 -0.370 0.000 0.793 455 P CB 0.120 31.455 31.700 -0.609 0.000 0.851 456 F N 0.239 120.172 119.950 -0.028 0.000 2.399 456 F HA 0.233 4.762 4.527 0.003 0.000 0.282 456 F C 0.955 176.752 175.800 -0.004 0.000 1.027 456 F CA -0.419 57.571 58.000 -0.017 0.000 1.333 456 F CB -1.652 37.331 39.000 -0.029 0.000 1.132 456 F HN -0.238 nan 8.300 nan 0.000 0.590 457 E N 1.524 121.827 120.200 0.172 0.000 2.562 457 E HA 0.192 4.544 4.350 0.003 0.000 0.241 457 E C -0.809 175.833 176.600 0.071 0.000 1.136 457 E CA 0.690 57.147 56.400 0.094 0.000 0.952 457 E CB -0.614 29.112 29.700 0.043 0.000 0.975 457 E HN 0.126 nan 8.360 nan 0.000 0.494 458 T N 4.440 119.042 114.554 0.081 0.000 3.767 458 T HA 0.214 4.566 4.350 0.003 0.000 0.360 458 T C -2.689 172.049 174.700 0.064 0.000 1.181 458 T CA -1.340 60.800 62.100 0.065 0.000 1.110 458 T CB 1.381 70.290 68.868 0.069 0.000 1.201 458 T HN 0.183 nan 8.240 nan 0.000 0.474 459 P HA 0.165 nan 4.420 nan 0.000 0.266 459 P C -0.369 176.950 177.300 0.032 0.000 1.195 459 P CA -0.007 63.112 63.100 0.032 0.000 0.768 459 P CB 0.792 32.506 31.700 0.023 0.000 0.838 460 E N 0.957 121.168 120.200 0.018 0.000 2.383 460 E HA 0.415 4.767 4.350 0.003 0.000 0.264 460 E C 1.161 177.761 176.600 -0.001 0.000 1.050 460 E CA 0.566 56.977 56.400 0.017 0.000 0.896 460 E CB 0.092 29.773 29.700 -0.032 0.000 0.982 460 E HN 0.782 nan 8.360 nan 0.000 0.424 461 G N 2.318 111.120 108.800 0.004 0.000 2.578 461 G HA2 -0.239 3.723 3.960 0.003 0.000 0.232 461 G HA3 -0.239 3.723 3.960 0.003 0.000 0.232 461 G C -1.742 173.148 174.900 -0.018 0.000 1.176 461 G CA -0.288 44.805 45.100 -0.011 0.000 0.968 461 G HN 0.563 nan 8.290 nan 0.000 0.583 462 P HA -0.057 nan 4.420 nan 0.000 0.201 462 P C 1.378 178.672 177.300 -0.010 0.000 1.046 462 P CA 1.873 64.963 63.100 -0.016 0.000 0.942 462 P CB -0.356 31.342 31.700 -0.003 0.000 0.733 463 N N -0.676 118.026 118.700 0.004 0.000 2.659 463 N HA -0.073 4.669 4.740 0.003 0.000 0.194 463 N C 0.196 175.715 175.510 0.016 0.000 1.140 463 N CA 0.455 53.513 53.050 0.013 0.000 0.936 463 N CB -0.889 37.611 38.487 0.021 0.000 0.970 463 N HN 0.103 nan 8.380 nan 0.000 0.449 464 S N -0.539 115.167 115.700 0.009 0.000 2.544 464 S HA 0.280 4.752 4.470 0.003 0.000 0.290 464 S C 1.533 176.143 174.600 0.016 0.000 1.276 464 S CA 0.531 58.742 58.200 0.019 0.000 1.075 464 S CB -0.094 63.114 63.200 0.014 0.000 0.849 464 S HN 0.603 nan 8.310 nan 0.000 0.494 465 G N 3.832 112.652 108.800 0.033 0.000 2.245 465 G HA2 -0.247 3.715 3.960 0.003 0.000 0.264 465 G HA3 -0.247 3.715 3.960 0.003 0.000 0.264 465 G C 0.658 175.583 174.900 0.042 0.000 0.985 465 G CA 0.627 45.749 45.100 0.038 0.000 0.625 465 G HN 0.679 nan 8.290 nan 0.000 0.536 466 L N -0.606 120.637 121.223 0.035 0.000 2.269 466 L HA 0.428 4.770 4.340 0.003 0.000 0.200 466 L C 1.567 178.463 176.870 0.044 0.000 1.069 466 L CA 0.776 55.640 54.840 0.039 0.000 0.804 466 L CB 0.159 42.236 42.059 0.029 0.000 0.987 466 L HN 0.240 nan 8.230 nan 0.000 0.468 467 V N 1.308 121.245 119.914 0.039 0.000 2.532 467 V HA 0.405 4.527 4.120 0.003 0.000 0.295 467 V C -0.849 175.268 176.094 0.038 0.000 1.041 467 V CA -0.299 62.025 62.300 0.040 0.000 0.926 467 V CB 1.431 33.278 31.823 0.040 0.000 0.992 467 V HN 0.352 nan 8.190 nan 0.000 0.457 468 K N 3.960 124.379 120.400 0.032 0.000 2.597 468 K HA 0.469 4.791 4.320 0.003 0.000 0.282 468 K C -1.055 175.547 176.600 0.004 0.000 0.975 468 K CA -0.844 55.453 56.287 0.017 0.000 0.867 468 K CB 1.519 34.023 32.500 0.006 0.000 1.465 468 K HN 0.631 nan 8.250 nan 0.000 0.417 469 N N 0.550 119.246 118.700 -0.008 0.000 2.379 469 N HA 0.310 5.052 4.740 0.003 0.000 0.260 469 N C -0.573 174.908 175.510 -0.047 0.000 1.254 469 N CA -0.698 52.341 53.050 -0.018 0.000 0.958 469 N CB 0.617 39.093 38.487 -0.019 0.000 1.208 469 N HN 0.222 nan 8.380 nan 0.000 0.532 470 L N 0.708 121.903 121.223 -0.047 0.000 2.375 470 L HA 0.491 4.833 4.340 0.003 0.000 0.268 470 L C 0.478 177.299 176.870 -0.082 0.000 1.058 470 L CA -0.627 54.171 54.840 -0.070 0.000 0.803 470 L CB 1.321 43.358 42.059 -0.037 0.000 1.212 470 L HN 0.595 nan 8.230 nan 0.000 0.451 471 A N 1.707 124.454 122.820 -0.122 0.000 2.267 471 A HA 0.341 4.663 4.320 0.003 0.000 0.271 471 A C 0.917 178.468 177.584 -0.054 0.000 1.131 471 A CA -0.289 51.669 52.037 -0.132 0.000 0.818 471 A CB 0.243 19.107 19.000 -0.228 0.000 1.118 471 A HN 0.817 nan 8.150 nan 0.000 0.501 472 L N -0.227 120.993 121.223 -0.005 0.000 2.275 472 L HA -0.146 4.196 4.340 0.003 0.000 0.215 472 L C 1.921 178.829 176.870 0.063 0.000 1.119 472 L CA 0.973 55.904 54.840 0.152 0.000 0.790 472 L CB -1.154 41.101 42.059 0.327 0.000 0.919 472 L HN 0.983 nan 8.230 nan 0.000 0.443 473 M N 1.060 120.588 119.600 -0.120 0.000 7.266 473 M HA -0.337 4.145 4.480 0.003 0.000 0.169 473 M C 0.660 176.777 176.300 -0.304 0.000 0.490 473 M CA 2.139 57.289 55.300 -0.250 0.000 1.299 473 M CB -1.244 31.227 32.600 -0.215 0.000 0.425 473 M HN -0.008 nan 8.290 nan 0.000 0.550 474 A N -0.614 122.097 122.820 -0.182 0.000 3.339 474 A HA 0.530 4.852 4.320 0.003 0.000 0.219 474 A C -0.025 177.668 177.584 0.180 0.000 0.974 474 A CA 0.306 52.341 52.037 -0.003 0.000 1.050 474 A CB -0.261 18.554 19.000 -0.309 0.000 1.271 474 A HN 0.867 nan 8.150 nan 0.000 0.565 475 Q N -0.204 119.673 119.800 0.128 0.000 0.503 475 Q HA -0.179 4.163 4.340 0.003 0.000 0.219 475 Q C -0.666 175.390 176.000 0.093 0.000 1.105 475 Q CA 1.117 56.989 55.803 0.114 0.000 0.198 475 Q CB -0.206 28.614 28.738 0.136 0.000 5.618 475 Q HN 0.903 nan 8.270 nan 0.000 0.294 476 I N 1.427 122.039 120.570 0.071 0.000 2.287 476 I HA 0.508 4.680 4.170 0.003 0.000 0.290 476 I C 0.865 177.017 176.117 0.057 0.000 1.069 476 I CA 0.198 61.531 61.300 0.056 0.000 1.237 476 I CB -0.681 37.339 38.000 0.032 0.000 1.418 476 I HN 0.729 nan 8.210 nan 0.000 0.481 477 A N 5.581 128.444 122.820 0.072 0.000 2.614 477 A HA 0.244 4.566 4.320 0.003 0.000 0.231 477 A C 0.987 178.590 177.584 0.031 0.000 1.076 477 A CA 0.381 52.452 52.037 0.057 0.000 0.767 477 A CB 0.289 19.328 19.000 0.066 0.000 1.012 477 A HN 0.818 nan 8.150 nan 0.000 0.512 478 V N 0.594 120.518 119.914 0.018 0.000 3.166 478 V HA 0.448 4.570 4.120 0.003 0.000 0.332 478 V C 1.429 177.523 176.094 -0.001 0.000 1.434 478 V CA 0.060 62.364 62.300 0.007 0.000 1.121 478 V CB -1.381 30.444 31.823 0.003 0.000 1.062 478 V HN 1.901 nan 8.190 nan 0.000 0.489 479 G N 2.297 111.098 108.800 0.002 0.000 2.557 479 G HA2 -0.273 3.690 3.960 0.003 0.000 0.734 479 G HA3 -0.273 3.690 3.960 0.003 0.000 0.734 479 G C -0.021 174.873 174.900 -0.011 0.000 1.327 479 G CA 1.609 46.708 45.100 -0.003 0.000 0.910 479 G HN 0.637 nan 8.290 nan 0.000 0.553 480 I N -1.539 119.023 120.570 -0.013 0.000 3.181 480 I HA 0.235 4.407 4.170 0.003 0.000 0.311 480 I C -0.413 175.691 176.117 -0.022 0.000 1.287 480 I CA -1.012 60.277 61.300 -0.019 0.000 0.958 480 I CB 2.139 40.127 38.000 -0.020 0.000 1.294 480 I HN 0.542 nan 8.210 nan 0.000 0.467 481 N N 1.883 120.567 118.700 -0.025 0.000 2.447 481 N HA 0.029 4.771 4.740 0.003 0.000 0.263 481 N C 0.568 176.060 175.510 -0.029 0.000 1.226 481 N CA 0.410 53.444 53.050 -0.027 0.000 0.906 481 N CB 0.755 39.225 38.487 -0.029 0.000 1.060 481 N HN 0.562 nan 8.380 nan 0.000 0.468 482 E N 2.921 123.104 120.200 -0.029 0.000 2.010 482 E HA -0.290 4.062 4.350 0.003 0.000 0.246 482 E C 1.094 177.666 176.600 -0.047 0.000 0.885 482 E CA 1.023 57.403 56.400 -0.034 0.000 1.195 482 E CB -0.055 29.626 29.700 -0.031 0.000 0.821 482 E HN 0.536 nan 8.360 nan 0.000 0.605 483 R N -0.524 119.942 120.500 -0.056 0.000 2.547 483 R HA -0.310 4.032 4.340 0.003 0.000 0.238 483 R C 2.223 178.468 176.300 -0.092 0.000 0.765 483 R CA 2.627 58.681 56.100 -0.077 0.000 0.190 483 R CB -2.221 28.047 30.300 -0.053 0.000 0.584 483 R HN 0.461 nan 8.270 nan 0.000 0.225 484 I N 0.973 121.504 120.570 -0.066 0.000 2.597 484 I HA -0.233 3.939 4.170 0.003 0.000 0.262 484 I C 2.318 178.399 176.117 -0.061 0.000 1.194 484 I CA 1.310 62.575 61.300 -0.059 0.000 1.437 484 I CB -0.328 37.647 38.000 -0.042 0.000 1.096 484 I HN 0.049 nan 8.210 nan 0.000 0.451 485 V N 0.683 120.559 119.914 -0.064 0.000 2.908 485 V HA -0.076 4.046 4.120 0.003 0.000 0.240 485 V C 2.224 178.271 176.094 -0.079 0.000 1.117 485 V CA 1.047 63.316 62.300 -0.051 0.000 1.133 485 V CB -0.256 31.551 31.823 -0.026 0.000 0.857 485 V HN 0.509 nan 8.190 nan 0.000 0.478 486 E N 0.786 120.917 120.200 -0.115 0.000 2.510 486 E HA -0.183 4.169 4.350 0.003 0.000 0.202 486 E C 1.696 178.024 176.600 -0.452 0.000 1.072 486 E CA 1.101 57.391 56.400 -0.182 0.000 0.883 486 E CB -0.103 29.501 29.700 -0.160 0.000 0.818 486 E HN 0.530 nan 8.360 nan 0.000 0.548 487 K N -0.191 120.010 120.400 -0.332 0.000 2.350 487 K HA 0.097 4.419 4.320 0.003 0.000 0.196 487 K C 1.649 178.167 176.600 -0.137 0.000 1.084 487 K CA 0.857 56.924 56.287 -0.367 0.000 0.967 487 K CB 0.521 32.877 32.500 -0.239 0.000 0.950 487 K HN 0.012 nan 8.250 nan 0.000 0.512 488 T N 1.957 116.466 114.554 -0.075 0.000 3.051 488 T HA 0.012 4.364 4.350 0.003 0.000 0.269 488 T C 1.623 176.337 174.700 0.024 0.000 1.127 488 T CA 0.719 62.811 62.100 -0.013 0.000 1.107 488 T CB 0.024 68.887 68.868 -0.007 0.000 0.898 488 T HN 0.073 nan 8.240 nan 0.000 0.517 489 L N -0.756 120.485 121.223 0.031 0.000 2.084 489 L HA 0.047 4.389 4.340 0.003 0.000 0.202 489 L C 2.333 179.299 176.870 0.161 0.000 1.074 489 L CA 1.002 55.895 54.840 0.089 0.000 0.757 489 L CB -0.586 41.536 42.059 0.105 0.000 0.918 489 L HN 0.154 nan 8.230 nan 0.000 0.444 490 Y N 1.311 121.574 120.300 -0.063 0.000 2.139 490 Y HA -0.309 4.243 4.550 0.004 0.000 0.282 490 Y C 2.580 178.445 175.900 -0.058 0.000 1.179 490 Y CA 1.232 59.288 58.100 -0.073 0.000 1.161 490 Y CB -0.927 37.505 38.460 -0.046 0.000 0.970 490 Y HN 0.321 nan 8.280 nan 0.000 0.511 491 E N -0.934 119.352 120.200 0.143 0.000 2.265 491 E HA -0.165 4.187 4.350 0.003 0.000 0.196 491 E C 1.653 178.285 176.600 0.055 0.000 0.996 491 E CA 0.911 57.355 56.400 0.075 0.000 0.832 491 E CB -0.245 29.486 29.700 0.052 0.000 0.756 491 E HN 0.463 nan 8.360 nan 0.000 0.491 492 M N -0.597 119.036 119.600 0.055 0.000 2.505 492 M HA 0.143 4.625 4.480 0.003 0.000 0.230 492 M C 0.853 177.181 176.300 0.047 0.000 1.153 492 M CA 0.445 55.781 55.300 0.060 0.000 0.997 492 M CB 1.041 33.687 32.600 0.076 0.000 1.606 492 M HN 0.323 nan 8.290 nan 0.000 0.481 493 G N 0.212 109.001 108.800 -0.018 0.000 2.211 493 G HA2 -0.179 3.783 3.960 0.003 0.000 0.201 493 G HA3 -0.179 3.783 3.960 0.003 0.000 0.201 493 G C 0.071 174.756 174.900 -0.358 0.000 0.997 493 G CA -0.569 44.477 45.100 -0.090 0.000 0.652 493 G HN 0.242 nan 8.290 nan 0.000 0.500 494 V N 2.075 121.772 119.914 -0.362 0.000 2.434 494 V HA 0.273 4.395 4.120 0.003 0.000 0.281 494 V C 0.990 176.779 176.094 -0.508 0.000 1.005 494 V CA 0.278 62.290 62.300 -0.480 0.000 1.089 494 V CB 1.250 32.968 31.823 -0.175 0.000 0.978 494 V HN 0.280 nan 8.190 nan 0.000 0.474 495 V N 10.052 129.685 119.914 -0.468 0.000 2.368 495 V HA 0.234 4.356 4.120 0.003 0.000 0.266 495 V C -1.647 174.216 176.094 -0.385 0.000 1.045 495 V CA -1.637 60.422 62.300 -0.401 0.000 0.899 495 V CB 1.158 32.774 31.823 -0.345 0.000 1.006 495 V HN 0.742 nan 8.190 nan 0.000 0.470 496 P HA 0.037 nan 4.420 nan 0.000 0.266 496 P C 1.136 178.373 177.300 -0.106 0.000 1.193 496 P CA 0.226 63.136 63.100 -0.317 0.000 0.770 496 P CB 1.155 32.680 31.700 -0.291 0.000 0.836 497 V N 3.450 123.373 119.914 0.015 0.000 2.232 497 V HA -0.310 3.812 4.120 0.003 0.000 0.241 497 V C 2.433 178.582 176.094 0.092 0.000 1.036 497 V CA 2.383 64.745 62.300 0.103 0.000 0.993 497 V CB -1.379 30.518 31.823 0.123 0.000 0.639 497 V HN 0.652 nan 8.190 nan 0.000 0.459 498 E N -0.442 119.880 120.200 0.203 0.000 2.217 498 E HA -0.375 3.977 4.350 0.003 0.000 0.219 498 E C 2.130 178.775 176.600 0.074 0.000 1.070 498 E CA 2.070 58.589 56.400 0.198 0.000 0.889 498 E CB -0.354 29.475 29.700 0.215 0.000 0.768 498 E HN 0.643 nan 8.360 nan 0.000 0.465 499 E N 0.245 120.454 120.200 0.015 0.000 2.253 499 E HA -0.186 4.166 4.350 0.003 0.000 0.202 499 E C -0.018 176.546 176.600 -0.061 0.000 1.014 499 E CA 0.734 57.111 56.400 -0.040 0.000 0.823 499 E CB 0.065 29.708 29.700 -0.096 0.000 0.736 499 E HN 0.045 nan 8.360 nan 0.000 0.478 500 V N 2.894 122.764 119.914 -0.074 0.000 2.352 500 V HA 0.114 4.236 4.120 0.003 0.000 0.253 500 V C 0.206 176.307 176.094 0.011 0.000 1.083 500 V CA 0.279 62.523 62.300 -0.094 0.000 0.993 500 V CB -0.520 31.173 31.823 -0.216 0.000 1.111 500 V HN 0.086 nan 8.190 nan 0.000 0.490 516 K N -0.114 120.080 120.400 -0.345 0.000 2.458 516 K HA 0.079 4.401 4.320 0.003 0.000 0.194 516 K C -0.342 176.243 176.600 -0.024 0.000 1.024 516 K CA -0.250 55.940 56.287 -0.161 0.000 1.108 516 K CB 0.163 32.543 32.500 -0.200 0.000 0.846 516 K HN 0.072 nan 8.250 nan 0.000 0.518 517 W N 2.305 123.646 121.300 0.069 0.000 2.123 517 W HA -0.016 4.646 4.660 0.004 0.000 0.351 517 W C 0.947 177.567 176.519 0.168 0.000 1.292 517 W CA -0.273 57.146 57.345 0.124 0.000 1.263 517 W CB 0.159 29.726 29.460 0.179 0.000 1.165 517 W HN -0.024 nan 8.180 nan 0.000 0.590 518 S N 1.637 117.569 115.700 0.385 0.000 2.422 518 S HA 0.396 4.868 4.470 0.003 0.000 0.308 518 S C -0.123 174.598 174.600 0.202 0.000 1.097 518 S CA -0.962 57.373 58.200 0.225 0.000 1.099 518 S CB 1.303 64.566 63.200 0.104 0.000 0.976 518 S HN 0.313 nan 8.310 nan 0.000 0.471 519 K N 1.637 122.044 120.400 0.012 0.000 2.229 519 K HA 0.372 4.694 4.320 0.003 0.000 0.250 519 K C -0.650 175.837 176.600 -0.189 0.000 1.016 519 K CA -0.430 55.661 56.287 -0.327 0.000 0.866 519 K CB 0.226 32.489 32.500 -0.395 0.000 1.028 519 K HN 0.476 nan 8.250 nan 0.000 0.514 520 V N 1.838 121.582 119.914 -0.282 0.000 2.668 520 V HA 0.265 4.387 4.120 0.003 0.000 0.304 520 V C -1.228 174.788 176.094 -0.130 0.000 1.071 520 V CA -0.788 61.423 62.300 -0.149 0.000 0.894 520 V CB 1.576 33.343 31.823 -0.094 0.000 1.008 520 V HN 0.478 nan 8.190 nan 0.000 0.425 521 I N 5.820 126.358 120.570 -0.052 0.000 2.420 521 I HA 0.364 4.536 4.170 0.003 0.000 0.282 521 I C -0.487 175.706 176.117 0.126 0.000 1.019 521 I CA -0.162 61.191 61.300 0.090 0.000 1.130 521 I CB 1.670 39.849 38.000 0.300 0.000 1.262 521 I HN 0.348 nan 8.210 nan 0.000 0.454 522 L N 7.330 128.610 121.223 0.096 0.000 2.288 522 L HA 0.431 4.773 4.340 0.003 0.000 0.283 522 L C -0.142 176.768 176.870 0.066 0.000 1.072 522 L CA 0.034 54.920 54.840 0.077 0.000 0.862 522 L CB -0.655 41.443 42.059 0.065 0.000 1.245 522 L HN 0.760 nan 8.230 nan 0.000 0.432 523 N N 3.779 122.512 118.700 0.056 0.000 2.780 523 N HA -0.166 4.577 4.740 0.003 0.000 0.247 523 N C 0.813 176.343 175.510 0.033 0.000 1.076 523 N CA 1.171 54.234 53.050 0.022 0.000 0.688 523 N CB -1.170 37.309 38.487 -0.014 0.000 0.957 523 N HN 1.038 nan 8.380 nan 0.000 0.551 524 G N 0.014 108.860 108.800 0.077 0.000 2.323 524 G HA2 -0.348 3.615 3.960 0.003 0.000 0.292 524 G HA3 -0.348 3.615 3.960 0.003 0.000 0.292 524 G C -0.083 174.912 174.900 0.159 0.000 1.040 524 G CA 0.718 45.883 45.100 0.108 0.000 0.942 524 G HN 0.728 nan 8.290 nan 0.000 0.506 525 R N -0.390 120.217 120.500 0.178 0.000 2.533 525 R HA 0.568 4.910 4.340 0.003 0.000 0.288 525 R C -1.060 175.409 176.300 0.281 0.000 1.039 525 R CA -1.097 55.167 56.100 0.273 0.000 0.909 525 R CB 1.051 31.419 30.300 0.114 0.000 1.195 525 R HN 0.254 nan 8.270 nan 0.000 0.438 526 L N 6.960 128.380 121.223 0.328 0.000 2.255 526 L HA 0.254 4.596 4.340 0.003 0.000 0.289 526 L C 0.486 177.278 176.870 -0.131 0.000 1.046 526 L CA -0.637 54.148 54.840 -0.093 0.000 0.816 526 L CB 0.930 42.685 42.059 -0.506 0.000 1.197 526 L HN 0.766 nan 8.230 nan 0.000 0.427 527 I N 3.615 124.149 120.570 -0.060 0.000 2.641 527 I HA 0.248 4.421 4.170 0.003 0.000 0.232 527 I C 1.235 177.298 176.117 -0.090 0.000 1.060 527 I CA 1.014 62.327 61.300 0.022 0.000 1.417 527 I CB -0.966 37.128 38.000 0.156 0.000 1.227 527 I HN 0.634 nan 8.210 nan 0.000 0.434 528 G N -2.064 106.657 108.800 -0.132 0.000 3.058 528 G HA2 0.539 4.501 3.960 0.003 0.000 0.282 528 G HA3 0.539 4.501 3.960 0.003 0.000 0.282 528 G C -1.440 173.424 174.900 -0.059 0.000 1.248 528 G CA -0.107 44.959 45.100 -0.057 0.000 0.822 528 G HN 0.075 nan 8.290 nan 0.000 0.579 529 Y N -1.628 118.550 120.300 -0.204 0.000 3.265 529 Y HA 0.706 5.258 4.550 0.004 0.000 0.285 529 Y C -0.609 175.329 175.900 0.065 0.000 1.889 529 Y CA -1.084 56.992 58.100 -0.040 0.000 1.021 529 Y CB 0.734 39.171 38.460 -0.039 0.000 1.513 529 Y HN 0.961 nan 8.280 nan 0.000 0.543 530 Y N -0.563 119.767 120.300 0.048 0.000 2.058 530 Y HA 0.006 4.558 4.550 0.003 0.000 0.311 530 Y C -0.938 175.144 175.900 0.304 0.000 1.379 530 Y CA -1.383 56.723 58.100 0.009 0.000 1.864 530 Y CB -0.792 37.648 38.460 -0.032 0.000 1.185 530 Y HN 0.667 nan 8.280 nan 0.000 0.443 531 Q N 4.326 124.493 119.800 0.612 0.000 2.539 531 Q HA 0.021 4.364 4.340 0.003 0.000 0.268 531 Q C 0.158 176.085 176.000 -0.122 0.000 1.109 531 Q CA 1.002 56.946 55.803 0.234 0.000 0.968 531 Q CB 0.539 29.386 28.738 0.182 0.000 1.309 531 Q HN 0.931 nan 8.270 nan 0.000 0.497 532 D N 0.263 120.593 120.400 -0.117 0.000 3.133 532 D HA -0.136 4.506 4.640 0.003 0.000 0.239 532 D C 0.586 176.684 176.300 -0.336 0.000 1.136 532 D CA 0.930 54.821 54.000 -0.183 0.000 0.898 532 D CB -0.881 39.829 40.800 -0.150 0.000 0.959 532 D HN 0.801 nan 8.370 nan 0.000 0.415 533 G N 1.185 109.834 108.800 -0.253 0.000 2.439 533 G HA2 0.004 3.966 3.960 0.003 0.000 0.212 533 G HA3 0.004 3.966 3.960 0.003 0.000 0.212 533 G C 1.611 176.346 174.900 -0.276 0.000 1.199 533 G CA 0.936 45.894 45.100 -0.238 0.000 0.807 533 G HN 0.541 nan 8.290 nan 0.000 0.537 534 G N 0.171 108.821 108.800 -0.250 0.000 2.790 534 G HA2 -0.185 3.777 3.960 0.003 0.000 0.220 534 G HA3 -0.185 3.777 3.960 0.003 0.000 0.220 534 G C 1.453 176.148 174.900 -0.342 0.000 1.095 534 G CA 1.284 46.167 45.100 -0.361 0.000 0.713 534 G HN 0.536 nan 8.290 nan 0.000 0.603 535 E N -0.962 119.088 120.200 -0.250 0.000 2.340 535 E HA 0.131 4.483 4.350 0.003 0.000 0.198 535 E C 2.317 178.850 176.600 -0.111 0.000 0.961 535 E CA -0.428 55.882 56.400 -0.150 0.000 0.905 535 E CB -0.089 29.550 29.700 -0.101 0.000 0.884 535 E HN 0.297 nan 8.360 nan 0.000 0.491 536 L N 1.707 122.860 121.223 -0.115 0.000 2.051 536 L HA -0.246 4.096 4.340 0.003 0.000 0.214 536 L C 2.189 179.094 176.870 0.059 0.000 1.076 536 L CA 2.334 57.203 54.840 0.048 0.000 0.758 536 L CB -1.203 40.987 42.059 0.220 0.000 0.890 536 L HN 0.047 nan 8.230 nan 0.000 0.433 537 A N 0.968 123.757 122.820 -0.052 0.000 1.882 537 A HA -0.354 3.968 4.320 0.003 0.000 0.220 537 A C 1.989 179.640 177.584 0.111 0.000 1.253 537 A CA 2.451 54.570 52.037 0.136 0.000 0.664 537 A CB -1.177 17.835 19.000 0.019 0.000 0.838 537 A HN 0.690 nan 8.150 nan 0.000 0.460 538 N N -0.196 118.531 118.700 0.045 0.000 2.184 538 N HA -0.172 4.570 4.740 0.003 0.000 0.190 538 N C 1.651 177.198 175.510 0.062 0.000 1.011 538 N CA 1.674 54.756 53.050 0.054 0.000 0.867 538 N CB -0.303 38.199 38.487 0.026 0.000 0.993 538 N HN 0.649 nan 8.380 nan 0.000 0.433 539 K N 0.772 121.211 120.400 0.066 0.000 1.973 539 K HA 0.024 4.346 4.320 0.003 0.000 0.210 539 K C 2.152 178.802 176.600 0.083 0.000 1.045 539 K CA 0.859 57.190 56.287 0.073 0.000 0.937 539 K CB -0.191 32.361 32.500 0.088 0.000 0.721 539 K HN 0.132 nan 8.250 nan 0.000 0.438 540 I N 1.107 121.741 120.570 0.107 0.000 2.423 540 I HA -0.258 3.914 4.170 0.003 0.000 0.254 540 I C 2.101 178.279 176.117 0.102 0.000 1.151 540 I CA 1.287 62.651 61.300 0.108 0.000 1.421 540 I CB -0.286 37.797 38.000 0.138 0.000 1.079 540 I HN 0.174 nan 8.210 nan 0.000 0.431 541 R N 0.322 120.888 120.500 0.111 0.000 2.254 541 R HA 0.028 4.370 4.340 0.003 0.000 0.195 541 R C 1.765 178.115 176.300 0.083 0.000 0.957 541 R CA 0.347 56.513 56.100 0.110 0.000 1.024 541 R CB 0.081 30.465 30.300 0.139 0.000 0.952 541 R HN 0.402 nan 8.270 nan 0.000 0.484 542 E N 0.468 120.708 120.200 0.068 0.000 2.230 542 E HA -0.019 4.333 4.350 0.003 0.000 0.192 542 E C 1.816 178.442 176.600 0.043 0.000 0.987 542 E CA 0.491 56.921 56.400 0.050 0.000 0.841 542 E CB 0.298 30.023 29.700 0.042 0.000 0.783 542 E HN 0.230 nan 8.360 nan 0.000 0.481 543 R N 0.613 121.141 120.500 0.047 0.000 2.062 543 R HA 0.055 4.397 4.340 0.003 0.000 0.226 543 R C 2.407 178.728 176.300 0.035 0.000 1.125 543 R CA 0.521 56.644 56.100 0.038 0.000 0.966 543 R CB -0.273 30.052 30.300 0.042 0.000 0.861 543 R HN -0.034 nan 8.270 nan 0.000 0.433 544 R N 1.855 122.383 120.500 0.046 0.000 2.200 544 R HA -0.103 4.239 4.340 0.003 0.000 0.234 544 R C 1.629 177.952 176.300 0.037 0.000 1.127 544 R CA 1.479 57.604 56.100 0.043 0.000 0.989 544 R CB -0.040 30.297 30.300 0.061 0.000 0.869 544 R HN 0.210 nan 8.270 nan 0.000 0.459 545 R N -0.453 120.073 120.500 0.042 0.000 2.140 545 R HA 0.101 4.443 4.340 0.003 0.000 0.213 545 R C 1.626 177.938 176.300 0.019 0.000 1.059 545 R CA 0.375 56.496 56.100 0.035 0.000 1.000 545 R CB 0.098 30.424 30.300 0.043 0.000 0.910 545 R HN -0.082 nan 8.270 nan 0.000 0.455 546 K N 0.436 120.848 120.400 0.019 0.000 2.522 546 K HA 0.069 4.391 4.320 0.003 0.000 0.194 546 K C 0.280 176.883 176.600 0.005 0.000 1.026 546 K CA 0.422 56.716 56.287 0.012 0.000 1.119 546 K CB 0.319 32.828 32.500 0.015 0.000 0.856 546 K HN 0.386 nan 8.250 nan 0.000 0.513 547 G N 2.347 111.149 108.800 0.003 0.000 2.371 547 G HA2 -0.291 3.671 3.960 0.003 0.000 0.299 547 G HA3 -0.291 3.671 3.960 0.003 0.000 0.299 547 G C 0.400 175.299 174.900 -0.001 0.000 1.014 547 G CA 0.957 46.054 45.100 -0.004 0.000 1.097 547 G HN 0.517 nan 8.290 nan 0.000 0.512 548 E N -1.471 118.732 120.200 0.005 0.000 2.500 548 E HA 0.281 4.633 4.350 0.003 0.000 0.217 548 E C 0.426 177.031 176.600 0.009 0.000 0.848 548 E CA -0.357 56.048 56.400 0.007 0.000 1.217 548 E CB 0.392 30.100 29.700 0.013 0.000 1.217 548 E HN 0.311 nan 8.360 nan 0.000 0.573 549 I N 1.382 121.959 120.570 0.013 0.000 2.498 549 I HA 0.208 4.380 4.170 0.003 0.000 0.290 549 I C 0.141 176.263 176.117 0.008 0.000 1.032 549 I CA -0.644 60.665 61.300 0.015 0.000 1.073 549 I CB 1.516 39.534 38.000 0.030 0.000 1.251 549 I HN -0.020 nan 8.210 nan 0.000 0.426 550 S N 3.605 119.305 115.700 0.000 0.000 2.549 550 S HA -0.066 4.406 4.470 0.003 0.000 0.278 550 S C 0.702 175.298 174.600 -0.008 0.000 1.344 550 S CA 0.182 58.376 58.200 -0.010 0.000 1.025 550 S CB 0.297 63.489 63.200 -0.013 0.000 0.851 550 S HN 0.513 nan 8.310 nan 0.000 0.530 551 D N 1.687 122.069 120.400 -0.030 0.000 2.336 551 D HA 0.093 4.735 4.640 0.003 0.000 0.229 551 D C 0.506 176.786 176.300 -0.032 0.000 1.061 551 D CA 0.342 54.315 54.000 -0.044 0.000 0.875 551 D CB 0.086 40.819 40.800 -0.112 0.000 0.904 551 D HN 0.573 nan 8.370 nan 0.000 0.525 552 E N 0.325 120.516 120.200 -0.015 0.000 2.651 552 E HA 0.146 4.498 4.350 0.003 0.000 0.208 552 E C -0.398 176.211 176.600 0.015 0.000 0.997 552 E CA -0.109 56.290 56.400 -0.000 0.000 1.020 552 E CB 1.616 31.309 29.700 -0.011 0.000 1.052 552 E HN 0.003 nan 8.360 nan 0.000 0.465 553 V N 2.489 122.417 119.914 0.023 0.000 2.326 553 V HA 0.260 4.382 4.120 0.003 0.000 0.281 553 V C -0.306 175.816 176.094 0.047 0.000 1.015 553 V CA -0.807 61.512 62.300 0.031 0.000 0.823 553 V CB 1.182 33.023 31.823 0.029 0.000 1.009 553 V HN 0.107 nan 8.190 nan 0.000 0.436 554 N N 3.704 122.431 118.700 0.045 0.000 2.392 554 N HA 0.615 5.357 4.740 0.003 0.000 0.283 554 N C -1.011 174.519 175.510 0.034 0.000 1.003 554 N CA -0.280 52.800 53.050 0.049 0.000 0.892 554 N CB 2.655 41.171 38.487 0.049 0.000 1.193 554 N HN 0.350 nan 8.380 nan 0.000 0.487 555 V N 0.764 120.692 119.914 0.024 0.000 2.443 555 V HA 0.638 4.760 4.120 0.003 0.000 0.293 555 V C 0.635 176.599 176.094 -0.217 0.000 1.021 555 V CA -0.873 61.392 62.300 -0.057 0.000 0.848 555 V CB 1.522 33.350 31.823 0.009 0.000 0.998 555 V HN 0.711 nan 8.190 nan 0.000 0.424 556 G N 2.491 111.124 108.800 -0.278 0.000 2.509 556 G HA2 0.720 4.682 3.960 0.003 0.000 0.328 556 G HA3 0.720 4.682 3.960 0.003 0.000 0.328 556 G C -0.993 173.541 174.900 -0.611 0.000 1.194 556 G CA -0.486 44.447 45.100 -0.279 0.000 0.967 556 G HN 0.692 nan 8.290 nan 0.000 0.488 557 H N 0.736 119.869 119.070 0.104 0.000 3.013 557 H HA 0.210 4.768 4.556 0.004 0.000 0.326 557 H C -0.555 174.820 175.328 0.079 0.000 0.973 557 H CA -0.630 55.463 56.048 0.075 0.000 1.369 557 H CB 1.670 31.462 29.762 0.050 0.000 1.598 557 H HN 0.154 nan 8.280 nan 0.000 0.518 558 I N 3.742 124.412 120.570 0.167 0.000 2.496 558 I HA -0.039 4.134 4.170 0.003 0.000 0.285 558 I C 1.432 177.617 176.117 0.114 0.000 1.080 558 I CA 0.090 61.476 61.300 0.143 0.000 1.404 558 I CB 0.771 38.881 38.000 0.183 0.000 1.403 558 I HN 0.359 nan 8.210 nan 0.000 0.539 559 V N 4.355 124.327 119.914 0.097 0.000 2.906 559 V HA 0.206 4.328 4.120 0.003 0.000 0.221 559 V C 0.735 176.885 176.094 0.093 0.000 1.147 559 V CA 0.373 62.725 62.300 0.086 0.000 1.235 559 V CB -0.719 31.149 31.823 0.076 0.000 1.000 559 V HN 0.939 nan 8.190 nan 0.000 0.510 560 T N 0.765 115.377 114.554 0.097 0.000 0.541 560 T HA -0.215 4.137 4.350 0.003 0.000 0.774 560 T C 0.038 174.839 174.700 0.169 0.000 0.992 560 T CA 1.099 63.283 62.100 0.140 0.000 4.077 560 T CB -0.544 68.418 68.868 0.156 0.000 2.303 560 T HN 0.682 nan 8.240 nan 0.000 0.398 561 D N -0.474 120.103 120.400 0.295 0.000 2.360 561 D HA 0.287 4.929 4.640 0.003 0.000 0.210 561 D C 1.190 177.475 176.300 -0.024 0.000 1.047 561 D CA 0.454 54.544 54.000 0.150 0.000 0.854 561 D CB 0.089 40.985 40.800 0.161 0.000 0.936 561 D HN 0.452 nan 8.370 nan 0.000 0.514 562 F N -0.297 119.668 119.950 0.025 0.000 2.767 562 F HA 0.398 4.927 4.527 0.003 0.000 0.323 562 F C 0.638 176.462 175.800 0.040 0.000 1.091 562 F CA -0.424 57.595 58.000 0.031 0.000 1.192 562 F CB 0.517 39.535 39.000 0.030 0.000 1.056 562 F HN -0.198 nan 8.300 nan 0.000 0.571 563 I N -0.542 120.162 120.570 0.223 0.000 2.982 563 I HA 0.323 4.495 4.170 0.003 0.000 0.312 563 I C 0.290 176.471 176.117 0.107 0.000 1.041 563 I CA -0.376 61.013 61.300 0.149 0.000 1.053 563 I CB 1.978 40.059 38.000 0.135 0.000 1.248 563 I HN -0.087 nan 8.210 nan 0.000 0.471 564 N N 0.262 119.015 118.700 0.088 0.000 1.899 564 N HA 0.056 4.798 4.740 0.003 0.000 0.223 564 N C -0.882 174.658 175.510 0.051 0.000 1.411 564 N CA -0.146 52.946 53.050 0.070 0.000 0.737 564 N CB 0.615 39.147 38.487 0.075 0.000 1.100 564 N HN 0.539 nan 8.380 nan 0.000 0.527 565 E N 0.294 120.505 120.200 0.018 0.000 2.398 565 E HA 0.182 4.534 4.350 0.003 0.000 0.263 565 E C -0.687 175.811 176.600 -0.169 0.000 1.046 565 E CA 0.018 56.358 56.400 -0.100 0.000 0.908 565 E CB 1.645 31.242 29.700 -0.173 0.000 0.963 565 E HN -0.110 nan 8.360 nan 0.000 0.431 566 V N 3.740 123.523 119.914 -0.219 0.000 2.448 566 V HA 0.144 4.266 4.120 0.003 0.000 0.295 566 V C -0.648 175.231 176.094 -0.358 0.000 1.025 566 V CA -0.747 61.499 62.300 -0.090 0.000 0.859 566 V CB 1.154 33.126 31.823 0.249 0.000 0.988 566 V HN 0.638 nan 8.190 nan 0.000 0.431 567 H N 3.902 122.932 119.070 -0.067 0.000 2.595 567 H HA 0.467 5.025 4.556 0.004 0.000 0.313 567 H C -0.619 174.663 175.328 -0.075 0.000 1.023 567 H CA -0.377 55.638 56.048 -0.056 0.000 1.218 567 H CB 1.918 31.653 29.762 -0.045 0.000 1.403 567 H HN 0.350 nan 8.280 nan 0.000 0.477 568 V N 4.695 124.658 119.914 0.083 0.000 2.427 568 V HA 0.193 4.315 4.120 0.003 0.000 0.286 568 V C 0.338 176.470 176.094 0.063 0.000 1.034 568 V CA -0.615 61.720 62.300 0.059 0.000 0.893 568 V CB 1.309 33.169 31.823 0.062 0.000 0.982 568 V HN 0.711 nan 8.190 nan 0.000 0.452 569 N N 2.057 120.784 118.700 0.045 0.000 2.225 569 N HA 0.495 5.237 4.740 0.003 0.000 0.298 569 N C -0.188 175.337 175.510 0.024 0.000 1.076 569 N CA -0.368 52.702 53.050 0.033 0.000 0.792 569 N CB 2.371 40.874 38.487 0.027 0.000 1.498 569 N HN 0.671 nan 8.380 nan 0.000 0.474 570 C N -0.077 119.231 119.300 0.013 0.000 3.153 570 C HA 0.100 4.562 4.460 0.003 0.000 0.194 570 C C -0.625 174.367 174.990 0.002 0.000 2.416 570 C CA 0.599 59.620 59.018 0.006 0.000 1.229 570 C CB -0.633 27.106 27.740 -0.003 0.000 1.261 570 C HN 0.999 nan 8.230 nan 0.000 0.750 571 D N 1.936 122.332 120.400 -0.008 0.000 3.741 571 D HA -0.136 4.506 4.640 0.003 0.000 0.065 571 D C -0.412 175.886 176.300 -0.004 0.000 0.876 571 D CA 0.783 54.775 54.000 -0.013 0.000 0.395 571 D CB -0.139 40.647 40.800 -0.023 0.000 0.936 571 D HN 0.360 nan 8.370 nan 0.000 0.437 572 S N 2.025 117.722 115.700 -0.005 0.000 2.505 572 S HA 0.585 5.057 4.470 0.003 0.000 0.276 572 S C 0.751 175.354 174.600 0.005 0.000 1.274 572 S CA 0.045 58.247 58.200 0.003 0.000 1.053 572 S CB 0.841 64.043 63.200 0.003 0.000 0.919 572 S HN 1.360 nan 8.310 nan 0.000 0.490 573 G N 3.324 112.132 108.800 0.014 0.000 3.199 573 G HA2 0.108 4.070 3.960 0.003 0.000 0.680 573 G HA3 0.108 4.070 3.960 0.003 0.000 0.680 573 G C -0.767 174.147 174.900 0.022 0.000 1.197 573 G CA -0.986 44.123 45.100 0.016 0.000 1.143 573 G HN 0.941 nan 8.290 nan 0.000 0.492 574 R N 0.303 120.826 120.500 0.040 0.000 3.776 574 R HA 0.309 4.651 4.340 0.003 0.000 0.314 574 R C -0.561 175.778 176.300 0.065 0.000 0.920 574 R CA -1.121 55.010 56.100 0.051 0.000 1.117 574 R CB -0.318 30.005 30.300 0.038 0.000 1.365 574 R HN 0.846 nan 8.270 nan 0.000 0.437 575 V N 3.755 123.722 119.914 0.088 0.000 2.441 575 V HA 0.009 4.131 4.120 0.003 0.000 0.279 575 V C 0.796 176.902 176.094 0.020 0.000 0.990 575 V CA 0.389 62.714 62.300 0.043 0.000 1.116 575 V CB -0.995 30.832 31.823 0.006 0.000 0.977 575 V HN 0.731 nan 8.190 nan 0.000 0.470 576 R N 4.049 124.559 120.500 0.017 0.000 2.732 576 R HA 0.878 5.220 4.340 0.003 0.000 0.278 576 R C -0.462 175.779 176.300 -0.098 0.000 0.976 576 R CA -1.176 54.927 56.100 0.005 0.000 0.963 576 R CB 1.837 32.196 30.300 0.098 0.000 1.150 576 R HN 0.574 nan 8.270 nan 0.000 0.478 577 R N 1.704 122.109 120.500 -0.159 0.000 2.711 577 R HA 0.516 4.858 4.340 0.003 0.000 0.284 577 R C -2.660 173.366 176.300 -0.458 0.000 0.968 577 R CA -1.881 54.042 56.100 -0.295 0.000 0.924 577 R CB 2.028 32.209 30.300 -0.197 0.000 1.162 577 R HN 0.547 nan 8.270 nan 0.000 0.465 578 P HA 0.300 nan 4.420 nan 0.000 0.304 578 P C -1.233 175.943 177.300 -0.205 0.000 1.366 578 P CA -0.393 62.316 63.100 -0.652 0.000 0.859 578 P CB 1.471 32.627 31.700 -0.906 0.000 0.961 579 L N 3.183 124.382 121.223 -0.039 0.000 2.235 579 L HA 0.616 4.958 4.340 0.003 0.000 0.260 579 L C 0.475 177.433 176.870 0.146 0.000 1.025 579 L CA -1.539 53.346 54.840 0.075 0.000 0.836 579 L CB 1.238 43.356 42.059 0.100 0.000 1.395 579 L HN 0.177 nan 8.230 nan 0.000 0.443 580 I N 1.507 122.176 120.570 0.166 0.000 2.440 580 I HA 0.351 4.523 4.170 0.003 0.000 0.294 580 I C 0.054 176.276 176.117 0.174 0.000 0.995 580 I CA -0.226 61.158 61.300 0.141 0.000 1.306 580 I CB 1.606 39.679 38.000 0.123 0.000 1.407 580 I HN 0.360 nan 8.210 nan 0.000 0.501 581 I N 5.273 125.911 120.570 0.114 0.000 2.428 581 I HA 0.370 4.542 4.170 0.003 0.000 0.296 581 I C -0.437 175.676 176.117 -0.006 0.000 0.985 581 I CA -0.673 60.654 61.300 0.044 0.000 1.260 581 I CB 1.815 39.835 38.000 0.033 0.000 1.389 581 I HN 0.123 nan 8.210 nan 0.000 0.484 582 V N 4.811 124.681 119.914 -0.073 0.000 2.445 582 V HA 0.222 4.344 4.120 0.003 0.000 0.283 582 V C -0.107 175.954 176.094 -0.055 0.000 1.014 582 V CA -0.500 61.781 62.300 -0.031 0.000 0.852 582 V CB 1.478 33.316 31.823 0.024 0.000 1.021 582 V HN 0.870 nan 8.190 nan 0.000 0.435 583 S N 3.262 118.938 115.700 -0.041 0.000 2.608 583 S HA 0.532 5.004 4.470 0.003 0.000 0.291 583 S C 0.611 175.192 174.600 -0.031 0.000 1.146 583 S CA -0.509 57.667 58.200 -0.040 0.000 1.043 583 S CB 1.256 64.438 63.200 -0.029 0.000 1.037 583 S HN 0.711 nan 8.310 nan 0.000 0.520 584 N N 0.697 119.373 118.700 -0.040 0.000 2.681 584 N HA -0.173 4.569 4.740 0.003 0.000 0.250 584 N C 0.673 176.162 175.510 -0.034 0.000 1.133 584 N CA 1.509 54.536 53.050 -0.038 0.000 0.732 584 N CB -1.765 36.708 38.487 -0.025 0.000 1.107 584 N HN 1.868 nan 8.380 nan 0.000 0.559 585 G N -0.081 108.698 108.800 -0.035 0.000 2.392 585 G HA2 -0.283 3.679 3.960 0.003 0.000 0.290 585 G HA3 -0.283 3.679 3.960 0.003 0.000 0.290 585 G C -0.439 174.466 174.900 0.007 0.000 1.032 585 G CA 0.346 45.437 45.100 -0.016 0.000 1.269 585 G HN 0.589 nan 8.290 nan 0.000 0.511 586 N N 0.105 118.814 118.700 0.015 0.000 2.710 586 N HA 0.507 5.249 4.740 0.003 0.000 0.257 586 N C -2.571 172.958 175.510 0.032 0.000 1.327 586 N CA -0.934 52.131 53.050 0.024 0.000 0.861 586 N CB 2.634 41.130 38.487 0.015 0.000 1.532 586 N HN 0.150 nan 8.380 nan 0.000 0.499 587 P HA 0.560 nan 4.420 nan 0.000 0.307 587 P C -1.047 176.274 177.300 0.036 0.000 1.371 587 P CA -0.165 62.964 63.100 0.048 0.000 0.850 587 P CB 0.764 32.501 31.700 0.062 0.000 2.144 588 L N -2.214 119.033 121.223 0.040 0.000 2.795 588 L HA 0.341 4.683 4.340 0.003 0.000 0.260 588 L C -0.187 176.705 176.870 0.037 0.000 0.935 588 L CA -0.513 54.345 54.840 0.029 0.000 0.985 588 L CB 1.176 43.246 42.059 0.019 0.000 1.433 588 L HN -0.078 nan 8.230 nan 0.000 0.447 589 V N -0.066 119.868 119.914 0.034 0.000 4.232 589 V HA 0.135 4.257 4.120 0.003 0.000 0.187 589 V C 1.844 177.958 176.094 0.034 0.000 1.113 589 V CA 1.023 63.347 62.300 0.040 0.000 1.463 589 V CB 0.246 32.093 31.823 0.041 0.000 1.877 589 V HN 0.947 nan 8.190 nan 0.000 0.437 590 T N 1.423 115.995 114.554 0.030 0.000 2.850 590 T HA -0.393 3.959 4.350 0.003 0.000 0.232 590 T C 1.530 176.244 174.700 0.024 0.000 1.186 590 T CA 2.971 65.087 62.100 0.026 0.000 1.104 590 T CB -0.824 68.056 68.868 0.019 0.000 0.792 590 T HN 0.376 nan 8.240 nan 0.000 0.505 591 I N 1.325 121.907 120.570 0.020 0.000 2.103 591 I HA -0.243 3.929 4.170 0.003 0.000 0.241 591 I C 2.560 178.692 176.117 0.024 0.000 1.036 591 I CA 1.864 63.174 61.300 0.015 0.000 1.300 591 I CB -0.630 37.375 38.000 0.009 0.000 1.010 591 I HN 0.240 nan 8.210 nan 0.000 0.406 592 E N 0.756 120.977 120.200 0.034 0.000 2.086 592 E HA -0.271 4.081 4.350 0.003 0.000 0.200 592 E C 1.868 178.492 176.600 0.041 0.000 1.012 592 E CA 1.918 58.345 56.400 0.045 0.000 0.812 592 E CB -0.485 29.252 29.700 0.060 0.000 0.743 592 E HN 0.602 nan 8.360 nan 0.000 0.453 593 D N -0.002 120.420 120.400 0.038 0.000 2.218 593 D HA -0.142 4.500 4.640 0.003 0.000 0.204 593 D C 2.097 178.413 176.300 0.028 0.000 0.976 593 D CA 0.838 54.859 54.000 0.035 0.000 0.853 593 D CB -0.112 40.708 40.800 0.033 0.000 0.939 593 D HN 0.347 nan 8.370 nan 0.000 0.481 594 I N 0.923 121.506 120.570 0.023 0.000 2.277 594 I HA -0.147 4.025 4.170 0.003 0.000 0.243 594 I C 2.235 178.361 176.117 0.015 0.000 1.094 594 I CA 0.766 62.077 61.300 0.017 0.000 1.393 594 I CB -0.417 37.590 38.000 0.012 0.000 1.078 594 I HN -0.162 nan 8.210 nan 0.000 0.417 595 E N 1.867 122.077 120.200 0.016 0.000 2.077 595 E HA -0.204 4.148 4.350 0.003 0.000 0.193 595 E C 2.070 178.675 176.600 0.008 0.000 0.989 595 E CA 1.068 57.475 56.400 0.011 0.000 0.800 595 E CB -0.153 29.555 29.700 0.014 0.000 0.746 595 E HN 0.422 nan 8.360 nan 0.000 0.452 596 K N 0.318 120.728 120.400 0.017 0.000 2.173 596 K HA -0.126 4.196 4.320 0.003 0.000 0.207 596 K C 0.746 177.359 176.600 0.021 0.000 1.046 596 K CA 0.889 57.189 56.287 0.022 0.000 0.929 596 K CB -0.011 32.513 32.500 0.040 0.000 0.720 596 K HN 0.128 nan 8.250 nan 0.000 0.453 597 L N 1.281 122.515 121.223 0.019 0.000 2.678 597 L HA 0.199 4.541 4.340 0.003 0.000 0.250 597 L C -1.298 175.580 176.870 0.013 0.000 1.455 597 L CA -0.426 54.425 54.840 0.018 0.000 0.823 597 L CB 0.644 42.717 42.059 0.022 0.000 1.107 597 L HN 0.128 nan 8.230 nan 0.000 0.514 598 E N 0.898 121.103 120.200 0.008 0.000 7.490 598 E HA -0.153 4.199 4.350 0.003 0.000 0.427 598 E C -0.519 176.084 176.600 0.006 0.000 0.456 598 E CA 0.839 57.242 56.400 0.005 0.000 0.812 598 E CB -0.132 29.571 29.700 0.006 0.000 0.952 598 E HN 0.561 nan 8.360 nan 0.000 0.270 599 S N 1.288 116.991 115.700 0.004 0.000 2.634 599 S HA 0.772 5.244 4.470 0.003 0.000 0.296 599 S C 0.768 175.369 174.600 0.002 0.000 1.104 599 S CA -0.200 58.003 58.200 0.005 0.000 0.920 599 S CB 2.177 65.381 63.200 0.006 0.000 1.111 599 S HN 0.596 nan 8.310 nan 0.000 0.493 600 G N 0.033 108.834 108.800 0.002 0.000 2.719 600 G HA2 0.345 4.307 3.960 0.003 0.000 0.211 600 G HA3 0.345 4.307 3.960 0.003 0.000 0.211 600 G C 1.238 176.136 174.900 -0.003 0.000 1.140 600 G CA 0.344 45.443 45.100 -0.001 0.000 0.790 600 G HN 1.177 nan 8.290 nan 0.000 0.529 601 A N 0.398 123.217 122.820 -0.002 0.000 2.259 601 A HA 0.374 4.696 4.320 0.003 0.000 0.212 601 A C 1.156 178.736 177.584 -0.007 0.000 1.178 601 A CA 0.192 52.224 52.037 -0.007 0.000 0.734 601 A CB -0.504 18.494 19.000 -0.004 0.000 0.774 601 A HN 0.497 nan 8.150 nan 0.000 0.481 602 I N -1.905 118.663 120.570 -0.002 0.000 7.332 602 I HA -0.313 3.859 4.170 0.003 0.000 0.126 602 I C 0.962 177.086 176.117 0.012 0.000 1.526 602 I CA 0.881 62.182 61.300 0.001 0.000 2.393 602 I CB -1.334 36.664 38.000 -0.004 0.000 3.049 602 I HN 0.469 nan 8.210 nan 0.000 0.265 603 T N 0.503 115.069 114.554 0.020 0.000 2.724 603 T HA 0.031 4.383 4.350 0.003 0.000 0.324 603 T C 0.685 175.447 174.700 0.104 0.000 1.071 603 T CA 0.406 62.538 62.100 0.052 0.000 1.061 603 T CB 0.175 69.066 68.868 0.038 0.000 0.990 603 T HN 0.557 nan 8.240 nan 0.000 0.543 604 F N 1.516 121.455 119.950 -0.018 0.000 2.079 604 F HA -0.330 4.199 4.527 0.004 0.000 0.296 604 F C 2.081 177.901 175.800 0.034 0.000 1.084 604 F CA 2.455 60.471 58.000 0.028 0.000 1.236 604 F CB -0.728 38.320 39.000 0.079 0.000 0.984 604 F HN 0.649 nan 8.300 nan 0.000 0.488 605 D N -0.061 120.461 120.400 0.203 0.000 2.263 605 D HA -0.267 4.375 4.640 0.003 0.000 0.193 605 D C 1.664 177.948 176.300 -0.027 0.000 1.013 605 D CA 2.027 56.074 54.000 0.078 0.000 0.892 605 D CB -0.438 40.394 40.800 0.052 0.000 0.909 605 D HN 0.444 nan 8.370 nan 0.000 0.449 606 D N -0.630 119.745 120.400 -0.041 0.000 2.348 606 D HA 0.075 4.717 4.640 0.003 0.000 0.211 606 D C 2.126 178.368 176.300 -0.097 0.000 0.998 606 D CA -0.071 53.895 54.000 -0.057 0.000 0.873 606 D CB 0.104 40.883 40.800 -0.034 0.000 0.925 606 D HN 0.202 nan 8.370 nan 0.000 0.524 607 L N -0.289 120.830 121.223 -0.173 0.000 2.217 607 L HA -0.082 4.260 4.340 0.003 0.000 0.211 607 L C 2.087 178.828 176.870 -0.215 0.000 1.107 607 L CA 0.453 55.156 54.840 -0.228 0.000 0.783 607 L CB 0.100 41.913 42.059 -0.411 0.000 0.919 607 L HN -0.012 nan 8.230 nan 0.000 0.442 608 V N -0.935 118.847 119.914 -0.220 0.000 2.346 608 V HA -0.198 3.924 4.120 0.003 0.000 0.244 608 V C 2.498 178.547 176.094 -0.075 0.000 1.037 608 V CA 1.469 63.689 62.300 -0.134 0.000 1.029 608 V CB -0.725 31.020 31.823 -0.129 0.000 0.663 608 V HN 0.399 nan 8.190 nan 0.000 0.454 609 R N 0.292 120.748 120.500 -0.072 0.000 2.081 609 R HA -0.226 4.116 4.340 0.003 0.000 0.235 609 R C 2.459 178.739 176.300 -0.034 0.000 1.131 609 R CA 1.929 58.001 56.100 -0.047 0.000 0.960 609 R CB -0.333 29.941 30.300 -0.043 0.000 0.856 609 R HN 0.605 nan 8.270 nan 0.000 0.436 610 Q N -0.559 119.216 119.800 -0.042 0.000 2.443 610 Q HA -0.126 4.216 4.340 0.003 0.000 0.213 610 Q C 0.681 176.668 176.000 -0.021 0.000 0.982 610 Q CA 1.324 57.108 55.803 -0.031 0.000 0.894 610 Q CB -0.004 28.712 28.738 -0.037 0.000 0.947 610 Q HN 0.672 nan 8.270 nan 0.000 0.480 611 G N 0.025 108.813 108.800 -0.020 0.000 2.157 611 G HA2 -0.303 3.659 3.960 0.003 0.000 0.248 611 G HA3 -0.303 3.659 3.960 0.003 0.000 0.248 611 G C 0.642 175.545 174.900 0.004 0.000 0.979 611 G CA 0.500 45.601 45.100 0.001 0.000 0.650 611 G HN 0.397 nan 8.290 nan 0.000 0.529 612 K N -0.725 119.664 120.400 -0.019 0.000 2.243 612 K HA 0.354 4.676 4.320 0.003 0.000 0.201 612 K C 0.907 177.502 176.600 -0.007 0.000 1.051 612 K CA 0.714 56.991 56.287 -0.017 0.000 0.970 612 K CB 0.383 32.860 32.500 -0.038 0.000 0.755 612 K HN 0.487 nan 8.250 nan 0.000 0.465 613 I N 0.786 121.340 120.570 -0.027 0.000 2.533 613 I HA 0.179 4.351 4.170 0.003 0.000 0.290 613 I C -0.983 175.197 176.117 0.105 0.000 1.056 613 I CA -0.739 60.569 61.300 0.012 0.000 1.057 613 I CB 2.380 40.294 38.000 -0.144 0.000 1.240 613 I HN -0.024 nan 8.210 nan 0.000 0.423 614 E N 5.025 125.342 120.200 0.194 0.000 2.222 614 E HA 0.377 4.729 4.350 0.003 0.000 0.267 614 E C -1.767 175.010 176.600 0.295 0.000 0.884 614 E CA -0.674 55.872 56.400 0.242 0.000 0.764 614 E CB 1.722 31.567 29.700 0.241 0.000 1.169 614 E HN 0.356 nan 8.360 nan 0.000 0.413 615 Y N 3.403 123.733 120.300 0.051 0.000 2.404 615 Y HA 0.261 4.813 4.550 0.003 0.000 0.344 615 Y C -0.130 175.775 175.900 0.009 0.000 0.995 615 Y CA -0.411 57.711 58.100 0.035 0.000 1.201 615 Y CB 0.661 39.150 38.460 0.048 0.000 1.151 615 Y HN 0.414 nan 8.280 nan 0.000 0.517 616 L N 4.233 125.477 121.223 0.035 0.000 2.272 616 L HA 0.218 4.560 4.340 0.003 0.000 0.289 616 L C 1.126 178.004 176.870 0.014 0.000 1.032 616 L CA -0.476 54.361 54.840 -0.006 0.000 0.810 616 L CB 1.078 43.064 42.059 -0.121 0.000 1.205 616 L HN 0.603 nan 8.230 nan 0.000 0.422 617 D N 3.431 123.854 120.400 0.038 0.000 2.240 617 D HA -0.208 4.434 4.640 0.003 0.000 0.204 617 D C 1.099 177.413 176.300 0.024 0.000 1.018 617 D CA 2.381 56.404 54.000 0.039 0.000 0.887 617 D CB 0.478 41.301 40.800 0.040 0.000 1.087 617 D HN 0.671 nan 8.370 nan 0.000 0.464 618 A N -1.508 121.327 122.820 0.025 0.000 3.421 618 A HA -0.019 4.303 4.320 0.003 0.000 0.192 618 A C 1.646 179.280 177.584 0.083 0.000 1.395 618 A CA 1.036 53.089 52.037 0.026 0.000 1.256 618 A CB -1.301 17.675 19.000 -0.041 0.000 0.943 618 A HN 0.252 nan 8.150 nan 0.000 0.399 619 E N 0.817 121.068 120.200 0.086 0.000 2.209 619 E HA -0.180 4.172 4.350 0.003 0.000 0.196 619 E C 1.582 178.220 176.600 0.064 0.000 0.993 619 E CA 2.020 58.486 56.400 0.110 0.000 0.819 619 E CB -0.017 29.716 29.700 0.055 0.000 0.745 619 E HN 0.720 nan 8.360 nan 0.000 0.477 620 E N -0.460 119.763 120.200 0.039 0.000 2.201 620 E HA -0.067 4.285 4.350 0.003 0.000 0.193 620 E C 1.744 178.348 176.600 0.007 0.000 0.957 620 E CA 0.246 56.660 56.400 0.023 0.000 0.858 620 E CB -0.016 29.700 29.700 0.027 0.000 0.816 620 E HN 0.286 nan 8.360 nan 0.000 0.475 621 E N 0.763 120.958 120.200 -0.008 0.000 2.273 621 E HA -0.271 4.081 4.350 0.003 0.000 0.198 621 E C 1.656 178.224 176.600 -0.053 0.000 1.002 621 E CA 1.043 57.413 56.400 -0.050 0.000 0.828 621 E CB 0.119 29.813 29.700 -0.011 0.000 0.747 621 E HN 0.115 nan 8.360 nan 0.000 0.491 622 E N 0.876 121.074 120.200 -0.002 0.000 2.097 622 E HA -0.200 4.152 4.350 0.003 0.000 0.196 622 E C 1.464 178.011 176.600 -0.088 0.000 1.000 622 E CA 1.650 58.044 56.400 -0.010 0.000 0.804 622 E CB -0.041 29.689 29.700 0.051 0.000 0.740 622 E HN 0.242 nan 8.360 nan 0.000 0.454 623 N N -0.201 118.464 118.700 -0.058 0.000 2.463 623 N HA 0.080 4.822 4.740 0.003 0.000 0.181 623 N C -0.096 175.251 175.510 -0.272 0.000 1.078 623 N CA 0.752 53.750 53.050 -0.087 0.000 0.902 623 N CB 0.198 38.740 38.487 0.091 0.000 0.970 623 N HN 0.179 nan 8.380 nan 0.000 0.451 624 A N 0.161 122.852 122.820 -0.214 0.000 2.242 624 A HA 0.644 4.966 4.320 0.003 0.000 0.304 624 A C -0.994 176.337 177.584 -0.422 0.000 1.100 624 A CA -0.268 51.687 52.037 -0.137 0.000 0.860 624 A CB 0.426 19.520 19.000 0.158 0.000 1.168 624 A HN 0.116 nan 8.150 nan 0.000 0.503 625 Y N -1.878 118.531 120.300 0.181 0.000 2.581 625 Y HA 0.589 5.141 4.550 0.004 0.000 0.345 625 Y C -0.165 175.772 175.900 0.062 0.000 1.036 625 Y CA -1.218 56.944 58.100 0.105 0.000 1.042 625 Y CB 1.812 40.422 38.460 0.250 0.000 1.289 625 Y HN 0.722 nan 8.280 nan 0.000 0.471 626 V N -1.414 118.495 119.914 -0.008 0.000 2.932 626 V HA 0.993 5.115 4.120 0.003 0.000 0.307 626 V C -0.967 174.906 176.094 -0.368 0.000 1.147 626 V CA -1.401 60.830 62.300 -0.115 0.000 0.951 626 V CB 1.464 33.252 31.823 -0.057 0.000 1.031 626 V HN 1.127 nan 8.190 nan 0.000 0.426 627 A N 4.246 126.887 122.820 -0.297 0.000 2.258 627 A HA 0.730 5.052 4.320 0.003 0.000 0.316 627 A C 0.986 178.519 177.584 -0.085 0.000 1.279 627 A CA -0.544 51.335 52.037 -0.264 0.000 0.876 627 A CB 0.726 19.631 19.000 -0.158 0.000 1.170 627 A HN 1.614 nan 8.150 nan 0.000 0.520 628 L N 0.139 121.311 121.223 -0.086 0.000 2.026 628 L HA -0.199 4.143 4.340 0.003 0.000 0.231 628 L C 0.549 177.397 176.870 -0.037 0.000 1.095 628 L CA 1.345 56.152 54.840 -0.056 0.000 0.810 628 L CB -0.926 41.078 42.059 -0.091 0.000 0.909 628 L HN 0.474 nan 8.230 nan 0.000 0.444 629 E N -0.254 119.943 120.200 -0.005 0.000 2.249 629 E HA 0.290 4.642 4.350 0.003 0.000 0.263 629 E C -1.800 174.849 176.600 0.081 0.000 0.950 629 E CA -2.446 53.985 56.400 0.051 0.000 0.827 629 E CB 0.751 30.523 29.700 0.121 0.000 1.220 629 E HN -0.009 nan 8.360 nan 0.000 0.411 630 P HA -0.158 nan 4.420 nan 0.000 0.222 630 P C 0.922 178.280 177.300 0.097 0.000 1.147 630 P CA 1.004 64.166 63.100 0.102 0.000 0.790 630 P CB 0.513 32.278 31.700 0.108 0.000 0.780 631 N N 1.513 120.274 118.700 0.102 0.000 2.120 631 N HA -0.138 4.604 4.740 0.003 0.000 0.188 631 N C 1.046 176.606 175.510 0.084 0.000 1.024 631 N CA 1.682 54.786 53.050 0.091 0.000 0.852 631 N CB -0.436 38.109 38.487 0.097 0.000 1.003 631 N HN 0.200 nan 8.380 nan 0.000 0.424 632 D N 0.270 120.725 120.400 0.091 0.000 2.358 632 D HA -0.066 4.576 4.640 0.003 0.000 0.224 632 D C 1.929 178.311 176.300 0.136 0.000 1.123 632 D CA -0.291 53.766 54.000 0.095 0.000 0.833 632 D CB -0.249 40.602 40.800 0.085 0.000 0.946 632 D HN 0.210 nan 8.370 nan 0.000 0.505 633 L N 1.666 122.968 121.223 0.132 0.000 2.131 633 L HA -0.158 4.184 4.340 0.003 0.000 0.210 633 L C 1.717 178.676 176.870 0.149 0.000 1.092 633 L CA 1.805 56.758 54.840 0.188 0.000 0.759 633 L CB -1.178 40.958 42.059 0.129 0.000 0.903 633 L HN 0.000 nan 8.230 nan 0.000 0.435 634 T N -0.540 114.062 114.554 0.080 0.000 2.759 634 T HA -0.298 4.054 4.350 0.003 0.000 0.247 634 T C -0.398 174.278 174.700 -0.040 0.000 1.131 634 T CA 1.948 64.062 62.100 0.024 0.000 1.135 634 T CB -2.492 66.389 68.868 0.022 0.000 0.825 634 T HN 0.402 nan 8.240 nan 0.000 0.483 635 P HA 0.046 nan 4.420 nan 0.000 0.296 635 P C -0.119 176.981 177.300 -0.332 0.000 1.407 635 P CA 0.722 63.646 63.100 -0.293 0.000 0.793 635 P CB 0.085 31.445 31.700 -0.568 0.000 1.675 636 D N -1.514 118.567 120.400 -0.531 0.000 2.513 636 D HA 0.111 4.753 4.640 0.003 0.000 0.295 636 D C -0.697 175.319 176.300 -0.474 0.000 1.202 636 D CA -0.280 53.490 54.000 -0.384 0.000 0.849 636 D CB -0.450 40.168 40.800 -0.304 0.000 1.116 636 D HN 0.327 nan 8.370 nan 0.000 0.502 637 H N 0.960 119.964 119.070 -0.109 0.000 2.556 637 H HA 0.208 4.766 4.556 0.004 0.000 0.310 637 H C 1.092 176.436 175.328 0.026 0.000 1.057 637 H CA -0.342 55.697 56.048 -0.015 0.000 1.264 637 H CB 1.693 31.493 29.762 0.062 0.000 1.404 637 H HN 0.116 nan 8.280 nan 0.000 0.462 638 T N 1.956 116.630 114.554 0.201 0.000 2.946 638 T HA -0.070 4.282 4.350 0.003 0.000 0.271 638 T C 0.570 174.975 174.700 -0.492 0.000 1.104 638 T CA 1.159 63.190 62.100 -0.115 0.000 1.114 638 T CB -0.104 68.708 68.868 -0.093 0.000 0.867 638 T HN 0.574 nan 8.240 nan 0.000 0.513 639 H N -1.140 118.046 119.070 0.193 0.000 2.961 639 H HA 0.551 5.109 4.556 0.004 0.000 0.371 639 H C -0.461 174.941 175.328 0.123 0.000 1.190 639 H CA -0.884 55.247 56.048 0.139 0.000 1.138 639 H CB 2.125 31.960 29.762 0.122 0.000 1.816 639 H HN 0.043 nan 8.280 nan 0.000 0.551 640 L N 0.396 121.749 121.223 0.217 0.000 2.693 640 L HA 0.442 4.784 4.340 0.003 0.000 0.253 640 L C -0.418 176.547 176.870 0.157 0.000 1.155 640 L CA -0.702 54.230 54.840 0.152 0.000 1.026 640 L CB 1.432 43.569 42.059 0.129 0.000 1.817 640 L HN 0.533 nan 8.230 nan 0.000 0.556 641 E N 0.667 120.948 120.200 0.135 0.000 2.224 641 E HA 0.261 4.613 4.350 0.003 0.000 0.265 641 E C 0.608 177.296 176.600 0.146 0.000 0.878 641 E CA -0.294 56.193 56.400 0.146 0.000 0.759 641 E CB 2.339 32.122 29.700 0.138 0.000 1.164 641 E HN 0.506 nan 8.360 nan 0.000 0.414 642 I N 0.668 121.327 120.570 0.148 0.000 2.110 642 I HA -0.081 4.091 4.170 0.003 0.000 0.236 642 I C 0.489 176.793 176.117 0.311 0.000 1.068 642 I CA 1.266 62.679 61.300 0.190 0.000 1.333 642 I CB 0.116 38.196 38.000 0.133 0.000 1.054 642 I HN 0.364 nan 8.210 nan 0.000 0.402 643 W N 0.377 121.691 121.300 0.024 0.000 2.900 643 W HA 0.319 4.981 4.660 0.003 0.000 0.336 643 W C 0.998 177.499 176.519 -0.030 0.000 1.064 643 W CA -0.703 56.669 57.345 0.046 0.000 1.237 643 W CB 1.563 31.098 29.460 0.125 0.000 1.391 643 W HN -0.144 nan 8.180 nan 0.000 0.468 644 S N 3.922 119.487 115.700 -0.226 0.000 2.371 644 S HA -0.061 4.411 4.470 0.003 0.000 0.224 644 S C -1.317 173.063 174.600 -0.366 0.000 1.029 644 S CA 0.968 58.999 58.200 -0.282 0.000 0.978 644 S CB -0.953 61.998 63.200 -0.415 0.000 0.833 644 S HN 0.389 nan 8.310 nan 0.000 0.466 645 P HA 0.231 nan 4.420 nan 0.000 0.263 645 P C -0.038 177.181 177.300 -0.135 0.000 1.386 645 P CA 0.362 63.117 63.100 -0.575 0.000 0.797 645 P CB -0.238 30.754 31.700 -1.179 0.000 1.381 646 A N -0.446 122.371 122.820 -0.005 0.000 2.640 646 A HA 0.234 4.556 4.320 0.003 0.000 0.282 646 A C 1.120 178.592 177.584 -0.188 0.000 1.357 646 A CA -0.005 52.092 52.037 0.100 0.000 0.946 646 A CB -0.902 18.183 19.000 0.143 0.000 1.065 646 A HN 0.193 nan 8.150 nan 0.000 0.541 647 I N -1.051 119.358 120.570 -0.267 0.000 4.139 647 I HA 0.194 4.366 4.170 0.003 0.000 0.335 647 I C 0.039 175.984 176.117 -0.287 0.000 1.327 647 I CA 0.181 61.238 61.300 -0.406 0.000 1.112 647 I CB 0.191 37.901 38.000 -0.484 0.000 1.058 647 I HN 0.191 nan 8.210 nan 0.000 0.396 648 L N 1.115 122.231 121.223 -0.178 0.000 2.357 648 L HA 0.507 4.849 4.340 0.003 0.000 0.273 648 L C 0.982 177.811 176.870 -0.069 0.000 1.080 648 L CA -0.510 54.255 54.840 -0.125 0.000 0.803 648 L CB 1.191 43.214 42.059 -0.061 0.000 1.174 648 L HN 0.043 nan 8.230 nan 0.000 0.443 649 G N 1.402 110.166 108.800 -0.061 0.000 2.611 649 G HA2 0.179 4.141 3.960 0.003 0.000 0.273 649 G HA3 0.179 4.141 3.960 0.003 0.000 0.273 649 G C 1.082 175.962 174.900 -0.033 0.000 1.305 649 G CA -0.501 44.573 45.100 -0.043 0.000 1.010 649 G HN 0.633 nan 8.290 nan 0.000 0.509 650 I N -1.795 118.747 120.570 -0.046 0.000 2.353 650 I HA -0.068 4.105 4.170 0.003 0.000 0.248 650 I C 2.089 178.161 176.117 -0.073 0.000 1.119 650 I CA 1.714 62.973 61.300 -0.067 0.000 1.417 650 I CB -2.191 35.756 38.000 -0.089 0.000 1.078 650 I HN 0.347 nan 8.210 nan 0.000 0.421 651 T N 2.620 117.141 114.554 -0.055 0.000 2.643 651 T HA -0.000 4.352 4.350 0.003 0.000 0.264 651 T C 2.097 176.758 174.700 -0.066 0.000 1.045 651 T CA 2.052 64.116 62.100 -0.059 0.000 1.155 651 T CB -0.617 68.236 68.868 -0.025 0.000 0.863 651 T HN 0.540 nan 8.240 nan 0.000 0.420 652 A N 1.232 124.049 122.820 -0.005 0.000 2.285 652 A HA -0.066 4.256 4.320 0.003 0.000 0.214 652 A C 2.400 179.977 177.584 -0.012 0.000 1.188 652 A CA 1.440 53.507 52.037 0.050 0.000 0.707 652 A CB -0.738 18.375 19.000 0.188 0.000 0.771 652 A HN 0.431 nan 8.150 nan 0.000 0.488 653 S N -0.514 115.144 115.700 -0.070 0.000 2.421 653 S HA -0.006 4.466 4.470 0.003 0.000 0.224 653 S C 1.464 175.951 174.600 -0.189 0.000 1.035 653 S CA 0.775 58.920 58.200 -0.092 0.000 0.953 653 S CB -0.324 62.840 63.200 -0.059 0.000 0.810 653 S HN 0.491 nan 8.310 nan 0.000 0.497 654 I N 2.302 122.706 120.570 -0.277 0.000 2.730 654 I HA -0.139 4.033 4.170 0.003 0.000 0.266 654 I C 0.421 176.313 176.117 -0.375 0.000 1.228 654 I CA 0.890 61.937 61.300 -0.420 0.000 1.445 654 I CB -0.945 36.714 38.000 -0.568 0.000 1.102 654 I HN 0.254 nan 8.210 nan 0.000 0.464 655 I N 3.154 123.540 120.570 -0.307 0.000 2.352 655 I HA 0.220 4.392 4.170 0.003 0.000 0.290 655 I C -2.195 173.718 176.117 -0.340 0.000 1.036 655 I CA -1.843 59.240 61.300 -0.361 0.000 1.336 655 I CB 0.236 38.047 38.000 -0.314 0.000 1.407 655 I HN -0.129 nan 8.210 nan 0.000 0.497 656 P HA 0.156 nan 4.420 nan 0.000 0.292 656 P C -0.847 176.227 177.300 -0.377 0.000 1.287 656 P CA -0.189 62.583 63.100 -0.546 0.000 0.800 656 P CB 0.503 31.858 31.700 -0.574 0.000 0.945 657 Y N 1.746 121.932 120.300 -0.191 0.000 4.079 657 Y HA -0.206 4.346 4.550 0.004 0.000 0.223 657 Y C -0.803 175.103 175.900 0.011 0.000 1.155 657 Y CA 0.053 58.032 58.100 -0.202 0.000 1.805 657 Y CB -2.985 35.160 38.460 -0.524 0.000 1.571 657 Y HN 0.400 nan 8.280 nan 0.000 0.654 658 P HA -0.253 nan 4.420 nan 0.000 0.218 658 P C 0.463 177.869 177.300 0.176 0.000 1.150 658 P CA 2.309 65.458 63.100 0.082 0.000 0.841 658 P CB -0.001 31.715 31.700 0.026 0.000 0.784 659 E N -0.664 119.690 120.200 0.256 0.000 2.506 659 E HA -0.073 4.279 4.350 0.003 0.000 0.210 659 E C 0.877 177.621 176.600 0.239 0.000 1.325 659 E CA 0.450 56.996 56.400 0.244 0.000 1.273 659 E CB -1.141 28.705 29.700 0.242 0.000 1.276 659 E HN 0.565 nan 8.360 nan 0.000 0.442 660 H N -1.263 117.851 119.070 0.074 0.000 3.726 660 H HA 0.208 4.767 4.556 0.003 0.000 0.262 660 H C -0.290 175.051 175.328 0.022 0.000 1.181 660 H CA -0.396 55.680 56.048 0.047 0.000 1.143 660 H CB 0.627 30.418 29.762 0.049 0.000 1.627 660 H HN 0.171 nan 8.280 nan 0.000 0.750 661 N N 1.198 119.970 118.700 0.119 0.000 2.402 661 N HA 0.158 4.900 4.740 0.003 0.000 0.294 661 N C -0.526 174.968 175.510 -0.028 0.000 1.203 661 N CA -0.638 52.434 53.050 0.035 0.000 0.838 661 N CB 2.235 40.741 38.487 0.031 0.000 1.306 661 N HN 0.072 nan 8.380 nan 0.000 0.510 662 Q N 1.025 120.790 119.800 -0.060 0.000 2.313 662 Q HA 0.051 4.393 4.340 0.003 0.000 0.266 662 Q C 1.009 176.918 176.000 -0.151 0.000 0.989 662 Q CA -0.033 55.720 55.803 -0.084 0.000 0.890 662 Q CB 0.980 29.666 28.738 -0.087 0.000 1.200 662 Q HN 0.704 nan 8.270 nan 0.000 0.396 663 S N 4.623 120.260 115.700 -0.106 0.000 2.402 663 S HA -0.253 4.220 4.470 0.003 0.000 0.281 663 S C -0.977 173.450 174.600 -0.288 0.000 1.097 663 S CA 2.306 60.434 58.200 -0.120 0.000 1.368 663 S CB -1.246 61.959 63.200 0.008 0.000 1.255 663 S HN 0.894 nan 8.310 nan 0.000 0.450 664 P HA -0.171 nan 4.420 nan 0.000 0.219 664 P C 1.489 178.350 177.300 -0.733 0.000 1.158 664 P CA 1.852 64.635 63.100 -0.528 0.000 0.895 664 P CB -0.202 31.129 31.700 -0.615 0.000 0.792 665 R N -1.090 119.076 120.500 -0.557 0.000 2.170 665 R HA -0.092 4.250 4.340 0.003 0.000 0.242 665 R C 1.763 177.891 176.300 -0.287 0.000 1.145 665 R CA 1.012 56.891 56.100 -0.368 0.000 0.984 665 R CB -1.460 28.727 30.300 -0.189 0.000 0.869 665 R HN 0.387 nan 8.270 nan 0.000 0.455 666 N N -0.365 118.060 118.700 -0.458 0.000 2.251 666 N HA -0.061 4.681 4.740 0.003 0.000 0.181 666 N C 1.619 176.885 175.510 -0.406 0.000 1.019 666 N CA 1.211 53.897 53.050 -0.608 0.000 0.862 666 N CB -0.266 37.378 38.487 -1.404 0.000 0.992 666 N HN 0.091 nan 8.380 nan 0.000 0.429 667 T N 1.367 115.721 114.554 -0.333 0.000 2.652 667 T HA -0.136 4.216 4.350 0.003 0.000 0.267 667 T C 1.627 176.420 174.700 0.155 0.000 1.039 667 T CA 1.146 63.251 62.100 0.008 0.000 1.153 667 T CB -0.320 68.598 68.868 0.084 0.000 0.863 667 T HN 0.171 nan 8.240 nan 0.000 0.428 668 Y N 1.715 121.974 120.300 -0.068 0.000 2.114 668 Y HA -0.160 4.392 4.550 0.004 0.000 0.282 668 Y C 2.698 178.572 175.900 -0.044 0.000 1.165 668 Y CA 1.018 59.095 58.100 -0.039 0.000 1.148 668 Y CB -1.435 37.006 38.460 -0.032 0.000 0.972 668 Y HN 0.265 nan 8.280 nan 0.000 0.504 669 Q N 0.645 120.502 119.800 0.096 0.000 2.045 669 Q HA -0.155 4.187 4.340 0.003 0.000 0.206 669 Q C 1.769 177.768 176.000 -0.002 0.000 0.991 669 Q CA 2.457 58.265 55.803 0.008 0.000 0.851 669 Q CB -0.800 27.885 28.738 -0.089 0.000 0.911 669 Q HN 0.245 nan 8.270 nan 0.000 0.418 670 S N -0.265 115.434 115.700 -0.001 0.000 2.894 670 S HA 0.222 4.694 4.470 0.003 0.000 0.231 670 S C 0.825 175.439 174.600 0.024 0.000 0.971 670 S CA 0.420 58.627 58.200 0.012 0.000 1.005 670 S CB -0.320 62.912 63.200 0.053 0.000 0.799 670 S HN 0.554 nan 8.310 nan 0.000 0.527 671 A N 0.280 123.116 122.820 0.027 0.000 1.933 671 A HA 0.412 4.734 4.320 0.003 0.000 0.198 671 A C 1.659 179.244 177.584 0.002 0.000 1.617 671 A CA -0.094 51.954 52.037 0.017 0.000 1.039 671 A CB -0.249 18.767 19.000 0.026 0.000 1.066 671 A HN 0.423 nan 8.150 nan 0.000 0.484 672 M N 0.196 119.805 119.600 0.016 0.000 2.254 672 M HA 0.049 4.531 4.480 0.003 0.000 0.265 672 M C 2.242 178.539 176.300 -0.005 0.000 1.066 672 M CA 1.215 56.524 55.300 0.015 0.000 1.123 672 M CB -0.091 32.534 32.600 0.041 0.000 1.388 672 M HN 0.485 nan 8.290 nan 0.000 0.425 673 A N 0.314 123.135 122.820 0.001 0.000 1.948 673 A HA -0.212 4.110 4.320 0.003 0.000 0.220 673 A C 1.961 179.548 177.584 0.005 0.000 1.177 673 A CA 1.814 53.859 52.037 0.014 0.000 0.636 673 A CB -0.512 18.476 19.000 -0.020 0.000 0.815 673 A HN 0.445 nan 8.150 nan 0.000 0.449 674 K N -0.758 119.619 120.400 -0.038 0.000 2.487 674 K HA 0.064 4.386 4.320 0.003 0.000 0.192 674 K C 1.458 177.954 176.600 -0.174 0.000 1.027 674 K CA 0.657 56.896 56.287 -0.080 0.000 1.054 674 K CB 0.138 32.590 32.500 -0.079 0.000 0.824 674 K HN 0.597 nan 8.250 nan 0.000 0.510 675 Q N -0.274 119.416 119.800 -0.184 0.000 2.217 675 Q HA 0.260 4.602 4.340 0.003 0.000 0.217 675 Q C -0.031 175.792 176.000 -0.294 0.000 0.844 675 Q CA -0.390 55.192 55.803 -0.368 0.000 0.957 675 Q CB 1.047 29.647 28.738 -0.230 0.000 1.127 675 Q HN 0.221 nan 8.270 nan 0.000 0.503 676 A N 0.862 123.600 122.820 -0.136 0.000 2.409 676 A HA 0.283 4.605 4.320 0.003 0.000 0.246 676 A C -0.331 177.176 177.584 -0.127 0.000 1.099 676 A CA 0.218 52.215 52.037 -0.067 0.000 0.789 676 A CB 0.298 19.343 19.000 0.075 0.000 1.053 676 A HN 0.317 nan 8.150 nan 0.000 0.503 677 L N 0.574 121.748 121.223 -0.082 0.000 2.362 677 L HA 0.678 5.020 4.340 0.003 0.000 0.275 677 L C 0.658 177.524 176.870 -0.006 0.000 0.998 677 L CA 0.041 54.832 54.840 -0.080 0.000 0.820 677 L CB 1.769 43.771 42.059 -0.095 0.000 1.270 677 L HN 1.041 nan 8.230 nan 0.000 0.415 678 G N 2.335 111.135 108.800 -0.001 0.000 2.619 678 G HA2 0.309 4.271 3.960 0.003 0.000 0.146 678 G HA3 0.309 4.271 3.960 0.003 0.000 0.146 678 G C -2.041 172.833 174.900 -0.044 0.000 1.192 678 G CA -0.528 44.558 45.100 -0.023 0.000 1.063 678 G HN 0.316 nan 8.290 nan 0.000 0.538 679 L N 0.783 121.947 121.223 -0.097 0.000 2.343 679 L HA 0.700 5.042 4.340 0.003 0.000 0.275 679 L C 0.541 177.379 176.870 -0.052 0.000 1.056 679 L CA -0.574 54.170 54.840 -0.160 0.000 0.804 679 L CB 1.626 43.553 42.059 -0.220 0.000 1.203 679 L HN 0.762 nan 8.230 nan 0.000 0.440 680 Y N 2.849 123.060 120.300 -0.149 0.000 2.432 680 Y HA 0.842 5.394 4.550 0.003 0.000 0.252 680 Y C -0.170 175.739 175.900 0.015 0.000 1.097 680 Y CA -0.133 57.946 58.100 -0.035 0.000 1.250 680 Y CB 0.059 38.493 38.460 -0.042 0.000 1.245 680 Y HN 0.655 nan 8.280 nan 0.000 0.522 681 A N 0.491 123.144 122.820 -0.279 0.000 2.572 681 A HA 0.649 4.971 4.320 0.003 0.000 0.303 681 A C 0.534 178.001 177.584 -0.195 0.000 1.059 681 A CA -0.380 51.542 52.037 -0.192 0.000 0.788 681 A CB 0.037 18.956 19.000 -0.135 0.000 1.282 681 A HN 0.692 nan 8.150 nan 0.000 0.397 682 A N 1.768 124.491 122.820 -0.161 0.000 2.234 682 A HA -0.097 4.225 4.320 0.003 0.000 0.216 682 A C 1.246 178.733 177.584 -0.162 0.000 1.167 682 A CA 1.856 53.810 52.037 -0.138 0.000 0.698 682 A CB -0.604 18.315 19.000 -0.136 0.000 0.779 682 A HN 1.211 nan 8.150 nan 0.000 0.475 683 N N -1.308 117.281 118.700 -0.185 0.000 2.184 683 N HA -0.060 4.682 4.740 0.003 0.000 0.206 683 N C 1.179 176.479 175.510 -0.350 0.000 1.151 683 N CA 0.463 53.371 53.050 -0.238 0.000 0.878 683 N CB -0.748 37.651 38.487 -0.147 0.000 1.014 683 N HN 0.614 nan 8.380 nan 0.000 0.512 684 Y N 0.945 120.990 120.300 -0.426 0.000 2.387 684 Y HA -0.257 4.295 4.550 0.004 0.000 0.280 684 Y C 2.149 177.822 175.900 -0.378 0.000 1.196 684 Y CA 1.287 59.039 58.100 -0.579 0.000 1.322 684 Y CB -0.638 37.225 38.460 -0.995 0.000 0.970 684 Y HN 0.003 nan 8.280 nan 0.000 0.564 685 Q N 0.961 120.163 119.800 -0.995 0.000 1.942 685 Q HA -0.078 4.264 4.340 0.003 0.000 0.203 685 Q C 1.784 177.595 176.000 -0.315 0.000 0.987 685 Q CA 2.392 57.771 55.803 -0.706 0.000 0.844 685 Q CB -0.432 27.954 28.738 -0.586 0.000 0.911 685 Q HN 0.591 nan 8.270 nan 0.000 0.423 686 L N 0.418 121.498 121.223 -0.238 0.000 2.551 686 L HA 0.043 4.385 4.340 0.003 0.000 0.228 686 L C 0.528 177.343 176.870 -0.091 0.000 1.153 686 L CA 0.586 55.349 54.840 -0.128 0.000 0.851 686 L CB -0.681 41.318 42.059 -0.100 0.000 0.959 686 L HN -0.055 nan 8.230 nan 0.000 0.451 687 R N 0.630 121.061 120.500 -0.115 0.000 2.537 687 R HA 0.126 4.468 4.340 0.003 0.000 0.280 687 R C 0.461 176.752 176.300 -0.014 0.000 1.058 687 R CA 0.251 56.324 56.100 -0.045 0.000 1.057 687 R CB 0.304 30.592 30.300 -0.021 0.000 0.973 687 R HN -0.025 nan 8.270 nan 0.000 0.438 688 T N 3.300 117.860 114.554 0.009 0.000 3.378 688 T HA 0.219 4.571 4.350 0.003 0.000 0.359 688 T C -0.945 173.765 174.700 0.016 0.000 1.815 688 T CA -0.727 61.384 62.100 0.019 0.000 1.509 688 T CB -0.255 68.626 68.868 0.023 0.000 1.049 688 T HN 0.347 nan 8.240 nan 0.000 0.705 689 D N 1.569 121.975 120.400 0.010 0.000 2.392 689 D HA 0.485 5.127 4.640 0.003 0.000 0.246 689 D C 0.120 176.387 176.300 -0.055 0.000 1.013 689 D CA -0.365 53.621 54.000 -0.023 0.000 0.993 689 D CB 1.453 42.234 40.800 -0.032 0.000 1.219 689 D HN 0.275 nan 8.370 nan 0.000 0.538 690 T N 0.023 114.527 114.554 -0.084 0.000 2.922 690 T HA 0.366 4.718 4.350 0.003 0.000 0.285 690 T C -0.316 174.284 174.700 -0.167 0.000 1.005 690 T CA -0.847 61.192 62.100 -0.102 0.000 1.061 690 T CB 0.378 69.201 68.868 -0.075 0.000 1.007 690 T HN 0.407 nan 8.240 nan 0.000 0.502 691 R N -0.008 120.359 120.500 -0.222 0.000 2.176 691 R HA 0.027 4.369 4.340 0.003 0.000 0.280 691 R C -0.279 175.715 176.300 -0.509 0.000 1.067 691 R CA 0.298 56.115 56.100 -0.473 0.000 1.019 691 R CB -1.817 28.484 30.300 0.001 0.000 2.754 691 R HN 0.753 nan 8.270 nan 0.000 0.519 692 A N 2.575 124.985 122.820 -0.683 0.000 2.475 692 A HA 0.845 5.167 4.320 0.003 0.000 0.281 692 A C -0.929 176.389 177.584 -0.443 0.000 1.263 692 A CA -0.783 50.992 52.037 -0.436 0.000 0.776 692 A CB 1.497 20.321 19.000 -0.295 0.000 1.347 692 A HN 0.653 nan 8.150 nan 0.000 0.443 693 H N -0.763 118.308 119.070 0.002 0.000 2.980 693 H HA 0.604 5.162 4.556 0.004 0.000 0.367 693 H C -1.840 173.584 175.328 0.160 0.000 1.206 693 H CA -0.578 55.569 56.048 0.165 0.000 1.126 693 H CB 2.007 31.808 29.762 0.066 0.000 1.838 693 H HN 0.507 nan 8.280 nan 0.000 0.552 694 L N 3.146 124.561 121.223 0.320 0.000 2.505 694 L HA 0.224 4.566 4.340 0.003 0.000 0.266 694 L C -1.625 175.305 176.870 0.101 0.000 0.954 694 L CA -0.743 54.139 54.840 0.070 0.000 0.852 694 L CB 1.888 43.901 42.059 -0.077 0.000 1.282 694 L HN 0.446 nan 8.230 nan 0.000 0.403 695 L N 5.130 126.370 121.223 0.030 0.000 2.261 695 L HA 0.364 4.706 4.340 0.003 0.000 0.289 695 L C 1.288 178.195 176.870 0.063 0.000 1.059 695 L CA 0.381 55.241 54.840 0.033 0.000 0.816 695 L CB 0.447 42.515 42.059 0.015 0.000 1.191 695 L HN 0.677 nan 8.230 nan 0.000 0.431 696 H N 4.454 123.507 119.070 -0.029 0.000 2.431 696 H HA -0.180 4.378 4.556 0.003 0.000 0.297 696 H C -0.434 174.577 175.328 -0.528 0.000 1.115 696 H CA 1.693 57.628 56.048 -0.189 0.000 1.277 696 H CB 0.030 29.800 29.762 0.013 0.000 1.372 696 H HN 0.532 nan 8.280 nan 0.000 0.516 697 Y N -0.578 119.769 120.300 0.078 0.000 2.475 697 Y HA 0.281 4.833 4.550 0.004 0.000 0.343 697 Y C -2.412 173.449 175.900 -0.065 0.000 1.068 697 Y CA -2.413 55.683 58.100 -0.005 0.000 1.307 697 Y CB 1.253 39.700 38.460 -0.021 0.000 1.097 697 Y HN -0.034 nan 8.280 nan 0.000 0.530 698 P HA 0.298 nan 4.420 nan 0.000 0.275 698 P C -0.898 176.410 177.300 0.013 0.000 1.266 698 P CA -0.401 62.693 63.100 -0.010 0.000 0.793 698 P CB 0.814 32.484 31.700 -0.050 0.000 1.074 699 Q N -0.167 119.654 119.800 0.036 0.000 2.295 699 Q HA 0.269 4.611 4.340 0.003 0.000 0.268 699 Q C -0.810 175.290 176.000 0.168 0.000 1.010 699 Q CA -0.843 55.009 55.803 0.082 0.000 0.856 699 Q CB 2.526 31.301 28.738 0.061 0.000 1.349 699 Q HN 0.298 nan 8.270 nan 0.000 0.412 700 R N 3.816 124.383 120.500 0.111 0.000 2.480 700 R HA 0.059 4.401 4.340 0.003 0.000 0.303 700 R C -1.966 174.441 176.300 0.179 0.000 0.985 700 R CA -0.667 55.498 56.100 0.108 0.000 1.051 700 R CB 0.361 30.697 30.300 0.060 0.000 0.935 700 R HN 0.242 nan 8.270 nan 0.000 0.410 701 P HA -0.095 nan 4.420 nan 0.000 0.258 701 P C -0.402 176.926 177.300 0.047 0.000 1.214 701 P CA 0.367 63.502 63.100 0.057 0.000 0.872 701 P CB 0.356 31.823 31.700 -0.387 0.000 0.890 702 L N 5.022 126.333 121.223 0.145 0.000 2.485 702 L HA -0.009 4.333 4.340 0.003 0.000 0.275 702 L C 0.590 177.491 176.870 0.052 0.000 1.207 702 L CA 0.187 55.074 54.840 0.079 0.000 0.855 702 L CB 0.347 42.458 42.059 0.087 0.000 1.114 702 L HN 0.196 nan 8.230 nan 0.000 0.485 703 V N 3.166 123.094 119.914 0.023 0.000 5.673 703 V HA -0.253 3.869 4.120 0.003 0.000 0.301 703 V C 0.218 176.262 176.094 -0.083 0.000 0.635 703 V CA 1.071 63.377 62.300 0.009 0.000 1.074 703 V CB -1.900 29.970 31.823 0.078 0.000 1.240 703 V HN 0.947 nan 8.190 nan 0.000 0.467 704 Q N 1.687 121.424 119.800 -0.105 0.000 2.527 704 Q HA 0.832 5.174 4.340 0.003 0.000 0.220 704 Q C 0.225 176.107 176.000 -0.195 0.000 1.014 704 Q CA -0.411 55.296 55.803 -0.160 0.000 0.978 704 Q CB 1.594 30.275 28.738 -0.096 0.000 1.245 704 Q HN 0.429 nan 8.270 nan 0.000 0.513 705 T N -0.840 113.602 114.554 -0.187 0.000 2.946 705 T HA 0.286 4.639 4.350 0.003 0.000 0.295 705 T C 0.666 175.303 174.700 -0.106 0.000 1.143 705 T CA -0.525 61.472 62.100 -0.170 0.000 0.944 705 T CB 0.630 69.404 68.868 -0.157 0.000 1.800 705 T HN 0.652 nan 8.240 nan 0.000 0.590 706 R N -0.886 119.574 120.500 -0.068 0.000 2.310 706 R HA 0.405 4.747 4.340 0.003 0.000 0.199 706 R C 2.060 178.343 176.300 -0.027 0.000 0.891 706 R CA 0.516 56.544 56.100 -0.121 0.000 1.060 706 R CB -0.291 29.826 30.300 -0.306 0.000 1.188 706 R HN 0.560 nan 8.270 nan 0.000 0.607 707 A N 1.376 124.219 122.820 0.039 0.000 2.119 707 A HA 0.018 4.340 4.320 0.003 0.000 0.216 707 A C 1.715 179.303 177.584 0.006 0.000 1.152 707 A CA 0.293 52.355 52.037 0.042 0.000 0.708 707 A CB -0.294 18.730 19.000 0.040 0.000 0.805 707 A HN 0.306 nan 8.150 nan 0.000 0.460 708 L N 0.058 121.275 121.223 -0.011 0.000 2.661 708 L HA -0.183 4.159 4.340 0.003 0.000 0.236 708 L C 1.192 178.112 176.870 0.084 0.000 1.176 708 L CA 2.387 57.226 54.840 -0.001 0.000 0.836 708 L CB -0.939 41.085 42.059 -0.059 0.000 0.960 708 L HN 0.561 nan 8.230 nan 0.000 0.455 709 D N -1.161 119.284 120.400 0.076 0.000 2.725 709 D HA -0.032 4.610 4.640 0.003 0.000 0.269 709 D C 1.920 178.268 176.300 0.081 0.000 1.018 709 D CA 0.317 54.374 54.000 0.096 0.000 0.956 709 D CB 0.245 41.109 40.800 0.106 0.000 1.141 709 D HN 0.267 nan 8.370 nan 0.000 0.478 710 I N 0.938 121.529 120.570 0.036 0.000 3.176 710 I HA 0.002 4.175 4.170 0.003 0.000 0.275 710 I C 1.632 177.711 176.117 -0.064 0.000 1.298 710 I CA 0.654 61.930 61.300 -0.040 0.000 1.445 710 I CB -0.174 37.726 38.000 -0.166 0.000 1.075 710 I HN 0.147 nan 8.210 nan 0.000 0.482 711 I N 0.615 121.174 120.570 -0.019 0.000 3.226 711 I HA 0.141 4.313 4.170 0.003 0.000 0.277 711 I C 1.905 178.116 176.117 0.156 0.000 1.243 711 I CA 0.719 62.007 61.300 -0.020 0.000 1.459 711 I CB -0.397 37.595 38.000 -0.013 0.000 1.093 711 I HN 0.433 nan 8.210 nan 0.000 0.453 712 G N 0.473 109.451 108.800 0.296 0.000 2.176 712 G HA2 -0.375 3.587 3.960 0.003 0.000 0.253 712 G HA3 -0.375 3.587 3.960 0.003 0.000 0.253 712 G C 0.755 175.967 174.900 0.520 0.000 0.979 712 G CA 0.394 45.825 45.100 0.552 0.000 0.641 712 G HN 0.318 nan 8.290 nan 0.000 0.530 713 Y N 2.182 122.650 120.300 0.280 0.000 2.053 713 Y HA -0.206 4.346 4.550 0.004 0.000 0.277 713 Y C 3.195 179.142 175.900 0.078 0.000 1.159 713 Y CA 3.352 61.560 58.100 0.180 0.000 1.125 713 Y CB -0.561 37.938 38.460 0.066 0.000 0.969 713 Y HN 0.417 nan 8.280 nan 0.000 0.492 714 T N -1.083 113.575 114.554 0.174 0.000 2.918 714 T HA -0.250 4.102 4.350 0.003 0.000 0.271 714 T C 1.691 176.376 174.700 -0.024 0.000 1.104 714 T CA 1.599 63.741 62.100 0.070 0.000 1.114 714 T CB -0.601 68.315 68.868 0.081 0.000 0.855 714 T HN 0.533 nan 8.240 nan 0.000 0.518 715 N N 0.779 119.438 118.700 -0.069 0.000 2.251 715 N HA 0.001 4.743 4.740 0.003 0.000 0.181 715 N C 0.272 175.628 175.510 -0.256 0.000 1.019 715 N CA 0.340 53.295 53.050 -0.159 0.000 0.862 715 N CB 0.292 38.651 38.487 -0.212 0.000 0.992 715 N HN 0.283 nan 8.380 nan 0.000 0.429 716 R N 1.020 121.313 120.500 -0.345 0.000 2.607 716 R HA 0.332 4.674 4.340 0.003 0.000 0.278 716 R C -2.463 173.597 176.300 -0.400 0.000 1.637 716 R CA -1.442 54.430 56.100 -0.380 0.000 1.325 716 R CB 2.034 31.984 30.300 -0.584 0.000 1.211 716 R HN 0.244 nan 8.270 nan 0.000 0.565 717 P HA 0.092 nan 4.420 nan 0.000 0.296 717 P C -0.127 176.983 177.300 -0.317 0.000 1.295 717 P CA -0.074 62.737 63.100 -0.481 0.000 0.754 717 P CB 0.867 32.525 31.700 -0.070 0.000 1.311 718 A N -2.313 120.491 122.820 -0.026 0.000 2.665 718 A HA 0.580 4.902 4.320 0.003 0.000 0.268 718 A C 0.360 178.059 177.584 0.191 0.000 1.044 718 A CA 0.473 52.575 52.037 0.109 0.000 0.993 718 A CB -0.075 19.038 19.000 0.188 0.000 1.229 718 A HN 0.750 nan 8.150 nan 0.000 0.576 719 G N -0.387 108.507 108.800 0.156 0.000 2.632 719 G HA2 0.444 4.406 3.960 0.003 0.000 0.292 719 G HA3 0.444 4.406 3.960 0.003 0.000 0.292 719 G C -1.362 173.182 174.900 -0.592 0.000 1.465 719 G CA -0.645 44.309 45.100 -0.244 0.000 0.824 719 G HN 0.174 nan 8.290 nan 0.000 0.509 720 N N -0.031 118.369 118.700 -0.501 0.000 2.434 720 N HA 0.207 4.949 4.740 0.003 0.000 0.266 720 N C -0.523 174.796 175.510 -0.318 0.000 1.223 720 N CA -0.715 52.093 53.050 -0.404 0.000 0.972 720 N CB 0.832 38.995 38.487 -0.540 0.000 1.207 720 N HN 0.276 nan 8.380 nan 0.000 0.525 721 N N 1.125 119.778 118.700 -0.078 0.000 2.918 721 N HA 0.163 4.905 4.740 0.003 0.000 0.247 721 N C -0.750 174.795 175.510 0.057 0.000 1.117 721 N CA -0.138 52.957 53.050 0.075 0.000 1.005 721 N CB 0.678 39.245 38.487 0.133 0.000 1.297 721 N HN 0.490 nan 8.380 nan 0.000 0.513 722 A N 1.951 124.839 122.820 0.113 0.000 2.448 722 A HA 0.175 4.497 4.320 0.003 0.000 0.239 722 A C 0.669 178.271 177.584 0.029 0.000 1.080 722 A CA -0.023 52.072 52.037 0.097 0.000 0.779 722 A CB 0.383 19.494 19.000 0.184 0.000 1.026 722 A HN 0.471 nan 8.150 nan 0.000 0.499 723 I N 2.704 123.236 120.570 -0.064 0.000 2.224 723 I HA 0.087 4.259 4.170 0.003 0.000 0.293 723 I C -0.012 175.949 176.117 -0.259 0.000 1.155 723 I CA -0.025 61.175 61.300 -0.168 0.000 1.297 723 I CB -0.377 37.498 38.000 -0.209 0.000 1.487 723 I HN 0.521 nan 8.210 nan 0.000 0.564 724 L N 5.628 126.757 121.223 -0.157 0.000 2.410 724 L HA 0.364 4.706 4.340 0.003 0.000 0.273 724 L C 0.437 177.152 176.870 -0.258 0.000 1.144 724 L CA 0.283 55.049 54.840 -0.123 0.000 0.863 724 L CB 0.828 42.955 42.059 0.113 0.000 1.140 724 L HN 0.597 nan 8.230 nan 0.000 0.463 725 A N 5.756 128.416 122.820 -0.267 0.000 2.328 725 A HA 0.603 4.925 4.320 0.003 0.000 0.318 725 A C -0.870 176.772 177.584 0.097 0.000 1.347 725 A CA -0.612 51.298 52.037 -0.211 0.000 0.842 725 A CB 0.631 19.375 19.000 -0.427 0.000 1.148 725 A HN 0.467 nan 8.150 nan 0.000 0.499 726 V N 4.206 124.293 119.914 0.288 0.000 2.389 726 V HA 0.603 4.726 4.120 0.003 0.000 0.264 726 V C 0.164 176.373 176.094 0.192 0.000 1.049 726 V CA 0.381 62.817 62.300 0.226 0.000 0.932 726 V CB -0.360 31.590 31.823 0.211 0.000 1.011 726 V HN 1.084 nan 8.190 nan 0.000 0.475 727 M N 3.526 123.206 119.600 0.133 0.000 2.853 727 M HA 0.595 5.077 4.480 0.003 0.000 0.273 727 M C -0.852 175.525 176.300 0.129 0.000 1.128 727 M CA -0.559 54.811 55.300 0.117 0.000 0.814 727 M CB 2.056 34.736 32.600 0.133 0.000 1.667 727 M HN 0.344 nan 8.290 nan 0.000 0.519 728 S N 1.031 116.810 115.700 0.131 0.000 2.480 728 S HA 0.882 5.354 4.470 0.003 0.000 0.286 728 S C -0.991 173.776 174.600 0.279 0.000 1.180 728 S CA -0.474 57.827 58.200 0.169 0.000 1.075 728 S CB 1.025 64.302 63.200 0.130 0.000 0.996 728 S HN 0.853 nan 8.310 nan 0.000 0.487 729 F N 1.983 121.975 119.950 0.068 0.000 2.672 729 F HA 0.408 4.937 4.527 0.003 0.000 0.311 729 F C 0.910 176.771 175.800 0.101 0.000 1.113 729 F CA 0.311 58.353 58.000 0.070 0.000 0.996 729 F CB 1.138 40.179 39.000 0.068 0.000 1.286 729 F HN 1.087 nan 8.300 nan 0.000 0.441 730 T N 0.661 114.977 114.554 -0.397 0.000 9.945 730 T HA -0.281 4.071 4.350 0.003 0.000 0.410 730 T C 1.601 176.328 174.700 0.045 0.000 1.507 730 T CA 2.061 64.087 62.100 -0.124 0.000 2.480 730 T CB -2.355 66.584 68.868 0.118 0.000 2.922 730 T HN 2.656 nan 8.240 nan 0.000 1.162 731 G N 0.267 109.093 108.800 0.043 0.000 2.225 731 G HA2 -0.333 3.629 3.960 0.003 0.000 0.267 731 G HA3 -0.333 3.629 3.960 0.003 0.000 0.267 731 G C 0.267 175.102 174.900 -0.108 0.000 1.024 731 G CA 0.818 45.902 45.100 -0.027 0.000 0.784 731 G HN 0.841 nan 8.290 nan 0.000 0.507 732 Y N 0.242 120.547 120.300 0.009 0.000 2.482 732 Y HA 0.130 4.682 4.550 0.003 0.000 0.270 732 Y C 2.024 177.931 175.900 0.012 0.000 1.152 732 Y CA 0.873 58.977 58.100 0.005 0.000 1.292 732 Y CB 0.355 38.816 38.460 0.002 0.000 1.070 732 Y HN 0.482 nan 8.280 nan 0.000 0.528 733 N N -0.695 118.092 118.700 0.145 0.000 2.238 733 N HA 0.081 4.824 4.740 0.003 0.000 0.222 733 N C -0.131 175.422 175.510 0.072 0.000 1.133 733 N CA 0.040 53.148 53.050 0.097 0.000 0.854 733 N CB -0.390 38.152 38.487 0.091 0.000 1.041 733 N HN 0.154 nan 8.380 nan 0.000 0.510 734 M N 1.009 120.636 119.600 0.045 0.000 2.240 734 M HA 0.062 4.544 4.480 0.003 0.000 0.333 734 M C -0.172 176.140 176.300 0.021 0.000 1.110 734 M CA 0.389 55.705 55.300 0.028 0.000 1.173 734 M CB 0.348 32.939 32.600 -0.015 0.000 1.458 734 M HN 0.092 nan 8.290 nan 0.000 0.458 735 E N 2.131 122.344 120.200 0.022 0.000 3.783 735 E HA -0.173 4.179 4.350 0.003 0.000 0.154 735 E C -1.110 175.513 176.600 0.039 0.000 1.748 735 E CA 0.435 56.847 56.400 0.020 0.000 0.854 735 E CB -1.708 27.993 29.700 0.001 0.000 1.075 735 E HN 0.834 nan 8.360 nan 0.000 0.360 736 D N 0.401 120.835 120.400 0.056 0.000 3.651 736 D HA -0.122 4.520 4.640 0.003 0.000 0.191 736 D C -0.137 176.204 176.300 0.068 0.000 1.196 736 D CA 1.894 55.936 54.000 0.071 0.000 0.897 736 D CB -0.171 40.671 40.800 0.071 0.000 0.872 736 D HN 0.423 nan 8.370 nan 0.000 0.441 737 S N 1.071 116.813 115.700 0.071 0.000 2.611 737 S HA 0.713 5.185 4.470 0.003 0.000 0.268 737 S C -1.530 173.099 174.600 0.047 0.000 1.156 737 S CA -1.068 57.169 58.200 0.061 0.000 0.817 737 S CB 1.312 64.543 63.200 0.052 0.000 1.122 737 S HN 0.383 nan 8.310 nan 0.000 0.466 738 I N 2.023 122.600 120.570 0.013 0.000 2.892 738 I HA 0.696 4.868 4.170 0.003 0.000 0.306 738 I C -1.413 174.661 176.117 -0.072 0.000 1.078 738 I CA -1.295 59.967 61.300 -0.063 0.000 1.032 738 I CB 1.830 39.728 38.000 -0.170 0.000 1.229 738 I HN 0.797 nan 8.210 nan 0.000 0.435 739 I N 7.126 127.633 120.570 -0.105 0.000 2.641 739 I HA 0.315 4.487 4.170 0.003 0.000 0.275 739 I C -1.145 174.881 176.117 -0.153 0.000 1.129 739 I CA -0.500 60.754 61.300 -0.076 0.000 1.094 739 I CB 1.051 39.070 38.000 0.032 0.000 1.232 739 I HN 0.714 nan 8.210 nan 0.000 0.503 740 M N 5.869 125.332 119.600 -0.228 0.000 2.241 740 M HA 0.260 4.742 4.480 0.003 0.000 0.335 740 M C 0.253 176.459 176.300 -0.156 0.000 1.122 740 M CA 0.009 55.153 55.300 -0.260 0.000 1.164 740 M CB 0.683 33.052 32.600 -0.386 0.000 1.459 740 M HN 0.614 nan 8.290 nan 0.000 0.461 741 N N 2.247 120.870 118.700 -0.129 0.000 2.508 741 N HA 0.039 4.781 4.740 0.003 0.000 0.264 741 N C 0.229 175.702 175.510 -0.062 0.000 1.216 741 N CA 0.233 53.237 53.050 -0.077 0.000 0.943 741 N CB 0.904 39.350 38.487 -0.068 0.000 1.113 741 N HN 0.822 nan 8.380 nan 0.000 0.447 742 R N 1.893 122.368 120.500 -0.042 0.000 2.200 742 R HA 0.076 4.418 4.340 0.003 0.000 0.208 742 R C 1.148 177.436 176.300 -0.020 0.000 1.033 742 R CA 0.824 56.905 56.100 -0.032 0.000 1.000 742 R CB 0.133 30.415 30.300 -0.029 0.000 0.906 742 R HN 0.544 nan 8.270 nan 0.000 0.462 743 S N -0.116 115.573 115.700 -0.019 0.000 2.327 743 S HA -0.015 4.457 4.470 0.003 0.000 0.213 743 S C 1.736 176.323 174.600 -0.021 0.000 1.032 743 S CA 1.057 59.247 58.200 -0.017 0.000 0.960 743 S CB -0.027 63.164 63.200 -0.015 0.000 0.900 743 S HN 0.324 nan 8.310 nan 0.000 0.469 744 S N 1.441 117.125 115.700 -0.027 0.000 2.428 744 S HA -0.122 4.350 4.470 0.003 0.000 0.240 744 S C 1.857 176.450 174.600 -0.011 0.000 1.036 744 S CA 1.085 59.267 58.200 -0.030 0.000 1.009 744 S CB -0.511 62.670 63.200 -0.030 0.000 0.803 744 S HN 0.259 nan 8.310 nan 0.000 0.486 745 V N 1.456 121.371 119.914 0.001 0.000 2.255 745 V HA -0.111 4.012 4.120 0.003 0.000 0.243 745 V C 2.106 178.214 176.094 0.023 0.000 1.038 745 V CA 1.487 63.805 62.300 0.029 0.000 1.008 745 V CB -0.558 31.274 31.823 0.016 0.000 0.645 745 V HN 0.453 nan 8.190 nan 0.000 0.449 746 E N -0.379 119.826 120.200 0.008 0.000 2.501 746 E HA -0.179 4.173 4.350 0.003 0.000 0.203 746 E C 1.931 178.530 176.600 -0.001 0.000 1.072 746 E CA 0.565 56.971 56.400 0.009 0.000 0.885 746 E CB -0.057 29.644 29.700 0.002 0.000 0.813 746 E HN 0.475 nan 8.360 nan 0.000 0.556 747 R N -1.521 118.966 120.500 -0.021 0.000 2.397 747 R HA 0.136 4.478 4.340 0.003 0.000 0.241 747 R C 1.082 177.313 176.300 -0.115 0.000 0.914 747 R CA 0.469 56.532 56.100 -0.061 0.000 1.071 747 R CB 1.202 31.457 30.300 -0.074 0.000 1.116 747 R HN 0.198 nan 8.270 nan 0.000 0.524 748 G N 0.832 109.597 108.800 -0.060 0.000 2.284 748 G HA2 -0.260 3.702 3.960 0.003 0.000 0.201 748 G HA3 -0.260 3.702 3.960 0.003 0.000 0.201 748 G C 0.161 175.041 174.900 -0.033 0.000 0.998 748 G CA -0.293 44.760 45.100 -0.078 0.000 0.651 748 G HN 0.225 nan 8.290 nan 0.000 0.489 749 M N 1.155 120.720 119.600 -0.059 0.000 2.356 749 M HA 0.434 4.916 4.480 0.003 0.000 0.348 749 M C 0.900 177.274 176.300 0.124 0.000 1.595 749 M CA 0.594 55.855 55.300 -0.065 0.000 1.095 749 M CB -0.365 32.217 32.600 -0.029 0.000 1.963 749 M HN 0.583 nan 8.290 nan 0.000 0.459 750 Y N 1.246 121.616 120.300 0.117 0.000 4.490 750 Y HA -0.288 4.264 4.550 0.003 0.000 0.233 750 Y C 0.146 176.104 175.900 0.096 0.000 1.101 750 Y CA 0.318 58.508 58.100 0.150 0.000 2.010 750 Y CB -1.600 37.038 38.460 0.297 0.000 1.622 750 Y HN 0.628 nan 8.280 nan 0.000 0.675 751 R N 1.267 121.864 120.500 0.160 0.000 2.347 751 R HA 0.402 4.744 4.340 0.003 0.000 0.304 751 R C 0.756 176.872 176.300 -0.307 0.000 1.072 751 R CA 0.546 56.650 56.100 0.007 0.000 0.980 751 R CB 1.162 31.535 30.300 0.123 0.000 0.986 751 R HN 0.371 nan 8.270 nan 0.000 0.448 752 S N 1.368 116.861 115.700 -0.345 0.000 3.362 752 S HA 0.574 5.046 4.470 0.003 0.000 0.235 752 S C -0.283 174.048 174.600 -0.448 0.000 1.026 752 S CA -0.472 57.514 58.200 -0.357 0.000 1.257 752 S CB 1.818 65.009 63.200 -0.014 0.000 1.187 752 S HN 0.448 nan 8.310 nan 0.000 0.660 753 T N 0.742 115.247 114.554 -0.082 0.000 3.841 753 T HA 0.303 4.655 4.350 0.003 0.000 0.428 753 T C -2.036 172.582 174.700 -0.136 0.000 1.447 753 T CA -0.486 61.548 62.100 -0.111 0.000 1.135 753 T CB 0.435 69.234 68.868 -0.114 0.000 1.389 753 T HN 0.560 nan 8.240 nan 0.000 0.461 754 F N 4.115 123.868 119.950 -0.328 0.000 2.420 754 F HA 0.800 5.329 4.527 0.003 0.000 0.342 754 F C -1.476 174.106 175.800 -0.363 0.000 1.113 754 F CA -0.923 56.902 58.000 -0.292 0.000 1.059 754 F CB 0.645 39.527 39.000 -0.196 0.000 1.128 754 F HN 0.461 nan 8.300 nan 0.000 0.475 755 F N 6.006 125.527 119.950 -0.715 0.000 2.427 755 F HA 0.548 5.076 4.527 0.003 0.000 0.348 755 F C -0.001 175.487 175.800 -0.520 0.000 1.125 755 F CA -0.740 57.044 58.000 -0.360 0.000 0.989 755 F CB 1.467 40.354 39.000 -0.189 0.000 1.165 755 F HN 0.436 nan 8.300 nan 0.000 0.442 756 R N 2.926 123.450 120.500 0.039 0.000 2.902 756 R HA 0.841 5.183 4.340 0.003 0.000 0.258 756 R C -1.908 174.400 176.300 0.013 0.000 1.071 756 R CA -0.833 55.281 56.100 0.024 0.000 1.024 756 R CB 1.927 32.347 30.300 0.199 0.000 1.184 756 R HN 0.827 nan 8.270 nan 0.000 0.492 757 L N 2.304 123.429 121.223 -0.163 0.000 2.401 757 L HA 0.568 4.910 4.340 0.003 0.000 0.266 757 L C -1.766 174.935 176.870 -0.283 0.000 0.991 757 L CA -0.850 53.943 54.840 -0.078 0.000 0.818 757 L CB 1.745 43.793 42.059 -0.019 0.000 1.321 757 L HN 0.698 nan 8.230 nan 0.000 0.413 758 Y N 1.729 122.057 120.300 0.047 0.000 2.545 758 Y HA 0.791 5.342 4.550 0.003 0.000 0.348 758 Y C -0.013 175.907 175.900 0.033 0.000 1.002 758 Y CA -0.676 57.447 58.100 0.039 0.000 1.039 758 Y CB 2.318 40.799 38.460 0.035 0.000 1.271 758 Y HN 0.584 nan 8.280 nan 0.000 0.467 759 S N -0.282 115.525 115.700 0.178 0.000 2.735 759 S HA 0.649 5.121 4.470 0.003 0.000 0.279 759 S C -1.215 173.433 174.600 0.079 0.000 0.989 759 S CA -0.484 57.782 58.200 0.111 0.000 0.883 759 S CB 0.865 64.116 63.200 0.086 0.000 1.117 759 S HN 1.279 nan 8.310 nan 0.000 0.458 760 T N -0.622 113.970 114.554 0.062 0.000 2.792 760 T HA 0.740 5.092 4.350 0.003 0.000 0.303 760 T C -0.611 174.115 174.700 0.042 0.000 1.310 760 T CA -0.917 61.213 62.100 0.050 0.000 1.007 760 T CB 1.622 70.519 68.868 0.049 0.000 1.335 760 T HN 0.780 nan 8.240 nan 0.000 0.504 761 E N 0.132 120.354 120.200 0.038 0.000 3.552 761 E HA 0.435 4.787 4.350 0.003 0.000 0.264 761 E C 0.646 177.265 176.600 0.032 0.000 1.170 761 E CA -0.645 55.775 56.400 0.034 0.000 1.313 761 E CB 0.882 30.601 29.700 0.032 0.000 1.522 761 E HN 0.848 nan 8.360 nan 0.000 0.653 762 E N -0.439 119.779 120.200 0.031 0.000 2.414 762 E HA 0.101 4.454 4.350 0.003 0.000 0.208 762 E C -0.284 176.339 176.600 0.038 0.000 0.820 762 E CA 0.009 56.428 56.400 0.031 0.000 1.143 762 E CB 1.102 30.817 29.700 0.025 0.000 1.150 762 E HN 0.062 nan 8.360 nan 0.000 0.540 763 V N 3.635 123.572 119.914 0.038 0.000 2.442 763 V HA -0.073 4.049 4.120 0.003 0.000 0.272 763 V C 0.546 176.679 176.094 0.064 0.000 0.989 763 V CA 1.146 63.475 62.300 0.048 0.000 1.123 763 V CB 0.156 32.000 31.823 0.036 0.000 1.008 763 V HN 0.201 nan 8.190 nan 0.000 0.469 764 K N 3.992 124.445 120.400 0.089 0.000 2.417 764 K HA 0.233 4.555 4.320 0.003 0.000 0.196 764 K C -0.481 176.268 176.600 0.248 0.000 1.023 764 K CA 0.154 56.514 56.287 0.123 0.000 1.122 764 K CB 0.309 32.864 32.500 0.091 0.000 0.850 764 K HN 0.599 nan 8.250 nan 0.000 0.521 765 Y N 0.127 120.430 120.300 0.007 0.000 2.620 765 Y HA 0.171 4.722 4.550 0.001 0.000 0.331 765 Y C -2.738 173.164 175.900 0.003 0.000 1.173 765 Y CA -2.484 55.619 58.100 0.005 0.000 1.076 765 Y CB 1.576 40.039 38.460 0.004 0.000 1.336 765 Y HN -0.144 nan 8.280 nan 0.000 0.459 766 P HA 0.391 nan 4.420 nan 0.000 0.281 766 P C 0.526 177.774 177.300 -0.087 0.000 1.281 766 P CA 0.883 63.863 63.100 -0.201 0.000 0.811 766 P CB 1.516 33.036 31.700 -0.299 0.000 1.154 767 G N 0.413 109.184 108.800 -0.050 0.000 4.297 767 G HA2 -0.249 3.713 3.960 0.003 0.000 0.359 767 G HA3 -0.249 3.713 3.960 0.003 0.000 0.359 767 G C 0.495 175.417 174.900 0.037 0.000 1.454 767 G CA 0.638 45.734 45.100 -0.006 0.000 1.272 767 G HN 0.951 nan 8.290 nan 0.000 0.797 768 G N -2.105 106.747 108.800 0.085 0.000 2.473 768 G HA2 0.717 4.679 3.960 0.003 0.000 0.321 768 G HA3 0.717 4.679 3.960 0.003 0.000 0.321 768 G C -0.164 174.831 174.900 0.158 0.000 1.200 768 G CA 1.030 46.188 45.100 0.097 0.000 0.963 768 G HN 1.312 nan 8.290 nan 0.000 0.483 769 Q N -0.699 119.162 119.800 0.101 0.000 0.996 769 Q HA -0.154 4.188 4.340 0.003 0.000 0.256 769 Q C -0.382 175.671 176.000 0.089 0.000 1.058 769 Q CA 0.529 56.384 55.803 0.086 0.000 0.781 769 Q CB -0.920 27.870 28.738 0.087 0.000 3.914 769 Q HN 1.161 nan 8.270 nan 0.000 0.366 770 E N 1.407 121.669 120.200 0.103 0.000 7.332 770 E HA -0.083 4.269 4.350 0.003 0.000 0.192 770 E C -1.895 174.734 176.600 0.049 0.000 0.927 770 E CA 0.397 56.850 56.400 0.089 0.000 1.657 770 E CB -0.794 28.948 29.700 0.069 0.000 0.901 770 E HN 0.456 nan 8.360 nan 0.000 0.276 771 D N 2.468 122.892 120.400 0.041 0.000 2.447 771 D HA 0.547 5.189 4.640 0.003 0.000 0.265 771 D C 0.469 176.782 176.300 0.021 0.000 1.250 771 D CA 0.115 54.127 54.000 0.020 0.000 1.046 771 D CB 0.640 41.443 40.800 0.006 0.000 1.095 771 D HN 0.402 nan 8.370 nan 0.000 0.555 772 K N -0.625 119.781 120.400 0.011 0.000 2.283 772 K HA 0.563 4.885 4.320 0.003 0.000 0.257 772 K C -0.655 175.944 176.600 -0.001 0.000 1.066 772 K CA -0.846 55.446 56.287 0.008 0.000 0.891 772 K CB 1.432 33.935 32.500 0.005 0.000 1.438 772 K HN 0.205 nan 8.250 nan 0.000 0.464 773 I N 2.470 123.039 120.570 -0.002 0.000 2.241 773 I HA 0.198 4.370 4.170 0.003 0.000 0.294 773 I C -1.052 175.052 176.117 -0.022 0.000 1.145 773 I CA -0.509 60.785 61.300 -0.011 0.000 1.261 773 I CB 0.264 38.263 38.000 -0.001 0.000 1.475 773 I HN 0.057 nan 8.210 nan 0.000 0.533 774 V N 6.101 125.992 119.914 -0.039 0.000 2.697 774 V HA 0.157 4.279 4.120 0.003 0.000 0.300 774 V C 0.145 176.185 176.094 -0.090 0.000 1.115 774 V CA -0.784 61.487 62.300 -0.048 0.000 0.912 774 V CB 1.948 33.750 31.823 -0.035 0.000 1.024 774 V HN 0.774 nan 8.190 nan 0.000 0.431 775 M N 8.091 127.625 119.600 -0.111 0.000 2.472 775 M HA -0.044 4.438 4.480 0.003 0.000 0.497 775 M C -1.890 174.251 176.300 -0.266 0.000 1.560 775 M CA 0.220 55.395 55.300 -0.209 0.000 0.894 775 M CB 0.198 32.718 32.600 -0.133 0.000 1.983 775 M HN 0.484 nan 8.290 nan 0.000 0.521 776 P HA 0.229 nan 4.420 nan 0.000 0.274 776 P C -1.455 175.607 177.300 -0.398 0.000 1.246 776 P CA 0.043 62.952 63.100 -0.319 0.000 0.795 776 P CB 0.745 32.287 31.700 -0.263 0.000 1.006 777 E N -0.627 119.384 120.200 -0.315 0.000 2.366 777 E HA 0.539 4.891 4.350 0.003 0.000 0.278 777 E C -0.915 175.401 176.600 -0.473 0.000 0.923 777 E CA -1.021 55.240 56.400 -0.232 0.000 0.761 777 E CB 1.745 31.387 29.700 -0.096 0.000 1.231 777 E HN 0.466 nan 8.360 nan 0.000 0.443 778 A N 1.099 123.626 122.820 -0.487 0.000 2.546 778 A HA 0.440 4.762 4.320 0.003 0.000 0.243 778 A C 0.955 178.450 177.584 -0.149 0.000 1.063 778 A CA 1.119 52.814 52.037 -0.571 0.000 0.757 778 A CB -0.281 18.664 19.000 -0.092 0.000 0.991 778 A HN 0.823 nan 8.150 nan 0.000 0.503 779 G N 0.282 109.146 108.800 0.106 0.000 4.260 779 G HA2 0.305 4.267 3.960 0.003 0.000 0.164 779 G HA3 0.305 4.267 3.960 0.003 0.000 0.164 779 G C 0.201 175.198 174.900 0.162 0.000 0.955 779 G CA 0.762 45.931 45.100 0.114 0.000 0.797 779 G HN 1.252 nan 8.290 nan 0.000 0.516 780 V N -1.000 119.074 119.914 0.266 0.000 3.188 780 V HA 0.459 4.581 4.120 0.003 0.000 0.258 780 V C 0.609 176.726 176.094 0.038 0.000 1.702 780 V CA 0.636 63.010 62.300 0.123 0.000 1.020 780 V CB 0.859 32.730 31.823 0.081 0.000 0.884 780 V HN 0.288 nan 8.190 nan 0.000 0.399 781 R N 0.688 121.156 120.500 -0.053 0.000 2.982 781 R HA 0.523 4.865 4.340 0.003 0.000 0.096 781 R C -0.716 175.172 176.300 -0.687 0.000 0.536 781 R CA 0.480 56.408 56.100 -0.287 0.000 0.329 781 R CB 0.795 30.956 30.300 -0.230 0.000 0.440 781 R HN 0.320 nan 8.270 nan 0.000 0.319 782 G N 0.429 108.783 108.800 -0.744 0.000 2.461 782 G HA2 0.631 4.594 3.960 0.003 0.000 0.323 782 G HA3 0.631 4.594 3.960 0.003 0.000 0.323 782 G C -1.421 173.012 174.900 -0.779 0.000 1.229 782 G CA -0.345 44.335 45.100 -0.700 0.000 0.941 782 G HN 0.366 nan 8.290 nan 0.000 0.477 783 Y N 0.480 120.800 120.300 0.033 0.000 3.300 783 Y HA 0.709 5.260 4.550 0.001 0.000 0.297 783 Y C 0.079 176.019 175.900 0.066 0.000 1.747 783 Y CA -1.185 56.941 58.100 0.045 0.000 0.937 783 Y CB 1.352 39.845 38.460 0.055 0.000 1.377 783 Y HN 0.283 nan 8.280 nan 0.000 0.662 784 K N 0.485 121.074 120.400 0.315 0.000 2.716 784 K HA 0.513 4.835 4.320 0.003 0.000 0.249 784 K C -0.802 175.975 176.600 0.296 0.000 1.004 784 K CA -0.307 56.121 56.287 0.235 0.000 0.968 784 K CB 1.582 34.186 32.500 0.173 0.000 1.214 784 K HN 0.975 nan 8.250 nan 0.000 0.476 785 G N 2.825 111.782 108.800 0.261 0.000 2.999 785 G HA2 -0.286 3.676 3.960 0.003 0.000 0.686 785 G HA3 -0.286 3.676 3.960 0.003 0.000 0.686 785 G C -0.903 174.122 174.900 0.209 0.000 1.551 785 G CA -0.526 44.719 45.100 0.242 0.000 1.126 785 G HN 0.478 nan 8.290 nan 0.000 0.603 786 K N 0.962 121.345 120.400 -0.028 0.000 2.281 786 K HA 0.584 4.906 4.320 0.003 0.000 0.242 786 K C 0.088 176.415 176.600 -0.455 0.000 0.971 786 K CA -0.735 55.463 56.287 -0.149 0.000 0.834 786 K CB 1.304 33.742 32.500 -0.104 0.000 1.181 786 K HN 0.602 nan 8.250 nan 0.000 0.435 787 E N 0.700 120.455 120.200 -0.742 0.000 2.291 787 E HA -0.232 4.120 4.350 0.003 0.000 0.181 787 E C -1.024 175.270 176.600 -0.511 0.000 1.480 787 E CA 0.744 56.754 56.400 -0.650 0.000 0.674 787 E CB -1.013 28.453 29.700 -0.389 0.000 1.108 787 E HN 0.564 nan 8.360 nan 0.000 0.357 788 Y N -1.583 118.418 120.300 -0.499 0.000 2.728 788 Y HA 0.150 4.702 4.550 0.002 0.000 0.267 788 Y C 1.487 177.378 175.900 -0.016 0.000 1.169 788 Y CA 0.148 58.165 58.100 -0.139 0.000 1.168 788 Y CB -0.499 37.971 38.460 0.016 0.000 1.370 788 Y HN 0.406 nan 8.280 nan 0.000 0.482 789 Y N 0.461 120.854 120.300 0.155 0.000 1.857 789 Y HA -0.425 4.129 4.550 0.006 0.000 0.218 789 Y C 2.547 178.474 175.900 0.046 0.000 1.057 789 Y CA 1.206 59.345 58.100 0.065 0.000 1.006 789 Y CB -0.892 37.587 38.460 0.032 0.000 0.886 789 Y HN 0.016 nan 8.280 nan 0.000 0.527 790 R N 0.120 120.711 120.500 0.152 0.000 2.020 790 R HA -0.336 4.006 4.340 0.003 0.000 0.156 790 R C 1.294 177.635 176.300 0.069 0.000 0.936 790 R CA 2.702 58.841 56.100 0.066 0.000 0.681 790 R CB -1.837 28.473 30.300 0.018 0.000 0.560 790 R HN 0.526 nan 8.270 nan 0.000 0.328 791 L N 0.938 122.197 121.223 0.060 0.000 2.450 791 L HA -0.051 4.291 4.340 0.003 0.000 0.225 791 L C 0.767 177.662 176.870 0.041 0.000 1.145 791 L CA 0.770 55.633 54.840 0.038 0.000 0.801 791 L CB -0.635 41.438 42.059 0.023 0.000 0.924 791 L HN 0.178 nan 8.230 nan 0.000 0.447 792 L N 0.421 121.687 121.223 0.070 0.000 2.278 792 L HA 0.157 4.499 4.340 0.003 0.000 0.287 792 L C 0.725 177.626 176.870 0.053 0.000 1.072 792 L CA -0.514 54.361 54.840 0.059 0.000 0.819 792 L CB 0.833 42.941 42.059 0.080 0.000 1.176 792 L HN -0.004 nan 8.230 nan 0.000 0.435 793 E N 1.636 121.854 120.200 0.030 0.000 3.876 793 E HA -0.095 4.257 4.350 0.003 0.000 0.398 793 E C 1.055 177.669 176.600 0.023 0.000 1.531 793 E CA 0.299 56.715 56.400 0.025 0.000 2.239 793 E CB 0.340 30.049 29.700 0.016 0.000 1.198 793 E HN 0.588 nan 8.360 nan 0.000 0.720 794 D N 0.269 120.678 120.400 0.015 0.000 2.178 794 D HA -0.154 4.488 4.640 0.003 0.000 0.202 794 D C 0.806 177.106 176.300 0.000 0.000 0.974 794 D CA 0.805 54.810 54.000 0.010 0.000 0.841 794 D CB -0.475 40.330 40.800 0.007 0.000 0.953 794 D HN 0.345 nan 8.370 nan 0.000 0.478 795 N N 0.533 119.233 118.700 -0.000 0.000 2.398 795 N HA 0.037 4.779 4.740 0.003 0.000 0.188 795 N C 1.442 176.944 175.510 -0.013 0.000 1.122 795 N CA 0.786 53.833 53.050 -0.006 0.000 0.866 795 N CB -0.097 38.390 38.487 -0.001 0.000 0.970 795 N HN 0.297 nan 8.380 nan 0.000 0.462 796 G N -0.632 108.159 108.800 -0.014 0.000 2.182 796 G HA2 -0.197 3.765 3.960 0.003 0.000 0.248 796 G HA3 -0.197 3.765 3.960 0.003 0.000 0.248 796 G C -0.671 174.220 174.900 -0.015 0.000 1.042 796 G CA 0.333 45.416 45.100 -0.028 0.000 0.775 796 G HN 0.340 nan 8.290 nan 0.000 0.501 797 V N 0.055 119.969 119.914 -0.001 0.000 2.888 797 V HA 0.691 4.813 4.120 0.003 0.000 0.309 797 V C 1.116 177.213 176.094 0.005 0.000 1.114 797 V CA -0.492 61.808 62.300 0.001 0.000 0.940 797 V CB 1.959 33.784 31.823 0.004 0.000 1.021 797 V HN 1.065 nan 8.190 nan 0.000 0.426 798 V N 1.952 121.866 119.914 -0.001 0.000 3.857 798 V HA 0.810 4.932 4.120 0.003 0.000 0.275 798 V C 0.259 176.356 176.094 0.005 0.000 0.992 798 V CA 0.336 62.636 62.300 0.000 0.000 0.998 798 V CB 1.200 33.014 31.823 -0.015 0.000 1.234 798 V HN 1.366 nan 8.190 nan 0.000 0.438 799 S N -2.437 113.266 115.700 0.006 0.000 2.548 799 S HA 0.614 5.086 4.470 0.003 0.000 0.278 799 S C -2.276 172.331 174.600 0.011 0.000 1.150 799 S CA -0.649 57.556 58.200 0.010 0.000 0.907 799 S CB 1.200 64.405 63.200 0.009 0.000 1.108 799 S HN 0.804 nan 8.310 nan 0.000 0.459 800 P HA -0.271 nan 4.420 nan 0.000 0.268 800 P C 0.261 177.572 177.300 0.018 0.000 0.966 800 P CA 1.300 64.411 63.100 0.019 0.000 1.122 800 P CB -0.154 31.555 31.700 0.014 0.000 0.816 801 E N -0.615 119.594 120.200 0.015 0.000 3.075 801 E HA -0.024 4.328 4.350 0.003 0.000 0.225 801 E C -0.337 176.269 176.600 0.009 0.000 1.411 801 E CA 0.584 56.992 56.400 0.013 0.000 1.289 801 E CB -1.119 28.587 29.700 0.010 0.000 1.239 801 E HN 0.045 nan 8.360 nan 0.000 0.435 802 V N 1.777 121.696 119.914 0.008 0.000 2.334 802 V HA 0.032 4.154 4.120 0.003 0.000 0.267 802 V C 0.630 176.723 176.094 -0.001 0.000 1.040 802 V CA -0.467 61.835 62.300 0.003 0.000 0.866 802 V CB 0.824 32.647 31.823 0.000 0.000 1.019 802 V HN 0.140 nan 8.190 nan 0.000 0.468 803 E N 3.795 123.994 120.200 -0.001 0.000 2.271 803 E HA 0.116 4.468 4.350 0.003 0.000 0.255 803 E C -0.377 176.217 176.600 -0.012 0.000 1.177 803 E CA -0.054 56.344 56.400 -0.004 0.000 0.946 803 E CB 0.809 30.508 29.700 -0.001 0.000 1.009 803 E HN 0.428 nan 8.360 nan 0.000 0.451 804 V N 3.732 123.633 119.914 -0.021 0.000 2.837 804 V HA 0.378 4.501 4.120 0.003 0.000 0.310 804 V C 0.110 176.181 176.094 -0.038 0.000 1.059 804 V CA -0.373 61.904 62.300 -0.038 0.000 1.004 804 V CB 1.864 33.644 31.823 -0.070 0.000 1.045 804 V HN 0.593 nan 8.190 nan 0.000 0.465 805 K N 0.354 120.725 120.400 -0.048 0.000 2.507 805 K HA 0.689 5.011 4.320 0.003 0.000 0.284 805 K C 0.458 177.013 176.600 -0.074 0.000 1.038 805 K CA 0.050 56.307 56.287 -0.050 0.000 0.903 805 K CB 0.904 33.383 32.500 -0.036 0.000 1.531 805 K HN 0.927 nan 8.250 nan 0.000 0.430 806 G N 0.287 109.035 108.800 -0.087 0.000 2.536 806 G HA2 -0.300 3.662 3.960 0.003 0.000 0.607 806 G HA3 -0.300 3.662 3.960 0.003 0.000 0.607 806 G C 0.565 175.386 174.900 -0.132 0.000 1.383 806 G CA 0.518 45.544 45.100 -0.123 0.000 0.926 806 G HN 0.824 nan 8.290 nan 0.000 0.515 807 G N 0.167 108.874 108.800 -0.156 0.000 3.471 807 G HA2 0.422 4.384 3.960 0.003 0.000 0.254 807 G HA3 0.422 4.384 3.960 0.003 0.000 0.254 807 G C 0.075 174.769 174.900 -0.343 0.000 1.199 807 G CA 0.609 45.590 45.100 -0.199 0.000 1.683 807 G HN 0.592 nan 8.290 nan 0.000 0.625 808 D N -0.175 120.078 120.400 -0.245 0.000 2.384 808 D HA 0.224 4.867 4.640 0.003 0.000 0.244 808 D C 0.357 176.538 176.300 -0.198 0.000 1.251 808 D CA -0.117 53.749 54.000 -0.224 0.000 0.961 808 D CB 1.492 42.228 40.800 -0.107 0.000 1.116 808 D HN -0.044 nan 8.370 nan 0.000 0.484 809 V N 1.688 121.540 119.914 -0.103 0.000 2.347 809 V HA 0.129 4.252 4.120 0.003 0.000 0.280 809 V C 1.270 177.328 176.094 -0.060 0.000 1.021 809 V CA -0.409 61.857 62.300 -0.056 0.000 0.847 809 V CB 1.126 32.986 31.823 0.062 0.000 0.990 809 V HN 0.410 nan 8.190 nan 0.000 0.444 810 L N 4.491 125.644 121.223 -0.116 0.000 2.202 810 L HA 0.351 4.693 4.340 0.003 0.000 0.205 810 L C 0.313 177.148 176.870 -0.059 0.000 1.083 810 L CA 1.309 56.072 54.840 -0.127 0.000 0.790 810 L CB 0.271 42.169 42.059 -0.268 0.000 0.942 810 L HN 0.462 nan 8.230 nan 0.000 0.452 811 I N -0.745 119.800 120.570 -0.041 0.000 2.610 811 I HA 0.307 4.479 4.170 0.003 0.000 0.289 811 I C -0.269 175.833 176.117 -0.025 0.000 1.163 811 I CA -0.466 60.823 61.300 -0.019 0.000 1.044 811 I CB 2.108 40.109 38.000 0.002 0.000 1.251 811 I HN -0.141 nan 8.210 nan 0.000 0.424 812 G N 5.462 114.235 108.800 -0.045 0.000 2.347 812 G HA2 0.630 4.592 3.960 0.003 0.000 0.314 812 G HA3 0.630 4.592 3.960 0.003 0.000 0.314 812 G C -0.651 174.209 174.900 -0.066 0.000 1.126 812 G CA -0.248 44.802 45.100 -0.083 0.000 0.929 812 G HN 0.549 nan 8.290 nan 0.000 0.441 813 K N 0.483 120.858 120.400 -0.042 0.000 2.082 813 K HA 0.833 5.155 4.320 0.003 0.000 0.242 813 K C -1.239 175.353 176.600 -0.012 0.000 1.070 813 K CA -0.951 55.324 56.287 -0.020 0.000 0.892 813 K CB 2.580 35.084 32.500 0.005 0.000 1.417 813 K HN 0.260 nan 8.250 nan 0.000 0.541 814 V N 1.549 121.469 119.914 0.009 0.000 2.926 814 V HA 0.013 4.135 4.120 0.003 0.000 0.251 814 V C -1.303 174.804 176.094 0.021 0.000 1.724 814 V CA -0.810 61.507 62.300 0.027 0.000 0.858 814 V CB 1.493 33.338 31.823 0.038 0.000 1.199 814 V HN 0.905 nan 8.190 nan 0.000 0.490 815 S N 6.367 122.080 115.700 0.021 0.000 2.585 815 S HA 0.786 5.258 4.470 0.003 0.000 0.277 815 S C -2.588 171.986 174.600 -0.042 0.000 1.241 815 S CA -1.382 56.824 58.200 0.010 0.000 1.041 815 S CB 2.083 65.308 63.200 0.043 0.000 0.987 815 S HN 0.570 nan 8.310 nan 0.000 0.512 816 P HA 0.464 nan 4.420 nan 0.000 0.292 816 P C -2.731 174.329 177.300 -0.401 0.000 1.287 816 P CA -1.753 61.230 63.100 -0.194 0.000 0.800 816 P CB 1.296 32.891 31.700 -0.176 0.000 0.945 817 P HA 0.585 nan 4.420 nan 0.000 0.304 817 P C -0.604 176.481 177.300 -0.359 0.000 1.310 817 P CA -0.594 62.296 63.100 -0.349 0.000 0.796 817 P CB 2.018 33.624 31.700 -0.156 0.000 1.297 832 K N 0.143 120.526 120.400 -0.027 0.000 2.565 832 K HA 0.438 4.760 4.320 0.003 0.000 0.251 832 K C -0.768 175.816 176.600 -0.026 0.000 0.956 832 K CA -0.530 55.763 56.287 0.010 0.000 0.809 832 K CB 2.645 35.219 32.500 0.122 0.000 1.267 832 K HN 0.351 nan 8.250 nan 0.000 0.438 833 R N 1.560 122.051 120.500 -0.016 0.000 2.474 833 R HA 0.090 4.432 4.340 0.003 0.000 0.295 833 R C 0.451 176.783 176.300 0.052 0.000 0.980 833 R CA -0.255 55.835 56.100 -0.016 0.000 0.934 833 R CB 1.033 31.322 30.300 -0.019 0.000 1.101 833 R HN 0.665 nan 8.270 nan 0.000 0.469 834 D N 1.162 121.609 120.400 0.079 0.000 2.081 834 D HA -0.139 4.503 4.640 0.003 0.000 0.194 834 D C 0.283 176.619 176.300 0.060 0.000 0.986 834 D CA 2.882 56.947 54.000 0.108 0.000 0.837 834 D CB 0.294 41.173 40.800 0.132 0.000 0.985 834 D HN 0.805 nan 8.370 nan 0.000 0.448 835 T N -1.573 113.011 114.554 0.051 0.000 12.057 835 T HA -0.280 4.072 4.350 0.003 0.000 0.412 835 T C 0.498 175.220 174.700 0.036 0.000 1.495 835 T CA 1.516 63.641 62.100 0.042 0.000 2.454 835 T CB -2.064 66.827 68.868 0.038 0.000 2.808 835 T HN 0.517 nan 8.240 nan 0.000 0.847 836 S N 2.557 118.272 115.700 0.025 0.000 2.817 836 S HA 0.123 4.595 4.470 0.003 0.000 0.333 836 S C 0.329 174.940 174.600 0.020 0.000 1.227 836 S CA -0.123 58.083 58.200 0.010 0.000 1.027 836 S CB -0.453 62.739 63.200 -0.014 0.000 0.732 836 S HN 0.552 nan 8.310 nan 0.000 0.499 837 I N 3.290 123.872 120.570 0.021 0.000 2.533 837 I HA 0.136 4.308 4.170 0.003 0.000 0.284 837 I C 0.351 176.461 176.117 -0.011 0.000 1.109 837 I CA -0.382 60.940 61.300 0.035 0.000 1.412 837 I CB 0.275 38.313 38.000 0.063 0.000 1.396 837 I HN 0.466 nan 8.210 nan 0.000 0.543 838 V N 4.721 124.634 119.914 -0.002 0.000 3.193 838 V HA 0.370 4.492 4.120 0.003 0.000 0.320 838 V C 0.257 176.301 176.094 -0.082 0.000 1.112 838 V CA -0.734 61.528 62.300 -0.063 0.000 1.026 838 V CB 1.899 33.691 31.823 -0.050 0.000 1.128 838 V HN 0.671 nan 8.190 nan 0.000 0.452 839 T N 2.249 116.723 114.554 -0.134 0.000 2.771 839 T HA 0.324 4.676 4.350 0.003 0.000 0.291 839 T C 0.279 175.007 174.700 0.046 0.000 0.954 839 T CA -0.488 61.540 62.100 -0.120 0.000 1.045 839 T CB 0.238 69.002 68.868 -0.174 0.000 0.917 839 T HN 0.468 nan 8.240 nan 0.000 0.484 840 R N 1.678 122.304 120.500 0.210 0.000 2.545 840 R HA -0.151 4.191 4.340 0.003 0.000 0.269 840 R C 1.420 177.763 176.300 0.071 0.000 0.970 840 R CA 0.271 56.461 56.100 0.150 0.000 1.096 840 R CB 0.087 30.473 30.300 0.144 0.000 0.889 840 R HN 0.807 nan 8.270 nan 0.000 0.422 841 H N 1.486 120.554 119.070 -0.003 0.000 2.292 841 H HA -0.171 4.387 4.556 0.003 0.000 0.292 841 H C 1.510 176.816 175.328 -0.036 0.000 1.100 841 H CA 2.568 58.600 56.048 -0.026 0.000 1.238 841 H CB -0.015 29.725 29.762 -0.037 0.000 1.355 841 H HN 0.754 nan 8.280 nan 0.000 0.484 842 G N -0.895 107.765 108.800 -0.233 0.000 3.863 842 G HA2 0.099 4.062 3.960 0.003 0.000 0.290 842 G HA3 0.099 4.062 3.960 0.003 0.000 0.290 842 G C -0.423 174.397 174.900 -0.133 0.000 1.018 842 G CA -0.272 44.672 45.100 -0.260 0.000 0.824 842 G HN 0.443 nan 8.290 nan 0.000 0.507 843 E N 0.941 121.087 120.200 -0.091 0.000 2.301 843 E HA 0.619 4.971 4.350 0.003 0.000 0.275 843 E C 0.365 176.941 176.600 -0.039 0.000 1.030 843 E CA -0.543 55.828 56.400 -0.050 0.000 0.852 843 E CB 0.844 30.551 29.700 0.010 0.000 1.060 843 E HN 0.387 nan 8.360 nan 0.000 0.401 844 M N 1.662 121.245 119.600 -0.028 0.000 2.846 844 M HA 0.887 5.369 4.480 0.003 0.000 0.282 844 M C -0.328 175.974 176.300 0.004 0.000 1.266 844 M CA -0.441 54.846 55.300 -0.022 0.000 0.766 844 M CB 2.149 34.730 32.600 -0.033 0.000 1.739 844 M HN 0.550 nan 8.290 nan 0.000 0.442 845 G N 0.311 109.111 108.800 0.000 0.000 2.361 845 G HA2 0.301 4.263 3.960 0.003 0.000 0.305 845 G HA3 0.301 4.263 3.960 0.003 0.000 0.305 845 G C -2.195 172.708 174.900 0.005 0.000 1.367 845 G CA -1.116 43.991 45.100 0.011 0.000 0.951 845 G HN 0.902 nan 8.290 nan 0.000 0.615 846 I N 1.129 121.703 120.570 0.007 0.000 2.304 846 I HA 0.317 4.489 4.170 0.003 0.000 0.291 846 I C 0.943 177.072 176.117 0.020 0.000 1.018 846 I CA -0.803 60.502 61.300 0.008 0.000 1.260 846 I CB 1.478 39.482 38.000 0.007 0.000 1.390 846 I HN 0.368 nan 8.210 nan 0.000 0.475 847 V N 6.516 126.439 119.914 0.014 0.000 2.720 847 V HA -0.132 3.990 4.120 0.003 0.000 0.307 847 V C 0.718 176.838 176.094 0.044 0.000 1.071 847 V CA 0.923 63.238 62.300 0.025 0.000 1.199 847 V CB 0.852 32.678 31.823 0.005 0.000 0.900 847 V HN 0.863 nan 8.190 nan 0.000 0.494 848 D N 2.459 122.903 120.400 0.073 0.000 2.480 848 D HA 0.271 4.913 4.640 0.003 0.000 0.243 848 D C -0.429 175.919 176.300 0.079 0.000 1.120 848 D CA -0.051 54.000 54.000 0.085 0.000 0.835 848 D CB 0.603 41.486 40.800 0.139 0.000 1.204 848 D HN 0.343 nan 8.370 nan 0.000 0.513 849 L N 0.438 121.707 121.223 0.077 0.000 2.672 849 L HA 0.533 4.875 4.340 0.003 0.000 0.256 849 L C -2.010 174.894 176.870 0.057 0.000 0.946 849 L CA -0.737 54.138 54.840 0.059 0.000 0.889 849 L CB 1.773 43.870 42.059 0.062 0.000 1.441 849 L HN -0.163 nan 8.230 nan 0.000 0.418 850 V N 3.088 123.026 119.914 0.040 0.000 2.962 850 V HA 0.762 4.884 4.120 0.003 0.000 0.313 850 V C -0.983 175.130 176.094 0.031 0.000 1.099 850 V CA -0.758 61.565 62.300 0.038 0.000 0.971 850 V CB 1.982 33.821 31.823 0.028 0.000 1.028 850 V HN 0.825 nan 8.190 nan 0.000 0.430 851 L N 3.381 124.623 121.223 0.033 0.000 2.543 851 L HA 0.678 5.020 4.340 0.003 0.000 0.265 851 L C -2.087 174.799 176.870 0.027 0.000 0.945 851 L CA -0.364 54.492 54.840 0.027 0.000 0.869 851 L CB 1.978 44.053 42.059 0.028 0.000 1.294 851 L HN 0.684 nan 8.230 nan 0.000 0.405 852 I N 3.780 124.363 120.570 0.022 0.000 2.447 852 I HA 0.721 4.893 4.170 0.003 0.000 0.287 852 I C 0.004 176.133 176.117 0.019 0.000 1.023 852 I CA 0.084 61.396 61.300 0.021 0.000 1.083 852 I CB 1.988 39.998 38.000 0.017 0.000 1.245 852 I HN 0.487 nan 8.210 nan 0.000 0.434 853 T N 3.251 117.818 114.554 0.022 0.000 2.598 853 T HA 0.608 4.960 4.350 0.003 0.000 0.289 853 T C -1.038 173.675 174.700 0.021 0.000 1.056 853 T CA -0.969 61.144 62.100 0.021 0.000 1.088 853 T CB 1.717 70.600 68.868 0.024 0.000 1.519 853 T HN 0.509 nan 8.240 nan 0.000 0.488 854 E N 0.430 120.643 120.200 0.022 0.000 2.356 854 E HA 0.537 4.889 4.350 0.003 0.000 0.275 854 E C -1.083 175.531 176.600 0.024 0.000 0.904 854 E CA -0.861 55.551 56.400 0.021 0.000 0.757 854 E CB 1.879 31.590 29.700 0.017 0.000 1.232 854 E HN 0.474 nan 8.360 nan 0.000 0.442 855 T N 0.624 115.193 114.554 0.025 0.000 2.766 855 T HA 0.163 4.515 4.350 0.003 0.000 0.295 855 T C 1.360 176.074 174.700 0.023 0.000 1.024 855 T CA 0.052 62.168 62.100 0.027 0.000 1.018 855 T CB 0.844 69.728 68.868 0.027 0.000 1.002 855 T HN 0.648 nan 8.240 nan 0.000 0.532 856 A N 0.477 123.311 122.820 0.024 0.000 2.131 856 A HA -0.121 4.201 4.320 0.003 0.000 0.220 856 A C 2.155 179.747 177.584 0.014 0.000 1.158 856 A CA 1.097 53.145 52.037 0.018 0.000 0.665 856 A CB -0.546 18.465 19.000 0.019 0.000 0.795 856 A HN 0.771 nan 8.150 nan 0.000 0.460 857 E N -1.079 119.131 120.200 0.016 0.000 2.031 857 E HA -0.013 4.340 4.350 0.003 0.000 0.193 857 E C 1.625 178.232 176.600 0.012 0.000 0.994 857 E CA 1.347 57.755 56.400 0.013 0.000 0.800 857 E CB -0.545 29.165 29.700 0.015 0.000 0.752 857 E HN 0.926 nan 8.360 nan 0.000 0.447 858 G N 0.543 109.351 108.800 0.014 0.000 2.227 858 G HA2 -0.153 3.809 3.960 0.003 0.000 0.168 858 G HA3 -0.153 3.809 3.960 0.003 0.000 0.168 858 G C 0.025 174.934 174.900 0.015 0.000 1.006 858 G CA -0.243 44.864 45.100 0.013 0.000 0.684 858 G HN 0.093 nan 8.290 nan 0.000 0.489 859 N N 0.991 119.702 118.700 0.018 0.000 2.530 859 N HA 0.310 5.052 4.740 0.003 0.000 0.277 859 N C 0.118 175.640 175.510 0.020 0.000 1.168 859 N CA -0.104 52.958 53.050 0.020 0.000 0.979 859 N CB 0.784 39.285 38.487 0.022 0.000 1.141 859 N HN 0.234 nan 8.380 nan 0.000 0.459 860 K N 1.527 121.939 120.400 0.020 0.000 2.054 860 K HA 0.044 4.366 4.320 0.003 0.000 0.242 860 K C -0.100 176.514 176.600 0.023 0.000 1.157 860 K CA -0.308 55.990 56.287 0.019 0.000 1.079 860 K CB -0.258 32.251 32.500 0.016 0.000 1.331 860 K HN 0.242 nan 8.250 nan 0.000 0.317 861 L N 2.951 124.190 121.223 0.026 0.000 2.416 861 L HA 0.161 4.503 4.340 0.003 0.000 0.272 861 L C -0.661 176.228 176.870 0.032 0.000 1.161 861 L CA 0.043 54.901 54.840 0.030 0.000 0.845 861 L CB 1.020 43.099 42.059 0.032 0.000 1.119 861 L HN 0.166 nan 8.230 nan 0.000 0.464 862 V N 5.469 125.405 119.914 0.037 0.000 2.638 862 V HA 0.518 4.640 4.120 0.003 0.000 0.306 862 V C -0.203 175.922 176.094 0.053 0.000 1.052 862 V CA -0.936 61.388 62.300 0.040 0.000 0.885 862 V CB 1.839 33.682 31.823 0.034 0.000 0.999 862 V HN 0.760 nan 8.190 nan 0.000 0.424 863 K N 2.626 123.060 120.400 0.056 0.000 2.221 863 K HA 0.894 5.216 4.320 0.003 0.000 0.243 863 K C -1.496 175.156 176.600 0.086 0.000 0.968 863 K CA -0.890 55.441 56.287 0.074 0.000 0.846 863 K CB 2.618 35.155 32.500 0.062 0.000 1.141 863 K HN 0.388 nan 8.250 nan 0.000 0.434 864 V N 2.849 122.840 119.914 0.129 0.000 2.614 864 V HA 0.209 4.331 4.120 0.003 0.000 0.281 864 V C -0.700 175.528 176.094 0.223 0.000 1.031 864 V CA -0.903 61.480 62.300 0.137 0.000 0.899 864 V CB 1.304 33.187 31.823 0.101 0.000 1.037 864 V HN 0.805 nan 8.190 nan 0.000 0.456 865 R N 3.494 124.102 120.500 0.179 0.000 2.573 865 R HA 0.886 5.228 4.340 0.003 0.000 0.272 865 R C -1.336 175.100 176.300 0.227 0.000 1.009 865 R CA -0.703 55.528 56.100 0.219 0.000 1.059 865 R CB 1.929 32.335 30.300 0.177 0.000 1.112 865 R HN 0.283 nan 8.270 nan 0.000 0.517 866 V N 2.236 122.306 119.914 0.261 0.000 2.419 866 V HA 0.331 4.453 4.120 0.003 0.000 0.287 866 V C 0.163 176.319 176.094 0.104 0.000 1.017 866 V CA -0.941 61.475 62.300 0.194 0.000 0.844 866 V CB 0.988 32.954 31.823 0.238 0.000 1.011 866 V HN 0.776 nan 8.190 nan 0.000 0.429 867 R N 2.440 122.960 120.500 0.034 0.000 2.873 867 R HA 0.251 4.593 4.340 0.003 0.000 0.267 867 R C -0.428 175.794 176.300 -0.130 0.000 1.009 867 R CA 0.751 56.754 56.100 -0.162 0.000 1.152 867 R CB 0.299 30.569 30.300 -0.051 0.000 1.047 867 R HN 0.879 nan 8.270 nan 0.000 0.470 868 D N 1.687 121.966 120.400 -0.202 0.000 2.192 868 D HA 0.100 4.743 4.640 0.003 0.000 0.200 868 D C -1.460 174.807 176.300 -0.055 0.000 1.281 868 D CA -0.290 53.666 54.000 -0.074 0.000 0.895 868 D CB 0.401 41.199 40.800 -0.005 0.000 1.643 868 D HN 0.386 nan 8.370 nan 0.000 0.510 869 L N 3.653 124.876 121.223 -0.001 0.000 2.654 869 L HA 0.204 4.546 4.340 0.003 0.000 0.271 869 L C 0.840 177.720 176.870 0.016 0.000 1.169 869 L CA 0.614 55.480 54.840 0.044 0.000 0.947 869 L CB 0.117 42.228 42.059 0.088 0.000 1.232 869 L HN 0.238 nan 8.230 nan 0.000 0.486 870 R N 5.237 125.732 120.500 -0.007 0.000 2.332 870 R HA 0.454 4.796 4.340 0.003 0.000 0.306 870 R C -0.453 175.856 176.300 0.014 0.000 1.117 870 R CA -0.495 55.611 56.100 0.011 0.000 1.108 870 R CB 0.731 31.053 30.300 0.036 0.000 1.126 870 R HN 0.542 nan 8.270 nan 0.000 0.548 871 I N 3.636 124.226 120.570 0.034 0.000 2.662 871 I HA 0.209 4.381 4.170 0.003 0.000 0.291 871 I C -1.652 174.513 176.117 0.080 0.000 1.046 871 I CA -2.357 58.977 61.300 0.057 0.000 1.361 871 I CB 0.794 38.828 38.000 0.057 0.000 1.429 871 I HN 0.208 nan 8.210 nan 0.000 0.558 872 P HA 0.090 nan 4.420 nan 0.000 0.269 872 P C -0.539 176.797 177.300 0.061 0.000 1.263 872 P CA 0.082 63.261 63.100 0.132 0.000 0.813 872 P CB 0.363 32.161 31.700 0.165 0.000 0.868 873 T N 3.429 118.019 114.554 0.059 0.000 2.910 873 T HA 0.418 4.770 4.350 0.003 0.000 0.279 873 T C 0.568 175.283 174.700 0.024 0.000 0.989 873 T CA -0.441 61.677 62.100 0.029 0.000 0.968 873 T CB 0.415 69.299 68.868 0.027 0.000 1.135 873 T HN 0.125 nan 8.240 nan 0.000 0.562 874 I N 1.987 122.563 120.570 0.010 0.000 2.421 874 I HA 0.423 4.595 4.170 0.003 0.000 0.291 874 I C 1.293 177.429 176.117 0.032 0.000 1.089 874 I CA 0.520 61.827 61.300 0.011 0.000 1.354 874 I CB -0.049 37.954 38.000 0.005 0.000 1.413 874 I HN 0.947 nan 8.210 nan 0.000 0.513 875 G N 3.576 112.404 108.800 0.047 0.000 2.559 875 G HA2 -0.130 3.832 3.960 0.003 0.000 0.202 875 G HA3 -0.130 3.832 3.960 0.003 0.000 0.202 875 G C -0.406 174.545 174.900 0.084 0.000 0.992 875 G CA -0.699 44.435 45.100 0.056 0.000 0.764 875 G HN 0.479 nan 8.290 nan 0.000 0.525 876 D N 1.455 121.936 120.400 0.134 0.000 2.280 876 D HA 0.327 4.969 4.640 0.003 0.000 0.243 876 D C 0.242 176.722 176.300 0.300 0.000 1.129 876 D CA -0.136 53.988 54.000 0.207 0.000 0.848 876 D CB 1.977 42.964 40.800 0.312 0.000 1.107 876 D HN 0.294 nan 8.370 nan 0.000 0.471 877 K N 2.309 122.823 120.400 0.190 0.000 2.412 877 K HA 0.185 4.507 4.320 0.003 0.000 0.281 877 K C -1.041 175.672 176.600 0.187 0.000 1.027 877 K CA 0.090 56.489 56.287 0.187 0.000 0.989 877 K CB 0.335 32.905 32.500 0.116 0.000 0.935 877 K HN 0.174 nan 8.250 nan 0.000 0.475 878 F N 1.522 121.499 119.950 0.046 0.000 2.611 878 F HA 0.686 5.215 4.527 0.004 0.000 0.324 878 F C -0.207 175.693 175.800 0.167 0.000 1.061 878 F CA -0.509 57.531 58.000 0.066 0.000 0.954 878 F CB 2.367 41.348 39.000 -0.030 0.000 1.301 878 F HN 0.609 nan 8.300 nan 0.000 0.482 879 A N 0.660 123.709 122.820 0.382 0.000 2.589 879 A HA 0.654 4.976 4.320 0.003 0.000 0.296 879 A C -0.913 176.686 177.584 0.026 0.000 1.062 879 A CA -0.475 51.709 52.037 0.244 0.000 0.686 879 A CB 1.109 20.193 19.000 0.141 0.000 1.282 879 A HN 0.818 nan 8.150 nan 0.000 0.404 880 S N 0.548 116.142 115.700 -0.176 0.000 2.686 880 S HA 0.537 5.009 4.470 0.003 0.000 0.270 880 S C 0.670 175.233 174.600 -0.062 0.000 1.194 880 S CA -0.410 57.597 58.200 -0.323 0.000 0.990 880 S CB 0.849 63.876 63.200 -0.288 0.000 1.029 880 S HN 0.676 nan 8.310 nan 0.000 0.560 881 R N -0.704 119.764 120.500 -0.054 0.000 2.297 881 R HA 0.160 4.502 4.340 0.003 0.000 0.197 881 R C 0.125 176.226 176.300 -0.331 0.000 0.943 881 R CA 0.524 56.493 56.100 -0.218 0.000 1.038 881 R CB -0.179 29.907 30.300 -0.356 0.000 0.957 881 R HN 0.701 nan 8.270 nan 0.000 0.484 882 H N -1.442 117.586 119.070 -0.070 0.000 2.503 882 H HA 0.345 4.903 4.556 0.003 0.000 0.296 882 H C 0.911 176.210 175.328 -0.049 0.000 1.097 882 H CA 0.081 56.090 56.048 -0.064 0.000 1.055 882 H CB 0.582 30.321 29.762 -0.039 0.000 1.580 882 H HN 0.235 nan 8.280 nan 0.000 0.546 883 G N 0.637 109.475 108.800 0.063 0.000 2.162 883 G HA2 -0.357 3.605 3.960 0.003 0.000 0.260 883 G HA3 -0.357 3.605 3.960 0.003 0.000 0.260 883 G C 0.365 175.344 174.900 0.132 0.000 0.976 883 G CA -0.067 45.093 45.100 0.100 0.000 0.655 883 G HN 0.438 nan 8.290 nan 0.000 0.533 884 Q N 1.045 120.916 119.800 0.118 0.000 2.344 884 Q HA 0.559 4.901 4.340 0.003 0.000 0.253 884 Q C 0.702 176.812 176.000 0.182 0.000 1.050 884 Q CA 0.326 56.217 55.803 0.147 0.000 0.912 884 Q CB 0.265 29.102 28.738 0.166 0.000 1.258 884 Q HN 0.523 nan 8.270 nan 0.000 0.443 885 K N 1.142 121.641 120.400 0.165 0.000 2.267 885 K HA 0.878 5.200 4.320 0.003 0.000 0.236 885 K C -0.626 176.063 176.600 0.148 0.000 1.030 885 K CA -0.556 55.823 56.287 0.154 0.000 0.930 885 K CB 1.469 34.030 32.500 0.102 0.000 1.182 885 K HN 0.764 nan 8.250 nan 0.000 0.474 886 G N -0.077 108.802 108.800 0.130 0.000 2.462 886 G HA2 0.015 3.977 3.960 0.003 0.000 0.424 886 G HA3 0.015 3.977 3.960 0.003 0.000 0.424 886 G C -1.253 173.718 174.900 0.118 0.000 1.573 886 G CA -1.000 44.163 45.100 0.105 0.000 0.913 886 G HN 0.313 nan 8.290 nan 0.000 0.672 887 V N 3.308 123.275 119.914 0.088 0.000 3.133 887 V HA 0.331 4.453 4.120 0.003 0.000 0.305 887 V C 1.292 177.421 176.094 0.058 0.000 1.084 887 V CA -0.821 61.538 62.300 0.098 0.000 1.089 887 V CB 1.404 33.269 31.823 0.070 0.000 1.073 887 V HN 0.647 nan 8.190 nan 0.000 0.477 888 I N 3.408 124.003 120.570 0.042 0.000 2.576 888 I HA 0.014 4.186 4.170 0.003 0.000 0.288 888 I C 1.528 177.644 176.117 -0.001 0.000 1.126 888 I CA 0.850 62.121 61.300 -0.048 0.000 1.362 888 I CB -0.138 37.815 38.000 -0.078 0.000 1.419 888 I HN 0.840 nan 8.210 nan 0.000 0.533 889 G N 6.919 115.729 108.800 0.017 0.000 2.434 889 G HA2 -0.089 3.873 3.960 0.003 0.000 0.214 889 G HA3 -0.089 3.873 3.960 0.003 0.000 0.214 889 G C 0.485 175.439 174.900 0.090 0.000 1.202 889 G CA 0.409 45.569 45.100 0.100 0.000 0.788 889 G HN 0.492 nan 8.290 nan 0.000 0.539 890 M N -1.073 118.518 119.600 -0.015 0.000 2.421 890 M HA 0.645 5.127 4.480 0.003 0.000 0.287 890 M C -2.249 173.960 176.300 -0.152 0.000 1.183 890 M CA -0.756 54.436 55.300 -0.179 0.000 0.916 890 M CB 2.260 34.508 32.600 -0.588 0.000 1.701 890 M HN -0.064 nan 8.290 nan 0.000 0.470 891 L N 5.459 126.594 121.223 -0.147 0.000 2.264 891 L HA 0.568 4.911 4.340 0.003 0.000 0.287 891 L C -1.277 175.534 176.870 -0.098 0.000 1.039 891 L CA -0.034 54.740 54.840 -0.110 0.000 0.829 891 L CB 0.586 42.596 42.059 -0.083 0.000 1.211 891 L HN 0.572 nan 8.230 nan 0.000 0.427 892 I N 6.863 127.392 120.570 -0.069 0.000 2.377 892 I HA 0.422 4.594 4.170 0.003 0.000 0.293 892 I C -2.034 174.080 176.117 -0.005 0.000 0.987 892 I CA -2.352 58.933 61.300 -0.026 0.000 1.185 892 I CB 1.585 39.608 38.000 0.038 0.000 1.341 892 I HN 0.355 nan 8.210 nan 0.000 0.455 893 P HA 0.075 nan 4.420 nan 0.000 0.274 893 P C 0.343 177.663 177.300 0.033 0.000 1.246 893 P CA -0.289 62.819 63.100 0.012 0.000 0.795 893 P CB 1.133 32.841 31.700 0.012 0.000 1.006 894 Q N 0.481 120.298 119.800 0.027 0.000 2.234 894 Q HA -0.118 4.225 4.340 0.003 0.000 0.206 894 Q C 1.552 177.598 176.000 0.077 0.000 0.980 894 Q CA 1.846 57.675 55.803 0.042 0.000 0.869 894 Q CB -0.354 28.396 28.738 0.019 0.000 0.912 894 Q HN 0.338 nan 8.270 nan 0.000 0.436 895 V N -1.898 118.059 119.914 0.071 0.000 2.667 895 V HA -0.135 3.987 4.120 0.003 0.000 0.252 895 V C 0.667 176.848 176.094 0.146 0.000 1.065 895 V CA 1.874 64.232 62.300 0.097 0.000 1.083 895 V CB -0.389 31.474 31.823 0.067 0.000 0.692 895 V HN 0.219 nan 8.190 nan 0.000 0.468 896 D N -0.888 119.591 120.400 0.132 0.000 2.367 896 D HA 0.166 4.808 4.640 0.003 0.000 0.207 896 D C 0.915 177.328 176.300 0.187 0.000 1.034 896 D CA 0.087 54.188 54.000 0.169 0.000 0.861 896 D CB -0.071 40.822 40.800 0.155 0.000 0.943 896 D HN 0.240 nan 8.370 nan 0.000 0.515 897 M N 2.117 121.787 119.600 0.116 0.000 2.245 897 M HA 0.142 4.624 4.480 0.003 0.000 0.344 897 M C -2.234 174.031 176.300 -0.059 0.000 1.170 897 M CA -1.742 53.551 55.300 -0.011 0.000 1.135 897 M CB 0.140 32.755 32.600 0.026 0.000 1.574 897 M HN -0.160 nan 8.290 nan 0.000 0.452 898 P HA 0.046 nan 4.420 nan 0.000 0.266 898 P C -1.169 176.064 177.300 -0.111 0.000 1.419 898 P CA 0.017 62.944 63.100 -0.288 0.000 1.112 898 P CB -0.980 30.465 31.700 -0.424 0.000 1.438 899 Y N 1.814 122.138 120.300 0.040 0.000 2.301 899 Y HA 0.435 4.987 4.550 0.003 0.000 0.328 899 Y C 0.956 176.877 175.900 0.036 0.000 1.242 899 Y CA -1.070 57.068 58.100 0.063 0.000 1.323 899 Y CB -0.538 37.957 38.460 0.057 0.000 1.266 899 Y HN 0.264 nan 8.280 nan 0.000 0.527 900 T N -0.788 113.918 114.554 0.253 0.000 2.833 900 T HA 0.122 4.474 4.350 0.003 0.000 0.312 900 T C 1.104 175.945 174.700 0.234 0.000 1.085 900 T CA -0.087 62.095 62.100 0.137 0.000 0.955 900 T CB 0.607 69.519 68.868 0.074 0.000 1.353 900 T HN 0.800 nan 8.240 nan 0.000 0.544 901 V N -0.410 119.589 119.914 0.141 0.000 3.041 901 V HA 0.199 4.321 4.120 0.003 0.000 0.260 901 V C 0.969 177.088 176.094 0.042 0.000 1.105 901 V CA 1.202 63.543 62.300 0.069 0.000 1.125 901 V CB -0.763 31.093 31.823 0.056 0.000 0.730 901 V HN 0.685 nan 8.190 nan 0.000 0.479 902 K N 0.468 120.919 120.400 0.085 0.000 3.082 902 K HA 0.347 4.669 4.320 0.003 0.000 0.203 902 K C 1.007 177.634 176.600 0.046 0.000 1.177 902 K CA 0.263 56.589 56.287 0.064 0.000 1.041 902 K CB -0.072 32.501 32.500 0.122 0.000 1.312 902 K HN 0.478 nan 8.250 nan 0.000 0.526 903 G N 0.762 109.554 108.800 -0.013 0.000 2.291 903 G HA2 -0.277 3.685 3.960 0.003 0.000 0.287 903 G HA3 -0.277 3.685 3.960 0.003 0.000 0.287 903 G C 0.316 175.236 174.900 0.034 0.000 0.998 903 G CA 0.841 45.915 45.100 -0.043 0.000 0.728 903 G HN 0.291 nan 8.290 nan 0.000 0.519 904 V N -0.069 119.909 119.914 0.106 0.000 2.461 904 V HA 0.581 4.703 4.120 0.003 0.000 0.275 904 V C 0.622 176.861 176.094 0.242 0.000 1.047 904 V CA -0.571 61.814 62.300 0.143 0.000 0.955 904 V CB 1.659 33.582 31.823 0.166 0.000 0.988 904 V HN 0.134 nan 8.190 nan 0.000 0.471 905 V N 6.853 126.868 119.914 0.167 0.000 2.864 905 V HA 0.571 4.693 4.120 0.003 0.000 0.314 905 V C -2.127 173.969 176.094 0.004 0.000 1.073 905 V CA -1.916 60.493 62.300 0.181 0.000 0.956 905 V CB 3.033 34.928 31.823 0.120 0.000 1.023 905 V HN 0.783 nan 8.190 nan 0.000 0.435 906 P HA 0.247 nan 4.420 nan 0.000 0.272 906 P C -0.728 176.456 177.300 -0.192 0.000 1.230 906 P CA 0.020 62.919 63.100 -0.335 0.000 0.788 906 P CB 1.147 32.613 31.700 -0.389 0.000 0.949 907 D N 0.215 120.490 120.400 -0.209 0.000 2.454 907 D HA 0.275 4.918 4.640 0.003 0.000 0.219 907 D C 0.557 176.745 176.300 -0.186 0.000 1.081 907 D CA 0.654 54.569 54.000 -0.142 0.000 0.867 907 D CB 0.951 41.697 40.800 -0.091 0.000 1.054 907 D HN 0.318 nan 8.370 nan 0.000 0.500 908 I N 1.142 121.570 120.570 -0.237 0.000 2.722 908 I HA 0.261 4.433 4.170 0.003 0.000 0.292 908 I C -1.273 174.702 176.117 -0.237 0.000 1.267 908 I CA -0.535 60.582 61.300 -0.304 0.000 1.036 908 I CB 3.141 40.853 38.000 -0.480 0.000 1.281 908 I HN -0.326 nan 8.210 nan 0.000 0.423 909 I N 6.715 127.178 120.570 -0.177 0.000 2.464 909 I HA 0.321 4.493 4.170 0.003 0.000 0.277 909 I C -0.231 175.871 176.117 -0.025 0.000 1.040 909 I CA -0.413 60.843 61.300 -0.075 0.000 1.153 909 I CB 1.412 39.404 38.000 -0.013 0.000 1.274 909 I HN 0.345 nan 8.210 nan 0.000 0.469 910 L N 5.183 126.412 121.223 0.009 0.000 2.439 910 L HA 0.253 4.595 4.340 0.003 0.000 0.269 910 L C 0.150 177.065 176.870 0.076 0.000 1.179 910 L CA -0.001 54.876 54.840 0.062 0.000 0.828 910 L CB 0.939 43.071 42.059 0.122 0.000 1.106 910 L HN 0.589 nan 8.230 nan 0.000 0.467 911 N N 4.472 123.223 118.700 0.083 0.000 2.437 911 N HA 0.268 5.010 4.740 0.003 0.000 0.243 911 N C -1.891 173.661 175.510 0.070 0.000 1.041 911 N CA -1.443 51.663 53.050 0.093 0.000 0.940 911 N CB 1.372 39.930 38.487 0.119 0.000 1.133 911 N HN 0.338 nan 8.380 nan 0.000 0.506 912 P HA -0.257 nan 4.420 nan 0.000 0.219 912 P C 0.490 177.746 177.300 -0.073 0.000 1.147 912 P CA 1.249 64.313 63.100 -0.059 0.000 0.821 912 P CB 0.072 31.703 31.700 -0.116 0.000 0.771 913 H N -1.734 117.348 119.070 0.021 0.000 2.524 913 H HA 0.197 4.755 4.556 0.003 0.000 0.282 913 H C 1.623 176.959 175.328 0.014 0.000 1.016 913 H CA 1.194 57.251 56.048 0.014 0.000 1.270 913 H CB -0.140 29.632 29.762 0.016 0.000 1.394 913 H HN 0.098 nan 8.280 nan 0.000 0.568 914 A N -0.041 122.856 122.820 0.129 0.000 2.308 914 A HA 0.097 4.419 4.320 0.003 0.000 0.217 914 A C 1.837 179.454 177.584 0.054 0.000 1.216 914 A CA -0.052 52.038 52.037 0.088 0.000 0.864 914 A CB 0.011 19.063 19.000 0.086 0.000 0.902 914 A HN 0.076 nan 8.150 nan 0.000 0.499 915 L N 0.751 121.993 121.223 0.033 0.000 2.042 915 L HA 0.092 4.434 4.340 0.003 0.000 0.204 915 L C -0.287 176.580 176.870 -0.005 0.000 1.130 915 L CA 1.609 56.447 54.840 -0.004 0.000 0.779 915 L CB -1.399 40.634 42.059 -0.043 0.000 0.918 915 L HN 0.130 nan 8.230 nan 0.000 0.450 916 P HA -0.299 nan 4.420 nan 0.000 0.210 916 P C 1.764 179.065 177.300 0.002 0.000 1.151 916 P CA 3.012 66.108 63.100 -0.007 0.000 0.949 916 P CB -0.421 31.279 31.700 -0.000 0.000 0.786 917 S N 0.326 116.035 115.700 0.016 0.000 2.408 917 S HA -0.234 4.238 4.470 0.003 0.000 0.241 917 S C 1.697 176.300 174.600 0.005 0.000 1.080 917 S CA 1.522 59.731 58.200 0.015 0.000 1.109 917 S CB -1.112 62.103 63.200 0.026 0.000 0.966 917 S HN 0.110 nan 8.310 nan 0.000 0.449 918 R N 1.454 121.958 120.500 0.006 0.000 2.426 918 R HA 0.387 4.729 4.340 0.003 0.000 0.263 918 R C 0.207 176.495 176.300 -0.020 0.000 0.961 918 R CA -0.096 56.000 56.100 -0.006 0.000 1.086 918 R CB -1.332 28.974 30.300 0.010 0.000 1.186 918 R HN 0.679 nan 8.270 nan 0.000 0.537 919 M N 1.787 121.377 119.600 -0.017 0.000 3.543 919 M HA -0.187 4.295 4.480 0.003 0.000 0.161 919 M C -0.446 175.841 176.300 -0.021 0.000 1.453 919 M CA 1.222 56.509 55.300 -0.021 0.000 0.944 919 M CB -1.594 30.994 32.600 -0.021 0.000 1.310 919 M HN 0.120 nan 8.290 nan 0.000 0.519 920 T N 0.187 114.729 114.554 -0.020 0.000 3.305 920 T HA 0.553 4.905 4.350 0.003 0.000 0.348 920 T C 0.302 174.984 174.700 -0.030 0.000 1.394 920 T CA -1.109 60.987 62.100 -0.007 0.000 1.549 920 T CB 0.848 69.719 68.868 0.004 0.000 0.962 920 T HN 0.409 nan 8.240 nan 0.000 0.609 921 L N 1.625 122.844 121.223 -0.006 0.000 2.356 921 L HA 0.395 4.737 4.340 0.003 0.000 0.165 921 L C 2.308 179.134 176.870 -0.074 0.000 0.926 921 L CA 1.873 56.691 54.840 -0.036 0.000 1.088 921 L CB -1.236 40.844 42.059 0.035 0.000 1.518 921 L HN 0.930 nan 8.230 nan 0.000 0.470 922 G N -0.669 108.059 108.800 -0.119 0.000 2.382 922 G HA2 -0.428 3.534 3.960 0.003 0.000 0.259 922 G HA3 -0.428 3.534 3.960 0.003 0.000 0.259 922 G C 1.190 175.910 174.900 -0.300 0.000 1.009 922 G CA 1.290 46.307 45.100 -0.138 0.000 0.625 922 G HN 0.626 nan 8.290 nan 0.000 0.541 923 Q N 0.089 119.591 119.800 -0.496 0.000 2.302 923 Q HA 0.335 4.677 4.340 0.003 0.000 0.202 923 Q C 2.555 178.451 176.000 -0.174 0.000 0.936 923 Q CA 1.103 56.568 55.803 -0.564 0.000 0.886 923 Q CB -0.110 28.365 28.738 -0.438 0.000 0.986 923 Q HN 0.700 nan 8.270 nan 0.000 0.487 924 I N -0.173 120.292 120.570 -0.174 0.000 2.876 924 I HA -0.146 4.026 4.170 0.003 0.000 0.264 924 I C 1.980 178.110 176.117 0.021 0.000 1.204 924 I CA 0.616 61.832 61.300 -0.139 0.000 1.485 924 I CB -0.099 37.733 38.000 -0.280 0.000 1.103 924 I HN 0.312 nan 8.210 nan 0.000 0.446 925 M N -0.011 119.526 119.600 -0.104 0.000 2.216 925 M HA -0.104 4.378 4.480 0.003 0.000 0.264 925 M C 2.270 178.598 176.300 0.047 0.000 1.080 925 M CA 1.333 56.524 55.300 -0.182 0.000 1.153 925 M CB -0.379 31.810 32.600 -0.684 0.000 1.356 925 M HN 0.118 nan 8.290 nan 0.000 0.432 926 E N 0.570 120.864 120.200 0.157 0.000 2.118 926 E HA -0.167 4.185 4.350 0.003 0.000 0.195 926 E C 1.964 178.692 176.600 0.213 0.000 0.992 926 E CA 1.525 58.103 56.400 0.298 0.000 0.804 926 E CB -0.046 29.816 29.700 0.270 0.000 0.741 926 E HN 0.549 nan 8.360 nan 0.000 0.458 927 G N 1.084 110.003 108.800 0.198 0.000 2.394 927 G HA2 -0.192 3.770 3.960 0.003 0.000 0.214 927 G HA3 -0.192 3.770 3.960 0.003 0.000 0.214 927 G C 1.651 176.630 174.900 0.132 0.000 1.176 927 G CA 0.471 45.690 45.100 0.197 0.000 0.786 927 G HN 0.195 nan 8.290 nan 0.000 0.533 928 I N 1.511 122.197 120.570 0.194 0.000 2.286 928 I HA -0.185 3.987 4.170 0.003 0.000 0.248 928 I C 3.278 179.481 176.117 0.144 0.000 1.115 928 I CA 0.888 62.273 61.300 0.142 0.000 1.392 928 I CB -0.149 37.949 38.000 0.163 0.000 1.065 928 I HN 0.246 nan 8.210 nan 0.000 0.418 929 A N 0.954 123.886 122.820 0.187 0.000 1.883 929 A HA -0.166 4.156 4.320 0.003 0.000 0.217 929 A C 2.459 180.144 177.584 0.169 0.000 1.186 929 A CA 1.961 54.146 52.037 0.246 0.000 0.624 929 A CB -1.524 17.678 19.000 0.337 0.000 0.822 929 A HN 0.454 nan 8.150 nan 0.000 0.444 930 G N -0.489 108.385 108.800 0.123 0.000 2.462 930 G HA2 -0.278 3.684 3.960 0.003 0.000 0.220 930 G HA3 -0.278 3.684 3.960 0.003 0.000 0.220 930 G C 1.595 176.493 174.900 -0.003 0.000 1.121 930 G CA 1.601 46.736 45.100 0.059 0.000 0.758 930 G HN 0.535 nan 8.290 nan 0.000 0.559 931 K N 0.087 120.490 120.400 0.005 0.000 1.973 931 K HA -0.108 4.214 4.320 0.003 0.000 0.212 931 K C 0.946 177.524 176.600 -0.037 0.000 1.047 931 K CA 0.316 56.576 56.287 -0.045 0.000 0.937 931 K CB -0.665 31.819 32.500 -0.025 0.000 0.721 931 K HN 0.240 nan 8.250 nan 0.000 0.440 932 Y N 0.272 120.540 120.300 -0.054 0.000 2.644 932 Y HA 0.306 4.859 4.550 0.004 0.000 0.354 932 Y C 0.074 175.927 175.900 -0.079 0.000 1.166 932 Y CA 0.274 58.315 58.100 -0.099 0.000 1.591 932 Y CB -0.182 38.251 38.460 -0.045 0.000 1.346 932 Y HN 0.293 nan 8.280 nan 0.000 0.497 933 A N 3.350 125.838 122.820 -0.552 0.000 2.435 933 A HA 0.155 4.477 4.320 0.003 0.000 0.212 933 A C 1.251 178.668 177.584 -0.279 0.000 2.733 933 A CA 0.288 52.056 52.037 -0.449 0.000 1.528 933 A CB -1.391 17.484 19.000 -0.208 0.000 0.652 933 A HN 0.958 nan 8.150 nan 0.000 0.495 934 A N -0.314 122.379 122.820 -0.213 0.000 2.220 934 A HA 0.611 4.934 4.320 0.003 0.000 0.211 934 A C 1.625 179.128 177.584 -0.134 0.000 1.176 934 A CA 1.274 53.227 52.037 -0.138 0.000 0.834 934 A CB -0.275 18.661 19.000 -0.106 0.000 0.868 934 A HN 0.539 nan 8.150 nan 0.000 0.488 935 L N -1.011 120.081 121.223 -0.218 0.000 2.526 935 L HA 0.037 4.379 4.340 0.003 0.000 0.210 935 L C 2.627 179.266 176.870 -0.385 0.000 1.048 935 L CA 1.033 55.772 54.840 -0.169 0.000 0.852 935 L CB -0.172 41.820 42.059 -0.111 0.000 1.128 935 L HN 0.374 nan 8.230 nan 0.000 0.482 936 S N -0.335 114.931 115.700 -0.723 0.000 2.377 936 S HA 0.147 4.619 4.470 0.003 0.000 0.223 936 S C 1.663 176.110 174.600 -0.255 0.000 1.030 936 S CA 0.910 58.696 58.200 -0.691 0.000 0.970 936 S CB 0.272 62.918 63.200 -0.923 0.000 0.830 936 S HN 0.508 nan 8.310 nan 0.000 0.473 937 G N 2.585 111.224 108.800 -0.269 0.000 2.424 937 G HA2 -0.222 3.740 3.960 0.003 0.000 0.207 937 G HA3 -0.222 3.740 3.960 0.003 0.000 0.207 937 G C -0.047 174.774 174.900 -0.131 0.000 1.061 937 G CA -0.153 44.868 45.100 -0.132 0.000 0.657 937 G HN 0.744 nan 8.290 nan 0.000 0.508 938 N N 1.523 120.124 118.700 -0.166 0.000 2.503 938 N HA 0.423 5.165 4.740 0.003 0.000 0.267 938 N C -0.155 175.270 175.510 -0.142 0.000 1.214 938 N CA -0.182 52.806 53.050 -0.103 0.000 0.959 938 N CB 1.561 40.027 38.487 -0.035 0.000 1.142 938 N HN 0.342 nan 8.380 nan 0.000 0.455 939 I N 1.537 122.073 120.570 -0.057 0.000 2.281 939 I HA 0.026 4.198 4.170 0.003 0.000 0.293 939 I C 0.766 176.890 176.117 0.012 0.000 1.085 939 I CA -0.817 60.459 61.300 -0.039 0.000 1.257 939 I CB 1.104 39.099 38.000 -0.009 0.000 1.430 939 I HN 0.304 nan 8.210 nan 0.000 0.489 940 V N 7.042 126.979 119.914 0.039 0.000 2.901 940 V HA -0.026 4.096 4.120 0.003 0.000 0.307 940 V C 0.204 176.362 176.094 0.107 0.000 1.084 940 V CA 0.397 62.797 62.300 0.166 0.000 1.184 940 V CB 1.242 33.267 31.823 0.338 0.000 0.941 940 V HN 0.776 nan 8.190 nan 0.000 0.493 941 D N 4.934 125.405 120.400 0.118 0.000 2.181 941 D HA 0.586 5.228 4.640 0.003 0.000 0.248 941 D C -0.613 175.640 176.300 -0.079 0.000 1.020 941 D CA -0.162 53.842 54.000 0.006 0.000 0.891 941 D CB 2.016 42.819 40.800 0.005 0.000 1.187 941 D HN 0.831 nan 8.370 nan 0.000 0.443 942 A N 2.828 125.445 122.820 -0.338 0.000 2.815 942 A HA 0.485 4.807 4.320 0.003 0.000 0.318 942 A C -0.453 176.765 177.584 -0.609 0.000 1.186 942 A CA -0.637 50.924 52.037 -0.794 0.000 0.754 942 A CB 0.493 18.619 19.000 -1.457 0.000 1.151 942 A HN 0.455 nan 8.150 nan 0.000 0.452 943 T N 1.493 115.814 114.554 -0.389 0.000 2.950 943 T HA 0.469 4.822 4.350 0.003 0.000 0.288 943 T C -2.413 172.173 174.700 -0.190 0.000 1.035 943 T CA -1.565 60.381 62.100 -0.257 0.000 1.028 943 T CB 1.400 70.173 68.868 -0.159 0.000 1.109 943 T HN 0.143 nan 8.240 nan 0.000 0.514 944 P HA 0.200 nan 4.420 nan 0.000 0.310 944 P C -0.674 176.760 177.300 0.223 0.000 1.512 944 P CA 0.632 63.722 63.100 -0.018 0.000 0.753 944 P CB -0.466 31.159 31.700 -0.125 0.000 1.608 945 F N -2.705 117.187 119.950 -0.096 0.000 3.098 945 F HA 0.114 4.643 4.527 0.003 0.000 0.473 945 F C 0.161 176.005 175.800 0.073 0.000 0.900 945 F CA -1.118 56.877 58.000 -0.009 0.000 1.207 945 F CB -1.018 37.939 39.000 -0.072 0.000 2.914 945 F HN -0.162 nan 8.300 nan 0.000 0.504 946 Y N 1.303 121.639 120.300 0.061 0.000 3.401 946 Y HA -0.438 4.115 4.550 0.004 0.000 0.365 946 Y C 1.768 177.682 175.900 0.023 0.000 1.178 946 Y CA 2.028 60.153 58.100 0.040 0.000 1.397 946 Y CB 0.577 39.059 38.460 0.038 0.000 1.109 946 Y HN 0.510 nan 8.280 nan 0.000 0.619 947 K N -0.525 120.315 120.400 0.734 0.000 2.267 947 K HA 0.152 4.474 4.320 0.003 0.000 0.213 947 K C -0.425 176.217 176.600 0.071 0.000 1.060 947 K CA 1.193 57.664 56.287 0.306 0.000 0.935 947 K CB 0.599 33.282 32.500 0.305 0.000 1.096 947 K HN 0.585 nan 8.250 nan 0.000 0.468 948 T N 4.688 119.133 114.554 -0.182 0.000 3.077 948 T HA 0.300 4.652 4.350 0.003 0.000 0.359 948 T C -2.889 171.116 174.700 -1.157 0.000 1.108 948 T CA -1.403 60.428 62.100 -0.448 0.000 1.170 948 T CB 1.601 70.324 68.868 -0.241 0.000 1.045 948 T HN 0.187 nan 8.240 nan 0.000 0.505 949 P HA -0.041 nan 4.420 nan 0.000 0.259 949 P C 1.488 178.438 177.300 -0.584 0.000 1.155 949 P CA 0.056 62.562 63.100 -0.990 0.000 0.759 949 P CB 0.322 31.819 31.700 -0.339 0.000 0.753 950 I N 2.490 122.876 120.570 -0.306 0.000 2.181 950 I HA -0.426 3.746 4.170 0.003 0.000 0.240 950 I C 1.946 178.005 176.117 -0.097 0.000 1.006 950 I CA 1.914 63.175 61.300 -0.065 0.000 1.284 950 I CB -1.586 36.425 38.000 0.017 0.000 0.990 950 I HN 0.292 nan 8.210 nan 0.000 0.408 951 E N 1.103 121.252 120.200 -0.085 0.000 2.271 951 E HA -0.356 3.996 4.350 0.003 0.000 0.209 951 E C 2.063 178.610 176.600 -0.089 0.000 1.046 951 E CA 2.393 58.752 56.400 -0.068 0.000 0.840 951 E CB -0.662 28.998 29.700 -0.066 0.000 0.738 951 E HN 0.784 nan 8.360 nan 0.000 0.470 952 Q N 0.092 119.804 119.800 -0.147 0.000 2.036 952 Q HA 0.063 4.405 4.340 0.003 0.000 0.195 952 Q C 2.699 178.579 176.000 -0.201 0.000 0.971 952 Q CA 0.474 56.177 55.803 -0.166 0.000 0.826 952 Q CB -0.074 28.540 28.738 -0.208 0.000 0.896 952 Q HN 0.229 nan 8.270 nan 0.000 0.449 953 L N 1.044 122.113 121.223 -0.256 0.000 2.021 953 L HA -0.325 4.017 4.340 0.003 0.000 0.215 953 L C 2.518 179.306 176.870 -0.136 0.000 1.074 953 L CA 1.570 56.212 54.840 -0.330 0.000 0.760 953 L CB -0.764 41.221 42.059 -0.124 0.000 0.889 953 L HN 0.356 nan 8.230 nan 0.000 0.433 954 Q N -0.163 119.608 119.800 -0.050 0.000 2.077 954 Q HA -0.231 4.111 4.340 0.003 0.000 0.206 954 Q C 2.070 178.082 176.000 0.020 0.000 0.989 954 Q CA 1.698 57.510 55.803 0.014 0.000 0.853 954 Q CB -0.302 28.445 28.738 0.015 0.000 0.907 954 Q HN 0.556 nan 8.270 nan 0.000 0.418 955 N N 0.304 118.993 118.700 -0.018 0.000 2.205 955 N HA -0.154 4.588 4.740 0.003 0.000 0.186 955 N C 1.529 177.064 175.510 0.043 0.000 1.015 955 N CA 1.000 54.052 53.050 0.002 0.000 0.862 955 N CB -0.036 38.437 38.487 -0.025 0.000 0.986 955 N HN 0.319 nan 8.380 nan 0.000 0.429 956 E N 1.113 121.329 120.200 0.027 0.000 2.076 956 E HA -0.030 4.322 4.350 0.003 0.000 0.190 956 E C 2.071 178.873 176.600 0.337 0.000 0.979 956 E CA 0.386 56.884 56.400 0.163 0.000 0.807 956 E CB -0.113 29.596 29.700 0.015 0.000 0.761 956 E HN 0.534 nan 8.360 nan 0.000 0.454 957 I N -0.298 120.421 120.570 0.249 0.000 3.010 957 I HA -0.101 4.071 4.170 0.003 0.000 0.271 957 I C 2.324 178.626 176.117 0.309 0.000 1.293 957 I CA 0.718 62.201 61.300 0.305 0.000 1.452 957 I CB -0.408 37.725 38.000 0.221 0.000 1.082 957 I HN -0.001 nan 8.210 nan 0.000 0.484 958 L N 0.953 122.306 121.223 0.216 0.000 2.189 958 L HA 0.060 4.402 4.340 0.003 0.000 0.199 958 L C 2.769 179.712 176.870 0.120 0.000 1.074 958 L CA 0.753 55.676 54.840 0.138 0.000 0.783 958 L CB -0.123 41.988 42.059 0.086 0.000 0.955 958 L HN 0.015 nan 8.230 nan 0.000 0.460 959 R N -0.703 119.881 120.500 0.140 0.000 2.127 959 R HA -0.190 4.152 4.340 0.003 0.000 0.238 959 R C 1.849 178.161 176.300 0.021 0.000 1.134 959 R CA 1.830 57.972 56.100 0.069 0.000 0.975 959 R CB -0.582 29.768 30.300 0.083 0.000 0.865 959 R HN 0.426 nan 8.270 nan 0.000 0.447 960 Y N -1.669 118.690 120.300 0.098 0.000 2.544 960 Y HA 0.155 4.707 4.550 0.004 0.000 0.286 960 Y C 1.384 177.325 175.900 0.067 0.000 1.141 960 Y CA 1.104 59.279 58.100 0.125 0.000 1.299 960 Y CB 0.737 39.325 38.460 0.213 0.000 1.030 960 Y HN 0.253 nan 8.280 nan 0.000 0.543 961 G N -1.574 107.262 108.800 0.059 0.000 2.148 961 G HA2 -0.172 3.790 3.960 0.003 0.000 0.120 961 G HA3 -0.172 3.790 3.960 0.003 0.000 0.120 961 G C -0.745 173.626 174.900 -0.881 0.000 1.034 961 G CA -0.677 44.220 45.100 -0.338 0.000 0.710 961 G HN 0.206 nan 8.290 nan 0.000 0.495 962 Y N -0.766 119.591 120.300 0.096 0.000 2.544 962 Y HA 0.609 5.161 4.550 0.004 0.000 0.342 962 Y C 0.749 176.687 175.900 0.064 0.000 1.062 962 Y CA -1.269 56.875 58.100 0.073 0.000 1.023 962 Y CB 1.134 39.640 38.460 0.076 0.000 1.308 962 Y HN 0.101 nan 8.280 nan 0.000 0.457 963 L N 4.183 125.519 121.223 0.188 0.000 2.559 963 L HA -0.019 4.323 4.340 0.003 0.000 0.282 963 L C -1.532 175.416 176.870 0.129 0.000 1.232 963 L CA -0.876 54.037 54.840 0.122 0.000 0.885 963 L CB 0.117 42.236 42.059 0.100 0.000 1.131 963 L HN 0.507 nan 8.230 nan 0.000 0.498 964 P HA -0.201 nan 4.420 nan 0.000 0.217 964 P C 0.058 177.414 177.300 0.094 0.000 1.158 964 P CA 1.441 64.591 63.100 0.084 0.000 0.887 964 P CB 0.139 31.873 31.700 0.057 0.000 0.792 965 D N -2.113 118.348 120.400 0.101 0.000 3.139 965 D HA 0.406 5.048 4.640 0.003 0.000 0.268 965 D C 0.881 177.289 176.300 0.180 0.000 1.322 965 D CA 0.136 54.216 54.000 0.133 0.000 0.940 965 D CB -0.911 39.956 40.800 0.110 0.000 1.050 965 D HN -0.027 nan 8.370 nan 0.000 0.503 966 A N 0.731 123.635 122.820 0.140 0.000 2.883 966 A HA -0.314 4.008 4.320 0.003 0.000 0.293 966 A C 1.229 178.844 177.584 0.053 0.000 1.247 966 A CA 1.926 54.001 52.037 0.062 0.000 1.103 966 A CB -2.102 16.845 19.000 -0.089 0.000 0.806 966 A HN 0.442 nan 8.150 nan 0.000 0.529 967 T N -0.211 114.419 114.554 0.128 0.000 2.908 967 T HA 0.430 4.782 4.350 0.003 0.000 0.301 967 T C -0.091 174.641 174.700 0.054 0.000 1.019 967 T CA 0.493 62.656 62.100 0.106 0.000 1.152 967 T CB 0.889 69.819 68.868 0.103 0.000 0.966 967 T HN 0.551 nan 8.240 nan 0.000 0.540 968 E N 0.848 121.034 120.200 -0.023 0.000 2.312 968 E HA 0.522 4.875 4.350 0.003 0.000 0.267 968 E C -0.935 175.579 176.600 -0.144 0.000 0.894 968 E CA -1.119 55.247 56.400 -0.056 0.000 0.773 968 E CB 2.749 32.393 29.700 -0.094 0.000 1.241 968 E HN 0.477 nan 8.360 nan 0.000 0.432 969 V N 2.766 122.633 119.914 -0.078 0.000 2.546 969 V HA 0.455 4.577 4.120 0.003 0.000 0.284 969 V C -0.344 175.688 176.094 -0.102 0.000 1.050 969 V CA -0.128 62.120 62.300 -0.087 0.000 0.981 969 V CB 1.132 32.948 31.823 -0.012 0.000 0.990 969 V HN 0.497 nan 8.190 nan 0.000 0.474 970 V N 4.818 124.626 119.914 -0.177 0.000 3.141 970 V HA 0.696 4.818 4.120 0.003 0.000 0.312 970 V C -1.623 174.342 176.094 -0.214 0.000 1.157 970 V CA -0.951 61.261 62.300 -0.148 0.000 1.041 970 V CB 2.068 33.679 31.823 -0.354 0.000 1.071 970 V HN 0.748 nan 8.190 nan 0.000 0.441 971 Y N 0.255 120.275 120.300 -0.467 0.000 2.341 971 Y HA 0.483 5.036 4.550 0.003 0.000 0.338 971 Y C 0.273 175.784 175.900 -0.649 0.000 0.965 971 Y CA -0.833 56.908 58.100 -0.599 0.000 1.108 971 Y CB 1.438 39.397 38.460 -0.835 0.000 1.180 971 Y HN 0.845 nan 8.280 nan 0.000 0.458 972 D N 2.970 123.215 120.400 -0.259 0.000 2.606 972 D HA 0.012 4.654 4.640 0.003 0.000 0.234 972 D C 1.605 177.876 176.300 -0.049 0.000 1.140 972 D CA 0.581 54.533 54.000 -0.080 0.000 1.182 972 D CB -0.036 40.790 40.800 0.043 0.000 1.130 972 D HN 0.930 nan 8.370 nan 0.000 0.485 973 G N 3.015 111.726 108.800 -0.150 0.000 2.657 973 G HA2 -0.375 3.587 3.960 0.003 0.000 0.224 973 G HA3 -0.375 3.587 3.960 0.003 0.000 0.224 973 G C 1.537 176.538 174.900 0.168 0.000 1.086 973 G CA 1.042 46.211 45.100 0.116 0.000 0.730 973 G HN 0.610 nan 8.290 nan 0.000 0.602 974 R N -0.455 120.139 120.500 0.158 0.000 2.241 974 R HA 0.011 4.353 4.340 0.003 0.000 0.224 974 R C 2.060 178.422 176.300 0.104 0.000 1.101 974 R CA 1.823 58.008 56.100 0.142 0.000 0.995 974 R CB -0.513 29.884 30.300 0.161 0.000 0.870 974 R HN 0.387 nan 8.270 nan 0.000 0.463 975 T N -2.607 112.005 114.554 0.097 0.000 3.115 975 T HA 0.272 4.624 4.350 0.003 0.000 0.256 975 T C 1.174 175.934 174.700 0.100 0.000 0.970 975 T CA 0.845 62.992 62.100 0.079 0.000 1.010 975 T CB 0.527 69.427 68.868 0.053 0.000 1.151 975 T HN 0.443 nan 8.240 nan 0.000 0.479 976 G N 1.898 110.768 108.800 0.117 0.000 2.154 976 G HA2 -0.118 3.844 3.960 0.003 0.000 0.186 976 G HA3 -0.118 3.844 3.960 0.003 0.000 0.186 976 G C -0.202 174.829 174.900 0.219 0.000 1.000 976 G CA 0.152 45.368 45.100 0.193 0.000 0.664 976 G HN 0.957 nan 8.290 nan 0.000 0.513 977 Q N 0.288 120.151 119.800 0.105 0.000 2.309 977 Q HA 0.642 4.984 4.340 0.003 0.000 0.264 977 Q C 0.065 175.915 176.000 -0.251 0.000 1.008 977 Q CA -1.022 54.798 55.803 0.028 0.000 0.853 977 Q CB 1.650 30.384 28.738 -0.008 0.000 1.314 977 Q HN 0.461 nan 8.270 nan 0.000 0.448 978 K N 2.078 122.097 120.400 -0.635 0.000 2.368 978 K HA 0.228 4.550 4.320 0.003 0.000 0.282 978 K C 0.091 176.382 176.600 -0.516 0.000 1.035 978 K CA -0.647 54.931 56.287 -1.181 0.000 0.973 978 K CB 0.241 31.895 32.500 -1.411 0.000 0.957 978 K HN 0.636 nan 8.250 nan 0.000 0.474 979 I N 0.190 120.510 120.570 -0.416 0.000 3.434 979 I HA -0.018 4.154 4.170 0.003 0.000 0.212 979 I C 0.926 176.933 176.117 -0.184 0.000 1.348 979 I CA 0.083 61.255 61.300 -0.214 0.000 0.948 979 I CB 0.293 38.201 38.000 -0.153 0.000 1.607 979 I HN 0.828 nan 8.210 nan 0.000 0.907 980 K N -0.800 119.535 120.400 -0.109 0.000 2.355 980 K HA 0.317 4.639 4.320 0.003 0.000 0.198 980 K C 0.060 176.621 176.600 -0.066 0.000 1.039 980 K CA 0.246 56.481 56.287 -0.086 0.000 1.075 980 K CB 0.428 32.893 32.500 -0.058 0.000 0.870 980 K HN 0.711 nan 8.250 nan 0.000 0.540 981 S N 0.907 116.571 115.700 -0.061 0.000 2.472 981 S HA 0.290 4.762 4.470 0.003 0.000 0.191 981 S C -0.957 173.620 174.600 -0.039 0.000 1.244 981 S CA -0.552 57.624 58.200 -0.041 0.000 1.227 981 S CB 0.519 63.705 63.200 -0.023 0.000 1.381 981 S HN 0.339 nan 8.310 nan 0.000 0.394 982 R N 0.922 121.386 120.500 -0.060 0.000 3.819 982 R HA -0.145 4.197 4.340 0.003 0.000 0.488 982 R C -0.946 175.314 176.300 -0.068 0.000 0.241 982 R CA 0.993 57.056 56.100 -0.061 0.000 1.530 982 R CB -0.496 29.795 30.300 -0.015 0.000 1.019 982 R HN 0.404 nan 8.270 nan 0.000 0.557 983 I N -0.992 119.552 120.570 -0.043 0.000 2.784 983 I HA -0.021 4.151 4.170 0.003 0.000 0.274 983 I C -1.003 175.189 176.117 0.126 0.000 1.578 983 I CA -0.421 60.888 61.300 0.015 0.000 1.200 983 I CB 0.355 38.305 38.000 -0.084 0.000 1.592 983 I HN 0.670 nan 8.210 nan 0.000 0.409 984 Y N 7.179 127.534 120.300 0.091 0.000 2.895 984 Y HA 0.096 4.648 4.550 0.003 0.000 0.334 984 Y C -1.046 175.063 175.900 0.348 0.000 1.261 984 Y CA 1.140 59.328 58.100 0.147 0.000 1.560 984 Y CB 0.264 38.781 38.460 0.095 0.000 1.253 984 Y HN 0.336 nan 8.280 nan 0.000 0.582 985 F N 6.072 125.746 119.950 -0.460 0.000 2.810 985 F HA 0.488 5.017 4.527 0.004 0.000 0.373 985 F C 0.298 175.752 175.800 -0.576 0.000 1.174 985 F CA -0.854 56.915 58.000 -0.385 0.000 1.141 985 F CB 0.980 39.867 39.000 -0.187 0.000 1.420 985 F HN 0.665 nan 8.300 nan 0.000 0.518 986 G N 1.388 109.809 108.800 -0.631 0.000 2.820 986 G HA2 0.645 4.608 3.960 0.003 0.000 0.291 986 G HA3 0.645 4.608 3.960 0.003 0.000 0.291 986 G C -1.562 173.228 174.900 -0.184 0.000 1.323 986 G CA -0.783 44.058 45.100 -0.433 0.000 1.055 986 G HN 0.161 nan 8.290 nan 0.000 0.520 987 V N 0.220 120.093 119.914 -0.067 0.000 2.376 987 V HA 0.540 4.662 4.120 0.003 0.000 0.287 987 V C -0.397 175.754 176.094 0.096 0.000 1.015 987 V CA -0.569 61.729 62.300 -0.004 0.000 0.834 987 V CB 0.957 32.771 31.823 -0.016 0.000 1.001 987 V HN 0.462 nan 8.190 nan 0.000 0.428 988 V N 4.199 124.207 119.914 0.156 0.000 3.001 988 V HA 0.477 4.599 4.120 0.003 0.000 0.314 988 V C -1.173 175.105 176.094 0.305 0.000 1.099 988 V CA -0.951 61.492 62.300 0.238 0.000 0.989 988 V CB 2.748 34.724 31.823 0.254 0.000 1.040 988 V HN 0.770 nan 8.190 nan 0.000 0.434 989 Y N 2.967 123.358 120.300 0.153 0.000 2.316 989 Y HA 0.500 5.052 4.550 0.003 0.000 0.331 989 Y C -1.100 174.871 175.900 0.120 0.000 1.083 989 Y CA 0.000 58.196 58.100 0.160 0.000 1.206 989 Y CB 0.723 39.245 38.460 0.103 0.000 1.195 989 Y HN 0.570 nan 8.280 nan 0.000 0.497 990 Y N 5.063 125.367 120.300 0.006 0.000 2.346 990 Y HA 0.279 4.831 4.550 0.003 0.000 0.332 990 Y C -0.779 175.203 175.900 0.137 0.000 0.985 990 Y CA -0.874 57.321 58.100 0.159 0.000 1.112 990 Y CB 1.504 40.089 38.460 0.208 0.000 1.170 990 Y HN 0.555 nan 8.280 nan 0.000 0.447 991 Q N 3.354 123.301 119.800 0.245 0.000 2.235 991 Q HA 0.432 4.774 4.340 0.003 0.000 0.256 991 Q C -0.945 175.086 176.000 0.053 0.000 0.951 991 Q CA -1.258 54.665 55.803 0.200 0.000 0.890 991 Q CB 2.440 31.308 28.738 0.216 0.000 1.279 991 Q HN 0.332 nan 8.270 nan 0.000 0.444 992 K N 3.326 123.666 120.400 -0.101 0.000 2.253 992 K HA 0.217 4.539 4.320 0.003 0.000 0.277 992 K C -0.939 175.432 176.600 -0.381 0.000 1.053 992 K CA -0.481 55.410 56.287 -0.661 0.000 0.892 992 K CB 0.616 32.790 32.500 -0.543 0.000 1.102 992 K HN 0.575 nan 8.250 nan 0.000 0.469 993 L N 3.271 124.273 121.223 -0.368 0.000 2.470 993 L HA 0.124 4.466 4.340 0.003 0.000 0.243 993 L C 1.558 178.346 176.870 -0.137 0.000 1.227 993 L CA 0.361 55.112 54.840 -0.148 0.000 0.824 993 L CB 0.041 42.129 42.059 0.048 0.000 1.175 993 L HN 0.727 nan 8.230 nan 0.000 0.503 994 H N -2.967 115.879 119.070 -0.374 0.000 2.519 994 H HA 0.229 4.787 4.556 0.003 0.000 0.289 994 H C -0.290 174.855 175.328 -0.304 0.000 1.040 994 H CA -0.215 55.580 56.048 -0.421 0.000 1.165 994 H CB -0.436 28.988 29.762 -0.564 0.000 1.462 994 H HN 0.554 nan 8.280 nan 0.000 0.555 995 H N 1.443 120.472 119.070 -0.068 0.000 2.423 995 H HA 0.242 4.801 4.556 0.004 0.000 0.227 995 H C -0.310 174.983 175.328 -0.057 0.000 1.596 995 H CA -0.464 55.507 56.048 -0.129 0.000 1.207 995 H CB 0.116 29.818 29.762 -0.100 0.000 1.595 995 H HN 0.337 nan 8.280 nan 0.000 0.534 996 M N 0.808 120.432 119.600 0.040 0.000 2.185 996 M HA -0.003 4.479 4.480 0.003 0.000 0.357 996 M C 1.525 177.834 176.300 0.016 0.000 1.260 996 M CA -0.136 55.189 55.300 0.042 0.000 1.124 996 M CB 1.889 34.513 32.600 0.041 0.000 1.600 996 M HN 0.367 nan 8.290 nan 0.000 0.467 997 V N 4.026 123.957 119.914 0.028 0.000 2.278 997 V HA -0.330 3.792 4.120 0.003 0.000 0.251 997 V C 2.139 178.222 176.094 -0.018 0.000 1.062 997 V CA 2.876 65.183 62.300 0.011 0.000 1.038 997 V CB -0.448 31.388 31.823 0.022 0.000 0.646 997 V HN 1.067 nan 8.190 nan 0.000 0.447 998 A N -0.538 122.265 122.820 -0.028 0.000 1.958 998 A HA -0.311 4.011 4.320 0.003 0.000 0.221 998 A C 1.873 179.397 177.584 -0.099 0.000 1.178 998 A CA 2.258 54.261 52.037 -0.056 0.000 0.642 998 A CB -0.932 18.032 19.000 -0.059 0.000 0.816 998 A HN 0.670 nan 8.150 nan 0.000 0.453 999 D N -0.047 120.273 120.400 -0.133 0.000 2.351 999 D HA -0.036 4.607 4.640 0.003 0.000 0.216 999 D C 0.559 176.786 176.300 -0.121 0.000 0.968 999 D CA 1.169 55.053 54.000 -0.194 0.000 0.899 999 D CB 0.035 40.693 40.800 -0.237 0.000 0.907 999 D HN 0.752 nan 8.370 nan 0.000 0.514 1000 K N 0.027 120.384 120.400 -0.071 0.000 2.482 1000 K HA 0.627 4.949 4.320 0.003 0.000 0.251 1000 K C -1.078 175.512 176.600 -0.017 0.000 0.936 1000 K CA -0.962 55.303 56.287 -0.037 0.000 0.791 1000 K CB 2.868 35.365 32.500 -0.006 0.000 1.213 1000 K HN -0.123 nan 8.250 nan 0.000 0.428 1001 L N 0.813 122.029 121.223 -0.011 0.000 3.025 1001 L HA 0.241 4.583 4.340 0.003 0.000 0.240 1001 L C -2.165 174.710 176.870 0.008 0.000 0.985 1001 L CA -0.212 54.640 54.840 0.021 0.000 1.029 1001 L CB 1.825 43.880 42.059 -0.006 0.000 1.519 1001 L HN 0.898 nan 8.230 nan 0.000 0.422 1002 H N 3.137 122.228 119.070 0.036 0.000 2.854 1002 H HA 0.602 5.160 4.556 0.004 0.000 0.275 1002 H C -0.219 175.146 175.328 0.062 0.000 1.198 1002 H CA 0.228 56.305 56.048 0.048 0.000 1.489 1002 H CB 1.733 31.513 29.762 0.029 0.000 1.519 1002 H HN 0.725 nan 8.280 nan 0.000 0.503 1003 A N 4.217 127.131 122.820 0.155 0.000 2.711 1003 A HA 0.045 4.367 4.320 0.003 0.000 0.242 1003 A C 0.860 178.557 177.584 0.189 0.000 1.607 1003 A CA 0.025 52.169 52.037 0.177 0.000 1.370 1003 A CB -0.508 18.617 19.000 0.207 0.000 0.934 1003 A HN 0.317 nan 8.150 nan 0.000 0.628 1004 R N 0.576 121.177 120.500 0.168 0.000 2.272 1004 R HA 0.579 4.921 4.340 0.003 0.000 0.323 1004 R C 0.458 176.798 176.300 0.068 0.000 1.002 1004 R CA 0.481 56.646 56.100 0.109 0.000 0.900 1004 R CB 0.875 31.260 30.300 0.141 0.000 1.151 1004 R HN 0.321 nan 8.270 nan 0.000 0.507 1005 A N 4.300 127.151 122.820 0.051 0.000 1.920 1005 A HA 0.224 4.546 4.320 0.003 0.000 0.209 1005 A C 0.640 178.234 177.584 0.016 0.000 1.229 1005 A CA 0.373 52.429 52.037 0.032 0.000 0.671 1005 A CB 0.393 19.413 19.000 0.033 0.000 0.886 1005 A HN 0.544 nan 8.150 nan 0.000 0.461 1006 R N -1.071 119.438 120.500 0.016 0.000 2.603 1006 R HA 0.456 4.798 4.340 0.003 0.000 0.280 1006 R C -0.715 175.586 176.300 0.002 0.000 1.185 1006 R CA 0.374 56.477 56.100 0.004 0.000 1.039 1006 R CB 0.893 31.194 30.300 0.003 0.000 1.247 1006 R HN 0.491 nan 8.270 nan 0.000 0.413 1007 G N 2.925 111.719 108.800 -0.009 0.000 3.021 1007 G HA2 0.598 4.560 3.960 0.003 0.000 0.290 1007 G HA3 0.598 4.560 3.960 0.003 0.000 0.290 1007 G C -2.691 172.197 174.900 -0.019 0.000 1.291 1007 G CA -0.874 44.215 45.100 -0.018 0.000 0.834 1007 G HN 0.429 nan 8.290 nan 0.000 0.564 1008 P HA 0.271 nan 4.420 nan 0.000 0.267 1008 P C -0.380 176.909 177.300 -0.019 0.000 1.195 1008 P CA 0.317 63.406 63.100 -0.018 0.000 0.773 1008 P CB 1.087 32.777 31.700 -0.017 0.000 0.837 1009 V N -1.091 118.809 119.914 -0.023 0.000 2.808 1009 V HA 0.297 4.419 4.120 0.003 0.000 0.308 1009 V C -0.268 175.809 176.094 -0.028 0.000 1.099 1009 V CA -1.213 61.072 62.300 -0.025 0.000 0.920 1009 V CB 1.795 33.595 31.823 -0.038 0.000 1.014 1009 V HN 0.358 nan 8.190 nan 0.000 0.425 1010 Q N 2.619 122.411 119.800 -0.014 0.000 2.485 1010 Q HA 0.014 4.356 4.340 0.003 0.000 0.348 1010 Q C 1.151 177.139 176.000 -0.021 0.000 1.097 1010 Q CA 0.598 56.397 55.803 -0.006 0.000 1.079 1010 Q CB 0.274 29.020 28.738 0.013 0.000 1.108 1010 Q HN 0.846 nan 8.270 nan 0.000 0.400 1011 I N 1.832 122.394 120.570 -0.012 0.000 2.194 1011 I HA -0.318 3.854 4.170 0.003 0.000 0.246 1011 I C 1.968 178.079 176.117 -0.009 0.000 1.093 1011 I CA 1.229 62.518 61.300 -0.018 0.000 1.355 1011 I CB -0.616 37.384 38.000 0.001 0.000 1.046 1011 I HN 0.562 nan 8.210 nan 0.000 0.413 1012 L N 0.378 121.622 121.223 0.035 0.000 2.022 1012 L HA -0.105 4.237 4.340 0.003 0.000 0.204 1012 L C 2.565 179.560 176.870 0.209 0.000 1.076 1012 L CA 2.735 57.638 54.840 0.105 0.000 0.749 1012 L CB -1.355 40.759 42.059 0.091 0.000 0.903 1012 L HN 0.509 nan 8.230 nan 0.000 0.439 1013 T N -3.392 111.254 114.554 0.153 0.000 3.067 1013 T HA 0.011 4.363 4.350 0.003 0.000 0.261 1013 T C 1.244 176.015 174.700 0.119 0.000 1.110 1013 T CA 0.391 62.626 62.100 0.225 0.000 1.113 1013 T CB 0.018 68.970 68.868 0.139 0.000 0.917 1013 T HN 0.495 nan 8.240 nan 0.000 0.499 1014 R N 0.266 120.729 120.500 -0.061 0.000 3.922 1014 R HA -0.164 4.178 4.340 0.003 0.000 0.447 1014 R C -0.269 175.995 176.300 -0.059 0.000 1.035 1014 R CA 1.205 57.205 56.100 -0.166 0.000 1.289 1014 R CB -2.079 27.975 30.300 -0.410 0.000 1.906 1014 R HN 0.609 nan 8.270 nan 0.000 0.540 1015 Q N 1.916 121.718 119.800 0.004 0.000 2.354 1015 Q HA 0.300 4.642 4.340 0.003 0.000 0.244 1015 Q C -2.338 173.665 176.000 0.004 0.000 0.969 1015 Q CA -2.110 53.702 55.803 0.015 0.000 0.885 1015 Q CB 0.397 29.161 28.738 0.044 0.000 1.241 1015 Q HN -0.124 nan 8.270 nan 0.000 0.461 1016 P HA -0.170 nan 4.420 nan 0.000 0.265 1016 P C -0.327 176.976 177.300 0.004 0.000 1.167 1016 P CA 0.641 63.740 63.100 -0.002 0.000 0.760 1016 P CB 0.241 31.940 31.700 -0.002 0.000 0.783 1017 T N -0.092 114.463 114.554 0.001 0.000 2.748 1017 T HA 0.142 4.494 4.350 0.003 0.000 0.304 1017 T C 0.055 174.766 174.700 0.018 0.000 1.041 1017 T CA -0.582 61.523 62.100 0.007 0.000 1.033 1017 T CB 0.604 69.472 68.868 0.000 0.000 0.995 1017 T HN 0.337 nan 8.240 nan 0.000 0.536 1018 E N 0.236 120.451 120.200 0.025 0.000 2.158 1018 E HA 0.494 4.846 4.350 0.003 0.000 0.271 1018 E C 0.166 176.801 176.600 0.058 0.000 0.911 1018 E CA -0.140 56.281 56.400 0.036 0.000 0.767 1018 E CB 1.075 30.792 29.700 0.027 0.000 1.120 1018 E HN 1.246 nan 8.360 nan 0.000 0.405 1019 G N 3.760 112.622 108.800 0.103 0.000 2.879 1019 G HA2 -0.236 3.726 3.960 0.003 0.000 0.686 1019 G HA3 -0.236 3.726 3.960 0.003 0.000 0.686 1019 G C 0.470 175.448 174.900 0.130 0.000 1.115 1019 G CA 0.137 45.319 45.100 0.135 0.000 0.770 1019 G HN 0.722 nan 8.290 nan 0.000 0.601 1020 R N 2.114 122.645 120.500 0.051 0.000 2.094 1020 R HA -0.047 4.295 4.340 0.003 0.000 0.239 1020 R C 3.160 179.415 176.300 -0.074 0.000 1.137 1020 R CA 2.854 58.815 56.100 -0.232 0.000 0.943 1020 R CB -0.565 29.485 30.300 -0.417 0.000 0.850 1020 R HN 1.580 nan 8.270 nan 0.000 0.433 1021 A N 0.841 123.647 122.820 -0.022 0.000 1.985 1021 A HA -0.266 4.056 4.320 0.003 0.000 0.223 1021 A C 2.209 179.807 177.584 0.023 0.000 1.189 1021 A CA 2.025 54.073 52.037 0.018 0.000 0.658 1021 A CB -0.648 18.363 19.000 0.018 0.000 0.820 1021 A HN 0.482 nan 8.150 nan 0.000 0.464 1022 R N -0.823 119.679 120.500 0.003 0.000 2.334 1022 R HA 0.132 4.475 4.340 0.003 0.000 0.216 1022 R C -0.099 176.163 176.300 -0.063 0.000 0.905 1022 R CA 0.688 56.783 56.100 -0.008 0.000 1.064 1022 R CB -0.010 30.296 30.300 0.010 0.000 1.046 1022 R HN 0.589 nan 8.270 nan 0.000 0.508 1023 E N -0.659 119.461 120.200 -0.133 0.000 2.260 1023 E HA -0.136 4.216 4.350 0.003 0.000 0.204 1023 E C -1.407 175.141 176.600 -0.087 0.000 1.319 1023 E CA 0.446 56.678 56.400 -0.280 0.000 0.679 1023 E CB -1.198 28.192 29.700 -0.517 0.000 1.158 1023 E HN 0.549 nan 8.360 nan 0.000 0.376 1024 G N 0.784 109.622 108.800 0.064 0.000 2.719 1024 G HA2 0.625 4.587 3.960 0.003 0.000 0.298 1024 G HA3 0.625 4.587 3.960 0.003 0.000 0.298 1024 G C 0.224 175.152 174.900 0.048 0.000 1.433 1024 G CA -0.129 45.004 45.100 0.055 0.000 1.034 1024 G HN 0.425 nan 8.290 nan 0.000 0.517 1025 G N 0.314 109.099 108.800 -0.026 0.000 2.630 1025 G HA2 0.355 4.318 3.960 0.003 0.000 0.236 1025 G HA3 0.355 4.318 3.960 0.003 0.000 0.236 1025 G C 0.364 175.167 174.900 -0.162 0.000 1.248 1025 G CA -0.398 44.627 45.100 -0.125 0.000 0.844 1025 G HN 0.715 nan 8.290 nan 0.000 0.588 1026 L N 0.851 121.940 121.223 -0.224 0.000 2.426 1026 L HA 0.198 4.540 4.340 0.003 0.000 0.271 1026 L C 1.464 178.318 176.870 -0.027 0.000 1.169 1026 L CA -0.625 54.128 54.840 -0.144 0.000 0.836 1026 L CB 0.578 42.552 42.059 -0.142 0.000 1.112 1026 L HN 0.570 nan 8.230 nan 0.000 0.465 1027 R N 3.506 124.001 120.500 -0.009 0.000 2.489 1027 R HA 0.047 4.389 4.340 0.003 0.000 0.287 1027 R C -1.253 175.091 176.300 0.073 0.000 1.053 1027 R CA -0.147 55.976 56.100 0.038 0.000 1.036 1027 R CB 0.375 30.684 30.300 0.015 0.000 0.966 1027 R HN 0.408 nan 8.270 nan 0.000 0.432 1028 F N 3.706 123.644 119.950 -0.021 0.000 2.385 1028 F HA 0.540 5.069 4.527 0.003 0.000 0.360 1028 F C 0.135 175.931 175.800 -0.007 0.000 1.122 1028 F CA 0.288 58.280 58.000 -0.014 0.000 1.090 1028 F CB 1.555 40.548 39.000 -0.011 0.000 1.150 1028 F HN 0.671 nan 8.300 nan 0.000 0.472 1029 G N 3.642 112.364 108.800 -0.131 0.000 2.684 1029 G HA2 0.424 4.387 3.960 0.003 0.000 0.290 1029 G HA3 0.424 4.387 3.960 0.003 0.000 0.290 1029 G C -0.336 174.506 174.900 -0.095 0.000 1.425 1029 G CA -0.318 44.760 45.100 -0.038 0.000 0.822 1029 G HN 0.557 nan 8.290 nan 0.000 0.482 1030 E N -0.009 120.173 120.200 -0.029 0.000 3.285 1030 E HA -0.465 3.887 4.350 0.003 0.000 0.364 1030 E C 2.189 178.747 176.600 -0.070 0.000 1.168 1030 E CA 2.617 58.998 56.400 -0.032 0.000 1.473 1030 E CB -0.857 28.826 29.700 -0.028 0.000 1.456 1030 E HN 0.486 nan 8.360 nan 0.000 0.376 1031 M N 0.240 119.784 119.600 -0.093 0.000 2.192 1031 M HA -0.229 4.253 4.480 0.003 0.000 0.256 1031 M C 2.020 178.222 176.300 -0.164 0.000 1.076 1031 M CA 2.186 57.420 55.300 -0.111 0.000 1.075 1031 M CB -0.721 31.814 32.600 -0.108 0.000 1.368 1031 M HN 0.187 nan 8.290 nan 0.000 0.406 1032 E N 0.175 120.201 120.200 -0.290 0.000 2.112 1032 E HA -0.110 4.242 4.350 0.003 0.000 0.190 1032 E C 1.927 178.394 176.600 -0.222 0.000 0.979 1032 E CA 1.054 57.163 56.400 -0.486 0.000 0.814 1032 E CB -0.251 28.686 29.700 -1.273 0.000 0.762 1032 E HN 0.594 nan 8.360 nan 0.000 0.460 1033 R N 0.917 121.391 120.500 -0.043 0.000 2.075 1033 R HA -0.081 4.261 4.340 0.003 0.000 0.232 1033 R C 1.117 177.465 176.300 0.079 0.000 1.126 1033 R CA 1.655 57.857 56.100 0.169 0.000 0.963 1033 R CB -0.468 29.929 30.300 0.161 0.000 0.858 1033 R HN -0.033 nan 8.270 nan 0.000 0.435 1034 D N 0.754 121.160 120.400 0.010 0.000 2.228 1034 D HA -0.188 4.454 4.640 0.003 0.000 0.203 1034 D C 1.624 177.915 176.300 -0.015 0.000 0.988 1034 D CA 1.112 55.107 54.000 -0.008 0.000 0.864 1034 D CB -0.536 40.241 40.800 -0.038 0.000 0.928 1034 D HN 0.312 nan 8.370 nan 0.000 0.469 1035 C N -0.079 119.213 119.300 -0.014 0.000 2.456 1035 C HA 0.040 4.502 4.460 0.003 0.000 0.279 1035 C C 2.183 177.237 174.990 0.106 0.000 1.427 1035 C CA 0.237 59.247 59.018 -0.013 0.000 1.778 1035 C CB -0.881 26.851 27.740 -0.013 0.000 1.842 1035 C HN 0.333 nan 8.230 nan 0.000 0.531 1036 L N -0.842 120.479 121.223 0.163 0.000 2.731 1036 L HA 0.261 4.603 4.340 0.003 0.000 0.240 1036 L C 1.613 178.583 176.870 0.167 0.000 1.120 1036 L CA 0.485 55.463 54.840 0.231 0.000 0.913 1036 L CB -0.188 42.002 42.059 0.218 0.000 1.213 1036 L HN 0.268 nan 8.230 nan 0.000 0.515 1037 I N -0.488 120.144 120.570 0.103 0.000 3.645 1037 I HA 0.086 4.258 4.170 0.003 0.000 0.300 1037 I C 2.371 178.521 176.117 0.055 0.000 1.260 1037 I CA 0.651 61.994 61.300 0.071 0.000 1.365 1037 I CB -0.137 37.890 38.000 0.044 0.000 1.077 1037 I HN 0.140 nan 8.210 nan 0.000 0.439 1038 G N 1.314 110.129 108.800 0.024 0.000 2.396 1038 G HA2 -0.015 3.947 3.960 0.003 0.000 0.214 1038 G HA3 -0.015 3.947 3.960 0.003 0.000 0.214 1038 G C 0.690 175.605 174.900 0.026 0.000 1.166 1038 G CA 0.050 45.126 45.100 -0.040 0.000 0.793 1038 G HN 0.133 nan 8.290 nan 0.000 0.533 1039 F N 0.128 120.085 119.950 0.012 0.000 2.380 1039 F HA 0.458 4.987 4.527 0.003 0.000 0.325 1039 F C 1.317 177.123 175.800 0.011 0.000 1.136 1039 F CA -0.562 57.444 58.000 0.011 0.000 1.171 1039 F CB 1.644 40.654 39.000 0.017 0.000 1.230 1039 F HN 0.038 nan 8.300 nan 0.000 0.554 1040 G N 0.801 109.733 108.800 0.219 0.000 4.198 1040 G HA2 0.115 4.077 3.960 0.003 0.000 0.282 1040 G HA3 0.115 4.077 3.960 0.003 0.000 0.282 1040 G C -0.321 174.614 174.900 0.058 0.000 1.262 1040 G CA -0.098 45.065 45.100 0.105 0.000 1.473 1040 G HN 0.514 nan 8.290 nan 0.000 0.624 1041 T N 0.545 115.141 114.554 0.071 0.000 3.262 1041 T HA 0.498 4.850 4.350 0.003 0.000 0.374 1041 T C 1.631 176.344 174.700 0.022 0.000 1.504 1041 T CA 0.262 62.373 62.100 0.018 0.000 1.158 1041 T CB 0.315 69.177 68.868 -0.010 0.000 1.157 1041 T HN 0.307 nan 8.240 nan 0.000 0.644 1042 A N 5.699 128.524 122.820 0.010 0.000 1.877 1042 A HA -0.010 4.312 4.320 0.003 0.000 0.216 1042 A C 2.271 179.847 177.584 -0.013 0.000 1.186 1042 A CA 1.143 53.182 52.037 0.002 0.000 0.620 1042 A CB -0.331 18.667 19.000 -0.003 0.000 0.822 1042 A HN 0.678 nan 8.150 nan 0.000 0.443 1043 M N -1.300 118.287 119.600 -0.022 0.000 2.123 1043 M HA 0.004 4.486 4.480 0.003 0.000 0.263 1043 M C 2.229 178.503 176.300 -0.043 0.000 1.069 1043 M CA 1.100 56.380 55.300 -0.033 0.000 1.133 1043 M CB -1.385 31.195 32.600 -0.034 0.000 1.356 1043 M HN 0.449 nan 8.290 nan 0.000 0.415 1044 L N 1.114 122.313 121.223 -0.040 0.000 2.013 1044 L HA -0.170 4.172 4.340 0.003 0.000 0.212 1044 L C 2.158 178.986 176.870 -0.071 0.000 1.073 1044 L CA 1.556 56.366 54.840 -0.051 0.000 0.753 1044 L CB -0.719 41.319 42.059 -0.034 0.000 0.890 1044 L HN 0.362 nan 8.230 nan 0.000 0.432 1045 L N -1.122 120.078 121.223 -0.038 0.000 2.700 1045 L HA -0.131 4.211 4.340 0.003 0.000 0.240 1045 L C 2.000 178.827 176.870 -0.071 0.000 1.162 1045 L CA 0.992 55.806 54.840 -0.043 0.000 0.874 1045 L CB -0.436 41.642 42.059 0.031 0.000 1.001 1045 L HN 0.368 nan 8.230 nan 0.000 0.447 1046 K N -0.250 120.104 120.400 -0.078 0.000 2.306 1046 K HA -0.066 4.256 4.320 0.003 0.000 0.200 1046 K C 1.048 177.589 176.600 -0.097 0.000 1.083 1046 K CA 0.627 56.868 56.287 -0.075 0.000 0.959 1046 K CB 0.258 32.723 32.500 -0.057 0.000 0.994 1046 K HN 0.323 nan 8.250 nan 0.000 0.492 1047 D N 0.429 120.767 120.400 -0.103 0.000 2.494 1047 D HA -0.039 4.603 4.640 0.003 0.000 0.249 1047 D C 0.893 177.089 176.300 -0.173 0.000 1.223 1047 D CA 0.360 54.294 54.000 -0.110 0.000 0.865 1047 D CB 0.320 41.067 40.800 -0.089 0.000 0.974 1047 D HN 0.042 nan 8.370 nan 0.000 0.491 1048 R N -1.074 119.292 120.500 -0.224 0.000 2.390 1048 R HA 0.168 4.510 4.340 0.003 0.000 0.201 1048 R C 0.837 176.933 176.300 -0.340 0.000 0.908 1048 R CA 0.164 56.025 56.100 -0.399 0.000 1.480 1048 R CB -0.601 29.296 30.300 -0.672 0.000 1.681 1048 R HN 0.235 nan 8.270 nan 0.000 0.464 1049 L N 0.220 121.333 121.223 -0.184 0.000 2.357 1049 L HA 0.433 4.775 4.340 0.003 0.000 0.211 1049 L C 1.114 177.950 176.870 -0.056 0.000 1.075 1049 L CA 1.711 56.501 54.840 -0.085 0.000 0.830 1049 L CB 0.269 42.300 42.059 -0.047 0.000 0.996 1049 L HN 0.254 nan 8.230 nan 0.000 0.467 1050 L N -5.313 115.869 121.223 -0.067 0.000 2.627 1050 L HA 0.398 4.740 4.340 0.003 0.000 0.253 1050 L C 1.130 177.972 176.870 -0.046 0.000 1.042 1050 L CA 0.246 55.060 54.840 -0.043 0.000 1.110 1050 L CB -0.576 41.457 42.059 -0.043 0.000 2.151 1050 L HN -0.188 nan 8.230 nan 0.000 0.539 1051 D N 2.204 122.567 120.400 -0.062 0.000 2.357 1051 D HA -0.109 4.533 4.640 0.003 0.000 0.216 1051 D C -0.132 176.135 176.300 -0.056 0.000 0.973 1051 D CA 1.288 55.254 54.000 -0.057 0.000 0.912 1051 D CB -0.174 40.587 40.800 -0.065 0.000 0.900 1051 D HN 0.546 nan 8.370 nan 0.000 0.501 1052 N N -1.373 117.288 118.700 -0.065 0.000 2.646 1052 N HA 0.278 5.020 4.740 0.003 0.000 0.303 1052 N C -0.500 174.984 175.510 -0.042 0.000 1.921 1052 N CA -0.167 52.848 53.050 -0.058 0.000 0.872 1052 N CB 1.491 39.931 38.487 -0.079 0.000 1.327 1052 N HN -0.229 nan 8.380 nan 0.000 0.492 1053 S N -1.137 114.549 115.700 -0.024 0.000 4.476 1053 S HA 0.083 4.556 4.470 0.003 0.000 0.193 1053 S C 0.121 174.728 174.600 0.011 0.000 1.131 1053 S CA -0.097 58.101 58.200 -0.003 0.000 1.198 1053 S CB 0.572 63.778 63.200 0.010 0.000 1.566 1053 S HN 0.291 nan 8.310 nan 0.000 0.507 1054 D N 0.551 120.965 120.400 0.024 0.000 3.137 1054 D HA 0.314 4.956 4.640 0.003 0.000 0.236 1054 D C 0.391 176.713 176.300 0.036 0.000 1.557 1054 D CA 0.091 54.125 54.000 0.057 0.000 1.305 1054 D CB 0.282 41.157 40.800 0.124 0.000 1.065 1054 D HN 0.143 nan 8.370 nan 0.000 0.290 1055 R N -0.069 120.446 120.500 0.026 0.000 4.002 1055 R HA -0.134 4.209 4.340 0.003 0.000 0.443 1055 R C 0.086 176.391 176.300 0.008 0.000 0.770 1055 R CA 1.290 57.391 56.100 0.002 0.000 1.648 1055 R CB -2.456 27.836 30.300 -0.013 0.000 2.287 1055 R HN 0.201 nan 8.270 nan 0.000 0.454 1056 T N 2.676 117.257 114.554 0.045 0.000 2.809 1056 T HA -0.130 4.222 4.350 0.003 0.000 0.283 1056 T C 0.691 175.388 174.700 -0.005 0.000 1.031 1056 T CA 0.735 62.867 62.100 0.052 0.000 1.135 1056 T CB 0.284 69.252 68.868 0.168 0.000 1.070 1056 T HN 0.122 nan 8.240 nan 0.000 0.488 1057 M N 3.453 123.021 119.600 -0.053 0.000 2.233 1057 M HA 0.408 4.890 4.480 0.003 0.000 0.355 1057 M C -0.472 175.682 176.300 -0.243 0.000 1.191 1057 M CA -0.435 54.755 55.300 -0.182 0.000 1.101 1057 M CB 0.950 33.400 32.600 -0.250 0.000 1.592 1057 M HN 0.408 nan 8.290 nan 0.000 0.461 1058 I N 3.212 123.584 120.570 -0.330 0.000 2.647 1058 I HA 0.410 4.582 4.170 0.003 0.000 0.295 1058 I C -0.935 174.930 176.117 -0.421 0.000 1.078 1058 I CA -0.758 60.383 61.300 -0.265 0.000 1.048 1058 I CB 1.666 39.623 38.000 -0.071 0.000 1.239 1058 I HN 0.559 nan 8.210 nan 0.000 0.421 1059 Y N 3.388 123.511 120.300 -0.296 0.000 2.496 1059 Y HA 0.764 5.316 4.550 0.003 0.000 0.331 1059 Y C 0.203 176.070 175.900 -0.055 0.000 1.140 1059 Y CA -1.071 56.879 58.100 -0.250 0.000 1.166 1059 Y CB 1.613 39.610 38.460 -0.772 0.000 1.249 1059 Y HN 0.196 nan 8.280 nan 0.000 0.479 1060 V N 0.663 120.752 119.914 0.290 0.000 2.733 1060 V HA 0.227 4.349 4.120 0.003 0.000 0.306 1060 V C -0.399 175.814 176.094 0.197 0.000 1.084 1060 V CA -1.409 61.017 62.300 0.209 0.000 0.905 1060 V CB 1.599 33.474 31.823 0.087 0.000 1.010 1060 V HN 1.048 nan 8.190 nan 0.000 0.424 1061 C N 2.922 122.319 119.300 0.162 0.000 2.665 1061 C HA 0.130 4.592 4.460 0.003 0.000 0.416 1061 C C 1.618 176.577 174.990 -0.052 0.000 1.305 1061 C CA 0.637 59.698 59.018 0.071 0.000 1.903 1061 C CB -0.117 27.654 27.740 0.051 0.000 2.704 1061 C HN 1.036 nan 8.230 nan 0.000 0.629 1062 D N 0.803 121.144 120.400 -0.099 0.000 2.162 1062 D HA -0.032 4.610 4.640 0.003 0.000 0.205 1062 D C 2.086 178.309 176.300 -0.128 0.000 0.964 1062 D CA 1.203 55.094 54.000 -0.181 0.000 0.847 1062 D CB -0.114 40.569 40.800 -0.196 0.000 0.988 1062 D HN 0.730 nan 8.370 nan 0.000 0.480 1063 Q N -0.422 119.326 119.800 -0.088 0.000 1.969 1063 Q HA -0.024 4.318 4.340 0.003 0.000 0.198 1063 Q C 0.863 176.801 176.000 -0.104 0.000 0.978 1063 Q CA 1.298 57.055 55.803 -0.077 0.000 0.830 1063 Q CB 0.150 28.858 28.738 -0.049 0.000 0.896 1063 Q HN 0.451 nan 8.270 nan 0.000 0.431 1064 C N -0.906 118.332 119.300 -0.103 0.000 3.290 1064 C HA 0.622 5.084 4.460 0.003 0.000 0.206 1064 C C 0.739 175.602 174.990 -0.213 0.000 1.639 1064 C CA -1.110 57.783 59.018 -0.208 0.000 1.408 1064 C CB -0.511 27.148 27.740 -0.135 0.000 2.197 1064 C HN 0.361 nan 8.230 nan 0.000 0.508 1065 G N 1.050 109.759 108.800 -0.151 0.000 2.401 1065 G HA2 0.186 4.148 3.960 0.003 0.000 0.288 1065 G HA3 0.186 4.148 3.960 0.003 0.000 0.288 1065 G C 0.096 174.948 174.900 -0.080 0.000 0.917 1065 G CA 0.491 45.560 45.100 -0.051 0.000 1.610 1065 G HN 0.818 nan 8.290 nan 0.000 0.439 1066 Y N 2.070 122.395 120.300 0.043 0.000 2.259 1066 Y HA 0.360 4.912 4.550 0.004 0.000 0.285 1066 Y C 1.482 177.395 175.900 0.021 0.000 1.130 1066 Y CA -0.087 58.027 58.100 0.022 0.000 1.144 1066 Y CB 0.485 38.957 38.460 0.020 0.000 1.093 1066 Y HN 0.448 nan 8.280 nan 0.000 0.507 1067 I N -0.413 120.306 120.570 0.248 0.000 2.982 1067 I HA 0.541 4.713 4.170 0.003 0.000 0.312 1067 I C 0.277 176.485 176.117 0.151 0.000 1.041 1067 I CA -0.933 60.456 61.300 0.148 0.000 1.053 1067 I CB 1.590 39.664 38.000 0.124 0.000 1.248 1067 I HN 0.163 nan 8.210 nan 0.000 0.471 1068 G N 2.890 111.753 108.800 0.105 0.000 2.572 1068 G HA2 0.213 4.175 3.960 0.003 0.000 0.261 1068 G HA3 0.213 4.175 3.960 0.003 0.000 0.261 1068 G C -0.522 174.445 174.900 0.111 0.000 1.197 1068 G CA -0.618 44.511 45.100 0.047 0.000 0.870 1068 G HN 0.825 nan 8.290 nan 0.000 0.548 1069 W N -0.914 120.483 121.300 0.162 0.000 2.537 1069 W HA 0.514 5.176 4.660 0.003 0.000 0.591 1069 W C -0.927 175.757 176.519 0.276 0.000 1.460 1069 W CA -1.344 56.025 57.345 0.040 0.000 1.308 1069 W CB 0.387 29.769 29.460 -0.130 0.000 3.071 1069 W HN 0.380 nan 8.180 nan 0.000 0.738 1070 Y N 2.278 123.001 120.300 0.705 0.000 2.327 1070 Y HA 0.083 4.635 4.550 0.004 0.000 0.336 1070 Y C 0.195 176.408 175.900 0.521 0.000 1.035 1070 Y CA -0.950 57.413 58.100 0.438 0.000 1.165 1070 Y CB 0.408 39.019 38.460 0.252 0.000 1.181 1070 Y HN 0.177 nan 8.280 nan 0.000 0.494 1071 D N 2.533 123.180 120.400 0.411 0.000 3.040 1071 D HA -0.182 4.460 4.640 0.003 0.000 0.193 1071 D C -0.019 176.514 176.300 0.389 0.000 1.073 1071 D CA 1.016 55.185 54.000 0.282 0.000 0.751 1071 D CB 0.547 41.449 40.800 0.171 0.000 1.148 1071 D HN 0.486 nan 8.370 nan 0.000 0.510 1072 K N 2.162 122.784 120.400 0.369 0.000 3.358 1072 K HA -0.015 4.307 4.320 0.003 0.000 0.297 1072 K C 0.110 176.825 176.600 0.191 0.000 1.064 1072 K CA -0.184 56.319 56.287 0.358 0.000 1.144 1072 K CB -0.741 31.991 32.500 0.387 0.000 1.289 1072 K HN 0.428 nan 8.250 nan 0.000 0.372 1073 N N 1.767 120.560 118.700 0.154 0.000 2.475 1073 N HA -0.012 4.730 4.740 0.003 0.000 0.267 1073 N C -0.163 175.369 175.510 0.037 0.000 1.169 1073 N CA -0.049 53.054 53.050 0.088 0.000 0.947 1073 N CB 0.946 39.483 38.487 0.083 0.000 1.061 1073 N HN -0.007 nan 8.380 nan 0.000 0.466 1074 K N 0.993 121.406 120.400 0.021 0.000 3.193 1074 K HA -0.240 4.082 4.320 0.003 0.000 0.294 1074 K C -0.445 176.122 176.600 -0.055 0.000 1.185 1074 K CA 0.658 56.937 56.287 -0.013 0.000 0.866 1074 K CB -1.584 30.903 32.500 -0.021 0.000 1.227 1074 K HN 0.906 nan 8.250 nan 0.000 0.467 1075 N N -0.322 118.360 118.700 -0.030 0.000 2.708 1075 N HA -0.208 4.534 4.740 0.003 0.000 0.249 1075 N C 0.188 175.444 175.510 -0.424 0.000 1.097 1075 N CA 1.571 54.566 53.050 -0.091 0.000 0.710 1075 N CB -0.690 37.771 38.487 -0.043 0.000 1.032 1075 N HN 0.575 nan 8.380 nan 0.000 0.551 1076 K N 0.252 120.464 120.400 -0.313 0.000 2.387 1076 K HA -0.005 4.317 4.320 0.003 0.000 0.198 1076 K C 0.134 176.464 176.600 -0.449 0.000 1.022 1076 K CA -0.287 55.762 56.287 -0.398 0.000 1.128 1076 K CB -0.104 32.299 32.500 -0.161 0.000 0.853 1076 K HN 0.398 nan 8.250 nan 0.000 0.523 1077 Y N 0.159 120.334 120.300 -0.208 0.000 3.017 1077 Y HA -0.176 4.376 4.550 0.003 0.000 0.254 1077 Y C -0.201 175.068 175.900 -1.051 0.000 0.895 1077 Y CA -0.554 57.170 58.100 -0.626 0.000 0.965 1077 Y CB -2.258 35.694 38.460 -0.847 0.000 1.048 1077 Y HN -0.275 nan 8.280 nan 0.000 0.436 1078 V N 2.857 122.563 119.914 -0.347 0.000 2.509 1078 V HA 0.241 4.363 4.120 0.003 0.000 0.284 1078 V C 0.591 176.450 176.094 -0.390 0.000 1.047 1078 V CA -0.841 61.249 62.300 -0.350 0.000 0.952 1078 V CB 1.244 32.985 31.823 -0.137 0.000 0.988 1078 V HN 0.919 nan 8.190 nan 0.000 0.469 1079 C N 6.348 125.443 119.300 -0.342 0.000 2.349 1079 C HA 0.527 4.989 4.460 0.003 0.000 0.361 1079 C C -1.605 173.323 174.990 -0.103 0.000 1.189 1079 C CA -1.870 57.075 59.018 -0.122 0.000 2.155 1079 C CB 1.423 29.148 27.740 -0.025 0.000 2.336 1079 C HN 0.807 nan 8.230 nan 0.000 0.540 1080 P HA 0.120 nan 4.420 nan 0.000 0.301 1080 P C -0.577 176.757 177.300 0.056 0.000 1.445 1080 P CA 1.280 64.385 63.100 0.009 0.000 0.741 1080 P CB -0.625 31.115 31.700 0.067 0.000 1.426 1081 I N -1.278 119.326 120.570 0.057 0.000 2.552 1081 I HA 0.027 4.199 4.170 0.003 0.000 0.253 1081 I C 0.839 176.985 176.117 0.047 0.000 1.386 1081 I CA -0.812 60.539 61.300 0.085 0.000 1.057 1081 I CB 0.455 38.480 38.000 0.041 0.000 1.451 1081 I HN 0.096 nan 8.210 nan 0.000 0.483 1082 H N 3.018 122.043 119.070 -0.074 0.000 2.041 1082 H HA 0.143 4.701 4.556 0.004 0.000 0.357 1082 H C 1.041 176.323 175.328 -0.076 0.000 2.137 1082 H CA 0.655 56.647 56.048 -0.093 0.000 1.356 1082 H CB -0.128 29.588 29.762 -0.077 0.000 1.591 1082 H HN 0.692 nan 8.280 nan 0.000 0.486 1083 G N 0.126 108.848 108.800 -0.130 0.000 2.272 1083 G HA2 -0.291 3.671 3.960 0.003 0.000 0.280 1083 G HA3 -0.291 3.671 3.960 0.003 0.000 0.280 1083 G C 0.142 174.972 174.900 -0.116 0.000 1.067 1083 G CA 0.711 45.702 45.100 -0.181 0.000 0.902 1083 G HN 0.877 nan 8.290 nan 0.000 0.500 1084 D N -1.550 118.801 120.400 -0.081 0.000 2.955 1084 D HA -0.203 4.439 4.640 0.003 0.000 0.205 1084 D C 1.153 177.451 176.300 -0.003 0.000 1.104 1084 D CA 2.108 56.112 54.000 0.007 0.000 1.005 1084 D CB -0.335 40.471 40.800 0.010 0.000 1.123 1084 D HN 0.891 nan 8.370 nan 0.000 0.407 1085 K N 0.705 121.067 120.400 -0.063 0.000 2.518 1085 K HA 0.026 4.348 4.320 0.003 0.000 0.276 1085 K C 1.315 177.889 176.600 -0.043 0.000 0.974 1085 K CA 1.477 57.727 56.287 -0.061 0.000 0.986 1085 K CB 0.415 32.856 32.500 -0.097 0.000 0.901 1085 K HN 0.293 nan 8.250 nan 0.000 0.497 1086 S N 1.055 116.737 115.700 -0.029 0.000 2.443 1086 S HA -0.392 4.080 4.470 0.003 0.000 0.241 1086 S C 0.406 175.007 174.600 0.001 0.000 1.257 1086 S CA 1.562 59.748 58.200 -0.023 0.000 1.628 1086 S CB -2.001 61.180 63.200 -0.032 0.000 2.116 1086 S HN 1.181 nan 8.310 nan 0.000 0.638 1087 N N 0.021 118.722 118.700 0.001 0.000 6.114 1087 N HA -0.172 4.570 4.740 0.003 0.000 0.393 1087 N C -0.996 174.548 175.510 0.056 0.000 0.998 1087 N CA 1.110 54.168 53.050 0.013 0.000 2.178 1087 N CB -0.767 37.775 38.487 0.092 0.000 0.678 1087 N HN 0.762 nan 8.380 nan 0.000 0.598 1088 L N 0.863 122.160 121.223 0.124 0.000 2.469 1088 L HA 0.617 4.960 4.340 0.003 0.000 0.256 1088 L C -1.022 176.277 176.870 0.715 0.000 1.006 1088 L CA -0.592 54.494 54.840 0.410 0.000 0.832 1088 L CB 1.773 44.201 42.059 0.615 0.000 1.421 1088 L HN 0.399 nan 8.230 nan 0.000 0.410 1089 F N 1.001 121.101 119.950 0.251 0.000 2.495 1089 F HA 0.548 5.077 4.527 0.003 0.000 0.327 1089 F C -2.223 173.672 175.800 0.158 0.000 1.103 1089 F CA -2.233 55.871 58.000 0.172 0.000 0.949 1089 F CB 2.230 41.277 39.000 0.078 0.000 1.142 1089 F HN 0.092 nan 8.300 nan 0.000 0.457 1090 P HA 0.301 nan 4.420 nan 0.000 0.288 1090 P C -1.410 175.789 177.300 -0.169 0.000 1.267 1090 P CA -0.419 62.527 63.100 -0.258 0.000 0.815 1090 P CB 2.011 33.550 31.700 -0.268 0.000 0.989 1091 V N 2.954 122.713 119.914 -0.258 0.000 2.777 1091 V HA 0.290 4.412 4.120 0.003 0.000 0.306 1091 V C -0.805 175.201 176.094 -0.148 0.000 1.112 1091 V CA -0.381 61.840 62.300 -0.132 0.000 0.917 1091 V CB 2.227 34.020 31.823 -0.050 0.000 1.018 1091 V HN 0.448 nan 8.190 nan 0.000 0.426 1092 T N 5.877 120.367 114.554 -0.107 0.000 2.752 1092 T HA 0.555 4.907 4.350 0.003 0.000 0.295 1092 T C -0.440 174.219 174.700 -0.068 0.000 0.923 1092 T CA 0.009 62.056 62.100 -0.088 0.000 1.112 1092 T CB 0.715 69.541 68.868 -0.070 0.000 0.884 1092 T HN 0.582 nan 8.240 nan 0.000 0.525 1093 V N 2.823 122.707 119.914 -0.049 0.000 2.817 1093 V HA 0.325 4.447 4.120 0.003 0.000 0.303 1093 V C 0.132 176.233 176.094 0.013 0.000 1.151 1093 V CA -1.142 61.136 62.300 -0.037 0.000 0.929 1093 V CB 2.365 34.176 31.823 -0.021 0.000 1.030 1093 V HN 0.915 nan 8.190 nan 0.000 0.427 1094 S N 3.835 119.535 115.700 0.000 0.000 2.670 1094 S HA -0.049 4.423 4.470 0.003 0.000 0.308 1094 S C 1.060 175.743 174.600 0.138 0.000 1.232 1094 S CA 0.349 58.584 58.200 0.058 0.000 1.126 1094 S CB -0.296 62.917 63.200 0.022 0.000 0.897 1094 S HN 0.847 nan 8.310 nan 0.000 0.508 1095 Y N 5.006 125.333 120.300 0.045 0.000 2.321 1095 Y HA -0.335 4.217 4.550 0.004 0.000 0.281 1095 Y C 2.105 178.058 175.900 0.089 0.000 1.200 1095 Y CA 2.059 60.196 58.100 0.061 0.000 1.269 1095 Y CB -0.669 37.812 38.460 0.035 0.000 0.972 1095 Y HN 0.898 nan 8.280 nan 0.000 0.550 1096 A N -0.401 122.524 122.820 0.175 0.000 1.940 1096 A HA -0.232 4.090 4.320 0.003 0.000 0.219 1096 A C 2.044 179.687 177.584 0.099 0.000 1.176 1096 A CA 1.776 53.890 52.037 0.128 0.000 0.631 1096 A CB -1.266 17.819 19.000 0.141 0.000 0.814 1096 A HN 0.556 nan 8.150 nan 0.000 0.446 1097 F N 0.522 120.420 119.950 -0.087 0.000 2.074 1097 F HA -0.076 4.453 4.527 0.003 0.000 0.293 1097 F C 2.296 177.999 175.800 -0.162 0.000 1.116 1097 F CA 1.716 59.661 58.000 -0.091 0.000 1.212 1097 F CB -0.334 38.630 39.000 -0.060 0.000 0.998 1097 F HN 0.153 nan 8.300 nan 0.000 0.471 1098 K N 0.932 121.276 120.400 -0.092 0.000 2.148 1098 K HA -0.258 4.064 4.320 0.003 0.000 0.213 1098 K C 2.001 178.384 176.600 -0.362 0.000 1.050 1098 K CA 2.144 58.259 56.287 -0.287 0.000 0.932 1098 K CB -0.940 31.260 32.500 -0.500 0.000 0.717 1098 K HN 0.382 nan 8.250 nan 0.000 0.462 1099 L N 0.001 120.971 121.223 -0.421 0.000 1.982 1099 L HA -0.191 4.152 4.340 0.003 0.000 0.206 1099 L C 2.637 179.388 176.870 -0.198 0.000 1.078 1099 L CA 0.819 55.496 54.840 -0.271 0.000 0.749 1099 L CB -0.700 41.250 42.059 -0.182 0.000 0.894 1099 L HN 0.129 nan 8.230 nan 0.000 0.436 1100 L N 0.265 121.375 121.223 -0.189 0.000 2.010 1100 L HA -0.307 4.035 4.340 0.003 0.000 0.219 1100 L C 2.493 179.194 176.870 -0.282 0.000 1.077 1100 L CA 1.961 56.677 54.840 -0.207 0.000 0.773 1100 L CB -0.637 41.297 42.059 -0.208 0.000 0.892 1100 L HN 0.126 nan 8.230 nan 0.000 0.436 1101 I N -0.641 119.665 120.570 -0.440 0.000 2.145 1101 I HA -0.379 3.793 4.170 0.003 0.000 0.244 1101 I C 2.576 178.579 176.117 -0.189 0.000 1.075 1101 I CA 1.842 62.924 61.300 -0.363 0.000 1.332 1101 I CB -1.400 36.387 38.000 -0.354 0.000 1.033 1101 I HN 0.528 nan 8.210 nan 0.000 0.410 1102 Q N 0.461 120.163 119.800 -0.163 0.000 1.993 1102 Q HA -0.240 4.102 4.340 0.003 0.000 0.202 1102 Q C 2.180 178.125 176.000 -0.091 0.000 0.984 1102 Q CA 1.712 57.453 55.803 -0.104 0.000 0.837 1102 Q CB -0.236 28.449 28.738 -0.089 0.000 0.902 1102 Q HN 0.526 nan 8.270 nan 0.000 0.423 1103 E N 0.569 120.713 120.200 -0.093 0.000 2.171 1103 E HA -0.192 4.160 4.350 0.003 0.000 0.197 1103 E C 1.967 178.526 176.600 -0.068 0.000 0.997 1103 E CA 0.844 57.204 56.400 -0.068 0.000 0.810 1103 E CB -0.050 29.614 29.700 -0.060 0.000 0.738 1103 E HN 0.279 nan 8.360 nan 0.000 0.467 1104 L N -0.232 120.937 121.223 -0.090 0.000 2.005 1104 L HA -0.183 4.159 4.340 0.003 0.000 0.207 1104 L C 2.476 179.307 176.870 -0.066 0.000 1.072 1104 L CA 1.092 55.886 54.840 -0.076 0.000 0.744 1104 L CB -0.343 41.658 42.059 -0.097 0.000 0.895 1104 L HN 0.239 nan 8.230 nan 0.000 0.433 1105 M N -0.181 119.372 119.600 -0.079 0.000 2.082 1105 M HA -0.226 4.257 4.480 0.003 0.000 0.258 1105 M C 2.446 178.696 176.300 -0.083 0.000 1.069 1105 M CA 2.287 57.531 55.300 -0.095 0.000 1.102 1105 M CB -0.652 31.875 32.600 -0.123 0.000 1.336 1105 M HN 0.365 nan 8.290 nan 0.000 0.404 1106 S N -0.115 115.545 115.700 -0.067 0.000 2.469 1106 S HA -0.130 4.342 4.470 0.003 0.000 0.238 1106 S C 1.654 176.230 174.600 -0.040 0.000 0.998 1106 S CA 1.051 59.221 58.200 -0.050 0.000 0.957 1106 S CB -0.588 62.589 63.200 -0.039 0.000 0.764 1106 S HN 0.634 nan 8.310 nan 0.000 0.514 1107 M N 0.707 120.282 119.600 -0.040 0.000 2.383 1107 M HA 0.357 4.839 4.480 0.003 0.000 0.247 1107 M C -0.555 175.727 176.300 -0.030 0.000 1.117 1107 M CA 0.018 55.300 55.300 -0.030 0.000 0.995 1107 M CB -0.332 32.252 32.600 -0.026 0.000 1.480 1107 M HN 0.140 nan 8.290 nan 0.000 0.485 1108 I N 0.424 120.970 120.570 -0.041 0.000 6.100 1108 I HA -0.271 3.902 4.170 0.003 0.000 0.126 1108 I C -0.947 175.153 176.117 -0.029 0.000 1.820 1108 I CA 0.512 61.787 61.300 -0.042 0.000 2.045 1108 I CB -2.047 35.934 38.000 -0.032 0.000 3.435 1108 I HN 0.259 nan 8.210 nan 0.000 0.171 1109 I N 1.345 121.898 120.570 -0.028 0.000 2.336 1109 I HA 0.313 4.485 4.170 0.003 0.000 0.292 1109 I C 0.952 177.074 176.117 0.008 0.000 0.991 1109 I CA -0.266 61.029 61.300 -0.008 0.000 1.227 1109 I CB 1.685 39.676 38.000 -0.015 0.000 1.366 1109 I HN 0.380 nan 8.210 nan 0.000 0.466 1110 S N 8.320 124.054 115.700 0.056 0.000 2.465 1110 S HA 0.536 5.008 4.470 0.003 0.000 0.279 1110 S C -2.198 172.502 174.600 0.167 0.000 1.201 1110 S CA -0.919 57.383 58.200 0.171 0.000 1.053 1110 S CB 0.887 64.225 63.200 0.230 0.000 0.953 1110 S HN 0.532 nan 8.310 nan 0.000 0.488 1111 P HA 0.373 nan 4.420 nan 0.000 0.192 1111 P C -1.051 176.310 177.300 0.101 0.000 1.882 1111 P CA -0.508 62.653 63.100 0.102 0.000 1.239 1111 P CB 0.413 32.116 31.700 0.004 0.000 1.681 1112 R N 2.662 123.153 120.500 -0.014 0.000 2.205 1112 R HA 0.333 4.675 4.340 0.003 0.000 0.342 1112 R C 0.002 176.260 176.300 -0.071 0.000 1.058 1112 R CA -0.810 55.190 56.100 -0.167 0.000 0.904 1112 R CB 0.698 30.764 30.300 -0.390 0.000 1.089 1112 R HN 0.303 nan 8.270 nan 0.000 0.471 1113 L N 2.603 123.814 121.223 -0.021 0.000 2.305 1113 L HA 0.297 4.639 4.340 0.003 0.000 0.281 1113 L C 1.168 178.026 176.870 -0.019 0.000 1.085 1113 L CA -0.615 54.236 54.840 0.018 0.000 0.813 1113 L CB -0.039 42.075 42.059 0.091 0.000 1.157 1113 L HN 0.243 nan 8.230 nan 0.000 0.436 1114 V N 2.426 122.327 119.914 -0.023 0.000 4.164 1114 V HA 0.593 4.715 4.120 0.003 0.000 0.262 1114 V C 0.219 176.288 176.094 -0.041 0.000 0.858 1114 V CA 0.061 62.332 62.300 -0.047 0.000 0.792 1114 V CB 0.262 32.061 31.823 -0.039 0.000 1.143 1114 V HN 0.903 nan 8.190 nan 0.000 0.368 1115 L N -3.614 117.582 121.223 -0.045 0.000 2.869 1115 L HA 0.779 5.121 4.340 0.003 0.000 0.265 1115 L C -0.653 176.218 176.870 0.001 0.000 1.011 1115 L CA -0.788 54.039 54.840 -0.020 0.000 0.913 1115 L CB 1.516 43.532 42.059 -0.071 0.000 1.490 1115 L HN 0.756 nan 8.230 nan 0.000 0.410 1116 E N -0.626 119.602 120.200 0.046 0.000 2.378 1116 E HA 0.480 4.832 4.350 0.003 0.000 0.173 1116 E C -1.259 175.396 176.600 0.092 0.000 0.853 1116 E CA -0.668 55.763 56.400 0.051 0.000 0.866 1116 E CB 1.383 31.099 29.700 0.027 0.000 2.077 1116 E HN 0.738 nan 8.360 nan 0.000 0.408 1117 D N -0.516 119.921 120.400 0.062 0.000 3.680 1117 D HA 0.227 4.869 4.640 0.003 0.000 0.177 1117 D C 0.090 176.407 176.300 0.029 0.000 1.239 1117 D CA -0.085 53.949 54.000 0.058 0.000 1.316 1117 D CB 0.843 41.673 40.800 0.051 0.000 1.156 1117 D HN 0.367 nan 8.370 nan 0.000 0.384 1118 K N -0.017 120.394 120.400 0.018 0.000 2.575 1118 K HA 0.142 4.464 4.320 0.003 0.000 0.160 1118 K C -0.113 176.490 176.600 0.006 0.000 1.410 1118 K CA -0.058 56.233 56.287 0.007 0.000 1.112 1118 K CB 0.116 32.617 32.500 0.001 0.000 1.247 1118 K HN 0.072 nan 8.250 nan 0.000 0.510 1119 V N 0.000 119.920 119.914 0.011 0.000 2.409 1119 V HA 0.000 4.122 4.120 0.003 0.000 0.244 1119 V CA 0.000 62.305 62.300 0.009 0.000 1.235 1119 V CB 0.000 31.831 31.823 0.013 0.000 1.184 1119 V HN 0.000 nan 8.190 nan 0.000 0.556