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 2r7x_1_B DATA FIRST_RESID 2 DATA SEQUENCE GKYNLILSEY LSFIYNSXXX VQIPIYYSSN SELENRCIEF HSKCLENSKN DATA SEQUENCE GLSLRKLFVE YNDVIENATL LSILSYSYDK YNAVERKLVK YAKGKPLEAD DATA SEQUENCE LTVNELDYEN NKMTSELFPT AEEYTDSLMD PAILTSLSSN LNAVMFWLEK DATA SEQUENCE HENDVAEKLK VYKRRLDLFT IVASTINKYG VPRHNAKYRY EYDVMKDKPY DATA SEQUENCE YLVTWANSSI EMLMSVFSHD DYLIAKELIV LSYSNRSTLA KLVSSPMSIL DATA SEQUENCE VALVDINGTF ITNEELELEF SNKYVRAIVP DQTFDELNQM LDNMRKAGLV DATA SEQUENCE DIPKMIQDWL VDRSIEKFPL MAKIYSWSFH VGFRKQKMLD AALDQXXXXX DATA SEQUENCE XXXXXXEMYR EYTMLIRDEV VKMLEEPVKH DDHLLRDSEL AGLLSMSSAS DATA SEQUENCE NGESRQLKFG RKTIFSTKKN MHVMDDMANE RYTPGIIPPV NVDKPIPLGR DATA SEQUENCE RDVPGRRTRI IFILPYEYFI AQHAVVEKML IYAKHTREYA EFYSQSNQLL DATA SEQUENCE SYGDVTRFLS NNTMVLYTDV SQWDSSQHNT QPFRKGIIMG LDILANMTND DATA SEQUENCE AKVLQTLNLY KQTQINLMDS YVQIPDGNVI KKIQYGAVAS GEKQTKAANS DATA SEQUENCE IANLALIKTV LSRISNKHSF ATKIIRVDGD DNYAVLQFNT EVTKQMIQDV DATA SEQUENCE SNDVRETYAR MNAKVKALVS TVGIEIAKRY IAGGKIFFRA GINLLNNEKR DATA SEQUENCE GQSTQWDQAA ILYSNYIVNR LRGFETDREF ILTKIMQMTS VAITGSLRLF DATA SEQUENCE PSERVLTTNS TFKVFDSEDF IIEYGTTVDE VYIQRAFMSL SSQKSGIADE DATA SEQUENCE IAASSTFKNY VTRLSEQLLF SKNNIVSRGI ALTEKAKLNS YAPISLEKRR DATA SEQUENCE AQISALLTML QKPVTFKSSK ITINDILRDI KPFFTVSDAH LPIQYQKFMP DATA SEQUENCE TLPDNVQYII QCIGSRTYQI EDDGSKSAIS RLISKYSVYK PSIEELYKVI DATA SEQUENCE SLHENEIQLY LISLGIPKID ADTYVGSKIY SRDKYRILES YVYNLLSINY DATA SEQUENCE GCYQLFDFNS PDLEKLIRIP FKGKIPAVTF ILHLYAKLEV INYAIKNGSW DATA SEQUENCE ISLFCNYPKS EMIKLWKKMW NITSLRSPYT NANFFQE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 2 G C 0.000 174.968 174.900 0.114 0.000 0.946 2 G CA 0.000 45.149 45.100 0.082 0.000 0.502 3 K N -0.177 120.296 120.400 0.122 0.000 2.365 3 K HA 0.085 4.405 4.320 0.001 0.000 0.199 3 K C 1.721 178.409 176.600 0.147 0.000 1.045 3 K CA 0.470 56.827 56.287 0.116 0.000 0.962 3 K CB -0.082 32.476 32.500 0.097 0.000 0.759 3 K HN 0.377 nan 8.250 nan 0.000 0.469 4 Y N 2.718 123.057 120.300 0.066 0.000 2.030 4 Y HA -0.332 4.218 4.550 0.001 0.000 0.274 4 Y C 1.880 177.805 175.900 0.042 0.000 1.153 4 Y CA 1.706 59.842 58.100 0.061 0.000 1.115 4 Y CB -0.310 38.226 38.460 0.126 0.000 0.969 4 Y HN 0.079 nan 8.280 nan 0.000 0.488 5 N N 0.045 118.901 118.700 0.261 0.000 2.322 5 N HA -0.185 4.555 4.740 0.001 0.000 0.189 5 N C 1.449 176.985 175.510 0.042 0.000 1.012 5 N CA 1.512 54.646 53.050 0.139 0.000 0.880 5 N CB -0.204 38.371 38.487 0.148 0.000 0.967 5 N HN 0.348 nan 8.380 nan 0.000 0.439 6 L N 0.110 121.357 121.223 0.040 0.000 2.200 6 L HA 0.122 4.463 4.340 0.001 0.000 0.200 6 L C 1.956 178.829 176.870 0.005 0.000 1.072 6 L CA 0.514 55.373 54.840 0.033 0.000 0.787 6 L CB -1.096 40.993 42.059 0.049 0.000 0.957 6 L HN 0.036 nan 8.230 nan 0.000 0.459 7 I N 0.548 121.111 120.570 -0.012 0.000 2.850 7 I HA -0.223 3.947 4.170 0.001 0.000 0.266 7 I C 2.471 178.544 176.117 -0.073 0.000 1.257 7 I CA 0.949 62.258 61.300 0.015 0.000 1.465 7 I CB -0.914 37.091 38.000 0.009 0.000 1.091 7 I HN 0.226 nan 8.210 nan 0.000 0.467 8 L N -0.059 121.036 121.223 -0.213 0.000 2.240 8 L HA -0.045 4.296 4.340 0.001 0.000 0.211 8 L C 2.506 179.287 176.870 -0.149 0.000 1.106 8 L CA 1.471 56.124 54.840 -0.313 0.000 0.793 8 L CB -0.361 41.477 42.059 -0.369 0.000 0.927 8 L HN 0.042 nan 8.230 nan 0.000 0.446 9 S N -0.693 114.977 115.700 -0.051 0.000 2.371 9 S HA -0.105 4.365 4.470 0.001 0.000 0.221 9 S C 1.758 176.377 174.600 0.031 0.000 1.036 9 S CA 0.931 59.128 58.200 -0.005 0.000 0.965 9 S CB -0.210 63.009 63.200 0.032 0.000 0.845 9 S HN 0.597 nan 8.310 nan 0.000 0.475 10 E N -0.368 119.888 120.200 0.094 0.000 2.171 10 E HA -0.226 4.124 4.350 0.001 0.000 0.197 10 E C 1.695 178.488 176.600 0.321 0.000 0.997 10 E CA 1.535 58.055 56.400 0.201 0.000 0.810 10 E CB -0.280 29.567 29.700 0.245 0.000 0.738 10 E HN 0.730 nan 8.360 nan 0.000 0.467 11 Y N 1.432 121.680 120.300 -0.087 0.000 2.130 11 Y HA -0.136 4.414 4.550 0.000 0.000 0.287 11 Y C 1.992 177.701 175.900 -0.318 0.000 1.124 11 Y CA 1.287 59.006 58.100 -0.634 0.000 1.118 11 Y CB -0.336 37.497 38.460 -1.044 0.000 0.994 11 Y HN -0.109 nan 8.280 nan 0.000 0.497 12 L N 0.123 121.085 121.223 -0.435 0.000 1.989 12 L HA -0.261 4.079 4.340 0.001 0.000 0.211 12 L C 2.583 179.291 176.870 -0.271 0.000 1.071 12 L CA 1.994 56.560 54.840 -0.457 0.000 0.749 12 L CB -1.200 40.773 42.059 -0.142 0.000 0.890 12 L HN 0.404 nan 8.230 nan 0.000 0.431 13 S N -0.769 114.888 115.700 -0.072 0.000 2.537 13 S HA -0.182 4.288 4.470 0.001 0.000 0.240 13 S C 1.609 176.231 174.600 0.037 0.000 0.981 13 S CA 0.793 59.003 58.200 0.016 0.000 0.948 13 S CB -0.578 62.655 63.200 0.055 0.000 0.759 13 S HN 0.468 nan 8.310 nan 0.000 0.531 14 F N 1.757 121.590 119.950 -0.195 0.000 2.343 14 F HA 0.351 4.879 4.527 0.000 0.000 0.286 14 F C 1.779 177.423 175.800 -0.259 0.000 1.057 14 F CA 0.122 58.044 58.000 -0.130 0.000 1.365 14 F CB -0.187 38.837 39.000 0.039 0.000 1.114 14 F HN 0.066 nan 8.300 nan 0.000 0.545 15 I N 0.135 120.241 120.570 -0.773 0.000 2.315 15 I HA -0.177 3.993 4.170 0.001 0.000 0.248 15 I C -0.162 175.553 176.117 -0.670 0.000 1.117 15 I CA 1.078 61.777 61.300 -1.001 0.000 1.404 15 I CB -1.261 35.880 38.000 -1.431 0.000 1.071 15 I HN 0.009 nan 8.210 nan 0.000 0.419 16 Y N 1.246 121.424 120.300 -0.203 0.000 2.335 16 Y HA 0.430 4.980 4.550 0.000 0.000 0.338 16 Y C -0.390 175.463 175.900 -0.079 0.000 0.977 16 Y CA -1.876 56.163 58.100 -0.102 0.000 1.114 16 Y CB 0.515 38.946 38.460 -0.048 0.000 1.182 16 Y HN 0.033 nan 8.280 nan 0.000 0.463 17 N N 1.593 120.341 118.700 0.080 0.000 2.461 17 N HA 0.658 5.399 4.740 0.001 0.000 0.284 17 N C -0.999 174.530 175.510 0.033 0.000 1.049 17 N CA -0.624 52.450 53.050 0.040 0.000 0.889 17 N CB 2.232 40.724 38.487 0.008 0.000 1.365 17 N HN 0.532 nan 8.380 nan 0.000 0.499 23 Q N 3.999 123.914 119.800 0.191 0.000 2.312 23 Q HA 0.721 5.061 4.340 0.001 0.000 0.263 23 Q C -1.016 175.115 176.000 0.217 0.000 0.995 23 Q CA -0.873 55.054 55.803 0.206 0.000 0.853 23 Q CB 2.572 31.424 28.738 0.189 0.000 1.300 23 Q HN 0.720 nan 8.270 nan 0.000 0.448 24 I N 3.792 124.474 120.570 0.187 0.000 2.621 24 I HA 0.277 4.447 4.170 0.001 0.000 0.276 24 I C -2.385 173.783 176.117 0.085 0.000 1.118 24 I CA -2.646 58.727 61.300 0.123 0.000 1.159 24 I CB 0.352 38.407 38.000 0.093 0.000 1.357 24 I HN 0.287 nan 8.210 nan 0.000 0.513 25 P HA 0.014 nan 4.420 nan 0.000 0.259 25 P C -0.459 176.898 177.300 0.096 0.000 1.163 25 P CA 0.463 63.678 63.100 0.193 0.000 0.760 25 P CB 0.418 32.422 31.700 0.507 0.000 0.762 26 I N 4.931 125.490 120.570 -0.018 0.000 2.355 26 I HA 0.299 4.469 4.170 0.001 0.000 0.288 26 I C 0.087 176.212 176.117 0.012 0.000 0.999 26 I CA -0.833 60.431 61.300 -0.060 0.000 1.163 26 I CB 0.187 38.085 38.000 -0.170 0.000 1.316 26 I HN 0.312 nan 8.210 nan 0.000 0.454 27 Y N 6.416 126.766 120.300 0.085 0.000 2.596 27 Y HA 0.657 5.208 4.550 0.001 0.000 0.326 27 Y C -0.018 175.999 175.900 0.196 0.000 1.167 27 Y CA -0.649 57.531 58.100 0.134 0.000 1.246 27 Y CB 1.467 39.984 38.460 0.094 0.000 1.347 27 Y HN 0.530 nan 8.280 nan 0.000 0.515 28 Y N -2.064 118.371 120.300 0.224 0.000 2.641 28 Y HA 0.699 5.250 4.550 0.001 0.000 0.333 28 Y C -1.354 174.559 175.900 0.022 0.000 1.174 28 Y CA -1.206 56.959 58.100 0.109 0.000 1.057 28 Y CB 1.614 40.143 38.460 0.115 0.000 1.322 28 Y HN 0.485 nan 8.280 nan 0.000 0.457 29 S N 0.394 116.038 115.700 -0.092 0.000 2.533 29 S HA 0.404 4.874 4.470 0.001 0.000 0.271 29 S C 0.232 174.595 174.600 -0.394 0.000 1.143 29 S CA -0.170 57.857 58.200 -0.288 0.000 0.891 29 S CB 1.311 64.410 63.200 -0.168 0.000 1.105 29 S HN 1.245 nan 8.310 nan 0.000 0.468 30 S N 2.880 118.292 115.700 -0.481 0.000 2.447 30 S HA -0.061 4.409 4.470 0.001 0.000 0.233 30 S C 0.671 175.164 174.600 -0.178 0.000 1.006 30 S CA 0.642 58.541 58.200 -0.502 0.000 0.957 30 S CB -0.577 62.517 63.200 -0.178 0.000 0.773 30 S HN 0.664 nan 8.310 nan 0.000 0.507 31 N N 1.625 120.249 118.700 -0.126 0.000 2.430 31 N HA 0.284 5.024 4.740 0.001 0.000 0.265 31 N C 0.719 176.212 175.510 -0.028 0.000 1.100 31 N CA 0.161 53.181 53.050 -0.050 0.000 0.961 31 N CB 0.964 39.425 38.487 -0.043 0.000 1.075 31 N HN 0.067 nan 8.380 nan 0.000 0.478 32 S N 3.140 118.844 115.700 0.006 0.000 2.359 32 S HA -0.254 4.217 4.470 0.001 0.000 0.223 32 S C 1.368 175.983 174.600 0.026 0.000 1.039 32 S CA 1.848 60.064 58.200 0.026 0.000 1.042 32 S CB -0.347 62.874 63.200 0.036 0.000 0.915 32 S HN 0.873 nan 8.310 nan 0.000 0.439 33 E N 0.853 121.064 120.200 0.018 0.000 2.106 33 E HA -0.111 4.240 4.350 0.001 0.000 0.192 33 E C 2.036 178.649 176.600 0.022 0.000 0.984 33 E CA 0.864 57.277 56.400 0.021 0.000 0.806 33 E CB -0.374 29.333 29.700 0.011 0.000 0.750 33 E HN 0.351 nan 8.360 nan 0.000 0.458 34 L N 1.509 122.736 121.223 0.006 0.000 2.141 34 L HA -0.081 4.259 4.340 0.001 0.000 0.209 34 L C 2.297 179.181 176.870 0.023 0.000 1.094 34 L CA 1.700 56.541 54.840 0.001 0.000 0.763 34 L CB -0.299 41.741 42.059 -0.031 0.000 0.908 34 L HN 0.069 nan 8.230 nan 0.000 0.437 35 E N 0.137 120.353 120.200 0.026 0.000 2.072 35 E HA -0.210 4.140 4.350 0.001 0.000 0.191 35 E C 1.888 178.542 176.600 0.089 0.000 0.985 35 E CA 1.400 57.837 56.400 0.063 0.000 0.801 35 E CB -0.206 29.532 29.700 0.064 0.000 0.750 35 E HN 0.697 nan 8.360 nan 0.000 0.452 36 N N 0.043 118.790 118.700 0.077 0.000 2.289 36 N HA -0.117 4.623 4.740 0.001 0.000 0.184 36 N C 1.826 177.403 175.510 0.111 0.000 1.016 36 N CA 0.365 53.466 53.050 0.085 0.000 0.872 36 N CB 0.102 38.631 38.487 0.069 0.000 0.973 36 N HN 0.011 nan 8.380 nan 0.000 0.433 37 R N 0.621 121.194 120.500 0.122 0.000 2.075 37 R HA 0.062 4.402 4.340 0.001 0.000 0.226 37 R C 2.229 178.617 176.300 0.147 0.000 1.114 37 R CA 0.562 56.783 56.100 0.202 0.000 0.972 37 R CB -1.042 29.360 30.300 0.170 0.000 0.869 37 R HN 0.311 nan 8.270 nan 0.000 0.437 38 C N 0.794 120.166 119.300 0.119 0.000 2.411 38 C HA -0.036 4.425 4.460 0.001 0.000 0.279 38 C C 2.737 177.822 174.990 0.159 0.000 1.288 38 C CA 0.508 59.617 59.018 0.151 0.000 1.764 38 C CB -0.928 26.912 27.740 0.167 0.000 1.974 38 C HN 0.366 nan 8.230 nan 0.000 0.498 39 I N 0.100 120.749 120.570 0.132 0.000 2.277 39 I HA -0.131 4.040 4.170 0.001 0.000 0.243 39 I C 2.550 178.706 176.117 0.064 0.000 1.094 39 I CA 1.317 62.695 61.300 0.129 0.000 1.393 39 I CB -0.638 37.423 38.000 0.102 0.000 1.078 39 I HN 0.385 nan 8.210 nan 0.000 0.417 40 E N 0.764 120.982 120.200 0.030 0.000 2.023 40 E HA -0.282 4.068 4.350 0.001 0.000 0.196 40 E C 2.121 178.580 176.600 -0.234 0.000 1.003 40 E CA 1.717 58.094 56.400 -0.039 0.000 0.809 40 E CB -0.290 29.470 29.700 0.099 0.000 0.755 40 E HN 0.327 nan 8.360 nan 0.000 0.449 41 F N 1.663 121.171 119.950 -0.737 0.000 2.115 41 F HA -0.283 4.244 4.527 0.001 0.000 0.300 41 F C 2.092 177.694 175.800 -0.332 0.000 1.092 41 F CA 2.207 59.657 58.000 -0.916 0.000 1.245 41 F CB -0.760 37.739 39.000 -0.835 0.000 0.995 41 F HN 0.161 nan 8.300 nan 0.000 0.481 42 H N -0.400 118.454 119.070 -0.360 0.000 2.325 42 H HA -0.200 4.356 4.556 0.001 0.000 0.296 42 H C 2.560 177.720 175.328 -0.280 0.000 1.053 42 H CA 2.006 57.858 56.048 -0.327 0.000 1.204 42 H CB -0.293 29.398 29.762 -0.119 0.000 1.383 42 H HN 0.334 nan 8.280 nan 0.000 0.532 43 S N 0.829 116.387 115.700 -0.236 0.000 2.372 43 S HA -0.241 4.229 4.470 0.001 0.000 0.227 43 S C 1.982 176.478 174.600 -0.174 0.000 1.044 43 S CA 1.792 59.833 58.200 -0.264 0.000 1.050 43 S CB -0.486 62.599 63.200 -0.190 0.000 0.901 43 S HN 0.457 nan 8.310 nan 0.000 0.447 44 K N 0.186 120.494 120.400 -0.153 0.000 2.152 44 K HA -0.046 4.275 4.320 0.001 0.000 0.206 44 K C 2.421 178.951 176.600 -0.116 0.000 1.048 44 K CA 1.338 57.568 56.287 -0.095 0.000 0.933 44 K CB -0.531 31.946 32.500 -0.038 0.000 0.721 44 K HN 0.467 nan 8.250 nan 0.000 0.447 45 C N 0.755 119.911 119.300 -0.240 0.000 2.476 45 C HA -0.021 4.440 4.460 0.001 0.000 0.278 45 C C 2.517 177.448 174.990 -0.098 0.000 1.274 45 C CA 0.379 59.261 59.018 -0.225 0.000 1.713 45 C CB -0.746 26.707 27.740 -0.477 0.000 2.039 45 C HN 0.417 nan 8.230 nan 0.000 0.484 46 L N 0.524 121.686 121.223 -0.102 0.000 2.013 46 L HA -0.196 4.144 4.340 0.001 0.000 0.212 46 L C 2.635 179.461 176.870 -0.073 0.000 1.073 46 L CA 1.740 56.532 54.840 -0.081 0.000 0.753 46 L CB -0.872 41.106 42.059 -0.135 0.000 0.890 46 L HN 0.298 nan 8.230 nan 0.000 0.432 47 E N 0.952 121.107 120.200 -0.076 0.000 2.021 47 E HA -0.244 4.107 4.350 0.001 0.000 0.200 47 E C 1.867 178.453 176.600 -0.023 0.000 1.015 47 E CA 1.906 58.275 56.400 -0.051 0.000 0.824 47 E CB -0.309 29.366 29.700 -0.041 0.000 0.762 47 E HN 0.407 nan 8.360 nan 0.000 0.454 48 N N -0.576 118.122 118.700 -0.003 0.000 2.149 48 N HA -0.140 4.601 4.740 0.001 0.000 0.188 48 N C 1.829 177.359 175.510 0.034 0.000 1.019 48 N CA 1.192 54.258 53.050 0.028 0.000 0.857 48 N CB -0.142 38.380 38.487 0.058 0.000 0.997 48 N HN 0.057 nan 8.380 nan 0.000 0.426 49 S N 0.814 116.532 115.700 0.030 0.000 2.402 49 S HA -0.087 4.384 4.470 0.001 0.000 0.229 49 S C 1.489 176.098 174.600 0.015 0.000 1.021 49 S CA 0.728 58.957 58.200 0.048 0.000 0.974 49 S CB -0.010 63.228 63.200 0.064 0.000 0.800 49 S HN 0.294 nan 8.310 nan 0.000 0.484 50 K N 1.055 121.437 120.400 -0.030 0.000 2.706 50 K HA 0.119 4.439 4.320 0.001 0.000 0.217 50 K C -0.175 176.408 176.600 -0.028 0.000 1.019 50 K CA 0.355 56.608 56.287 -0.056 0.000 1.181 50 K CB -0.143 32.308 32.500 -0.082 0.000 0.940 50 K HN 0.158 nan 8.250 nan 0.000 0.491 51 N N -1.360 117.339 118.700 -0.002 0.000 2.036 51 N HA 0.090 4.830 4.740 0.001 0.000 0.224 51 N C -0.390 175.133 175.510 0.023 0.000 1.381 51 N CA 0.382 53.436 53.050 0.006 0.000 0.746 51 N CB 1.556 40.046 38.487 0.006 0.000 1.213 51 N HN 0.217 nan 8.380 nan 0.000 0.524 52 G N 1.327 110.148 108.800 0.036 0.000 2.341 52 G HA2 -0.291 3.670 3.960 0.001 0.000 0.292 52 G HA3 -0.291 3.670 3.960 0.001 0.000 0.292 52 G C -0.373 174.557 174.900 0.049 0.000 1.021 52 G CA 0.455 45.584 45.100 0.048 0.000 0.905 52 G HN 0.262 nan 8.290 nan 0.000 0.508 53 L N 0.666 121.921 121.223 0.054 0.000 2.272 53 L HA 0.482 4.823 4.340 0.001 0.000 0.289 53 L C 1.187 178.107 176.870 0.083 0.000 1.032 53 L CA -0.646 54.231 54.840 0.061 0.000 0.810 53 L CB 1.764 43.856 42.059 0.055 0.000 1.205 53 L HN 0.202 nan 8.230 nan 0.000 0.422 54 S N 2.450 118.201 115.700 0.084 0.000 2.573 54 S HA 0.033 4.504 4.470 0.001 0.000 0.297 54 S C 1.148 175.838 174.600 0.151 0.000 1.280 54 S CA -0.206 58.056 58.200 0.103 0.000 1.061 54 S CB 0.333 63.583 63.200 0.083 0.000 0.812 54 S HN 0.543 nan 8.310 nan 0.000 0.500 55 L N 4.967 126.318 121.223 0.214 0.000 2.558 55 L HA 0.119 4.460 4.340 0.001 0.000 0.225 55 L C 2.524 179.668 176.870 0.457 0.000 1.128 55 L CA 0.224 55.275 54.840 0.352 0.000 0.868 55 L CB -0.388 41.991 42.059 0.534 0.000 1.006 55 L HN 0.739 nan 8.230 nan 0.000 0.454 56 R N 0.851 121.517 120.500 0.277 0.000 2.165 56 R HA -0.248 4.092 4.340 0.001 0.000 0.254 56 R C 2.158 178.610 176.300 0.253 0.000 1.153 56 R CA 1.657 57.888 56.100 0.217 0.000 0.971 56 R CB 0.055 30.418 30.300 0.106 0.000 0.878 56 R HN 0.161 nan 8.270 nan 0.000 0.449 57 K N 0.316 120.843 120.400 0.212 0.000 1.985 57 K HA -0.137 4.183 4.320 0.001 0.000 0.210 57 K C 2.097 178.831 176.600 0.223 0.000 1.047 57 K CA 1.079 57.471 56.287 0.175 0.000 0.932 57 K CB -0.651 31.931 32.500 0.136 0.000 0.716 57 K HN 0.162 nan 8.250 nan 0.000 0.439 58 L N 0.198 121.595 121.223 0.290 0.000 2.079 58 L HA -0.118 4.222 4.340 0.001 0.000 0.210 58 L C 2.270 179.333 176.870 0.321 0.000 1.081 58 L CA 1.414 56.471 54.840 0.361 0.000 0.752 58 L CB -0.799 41.487 42.059 0.378 0.000 0.896 58 L HN 0.061 nan 8.230 nan 0.000 0.433 59 F N -1.578 118.536 119.950 0.273 0.000 2.269 59 F HA -0.184 4.343 4.527 0.001 0.000 0.301 59 F C 2.179 177.977 175.800 -0.003 0.000 1.082 59 F CA 0.895 58.978 58.000 0.138 0.000 1.360 59 F CB -0.320 38.784 39.000 0.174 0.000 1.041 59 F HN -0.111 nan 8.300 nan 0.000 0.512 60 V N -0.867 119.160 119.914 0.188 0.000 2.374 60 V HA -0.185 3.935 4.120 0.001 0.000 0.241 60 V C 2.206 178.290 176.094 -0.017 0.000 1.034 60 V CA 1.560 63.903 62.300 0.071 0.000 1.037 60 V CB -0.653 31.212 31.823 0.070 0.000 0.682 60 V HN 0.229 nan 8.190 nan 0.000 0.463 61 E N 0.067 120.269 120.200 0.003 0.000 2.086 61 E HA -0.259 4.092 4.350 0.001 0.000 0.200 61 E C 0.859 177.254 176.600 -0.341 0.000 1.012 61 E CA 1.933 58.259 56.400 -0.122 0.000 0.812 61 E CB -0.109 29.582 29.700 -0.015 0.000 0.743 61 E HN 0.740 nan 8.360 nan 0.000 0.453 62 Y N 0.530 120.660 120.300 -0.283 0.000 2.839 62 Y HA 0.151 4.701 4.550 0.001 0.000 0.361 62 Y C 1.197 176.772 175.900 -0.543 0.000 1.008 62 Y CA -0.445 57.364 58.100 -0.485 0.000 1.534 62 Y CB 0.026 37.973 38.460 -0.855 0.000 1.395 62 Y HN 0.102 nan 8.280 nan 0.000 0.534 63 N N 1.252 119.814 118.700 -0.230 0.000 2.309 63 N HA -0.180 4.561 4.740 0.001 0.000 0.182 63 N C 1.363 176.762 175.510 -0.185 0.000 1.018 63 N CA 1.660 54.606 53.050 -0.173 0.000 0.876 63 N CB 0.163 38.596 38.487 -0.089 0.000 0.972 63 N HN 0.600 nan 8.380 nan 0.000 0.434 64 D N 0.614 120.902 120.400 -0.186 0.000 2.104 64 D HA -0.133 4.508 4.640 0.001 0.000 0.194 64 D C 2.080 178.270 176.300 -0.184 0.000 0.994 64 D CA 0.933 54.843 54.000 -0.151 0.000 0.830 64 D CB -0.728 39.995 40.800 -0.129 0.000 0.959 64 D HN 0.116 nan 8.370 nan 0.000 0.452 65 V N 1.481 121.237 119.914 -0.264 0.000 2.295 65 V HA -0.228 3.892 4.120 0.001 0.000 0.246 65 V C 2.760 178.528 176.094 -0.543 0.000 1.049 65 V CA 1.139 63.217 62.300 -0.370 0.000 1.024 65 V CB -0.436 31.104 31.823 -0.471 0.000 0.648 65 V HN 0.161 nan 8.190 nan 0.000 0.447 66 I N 0.203 120.437 120.570 -0.561 0.000 2.163 66 I HA -0.243 3.927 4.170 0.001 0.000 0.243 66 I C 2.509 178.562 176.117 -0.107 0.000 1.085 66 I CA 1.800 62.870 61.300 -0.385 0.000 1.347 66 I CB -1.286 36.627 38.000 -0.145 0.000 1.044 66 I HN 0.477 nan 8.210 nan 0.000 0.408 67 E N 0.785 120.925 120.200 -0.100 0.000 2.028 67 E HA -0.125 4.225 4.350 0.001 0.000 0.190 67 E C 1.287 177.873 176.600 -0.023 0.000 0.984 67 E CA 1.007 57.386 56.400 -0.035 0.000 0.800 67 E CB -0.032 29.641 29.700 -0.044 0.000 0.758 67 E HN 0.541 nan 8.360 nan 0.000 0.448 68 N N -0.154 118.514 118.700 -0.055 0.000 2.203 68 N HA 0.170 4.910 4.740 0.001 0.000 0.207 68 N C -0.310 175.167 175.510 -0.055 0.000 1.130 68 N CA 0.068 53.092 53.050 -0.045 0.000 0.861 68 N CB 1.279 39.735 38.487 -0.050 0.000 1.005 68 N HN -0.028 nan 8.380 nan 0.000 0.507 69 A N 0.327 123.122 122.820 -0.041 0.000 2.288 69 A HA 0.684 5.004 4.320 0.001 0.000 0.328 69 A C -0.045 177.552 177.584 0.023 0.000 1.123 69 A CA -0.323 51.690 52.037 -0.041 0.000 0.861 69 A CB 0.701 19.701 19.000 0.000 0.000 1.272 69 A HN 0.027 nan 8.150 nan 0.000 0.490 70 T N 1.660 116.068 114.554 -0.244 0.000 2.767 70 T HA 0.386 4.736 4.350 0.001 0.000 0.288 70 T C -0.108 174.492 174.700 -0.166 0.000 0.963 70 T CA -0.218 61.712 62.100 -0.282 0.000 1.019 70 T CB 0.604 69.085 68.868 -0.644 0.000 0.923 70 T HN 0.517 nan 8.240 nan 0.000 0.468 71 L N 4.667 125.809 121.223 -0.135 0.000 2.534 71 L HA 0.156 4.496 4.340 0.001 0.000 0.271 71 L C 0.877 177.755 176.870 0.013 0.000 1.178 71 L CA 0.053 54.661 54.840 -0.386 0.000 0.907 71 L CB 0.136 41.981 42.059 -0.357 0.000 1.164 71 L HN 0.624 nan 8.230 nan 0.000 0.482 72 L N 4.013 125.299 121.223 0.105 0.000 2.298 72 L HA 0.337 4.678 4.340 0.001 0.000 0.209 72 L C 0.531 177.493 176.870 0.154 0.000 1.084 72 L CA 1.303 56.304 54.840 0.269 0.000 0.816 72 L CB -0.163 42.082 42.059 0.311 0.000 0.967 72 L HN 0.918 nan 8.230 nan 0.000 0.460 73 S N -1.930 113.812 115.700 0.070 0.000 2.633 73 S HA 0.439 4.909 4.470 0.001 0.000 0.271 73 S C -1.004 173.641 174.600 0.075 0.000 1.112 73 S CA -0.905 57.358 58.200 0.105 0.000 0.828 73 S CB 0.234 63.509 63.200 0.125 0.000 1.086 73 S HN -0.009 nan 8.310 nan 0.000 0.461 74 I N 1.743 122.407 120.570 0.156 0.000 2.382 74 I HA 0.399 4.569 4.170 0.001 0.000 0.286 74 I C -0.715 175.550 176.117 0.247 0.000 1.002 74 I CA -0.721 60.681 61.300 0.171 0.000 1.135 74 I CB 1.601 39.703 38.000 0.170 0.000 1.288 74 I HN 0.684 nan 8.210 nan 0.000 0.448 75 L N 5.960 127.296 121.223 0.190 0.000 2.305 75 L HA 0.369 4.709 4.340 0.001 0.000 0.281 75 L C 0.121 177.150 176.870 0.265 0.000 1.085 75 L CA 0.227 55.192 54.840 0.209 0.000 0.813 75 L CB 1.282 43.428 42.059 0.146 0.000 1.157 75 L HN 0.553 nan 8.230 nan 0.000 0.436 76 S N 4.233 120.124 115.700 0.318 0.000 2.566 76 S HA 0.325 4.795 4.470 0.001 0.000 0.324 76 S C -1.185 173.535 174.600 0.200 0.000 1.081 76 S CA -0.477 57.905 58.200 0.303 0.000 1.105 76 S CB 0.457 63.961 63.200 0.506 0.000 0.981 76 S HN 0.504 nan 8.310 nan 0.000 0.464 77 Y N 5.244 125.581 120.300 0.062 0.000 2.369 77 Y HA 0.613 5.164 4.550 0.001 0.000 0.337 77 Y C -0.532 175.354 175.900 -0.023 0.000 0.961 77 Y CA -0.887 57.230 58.100 0.028 0.000 1.186 77 Y CB 0.748 39.239 38.460 0.052 0.000 1.139 77 Y HN 0.604 nan 8.280 nan 0.000 0.494 78 S N 4.959 120.249 115.700 -0.683 0.000 2.538 78 S HA 0.392 4.862 4.470 0.001 0.000 0.288 78 S C -1.470 172.803 174.600 -0.545 0.000 1.108 78 S CA -0.756 57.042 58.200 -0.670 0.000 0.971 78 S CB 1.367 64.095 63.200 -0.787 0.000 1.041 78 S HN 0.630 nan 8.310 nan 0.000 0.483 79 Y N 2.179 122.130 120.300 -0.581 0.000 2.635 79 Y HA 0.399 4.950 4.550 0.001 0.000 0.373 79 Y C -0.268 175.433 175.900 -0.332 0.000 1.000 79 Y CA -0.578 57.284 58.100 -0.397 0.000 1.219 79 Y CB 0.008 38.313 38.460 -0.257 0.000 1.294 79 Y HN 0.887 nan 8.280 nan 0.000 0.612 80 D N 0.520 120.560 120.400 -0.599 0.000 2.392 80 D HA 0.240 4.881 4.640 0.001 0.000 0.246 80 D C 0.067 175.898 176.300 -0.782 0.000 1.013 80 D CA -0.408 53.295 54.000 -0.494 0.000 0.993 80 D CB 1.839 42.475 40.800 -0.273 0.000 1.219 80 D HN 0.074 nan 8.370 nan 0.000 0.538 81 K N 1.390 121.508 120.400 -0.471 0.000 2.469 81 K HA 0.017 4.338 4.320 0.001 0.000 0.201 81 K C -0.433 176.030 176.600 -0.228 0.000 1.028 81 K CA -0.361 55.692 56.287 -0.391 0.000 1.170 81 K CB -0.720 31.660 32.500 -0.200 0.000 0.874 81 K HN 0.380 nan 8.250 nan 0.000 0.507 82 Y N 1.316 121.586 120.300 -0.049 0.000 3.152 82 Y HA -0.280 4.271 4.550 0.000 0.000 0.212 82 Y C 0.640 176.549 175.900 0.016 0.000 1.198 82 Y CA 0.645 58.748 58.100 0.005 0.000 1.220 82 Y CB -2.851 35.615 38.460 0.011 0.000 1.326 82 Y HN 0.404 nan 8.280 nan 0.000 0.562 83 N N -1.317 117.454 118.700 0.118 0.000 2.197 83 N HA 0.425 5.165 4.740 0.001 0.000 0.228 83 N C 1.357 176.915 175.510 0.079 0.000 1.212 83 N CA 0.454 53.557 53.050 0.088 0.000 0.883 83 N CB 0.067 38.580 38.487 0.043 0.000 1.107 83 N HN 0.300 nan 8.380 nan 0.000 0.519 84 A N 0.799 123.672 122.820 0.088 0.000 2.070 84 A HA 0.002 4.322 4.320 0.001 0.000 0.220 84 A C 2.065 179.683 177.584 0.057 0.000 1.159 84 A CA 1.057 53.125 52.037 0.052 0.000 0.656 84 A CB -0.466 18.558 19.000 0.040 0.000 0.800 84 A HN 0.113 nan 8.150 nan 0.000 0.453 85 V N 0.309 120.280 119.914 0.095 0.000 2.270 85 V HA -0.226 3.894 4.120 0.001 0.000 0.245 85 V C 2.533 178.706 176.094 0.133 0.000 1.043 85 V CA 2.057 64.431 62.300 0.123 0.000 1.014 85 V CB -0.736 31.181 31.823 0.157 0.000 0.645 85 V HN 0.556 nan 8.190 nan 0.000 0.447 86 E N 0.385 120.655 120.200 0.116 0.000 2.021 86 E HA -0.292 4.058 4.350 0.001 0.000 0.200 86 E C 2.289 178.946 176.600 0.096 0.000 1.015 86 E CA 1.727 58.190 56.400 0.105 0.000 0.824 86 E CB -0.510 29.239 29.700 0.083 0.000 0.762 86 E HN 0.490 nan 8.360 nan 0.000 0.454 87 R N 1.206 121.751 120.500 0.074 0.000 2.112 87 R HA -0.183 4.157 4.340 0.001 0.000 0.242 87 R C 2.301 178.650 176.300 0.082 0.000 1.137 87 R CA 1.991 58.128 56.100 0.061 0.000 0.944 87 R CB -0.079 30.244 30.300 0.038 0.000 0.857 87 R HN 0.078 nan 8.270 nan 0.000 0.435 88 K N 0.192 120.650 120.400 0.097 0.000 2.211 88 K HA -0.166 4.154 4.320 0.001 0.000 0.204 88 K C 1.975 178.737 176.600 0.271 0.000 1.047 88 K CA 0.983 57.361 56.287 0.152 0.000 0.935 88 K CB -0.192 32.381 32.500 0.123 0.000 0.728 88 K HN 0.166 nan 8.250 nan 0.000 0.452 89 L N 1.220 122.593 121.223 0.250 0.000 2.275 89 L HA -0.130 4.210 4.340 0.001 0.000 0.215 89 L C 1.991 179.007 176.870 0.243 0.000 1.119 89 L CA 1.073 56.098 54.840 0.307 0.000 0.790 89 L CB -0.360 41.827 42.059 0.214 0.000 0.919 89 L HN 0.004 nan 8.230 nan 0.000 0.443 90 V N -1.209 118.788 119.914 0.139 0.000 2.219 90 V HA -0.377 3.744 4.120 0.001 0.000 0.248 90 V C 2.409 178.516 176.094 0.022 0.000 1.053 90 V CA 2.354 64.695 62.300 0.067 0.000 1.009 90 V CB -1.729 30.115 31.823 0.034 0.000 0.636 90 V HN 0.583 nan 8.190 nan 0.000 0.445 91 K N 0.254 120.622 120.400 -0.054 0.000 2.227 91 K HA -0.265 4.056 4.320 0.001 0.000 0.208 91 K C 1.892 178.280 176.600 -0.354 0.000 1.045 91 K CA 2.672 58.803 56.287 -0.260 0.000 0.931 91 K CB -0.801 31.421 32.500 -0.465 0.000 0.721 91 K HN 0.688 nan 8.250 nan 0.000 0.469 92 Y N 0.053 120.409 120.300 0.094 0.000 2.457 92 Y HA 0.304 4.855 4.550 0.000 0.000 0.263 92 Y C 0.911 176.791 175.900 -0.032 0.000 1.164 92 Y CA -0.237 57.903 58.100 0.067 0.000 1.274 92 Y CB 0.583 39.133 38.460 0.150 0.000 1.097 92 Y HN 0.007 nan 8.280 nan 0.000 0.523 93 A N 0.844 123.704 122.820 0.067 0.000 2.969 93 A HA 0.451 4.771 4.320 0.001 0.000 0.328 93 A C 0.656 178.242 177.584 0.003 0.000 1.355 93 A CA -0.415 51.631 52.037 0.014 0.000 1.018 93 A CB -0.062 18.943 19.000 0.009 0.000 1.159 93 A HN 0.107 nan 8.150 nan 0.000 0.505 94 K N 0.898 121.301 120.400 0.005 0.000 2.520 94 K HA 0.182 4.502 4.320 0.001 0.000 0.206 94 K C 0.710 177.311 176.600 0.001 0.000 1.122 94 K CA 0.402 56.689 56.287 -0.001 0.000 1.045 94 K CB 1.365 33.865 32.500 -0.001 0.000 0.932 94 K HN 0.605 nan 8.250 nan 0.000 0.571 95 G N 1.542 110.342 108.800 0.000 0.000 2.491 95 G HA2 0.287 4.248 3.960 0.001 0.000 0.327 95 G HA3 0.287 4.248 3.960 0.001 0.000 0.327 95 G C -0.658 174.235 174.900 -0.012 0.000 1.189 95 G CA -0.668 44.431 45.100 -0.000 0.000 0.956 95 G HN 0.079 nan 8.290 nan 0.000 0.491 96 K N 1.080 121.474 120.400 -0.011 0.000 2.378 96 K HA 0.294 4.615 4.320 0.001 0.000 0.288 96 K C -2.540 174.043 176.600 -0.029 0.000 1.057 96 K CA -0.977 55.300 56.287 -0.018 0.000 0.971 96 K CB 0.621 33.114 32.500 -0.011 0.000 0.975 96 K HN 0.063 nan 8.250 nan 0.000 0.475 97 P HA -0.089 nan 4.420 nan 0.000 0.267 97 P C -0.407 176.857 177.300 -0.059 0.000 1.201 97 P CA 0.015 63.086 63.100 -0.049 0.000 0.775 97 P CB 0.444 32.118 31.700 -0.044 0.000 0.854 98 L N 1.781 122.913 121.223 -0.151 0.000 2.395 98 L HA 0.283 4.624 4.340 0.001 0.000 0.269 98 L C 0.767 177.669 176.870 0.053 0.000 1.133 98 L CA -0.132 54.611 54.840 -0.162 0.000 0.812 98 L CB 0.487 42.221 42.059 -0.542 0.000 1.125 98 L HN 0.355 nan 8.230 nan 0.000 0.452 99 E N 1.780 122.050 120.200 0.116 0.000 2.145 99 E HA 0.422 4.772 4.350 0.001 0.000 0.262 99 E C -0.646 176.042 176.600 0.147 0.000 0.883 99 E CA -0.492 56.000 56.400 0.153 0.000 0.748 99 E CB 1.634 31.380 29.700 0.076 0.000 1.140 99 E HN 0.570 nan 8.360 nan 0.000 0.417 100 A N 4.315 127.201 122.820 0.111 0.000 2.524 100 A HA 0.098 4.418 4.320 0.001 0.000 0.250 100 A C 0.023 177.579 177.584 -0.047 0.000 1.078 100 A CA -0.056 51.939 52.037 -0.070 0.000 0.761 100 A CB 0.121 18.932 19.000 -0.315 0.000 1.012 100 A HN 0.619 nan 8.150 nan 0.000 0.500 101 D N 3.492 123.864 120.400 -0.046 0.000 2.453 101 D HA 0.129 4.769 4.640 0.001 0.000 0.223 101 D C 0.381 176.645 176.300 -0.059 0.000 1.183 101 D CA -0.462 53.516 54.000 -0.036 0.000 0.933 101 D CB 0.304 41.090 40.800 -0.023 0.000 1.038 101 D HN 0.287 nan 8.370 nan 0.000 0.513 102 L N 3.845 125.035 121.223 -0.054 0.000 2.855 102 L HA 0.054 4.394 4.340 0.001 0.000 0.257 102 L C 1.341 178.180 176.870 -0.051 0.000 1.206 102 L CA 0.477 55.282 54.840 -0.058 0.000 1.042 102 L CB -1.594 40.436 42.059 -0.047 0.000 1.321 102 L HN 0.352 nan 8.230 nan 0.000 0.417 103 T N -1.770 112.754 114.554 -0.049 0.000 2.959 103 T HA 0.014 4.365 4.350 0.001 0.000 0.254 103 T C 1.833 176.504 174.700 -0.049 0.000 1.003 103 T CA 0.591 62.665 62.100 -0.043 0.000 0.950 103 T CB 0.641 69.490 68.868 -0.031 0.000 1.090 103 T HN 0.281 nan 8.240 nan 0.000 0.503 104 V N 0.411 120.291 119.914 -0.056 0.000 2.515 104 V HA 0.107 4.227 4.120 0.001 0.000 0.250 104 V C 0.454 176.504 176.094 -0.072 0.000 1.058 104 V CA 0.657 62.921 62.300 -0.059 0.000 1.064 104 V CB -0.588 31.198 31.823 -0.061 0.000 0.675 104 V HN 0.305 nan 8.190 nan 0.000 0.461 105 N N 1.215 119.861 118.700 -0.090 0.000 2.456 105 N HA 0.234 4.974 4.740 0.001 0.000 0.288 105 N C 0.501 175.947 175.510 -0.107 0.000 1.059 105 N CA -0.421 52.563 53.050 -0.111 0.000 0.946 105 N CB 1.927 40.326 38.487 -0.146 0.000 1.150 105 N HN 0.351 nan 8.380 nan 0.000 0.479 106 E N 1.435 121.570 120.200 -0.108 0.000 1.993 106 E HA -0.019 4.332 4.350 0.001 0.000 0.198 106 E C 0.462 176.986 176.600 -0.127 0.000 0.999 106 E CA 0.697 57.040 56.400 -0.095 0.000 0.850 106 E CB -0.254 29.397 29.700 -0.082 0.000 0.796 106 E HN 0.478 nan 8.360 nan 0.000 0.482 107 L N 3.431 124.541 121.223 -0.188 0.000 2.593 107 L HA -0.106 4.234 4.340 0.001 0.000 0.287 107 L C 1.772 178.467 176.870 -0.291 0.000 1.243 107 L CA -0.172 54.503 54.840 -0.275 0.000 0.890 107 L CB 0.003 41.733 42.059 -0.548 0.000 1.134 107 L HN 0.353 nan 8.230 nan 0.000 0.502 108 D N 3.451 123.760 120.400 -0.153 0.000 2.117 108 D HA -0.289 4.352 4.640 0.001 0.000 0.197 108 D C 1.697 177.958 176.300 -0.065 0.000 0.987 108 D CA 1.896 55.848 54.000 -0.081 0.000 0.829 108 D CB -0.390 40.402 40.800 -0.013 0.000 0.961 108 D HN 0.759 nan 8.370 nan 0.000 0.460 109 Y N 0.372 120.654 120.300 -0.030 0.000 2.639 109 Y HA 0.197 4.747 4.550 -0.000 0.000 0.297 109 Y C 1.783 177.774 175.900 0.153 0.000 1.151 109 Y CA 0.361 58.447 58.100 -0.022 0.000 1.335 109 Y CB -0.584 37.835 38.460 -0.068 0.000 0.994 109 Y HN -0.078 nan 8.280 nan 0.000 0.548 110 E N 0.624 120.679 120.200 -0.241 0.000 2.299 110 E HA -0.031 4.319 4.350 0.001 0.000 0.193 110 E C 0.071 176.632 176.600 -0.065 0.000 0.998 110 E CA -0.004 56.324 56.400 -0.120 0.000 0.851 110 E CB -0.008 29.517 29.700 -0.291 0.000 0.795 110 E HN 0.529 nan 8.360 nan 0.000 0.492 111 N N 1.920 120.596 118.700 -0.039 0.000 2.530 111 N HA -0.017 4.723 4.740 0.001 0.000 0.273 111 N C 0.021 175.564 175.510 0.055 0.000 1.173 111 N CA 0.015 53.034 53.050 -0.051 0.000 0.967 111 N CB 0.535 38.986 38.487 -0.061 0.000 1.109 111 N HN -0.036 nan 8.380 nan 0.000 0.453 112 N N 1.835 120.509 118.700 -0.044 0.000 3.105 112 N HA -0.020 4.720 4.740 0.001 0.000 0.309 112 N C -0.311 175.169 175.510 -0.049 0.000 1.291 112 N CA 0.270 53.312 53.050 -0.013 0.000 1.153 112 N CB -0.200 38.065 38.487 -0.369 0.000 1.447 112 N HN 0.380 nan 8.380 nan 0.000 0.555 113 K N 0.097 120.504 120.400 0.013 0.000 2.136 113 K HA 0.152 4.472 4.320 0.001 0.000 0.237 113 K C 0.801 177.387 176.600 -0.023 0.000 1.048 113 K CA -0.450 55.822 56.287 -0.026 0.000 0.880 113 K CB 0.444 32.921 32.500 -0.038 0.000 1.105 113 K HN 0.112 nan 8.250 nan 0.000 0.507 114 M N 1.201 120.785 119.600 -0.028 0.000 2.240 114 M HA -0.010 4.471 4.480 0.001 0.000 0.333 114 M C 1.464 177.766 176.300 0.004 0.000 1.110 114 M CA 0.633 55.920 55.300 -0.020 0.000 1.173 114 M CB 0.253 32.853 32.600 -0.000 0.000 1.458 114 M HN 0.671 nan 8.290 nan 0.000 0.458 115 T N 1.438 116.024 114.554 0.053 0.000 2.635 115 T HA -0.157 4.193 4.350 0.001 0.000 0.267 115 T C 1.816 176.588 174.700 0.120 0.000 1.040 115 T CA 2.378 64.567 62.100 0.148 0.000 1.156 115 T CB -0.279 68.709 68.868 0.200 0.000 0.863 115 T HN 0.865 nan 8.240 nan 0.000 0.430 116 S N 1.870 117.632 115.700 0.103 0.000 2.387 116 S HA -0.190 4.280 4.470 0.001 0.000 0.230 116 S C 1.853 176.480 174.600 0.044 0.000 1.035 116 S CA 1.030 59.313 58.200 0.139 0.000 1.014 116 S CB -0.474 62.778 63.200 0.086 0.000 0.836 116 S HN 0.392 nan 8.310 nan 0.000 0.466 117 E N 1.358 121.547 120.200 -0.019 0.000 2.204 117 E HA 0.026 4.376 4.350 0.001 0.000 0.195 117 E C 1.983 178.486 176.600 -0.162 0.000 0.990 117 E CA 0.823 57.185 56.400 -0.063 0.000 0.821 117 E CB -0.330 29.337 29.700 -0.054 0.000 0.750 117 E HN 0.618 nan 8.360 nan 0.000 0.477 118 L N -1.319 119.718 121.223 -0.310 0.000 2.298 118 L HA 0.082 4.422 4.340 0.001 0.000 0.209 118 L C 0.095 176.382 176.870 -0.973 0.000 1.084 118 L CA 0.274 54.690 54.840 -0.708 0.000 0.816 118 L CB 0.291 41.729 42.059 -1.036 0.000 0.967 118 L HN -0.075 nan 8.230 nan 0.000 0.460 119 F N -0.959 118.998 119.950 0.012 0.000 2.771 119 F HA 0.359 4.887 4.527 0.002 0.000 0.365 119 F C -2.067 173.791 175.800 0.096 0.000 1.169 119 F CA -2.325 55.699 58.000 0.039 0.000 1.093 119 F CB 0.752 39.819 39.000 0.112 0.000 1.363 119 F HN -0.286 nan 8.300 nan 0.000 0.496 120 P HA -0.013 nan 4.420 nan 0.000 0.221 120 P C -0.021 177.366 177.300 0.145 0.000 1.150 120 P CA 1.303 64.488 63.100 0.142 0.000 0.800 120 P CB 0.307 32.050 31.700 0.071 0.000 0.787 121 T N -3.067 111.502 114.554 0.024 0.000 2.916 121 T HA 0.592 4.943 4.350 0.001 0.000 0.292 121 T C 0.993 175.381 174.700 -0.519 0.000 1.064 121 T CA -0.484 61.556 62.100 -0.101 0.000 1.011 121 T CB 1.795 70.631 68.868 -0.054 0.000 1.152 121 T HN -0.194 nan 8.240 nan 0.000 0.510 122 A N 0.024 122.543 122.820 -0.502 0.000 2.121 122 A HA 0.026 4.346 4.320 0.001 0.000 0.218 122 A C 1.668 179.060 177.584 -0.321 0.000 1.154 122 A CA 1.066 52.717 52.037 -0.644 0.000 0.679 122 A CB -0.649 18.285 19.000 -0.110 0.000 0.795 122 A HN 0.786 nan 8.150 nan 0.000 0.458 123 E N -0.078 119.996 120.200 -0.209 0.000 2.400 123 E HA 0.025 4.376 4.350 0.001 0.000 0.195 123 E C 1.396 177.907 176.600 -0.148 0.000 1.012 123 E CA 0.783 57.102 56.400 -0.134 0.000 0.875 123 E CB 0.044 29.696 29.700 -0.081 0.000 0.859 123 E HN 0.770 nan 8.360 nan 0.000 0.498 124 E N -0.631 119.470 120.200 -0.165 0.000 2.415 124 E HA 0.007 4.357 4.350 0.001 0.000 0.197 124 E C -0.094 176.320 176.600 -0.311 0.000 1.007 124 E CA -0.236 56.099 56.400 -0.108 0.000 0.890 124 E CB 0.142 29.872 29.700 0.050 0.000 0.891 124 E HN 0.180 nan 8.360 nan 0.000 0.496 125 Y N 1.775 121.724 120.300 -0.586 0.000 2.426 125 Y HA 0.172 4.723 4.550 0.000 0.000 0.344 125 Y C -0.144 175.284 175.900 -0.787 0.000 1.256 125 Y CA 0.233 57.802 58.100 -0.885 0.000 1.451 125 Y CB 1.157 39.298 38.460 -0.532 0.000 1.342 125 Y HN -0.246 nan 8.280 nan 0.000 0.600 126 T N 4.245 117.670 114.554 -1.881 0.000 3.767 126 T HA 0.171 4.521 4.350 0.001 0.000 0.360 126 T C -0.460 173.642 174.700 -0.996 0.000 1.181 126 T CA -0.304 61.057 62.100 -1.231 0.000 1.110 126 T CB 0.134 68.558 68.868 -0.740 0.000 1.201 126 T HN 0.734 nan 8.240 nan 0.000 0.474 127 D N 2.683 122.681 120.400 -0.670 0.000 2.363 127 D HA 0.002 4.643 4.640 0.001 0.000 0.220 127 D C 1.978 178.252 176.300 -0.044 0.000 0.994 127 D CA 1.027 54.924 54.000 -0.172 0.000 0.890 127 D CB -0.083 40.709 40.800 -0.013 0.000 0.906 127 D HN 0.437 nan 8.370 nan 0.000 0.530 128 S N 0.284 115.916 115.700 -0.114 0.000 2.443 128 S HA -0.237 4.233 4.470 0.001 0.000 0.246 128 S C 1.522 176.154 174.600 0.054 0.000 1.058 128 S CA 1.187 59.360 58.200 -0.046 0.000 1.028 128 S CB -0.479 62.664 63.200 -0.094 0.000 0.821 128 S HN 0.490 nan 8.310 nan 0.000 0.484 129 L N -0.360 120.968 121.223 0.175 0.000 2.640 129 L HA 0.317 4.658 4.340 0.001 0.000 0.230 129 L C 1.630 178.651 176.870 0.253 0.000 1.123 129 L CA 0.257 55.273 54.840 0.293 0.000 0.900 129 L CB 0.013 42.351 42.059 0.466 0.000 1.146 129 L HN 0.516 nan 8.230 nan 0.000 0.484 130 M N -4.363 115.262 119.600 0.041 0.000 2.075 130 M HA 0.321 4.801 4.480 0.001 0.000 0.358 130 M C 0.140 176.455 176.300 0.024 0.000 0.855 130 M CA -0.196 55.066 55.300 -0.063 0.000 1.148 130 M CB -0.233 31.989 32.600 -0.630 0.000 2.163 130 M HN -0.193 nan 8.290 nan 0.000 0.734 131 D N 4.289 124.714 120.400 0.042 0.000 3.061 131 D HA -0.028 4.613 4.640 0.001 0.000 0.226 131 D C -1.579 174.787 176.300 0.110 0.000 1.168 131 D CA -0.124 53.933 54.000 0.094 0.000 0.822 131 D CB 0.833 41.664 40.800 0.051 0.000 1.152 131 D HN 0.167 nan 8.370 nan 0.000 0.555 132 P HA -0.016 nan 4.420 nan 0.000 0.225 132 P C 0.148 177.509 177.300 0.101 0.000 1.148 132 P CA 1.297 64.492 63.100 0.158 0.000 0.779 132 P CB -0.052 31.779 31.700 0.218 0.000 0.780 133 A N -1.030 121.838 122.820 0.080 0.000 2.462 133 A HA -0.210 4.110 4.320 0.001 0.000 0.294 133 A C 0.278 177.868 177.584 0.010 0.000 1.461 133 A CA 0.870 52.925 52.037 0.029 0.000 0.765 133 A CB -2.463 16.529 19.000 -0.014 0.000 1.071 133 A HN 0.390 nan 8.150 nan 0.000 0.401 134 I N -1.308 119.266 120.570 0.006 0.000 2.994 134 I HA 0.495 4.665 4.170 0.001 0.000 0.306 134 I C -0.210 175.818 176.117 -0.149 0.000 1.195 134 I CA -1.270 59.998 61.300 -0.055 0.000 1.001 134 I CB 1.602 39.581 38.000 -0.036 0.000 1.244 134 I HN 0.010 nan 8.210 nan 0.000 0.437 135 L N 4.069 125.130 121.223 -0.269 0.000 2.888 135 L HA 0.334 4.675 4.340 0.001 0.000 0.237 135 L C 0.212 176.400 176.870 -1.135 0.000 1.288 135 L CA 0.616 55.097 54.840 -0.598 0.000 1.110 135 L CB -0.640 41.202 42.059 -0.363 0.000 1.441 135 L HN 0.467 nan 8.230 nan 0.000 0.474 136 T N -1.406 112.684 114.554 -0.773 0.000 2.912 136 T HA 0.514 4.864 4.350 0.001 0.000 0.299 136 T C 0.015 174.567 174.700 -0.245 0.000 1.052 136 T CA -0.458 61.295 62.100 -0.578 0.000 0.996 136 T CB 1.180 69.880 68.868 -0.281 0.000 1.070 136 T HN 0.234 nan 8.240 nan 0.000 0.465 137 S N 3.474 119.133 115.700 -0.068 0.000 2.614 137 S HA 0.294 4.765 4.470 0.001 0.000 0.265 137 S C 1.311 175.970 174.600 0.098 0.000 1.303 137 S CA -0.643 57.502 58.200 -0.092 0.000 1.000 137 S CB 0.770 63.687 63.200 -0.472 0.000 0.935 137 S HN 0.697 nan 8.310 nan 0.000 0.551 138 L N 1.768 123.141 121.223 0.249 0.000 2.313 138 L HA 0.117 4.457 4.340 0.001 0.000 0.214 138 L C 2.182 179.186 176.870 0.224 0.000 1.119 138 L CA 1.595 56.572 54.840 0.229 0.000 0.809 138 L CB -1.084 41.096 42.059 0.201 0.000 0.933 138 L HN 0.799 nan 8.230 nan 0.000 0.449 139 S N -0.755 115.101 115.700 0.260 0.000 2.368 139 S HA -0.133 4.337 4.470 0.001 0.000 0.224 139 S C 1.977 176.708 174.600 0.218 0.000 1.029 139 S CA 1.378 59.731 58.200 0.256 0.000 0.988 139 S CB -0.366 63.017 63.200 0.305 0.000 0.838 139 S HN 0.568 nan 8.310 nan 0.000 0.462 140 S N 2.559 118.370 115.700 0.185 0.000 2.348 140 S HA -0.081 4.389 4.470 0.001 0.000 0.221 140 S C 1.785 176.481 174.600 0.159 0.000 1.033 140 S CA 1.049 59.341 58.200 0.152 0.000 1.010 140 S CB -0.561 62.691 63.200 0.087 0.000 0.891 140 S HN 0.463 nan 8.310 nan 0.000 0.442 141 N N 1.632 120.426 118.700 0.157 0.000 2.258 141 N HA -0.058 4.682 4.740 0.001 0.000 0.187 141 N C 1.542 177.190 175.510 0.229 0.000 1.012 141 N CA 0.787 53.967 53.050 0.217 0.000 0.870 141 N CB -0.523 38.080 38.487 0.194 0.000 0.977 141 N HN 0.370 nan 8.380 nan 0.000 0.434 142 L N 0.604 121.964 121.223 0.229 0.000 2.049 142 L HA -0.057 4.283 4.340 0.001 0.000 0.203 142 L C 1.933 178.950 176.870 0.246 0.000 1.074 142 L CA 0.862 55.868 54.840 0.277 0.000 0.749 142 L CB -0.485 41.754 42.059 0.300 0.000 0.907 142 L HN 0.177 nan 8.230 nan 0.000 0.439 143 N N -0.030 118.828 118.700 0.262 0.000 2.061 143 N HA -0.250 4.490 4.740 0.001 0.000 0.193 143 N C 1.893 177.645 175.510 0.404 0.000 1.030 143 N CA 1.209 54.454 53.050 0.325 0.000 0.856 143 N CB -0.180 38.471 38.487 0.273 0.000 1.023 143 N HN 0.335 nan 8.380 nan 0.000 0.424 144 A N 1.105 124.118 122.820 0.320 0.000 1.869 144 A HA -0.198 4.122 4.320 0.001 0.000 0.218 144 A C 2.463 180.243 177.584 0.326 0.000 1.203 144 A CA 1.874 54.112 52.037 0.334 0.000 0.638 144 A CB -1.161 18.000 19.000 0.269 0.000 0.831 144 A HN 0.137 nan 8.150 nan 0.000 0.450 145 V N -0.012 119.962 119.914 0.101 0.000 2.252 145 V HA -0.398 3.723 4.120 0.001 0.000 0.249 145 V C 2.690 178.603 176.094 -0.301 0.000 1.056 145 V CA 2.540 64.671 62.300 -0.282 0.000 1.022 145 V CB -0.891 30.422 31.823 -0.850 0.000 0.641 145 V HN 0.594 nan 8.190 nan 0.000 0.445 146 M N -1.005 118.429 119.600 -0.277 0.000 2.108 146 M HA -0.179 4.301 4.480 0.001 0.000 0.261 146 M C 2.230 178.522 176.300 -0.014 0.000 1.066 146 M CA 2.211 57.429 55.300 -0.136 0.000 1.107 146 M CB -0.661 32.063 32.600 0.207 0.000 1.356 146 M HN 0.445 nan 8.290 nan 0.000 0.406 147 F N 0.036 119.878 119.950 -0.180 0.000 2.120 147 F HA -0.283 4.244 4.527 0.000 0.000 0.300 147 F C 2.093 177.634 175.800 -0.433 0.000 1.095 147 F CA 1.787 59.231 58.000 -0.927 0.000 1.249 147 F CB -0.711 38.082 39.000 -0.345 0.000 0.995 147 F HN 0.200 nan 8.300 nan 0.000 0.480 148 W N 0.726 121.768 121.300 -0.430 0.000 2.418 148 W HA -0.063 4.597 4.660 0.000 0.000 0.292 148 W C 1.951 178.317 176.519 -0.256 0.000 1.213 148 W CA 1.606 58.704 57.345 -0.411 0.000 1.283 148 W CB -0.251 29.064 29.460 -0.242 0.000 1.119 148 W HN 0.038 nan 8.180 nan 0.000 0.542 149 L N 0.316 121.554 121.223 0.026 0.000 2.083 149 L HA -0.202 4.139 4.340 0.001 0.000 0.209 149 L C 2.530 179.434 176.870 0.056 0.000 1.083 149 L CA 1.898 56.822 54.840 0.141 0.000 0.752 149 L CB -0.829 41.266 42.059 0.059 0.000 0.899 149 L HN 0.084 nan 8.230 nan 0.000 0.433 150 E N 0.165 120.286 120.200 -0.132 0.000 2.047 150 E HA -0.208 4.142 4.350 0.001 0.000 0.191 150 E C 1.982 178.373 176.600 -0.348 0.000 0.987 150 E CA 0.863 57.167 56.400 -0.160 0.000 0.799 150 E CB 0.259 29.851 29.700 -0.180 0.000 0.752 150 E HN 0.187 nan 8.360 nan 0.000 0.449 151 K N 0.092 120.158 120.400 -0.557 0.000 2.280 151 K HA -0.114 4.207 4.320 0.001 0.000 0.202 151 K C 0.724 176.931 176.600 -0.655 0.000 1.047 151 K CA 1.060 56.988 56.287 -0.599 0.000 0.942 151 K CB -0.266 31.791 32.500 -0.738 0.000 0.739 151 K HN 0.307 nan 8.250 nan 0.000 0.457 152 H N -0.457 118.121 119.070 -0.821 0.000 2.472 152 H HA 0.184 4.740 4.556 0.001 0.000 0.287 152 H C 1.235 176.042 175.328 -0.869 0.000 1.112 152 H CA -0.202 55.377 56.048 -0.782 0.000 1.021 152 H CB 0.547 29.658 29.762 -1.085 0.000 1.635 152 H HN 0.228 nan 8.280 nan 0.000 0.559 153 E N 0.792 120.582 120.200 -0.683 0.000 2.028 153 E HA -0.106 4.244 4.350 0.001 0.000 0.190 153 E C 0.441 176.662 176.600 -0.631 0.000 0.984 153 E CA 0.920 56.825 56.400 -0.825 0.000 0.800 153 E CB 0.211 29.692 29.700 -0.364 0.000 0.758 153 E HN 0.458 nan 8.360 nan 0.000 0.448 154 N N 1.078 119.533 118.700 -0.408 0.000 2.313 154 N HA 0.036 4.777 4.740 0.001 0.000 0.207 154 N C -0.989 174.369 175.510 -0.254 0.000 1.141 154 N CA -0.105 52.775 53.050 -0.282 0.000 0.830 154 N CB 0.386 38.749 38.487 -0.208 0.000 1.008 154 N HN 0.095 nan 8.380 nan 0.000 0.481 155 D N 0.219 120.437 120.400 -0.303 0.000 2.368 155 D HA 0.127 4.767 4.640 0.001 0.000 0.240 155 D C 0.460 176.687 176.300 -0.122 0.000 1.169 155 D CA -0.114 53.761 54.000 -0.208 0.000 0.906 155 D CB 1.017 41.708 40.800 -0.181 0.000 1.187 155 D HN -0.018 nan 8.370 nan 0.000 0.435 156 V N -1.840 118.032 119.914 -0.070 0.000 3.184 156 V HA 0.875 4.995 4.120 0.001 0.000 0.308 156 V C 0.839 176.932 176.094 -0.002 0.000 1.243 156 V CA 0.081 62.358 62.300 -0.038 0.000 1.058 156 V CB 0.880 32.678 31.823 -0.042 0.000 1.183 156 V HN 0.792 nan 8.190 nan 0.000 0.471 157 A N 0.129 122.950 122.820 0.002 0.000 5.123 157 A HA -0.371 3.949 4.320 0.001 0.000 0.337 157 A C 1.654 179.259 177.584 0.035 0.000 1.775 157 A CA 2.614 54.660 52.037 0.014 0.000 0.704 157 A CB -2.422 16.586 19.000 0.013 0.000 1.426 157 A HN 1.645 nan 8.150 nan 0.000 0.391 158 E N -0.538 119.692 120.200 0.050 0.000 2.140 158 E HA 0.041 4.391 4.350 0.001 0.000 0.191 158 E C 1.836 178.507 176.600 0.119 0.000 0.973 158 E CA 1.430 57.876 56.400 0.076 0.000 0.829 158 E CB -0.163 29.583 29.700 0.075 0.000 0.781 158 E HN 0.494 nan 8.360 nan 0.000 0.466 159 K N 0.493 120.970 120.400 0.128 0.000 2.127 159 K HA -0.186 4.134 4.320 0.001 0.000 0.208 159 K C 2.089 178.814 176.600 0.208 0.000 1.047 159 K CA 0.936 57.339 56.287 0.194 0.000 0.927 159 K CB -0.664 31.933 32.500 0.162 0.000 0.716 159 K HN 0.203 nan 8.250 nan 0.000 0.450 160 L N 2.023 123.326 121.223 0.134 0.000 1.976 160 L HA -0.169 4.171 4.340 0.001 0.000 0.209 160 L C 2.004 178.991 176.870 0.195 0.000 1.071 160 L CA 1.860 56.789 54.840 0.149 0.000 0.746 160 L CB -0.416 41.684 42.059 0.069 0.000 0.890 160 L HN 0.072 nan 8.230 nan 0.000 0.432 161 K N -1.324 119.150 120.400 0.124 0.000 2.286 161 K HA -0.150 4.171 4.320 0.001 0.000 0.203 161 K C 1.854 178.511 176.600 0.096 0.000 1.045 161 K CA 1.242 57.581 56.287 0.086 0.000 0.935 161 K CB -0.219 32.316 32.500 0.059 0.000 0.737 161 K HN 0.282 nan 8.250 nan 0.000 0.460 162 V N -0.030 119.982 119.914 0.163 0.000 2.500 162 V HA -0.180 3.940 4.120 0.001 0.000 0.243 162 V C 1.869 178.082 176.094 0.197 0.000 1.039 162 V CA 1.030 63.420 62.300 0.150 0.000 1.053 162 V CB -0.374 31.581 31.823 0.221 0.000 0.695 162 V HN 0.258 nan 8.190 nan 0.000 0.463 163 Y N 1.434 121.856 120.300 0.202 0.000 2.114 163 Y HA -0.235 4.316 4.550 0.001 0.000 0.284 163 Y C 2.493 178.486 175.900 0.155 0.000 1.143 163 Y CA 2.285 60.535 58.100 0.251 0.000 1.135 163 Y CB -0.240 38.284 38.460 0.107 0.000 0.980 163 Y HN 0.105 nan 8.280 nan 0.000 0.499 164 K N 0.219 120.689 120.400 0.117 0.000 1.971 164 K HA -0.251 4.070 4.320 0.001 0.000 0.221 164 K C 2.240 178.771 176.600 -0.115 0.000 1.050 164 K CA 2.253 58.523 56.287 -0.029 0.000 0.967 164 K CB -0.297 32.243 32.500 0.066 0.000 0.733 164 K HN 0.245 nan 8.250 nan 0.000 0.445 165 R N 0.006 120.440 120.500 -0.110 0.000 2.196 165 R HA -0.283 4.057 4.340 0.001 0.000 0.259 165 R C 2.530 178.889 176.300 0.098 0.000 1.154 165 R CA 2.184 58.210 56.100 -0.122 0.000 0.976 165 R CB -0.406 29.847 30.300 -0.078 0.000 0.888 165 R HN 0.260 nan 8.270 nan 0.000 0.453 166 R N 0.490 120.958 120.500 -0.053 0.000 2.057 166 R HA -0.100 4.241 4.340 0.001 0.000 0.229 166 R C 2.385 178.621 176.300 -0.107 0.000 1.136 166 R CA 1.107 57.132 56.100 -0.124 0.000 0.952 166 R CB -0.331 29.827 30.300 -0.237 0.000 0.848 166 R HN 0.138 nan 8.270 nan 0.000 0.430 167 L N 1.515 122.591 121.223 -0.244 0.000 2.043 167 L HA -0.238 4.103 4.340 0.001 0.000 0.212 167 L C 1.699 178.592 176.870 0.039 0.000 1.075 167 L CA 2.374 57.109 54.840 -0.176 0.000 0.752 167 L CB -0.804 41.008 42.059 -0.411 0.000 0.891 167 L HN 0.244 nan 8.230 nan 0.000 0.432 168 D N -0.499 119.926 120.400 0.042 0.000 2.095 168 D HA -0.243 4.397 4.640 0.001 0.000 0.192 168 D C 2.169 178.537 176.300 0.112 0.000 0.990 168 D CA 2.430 56.500 54.000 0.116 0.000 0.836 168 D CB -0.418 40.508 40.800 0.209 0.000 0.979 168 D HN 0.435 nan 8.370 nan 0.000 0.447 169 L N -0.593 120.696 121.223 0.110 0.000 2.021 169 L HA -0.208 4.132 4.340 0.001 0.000 0.215 169 L C 2.584 179.483 176.870 0.048 0.000 1.074 169 L CA 1.417 56.268 54.840 0.018 0.000 0.760 169 L CB -0.779 41.247 42.059 -0.055 0.000 0.889 169 L HN 0.116 nan 8.230 nan 0.000 0.433 170 F N 1.091 120.981 119.950 -0.101 0.000 2.120 170 F HA -0.275 4.252 4.527 0.001 0.000 0.300 170 F C 2.513 178.297 175.800 -0.026 0.000 1.095 170 F CA 2.054 59.989 58.000 -0.109 0.000 1.249 170 F CB -0.770 38.133 39.000 -0.161 0.000 0.995 170 F HN -0.009 nan 8.300 nan 0.000 0.480 171 T N 1.784 116.327 114.554 -0.019 0.000 2.597 171 T HA -0.274 4.076 4.350 0.001 0.000 0.267 171 T C 2.152 176.782 174.700 -0.118 0.000 1.053 171 T CA 2.434 64.492 62.100 -0.070 0.000 1.165 171 T CB -0.635 68.257 68.868 0.041 0.000 0.863 171 T HN 0.322 nan 8.240 nan 0.000 0.427 172 I N 0.715 121.253 120.570 -0.052 0.000 2.143 172 I HA -0.256 3.914 4.170 0.001 0.000 0.245 172 I C 2.448 178.561 176.117 -0.007 0.000 1.068 172 I CA 1.373 62.661 61.300 -0.020 0.000 1.326 172 I CB -0.848 37.161 38.000 0.015 0.000 1.028 172 I HN 0.137 nan 8.210 nan 0.000 0.412 173 V N 0.970 120.828 119.914 -0.093 0.000 2.223 173 V HA -0.299 3.822 4.120 0.001 0.000 0.244 173 V C 2.791 178.788 176.094 -0.161 0.000 1.045 173 V CA 2.080 64.326 62.300 -0.090 0.000 1.000 173 V CB -1.170 30.513 31.823 -0.234 0.000 0.635 173 V HN 0.530 nan 8.190 nan 0.000 0.445 174 A N -0.024 122.494 122.820 -0.504 0.000 1.896 174 A HA -0.316 4.005 4.320 0.001 0.000 0.220 174 A C 2.461 179.970 177.584 -0.126 0.000 1.206 174 A CA 2.942 54.733 52.037 -0.410 0.000 0.647 174 A CB -1.078 17.576 19.000 -0.578 0.000 0.828 174 A HN 0.539 nan 8.150 nan 0.000 0.455 175 S N -0.786 114.857 115.700 -0.096 0.000 2.351 175 S HA -0.153 4.318 4.470 0.001 0.000 0.220 175 S C 2.084 176.679 174.600 -0.009 0.000 1.035 175 S CA 1.856 60.033 58.200 -0.038 0.000 1.031 175 S CB -0.854 62.324 63.200 -0.036 0.000 0.928 175 S HN 0.711 nan 8.310 nan 0.000 0.433 176 T N 2.799 117.353 114.554 0.001 0.000 2.699 176 T HA -0.076 4.275 4.350 0.001 0.000 0.268 176 T C 1.691 176.499 174.700 0.179 0.000 1.036 176 T CA 1.084 63.209 62.100 0.042 0.000 1.147 176 T CB -0.351 68.464 68.868 -0.089 0.000 0.862 176 T HN 0.190 nan 8.240 nan 0.000 0.446 177 I N 2.038 122.704 120.570 0.160 0.000 2.252 177 I HA -0.116 4.054 4.170 0.001 0.000 0.245 177 I C 2.475 178.695 176.117 0.172 0.000 1.102 177 I CA 1.019 62.439 61.300 0.200 0.000 1.385 177 I CB -1.190 36.897 38.000 0.146 0.000 1.064 177 I HN 0.387 nan 8.210 nan 0.000 0.414 178 N N 1.850 120.603 118.700 0.089 0.000 2.289 178 N HA -0.250 4.491 4.740 0.001 0.000 0.184 178 N C 1.858 177.370 175.510 0.004 0.000 1.016 178 N CA 1.149 54.230 53.050 0.051 0.000 0.872 178 N CB 0.015 38.516 38.487 0.023 0.000 0.973 178 N HN 0.385 nan 8.380 nan 0.000 0.433 179 K N -0.365 120.002 120.400 -0.055 0.000 2.152 179 K HA -0.165 4.155 4.320 0.001 0.000 0.206 179 K C 0.540 176.894 176.600 -0.410 0.000 1.048 179 K CA 1.376 57.485 56.287 -0.296 0.000 0.933 179 K CB -0.054 32.143 32.500 -0.505 0.000 0.721 179 K HN 0.334 nan 8.250 nan 0.000 0.447 180 Y N -0.369 119.949 120.300 0.029 0.000 2.557 180 Y HA 0.309 4.859 4.550 -0.000 0.000 0.247 180 Y C 0.709 176.628 175.900 0.032 0.000 1.164 180 Y CA -0.213 57.903 58.100 0.028 0.000 1.218 180 Y CB 1.125 39.605 38.460 0.034 0.000 1.210 180 Y HN 0.240 nan 8.280 nan 0.000 0.529 181 G N 0.499 109.392 108.800 0.156 0.000 2.796 181 G HA2 -0.168 3.792 3.960 0.001 0.000 0.571 181 G HA3 -0.168 3.792 3.960 0.001 0.000 0.571 181 G C -1.146 173.840 174.900 0.144 0.000 1.370 181 G CA -0.752 44.421 45.100 0.121 0.000 0.856 181 G HN 0.015 nan 8.290 nan 0.000 0.538 182 V N 2.187 122.178 119.914 0.129 0.000 2.370 182 V HA 0.472 4.592 4.120 0.001 0.000 0.279 182 V C -1.665 174.520 176.094 0.152 0.000 1.029 182 V CA -1.025 61.362 62.300 0.146 0.000 0.870 182 V CB 1.706 33.623 31.823 0.156 0.000 0.984 182 V HN 0.643 nan 8.190 nan 0.000 0.451 183 P HA 0.162 nan 4.420 nan 0.000 0.264 183 P C -0.231 177.274 177.300 0.341 0.000 1.236 183 P CA 0.008 63.222 63.100 0.190 0.000 0.811 183 P CB 0.185 31.923 31.700 0.063 0.000 0.840 184 R N 3.179 123.827 120.500 0.247 0.000 2.490 184 R HA 0.266 4.606 4.340 0.001 0.000 0.278 184 R C 0.416 176.819 176.300 0.171 0.000 1.069 184 R CA -0.380 55.826 56.100 0.176 0.000 1.080 184 R CB 0.358 30.672 30.300 0.024 0.000 1.030 184 R HN 0.606 nan 8.270 nan 0.000 0.491 185 H N -0.095 118.988 119.070 0.021 0.000 2.651 185 H HA 0.351 4.907 4.556 0.000 0.000 0.353 185 H C -0.674 174.527 175.328 -0.213 0.000 1.178 185 H CA -1.108 54.786 56.048 -0.258 0.000 1.224 185 H CB 0.788 30.272 29.762 -0.464 0.000 1.702 185 H HN 0.723 nan 8.280 nan 0.000 0.550 186 N N -0.027 118.558 118.700 -0.190 0.000 2.447 186 N HA 0.325 5.066 4.740 0.001 0.000 0.271 186 N C 0.845 176.227 175.510 -0.215 0.000 1.226 186 N CA -0.560 52.380 53.050 -0.183 0.000 0.980 186 N CB 1.349 39.776 38.487 -0.100 0.000 1.206 186 N HN 0.688 nan 8.380 nan 0.000 0.558 187 A N 0.055 122.760 122.820 -0.192 0.000 2.139 187 A HA -0.185 4.135 4.320 0.001 0.000 0.221 187 A C 1.521 178.989 177.584 -0.193 0.000 1.159 187 A CA 1.222 53.133 52.037 -0.211 0.000 0.662 187 A CB -0.522 18.408 19.000 -0.116 0.000 0.796 187 A HN 0.728 nan 8.150 nan 0.000 0.463 188 K N -1.839 118.495 120.400 -0.109 0.000 2.410 188 K HA 0.215 4.535 4.320 0.001 0.000 0.200 188 K C -0.885 175.768 176.600 0.089 0.000 1.023 188 K CA -0.370 55.922 56.287 0.008 0.000 1.149 188 K CB 0.068 32.574 32.500 0.009 0.000 0.859 188 K HN 0.426 nan 8.250 nan 0.000 0.514 189 Y N 0.669 120.958 120.300 -0.018 0.000 3.168 189 Y HA -0.336 4.214 4.550 0.000 0.000 0.207 189 Y C -0.170 175.595 175.900 -0.226 0.000 1.280 189 Y CA 0.441 58.476 58.100 -0.108 0.000 1.235 189 Y CB -1.718 36.670 38.460 -0.120 0.000 1.370 189 Y HN 0.131 nan 8.280 nan 0.000 0.537 190 R N -0.564 119.838 120.500 -0.163 0.000 2.803 190 R HA 0.583 4.923 4.340 0.001 0.000 0.276 190 R C -1.183 174.923 176.300 -0.323 0.000 0.978 190 R CA -1.169 54.827 56.100 -0.173 0.000 0.939 190 R CB 1.437 31.727 30.300 -0.017 0.000 1.179 190 R HN 0.049 nan 8.270 nan 0.000 0.472 191 Y N 0.954 121.355 120.300 0.169 0.000 2.353 191 Y HA 0.230 4.780 4.550 0.001 0.000 0.340 191 Y C 0.594 176.639 175.900 0.242 0.000 0.972 191 Y CA -0.493 57.714 58.100 0.178 0.000 1.157 191 Y CB 0.984 39.540 38.460 0.159 0.000 1.157 191 Y HN 0.411 nan 8.280 nan 0.000 0.495 192 E N 0.752 121.116 120.200 0.273 0.000 2.602 192 E HA 0.031 4.382 4.350 0.001 0.000 0.255 192 E C 0.213 176.863 176.600 0.085 0.000 1.268 192 E CA -0.485 56.092 56.400 0.295 0.000 1.007 192 E CB 0.616 30.420 29.700 0.174 0.000 1.208 192 E HN 0.686 nan 8.360 nan 0.000 0.584 193 Y N 2.130 122.305 120.300 -0.209 0.000 2.114 193 Y HA -0.247 4.303 4.550 -0.000 0.000 0.284 193 Y C 1.900 177.640 175.900 -0.267 0.000 1.143 193 Y CA 2.338 60.080 58.100 -0.596 0.000 1.135 193 Y CB -0.294 37.953 38.460 -0.354 0.000 0.980 193 Y HN 0.635 nan 8.280 nan 0.000 0.499 194 D N -0.342 119.957 120.400 -0.170 0.000 2.133 194 D HA -0.198 4.442 4.640 0.001 0.000 0.195 194 D C 1.921 178.105 176.300 -0.194 0.000 0.997 194 D CA 2.342 56.227 54.000 -0.191 0.000 0.840 194 D CB -1.245 39.527 40.800 -0.047 0.000 0.947 194 D HN 0.417 nan 8.370 nan 0.000 0.452 195 V N -2.320 117.528 119.914 -0.110 0.000 2.535 195 V HA -0.044 4.077 4.120 0.001 0.000 0.246 195 V C 2.522 178.573 176.094 -0.071 0.000 1.045 195 V CA 0.606 62.880 62.300 -0.043 0.000 1.058 195 V CB -0.428 31.433 31.823 0.063 0.000 0.689 195 V HN -0.042 nan 8.190 nan 0.000 0.461 196 M N 0.623 120.145 119.600 -0.130 0.000 2.288 196 M HA 0.045 4.525 4.480 0.001 0.000 0.266 196 M C 2.141 178.329 176.300 -0.186 0.000 1.072 196 M CA 1.571 56.805 55.300 -0.111 0.000 1.132 196 M CB -1.138 31.443 32.600 -0.031 0.000 1.386 196 M HN 0.502 nan 8.290 nan 0.000 0.432 197 K N 1.292 121.426 120.400 -0.443 0.000 2.071 197 K HA -0.249 4.071 4.320 0.001 0.000 0.217 197 K C 1.372 177.866 176.600 -0.177 0.000 1.054 197 K CA 2.376 58.393 56.287 -0.450 0.000 0.937 197 K CB -0.246 31.732 32.500 -0.871 0.000 0.719 197 K HN 0.491 nan 8.250 nan 0.000 0.454 198 D N -0.078 120.243 120.400 -0.132 0.000 2.277 198 D HA -0.088 4.552 4.640 0.001 0.000 0.208 198 D C -0.049 176.266 176.300 0.025 0.000 0.962 198 D CA 0.717 54.702 54.000 -0.024 0.000 0.865 198 D CB 0.065 40.869 40.800 0.006 0.000 0.939 198 D HN 0.227 nan 8.370 nan 0.000 0.510 199 K N 1.055 121.430 120.400 -0.041 0.000 2.087 199 K HA 0.413 4.733 4.320 0.001 0.000 0.255 199 K C -2.635 173.826 176.600 -0.232 0.000 0.988 199 K CA -2.105 54.076 56.287 -0.176 0.000 0.915 199 K CB 0.967 33.399 32.500 -0.113 0.000 1.043 199 K HN -0.147 nan 8.250 nan 0.000 0.457 200 P HA -0.119 nan 4.420 nan 0.000 0.265 200 P C -0.231 177.019 177.300 -0.084 0.000 1.193 200 P CA 0.236 63.180 63.100 -0.261 0.000 0.765 200 P CB 0.203 31.664 31.700 -0.399 0.000 0.823 201 Y N 3.780 124.002 120.300 -0.131 0.000 2.193 201 Y HA -0.242 4.309 4.550 0.001 0.000 0.285 201 Y C 1.001 176.772 175.900 -0.215 0.000 1.166 201 Y CA 1.884 59.898 58.100 -0.145 0.000 1.181 201 Y CB -0.573 37.758 38.460 -0.215 0.000 0.976 201 Y HN 0.382 nan 8.280 nan 0.000 0.520 202 Y N -0.973 119.258 120.300 -0.116 0.000 2.493 202 Y HA 0.104 4.654 4.550 -0.000 0.000 0.275 202 Y C 1.665 177.528 175.900 -0.061 0.000 1.183 202 Y CA -0.218 57.785 58.100 -0.162 0.000 1.258 202 Y CB -0.262 38.140 38.460 -0.096 0.000 1.108 202 Y HN 0.164 nan 8.280 nan 0.000 0.521 203 L N -0.547 120.689 121.223 0.022 0.000 1.971 203 L HA -0.235 4.105 4.340 0.001 0.000 0.215 203 L C 2.036 179.041 176.870 0.225 0.000 1.072 203 L CA 1.826 56.742 54.840 0.126 0.000 0.758 203 L CB -0.836 41.221 42.059 -0.004 0.000 0.889 203 L HN 0.072 nan 8.230 nan 0.000 0.433 204 V N -0.942 118.969 119.914 -0.006 0.000 2.214 204 V HA -0.379 3.741 4.120 0.001 0.000 0.247 204 V C 2.583 178.699 176.094 0.037 0.000 1.051 204 V CA 2.562 64.794 62.300 -0.112 0.000 1.003 204 V CB -1.394 30.100 31.823 -0.548 0.000 0.635 204 V HN 0.729 nan 8.190 nan 0.000 0.447 205 T N -1.601 112.989 114.554 0.060 0.000 2.778 205 T HA -0.308 4.042 4.350 0.001 0.000 0.269 205 T C 1.466 176.285 174.700 0.199 0.000 1.050 205 T CA 2.422 64.606 62.100 0.139 0.000 1.137 205 T CB -0.375 68.599 68.868 0.177 0.000 0.860 205 T HN 0.703 nan 8.240 nan 0.000 0.468 206 W N 1.178 122.525 121.300 0.077 0.000 2.443 206 W HA 0.232 4.893 4.660 0.002 0.000 0.296 206 W C 2.359 178.930 176.519 0.086 0.000 1.202 206 W CA 0.936 58.337 57.345 0.095 0.000 1.312 206 W CB -0.615 28.942 29.460 0.162 0.000 1.120 206 W HN 0.277 nan 8.180 nan 0.000 0.536 207 A N 1.405 124.324 122.820 0.165 0.000 1.851 207 A HA -0.299 4.022 4.320 0.001 0.000 0.216 207 A C 1.909 179.377 177.584 -0.193 0.000 1.195 207 A CA 2.260 54.213 52.037 -0.140 0.000 0.622 207 A CB -1.302 17.770 19.000 0.120 0.000 0.831 207 A HN 0.432 nan 8.150 nan 0.000 0.444 208 N N 0.415 119.093 118.700 -0.038 0.000 2.037 208 N HA -0.143 4.598 4.740 0.001 0.000 0.196 208 N C 1.989 177.459 175.510 -0.066 0.000 1.034 208 N CA 1.860 54.905 53.050 -0.009 0.000 0.861 208 N CB -0.750 37.770 38.487 0.055 0.000 1.039 208 N HN 0.462 nan 8.380 nan 0.000 0.427 209 S N 0.247 115.893 115.700 -0.091 0.000 2.383 209 S HA -0.061 4.409 4.470 0.001 0.000 0.229 209 S C 2.153 176.639 174.600 -0.189 0.000 1.030 209 S CA 1.101 59.236 58.200 -0.109 0.000 1.002 209 S CB -0.237 62.911 63.200 -0.087 0.000 0.829 209 S HN 0.324 nan 8.310 nan 0.000 0.467 210 S N 1.147 116.611 115.700 -0.392 0.000 2.387 210 S HA 0.123 4.593 4.470 0.001 0.000 0.226 210 S C 1.758 176.189 174.600 -0.281 0.000 1.026 210 S CA 0.627 58.565 58.200 -0.437 0.000 0.972 210 S CB -0.263 62.409 63.200 -0.879 0.000 0.814 210 S HN 0.402 nan 8.310 nan 0.000 0.477 211 I N 1.637 122.063 120.570 -0.240 0.000 2.163 211 I HA -0.187 3.984 4.170 0.001 0.000 0.240 211 I C 2.767 178.688 176.117 -0.326 0.000 1.081 211 I CA 1.455 62.622 61.300 -0.223 0.000 1.353 211 I CB -0.507 37.424 38.000 -0.116 0.000 1.054 211 I HN 0.416 nan 8.210 nan 0.000 0.407 212 E N 1.238 121.315 120.200 -0.206 0.000 2.171 212 E HA -0.269 4.082 4.350 0.001 0.000 0.197 212 E C 2.256 178.760 176.600 -0.159 0.000 0.997 212 E CA 1.419 57.723 56.400 -0.161 0.000 0.810 212 E CB -0.052 29.663 29.700 0.025 0.000 0.738 212 E HN 0.462 nan 8.360 nan 0.000 0.467 213 M N 0.289 119.822 119.600 -0.111 0.000 2.236 213 M HA -0.049 4.432 4.480 0.001 0.000 0.266 213 M C 2.420 178.722 176.300 0.002 0.000 1.070 213 M CA 0.808 56.107 55.300 -0.002 0.000 1.137 213 M CB -0.106 32.577 32.600 0.139 0.000 1.378 213 M HN 0.259 nan 8.290 nan 0.000 0.426 214 L N -1.943 119.188 121.223 -0.153 0.000 2.217 214 L HA 0.014 4.355 4.340 0.001 0.000 0.211 214 L C 1.868 178.487 176.870 -0.419 0.000 1.107 214 L CA 1.296 56.005 54.840 -0.219 0.000 0.783 214 L CB -0.715 41.218 42.059 -0.210 0.000 0.919 214 L HN 0.159 nan 8.230 nan 0.000 0.442 215 M N -0.303 118.951 119.600 -0.576 0.000 2.628 215 M HA 0.127 4.607 4.480 0.001 0.000 0.232 215 M C 0.975 176.864 176.300 -0.685 0.000 1.128 215 M CA 0.520 55.325 55.300 -0.826 0.000 1.040 215 M CB -0.772 31.098 32.600 -1.216 0.000 1.608 215 M HN 0.359 nan 8.290 nan 0.000 0.507 216 S N -0.306 115.090 115.700 -0.506 0.000 2.664 216 S HA 0.254 4.724 4.470 0.001 0.000 0.245 216 S C 0.234 174.706 174.600 -0.213 0.000 1.019 216 S CA -0.331 57.570 58.200 -0.498 0.000 0.996 216 S CB 0.795 63.422 63.200 -0.955 0.000 0.878 216 S HN 0.065 nan 8.310 nan 0.000 0.493 217 V N 2.081 121.789 119.914 -0.344 0.000 2.398 217 V HA 0.521 4.641 4.120 0.001 0.000 0.286 217 V C -0.219 175.577 176.094 -0.497 0.000 1.026 217 V CA -0.211 61.965 62.300 -0.206 0.000 0.868 217 V CB 1.256 32.978 31.823 -0.168 0.000 0.982 217 V HN 0.391 nan 8.190 nan 0.000 0.443 218 F N 1.025 120.951 119.950 -0.040 0.000 2.017 218 F HA 0.170 4.697 4.527 0.001 0.000 0.245 218 F C 1.686 177.494 175.800 0.012 0.000 1.060 218 F CA 0.583 58.572 58.000 -0.018 0.000 1.231 218 F CB -0.162 38.828 39.000 -0.016 0.000 1.527 218 F HN 0.510 nan 8.300 nan 0.000 0.636 219 S N -0.230 115.607 115.700 0.230 0.000 2.608 219 S HA 0.036 4.506 4.470 0.001 0.000 0.261 219 S C 0.893 175.558 174.600 0.107 0.000 1.314 219 S CA 0.025 58.312 58.200 0.145 0.000 0.992 219 S CB 0.756 64.023 63.200 0.112 0.000 0.935 219 S HN 0.432 nan 8.310 nan 0.000 0.564 220 H N 0.847 119.936 119.070 0.031 0.000 2.319 220 H HA -0.100 4.456 4.556 0.001 0.000 0.299 220 H C 1.430 176.782 175.328 0.041 0.000 1.092 220 H CA 2.622 58.686 56.048 0.026 0.000 1.302 220 H CB -0.486 29.276 29.762 0.000 0.000 1.373 220 H HN 0.759 nan 8.280 nan 0.000 0.497 221 D N 0.230 120.624 120.400 -0.009 0.000 2.158 221 D HA -0.156 4.484 4.640 0.001 0.000 0.197 221 D C 1.501 177.649 176.300 -0.254 0.000 0.995 221 D CA 1.343 55.273 54.000 -0.117 0.000 0.846 221 D CB -0.145 40.623 40.800 -0.054 0.000 0.941 221 D HN 0.522 nan 8.370 nan 0.000 0.456 222 D N 0.324 120.596 120.400 -0.213 0.000 2.106 222 D HA -0.190 4.450 4.640 0.001 0.000 0.194 222 D C 1.941 177.975 176.300 -0.444 0.000 0.988 222 D CA 0.772 54.531 54.000 -0.401 0.000 0.845 222 D CB -0.999 39.712 40.800 -0.149 0.000 0.990 222 D HN 0.266 nan 8.370 nan 0.000 0.448 223 Y N 1.610 121.696 120.300 -0.356 0.000 2.096 223 Y HA -0.310 4.241 4.550 0.001 0.000 0.276 223 Y C 2.275 177.964 175.900 -0.352 0.000 1.209 223 Y CA 1.671 59.579 58.100 -0.319 0.000 1.137 223 Y CB -0.494 37.809 38.460 -0.262 0.000 0.956 223 Y HN -0.013 nan 8.280 nan 0.000 0.506 224 L N -0.274 120.748 121.223 -0.334 0.000 2.012 224 L HA -0.270 4.070 4.340 0.001 0.000 0.210 224 L C 2.508 179.137 176.870 -0.403 0.000 1.073 224 L CA 1.988 56.611 54.840 -0.363 0.000 0.748 224 L CB -0.690 41.212 42.059 -0.260 0.000 0.891 224 L HN 0.388 nan 8.230 nan 0.000 0.431 225 I N -0.517 119.779 120.570 -0.457 0.000 2.252 225 I HA -0.238 3.933 4.170 0.001 0.000 0.245 225 I C 2.770 178.628 176.117 -0.432 0.000 1.102 225 I CA 0.904 61.921 61.300 -0.472 0.000 1.385 225 I CB -0.531 37.043 38.000 -0.710 0.000 1.064 225 I HN 0.193 nan 8.210 nan 0.000 0.414 226 A N 1.300 123.792 122.820 -0.547 0.000 1.844 226 A HA -0.287 4.033 4.320 0.001 0.000 0.214 226 A C 2.351 179.781 177.584 -0.255 0.000 1.217 226 A CA 2.015 53.884 52.037 -0.280 0.000 0.644 226 A CB -0.914 17.933 19.000 -0.256 0.000 0.850 226 A HN 0.255 nan 8.150 nan 0.000 0.456 227 K N -0.226 119.923 120.400 -0.418 0.000 2.128 227 K HA -0.338 3.983 4.320 0.001 0.000 0.220 227 K C 2.006 178.487 176.600 -0.199 0.000 1.049 227 K CA 2.687 58.749 56.287 -0.374 0.000 0.948 227 K CB -0.435 31.674 32.500 -0.652 0.000 0.742 227 K HN 0.691 nan 8.250 nan 0.000 0.465 228 E N -0.243 119.839 120.200 -0.197 0.000 2.031 228 E HA -0.189 4.161 4.350 0.001 0.000 0.193 228 E C 2.234 178.813 176.600 -0.035 0.000 0.994 228 E CA 1.201 57.540 56.400 -0.101 0.000 0.800 228 E CB -0.104 29.532 29.700 -0.108 0.000 0.752 228 E HN 0.184 nan 8.360 nan 0.000 0.447 229 L N 0.996 122.202 121.223 -0.029 0.000 2.046 229 L HA -0.166 4.174 4.340 0.001 0.000 0.208 229 L C 2.243 179.164 176.870 0.085 0.000 1.077 229 L CA 1.504 56.369 54.840 0.042 0.000 0.747 229 L CB -0.521 41.591 42.059 0.089 0.000 0.896 229 L HN 0.337 nan 8.230 nan 0.000 0.432 230 I N -2.026 118.575 120.570 0.051 0.000 2.361 230 I HA -0.281 3.890 4.170 0.001 0.000 0.251 230 I C 2.280 178.582 176.117 0.308 0.000 1.133 230 I CA 0.793 62.152 61.300 0.099 0.000 1.413 230 I CB -0.343 37.637 38.000 -0.034 0.000 1.073 230 I HN 0.070 nan 8.210 nan 0.000 0.424 231 V N 0.541 120.559 119.914 0.173 0.000 2.273 231 V HA -0.205 3.916 4.120 0.001 0.000 0.242 231 V C 2.309 178.515 176.094 0.187 0.000 1.035 231 V CA 1.294 63.698 62.300 0.174 0.000 1.013 231 V CB -0.326 31.536 31.823 0.065 0.000 0.652 231 V HN 0.216 nan 8.190 nan 0.000 0.452 232 L N 1.192 122.486 121.223 0.119 0.000 2.079 232 L HA -0.149 4.191 4.340 0.001 0.000 0.210 232 L C 2.584 179.525 176.870 0.119 0.000 1.081 232 L CA 2.291 57.184 54.840 0.088 0.000 0.752 232 L CB -1.113 40.973 42.059 0.045 0.000 0.896 232 L HN 0.541 nan 8.230 nan 0.000 0.433 233 S N -2.170 113.651 115.700 0.201 0.000 2.595 233 S HA -0.199 4.271 4.470 0.001 0.000 0.235 233 S C 1.813 176.611 174.600 0.329 0.000 0.974 233 S CA 0.411 58.759 58.200 0.247 0.000 0.942 233 S CB -0.752 62.620 63.200 0.287 0.000 0.766 233 S HN 0.489 nan 8.310 nan 0.000 0.536 234 Y N 1.374 121.690 120.300 0.027 0.000 2.510 234 Y HA 0.341 4.891 4.550 0.000 0.000 0.273 234 Y C 2.089 177.808 175.900 -0.302 0.000 1.119 234 Y CA 0.348 58.170 58.100 -0.462 0.000 1.286 234 Y CB 0.221 38.325 38.460 -0.592 0.000 1.061 234 Y HN 0.367 nan 8.280 nan 0.000 0.542 235 S N -1.013 114.598 115.700 -0.148 0.000 2.891 235 S HA 0.066 4.536 4.470 0.001 0.000 0.247 235 S C 0.302 174.806 174.600 -0.160 0.000 1.063 235 S CA -0.314 57.776 58.200 -0.183 0.000 0.857 235 S CB -0.149 62.999 63.200 -0.086 0.000 0.800 235 S HN 0.260 nan 8.310 nan 0.000 0.540 236 N N 2.176 120.818 118.700 -0.095 0.000 2.458 236 N HA 0.151 4.892 4.740 0.001 0.000 0.270 236 N C -0.304 175.128 175.510 -0.130 0.000 1.102 236 N CA 0.260 53.251 53.050 -0.099 0.000 0.967 236 N CB 0.477 38.931 38.487 -0.055 0.000 1.078 236 N HN 0.057 nan 8.380 nan 0.000 0.471 237 R N 1.778 122.168 120.500 -0.184 0.000 2.642 237 R HA 0.171 4.512 4.340 0.001 0.000 0.435 237 R C 0.154 176.355 176.300 -0.164 0.000 1.046 237 R CA -0.034 55.930 56.100 -0.227 0.000 1.103 237 R CB -0.224 29.804 30.300 -0.453 0.000 1.425 237 R HN 0.689 nan 8.270 nan 0.000 0.586 238 S N -2.483 113.142 115.700 -0.125 0.000 2.546 238 S HA -0.021 4.450 4.470 0.001 0.000 0.282 238 S C 1.137 175.687 174.600 -0.082 0.000 1.074 238 S CA 0.288 58.427 58.200 -0.102 0.000 1.254 238 S CB 0.550 63.683 63.200 -0.110 0.000 1.103 238 S HN 0.131 nan 8.310 nan 0.000 0.589 239 T N -0.656 113.853 114.554 -0.074 0.000 3.041 239 T HA 0.372 4.722 4.350 0.001 0.000 0.276 239 T C 1.234 175.905 174.700 -0.049 0.000 0.948 239 T CA 0.063 62.129 62.100 -0.057 0.000 0.885 239 T CB -0.026 68.813 68.868 -0.047 0.000 1.175 239 T HN 0.088 nan 8.240 nan 0.000 0.529 240 L N 3.031 124.224 121.223 -0.050 0.000 1.933 240 L HA 0.106 4.447 4.340 0.001 0.000 0.220 240 L C 2.858 179.710 176.870 -0.029 0.000 1.078 240 L CA 2.605 57.426 54.840 -0.032 0.000 0.773 240 L CB -1.401 40.644 42.059 -0.023 0.000 0.890 240 L HN 0.352 nan 8.230 nan 0.000 0.434 241 A N -0.694 122.097 122.820 -0.048 0.000 1.884 241 A HA -0.335 3.985 4.320 0.001 0.000 0.219 241 A C 2.454 180.022 177.584 -0.027 0.000 1.197 241 A CA 2.561 54.573 52.037 -0.043 0.000 0.637 241 A CB -0.890 18.026 19.000 -0.141 0.000 0.827 241 A HN 0.552 nan 8.150 nan 0.000 0.450 242 K N -0.312 120.061 120.400 -0.046 0.000 2.097 242 K HA -0.081 4.240 4.320 0.001 0.000 0.206 242 K C 1.994 178.585 176.600 -0.016 0.000 1.049 242 K CA 1.488 57.759 56.287 -0.025 0.000 0.933 242 K CB -0.386 32.094 32.500 -0.033 0.000 0.717 242 K HN 0.542 nan 8.250 nan 0.000 0.442 243 L N 0.480 121.691 121.223 -0.019 0.000 2.027 243 L HA -0.173 4.167 4.340 0.001 0.000 0.206 243 L C 2.483 179.349 176.870 -0.007 0.000 1.074 243 L CA 0.820 55.653 54.840 -0.012 0.000 0.745 243 L CB -0.242 41.809 42.059 -0.015 0.000 0.898 243 L HN -0.045 nan 8.230 nan 0.000 0.433 244 V N -0.661 119.249 119.914 -0.006 0.000 2.379 244 V HA -0.203 3.918 4.120 0.001 0.000 0.245 244 V C 2.327 178.417 176.094 -0.006 0.000 1.044 244 V CA 1.944 64.242 62.300 -0.002 0.000 1.036 244 V CB -0.202 31.628 31.823 0.012 0.000 0.664 244 V HN 0.610 nan 8.190 nan 0.000 0.453 245 S N -1.838 113.849 115.700 -0.022 0.000 2.575 245 S HA 0.013 4.483 4.470 0.001 0.000 0.215 245 S C 1.878 176.486 174.600 0.014 0.000 0.966 245 S CA 0.777 58.945 58.200 -0.053 0.000 0.911 245 S CB 0.289 63.323 63.200 -0.278 0.000 0.780 245 S HN 0.377 nan 8.310 nan 0.000 0.514 246 S N 3.039 118.745 115.700 0.011 0.000 2.368 246 S HA 0.070 4.540 4.470 0.001 0.000 0.224 246 S C -0.840 173.774 174.600 0.025 0.000 1.029 246 S CA 0.974 59.187 58.200 0.022 0.000 0.988 246 S CB -1.182 62.022 63.200 0.008 0.000 0.838 246 S HN 0.458 nan 8.310 nan 0.000 0.462 247 P HA -0.085 nan 4.420 nan 0.000 0.216 247 P C 1.525 178.814 177.300 -0.019 0.000 1.150 247 P CA 0.932 64.033 63.100 0.001 0.000 0.837 247 P CB -0.132 31.564 31.700 -0.008 0.000 0.786 248 M N 0.632 120.210 119.600 -0.037 0.000 2.255 248 M HA -0.175 4.305 4.480 0.001 0.000 0.259 248 M C 1.798 178.033 176.300 -0.108 0.000 1.071 248 M CA 2.053 57.267 55.300 -0.145 0.000 1.074 248 M CB -1.329 31.138 32.600 -0.221 0.000 1.384 248 M HN -0.030 nan 8.290 nan 0.000 0.415 249 S N -1.061 114.639 115.700 0.000 0.000 2.447 249 S HA -0.041 4.429 4.470 0.001 0.000 0.233 249 S C 1.835 176.507 174.600 0.119 0.000 1.006 249 S CA 1.212 59.462 58.200 0.082 0.000 0.957 249 S CB -0.777 62.484 63.200 0.102 0.000 0.773 249 S HN 0.668 nan 8.310 nan 0.000 0.507 250 I N 0.550 121.152 120.570 0.053 0.000 2.927 250 I HA 0.110 4.281 4.170 0.001 0.000 0.268 250 I C 2.074 178.233 176.117 0.070 0.000 1.153 250 I CA 0.234 61.564 61.300 0.050 0.000 1.459 250 I CB -0.218 37.780 38.000 -0.004 0.000 1.149 250 I HN 0.219 nan 8.210 nan 0.000 0.443 251 L N 1.111 122.374 121.223 0.065 0.000 2.081 251 L HA -0.212 4.128 4.340 0.001 0.000 0.212 251 L C 2.744 179.740 176.870 0.209 0.000 1.080 251 L CA 1.509 56.434 54.840 0.142 0.000 0.754 251 L CB -0.911 41.086 42.059 -0.104 0.000 0.893 251 L HN 0.285 nan 8.230 nan 0.000 0.433 252 V N -2.729 117.246 119.914 0.101 0.000 2.720 252 V HA -0.078 4.043 4.120 0.001 0.000 0.256 252 V C 2.106 178.214 176.094 0.024 0.000 1.082 252 V CA 1.500 63.816 62.300 0.027 0.000 1.101 252 V CB -0.903 30.890 31.823 -0.050 0.000 0.693 252 V HN 0.321 nan 8.190 nan 0.000 0.479 253 A N -0.498 122.365 122.820 0.072 0.000 2.337 253 A HA 0.526 4.847 4.320 0.001 0.000 0.227 253 A C 1.792 179.406 177.584 0.050 0.000 1.259 253 A CA 0.429 52.499 52.037 0.056 0.000 0.870 253 A CB -0.345 18.711 19.000 0.092 0.000 0.927 253 A HN 0.596 nan 8.150 nan 0.000 0.497 254 L N -0.982 120.314 121.223 0.122 0.000 2.642 254 L HA 0.175 4.515 4.340 0.001 0.000 0.233 254 L C -0.126 176.845 176.870 0.169 0.000 1.077 254 L CA 0.070 54.999 54.840 0.149 0.000 0.879 254 L CB 0.369 42.570 42.059 0.236 0.000 1.151 254 L HN 0.041 nan 8.230 nan 0.000 0.495 255 V N 1.170 121.202 119.914 0.196 0.000 2.432 255 V HA 0.124 4.244 4.120 0.001 0.000 0.271 255 V C -0.059 176.061 176.094 0.043 0.000 1.046 255 V CA -0.632 61.762 62.300 0.157 0.000 0.945 255 V CB 0.870 32.786 31.823 0.156 0.000 0.992 255 V HN 0.067 nan 8.190 nan 0.000 0.471 256 D N 3.569 123.989 120.400 0.033 0.000 2.423 256 D HA 0.214 4.854 4.640 0.001 0.000 0.238 256 D C 0.107 176.365 176.300 -0.071 0.000 1.142 256 D CA 0.286 54.254 54.000 -0.052 0.000 0.884 256 D CB 1.131 41.937 40.800 0.011 0.000 1.199 256 D HN 0.378 nan 8.370 nan 0.000 0.438 257 I N 2.921 123.376 120.570 -0.191 0.000 2.312 257 I HA 0.058 4.228 4.170 0.001 0.000 0.291 257 I C 0.375 176.443 176.117 -0.082 0.000 1.031 257 I CA -0.158 61.066 61.300 -0.126 0.000 1.293 257 I CB 0.369 38.277 38.000 -0.154 0.000 1.403 257 I HN 0.001 nan 8.210 nan 0.000 0.484 258 N N 6.339 125.073 118.700 0.058 0.000 2.851 258 N HA 0.346 5.086 4.740 0.001 0.000 0.248 258 N C -0.261 175.336 175.510 0.145 0.000 1.221 258 N CA -0.121 53.025 53.050 0.159 0.000 0.847 258 N CB 1.745 40.349 38.487 0.195 0.000 1.150 258 N HN 0.888 nan 8.380 nan 0.000 0.507 259 G N 0.584 109.448 108.800 0.107 0.000 3.402 259 G HA2 -0.156 3.804 3.960 0.001 0.000 0.686 259 G HA3 -0.156 3.804 3.960 0.001 0.000 0.686 259 G C -0.511 174.464 174.900 0.125 0.000 0.983 259 G CA -0.288 44.913 45.100 0.168 0.000 0.821 259 G HN 0.471 nan 8.290 nan 0.000 0.500 260 T N 0.859 115.362 114.554 -0.085 0.000 2.696 260 T HA 0.830 5.180 4.350 0.001 0.000 0.291 260 T C -1.191 173.366 174.700 -0.237 0.000 1.095 260 T CA -0.623 61.447 62.100 -0.049 0.000 1.026 260 T CB 1.170 69.995 68.868 -0.072 0.000 1.390 260 T HN 0.791 nan 8.240 nan 0.000 0.513 261 F N 1.730 121.648 119.950 -0.053 0.000 2.495 261 F HA 0.697 5.224 4.527 0.000 0.000 0.327 261 F C 0.416 175.958 175.800 -0.430 0.000 1.103 261 F CA -0.938 56.956 58.000 -0.176 0.000 0.949 261 F CB 1.534 40.444 39.000 -0.149 0.000 1.142 261 F HN 0.552 nan 8.300 nan 0.000 0.457 262 I N -1.508 118.979 120.570 -0.137 0.000 3.264 262 I HA 0.700 4.870 4.170 0.001 0.000 0.309 262 I C -0.869 175.126 176.117 -0.203 0.000 1.099 262 I CA -0.733 60.416 61.300 -0.252 0.000 0.989 262 I CB 2.192 40.046 38.000 -0.244 0.000 1.250 262 I HN 0.285 nan 8.210 nan 0.000 0.478 263 T N 2.599 117.018 114.554 -0.224 0.000 2.771 263 T HA 0.396 4.746 4.350 0.001 0.000 0.281 263 T C -0.408 174.210 174.700 -0.136 0.000 0.982 263 T CA -0.499 61.503 62.100 -0.163 0.000 0.978 263 T CB 0.706 69.480 68.868 -0.158 0.000 0.930 263 T HN 0.792 nan 8.240 nan 0.000 0.447 264 N N 1.498 120.152 118.700 -0.078 0.000 2.502 264 N HA 0.230 4.971 4.740 0.001 0.000 0.280 264 N C 1.269 176.763 175.510 -0.027 0.000 1.223 264 N CA -0.954 52.065 53.050 -0.053 0.000 0.966 264 N CB 0.470 38.942 38.487 -0.025 0.000 1.203 264 N HN 0.662 nan 8.380 nan 0.000 0.565 265 E N -0.750 119.443 120.200 -0.011 0.000 2.147 265 E HA -0.290 4.061 4.350 0.001 0.000 0.199 265 E C 0.095 176.708 176.600 0.022 0.000 1.005 265 E CA 1.345 57.751 56.400 0.009 0.000 0.810 265 E CB -0.376 29.332 29.700 0.014 0.000 0.736 265 E HN 0.586 nan 8.360 nan 0.000 0.460 266 E N 0.905 121.117 120.200 0.021 0.000 2.485 266 E HA 0.084 4.434 4.350 0.001 0.000 0.194 266 E C 0.439 177.066 176.600 0.044 0.000 1.098 266 E CA 0.004 56.423 56.400 0.031 0.000 0.878 266 E CB -0.233 29.485 29.700 0.031 0.000 0.939 266 E HN 0.374 nan 8.360 nan 0.000 0.503 267 L N 1.349 122.595 121.223 0.038 0.000 3.795 267 L HA -0.288 4.053 4.340 0.001 0.000 0.489 267 L C 0.026 176.924 176.870 0.047 0.000 1.259 267 L CA 0.835 55.705 54.840 0.051 0.000 0.765 267 L CB -1.788 40.334 42.059 0.105 0.000 1.519 267 L HN 0.281 nan 8.230 nan 0.000 0.842 268 E N -0.911 119.293 120.200 0.006 0.000 2.390 268 E HA 0.674 5.025 4.350 0.001 0.000 0.277 268 E C -0.515 176.041 176.600 -0.074 0.000 0.939 268 E CA -1.251 55.136 56.400 -0.021 0.000 0.769 268 E CB 1.528 31.235 29.700 0.010 0.000 1.251 268 E HN 0.153 nan 8.360 nan 0.000 0.450 269 L N 1.627 122.757 121.223 -0.155 0.000 2.499 269 L HA 0.174 4.515 4.340 0.001 0.000 0.273 269 L C 0.189 177.040 176.870 -0.032 0.000 1.195 269 L CA 0.627 55.346 54.840 -0.200 0.000 0.882 269 L CB 0.219 41.952 42.059 -0.543 0.000 1.133 269 L HN 0.719 nan 8.230 nan 0.000 0.483 270 E N 3.784 124.073 120.200 0.148 0.000 2.274 270 E HA 0.217 4.568 4.350 0.001 0.000 0.269 270 E C -1.136 175.662 176.600 0.331 0.000 0.891 270 E CA -0.841 55.701 56.400 0.236 0.000 0.784 270 E CB 1.439 31.188 29.700 0.081 0.000 1.225 270 E HN 0.315 nan 8.360 nan 0.000 0.412 271 F N 3.381 123.455 119.950 0.208 0.000 2.595 271 F HA 0.240 4.768 4.527 0.000 0.000 0.359 271 F C -0.220 175.462 175.800 -0.196 0.000 1.147 271 F CA 0.576 58.401 58.000 -0.291 0.000 1.341 271 F CB 1.250 40.054 39.000 -0.326 0.000 1.104 271 F HN 0.289 nan 8.300 nan 0.000 0.603 272 S N 5.067 119.833 115.700 -1.558 0.000 2.779 272 S HA 0.205 4.675 4.470 0.001 0.000 0.293 272 S C 0.342 173.995 174.600 -1.579 0.000 1.150 272 S CA -0.769 56.741 58.200 -1.149 0.000 1.057 272 S CB 0.201 63.060 63.200 -0.569 0.000 1.021 272 S HN 0.794 nan 8.310 nan 0.000 0.485 273 N N 4.618 122.622 118.700 -1.159 0.000 2.571 273 N HA -0.083 4.658 4.740 0.001 0.000 0.189 273 N C 0.388 175.796 175.510 -0.171 0.000 1.154 273 N CA -0.135 52.645 53.050 -0.450 0.000 0.907 273 N CB -0.398 38.091 38.487 0.004 0.000 0.977 273 N HN 0.811 nan 8.380 nan 0.000 0.449 274 K N -0.208 120.057 120.400 -0.224 0.000 2.402 274 K HA -0.119 4.201 4.320 0.001 0.000 0.265 274 K C -0.921 175.693 176.600 0.024 0.000 0.978 274 K CA -0.122 56.120 56.287 -0.076 0.000 0.913 274 K CB 0.246 32.683 32.500 -0.105 0.000 0.954 274 K HN 0.129 nan 8.250 nan 0.000 0.511 275 Y N 0.536 120.808 120.300 -0.046 0.000 2.361 275 Y HA 0.434 4.984 4.550 0.001 0.000 0.337 275 Y C -1.654 174.238 175.900 -0.013 0.000 0.965 275 Y CA -0.925 57.164 58.100 -0.018 0.000 1.091 275 Y CB 1.713 40.171 38.460 -0.005 0.000 1.182 275 Y HN 0.347 nan 8.280 nan 0.000 0.450 276 V N 6.649 126.143 119.914 -0.700 0.000 2.531 276 V HA 0.472 4.592 4.120 0.001 0.000 0.301 276 V C -0.654 175.010 176.094 -0.718 0.000 1.034 276 V CA -0.966 61.036 62.300 -0.495 0.000 0.865 276 V CB 1.484 33.163 31.823 -0.241 0.000 0.995 276 V HN 0.683 nan 8.190 nan 0.000 0.424 277 R N 4.074 124.310 120.500 -0.440 0.000 2.234 277 R HA 0.621 4.961 4.340 0.001 0.000 0.324 277 R C 0.173 176.414 176.300 -0.099 0.000 1.054 277 R CA 0.106 56.075 56.100 -0.219 0.000 0.912 277 R CB 0.730 31.063 30.300 0.056 0.000 1.030 277 R HN 0.914 nan 8.270 nan 0.000 0.455 278 A N 6.520 129.298 122.820 -0.069 0.000 2.484 278 A HA 0.250 4.571 4.320 0.001 0.000 0.268 278 A C -0.067 177.527 177.584 0.017 0.000 1.114 278 A CA -0.107 51.918 52.037 -0.020 0.000 0.780 278 A CB -0.267 18.737 19.000 0.007 0.000 1.061 278 A HN 0.793 nan 8.150 nan 0.000 0.505 279 I N 3.950 124.527 120.570 0.012 0.000 2.330 279 I HA 0.307 4.477 4.170 0.001 0.000 0.289 279 I C -0.770 175.359 176.117 0.019 0.000 1.001 279 I CA -0.477 60.838 61.300 0.025 0.000 1.193 279 I CB 1.599 39.605 38.000 0.010 0.000 1.345 279 I HN 0.281 nan 8.210 nan 0.000 0.461 280 V N 8.535 128.476 119.914 0.045 0.000 2.483 280 V HA 0.372 4.492 4.120 0.001 0.000 0.297 280 V C -2.157 173.981 176.094 0.072 0.000 1.027 280 V CA -1.644 60.659 62.300 0.004 0.000 0.855 280 V CB 2.002 33.753 31.823 -0.120 0.000 0.995 280 V HN 0.576 nan 8.190 nan 0.000 0.424 281 P HA 0.189 nan 4.420 nan 0.000 0.275 281 P C 0.276 177.657 177.300 0.135 0.000 1.227 281 P CA -0.069 63.072 63.100 0.068 0.000 0.781 281 P CB 1.227 32.941 31.700 0.023 0.000 0.906 282 D N 2.587 123.107 120.400 0.199 0.000 2.157 282 D HA -0.257 4.383 4.640 0.001 0.000 0.191 282 D C 1.905 178.337 176.300 0.221 0.000 1.004 282 D CA 1.842 56.015 54.000 0.289 0.000 0.854 282 D CB -0.184 40.706 40.800 0.149 0.000 0.936 282 D HN 0.643 nan 8.370 nan 0.000 0.446 283 Q N 0.769 120.634 119.800 0.108 0.000 2.242 283 Q HA -0.195 4.145 4.340 0.001 0.000 0.211 283 Q C 1.858 177.882 176.000 0.041 0.000 0.992 283 Q CA 2.031 57.872 55.803 0.063 0.000 0.889 283 Q CB -0.831 27.925 28.738 0.030 0.000 0.913 283 Q HN 0.153 nan 8.270 nan 0.000 0.422 284 T N 0.697 115.247 114.554 -0.006 0.000 2.737 284 T HA -0.092 4.258 4.350 0.001 0.000 0.265 284 T C 1.305 175.950 174.700 -0.092 0.000 1.038 284 T CA 1.418 63.454 62.100 -0.106 0.000 1.144 284 T CB -0.398 68.329 68.868 -0.235 0.000 0.866 284 T HN 0.278 nan 8.240 nan 0.000 0.434 285 F N 2.094 122.060 119.950 0.027 0.000 2.202 285 F HA -0.108 4.419 4.527 0.000 0.000 0.301 285 F C 2.229 178.043 175.800 0.023 0.000 1.082 285 F CA 0.867 58.885 58.000 0.030 0.000 1.313 285 F CB -0.643 38.370 39.000 0.023 0.000 1.024 285 F HN 0.117 nan 8.300 nan 0.000 0.495 286 D N 0.309 120.823 120.400 0.189 0.000 2.077 286 D HA -0.165 4.476 4.640 0.001 0.000 0.193 286 D C 2.134 178.478 176.300 0.073 0.000 0.989 286 D CA 1.502 55.568 54.000 0.109 0.000 0.831 286 D CB -0.710 40.135 40.800 0.075 0.000 0.979 286 D HN 0.313 nan 8.370 nan 0.000 0.449 287 E N 0.163 120.389 120.200 0.043 0.000 2.108 287 E HA -0.222 4.128 4.350 0.001 0.000 0.203 287 E C 2.075 178.690 176.600 0.025 0.000 1.022 287 E CA 0.749 57.159 56.400 0.018 0.000 0.823 287 E CB -0.211 29.483 29.700 -0.010 0.000 0.744 287 E HN 0.104 nan 8.360 nan 0.000 0.456 288 L N 1.257 122.500 121.223 0.033 0.000 2.141 288 L HA -0.137 4.203 4.340 0.001 0.000 0.209 288 L C 1.338 178.251 176.870 0.072 0.000 1.094 288 L CA 1.831 56.700 54.840 0.048 0.000 0.763 288 L CB -0.355 41.736 42.059 0.054 0.000 0.908 288 L HN 0.030 nan 8.230 nan 0.000 0.437 289 N N -1.299 117.454 118.700 0.087 0.000 2.250 289 N HA -0.135 4.605 4.740 0.001 0.000 0.181 289 N C 1.660 177.199 175.510 0.049 0.000 1.017 289 N CA 0.980 54.075 53.050 0.076 0.000 0.866 289 N CB -0.043 38.494 38.487 0.083 0.000 0.985 289 N HN 0.507 nan 8.380 nan 0.000 0.429 290 Q N 0.365 120.189 119.800 0.041 0.000 2.135 290 Q HA -0.141 4.199 4.340 0.001 0.000 0.204 290 Q C 1.766 177.778 176.000 0.021 0.000 0.981 290 Q CA 1.218 57.037 55.803 0.026 0.000 0.856 290 Q CB -0.179 28.571 28.738 0.020 0.000 0.902 290 Q HN 0.496 nan 8.270 nan 0.000 0.425 291 M N 0.093 119.706 119.600 0.023 0.000 2.254 291 M HA -0.096 4.384 4.480 0.001 0.000 0.265 291 M C 1.994 178.306 176.300 0.020 0.000 1.066 291 M CA 1.134 56.445 55.300 0.017 0.000 1.123 291 M CB -0.033 32.577 32.600 0.017 0.000 1.388 291 M HN 0.215 nan 8.290 nan 0.000 0.425 292 L N -0.314 120.927 121.223 0.030 0.000 2.109 292 L HA -0.181 4.159 4.340 0.001 0.000 0.207 292 L C 1.931 178.815 176.870 0.022 0.000 1.086 292 L CA 0.735 55.593 54.840 0.031 0.000 0.760 292 L CB -0.641 41.446 42.059 0.047 0.000 0.910 292 L HN 0.275 nan 8.230 nan 0.000 0.437 293 D N 0.102 120.515 120.400 0.022 0.000 2.084 293 D HA -0.162 4.478 4.640 0.001 0.000 0.196 293 D C 1.858 178.164 176.300 0.010 0.000 0.985 293 D CA 1.038 55.047 54.000 0.016 0.000 0.826 293 D CB -0.373 40.437 40.800 0.016 0.000 0.978 293 D HN 0.274 nan 8.370 nan 0.000 0.456 294 N N 0.828 119.533 118.700 0.008 0.000 2.094 294 N HA -0.151 4.589 4.740 0.001 0.000 0.191 294 N C 2.007 177.517 175.510 0.000 0.000 1.023 294 N CA 0.827 53.878 53.050 0.002 0.000 0.857 294 N CB -0.348 38.139 38.487 0.001 0.000 1.013 294 N HN 0.290 nan 8.380 nan 0.000 0.426 295 M N 0.657 120.258 119.600 0.003 0.000 2.080 295 M HA -0.161 4.319 4.480 0.001 0.000 0.260 295 M C 2.187 178.487 176.300 0.000 0.000 1.068 295 M CA 1.544 56.845 55.300 0.001 0.000 1.109 295 M CB -0.201 32.401 32.600 0.003 0.000 1.342 295 M HN 0.138 nan 8.290 nan 0.000 0.405 296 R N -0.017 120.485 120.500 0.003 0.000 2.057 296 R HA -0.076 4.264 4.340 0.001 0.000 0.229 296 R C 2.190 178.490 176.300 0.001 0.000 1.136 296 R CA 0.912 57.014 56.100 0.003 0.000 0.952 296 R CB -0.347 29.957 30.300 0.007 0.000 0.848 296 R HN 0.208 nan 8.270 nan 0.000 0.430 297 K N 0.763 121.163 120.400 0.001 0.000 2.173 297 K HA -0.156 4.164 4.320 0.001 0.000 0.207 297 K C 1.646 178.243 176.600 -0.005 0.000 1.046 297 K CA 1.537 57.822 56.287 -0.002 0.000 0.929 297 K CB -0.314 32.185 32.500 -0.002 0.000 0.720 297 K HN 0.207 nan 8.250 nan 0.000 0.453 298 A N -0.128 122.688 122.820 -0.006 0.000 2.327 298 A HA 0.373 4.694 4.320 0.001 0.000 0.228 298 A C 1.407 178.987 177.584 -0.007 0.000 1.275 298 A CA 0.952 52.983 52.037 -0.010 0.000 0.875 298 A CB -0.304 18.688 19.000 -0.013 0.000 0.925 298 A HN 0.409 nan 8.150 nan 0.000 0.493 299 G N -0.817 107.981 108.800 -0.004 0.000 2.345 299 G HA2 -0.218 3.743 3.960 0.001 0.000 0.218 299 G HA3 -0.218 3.743 3.960 0.001 0.000 0.218 299 G C 0.297 175.196 174.900 -0.002 0.000 1.058 299 G CA -0.075 45.024 45.100 -0.001 0.000 0.632 299 G HN 0.440 nan 8.290 nan 0.000 0.508 300 L N 0.883 122.104 121.223 -0.003 0.000 2.573 300 L HA 0.275 4.615 4.340 0.001 0.000 0.290 300 L C 1.647 178.514 176.870 -0.006 0.000 1.247 300 L CA 0.811 55.647 54.840 -0.007 0.000 0.876 300 L CB 0.865 42.920 42.059 -0.008 0.000 1.123 300 L HN 0.181 nan 8.230 nan 0.000 0.505 301 V N 0.189 120.097 119.914 -0.010 0.000 3.889 301 V HA -0.020 4.101 4.120 0.001 0.000 0.184 301 V C 1.227 177.316 176.094 -0.008 0.000 1.311 301 V CA 0.058 62.355 62.300 -0.005 0.000 1.277 301 V CB -0.170 31.652 31.823 -0.002 0.000 1.364 301 V HN 0.703 nan 8.190 nan 0.000 0.567 302 D N 0.975 121.364 120.400 -0.019 0.000 2.103 302 D HA -0.160 4.480 4.640 0.001 0.000 0.190 302 D C 2.012 178.292 176.300 -0.033 0.000 0.997 302 D CA 1.977 55.961 54.000 -0.026 0.000 0.833 302 D CB -0.158 40.610 40.800 -0.052 0.000 0.961 302 D HN 0.394 nan 8.370 nan 0.000 0.447 303 I N 0.866 121.407 120.570 -0.048 0.000 2.163 303 I HA -0.238 3.932 4.170 0.001 0.000 0.243 303 I C -0.693 175.410 176.117 -0.024 0.000 1.085 303 I CA 1.145 62.414 61.300 -0.050 0.000 1.347 303 I CB -1.124 36.845 38.000 -0.052 0.000 1.044 303 I HN 0.052 nan 8.210 nan 0.000 0.408 304 P HA -0.191 nan 4.420 nan 0.000 0.219 304 P C 1.495 178.809 177.300 0.023 0.000 1.146 304 P CA 1.422 64.527 63.100 0.008 0.000 0.808 304 P CB -0.015 31.691 31.700 0.010 0.000 0.779 305 K N -0.544 119.867 120.400 0.019 0.000 2.031 305 K HA -0.051 4.269 4.320 0.001 0.000 0.205 305 K C 2.004 178.631 176.600 0.045 0.000 1.049 305 K CA 1.307 57.613 56.287 0.031 0.000 0.939 305 K CB -0.422 32.093 32.500 0.025 0.000 0.717 305 K HN 0.028 nan 8.250 nan 0.000 0.438 306 M N 0.555 120.172 119.600 0.029 0.000 2.143 306 M HA -0.233 4.247 4.480 0.001 0.000 0.258 306 M C 2.007 178.357 176.300 0.083 0.000 1.071 306 M CA 1.658 56.980 55.300 0.037 0.000 1.088 306 M CB -0.333 32.257 32.600 -0.016 0.000 1.360 306 M HN 0.198 nan 8.290 nan 0.000 0.404 307 I N -0.996 119.616 120.570 0.069 0.000 2.406 307 I HA -0.219 3.951 4.170 0.001 0.000 0.249 307 I C 2.529 178.775 176.117 0.216 0.000 1.122 307 I CA 0.865 62.245 61.300 0.133 0.000 1.431 307 I CB -0.313 37.724 38.000 0.063 0.000 1.087 307 I HN 0.259 nan 8.210 nan 0.000 0.424 308 Q N 1.225 121.104 119.800 0.133 0.000 2.050 308 Q HA -0.218 4.122 4.340 0.001 0.000 0.202 308 Q C 1.711 177.771 176.000 0.100 0.000 0.980 308 Q CA 1.854 57.723 55.803 0.110 0.000 0.840 308 Q CB -0.058 28.721 28.738 0.068 0.000 0.898 308 Q HN 0.382 nan 8.270 nan 0.000 0.424 309 D N -0.862 119.598 120.400 0.098 0.000 2.120 309 D HA -0.211 4.430 4.640 0.001 0.000 0.191 309 D C 1.344 177.695 176.300 0.085 0.000 0.994 309 D CA 1.407 55.453 54.000 0.078 0.000 0.838 309 D CB -0.910 39.941 40.800 0.084 0.000 0.976 309 D HN 0.421 nan 8.370 nan 0.000 0.447 310 W N 1.668 122.974 121.300 0.009 0.000 2.276 310 W HA -0.231 4.429 4.660 0.000 0.000 0.307 310 W C 2.056 178.603 176.519 0.047 0.000 1.240 310 W CA 1.400 58.756 57.345 0.018 0.000 1.249 310 W CB -0.573 28.875 29.460 -0.019 0.000 1.140 310 W HN -0.014 nan 8.180 nan 0.000 0.519 311 L N 0.462 121.656 121.223 -0.048 0.000 2.456 311 L HA -0.178 4.162 4.340 0.001 0.000 0.224 311 L C 2.349 179.096 176.870 -0.205 0.000 1.148 311 L CA 0.900 55.641 54.840 -0.166 0.000 0.825 311 L CB -0.890 41.236 42.059 0.112 0.000 0.937 311 L HN 0.086 nan 8.230 nan 0.000 0.450 312 V N -2.069 117.737 119.914 -0.180 0.000 2.244 312 V HA -0.209 3.912 4.120 0.001 0.000 0.244 312 V C 1.816 177.805 176.094 -0.176 0.000 1.042 312 V CA 2.070 64.288 62.300 -0.138 0.000 1.006 312 V CB -0.729 31.039 31.823 -0.091 0.000 0.641 312 V HN 0.493 nan 8.190 nan 0.000 0.446 313 D N -0.411 119.844 120.400 -0.240 0.000 2.394 313 D HA 0.067 4.708 4.640 0.001 0.000 0.226 313 D C 1.171 177.267 176.300 -0.339 0.000 0.990 313 D CA 0.250 54.122 54.000 -0.213 0.000 0.902 313 D CB -0.354 40.364 40.800 -0.137 0.000 1.038 313 D HN 0.535 nan 8.370 nan 0.000 0.499 314 R N 0.407 120.481 120.500 -0.709 0.000 3.246 314 R HA -0.096 4.244 4.340 0.001 0.000 0.260 314 R C -0.601 175.535 176.300 -0.273 0.000 1.034 314 R CA 0.626 56.056 56.100 -1.117 0.000 0.691 314 R CB -2.821 27.023 30.300 -0.759 0.000 1.186 314 R HN 0.420 nan 8.270 nan 0.000 0.416 315 S N -0.313 115.337 115.700 -0.083 0.000 2.499 315 S HA 0.261 4.731 4.470 0.001 0.000 0.275 315 S C 1.233 176.066 174.600 0.388 0.000 1.257 315 S CA -0.571 57.722 58.200 0.155 0.000 1.050 315 S CB 1.388 64.657 63.200 0.116 0.000 0.937 315 S HN 0.342 nan 8.310 nan 0.000 0.490 316 I N 2.403 123.155 120.570 0.304 0.000 2.657 316 I HA -0.100 4.070 4.170 0.001 0.000 0.261 316 I C 1.777 178.080 176.117 0.311 0.000 1.212 316 I CA 1.491 62.970 61.300 0.299 0.000 1.453 316 I CB -0.481 37.613 38.000 0.157 0.000 1.092 316 I HN 0.813 nan 8.210 nan 0.000 0.452 317 E N 0.196 120.552 120.200 0.259 0.000 2.216 317 E HA -0.048 4.302 4.350 0.001 0.000 0.192 317 E C 1.309 178.059 176.600 0.249 0.000 0.988 317 E CA 0.788 57.318 56.400 0.216 0.000 0.834 317 E CB 0.020 29.811 29.700 0.152 0.000 0.772 317 E HN 0.401 nan 8.360 nan 0.000 0.479 318 K N -0.524 120.075 120.400 0.333 0.000 2.576 318 K HA 0.146 4.466 4.320 0.001 0.000 0.209 318 K C 0.273 177.132 176.600 0.431 0.000 1.049 318 K CA -0.242 56.252 56.287 0.344 0.000 1.140 318 K CB 0.280 32.974 32.500 0.323 0.000 0.871 318 K HN 0.064 nan 8.250 nan 0.000 0.479 319 F N 1.744 121.822 119.950 0.214 0.000 2.569 319 F HA 0.127 4.655 4.527 0.001 0.000 0.295 319 F C -1.332 174.367 175.800 -0.169 0.000 1.115 319 F CA -0.607 57.342 58.000 -0.085 0.000 1.450 319 F CB 0.168 39.141 39.000 -0.046 0.000 1.107 319 F HN -0.004 nan 8.300 nan 0.000 0.563 320 P HA -0.202 nan 4.420 nan 0.000 0.220 320 P C 1.684 178.943 177.300 -0.069 0.000 1.144 320 P CA 1.107 64.255 63.100 0.080 0.000 0.800 320 P CB 0.004 31.789 31.700 0.141 0.000 0.772 321 L N -1.719 119.410 121.223 -0.157 0.000 2.023 321 L HA -0.083 4.257 4.340 0.001 0.000 0.205 321 L C 2.119 178.791 176.870 -0.330 0.000 1.073 321 L CA 1.905 56.640 54.840 -0.175 0.000 0.745 321 L CB -1.014 40.974 42.059 -0.118 0.000 0.900 321 L HN -0.121 nan 8.230 nan 0.000 0.435 322 M N -0.481 118.712 119.600 -0.678 0.000 2.108 322 M HA -0.182 4.298 4.480 0.001 0.000 0.261 322 M C 2.431 178.347 176.300 -0.639 0.000 1.066 322 M CA 1.915 56.691 55.300 -0.873 0.000 1.107 322 M CB -1.886 29.677 32.600 -1.728 0.000 1.356 322 M HN 0.410 nan 8.290 nan 0.000 0.406 323 A N 0.076 122.514 122.820 -0.636 0.000 1.902 323 A HA -0.195 4.125 4.320 0.001 0.000 0.217 323 A C 2.363 179.982 177.584 0.059 0.000 1.181 323 A CA 1.961 53.883 52.037 -0.193 0.000 0.623 323 A CB -0.694 18.265 19.000 -0.069 0.000 0.818 323 A HN 0.507 nan 8.150 nan 0.000 0.443 324 K N -0.259 120.173 120.400 0.053 0.000 2.063 324 K HA -0.135 4.185 4.320 0.001 0.000 0.208 324 K C 1.847 178.649 176.600 0.338 0.000 1.048 324 K CA 1.686 58.120 56.287 0.244 0.000 0.928 324 K CB -0.329 32.262 32.500 0.152 0.000 0.713 324 K HN 0.549 nan 8.250 nan 0.000 0.442 325 I N -0.015 120.615 120.570 0.099 0.000 2.142 325 I HA -0.301 3.869 4.170 0.001 0.000 0.240 325 I C 2.278 178.505 176.117 0.184 0.000 1.078 325 I CA 1.307 62.663 61.300 0.093 0.000 1.343 325 I CB -0.479 37.492 38.000 -0.048 0.000 1.046 325 I HN 0.220 nan 8.210 nan 0.000 0.405 326 Y N 1.577 121.849 120.300 -0.047 0.000 2.181 326 Y HA -0.339 4.211 4.550 0.001 0.000 0.284 326 Y C 2.729 178.600 175.900 -0.049 0.000 1.179 326 Y CA 2.102 60.140 58.100 -0.103 0.000 1.179 326 Y CB -0.133 38.177 38.460 -0.251 0.000 0.973 326 Y HN 0.077 nan 8.280 nan 0.000 0.519 327 S N -1.409 114.428 115.700 0.229 0.000 2.414 327 S HA -0.137 4.333 4.470 0.001 0.000 0.227 327 S C 1.374 176.018 174.600 0.072 0.000 1.022 327 S CA 0.918 59.173 58.200 0.092 0.000 0.958 327 S CB -0.445 62.866 63.200 0.184 0.000 0.797 327 S HN 0.629 nan 8.310 nan 0.000 0.493 328 W N 2.274 123.631 121.300 0.094 0.000 2.436 328 W HA -0.043 4.617 4.660 0.000 0.000 0.284 328 W C 2.819 179.411 176.519 0.121 0.000 1.225 328 W CA 0.956 58.382 57.345 0.135 0.000 1.271 328 W CB -0.802 28.724 29.460 0.110 0.000 1.114 328 W HN 0.380 nan 8.180 nan 0.000 0.559 329 S N -0.308 115.548 115.700 0.260 0.000 2.407 329 S HA -0.282 4.188 4.470 0.001 0.000 0.235 329 S C 1.785 176.503 174.600 0.197 0.000 1.036 329 S CA 1.328 59.633 58.200 0.176 0.000 1.013 329 S CB -0.966 62.284 63.200 0.084 0.000 0.820 329 S HN 0.132 nan 8.310 nan 0.000 0.476 330 F N 2.033 121.876 119.950 -0.179 0.000 2.325 330 F HA 0.148 4.676 4.527 0.001 0.000 0.299 330 F C 2.316 177.835 175.800 -0.470 0.000 1.090 330 F CA 0.378 58.168 58.000 -0.349 0.000 1.392 330 F CB -0.739 37.985 39.000 -0.460 0.000 1.053 330 F HN 0.399 nan 8.300 nan 0.000 0.521 331 H N -0.253 118.716 119.070 -0.169 0.000 2.556 331 H HA 0.058 4.614 4.556 0.000 0.000 0.273 331 H C 2.096 177.329 175.328 -0.158 0.000 1.030 331 H CA 0.826 56.726 56.048 -0.247 0.000 1.156 331 H CB -0.156 29.394 29.762 -0.354 0.000 1.326 331 H HN 0.250 nan 8.280 nan 0.000 0.609 332 V N -2.224 117.644 119.914 -0.077 0.000 3.041 332 V HA 0.286 4.407 4.120 0.001 0.000 0.260 332 V C 1.174 177.207 176.094 -0.102 0.000 1.105 332 V CA 0.653 62.923 62.300 -0.050 0.000 1.125 332 V CB -0.277 31.526 31.823 -0.032 0.000 0.730 332 V HN 0.522 nan 8.190 nan 0.000 0.479 333 G N -0.653 108.003 108.800 -0.239 0.000 2.408 333 G HA2 0.039 3.999 3.960 0.001 0.000 0.682 333 G HA3 0.039 3.999 3.960 0.001 0.000 0.682 333 G C -0.855 173.840 174.900 -0.342 0.000 1.303 333 G CA -0.562 44.390 45.100 -0.247 0.000 0.966 333 G HN 0.294 nan 8.290 nan 0.000 0.560 334 F N -0.017 119.878 119.950 -0.092 0.000 2.370 334 F HA 0.700 5.227 4.527 0.000 0.000 0.319 334 F C 1.381 177.141 175.800 -0.067 0.000 1.129 334 F CA -0.251 57.686 58.000 -0.105 0.000 1.109 334 F CB 1.235 40.200 39.000 -0.058 0.000 1.262 334 F HN 0.449 nan 8.300 nan 0.000 0.534 335 R N 2.069 122.651 120.500 0.137 0.000 2.346 335 R HA 0.277 4.617 4.340 0.001 0.000 0.309 335 R C -1.272 175.102 176.300 0.124 0.000 1.119 335 R CA -0.518 55.628 56.100 0.077 0.000 1.112 335 R CB 0.148 30.445 30.300 -0.005 0.000 1.132 335 R HN 0.612 nan 8.270 nan 0.000 0.538 336 K N 3.903 124.408 120.400 0.176 0.000 2.300 336 K HA 0.147 4.467 4.320 0.001 0.000 0.264 336 K C -0.085 176.663 176.600 0.247 0.000 1.083 336 K CA -0.338 56.052 56.287 0.171 0.000 0.958 336 K CB 1.592 34.187 32.500 0.158 0.000 1.318 336 K HN 0.503 nan 8.250 nan 0.000 0.448 337 Q N 1.489 121.421 119.800 0.221 0.000 2.226 337 Q HA 0.241 4.582 4.340 0.001 0.000 0.171 337 Q C -0.310 175.832 176.000 0.237 0.000 1.077 337 Q CA -0.501 55.510 55.803 0.347 0.000 1.135 337 Q CB 0.590 29.479 28.738 0.251 0.000 1.413 337 Q HN 0.263 nan 8.270 nan 0.000 0.589 338 K N 0.713 121.240 120.400 0.211 0.000 2.185 338 K HA 0.208 4.528 4.320 0.001 0.000 0.269 338 K C 0.986 177.611 176.600 0.041 0.000 0.987 338 K CA -0.407 55.877 56.287 -0.005 0.000 0.865 338 K CB 0.919 33.302 32.500 -0.195 0.000 1.090 338 K HN 0.469 nan 8.250 nan 0.000 0.450 339 M N 1.878 121.483 119.600 0.007 0.000 2.128 339 M HA -0.247 4.233 4.480 0.001 0.000 0.253 339 M C 1.825 178.145 176.300 0.032 0.000 1.079 339 M CA 1.724 57.032 55.300 0.013 0.000 1.082 339 M CB -0.832 31.763 32.600 -0.007 0.000 1.335 339 M HN 0.613 nan 8.290 nan 0.000 0.401 340 L N 0.720 121.961 121.223 0.030 0.000 2.017 340 L HA -0.176 4.165 4.340 0.001 0.000 0.208 340 L C 1.985 178.897 176.870 0.071 0.000 1.073 340 L CA 2.001 56.869 54.840 0.047 0.000 0.745 340 L CB -1.048 41.031 42.059 0.034 0.000 0.894 340 L HN 0.288 nan 8.230 nan 0.000 0.432 341 D N -0.287 120.170 120.400 0.094 0.000 2.097 341 D HA -0.176 4.464 4.640 0.001 0.000 0.195 341 D C 2.081 178.434 176.300 0.088 0.000 0.989 341 D CA 1.547 55.613 54.000 0.110 0.000 0.827 341 D CB 0.004 40.913 40.800 0.181 0.000 0.966 341 D HN 0.469 nan 8.370 nan 0.000 0.456 342 A N 1.286 124.160 122.820 0.089 0.000 1.948 342 A HA -0.130 4.190 4.320 0.001 0.000 0.220 342 A C 2.273 179.902 177.584 0.074 0.000 1.177 342 A CA 2.312 54.390 52.037 0.069 0.000 0.636 342 A CB -0.460 18.573 19.000 0.055 0.000 0.815 342 A HN 0.281 nan 8.150 nan 0.000 0.449 343 A N -1.670 121.205 122.820 0.092 0.000 2.030 343 A HA 0.303 4.623 4.320 0.001 0.000 0.215 343 A C 1.940 179.612 177.584 0.146 0.000 1.164 343 A CA 1.003 53.139 52.037 0.164 0.000 0.697 343 A CB -0.314 18.784 19.000 0.163 0.000 0.827 343 A HN 0.388 nan 8.150 nan 0.000 0.457 344 L N 0.990 122.264 121.223 0.086 0.000 2.093 344 L HA -0.140 4.200 4.340 0.001 0.000 0.208 344 L C 1.982 178.863 176.870 0.018 0.000 1.085 344 L CA 2.136 57.005 54.840 0.048 0.000 0.755 344 L CB -0.582 41.503 42.059 0.045 0.000 0.904 344 L HN 0.626 nan 8.230 nan 0.000 0.435 345 D N -0.490 119.924 120.400 0.024 0.000 2.347 345 D HA -0.271 4.369 4.640 0.001 0.000 0.208 345 D C 1.047 177.333 176.300 -0.023 0.000 0.994 345 D CA 1.010 55.013 54.000 0.005 0.000 0.924 345 D CB -0.761 40.046 40.800 0.013 0.000 0.892 345 D HN 0.667 nan 8.370 nan 0.000 0.471 359 M N 0.050 119.621 119.600 -0.048 0.000 2.371 359 M HA 0.327 4.807 4.480 0.001 0.000 0.246 359 M C 0.358 176.590 176.300 -0.113 0.000 1.103 359 M CA 0.238 55.465 55.300 -0.122 0.000 1.010 359 M CB 0.178 32.642 32.600 -0.227 0.000 1.457 359 M HN 0.047 nan 8.290 nan 0.000 0.486 360 Y N -0.302 120.070 120.300 0.120 0.000 2.523 360 Y HA 0.088 4.639 4.550 0.000 0.000 0.279 360 Y C 2.251 178.263 175.900 0.187 0.000 1.139 360 Y CA 0.509 58.739 58.100 0.217 0.000 1.296 360 Y CB -0.442 38.191 38.460 0.288 0.000 1.045 360 Y HN 0.180 nan 8.280 nan 0.000 0.538 361 R N 0.842 121.486 120.500 0.241 0.000 2.134 361 R HA -0.291 4.049 4.340 0.001 0.000 0.248 361 R C 2.142 178.526 176.300 0.140 0.000 1.143 361 R CA 2.290 58.485 56.100 0.158 0.000 0.957 361 R CB -0.193 30.166 30.300 0.099 0.000 0.867 361 R HN 0.452 nan 8.270 nan 0.000 0.441 362 E N -0.988 119.295 120.200 0.138 0.000 2.028 362 E HA -0.243 4.108 4.350 0.001 0.000 0.191 362 E C 1.800 178.506 176.600 0.177 0.000 0.988 362 E CA 1.286 57.758 56.400 0.121 0.000 0.799 362 E CB -0.290 29.464 29.700 0.089 0.000 0.755 362 E HN 0.422 nan 8.360 nan 0.000 0.447 363 Y N 1.228 121.602 120.300 0.123 0.000 2.315 363 Y HA -0.196 4.354 4.550 0.001 0.000 0.288 363 Y C 2.054 178.067 175.900 0.189 0.000 1.154 363 Y CA 1.932 60.135 58.100 0.170 0.000 1.229 363 Y CB -0.353 38.266 38.460 0.264 0.000 0.980 363 Y HN 0.002 nan 8.280 nan 0.000 0.540 364 T N 0.128 114.683 114.554 0.001 0.000 3.035 364 T HA -0.038 4.313 4.350 0.001 0.000 0.259 364 T C 1.847 176.514 174.700 -0.054 0.000 1.078 364 T CA 0.881 62.917 62.100 -0.107 0.000 1.132 364 T CB -0.040 68.831 68.868 0.005 0.000 0.900 364 T HN 0.191 nan 8.240 nan 0.000 0.480 365 M N 1.143 120.748 119.600 0.007 0.000 2.117 365 M HA 0.103 4.583 4.480 0.001 0.000 0.262 365 M C 2.147 178.447 176.300 -0.001 0.000 1.065 365 M CA 1.278 56.583 55.300 0.009 0.000 1.114 365 M CB -1.298 31.320 32.600 0.029 0.000 1.361 365 M HN 0.251 nan 8.290 nan 0.000 0.408 366 L N -0.590 120.640 121.223 0.011 0.000 2.056 366 L HA -0.185 4.155 4.340 0.001 0.000 0.207 366 L C 2.428 179.298 176.870 0.000 0.000 1.078 366 L CA 0.915 55.769 54.840 0.023 0.000 0.749 366 L CB -0.509 41.591 42.059 0.068 0.000 0.901 366 L HN 0.207 nan 8.230 nan 0.000 0.433 367 I N -0.446 120.091 120.570 -0.055 0.000 2.163 367 I HA -0.340 3.831 4.170 0.001 0.000 0.243 367 I C 2.874 178.959 176.117 -0.053 0.000 1.085 367 I CA 1.324 62.590 61.300 -0.057 0.000 1.347 367 I CB -0.395 37.515 38.000 -0.149 0.000 1.044 367 I HN 0.294 nan 8.210 nan 0.000 0.408 368 R N 0.997 121.459 120.500 -0.063 0.000 2.081 368 R HA -0.201 4.140 4.340 0.001 0.000 0.235 368 R C 1.713 177.981 176.300 -0.054 0.000 1.131 368 R CA 2.026 58.091 56.100 -0.059 0.000 0.960 368 R CB -0.205 30.068 30.300 -0.046 0.000 0.856 368 R HN 0.330 nan 8.270 nan 0.000 0.436 369 D N 0.113 120.491 120.400 -0.036 0.000 2.219 369 D HA -0.146 4.494 4.640 0.001 0.000 0.205 369 D C 1.659 177.926 176.300 -0.056 0.000 0.970 369 D CA 1.029 55.009 54.000 -0.034 0.000 0.851 369 D CB -0.062 40.732 40.800 -0.009 0.000 0.943 369 D HN 0.316 nan 8.370 nan 0.000 0.488 370 E N 0.232 120.405 120.200 -0.045 0.000 2.216 370 E HA -0.049 4.301 4.350 0.001 0.000 0.192 370 E C 1.865 178.371 176.600 -0.158 0.000 0.988 370 E CA 0.264 56.623 56.400 -0.068 0.000 0.834 370 E CB 0.104 29.825 29.700 0.035 0.000 0.772 370 E HN -0.021 nan 8.360 nan 0.000 0.479 371 V N -0.360 119.478 119.914 -0.127 0.000 2.667 371 V HA -0.154 3.966 4.120 0.001 0.000 0.252 371 V C 2.072 178.053 176.094 -0.189 0.000 1.065 371 V CA 1.082 63.285 62.300 -0.161 0.000 1.083 371 V CB -0.023 31.723 31.823 -0.127 0.000 0.692 371 V HN 0.157 nan 8.190 nan 0.000 0.468 372 V N -0.232 119.588 119.914 -0.157 0.000 2.231 372 V HA -0.222 3.898 4.120 0.001 0.000 0.240 372 V C 2.395 178.377 176.094 -0.187 0.000 1.039 372 V CA 1.915 64.130 62.300 -0.142 0.000 0.998 372 V CB -0.689 31.078 31.823 -0.093 0.000 0.639 372 V HN 0.445 nan 8.190 nan 0.000 0.451 373 K N -0.397 119.878 120.400 -0.210 0.000 2.097 373 K HA -0.307 4.013 4.320 0.001 0.000 0.214 373 K C 2.121 178.458 176.600 -0.438 0.000 1.052 373 K CA 2.358 58.486 56.287 -0.266 0.000 0.932 373 K CB -0.402 31.915 32.500 -0.305 0.000 0.716 373 K HN 0.415 nan 8.250 nan 0.000 0.455 374 M N 0.057 119.258 119.600 -0.665 0.000 2.117 374 M HA -0.165 4.315 4.480 0.001 0.000 0.262 374 M C 1.906 178.066 176.300 -0.232 0.000 1.065 374 M CA 1.569 56.511 55.300 -0.597 0.000 1.114 374 M CB -0.137 32.149 32.600 -0.524 0.000 1.361 374 M HN 0.107 nan 8.290 nan 0.000 0.408 375 L N -1.335 119.758 121.223 -0.216 0.000 2.590 375 L HA 0.088 4.428 4.340 0.001 0.000 0.227 375 L C 2.025 178.818 176.870 -0.128 0.000 1.099 375 L CA -0.123 54.618 54.840 -0.164 0.000 0.872 375 L CB -0.295 41.649 42.059 -0.192 0.000 1.088 375 L HN 0.263 nan 8.230 nan 0.000 0.479 376 E N 0.962 121.090 120.200 -0.119 0.000 2.028 376 E HA -0.293 4.058 4.350 0.001 0.000 0.217 376 E C 1.861 178.387 176.600 -0.123 0.000 1.039 376 E CA 2.128 58.469 56.400 -0.098 0.000 0.882 376 E CB 0.187 29.841 29.700 -0.076 0.000 0.794 376 E HN 0.296 nan 8.360 nan 0.000 0.488 377 E N -0.405 119.705 120.200 -0.149 0.000 2.048 377 E HA -0.190 4.161 4.350 0.001 0.000 0.202 377 E C -0.084 176.354 176.600 -0.270 0.000 1.021 377 E CA 1.837 58.056 56.400 -0.301 0.000 0.825 377 E CB -1.906 27.652 29.700 -0.236 0.000 0.756 377 E HN 0.384 nan 8.360 nan 0.000 0.454 378 P HA -0.143 nan 4.420 nan 0.000 0.216 378 P C 1.842 179.106 177.300 -0.059 0.000 1.154 378 P CA 1.188 64.237 63.100 -0.083 0.000 0.865 378 P CB 0.004 31.653 31.700 -0.085 0.000 0.789 379 V N -0.064 119.805 119.914 -0.074 0.000 2.244 379 V HA -0.241 3.879 4.120 0.001 0.000 0.244 379 V C 2.273 178.365 176.094 -0.005 0.000 1.042 379 V CA 1.839 64.112 62.300 -0.044 0.000 1.006 379 V CB -1.046 30.742 31.823 -0.059 0.000 0.641 379 V HN 0.092 nan 8.190 nan 0.000 0.446 380 K N -0.645 119.742 120.400 -0.021 0.000 2.127 380 K HA -0.187 4.133 4.320 0.001 0.000 0.208 380 K C 1.278 178.021 176.600 0.239 0.000 1.047 380 K CA 1.719 58.046 56.287 0.067 0.000 0.927 380 K CB -0.260 32.257 32.500 0.027 0.000 0.716 380 K HN 0.673 nan 8.250 nan 0.000 0.450 381 H N 0.760 119.835 119.070 0.008 0.000 2.591 381 H HA 0.076 4.632 4.556 0.001 0.000 0.302 381 H C -0.815 174.527 175.328 0.023 0.000 1.163 381 H CA -0.828 55.230 56.048 0.016 0.000 1.049 381 H CB 0.024 29.796 29.762 0.017 0.000 1.543 381 H HN 0.129 nan 8.280 nan 0.000 0.523 382 D N 2.491 122.968 120.400 0.129 0.000 2.859 382 D HA -0.227 4.414 4.640 0.001 0.000 0.214 382 D C 0.195 176.552 176.300 0.095 0.000 1.250 382 D CA 0.940 54.990 54.000 0.084 0.000 0.635 382 D CB -0.602 40.242 40.800 0.074 0.000 0.961 382 D HN 0.650 nan 8.370 nan 0.000 0.395 383 D N 0.092 120.539 120.400 0.078 0.000 2.548 383 D HA -0.145 4.496 4.640 0.001 0.000 0.231 383 D C 1.914 178.267 176.300 0.089 0.000 1.142 383 D CA 0.146 54.196 54.000 0.083 0.000 0.866 383 D CB 0.618 41.423 40.800 0.008 0.000 1.190 383 D HN 0.465 nan 8.370 nan 0.000 0.469 384 H N 3.837 122.920 119.070 0.021 0.000 2.363 384 H HA -0.146 4.410 4.556 0.001 0.000 0.301 384 H C 1.992 177.338 175.328 0.031 0.000 1.074 384 H CA 0.553 56.626 56.048 0.042 0.000 1.354 384 H CB -0.449 29.351 29.762 0.064 0.000 1.397 384 H HN 0.387 nan 8.280 nan 0.000 0.516 385 L N 1.251 121.961 121.223 -0.855 0.000 2.043 385 L HA -0.137 4.203 4.340 0.001 0.000 0.212 385 L C 2.592 179.317 176.870 -0.242 0.000 1.075 385 L CA 1.344 55.838 54.840 -0.576 0.000 0.752 385 L CB -0.959 40.804 42.059 -0.493 0.000 0.891 385 L HN 0.264 nan 8.230 nan 0.000 0.432 386 L N -1.151 119.969 121.223 -0.172 0.000 2.191 386 L HA -0.188 4.152 4.340 0.001 0.000 0.212 386 L C 2.682 179.519 176.870 -0.056 0.000 1.103 386 L CA 1.124 55.901 54.840 -0.105 0.000 0.769 386 L CB -0.391 41.617 42.059 -0.085 0.000 0.908 386 L HN 0.313 nan 8.230 nan 0.000 0.438 387 R N -0.306 120.174 120.500 -0.034 0.000 2.057 387 R HA -0.042 4.298 4.340 0.001 0.000 0.224 387 R C 0.821 177.131 176.300 0.017 0.000 1.136 387 R CA 0.961 57.066 56.100 0.008 0.000 0.968 387 R CB -0.164 30.163 30.300 0.044 0.000 0.863 387 R HN 0.254 nan 8.270 nan 0.000 0.433 388 D N 1.008 121.418 120.400 0.016 0.000 2.434 388 D HA 0.011 4.651 4.640 0.001 0.000 0.232 388 D C 1.135 177.452 176.300 0.027 0.000 1.166 388 D CA 0.250 54.275 54.000 0.042 0.000 0.830 388 D CB 0.485 41.336 40.800 0.084 0.000 0.960 388 D HN 0.194 nan 8.370 nan 0.000 0.497 389 S N 0.171 115.872 115.700 0.002 0.000 2.402 389 S HA -0.250 4.221 4.470 0.001 0.000 0.233 389 S C 1.761 176.393 174.600 0.054 0.000 1.030 389 S CA 0.848 59.051 58.200 0.005 0.000 1.003 389 S CB -0.124 63.065 63.200 -0.017 0.000 0.813 389 S HN 0.331 nan 8.310 nan 0.000 0.477 390 E N 0.382 120.621 120.200 0.065 0.000 2.150 390 E HA -0.109 4.241 4.350 0.001 0.000 0.193 390 E C 1.951 178.618 176.600 0.112 0.000 0.985 390 E CA 1.042 57.502 56.400 0.100 0.000 0.814 390 E CB -0.141 29.628 29.700 0.116 0.000 0.752 390 E HN 0.521 nan 8.360 nan 0.000 0.466 391 L N 0.516 121.794 121.223 0.092 0.000 2.179 391 L HA 0.048 4.388 4.340 0.001 0.000 0.208 391 L C 2.154 179.082 176.870 0.097 0.000 1.096 391 L CA 1.791 56.682 54.840 0.084 0.000 0.779 391 L CB -0.554 41.551 42.059 0.077 0.000 0.922 391 L HN 0.089 nan 8.230 nan 0.000 0.443 392 A N -0.365 122.524 122.820 0.115 0.000 1.877 392 A HA -0.078 4.242 4.320 0.001 0.000 0.216 392 A C 2.338 180.035 177.584 0.188 0.000 1.186 392 A CA 1.594 53.743 52.037 0.187 0.000 0.620 392 A CB -1.574 17.531 19.000 0.175 0.000 0.822 392 A HN 0.498 nan 8.150 nan 0.000 0.443 393 G N -0.225 108.647 108.800 0.119 0.000 2.418 393 G HA2 -0.175 3.785 3.960 0.001 0.000 0.217 393 G HA3 -0.175 3.785 3.960 0.001 0.000 0.217 393 G C 1.566 176.471 174.900 0.008 0.000 1.158 393 G CA 1.035 46.052 45.100 -0.138 0.000 0.771 393 G HN 0.428 nan 8.290 nan 0.000 0.545 394 L N -0.204 121.075 121.223 0.093 0.000 2.042 394 L HA -0.025 4.316 4.340 0.001 0.000 0.210 394 L C 2.872 179.811 176.870 0.116 0.000 1.076 394 L CA 0.654 55.568 54.840 0.124 0.000 0.749 394 L CB -0.332 41.778 42.059 0.086 0.000 0.893 394 L HN 0.189 nan 8.230 nan 0.000 0.432 395 L N -1.280 119.990 121.223 0.078 0.000 2.217 395 L HA -0.116 4.224 4.340 0.001 0.000 0.211 395 L C 2.319 179.239 176.870 0.084 0.000 1.107 395 L CA 0.736 55.625 54.840 0.082 0.000 0.783 395 L CB -0.189 41.932 42.059 0.103 0.000 0.919 395 L HN 0.158 nan 8.230 nan 0.000 0.442 396 S N -0.974 114.751 115.700 0.040 0.000 2.524 396 S HA 0.076 4.546 4.470 0.001 0.000 0.216 396 S C 0.806 175.525 174.600 0.198 0.000 0.987 396 S CA -0.261 57.966 58.200 0.044 0.000 0.909 396 S CB -0.043 62.949 63.200 -0.346 0.000 0.781 396 S HN 0.184 nan 8.310 nan 0.000 0.521 397 M N 3.511 123.281 119.600 0.284 0.000 2.255 397 M HA 0.008 4.489 4.480 0.001 0.000 0.356 397 M C 0.558 176.841 176.300 -0.029 0.000 1.338 397 M CA -0.142 55.244 55.300 0.143 0.000 0.962 397 M CB 0.114 32.806 32.600 0.153 0.000 1.877 397 M HN 0.262 nan 8.290 nan 0.000 0.463 398 S N 2.457 118.043 115.700 -0.190 0.000 2.694 398 S HA 0.635 5.105 4.470 0.001 0.000 0.278 398 S C 0.349 174.903 174.600 -0.077 0.000 1.152 398 S CA -0.277 57.857 58.200 -0.109 0.000 1.010 398 S CB 1.005 64.117 63.200 -0.148 0.000 1.104 398 S HN 0.903 nan 8.310 nan 0.000 0.547 399 S N -0.670 115.003 115.700 -0.045 0.000 2.484 399 S HA 0.652 5.123 4.470 0.001 0.000 0.242 399 S C 0.333 174.911 174.600 -0.037 0.000 1.158 399 S CA -0.385 57.792 58.200 -0.038 0.000 1.162 399 S CB -0.568 62.624 63.200 -0.012 0.000 0.850 399 S HN 1.006 nan 8.310 nan 0.000 0.477 400 A N 1.640 124.428 122.820 -0.055 0.000 2.529 400 A HA 0.795 5.115 4.320 0.001 0.000 0.269 400 A C 0.585 178.141 177.584 -0.046 0.000 1.509 400 A CA -0.459 51.554 52.037 -0.040 0.000 0.857 400 A CB -0.149 18.822 19.000 -0.049 0.000 1.531 400 A HN 0.551 nan 8.150 nan 0.000 0.541 401 S N -1.576 114.108 115.700 -0.026 0.000 2.601 401 S HA 0.191 4.661 4.470 0.001 0.000 0.271 401 S C 0.659 175.256 174.600 -0.005 0.000 1.305 401 S CA -0.176 58.011 58.200 -0.021 0.000 1.022 401 S CB 0.457 63.662 63.200 0.010 0.000 0.940 401 S HN 0.659 nan 8.310 nan 0.000 0.525 402 N N 1.317 120.016 118.700 -0.001 0.000 2.294 402 N HA 0.285 5.025 4.740 0.001 0.000 0.186 402 N C 0.971 176.554 175.510 0.122 0.000 1.107 402 N CA 1.173 54.280 53.050 0.096 0.000 0.884 402 N CB 0.589 39.172 38.487 0.161 0.000 1.030 402 N HN 0.874 nan 8.380 nan 0.000 0.482 403 G N -0.099 108.763 108.800 0.104 0.000 2.981 403 G HA2 -0.192 3.768 3.960 0.001 0.000 0.198 403 G HA3 -0.192 3.768 3.960 0.001 0.000 0.198 403 G C -0.429 174.534 174.900 0.105 0.000 1.806 403 G CA -0.266 44.886 45.100 0.086 0.000 1.374 403 G HN 0.374 nan 8.290 nan 0.000 0.555 404 E N 0.614 120.904 120.200 0.151 0.000 2.345 404 E HA 0.554 4.905 4.350 0.001 0.000 0.259 404 E C -0.241 176.487 176.600 0.214 0.000 1.117 404 E CA 0.216 56.693 56.400 0.129 0.000 0.913 404 E CB 1.634 31.378 29.700 0.074 0.000 1.057 404 E HN 0.233 nan 8.360 nan 0.000 0.432 405 S N 1.448 117.233 115.700 0.140 0.000 2.468 405 S HA 0.189 4.660 4.470 0.001 0.000 0.190 405 S C -0.407 174.279 174.600 0.143 0.000 1.445 405 S CA -0.670 57.643 58.200 0.188 0.000 1.084 405 S CB -0.258 63.011 63.200 0.115 0.000 1.175 405 S HN 0.311 nan 8.310 nan 0.000 0.484 406 R N 1.913 122.486 120.500 0.121 0.000 2.694 406 R HA 0.235 4.576 4.340 0.001 0.000 0.268 406 R C 0.053 176.416 176.300 0.105 0.000 1.061 406 R CA -0.381 55.717 56.100 -0.002 0.000 1.133 406 R CB 0.290 30.422 30.300 -0.279 0.000 1.020 406 R HN 0.508 nan 8.270 nan 0.000 0.475 407 Q N 2.306 122.137 119.800 0.052 0.000 2.256 407 Q HA 0.364 4.705 4.340 0.001 0.000 0.254 407 Q C -0.466 175.537 176.000 0.005 0.000 0.916 407 Q CA -0.183 55.673 55.803 0.089 0.000 0.932 407 Q CB 1.468 30.238 28.738 0.053 0.000 1.207 407 Q HN 0.418 nan 8.270 nan 0.000 0.426 408 L N 1.438 122.657 121.223 -0.005 0.000 2.354 408 L HA 0.529 4.870 4.340 0.001 0.000 0.269 408 L C -0.151 176.544 176.870 -0.292 0.000 1.005 408 L CA -0.929 53.792 54.840 -0.197 0.000 0.819 408 L CB 1.766 43.693 42.059 -0.219 0.000 1.311 408 L HN 0.308 nan 8.230 nan 0.000 0.423 409 K N 2.339 122.462 120.400 -0.463 0.000 2.334 409 K HA 0.529 4.849 4.320 0.001 0.000 0.265 409 K C -1.538 174.732 176.600 -0.549 0.000 1.039 409 K CA -0.112 55.964 56.287 -0.351 0.000 0.920 409 K CB 0.809 33.188 32.500 -0.203 0.000 1.160 409 K HN 0.197 nan 8.250 nan 0.000 0.451 410 F N 1.821 121.759 119.950 -0.020 0.000 2.460 410 F HA 0.384 4.911 4.527 0.000 0.000 0.341 410 F C 1.190 176.980 175.800 -0.016 0.000 1.130 410 F CA -0.526 57.459 58.000 -0.025 0.000 0.962 410 F CB 1.475 40.435 39.000 -0.067 0.000 1.171 410 F HN 0.764 nan 8.300 nan 0.000 0.436 411 G N 3.489 112.388 108.800 0.165 0.000 2.651 411 G HA2 -0.383 3.577 3.960 0.001 0.000 0.315 411 G HA3 -0.383 3.577 3.960 0.001 0.000 0.315 411 G C 0.662 175.598 174.900 0.060 0.000 1.258 411 G CA 0.465 45.624 45.100 0.098 0.000 1.002 411 G HN 0.733 nan 8.290 nan 0.000 0.551 412 R N 0.691 121.222 120.500 0.052 0.000 3.311 412 R HA 0.407 4.747 4.340 0.001 0.000 0.332 412 R C -0.485 175.838 176.300 0.039 0.000 1.317 412 R CA -0.166 55.955 56.100 0.035 0.000 1.192 412 R CB -0.274 30.044 30.300 0.028 0.000 1.454 412 R HN 0.224 nan 8.270 nan 0.000 0.605 413 K N 0.697 121.128 120.400 0.051 0.000 2.553 413 K HA 0.181 4.501 4.320 0.001 0.000 0.250 413 K C -1.281 175.352 176.600 0.056 0.000 0.953 413 K CA -0.528 55.793 56.287 0.057 0.000 0.800 413 K CB 2.170 34.711 32.500 0.069 0.000 1.243 413 K HN 0.202 nan 8.250 nan 0.000 0.435 414 T N 0.667 115.248 114.554 0.046 0.000 2.788 414 T HA 0.657 5.008 4.350 0.001 0.000 0.296 414 T C 0.085 174.834 174.700 0.081 0.000 1.009 414 T CA -0.673 61.450 62.100 0.039 0.000 0.949 414 T CB 0.463 69.348 68.868 0.029 0.000 0.946 414 T HN 0.302 nan 8.240 nan 0.000 0.453 415 I N 2.749 123.374 120.570 0.091 0.000 3.108 415 I HA 0.747 4.917 4.170 0.001 0.000 0.312 415 I C -0.964 175.250 176.117 0.161 0.000 1.095 415 I CA -1.904 59.455 61.300 0.097 0.000 1.000 415 I CB 2.137 40.166 38.000 0.048 0.000 1.229 415 I HN 0.761 nan 8.210 nan 0.000 0.454 416 F N 1.894 121.939 119.950 0.158 0.000 2.458 416 F HA 0.894 5.421 4.527 0.001 0.000 0.330 416 F C -0.193 175.755 175.800 0.246 0.000 1.082 416 F CA -0.768 57.325 58.000 0.155 0.000 0.995 416 F CB 1.504 40.572 39.000 0.114 0.000 1.170 416 F HN 0.363 nan 8.300 nan 0.000 0.478 417 S N 0.164 116.124 115.700 0.434 0.000 2.567 417 S HA 0.459 4.930 4.470 0.001 0.000 0.270 417 S C -0.026 174.817 174.600 0.405 0.000 1.152 417 S CA 0.013 58.435 58.200 0.370 0.000 0.835 417 S CB 1.364 64.700 63.200 0.227 0.000 1.115 417 S HN 1.212 nan 8.310 nan 0.000 0.459 418 T N -0.066 114.627 114.554 0.232 0.000 3.010 418 T HA 0.335 4.685 4.350 0.001 0.000 0.257 418 T C -0.051 174.461 174.700 -0.312 0.000 1.020 418 T CA -0.248 61.907 62.100 0.092 0.000 0.938 418 T CB -0.112 68.827 68.868 0.118 0.000 1.049 418 T HN 0.437 nan 8.240 nan 0.000 0.522 419 K N 2.545 122.818 120.400 -0.212 0.000 2.472 419 K HA 0.191 4.512 4.320 0.001 0.000 0.280 419 K C 0.926 177.308 176.600 -0.364 0.000 1.028 419 K CA 0.069 56.228 56.287 -0.214 0.000 1.045 419 K CB 0.982 33.444 32.500 -0.064 0.000 0.902 419 K HN 0.334 nan 8.250 nan 0.000 0.478 420 K N 2.030 122.303 120.400 -0.211 0.000 2.044 420 K HA -0.227 4.093 4.320 0.001 0.000 0.210 420 K C 1.608 178.151 176.600 -0.096 0.000 1.049 420 K CA 1.949 58.182 56.287 -0.091 0.000 0.927 420 K CB -0.049 32.439 32.500 -0.020 0.000 0.713 420 K HN 0.642 nan 8.250 nan 0.000 0.443 421 N N 1.071 119.709 118.700 -0.105 0.000 2.149 421 N HA -0.208 4.532 4.740 0.001 0.000 0.188 421 N C 1.537 176.965 175.510 -0.136 0.000 1.019 421 N CA 1.643 54.610 53.050 -0.137 0.000 0.857 421 N CB -0.348 38.098 38.487 -0.067 0.000 0.997 421 N HN 0.188 nan 8.380 nan 0.000 0.426 422 M N 0.386 119.963 119.600 -0.037 0.000 2.200 422 M HA -0.035 4.446 4.480 0.001 0.000 0.265 422 M C 1.714 178.173 176.300 0.265 0.000 1.066 422 M CA 1.183 56.562 55.300 0.131 0.000 1.127 422 M CB -0.928 31.761 32.600 0.149 0.000 1.379 422 M HN 0.380 nan 8.290 nan 0.000 0.420 423 H N -0.739 118.371 119.070 0.068 0.000 2.448 423 H HA 0.014 4.570 4.556 0.000 0.000 0.292 423 H C 2.260 177.639 175.328 0.086 0.000 1.035 423 H CA 0.526 56.649 56.048 0.126 0.000 1.349 423 H CB 0.443 30.348 29.762 0.238 0.000 1.425 423 H HN 0.113 nan 8.280 nan 0.000 0.539 424 V N 1.079 120.979 119.914 -0.022 0.000 2.307 424 V HA -0.277 3.843 4.120 0.001 0.000 0.245 424 V C 2.373 178.342 176.094 -0.208 0.000 1.045 424 V CA 1.501 63.631 62.300 -0.284 0.000 1.024 424 V CB -0.452 31.054 31.823 -0.528 0.000 0.651 424 V HN 0.349 nan 8.190 nan 0.000 0.449 425 M N 0.338 119.759 119.600 -0.298 0.000 2.315 425 M HA -0.250 4.230 4.480 0.001 0.000 0.264 425 M C 2.227 178.519 176.300 -0.015 0.000 1.075 425 M CA 2.668 57.841 55.300 -0.211 0.000 1.093 425 M CB -0.832 31.711 32.600 -0.096 0.000 1.251 425 M HN 0.377 nan 8.290 nan 0.000 0.449 426 D N 0.284 120.702 120.400 0.030 0.000 2.191 426 D HA -0.256 4.384 4.640 0.001 0.000 0.190 426 D C 1.412 177.723 176.300 0.019 0.000 1.007 426 D CA 2.188 56.170 54.000 -0.031 0.000 0.865 426 D CB -0.114 40.638 40.800 -0.080 0.000 0.929 426 D HN 0.310 nan 8.370 nan 0.000 0.447 427 D N -0.778 119.674 120.400 0.086 0.000 2.123 427 D HA -0.162 4.479 4.640 0.001 0.000 0.196 427 D C 2.201 178.602 176.300 0.169 0.000 0.992 427 D CA 0.851 54.945 54.000 0.155 0.000 0.833 427 D CB -0.277 40.709 40.800 0.310 0.000 0.954 427 D HN 0.442 nan 8.370 nan 0.000 0.455 428 M N 0.325 120.004 119.600 0.132 0.000 2.099 428 M HA -0.064 4.416 4.480 0.001 0.000 0.262 428 M C 2.037 178.385 176.300 0.081 0.000 1.067 428 M CA 1.124 56.492 55.300 0.113 0.000 1.124 428 M CB -0.187 32.403 32.600 -0.017 0.000 1.353 428 M HN -0.079 nan 8.290 nan 0.000 0.410 429 A N 0.312 123.164 122.820 0.053 0.000 2.277 429 A HA -0.083 4.238 4.320 0.001 0.000 0.208 429 A C 0.303 177.904 177.584 0.029 0.000 1.202 429 A CA 1.152 53.212 52.037 0.038 0.000 0.762 429 A CB -0.807 18.209 19.000 0.026 0.000 0.770 429 A HN 0.593 nan 8.150 nan 0.000 0.487 430 N N -1.205 117.521 118.700 0.044 0.000 2.545 430 N HA 0.257 4.998 4.740 0.001 0.000 0.283 430 N C -0.085 175.454 175.510 0.049 0.000 1.596 430 N CA 0.020 53.090 53.050 0.033 0.000 0.862 430 N CB 0.623 39.118 38.487 0.014 0.000 1.422 430 N HN 0.199 nan 8.380 nan 0.000 0.489 431 E N -0.113 120.129 120.200 0.069 0.000 3.208 431 E HA -0.304 4.047 4.350 0.001 0.000 0.277 431 E C 0.871 177.520 176.600 0.081 0.000 0.989 431 E CA 1.001 57.446 56.400 0.075 0.000 0.850 431 E CB -0.554 29.173 29.700 0.044 0.000 1.429 431 E HN 0.435 nan 8.360 nan 0.000 0.463 432 R N -1.062 119.497 120.500 0.098 0.000 2.246 432 R HA 0.006 4.346 4.340 0.001 0.000 0.199 432 R C 0.476 176.862 176.300 0.143 0.000 0.984 432 R CA 0.442 56.595 56.100 0.089 0.000 1.015 432 R CB 0.097 30.440 30.300 0.071 0.000 0.930 432 R HN 0.222 nan 8.270 nan 0.000 0.475 433 Y N 2.791 123.147 120.300 0.094 0.000 2.754 433 Y HA -0.064 4.486 4.550 0.000 0.000 0.349 433 Y C -0.259 175.709 175.900 0.114 0.000 1.179 433 Y CA -0.050 58.138 58.100 0.147 0.000 1.538 433 Y CB 0.215 38.753 38.460 0.130 0.000 1.200 433 Y HN -0.116 nan 8.280 nan 0.000 0.522 434 T N 6.116 120.457 114.554 -0.353 0.000 3.198 434 T HA 0.270 4.620 4.350 0.001 0.000 0.352 434 T C -2.213 172.275 174.700 -0.353 0.000 1.197 434 T CA -1.555 60.339 62.100 -0.342 0.000 1.427 434 T CB 1.306 70.086 68.868 -0.147 0.000 0.983 434 T HN 0.478 nan 8.240 nan 0.000 0.560 435 P HA 0.105 nan 4.420 nan 0.000 0.237 435 P C 1.597 178.801 177.300 -0.159 0.000 1.178 435 P CA 0.331 63.284 63.100 -0.244 0.000 0.766 435 P CB -0.211 31.380 31.700 -0.183 0.000 0.876 436 G N 0.063 108.770 108.800 -0.155 0.000 2.484 436 G HA2 -0.031 3.929 3.960 0.001 0.000 0.218 436 G HA3 -0.031 3.929 3.960 0.001 0.000 0.218 436 G C 0.534 175.369 174.900 -0.109 0.000 1.130 436 G CA 0.206 45.245 45.100 -0.103 0.000 0.784 436 G HN 0.203 nan 8.290 nan 0.000 0.543 437 I N 1.211 121.701 120.570 -0.133 0.000 2.328 437 I HA 0.323 4.493 4.170 0.001 0.000 0.287 437 I C -0.318 175.694 176.117 -0.176 0.000 1.012 437 I CA -0.912 60.310 61.300 -0.131 0.000 1.195 437 I CB 1.847 39.780 38.000 -0.111 0.000 1.350 437 I HN -0.088 nan 8.210 nan 0.000 0.464 438 I N 9.045 129.496 120.570 -0.199 0.000 2.278 438 I HA 0.222 4.392 4.170 0.001 0.000 0.296 438 I C -1.875 174.093 176.117 -0.248 0.000 1.121 438 I CA -1.618 59.492 61.300 -0.316 0.000 1.267 438 I CB 0.144 37.916 38.000 -0.381 0.000 1.447 438 I HN 0.293 nan 8.210 nan 0.000 0.509 439 P HA -0.085 nan 4.420 nan 0.000 0.267 439 P C -2.429 174.882 177.300 0.019 0.000 1.175 439 P CA -0.329 62.730 63.100 -0.068 0.000 0.763 439 P CB -0.171 31.515 31.700 -0.023 0.000 0.795 440 P HA 0.127 nan 4.420 nan 0.000 0.278 440 P C -0.234 177.100 177.300 0.056 0.000 1.258 440 P CA -0.167 62.956 63.100 0.039 0.000 0.811 440 P CB 0.621 32.318 31.700 -0.005 0.000 1.063 441 V N -2.735 117.204 119.914 0.042 0.000 3.017 441 V HA 0.300 4.420 4.120 0.001 0.000 0.354 441 V C 0.099 176.195 176.094 0.004 0.000 1.389 441 V CA -0.425 61.859 62.300 -0.027 0.000 1.163 441 V CB -0.990 30.747 31.823 -0.143 0.000 1.178 441 V HN 0.469 nan 8.190 nan 0.000 0.547 442 N N 0.060 118.774 118.700 0.023 0.000 2.547 442 N HA 0.249 4.989 4.740 0.001 0.000 0.301 442 N C 1.259 176.660 175.510 -0.182 0.000 1.328 442 N CA 0.137 53.222 53.050 0.060 0.000 0.932 442 N CB 0.427 38.906 38.487 -0.013 0.000 1.104 442 N HN -0.012 nan 8.380 nan 0.000 0.548 443 V N -0.373 119.053 119.914 -0.813 0.000 2.546 443 V HA -0.219 3.901 4.120 0.001 0.000 0.254 443 V C 0.794 176.674 176.094 -0.356 0.000 1.076 443 V CA 2.226 63.959 62.300 -0.945 0.000 1.087 443 V CB -0.862 30.280 31.823 -1.135 0.000 0.674 443 V HN 0.525 nan 8.190 nan 0.000 0.470 444 D N -0.471 119.781 120.400 -0.246 0.000 2.249 444 D HA 0.017 4.657 4.640 0.001 0.000 0.205 444 D C 1.344 177.588 176.300 -0.094 0.000 0.962 444 D CA 0.812 54.728 54.000 -0.141 0.000 0.860 444 D CB 0.205 40.938 40.800 -0.111 0.000 0.955 444 D HN 0.448 nan 8.370 nan 0.000 0.505 445 K N 0.802 121.153 120.400 -0.082 0.000 3.098 445 K HA 0.251 4.571 4.320 0.001 0.000 0.170 445 K C -2.886 173.687 176.600 -0.045 0.000 1.106 445 K CA -1.611 54.645 56.287 -0.052 0.000 0.864 445 K CB 1.711 34.188 32.500 -0.038 0.000 1.047 445 K HN -0.206 nan 8.250 nan 0.000 0.609 446 P HA -0.043 nan 4.420 nan 0.000 0.266 446 P C -0.362 176.898 177.300 -0.066 0.000 1.193 446 P CA 0.213 63.305 63.100 -0.014 0.000 0.770 446 P CB 0.573 32.284 31.700 0.018 0.000 0.836 447 I N 4.854 125.343 120.570 -0.134 0.000 2.396 447 I HA 0.149 4.320 4.170 0.001 0.000 0.289 447 I C -1.950 174.109 176.117 -0.096 0.000 1.056 447 I CA -2.192 58.993 61.300 -0.191 0.000 1.365 447 I CB 0.660 38.385 38.000 -0.459 0.000 1.407 447 I HN 0.170 nan 8.210 nan 0.000 0.509 448 P HA 0.135 nan 4.420 nan 0.000 0.271 448 P C -0.716 176.583 177.300 -0.001 0.000 1.216 448 P CA -0.328 62.762 63.100 -0.017 0.000 0.771 448 P CB 0.603 32.303 31.700 0.000 0.000 0.864 449 L N 2.621 123.844 121.223 -0.000 0.000 2.375 449 L HA 0.769 5.110 4.340 0.001 0.000 0.268 449 L C 0.987 177.856 176.870 -0.001 0.000 1.058 449 L CA 0.127 54.972 54.840 0.008 0.000 0.803 449 L CB 0.881 42.931 42.059 -0.015 0.000 1.212 449 L HN 0.522 nan 8.230 nan 0.000 0.451 450 G N 0.899 109.694 108.800 -0.009 0.000 2.658 450 G HA2 0.795 4.755 3.960 0.001 0.000 0.292 450 G HA3 0.795 4.755 3.960 0.001 0.000 0.292 450 G C -1.435 173.443 174.900 -0.037 0.000 1.320 450 G CA -0.732 44.356 45.100 -0.019 0.000 0.933 450 G HN 0.648 nan 8.290 nan 0.000 0.476 451 R N -1.164 119.314 120.500 -0.037 0.000 2.888 451 R HA 0.863 5.204 4.340 0.001 0.000 0.266 451 R C -1.223 175.051 176.300 -0.044 0.000 1.020 451 R CA -1.212 54.863 56.100 -0.041 0.000 0.963 451 R CB 2.028 32.309 30.300 -0.031 0.000 1.197 451 R HN 0.418 nan 8.270 nan 0.000 0.481 452 R N 1.206 121.682 120.500 -0.040 0.000 2.468 452 R HA 0.289 4.629 4.340 0.001 0.000 0.302 452 R C -1.712 174.573 176.300 -0.025 0.000 1.041 452 R CA -0.353 55.725 56.100 -0.037 0.000 0.899 452 R CB 1.073 31.355 30.300 -0.031 0.000 1.167 452 R HN 0.746 nan 8.270 nan 0.000 0.483 453 D N 3.373 123.744 120.400 -0.049 0.000 2.256 453 D HA 0.355 4.995 4.640 0.001 0.000 0.240 453 D C -0.975 175.379 176.300 0.090 0.000 1.062 453 D CA -0.307 53.679 54.000 -0.024 0.000 0.832 453 D CB 2.508 43.228 40.800 -0.132 0.000 1.135 453 D HN 0.248 nan 8.370 nan 0.000 0.484 454 V N 2.966 122.992 119.914 0.187 0.000 2.925 454 V HA 0.417 4.537 4.120 0.001 0.000 0.311 454 V C -2.760 173.330 176.094 -0.005 0.000 1.104 454 V CA -2.369 60.055 62.300 0.208 0.000 0.954 454 V CB 2.817 34.673 31.823 0.055 0.000 1.022 454 V HN 0.241 nan 8.190 nan 0.000 0.427 455 P HA 0.477 nan 4.420 nan 0.000 0.271 455 P C 0.595 177.325 177.300 -0.950 0.000 1.226 455 P CA 1.491 64.122 63.100 -0.781 0.000 0.765 455 P CB 1.035 32.026 31.700 -1.182 0.000 0.835 456 G N 3.502 111.968 108.800 -0.557 0.000 3.642 456 G HA2 -0.198 3.763 3.960 0.001 0.000 0.205 456 G HA3 -0.198 3.763 3.960 0.001 0.000 0.205 456 G C 0.151 174.942 174.900 -0.182 0.000 1.526 456 G CA -0.551 44.313 45.100 -0.393 0.000 1.097 456 G HN 0.534 nan 8.290 nan 0.000 0.596 457 R N 1.624 122.042 120.500 -0.136 0.000 2.577 457 R HA 0.559 4.900 4.340 0.001 0.000 0.269 457 R C 0.964 177.241 176.300 -0.039 0.000 1.084 457 R CA -0.192 55.875 56.100 -0.055 0.000 1.163 457 R CB 0.447 30.737 30.300 -0.018 0.000 1.100 457 R HN 0.727 nan 8.270 nan 0.000 0.547 458 R N 0.025 120.515 120.500 -0.016 0.000 2.582 458 R HA 0.162 4.502 4.340 0.001 0.000 0.271 458 R C -0.438 175.870 176.300 0.014 0.000 1.078 458 R CA -0.512 55.589 56.100 0.001 0.000 1.127 458 R CB 0.251 30.554 30.300 0.006 0.000 1.038 458 R HN 0.325 nan 8.270 nan 0.000 0.500 459 T N 1.925 116.497 114.554 0.030 0.000 2.939 459 T HA 0.022 4.373 4.350 0.001 0.000 0.319 459 T C 0.112 174.821 174.700 0.016 0.000 1.082 459 T CA 0.313 62.429 62.100 0.028 0.000 1.133 459 T CB 0.180 69.074 68.868 0.044 0.000 1.019 459 T HN 0.452 nan 8.240 nan 0.000 0.548 460 R N 1.184 121.683 120.500 -0.001 0.000 2.750 460 R HA 0.591 4.931 4.340 0.001 0.000 0.281 460 R C 0.028 176.303 176.300 -0.043 0.000 0.972 460 R CA -0.880 55.210 56.100 -0.016 0.000 0.912 460 R CB 1.467 31.751 30.300 -0.027 0.000 1.187 460 R HN 0.670 nan 8.270 nan 0.000 0.464 461 I N -0.791 119.739 120.570 -0.067 0.000 2.834 461 I HA 0.553 4.723 4.170 0.001 0.000 0.305 461 I C -0.429 175.571 176.117 -0.195 0.000 1.008 461 I CA -0.548 60.681 61.300 -0.118 0.000 1.273 461 I CB 0.897 38.804 38.000 -0.155 0.000 1.432 461 I HN 0.423 nan 8.210 nan 0.000 0.557 462 I N 3.122 123.591 120.570 -0.167 0.000 2.571 462 I HA 0.297 4.468 4.170 0.001 0.000 0.289 462 I C -1.066 175.026 176.117 -0.041 0.000 1.115 462 I CA -0.478 60.715 61.300 -0.178 0.000 1.045 462 I CB 2.001 39.946 38.000 -0.091 0.000 1.238 462 I HN 0.387 nan 8.210 nan 0.000 0.424 463 F N 6.254 126.131 119.950 -0.122 0.000 2.506 463 F HA 0.249 4.777 4.527 0.000 0.000 0.371 463 F C 0.824 176.567 175.800 -0.095 0.000 1.078 463 F CA -0.524 57.396 58.000 -0.133 0.000 1.195 463 F CB 0.187 39.097 39.000 -0.150 0.000 1.099 463 F HN 0.225 nan 8.300 nan 0.000 0.548 464 I N 5.951 126.586 120.570 0.109 0.000 2.234 464 I HA 0.114 4.284 4.170 0.001 0.000 0.287 464 I C 0.047 176.176 176.117 0.019 0.000 1.131 464 I CA -0.195 61.136 61.300 0.052 0.000 1.335 464 I CB -0.364 37.656 38.000 0.034 0.000 1.511 464 I HN 0.352 nan 8.210 nan 0.000 0.588 465 L N 4.660 125.879 121.223 -0.006 0.000 2.482 465 L HA 0.171 4.511 4.340 0.001 0.000 0.273 465 L C -2.005 174.899 176.870 0.057 0.000 1.228 465 L CA -1.520 53.260 54.840 -0.099 0.000 0.827 465 L CB -0.395 41.487 42.059 -0.296 0.000 1.099 465 L HN 0.157 nan 8.230 nan 0.000 0.494 466 P HA -0.046 nan 4.420 nan 0.000 0.272 466 P C -0.084 177.364 177.300 0.246 0.000 1.223 466 P CA -0.210 62.984 63.100 0.157 0.000 0.784 466 P CB 0.269 32.039 31.700 0.116 0.000 0.923 467 Y N 0.924 121.361 120.300 0.229 0.000 2.384 467 Y HA -0.187 4.363 4.550 0.001 0.000 0.289 467 Y C 1.433 177.493 175.900 0.267 0.000 1.152 467 Y CA 1.342 59.591 58.100 0.249 0.000 1.258 467 Y CB -1.505 37.084 38.460 0.216 0.000 0.979 467 Y HN 0.291 nan 8.280 nan 0.000 0.549 468 E N -0.219 120.021 120.200 0.068 0.000 2.204 468 E HA -0.154 4.197 4.350 0.001 0.000 0.195 468 E C 1.461 178.078 176.600 0.028 0.000 0.990 468 E CA 1.489 57.904 56.400 0.026 0.000 0.821 468 E CB -0.476 29.065 29.700 -0.265 0.000 0.750 468 E HN 0.701 nan 8.360 nan 0.000 0.477 469 Y N -1.393 118.978 120.300 0.118 0.000 2.337 469 Y HA -0.089 4.461 4.550 0.001 0.000 0.293 469 Y C 1.836 177.852 175.900 0.195 0.000 1.123 469 Y CA 0.821 58.984 58.100 0.106 0.000 1.201 469 Y CB -0.119 38.391 38.460 0.083 0.000 1.011 469 Y HN 0.100 nan 8.280 nan 0.000 0.545 470 F N 0.510 120.625 119.950 0.274 0.000 2.060 470 F HA -0.197 4.330 4.527 0.001 0.000 0.295 470 F C 2.069 178.003 175.800 0.224 0.000 1.120 470 F CA 1.346 59.483 58.000 0.229 0.000 1.205 470 F CB -0.899 38.224 39.000 0.205 0.000 0.986 470 F HN -0.084 nan 8.300 nan 0.000 0.470 471 I N 0.728 121.381 120.570 0.138 0.000 2.145 471 I HA -0.385 3.786 4.170 0.001 0.000 0.244 471 I C 2.562 178.691 176.117 0.021 0.000 1.075 471 I CA 1.589 62.901 61.300 0.020 0.000 1.332 471 I CB -1.074 37.051 38.000 0.208 0.000 1.033 471 I HN 0.285 nan 8.210 nan 0.000 0.410 472 A N -0.602 122.251 122.820 0.054 0.000 2.121 472 A HA -0.167 4.153 4.320 0.001 0.000 0.218 472 A C 2.169 179.835 177.584 0.136 0.000 1.154 472 A CA 1.323 53.389 52.037 0.049 0.000 0.679 472 A CB -0.264 18.713 19.000 -0.039 0.000 0.795 472 A HN 0.558 nan 8.150 nan 0.000 0.458 473 Q N -2.731 117.139 119.800 0.116 0.000 2.431 473 Q HA 0.027 4.367 4.340 0.001 0.000 0.244 473 Q C 1.704 177.793 176.000 0.148 0.000 0.880 473 Q CA 0.439 56.404 55.803 0.271 0.000 0.954 473 Q CB -0.071 28.784 28.738 0.195 0.000 1.105 473 Q HN 0.834 nan 8.270 nan 0.000 0.558 474 H N 1.847 120.790 119.070 -0.211 0.000 2.260 474 H HA -0.252 4.304 4.556 0.001 0.000 0.288 474 H C 1.821 177.066 175.328 -0.139 0.000 1.094 474 H CA 2.729 58.585 56.048 -0.319 0.000 1.197 474 H CB -0.209 29.149 29.762 -0.673 0.000 1.346 474 H HN 0.263 nan 8.280 nan 0.000 0.486 475 A N -0.207 122.432 122.820 -0.300 0.000 1.877 475 A HA -0.125 4.196 4.320 0.001 0.000 0.216 475 A C 2.862 180.290 177.584 -0.260 0.000 1.186 475 A CA 2.041 53.878 52.037 -0.333 0.000 0.620 475 A CB -0.964 17.929 19.000 -0.178 0.000 0.822 475 A HN 0.361 nan 8.150 nan 0.000 0.443 476 V N -0.425 119.368 119.914 -0.201 0.000 2.515 476 V HA -0.200 3.920 4.120 0.001 0.000 0.250 476 V C 2.535 178.472 176.094 -0.262 0.000 1.058 476 V CA 1.747 63.873 62.300 -0.289 0.000 1.064 476 V CB -0.639 30.859 31.823 -0.542 0.000 0.675 476 V HN 0.370 nan 8.190 nan 0.000 0.461 477 V N -0.232 119.587 119.914 -0.158 0.000 2.261 477 V HA -0.197 3.924 4.120 0.001 0.000 0.246 477 V C 2.607 178.598 176.094 -0.172 0.000 1.047 477 V CA 1.839 64.077 62.300 -0.103 0.000 1.015 477 V CB -0.593 31.242 31.823 0.021 0.000 0.642 477 V HN 0.524 nan 8.190 nan 0.000 0.446 478 E N -0.052 120.019 120.200 -0.215 0.000 2.160 478 E HA -0.210 4.140 4.350 0.001 0.000 0.195 478 E C 2.190 178.674 176.600 -0.194 0.000 0.991 478 E CA 0.893 57.163 56.400 -0.216 0.000 0.810 478 E CB -0.265 29.257 29.700 -0.296 0.000 0.742 478 E HN 0.428 nan 8.360 nan 0.000 0.466 479 K N -0.041 120.238 120.400 -0.200 0.000 2.217 479 K HA 0.064 4.384 4.320 0.001 0.000 0.202 479 K C 2.078 178.581 176.600 -0.161 0.000 1.051 479 K CA 0.577 56.764 56.287 -0.166 0.000 0.952 479 K CB -0.097 32.300 32.500 -0.171 0.000 0.736 479 K HN 0.242 nan 8.250 nan 0.000 0.453 480 M N -0.007 119.470 119.600 -0.205 0.000 2.216 480 M HA -0.015 4.465 4.480 0.001 0.000 0.264 480 M C 2.126 178.256 176.300 -0.283 0.000 1.080 480 M CA 1.055 56.216 55.300 -0.231 0.000 1.153 480 M CB -0.315 32.134 32.600 -0.251 0.000 1.356 480 M HN -0.045 nan 8.290 nan 0.000 0.432 481 L N 0.362 121.389 121.223 -0.327 0.000 2.127 481 L HA -0.223 4.117 4.340 0.001 0.000 0.211 481 L C 2.340 179.027 176.870 -0.305 0.000 1.089 481 L CA 1.205 55.783 54.840 -0.436 0.000 0.757 481 L CB -0.575 41.267 42.059 -0.361 0.000 0.899 481 L HN 0.328 nan 8.230 nan 0.000 0.434 482 I N -1.571 118.872 120.570 -0.211 0.000 2.233 482 I HA -0.336 3.834 4.170 0.001 0.000 0.243 482 I C 2.469 178.392 176.117 -0.323 0.000 1.093 482 I CA 1.290 62.485 61.300 -0.175 0.000 1.380 482 I CB -0.276 37.669 38.000 -0.092 0.000 1.067 482 I HN 0.156 nan 8.210 nan 0.000 0.413 483 Y N 1.517 121.568 120.300 -0.416 0.000 2.256 483 Y HA -0.310 4.240 4.550 0.001 0.000 0.288 483 Y C 2.430 177.969 175.900 -0.601 0.000 1.155 483 Y CA 1.504 59.261 58.100 -0.571 0.000 1.203 483 Y CB -0.138 38.141 38.460 -0.301 0.000 0.980 483 Y HN 0.149 nan 8.280 nan 0.000 0.530 484 A N 0.074 122.702 122.820 -0.320 0.000 1.897 484 A HA -0.174 4.146 4.320 0.001 0.000 0.215 484 A C 2.104 179.657 177.584 -0.051 0.000 1.181 484 A CA 1.667 53.542 52.037 -0.271 0.000 0.620 484 A CB -0.665 18.048 19.000 -0.478 0.000 0.821 484 A HN 0.381 nan 8.150 nan 0.000 0.443 485 K N 0.412 120.736 120.400 -0.126 0.000 2.189 485 K HA -0.233 4.088 4.320 0.001 0.000 0.207 485 K C 1.152 177.768 176.600 0.026 0.000 1.046 485 K CA 2.200 58.471 56.287 -0.026 0.000 0.928 485 K CB -0.415 32.042 32.500 -0.072 0.000 0.720 485 K HN 0.882 nan 8.250 nan 0.000 0.458 486 H N -3.274 115.832 119.070 0.061 0.000 2.512 486 H HA 0.387 4.944 4.556 0.001 0.000 0.276 486 H C -0.939 174.516 175.328 0.212 0.000 1.126 486 H CA -0.629 55.511 56.048 0.152 0.000 1.060 486 H CB -0.315 29.445 29.762 -0.003 0.000 1.646 486 H HN -0.178 nan 8.280 nan 0.000 0.571 487 T N 1.426 116.161 114.554 0.300 0.000 2.791 487 T HA 0.262 4.613 4.350 0.001 0.000 0.288 487 T C 0.986 175.826 174.700 0.233 0.000 0.999 487 T CA -0.782 61.454 62.100 0.226 0.000 0.952 487 T CB 1.488 70.504 68.868 0.247 0.000 0.938 487 T HN 0.387 nan 8.240 nan 0.000 0.444 488 R N 1.614 122.044 120.500 -0.118 0.000 2.120 488 R HA -0.099 4.242 4.340 0.001 0.000 0.234 488 R C 1.509 177.757 176.300 -0.086 0.000 1.123 488 R CA 1.090 56.962 56.100 -0.381 0.000 0.975 488 R CB 0.024 30.015 30.300 -0.516 0.000 0.866 488 R HN 0.513 nan 8.270 nan 0.000 0.446 489 E N 0.115 120.301 120.200 -0.022 0.000 2.209 489 E HA -0.154 4.196 4.350 0.001 0.000 0.196 489 E C -0.074 176.404 176.600 -0.203 0.000 0.993 489 E CA 1.049 57.371 56.400 -0.130 0.000 0.819 489 E CB -0.146 29.436 29.700 -0.195 0.000 0.745 489 E HN 0.357 nan 8.360 nan 0.000 0.477 490 Y N -0.035 120.337 120.300 0.121 0.000 2.736 490 Y HA 0.322 4.872 4.550 0.000 0.000 0.339 490 Y C 1.371 177.358 175.900 0.144 0.000 1.301 490 Y CA -0.224 57.994 58.100 0.196 0.000 1.676 490 Y CB -0.211 38.485 38.460 0.393 0.000 1.725 490 Y HN -0.025 nan 8.280 nan 0.000 0.466 491 A N 1.033 123.919 122.820 0.110 0.000 1.894 491 A HA -0.348 3.973 4.320 0.001 0.000 0.220 491 A C 2.215 179.830 177.584 0.051 0.000 1.237 491 A CA 2.415 54.507 52.037 0.092 0.000 0.660 491 A CB -0.456 18.575 19.000 0.053 0.000 0.835 491 A HN 0.712 nan 8.150 nan 0.000 0.461 492 E N -1.906 118.217 120.200 -0.128 0.000 2.267 492 E HA -0.178 4.172 4.350 0.001 0.000 0.197 492 E C 1.160 177.493 176.600 -0.445 0.000 0.998 492 E CA 1.332 57.505 56.400 -0.379 0.000 0.830 492 E CB -0.089 29.195 29.700 -0.692 0.000 0.751 492 E HN 0.718 nan 8.360 nan 0.000 0.491 493 F N -1.538 118.518 119.950 0.176 0.000 2.712 493 F HA 0.120 4.648 4.527 0.001 0.000 0.297 493 F C 0.470 176.348 175.800 0.129 0.000 1.114 493 F CA -0.569 57.506 58.000 0.126 0.000 1.305 493 F CB -0.321 38.735 39.000 0.094 0.000 1.086 493 F HN -0.083 nan 8.300 nan 0.000 0.599 494 Y N 2.732 123.166 120.300 0.225 0.000 2.804 494 Y HA 0.202 4.753 4.550 0.000 0.000 0.338 494 Y C 1.144 177.113 175.900 0.115 0.000 1.252 494 Y CA 0.599 58.794 58.100 0.158 0.000 1.576 494 Y CB -0.444 38.101 38.460 0.142 0.000 1.223 494 Y HN 0.208 nan 8.280 nan 0.000 0.536 495 S N 3.407 118.746 115.700 -0.602 0.000 3.109 495 S HA -0.341 4.129 4.470 0.001 0.000 0.632 495 S C 0.411 174.909 174.600 -0.170 0.000 2.927 495 S CA 1.374 59.282 58.200 -0.487 0.000 3.233 495 S CB -0.644 62.097 63.200 -0.765 0.000 0.325 495 S HN 0.864 nan 8.310 nan 0.000 1.720 496 Q N 1.112 120.845 119.800 -0.112 0.000 2.412 496 Q HA 0.275 4.616 4.340 0.001 0.000 0.298 496 Q C 0.167 176.187 176.000 0.034 0.000 0.938 496 Q CA 0.276 56.067 55.803 -0.019 0.000 0.968 496 Q CB 0.198 28.934 28.738 -0.003 0.000 1.187 496 Q HN 0.619 nan 8.270 nan 0.000 0.421 497 S N 0.555 116.270 115.700 0.026 0.000 2.565 497 S HA 0.308 4.778 4.470 0.001 0.000 0.274 497 S C 0.099 174.724 174.600 0.041 0.000 1.309 497 S CA -0.848 57.395 58.200 0.072 0.000 1.043 497 S CB 0.919 64.199 63.200 0.134 0.000 0.939 497 S HN 0.407 nan 8.310 nan 0.000 0.504 498 N N 1.804 120.520 118.700 0.027 0.000 2.643 498 N HA 0.247 4.987 4.740 0.001 0.000 0.305 498 N C 0.533 176.060 175.510 0.028 0.000 1.283 498 N CA -0.901 52.140 53.050 -0.015 0.000 0.946 498 N CB -0.075 38.374 38.487 -0.064 0.000 1.149 498 N HN 0.705 nan 8.380 nan 0.000 0.600 499 Q N -0.847 118.964 119.800 0.018 0.000 2.369 499 Q HA 0.156 4.497 4.340 0.001 0.000 0.206 499 Q C 1.508 177.634 176.000 0.210 0.000 0.963 499 Q CA 0.514 56.391 55.803 0.124 0.000 0.894 499 Q CB -0.221 28.598 28.738 0.134 0.000 0.965 499 Q HN 0.515 nan 8.270 nan 0.000 0.475 500 L N 0.228 121.549 121.223 0.164 0.000 2.191 500 L HA -0.200 4.140 4.340 0.001 0.000 0.212 500 L C 2.270 179.220 176.870 0.133 0.000 1.103 500 L CA 0.563 55.510 54.840 0.178 0.000 0.769 500 L CB -0.400 41.700 42.059 0.069 0.000 0.908 500 L HN 0.273 nan 8.230 nan 0.000 0.438 501 L N -0.378 120.900 121.223 0.090 0.000 2.005 501 L HA -0.167 4.173 4.340 0.001 0.000 0.207 501 L C 2.632 179.547 176.870 0.075 0.000 1.072 501 L CA 1.782 56.662 54.840 0.066 0.000 0.744 501 L CB -0.408 41.713 42.059 0.104 0.000 0.895 501 L HN 0.060 nan 8.230 nan 0.000 0.433 502 S N -1.258 114.520 115.700 0.131 0.000 2.419 502 S HA -0.241 4.230 4.470 0.001 0.000 0.235 502 S C 1.799 176.482 174.600 0.138 0.000 1.019 502 S CA 1.384 59.676 58.200 0.153 0.000 0.982 502 S CB -0.727 62.597 63.200 0.207 0.000 0.789 502 S HN 0.642 nan 8.310 nan 0.000 0.490 503 Y N 2.521 122.824 120.300 0.006 0.000 2.145 503 Y HA -0.015 4.535 4.550 0.001 0.000 0.286 503 Y C 2.306 178.163 175.900 -0.071 0.000 1.145 503 Y CA 1.177 59.247 58.100 -0.050 0.000 1.148 503 Y CB -1.114 37.313 38.460 -0.053 0.000 0.981 503 Y HN 0.154 nan 8.280 nan 0.000 0.507 504 G N -0.434 108.155 108.800 -0.353 0.000 2.430 504 G HA2 -0.191 3.769 3.960 0.001 0.000 0.216 504 G HA3 -0.191 3.769 3.960 0.001 0.000 0.216 504 G C 1.277 175.999 174.900 -0.296 0.000 1.146 504 G CA 0.826 45.644 45.100 -0.469 0.000 0.793 504 G HN 0.372 nan 8.290 nan 0.000 0.537 505 D N 0.170 120.471 120.400 -0.165 0.000 2.218 505 D HA -0.075 4.565 4.640 0.001 0.000 0.204 505 D C 2.666 178.888 176.300 -0.130 0.000 0.976 505 D CA 0.478 54.394 54.000 -0.141 0.000 0.853 505 D CB 0.054 40.843 40.800 -0.020 0.000 0.939 505 D HN 0.240 nan 8.370 nan 0.000 0.481 506 V N 0.705 120.560 119.914 -0.099 0.000 2.256 506 V HA -0.178 3.942 4.120 0.001 0.000 0.240 506 V C 2.663 178.680 176.094 -0.128 0.000 1.036 506 V CA 2.007 64.262 62.300 -0.074 0.000 1.008 506 V CB -1.203 30.551 31.823 -0.116 0.000 0.648 506 V HN 0.301 nan 8.190 nan 0.000 0.453 507 T N -0.270 114.168 114.554 -0.194 0.000 2.848 507 T HA -0.336 4.014 4.350 0.001 0.000 0.269 507 T C 1.779 176.347 174.700 -0.220 0.000 1.081 507 T CA 1.889 63.865 62.100 -0.207 0.000 1.125 507 T CB -0.399 68.286 68.868 -0.305 0.000 0.848 507 T HN 0.320 nan 8.240 nan 0.000 0.503 508 R N 1.488 121.812 120.500 -0.294 0.000 2.126 508 R HA -0.004 4.337 4.340 0.001 0.000 0.224 508 R C 1.669 177.792 176.300 -0.295 0.000 1.128 508 R CA 1.729 57.589 56.100 -0.399 0.000 0.895 508 R CB -1.369 28.523 30.300 -0.679 0.000 0.817 508 R HN 0.461 nan 8.270 nan 0.000 0.435 509 F N 1.248 121.165 119.950 -0.054 0.000 2.771 509 F HA 0.160 4.687 4.527 0.000 0.000 0.299 509 F C 0.475 176.255 175.800 -0.033 0.000 1.177 509 F CA 0.002 57.981 58.000 -0.035 0.000 1.450 509 F CB -0.592 38.398 39.000 -0.017 0.000 1.114 509 F HN -0.018 nan 8.300 nan 0.000 0.587 510 L N 0.762 122.033 121.223 0.080 0.000 2.456 510 L HA 0.236 4.576 4.340 0.001 0.000 0.272 510 L C 0.606 177.488 176.870 0.020 0.000 1.189 510 L CA 0.214 55.075 54.840 0.035 0.000 0.846 510 L CB 0.385 42.427 42.059 -0.029 0.000 1.111 510 L HN 0.276 nan 8.230 nan 0.000 0.475 511 S N -0.329 115.384 115.700 0.022 0.000 2.655 511 S HA 0.035 4.506 4.470 0.001 0.000 0.263 511 S C 0.070 174.685 174.600 0.025 0.000 1.091 511 S CA -0.488 57.722 58.200 0.017 0.000 0.865 511 S CB 0.830 64.055 63.200 0.042 0.000 1.146 511 S HN 0.775 nan 8.310 nan 0.000 0.482 512 N N 0.489 119.209 118.700 0.034 0.000 2.609 512 N HA -0.098 4.642 4.740 0.001 0.000 0.190 512 N C 0.564 176.107 175.510 0.057 0.000 1.157 512 N CA 0.851 53.926 53.050 0.041 0.000 0.918 512 N CB -0.567 37.954 38.487 0.056 0.000 0.978 512 N HN 0.663 nan 8.380 nan 0.000 0.448 513 N N 0.305 119.052 118.700 0.078 0.000 2.365 513 N HA 0.011 4.752 4.740 0.001 0.000 0.257 513 N C -0.801 174.822 175.510 0.188 0.000 1.287 513 N CA -0.201 52.920 53.050 0.118 0.000 0.882 513 N CB 0.327 38.879 38.487 0.109 0.000 1.250 513 N HN 0.216 nan 8.380 nan 0.000 0.507 514 T N -1.707 112.944 114.554 0.162 0.000 2.865 514 T HA 0.759 5.109 4.350 0.001 0.000 0.294 514 T C -0.389 174.410 174.700 0.165 0.000 1.119 514 T CA -0.944 61.270 62.100 0.189 0.000 1.007 514 T CB 2.065 71.003 68.868 0.116 0.000 1.225 514 T HN 0.224 nan 8.240 nan 0.000 0.515 515 M N 0.699 120.400 119.600 0.168 0.000 2.284 515 M HA 0.656 5.137 4.480 0.001 0.000 0.281 515 M C -1.268 175.083 176.300 0.085 0.000 1.083 515 M CA -1.145 54.227 55.300 0.119 0.000 0.965 515 M CB 1.884 34.565 32.600 0.135 0.000 1.717 515 M HN 0.550 nan 8.290 nan 0.000 0.479 516 V N 4.802 124.763 119.914 0.077 0.000 2.583 516 V HA 0.519 4.639 4.120 0.001 0.000 0.287 516 V C -0.879 175.313 176.094 0.163 0.000 1.051 516 V CA -0.492 61.862 62.300 0.090 0.000 1.010 516 V CB 1.488 33.329 31.823 0.029 0.000 0.988 516 V HN 0.892 nan 8.190 nan 0.000 0.478 517 L N 9.265 130.594 121.223 0.177 0.000 2.324 517 L HA 0.567 4.908 4.340 0.001 0.000 0.274 517 L C -0.966 176.095 176.870 0.317 0.000 1.012 517 L CA -0.708 54.247 54.840 0.191 0.000 0.859 517 L CB 0.938 43.027 42.059 0.050 0.000 1.224 517 L HN 0.854 nan 8.230 nan 0.000 0.429 518 Y N 1.623 121.968 120.300 0.075 0.000 2.453 518 Y HA 0.811 5.361 4.550 0.001 0.000 0.326 518 Y C -0.406 175.546 175.900 0.087 0.000 1.186 518 Y CA -0.885 57.289 58.100 0.124 0.000 1.200 518 Y CB 1.549 40.053 38.460 0.072 0.000 1.247 518 Y HN 0.358 nan 8.280 nan 0.000 0.482 519 T N 1.842 116.510 114.554 0.189 0.000 3.172 519 T HA 0.108 4.458 4.350 0.001 0.000 0.320 519 T C -1.846 172.884 174.700 0.050 0.000 1.085 519 T CA -0.806 61.302 62.100 0.014 0.000 1.052 519 T CB 1.416 70.273 68.868 -0.018 0.000 1.107 519 T HN 0.719 nan 8.240 nan 0.000 0.458 520 D N 2.206 122.601 120.400 -0.009 0.000 2.277 520 D HA 0.366 5.007 4.640 0.001 0.000 0.249 520 D C 0.742 177.033 176.300 -0.016 0.000 1.134 520 D CA -0.623 53.395 54.000 0.030 0.000 0.863 520 D CB 1.182 41.999 40.800 0.028 0.000 1.143 520 D HN 0.386 nan 8.370 nan 0.000 0.458 521 V N 1.349 121.291 119.914 0.046 0.000 3.078 521 V HA 0.151 4.271 4.120 0.001 0.000 0.344 521 V C 1.475 177.651 176.094 0.136 0.000 1.409 521 V CA 0.296 62.646 62.300 0.083 0.000 1.146 521 V CB -0.553 31.351 31.823 0.135 0.000 1.126 521 V HN 0.486 nan 8.190 nan 0.000 0.513 522 S N 0.381 116.134 115.700 0.087 0.000 2.400 522 S HA -0.213 4.258 4.470 0.001 0.000 0.232 522 S C 1.729 176.363 174.600 0.057 0.000 1.025 522 S CA 1.431 59.672 58.200 0.068 0.000 0.993 522 S CB -0.431 62.800 63.200 0.053 0.000 0.808 522 S HN 0.615 nan 8.310 nan 0.000 0.478 523 Q N -0.315 119.529 119.800 0.075 0.000 2.311 523 Q HA 0.056 4.396 4.340 0.001 0.000 0.203 523 Q C 1.702 177.778 176.000 0.127 0.000 0.954 523 Q CA 0.608 56.454 55.803 0.072 0.000 0.885 523 Q CB -0.368 28.409 28.738 0.065 0.000 0.963 523 Q HN 0.905 nan 8.270 nan 0.000 0.471 524 W N 1.987 123.275 121.300 -0.019 0.000 2.443 524 W HA -0.106 4.555 4.660 0.000 0.000 0.296 524 W C 0.278 176.786 176.519 -0.019 0.000 1.202 524 W CA 0.814 58.158 57.345 -0.002 0.000 1.312 524 W CB 0.306 29.769 29.460 0.004 0.000 1.120 524 W HN 0.079 nan 8.180 nan 0.000 0.536 525 D N 0.446 120.733 120.400 -0.188 0.000 2.263 525 D HA -0.161 4.479 4.640 0.001 0.000 0.208 525 D C 2.268 178.357 176.300 -0.351 0.000 0.971 525 D CA 1.890 55.676 54.000 -0.356 0.000 0.867 525 D CB -0.302 40.407 40.800 -0.152 0.000 0.929 525 D HN 0.243 nan 8.370 nan 0.000 0.492 526 S N -0.779 114.782 115.700 -0.232 0.000 2.503 526 S HA 0.026 4.497 4.470 0.001 0.000 0.215 526 S C 1.100 175.560 174.600 -0.233 0.000 1.003 526 S CA -0.377 57.710 58.200 -0.188 0.000 0.910 526 S CB 0.259 63.401 63.200 -0.096 0.000 0.790 526 S HN 0.009 nan 8.310 nan 0.000 0.514 527 S N 1.446 116.984 115.700 -0.271 0.000 2.546 527 S HA 0.078 4.549 4.470 0.001 0.000 0.290 527 S C 1.089 175.483 174.600 -0.344 0.000 1.290 527 S CA -0.343 57.707 58.200 -0.249 0.000 1.069 527 S CB 0.512 63.636 63.200 -0.128 0.000 0.846 527 S HN 0.572 nan 8.310 nan 0.000 0.495 528 Q N 2.899 122.509 119.800 -0.317 0.000 2.291 528 Q HA -0.120 4.221 4.340 0.001 0.000 0.206 528 Q C 1.348 177.182 176.000 -0.277 0.000 0.976 528 Q CA 1.153 56.763 55.803 -0.321 0.000 0.875 528 Q CB -0.132 28.403 28.738 -0.338 0.000 0.927 528 Q HN 0.754 nan 8.270 nan 0.000 0.450 529 H N 0.155 119.137 119.070 -0.148 0.000 2.389 529 H HA -0.082 4.474 4.556 0.001 0.000 0.299 529 H C 1.893 177.043 175.328 -0.297 0.000 1.081 529 H CA 1.452 57.463 56.048 -0.063 0.000 1.345 529 H CB -0.070 29.849 29.762 0.262 0.000 1.393 529 H HN 0.294 nan 8.280 nan 0.000 0.520 530 N N 0.382 118.754 118.700 -0.547 0.000 2.106 530 N HA -0.142 4.598 4.740 0.001 0.000 0.188 530 N C 2.028 177.396 175.510 -0.236 0.000 1.029 530 N CA 1.749 54.390 53.050 -0.682 0.000 0.848 530 N CB -0.478 37.112 38.487 -1.495 0.000 1.007 530 N HN 0.123 nan 8.380 nan 0.000 0.423 531 T N -0.400 114.022 114.554 -0.220 0.000 2.795 531 T HA -0.210 4.141 4.350 0.001 0.000 0.266 531 T C 1.544 176.282 174.700 0.063 0.000 1.056 531 T CA 1.480 63.563 62.100 -0.028 0.000 1.141 531 T CB -0.199 68.635 68.868 -0.057 0.000 0.840 531 T HN 0.264 nan 8.240 nan 0.000 0.493 532 Q N 0.087 119.883 119.800 -0.006 0.000 2.013 532 Q HA 0.097 4.438 4.340 0.001 0.000 0.195 532 Q C -0.222 175.797 176.000 0.032 0.000 0.974 532 Q CA 1.307 57.117 55.803 0.012 0.000 0.826 532 Q CB -1.606 27.126 28.738 -0.010 0.000 0.895 532 Q HN 0.422 nan 8.270 nan 0.000 0.448 533 P HA -0.142 nan 4.420 nan 0.000 0.221 533 P C 1.096 178.439 177.300 0.072 0.000 1.145 533 P CA 0.905 64.032 63.100 0.045 0.000 0.795 533 P CB -0.170 31.584 31.700 0.089 0.000 0.775 534 F N 1.158 121.093 119.950 -0.024 0.000 2.009 534 F HA -0.114 4.414 4.527 0.001 0.000 0.293 534 F C 2.180 177.973 175.800 -0.011 0.000 1.156 534 F CA 1.446 59.436 58.000 -0.016 0.000 1.168 534 F CB -0.633 38.375 39.000 0.014 0.000 0.981 534 F HN -0.327 nan 8.300 nan 0.000 0.475 535 R N 1.021 121.452 120.500 -0.114 0.000 2.139 535 R HA -0.161 4.179 4.340 0.001 0.000 0.243 535 R C 2.085 178.299 176.300 -0.143 0.000 1.145 535 R CA 1.497 57.466 56.100 -0.218 0.000 0.976 535 R CB -0.880 29.405 30.300 -0.026 0.000 0.866 535 R HN 0.437 nan 8.270 nan 0.000 0.449 536 K N -0.302 120.057 120.400 -0.068 0.000 2.025 536 K HA -0.052 4.268 4.320 0.001 0.000 0.207 536 K C 2.236 178.796 176.600 -0.068 0.000 1.049 536 K CA 1.337 57.598 56.287 -0.045 0.000 0.933 536 K CB -0.347 32.149 32.500 -0.007 0.000 0.714 536 K HN 0.283 nan 8.250 nan 0.000 0.438 537 G N 1.502 110.245 108.800 -0.095 0.000 2.422 537 G HA2 -0.221 3.739 3.960 0.001 0.000 0.218 537 G HA3 -0.221 3.739 3.960 0.001 0.000 0.218 537 G C 1.504 176.336 174.900 -0.114 0.000 1.146 537 G CA 0.654 45.692 45.100 -0.102 0.000 0.769 537 G HN 0.124 nan 8.290 nan 0.000 0.547 538 I N 0.493 120.961 120.570 -0.170 0.000 2.133 538 I HA -0.124 4.046 4.170 0.001 0.000 0.238 538 I C 2.698 178.776 176.117 -0.066 0.000 1.074 538 I CA 0.853 62.071 61.300 -0.137 0.000 1.342 538 I CB -0.274 37.608 38.000 -0.196 0.000 1.053 538 I HN 0.136 nan 8.210 nan 0.000 0.404 539 I N 0.312 120.848 120.570 -0.057 0.000 2.118 539 I HA -0.372 3.798 4.170 0.001 0.000 0.241 539 I C 2.700 178.803 176.117 -0.024 0.000 1.070 539 I CA 1.759 63.046 61.300 -0.020 0.000 1.327 539 I CB -0.388 37.600 38.000 -0.021 0.000 1.034 539 I HN 0.241 nan 8.210 nan 0.000 0.405 540 M N 0.460 120.041 119.600 -0.033 0.000 2.082 540 M HA -0.190 4.290 4.480 0.001 0.000 0.258 540 M C 2.379 178.659 176.300 -0.033 0.000 1.069 540 M CA 2.267 57.551 55.300 -0.027 0.000 1.102 540 M CB -0.899 31.686 32.600 -0.026 0.000 1.336 540 M HN 0.431 nan 8.290 nan 0.000 0.404 541 G N 0.204 108.975 108.800 -0.048 0.000 2.421 541 G HA2 -0.181 3.779 3.960 0.001 0.000 0.216 541 G HA3 -0.181 3.779 3.960 0.001 0.000 0.216 541 G C 1.422 176.286 174.900 -0.060 0.000 1.171 541 G CA 0.613 45.677 45.100 -0.060 0.000 0.775 541 G HN 0.370 nan 8.290 nan 0.000 0.543 542 L N 0.602 121.793 121.223 -0.052 0.000 2.129 542 L HA -0.113 4.227 4.340 0.001 0.000 0.212 542 L C 2.488 179.338 176.870 -0.033 0.000 1.087 542 L CA 1.155 55.967 54.840 -0.046 0.000 0.757 542 L CB -0.360 41.700 42.059 0.002 0.000 0.896 542 L HN 0.139 nan 8.230 nan 0.000 0.434 543 D N 0.370 120.756 120.400 -0.024 0.000 2.084 543 D HA -0.155 4.485 4.640 0.001 0.000 0.194 543 D C 2.315 178.602 176.300 -0.022 0.000 0.990 543 D CA 1.364 55.354 54.000 -0.018 0.000 0.826 543 D CB -0.108 40.684 40.800 -0.013 0.000 0.971 543 D HN 0.312 nan 8.370 nan 0.000 0.453 544 I N 1.086 121.640 120.570 -0.027 0.000 2.151 544 I HA -0.296 3.875 4.170 0.001 0.000 0.243 544 I C 2.561 178.658 176.117 -0.032 0.000 1.080 544 I CA 0.904 62.187 61.300 -0.028 0.000 1.339 544 I CB -0.339 37.641 38.000 -0.033 0.000 1.039 544 I HN 0.002 nan 8.210 nan 0.000 0.409 545 L N 0.579 121.775 121.223 -0.046 0.000 1.989 545 L HA -0.229 4.112 4.340 0.001 0.000 0.211 545 L C 2.916 179.764 176.870 -0.037 0.000 1.071 545 L CA 1.489 56.298 54.840 -0.052 0.000 0.749 545 L CB -0.900 41.113 42.059 -0.078 0.000 0.890 545 L HN 0.264 nan 8.230 nan 0.000 0.431 546 A N -0.049 122.753 122.820 -0.031 0.000 1.986 546 A HA -0.223 4.098 4.320 0.001 0.000 0.220 546 A C 1.919 179.495 177.584 -0.013 0.000 1.171 546 A CA 1.896 53.921 52.037 -0.020 0.000 0.640 546 A CB -0.589 18.402 19.000 -0.014 0.000 0.811 546 A HN 0.471 nan 8.150 nan 0.000 0.451 547 N N -0.845 117.847 118.700 -0.013 0.000 2.461 547 N HA 0.107 4.847 4.740 0.001 0.000 0.188 547 N C 0.844 176.350 175.510 -0.006 0.000 1.134 547 N CA 0.495 53.541 53.050 -0.008 0.000 0.878 547 N CB 0.001 38.484 38.487 -0.008 0.000 0.972 547 N HN 0.577 nan 8.380 nan 0.000 0.456 548 M N -0.995 118.600 119.600 -0.009 0.000 2.419 548 M HA 0.120 4.601 4.480 0.001 0.000 0.252 548 M C 0.361 176.664 176.300 0.005 0.000 1.143 548 M CA 0.131 55.429 55.300 -0.003 0.000 0.985 548 M CB 0.741 33.334 32.600 -0.012 0.000 1.489 548 M HN -0.180 nan 8.290 nan 0.000 0.484 549 T N -0.669 113.887 114.554 0.004 0.000 2.693 549 T HA 0.344 4.695 4.350 0.001 0.000 0.304 549 T C -0.863 173.842 174.700 0.008 0.000 1.471 549 T CA -0.646 61.461 62.100 0.011 0.000 0.993 549 T CB 1.073 69.947 68.868 0.011 0.000 1.554 549 T HN 0.251 nan 8.240 nan 0.000 0.496 550 N N 0.269 118.976 118.700 0.011 0.000 2.082 550 N HA 0.119 4.859 4.740 0.001 0.000 0.228 550 N C -0.740 174.776 175.510 0.010 0.000 1.341 550 N CA -0.354 52.701 53.050 0.009 0.000 0.873 550 N CB 0.556 39.049 38.487 0.009 0.000 1.137 550 N HN 0.612 nan 8.380 nan 0.000 0.505 551 D N 1.710 122.118 120.400 0.013 0.000 2.451 551 D HA 0.101 4.742 4.640 0.001 0.000 0.254 551 D C 1.163 177.470 176.300 0.011 0.000 1.204 551 D CA 0.062 54.072 54.000 0.016 0.000 0.896 551 D CB 1.386 42.199 40.800 0.022 0.000 1.136 551 D HN 0.209 nan 8.370 nan 0.000 0.499 552 A N 6.159 128.986 122.820 0.011 0.000 1.917 552 A HA -0.222 4.098 4.320 0.001 0.000 0.219 552 A C 2.110 179.700 177.584 0.009 0.000 1.182 552 A CA 1.158 53.199 52.037 0.008 0.000 0.633 552 A CB -0.122 18.883 19.000 0.008 0.000 0.819 552 A HN 0.530 nan 8.150 nan 0.000 0.448 553 K N -0.345 120.063 120.400 0.014 0.000 1.991 553 K HA -0.101 4.219 4.320 0.001 0.000 0.212 553 K C 2.088 178.693 176.600 0.007 0.000 1.049 553 K CA 1.438 57.734 56.287 0.015 0.000 0.932 553 K CB -1.221 31.294 32.500 0.024 0.000 0.717 553 K HN 0.320 nan 8.250 nan 0.000 0.441 554 V N 2.192 122.109 119.914 0.005 0.000 2.231 554 V HA -0.269 3.852 4.120 0.001 0.000 0.248 554 V C 2.591 178.679 176.094 -0.009 0.000 1.054 554 V CA 1.723 64.019 62.300 -0.007 0.000 1.015 554 V CB -0.508 31.311 31.823 -0.007 0.000 0.638 554 V HN 0.240 nan 8.190 nan 0.000 0.444 555 L N -0.448 120.773 121.223 -0.004 0.000 2.043 555 L HA -0.290 4.050 4.340 0.001 0.000 0.212 555 L C 2.677 179.546 176.870 -0.000 0.000 1.075 555 L CA 2.081 56.919 54.840 -0.004 0.000 0.752 555 L CB -0.652 41.406 42.059 -0.002 0.000 0.891 555 L HN 0.409 nan 8.230 nan 0.000 0.432 556 Q N 0.119 119.920 119.800 0.001 0.000 2.030 556 Q HA -0.229 4.111 4.340 0.001 0.000 0.204 556 Q C 2.232 178.237 176.000 0.009 0.000 0.986 556 Q CA 2.909 58.714 55.803 0.003 0.000 0.843 556 Q CB -0.583 28.157 28.738 0.003 0.000 0.904 556 Q HN 0.506 nan 8.270 nan 0.000 0.420 557 T N -1.491 113.070 114.554 0.011 0.000 2.995 557 T HA -0.042 4.308 4.350 0.001 0.000 0.269 557 T C 1.807 176.531 174.700 0.040 0.000 1.091 557 T CA 0.921 63.036 62.100 0.024 0.000 1.128 557 T CB -0.247 68.628 68.868 0.011 0.000 0.891 557 T HN 0.343 nan 8.240 nan 0.000 0.492 558 L N 0.633 121.862 121.223 0.010 0.000 2.131 558 L HA 0.089 4.429 4.340 0.001 0.000 0.206 558 L C 2.512 179.411 176.870 0.048 0.000 1.087 558 L CA 1.604 56.444 54.840 0.000 0.000 0.767 558 L CB -0.442 41.599 42.059 -0.030 0.000 0.917 558 L HN 0.357 nan 8.230 nan 0.000 0.441 559 N N 0.131 118.850 118.700 0.032 0.000 2.092 559 N HA -0.182 4.558 4.740 0.001 0.000 0.189 559 N C 1.840 177.370 175.510 0.033 0.000 1.040 559 N CA 1.391 54.457 53.050 0.027 0.000 0.845 559 N CB -0.304 38.187 38.487 0.006 0.000 1.017 559 N HN 0.231 nan 8.380 nan 0.000 0.426 560 L N -0.531 120.706 121.223 0.023 0.000 2.263 560 L HA -0.207 4.133 4.340 0.001 0.000 0.216 560 L C 1.856 178.729 176.870 0.004 0.000 1.111 560 L CA 1.033 55.867 54.840 -0.009 0.000 0.773 560 L CB -0.487 41.562 42.059 -0.017 0.000 0.906 560 L HN 0.342 nan 8.230 nan 0.000 0.439 561 Y N 0.639 120.914 120.300 -0.043 0.000 2.206 561 Y HA -0.245 4.306 4.550 0.001 0.000 0.292 561 Y C 2.709 178.592 175.900 -0.028 0.000 1.123 561 Y CA 1.671 59.752 58.100 -0.032 0.000 1.142 561 Y CB 0.025 38.462 38.460 -0.039 0.000 1.006 561 Y HN 0.002 nan 8.280 nan 0.000 0.518 562 K N -0.085 120.399 120.400 0.140 0.000 2.211 562 K HA -0.310 4.011 4.320 0.001 0.000 0.204 562 K C 2.091 178.688 176.600 -0.005 0.000 1.047 562 K CA 1.782 58.106 56.287 0.062 0.000 0.935 562 K CB -0.110 32.416 32.500 0.044 0.000 0.728 562 K HN 0.287 nan 8.250 nan 0.000 0.452 563 Q N 0.554 120.336 119.800 -0.029 0.000 2.046 563 Q HA -0.124 4.216 4.340 0.001 0.000 0.200 563 Q C 1.916 177.882 176.000 -0.057 0.000 0.975 563 Q CA 2.602 58.373 55.803 -0.053 0.000 0.836 563 Q CB -0.562 28.127 28.738 -0.081 0.000 0.896 563 Q HN 0.517 nan 8.270 nan 0.000 0.428 564 T N -1.972 112.523 114.554 -0.099 0.000 2.962 564 T HA -0.083 4.268 4.350 0.001 0.000 0.270 564 T C 1.386 176.111 174.700 0.042 0.000 1.088 564 T CA 0.869 62.980 62.100 0.018 0.000 1.127 564 T CB -0.124 68.755 68.868 0.017 0.000 0.883 564 T HN 0.149 nan 8.240 nan 0.000 0.493 565 Q N 0.070 119.840 119.800 -0.051 0.000 2.482 565 Q HA 0.353 4.693 4.340 0.001 0.000 0.209 565 Q C 1.659 177.661 176.000 0.003 0.000 0.961 565 Q CA 0.360 56.141 55.803 -0.036 0.000 0.945 565 Q CB -0.089 28.609 28.738 -0.066 0.000 1.012 565 Q HN 0.663 nan 8.270 nan 0.000 0.515 566 I N -0.880 119.701 120.570 0.019 0.000 3.570 566 I HA -0.049 4.121 4.170 0.001 0.000 0.270 566 I C 1.117 177.263 176.117 0.048 0.000 1.162 566 I CA 0.034 61.349 61.300 0.026 0.000 1.413 566 I CB 0.101 38.108 38.000 0.013 0.000 1.437 566 I HN 0.009 nan 8.210 nan 0.000 0.457 567 N N 1.521 120.259 118.700 0.064 0.000 2.184 567 N HA -0.171 4.569 4.740 0.001 0.000 0.190 567 N C 1.707 177.266 175.510 0.082 0.000 1.011 567 N CA 1.455 54.558 53.050 0.088 0.000 0.867 567 N CB -0.340 38.242 38.487 0.158 0.000 0.993 567 N HN 0.299 nan 8.380 nan 0.000 0.433 568 L N -0.378 120.897 121.223 0.086 0.000 2.418 568 L HA 0.097 4.438 4.340 0.001 0.000 0.218 568 L C 1.973 178.894 176.870 0.084 0.000 1.125 568 L CA 0.168 55.047 54.840 0.065 0.000 0.835 568 L CB -0.180 41.936 42.059 0.095 0.000 0.953 568 L HN 0.173 nan 8.230 nan 0.000 0.454 569 M N -0.311 119.332 119.600 0.072 0.000 2.065 569 M HA -0.188 4.292 4.480 0.001 0.000 0.259 569 M C 0.544 176.878 176.300 0.056 0.000 1.069 569 M CA 1.566 56.904 55.300 0.064 0.000 1.110 569 M CB -0.851 31.778 32.600 0.047 0.000 1.328 569 M HN 0.127 nan 8.290 nan 0.000 0.405 570 D N 1.737 122.176 120.400 0.065 0.000 2.485 570 D HA 0.175 4.815 4.640 0.001 0.000 0.256 570 D C -0.671 175.705 176.300 0.126 0.000 1.141 570 D CA -0.221 53.829 54.000 0.083 0.000 0.942 570 D CB 0.572 41.441 40.800 0.114 0.000 1.003 570 D HN 0.108 nan 8.370 nan 0.000 0.507 571 S N 1.449 117.186 115.700 0.062 0.000 2.565 571 S HA 0.559 5.029 4.470 0.001 0.000 0.290 571 S C -0.583 174.015 174.600 -0.003 0.000 1.150 571 S CA -0.764 57.463 58.200 0.045 0.000 1.058 571 S CB 1.043 64.195 63.200 -0.081 0.000 1.032 571 S HN 0.307 nan 8.310 nan 0.000 0.510 572 Y N 0.224 120.480 120.300 -0.073 0.000 2.409 572 Y HA 0.637 5.187 4.550 0.000 0.000 0.343 572 Y C -0.138 175.704 175.900 -0.098 0.000 0.973 572 Y CA -0.952 57.126 58.100 -0.036 0.000 1.064 572 Y CB 2.054 40.495 38.460 -0.031 0.000 1.207 572 Y HN 0.562 nan 8.280 nan 0.000 0.452 573 V N 3.246 123.188 119.914 0.047 0.000 2.715 573 V HA 0.292 4.412 4.120 0.001 0.000 0.310 573 V C -0.751 175.353 176.094 0.016 0.000 1.054 573 V CA -0.830 61.453 62.300 -0.027 0.000 0.928 573 V CB 2.030 33.805 31.823 -0.080 0.000 1.007 573 V HN 0.728 nan 8.190 nan 0.000 0.437 574 Q N 4.514 124.308 119.800 -0.010 0.000 2.673 574 Q HA 0.449 4.790 4.340 0.001 0.000 0.224 574 Q C -0.681 175.318 176.000 -0.003 0.000 1.226 574 Q CA -0.037 55.767 55.803 0.001 0.000 1.019 574 Q CB 0.675 29.408 28.738 -0.008 0.000 1.312 574 Q HN 0.578 nan 8.270 nan 0.000 0.566 575 I N 3.413 123.987 120.570 0.007 0.000 2.416 575 I HA 0.184 4.355 4.170 0.001 0.000 0.288 575 I C -2.155 173.961 176.117 -0.001 0.000 1.051 575 I CA -2.056 59.246 61.300 0.004 0.000 1.375 575 I CB 0.891 38.903 38.000 0.021 0.000 1.407 575 I HN 0.143 nan 8.210 nan 0.000 0.516 576 P HA 0.114 nan 4.420 nan 0.000 0.286 576 P C -0.876 176.411 177.300 -0.022 0.000 1.269 576 P CA -0.173 62.915 63.100 -0.021 0.000 0.787 576 P CB 0.701 32.382 31.700 -0.032 0.000 0.920 577 D N 3.184 123.573 120.400 -0.019 0.000 2.634 577 D HA 0.408 5.048 4.640 0.001 0.000 0.318 577 D C 0.810 177.096 176.300 -0.025 0.000 1.226 577 D CA -0.070 53.919 54.000 -0.019 0.000 0.899 577 D CB -0.297 40.501 40.800 -0.004 0.000 1.025 577 D HN 0.549 nan 8.370 nan 0.000 0.501 578 G N 2.604 111.381 108.800 -0.038 0.000 2.893 578 G HA2 -0.218 3.743 3.960 0.001 0.000 0.222 578 G HA3 -0.218 3.743 3.960 0.001 0.000 0.222 578 G C 0.210 175.079 174.900 -0.051 0.000 1.345 578 G CA -0.380 44.697 45.100 -0.039 0.000 1.129 578 G HN 0.341 nan 8.290 nan 0.000 0.560 579 N N 0.449 119.123 118.700 -0.044 0.000 2.299 579 N HA 0.413 5.153 4.740 0.001 0.000 0.246 579 N C -0.396 175.092 175.510 -0.036 0.000 1.254 579 N CA 0.361 53.382 53.050 -0.048 0.000 0.879 579 N CB 2.278 40.735 38.487 -0.051 0.000 1.214 579 N HN 0.389 nan 8.380 nan 0.000 0.510 580 V N 1.244 121.141 119.914 -0.029 0.000 2.815 580 V HA 0.524 4.645 4.120 0.001 0.000 0.314 580 V C -0.010 176.073 176.094 -0.018 0.000 1.064 580 V CA -0.657 61.631 62.300 -0.021 0.000 0.952 580 V CB 2.802 34.617 31.823 -0.015 0.000 1.020 580 V HN 0.006 nan 8.190 nan 0.000 0.439 581 I N 3.493 124.055 120.570 -0.013 0.000 2.621 581 I HA 0.312 4.482 4.170 0.001 0.000 0.276 581 I C 0.154 176.272 176.117 0.002 0.000 1.118 581 I CA -0.471 60.824 61.300 -0.009 0.000 1.159 581 I CB 0.612 38.605 38.000 -0.012 0.000 1.357 581 I HN 0.529 nan 8.210 nan 0.000 0.513 582 K N 4.800 125.205 120.400 0.008 0.000 2.414 582 K HA 0.209 4.530 4.320 0.001 0.000 0.272 582 K C -0.240 176.382 176.600 0.036 0.000 0.993 582 K CA -0.292 56.008 56.287 0.022 0.000 0.964 582 K CB 0.714 33.228 32.500 0.024 0.000 0.925 582 K HN 0.237 nan 8.250 nan 0.000 0.487 583 K N 3.434 123.868 120.400 0.056 0.000 2.404 583 K HA 0.244 4.564 4.320 0.001 0.000 0.257 583 K C -0.095 176.593 176.600 0.147 0.000 1.026 583 K CA -0.549 55.796 56.287 0.097 0.000 0.951 583 K CB 0.208 32.764 32.500 0.093 0.000 1.203 583 K HN 0.516 nan 8.250 nan 0.000 0.446 584 I N -1.624 119.018 120.570 0.121 0.000 2.822 584 I HA 0.326 4.496 4.170 0.001 0.000 0.312 584 I C -0.014 176.088 176.117 -0.024 0.000 1.011 584 I CA -0.721 60.630 61.300 0.085 0.000 1.105 584 I CB 1.458 39.493 38.000 0.058 0.000 1.291 584 I HN 0.427 nan 8.210 nan 0.000 0.474 585 Q N 2.490 122.151 119.800 -0.231 0.000 2.294 585 Q HA 0.242 4.582 4.340 0.001 0.000 0.257 585 Q C -1.897 173.936 176.000 -0.278 0.000 0.955 585 Q CA -0.505 54.879 55.803 -0.697 0.000 0.936 585 Q CB 0.673 28.970 28.738 -0.735 0.000 1.188 585 Q HN 0.751 nan 8.270 nan 0.000 0.420 586 Y N 2.412 122.503 120.300 -0.349 0.000 2.341 586 Y HA 0.453 5.003 4.550 0.000 0.000 0.340 586 Y C 0.634 176.468 175.900 -0.109 0.000 0.997 586 Y CA -0.276 57.744 58.100 -0.133 0.000 1.149 586 Y CB 1.683 40.151 38.460 0.014 0.000 1.171 586 Y HN 0.782 nan 8.280 nan 0.000 0.494 587 G N 3.686 112.246 108.800 -0.400 0.000 4.044 587 G HA2 0.552 4.512 3.960 0.001 0.000 0.297 587 G HA3 0.552 4.512 3.960 0.001 0.000 0.297 587 G C -0.469 174.244 174.900 -0.312 0.000 1.101 587 G CA 0.282 45.222 45.100 -0.266 0.000 0.884 587 G HN 0.788 nan 8.290 nan 0.000 0.538 588 A N -0.523 122.048 122.820 -0.415 0.000 2.485 588 A HA 0.761 5.081 4.320 0.001 0.000 0.292 588 A C -0.960 176.636 177.584 0.021 0.000 1.147 588 A CA -0.528 51.334 52.037 -0.291 0.000 0.750 588 A CB 1.653 20.376 19.000 -0.463 0.000 1.331 588 A HN 0.320 nan 8.150 nan 0.000 0.419 589 V N 1.697 121.585 119.914 -0.043 0.000 2.353 589 V HA 0.520 4.640 4.120 0.001 0.000 0.264 589 V C 0.859 176.894 176.094 -0.099 0.000 1.049 589 V CA 0.254 62.554 62.300 -0.001 0.000 0.896 589 V CB -0.053 31.689 31.823 -0.135 0.000 1.025 589 V HN 1.134 nan 8.190 nan 0.000 0.475 590 A N 4.535 127.183 122.820 -0.287 0.000 2.301 590 A HA 0.881 5.201 4.320 0.001 0.000 0.287 590 A C 0.424 177.676 177.584 -0.553 0.000 1.274 590 A CA -0.136 51.509 52.037 -0.653 0.000 0.865 590 A CB 0.921 18.924 19.000 -1.661 0.000 1.324 590 A HN 1.021 nan 8.150 nan 0.000 0.508 591 S N -2.099 113.316 115.700 -0.476 0.000 2.594 591 S HA 0.669 5.140 4.470 0.001 0.000 0.296 591 S C 0.017 174.528 174.600 -0.148 0.000 1.124 591 S CA 0.174 58.243 58.200 -0.218 0.000 1.011 591 S CB 1.367 64.502 63.200 -0.109 0.000 1.016 591 S HN 1.993 nan 8.310 nan 0.000 0.485 592 G N 2.268 111.059 108.800 -0.015 0.000 3.842 592 G HA2 0.157 4.118 3.960 0.001 0.000 0.153 592 G HA3 0.157 4.118 3.960 0.001 0.000 0.153 592 G C -0.097 174.870 174.900 0.112 0.000 1.165 592 G CA -0.459 44.674 45.100 0.055 0.000 0.819 592 G HN 0.649 nan 8.290 nan 0.000 0.717 593 E N 0.202 120.483 120.200 0.135 0.000 2.451 593 E HA 0.314 4.665 4.350 0.001 0.000 0.256 593 E C 1.177 177.904 176.600 0.213 0.000 1.294 593 E CA 0.058 56.565 56.400 0.178 0.000 1.005 593 E CB 0.783 30.587 29.700 0.173 0.000 0.990 593 E HN 0.117 nan 8.360 nan 0.000 0.505 594 K N 0.639 121.198 120.400 0.265 0.000 2.211 594 K HA -0.109 4.211 4.320 0.001 0.000 0.201 594 K C 1.759 178.500 176.600 0.234 0.000 1.052 594 K CA 1.178 57.646 56.287 0.302 0.000 0.973 594 K CB 0.185 32.901 32.500 0.361 0.000 0.766 594 K HN 0.473 nan 8.250 nan 0.000 0.466 595 Q N -0.639 119.298 119.800 0.228 0.000 2.482 595 Q HA 0.052 4.392 4.340 0.001 0.000 0.209 595 Q C 0.948 177.086 176.000 0.229 0.000 0.961 595 Q CA 0.982 56.922 55.803 0.227 0.000 0.945 595 Q CB -0.147 28.758 28.738 0.279 0.000 1.012 595 Q HN 0.046 nan 8.270 nan 0.000 0.515 596 T N 1.667 116.345 114.554 0.206 0.000 2.536 596 T HA -0.250 4.100 4.350 0.001 0.000 0.263 596 T C 1.523 176.339 174.700 0.194 0.000 1.115 596 T CA 1.937 64.146 62.100 0.182 0.000 1.180 596 T CB -0.166 68.776 68.868 0.124 0.000 0.864 596 T HN 0.383 nan 8.240 nan 0.000 0.419 597 K N 0.740 121.259 120.400 0.199 0.000 2.009 597 K HA -0.035 4.285 4.320 0.001 0.000 0.210 597 K C 2.728 179.515 176.600 0.313 0.000 1.049 597 K CA 1.227 57.672 56.287 0.262 0.000 0.929 597 K CB -0.431 32.259 32.500 0.316 0.000 0.714 597 K HN 0.318 nan 8.250 nan 0.000 0.440 598 A N 1.543 124.485 122.820 0.203 0.000 1.851 598 A HA -0.195 4.125 4.320 0.001 0.000 0.216 598 A C 2.400 180.114 177.584 0.216 0.000 1.195 598 A CA 2.231 54.329 52.037 0.102 0.000 0.622 598 A CB -1.021 17.947 19.000 -0.053 0.000 0.831 598 A HN 0.380 nan 8.150 nan 0.000 0.444 599 A N -0.187 122.785 122.820 0.252 0.000 1.917 599 A HA -0.272 4.048 4.320 0.001 0.000 0.219 599 A C 1.955 179.809 177.584 0.451 0.000 1.182 599 A CA 2.354 54.620 52.037 0.382 0.000 0.633 599 A CB -0.899 18.413 19.000 0.520 0.000 0.819 599 A HN 0.610 nan 8.150 nan 0.000 0.448 600 N N -0.131 118.764 118.700 0.326 0.000 2.120 600 N HA -0.097 4.643 4.740 0.001 0.000 0.188 600 N C 1.981 177.666 175.510 0.291 0.000 1.024 600 N CA 1.607 54.789 53.050 0.220 0.000 0.852 600 N CB -0.189 38.382 38.487 0.140 0.000 1.003 600 N HN 0.450 nan 8.380 nan 0.000 0.424 601 S N 0.369 116.286 115.700 0.361 0.000 2.348 601 S HA -0.073 4.398 4.470 0.001 0.000 0.221 601 S C 1.962 176.845 174.600 0.472 0.000 1.033 601 S CA 0.957 59.427 58.200 0.450 0.000 1.010 601 S CB -0.365 63.260 63.200 0.708 0.000 0.891 601 S HN 0.298 nan 8.310 nan 0.000 0.442 602 I N 2.096 122.967 120.570 0.501 0.000 2.091 602 I HA -0.290 3.880 4.170 0.001 0.000 0.239 602 I C 2.804 179.133 176.117 0.353 0.000 1.061 602 I CA 1.375 62.936 61.300 0.435 0.000 1.317 602 I CB -0.856 37.320 38.000 0.294 0.000 1.031 602 I HN 0.274 nan 8.210 nan 0.000 0.401 603 A N 1.405 124.467 122.820 0.403 0.000 1.851 603 A HA -0.249 4.071 4.320 0.001 0.000 0.216 603 A C 2.122 180.001 177.584 0.491 0.000 1.195 603 A CA 2.260 54.584 52.037 0.479 0.000 0.622 603 A CB -0.940 18.367 19.000 0.512 0.000 0.831 603 A HN 0.476 nan 8.150 nan 0.000 0.444 604 N N -0.283 118.639 118.700 0.369 0.000 2.137 604 N HA -0.172 4.568 4.740 0.001 0.000 0.190 604 N C 1.588 177.221 175.510 0.205 0.000 1.017 604 N CA 1.701 54.924 53.050 0.289 0.000 0.859 604 N CB -0.525 38.089 38.487 0.212 0.000 1.002 604 N HN 0.482 nan 8.380 nan 0.000 0.428 605 L N 1.004 122.324 121.223 0.162 0.000 2.072 605 L HA 0.126 4.466 4.340 0.001 0.000 0.205 605 L C 2.155 179.101 176.870 0.128 0.000 1.079 605 L CA 1.460 56.335 54.840 0.058 0.000 0.752 605 L CB -1.073 40.937 42.059 -0.083 0.000 0.906 605 L HN 0.079 nan 8.230 nan 0.000 0.436 606 A N -0.233 122.721 122.820 0.224 0.000 1.948 606 A HA -0.235 4.085 4.320 0.001 0.000 0.220 606 A C 2.247 180.037 177.584 0.343 0.000 1.177 606 A CA 2.144 54.340 52.037 0.264 0.000 0.636 606 A CB -1.073 18.085 19.000 0.263 0.000 0.815 606 A HN 0.523 nan 8.150 nan 0.000 0.449 607 L N -0.170 121.274 121.223 0.369 0.000 1.961 607 L HA -0.119 4.221 4.340 0.001 0.000 0.210 607 L C 2.315 179.166 176.870 -0.032 0.000 1.072 607 L CA 2.238 57.133 54.840 0.093 0.000 0.749 607 L CB -0.586 41.458 42.059 -0.026 0.000 0.889 607 L HN 0.499 nan 8.230 nan 0.000 0.432 608 I N -0.763 119.813 120.570 0.011 0.000 2.194 608 I HA -0.401 3.769 4.170 0.001 0.000 0.246 608 I C 2.403 178.503 176.117 -0.030 0.000 1.093 608 I CA 1.660 62.946 61.300 -0.023 0.000 1.355 608 I CB -0.185 37.830 38.000 0.024 0.000 1.046 608 I HN 0.380 nan 8.210 nan 0.000 0.413 609 K N -0.080 120.331 120.400 0.018 0.000 2.032 609 K HA -0.183 4.137 4.320 0.001 0.000 0.209 609 K C 1.953 178.560 176.600 0.012 0.000 1.048 609 K CA 2.208 58.512 56.287 0.029 0.000 0.927 609 K CB -0.397 32.136 32.500 0.055 0.000 0.712 609 K HN 0.416 nan 8.250 nan 0.000 0.441 610 T N 1.079 115.641 114.554 0.013 0.000 2.746 610 T HA -0.118 4.232 4.350 0.001 0.000 0.267 610 T C 2.052 176.684 174.700 -0.114 0.000 1.039 610 T CA 1.336 63.425 62.100 -0.018 0.000 1.142 610 T CB -0.212 68.660 68.868 0.008 0.000 0.866 610 T HN -0.045 nan 8.240 nan 0.000 0.444 611 V N 1.516 121.298 119.914 -0.219 0.000 2.223 611 V HA -0.117 4.003 4.120 0.001 0.000 0.244 611 V C 2.549 178.555 176.094 -0.146 0.000 1.045 611 V CA 1.527 63.636 62.300 -0.318 0.000 1.000 611 V CB -0.804 30.664 31.823 -0.591 0.000 0.635 611 V HN 0.406 nan 8.190 nan 0.000 0.445 612 L N 0.206 121.386 121.223 -0.072 0.000 2.013 612 L HA -0.255 4.086 4.340 0.001 0.000 0.212 612 L C 2.784 179.735 176.870 0.136 0.000 1.073 612 L CA 2.063 56.942 54.840 0.065 0.000 0.753 612 L CB -0.763 41.365 42.059 0.115 0.000 0.890 612 L HN 0.447 nan 8.230 nan 0.000 0.432 613 S N -0.205 115.528 115.700 0.056 0.000 2.374 613 S HA -0.289 4.181 4.470 0.001 0.000 0.227 613 S C 2.140 176.757 174.600 0.028 0.000 1.037 613 S CA 1.980 60.199 58.200 0.032 0.000 1.024 613 S CB -0.159 63.047 63.200 0.008 0.000 0.861 613 S HN 0.337 nan 8.310 nan 0.000 0.456 614 R N 1.733 122.237 120.500 0.006 0.000 2.075 614 R HA 0.086 4.426 4.340 0.001 0.000 0.232 614 R C 2.209 178.542 176.300 0.056 0.000 1.126 614 R CA 1.932 58.033 56.100 0.003 0.000 0.963 614 R CB -0.941 29.329 30.300 -0.049 0.000 0.858 614 R HN 0.746 nan 8.270 nan 0.000 0.435 615 I N -0.432 120.192 120.570 0.091 0.000 3.001 615 I HA -0.038 4.132 4.170 0.001 0.000 0.268 615 I C 1.484 177.810 176.117 0.349 0.000 1.267 615 I CA 1.299 62.714 61.300 0.190 0.000 1.472 615 I CB -0.456 37.600 38.000 0.094 0.000 1.089 615 I HN 0.170 nan 8.210 nan 0.000 0.468 616 S N 0.963 116.825 115.700 0.270 0.000 2.481 616 S HA -0.080 4.390 4.470 0.001 0.000 0.231 616 S C 1.436 176.101 174.600 0.108 0.000 0.996 616 S CA 0.976 59.282 58.200 0.177 0.000 0.942 616 S CB -1.098 62.041 63.200 -0.102 0.000 0.768 616 S HN 0.649 nan 8.310 nan 0.000 0.520 617 N N 1.540 120.297 118.700 0.094 0.000 2.223 617 N HA -0.066 4.674 4.740 0.001 0.000 0.185 617 N C 1.801 177.335 175.510 0.041 0.000 1.016 617 N CA 1.168 54.244 53.050 0.044 0.000 0.863 617 N CB -0.047 38.457 38.487 0.028 0.000 0.983 617 N HN 0.516 nan 8.380 nan 0.000 0.429 618 K N 0.162 120.609 120.400 0.078 0.000 2.157 618 K HA 0.055 4.376 4.320 0.001 0.000 0.207 618 K C 0.020 176.592 176.600 -0.047 0.000 1.030 618 K CA 0.535 56.778 56.287 -0.073 0.000 0.965 618 K CB 0.004 32.333 32.500 -0.284 0.000 0.877 618 K HN 0.231 nan 8.250 nan 0.000 0.460 619 H N -0.367 118.806 119.070 0.173 0.000 2.472 619 H HA 0.312 4.868 4.556 0.000 0.000 0.335 619 H C -0.768 174.717 175.328 0.262 0.000 1.136 619 H CA -0.877 55.332 56.048 0.270 0.000 1.264 619 H CB 1.537 31.552 29.762 0.421 0.000 1.486 619 H HN -0.134 nan 8.280 nan 0.000 0.517 620 S N 2.109 118.018 115.700 0.349 0.000 2.456 620 S HA 0.580 5.050 4.470 0.001 0.000 0.316 620 S C -1.160 173.460 174.600 0.032 0.000 1.089 620 S CA -0.724 57.519 58.200 0.072 0.000 1.101 620 S CB -0.536 62.680 63.200 0.026 0.000 0.995 620 S HN 0.524 nan 8.310 nan 0.000 0.468 621 F N 2.153 121.956 119.950 -0.245 0.000 2.894 621 F HA 0.977 5.504 4.527 0.001 0.000 0.332 621 F C -0.575 175.032 175.800 -0.321 0.000 1.192 621 F CA -1.442 56.238 58.000 -0.533 0.000 0.980 621 F CB 0.752 39.116 39.000 -1.060 0.000 1.448 621 F HN 0.534 nan 8.300 nan 0.000 0.514 622 A N -0.050 122.717 122.820 -0.088 0.000 2.401 622 A HA 0.691 5.011 4.320 0.001 0.000 0.310 622 A C -1.121 176.484 177.584 0.034 0.000 1.075 622 A CA -0.772 51.200 52.037 -0.108 0.000 0.746 622 A CB 1.193 20.114 19.000 -0.131 0.000 1.277 622 A HN 0.746 nan 8.150 nan 0.000 0.425 623 T N 3.338 117.882 114.554 -0.017 0.000 3.005 623 T HA 0.165 4.516 4.350 0.001 0.000 0.323 623 T C 0.974 175.610 174.700 -0.107 0.000 1.131 623 T CA -0.493 61.613 62.100 0.009 0.000 0.977 623 T CB 0.496 69.392 68.868 0.046 0.000 1.055 623 T HN 0.577 nan 8.240 nan 0.000 0.562 624 K N 2.354 122.641 120.400 -0.188 0.000 2.025 624 K HA 0.101 4.421 4.320 0.001 0.000 0.207 624 K C 1.111 177.627 176.600 -0.140 0.000 1.049 624 K CA 1.023 57.033 56.287 -0.462 0.000 0.933 624 K CB -0.084 32.002 32.500 -0.691 0.000 0.714 624 K HN 0.765 nan 8.250 nan 0.000 0.438 625 I N -3.201 117.398 120.570 0.048 0.000 2.841 625 I HA 0.452 4.623 4.170 0.001 0.000 0.298 625 I C -1.234 174.934 176.117 0.086 0.000 1.304 625 I CA -0.975 60.401 61.300 0.127 0.000 1.019 625 I CB 2.343 40.493 38.000 0.251 0.000 1.282 625 I HN -0.231 nan 8.210 nan 0.000 0.432 626 I N 4.385 124.977 120.570 0.037 0.000 2.545 626 I HA 0.623 4.794 4.170 0.001 0.000 0.292 626 I C -0.665 175.392 176.117 -0.100 0.000 1.040 626 I CA -0.715 60.576 61.300 -0.014 0.000 1.068 626 I CB 1.949 39.937 38.000 -0.020 0.000 1.251 626 I HN 0.595 nan 8.210 nan 0.000 0.424 627 R N 4.125 124.484 120.500 -0.235 0.000 2.668 627 R HA 0.650 4.991 4.340 0.001 0.000 0.272 627 R C -1.654 174.342 176.300 -0.506 0.000 1.019 627 R CA -0.804 55.041 56.100 -0.425 0.000 0.894 627 R CB 2.832 32.742 30.300 -0.652 0.000 1.228 627 R HN 0.409 nan 8.270 nan 0.000 0.460 628 V N 1.125 120.813 119.914 -0.375 0.000 2.638 628 V HA 0.586 4.706 4.120 0.001 0.000 0.306 628 V C -1.602 174.404 176.094 -0.148 0.000 1.052 628 V CA -0.403 61.760 62.300 -0.228 0.000 0.885 628 V CB 1.941 33.674 31.823 -0.150 0.000 0.999 628 V HN 0.774 nan 8.190 nan 0.000 0.424 629 D N 4.362 124.718 120.400 -0.073 0.000 2.337 629 D HA 0.600 5.240 4.640 0.001 0.000 0.238 629 D C 0.351 176.676 176.300 0.041 0.000 1.331 629 D CA 1.192 55.185 54.000 -0.011 0.000 0.967 629 D CB 1.158 41.982 40.800 0.040 0.000 1.382 629 D HN 1.422 nan 8.370 nan 0.000 0.549 630 G N 3.981 112.802 108.800 0.037 0.000 2.514 630 G HA2 -0.298 3.662 3.960 0.001 0.000 0.265 630 G HA3 -0.298 3.662 3.960 0.001 0.000 0.265 630 G C 0.457 175.413 174.900 0.093 0.000 1.150 630 G CA 0.225 45.363 45.100 0.063 0.000 0.959 630 G HN 0.463 nan 8.290 nan 0.000 0.556 631 D N 2.303 122.761 120.400 0.096 0.000 2.325 631 D HA 0.289 4.929 4.640 0.001 0.000 0.225 631 D C 0.243 176.613 176.300 0.116 0.000 1.096 631 D CA 0.475 54.537 54.000 0.103 0.000 0.844 631 D CB 0.104 40.958 40.800 0.088 0.000 0.925 631 D HN 0.371 nan 8.370 nan 0.000 0.513 632 D N 0.020 120.497 120.400 0.128 0.000 2.423 632 D HA 0.372 5.012 4.640 0.001 0.000 0.235 632 D C -0.360 176.011 176.300 0.118 0.000 1.011 632 D CA -0.604 53.492 54.000 0.159 0.000 0.963 632 D CB 1.830 42.773 40.800 0.238 0.000 1.349 632 D HN 0.054 nan 8.370 nan 0.000 0.508 633 N N -0.564 118.214 118.700 0.131 0.000 2.406 633 N HA 0.427 5.168 4.740 0.001 0.000 0.283 633 N C -1.707 173.867 175.510 0.106 0.000 1.074 633 N CA -0.764 52.284 53.050 -0.003 0.000 0.916 633 N CB 1.112 39.617 38.487 0.029 0.000 1.639 633 N HN 0.364 nan 8.380 nan 0.000 0.485 634 Y N -0.634 119.722 120.300 0.094 0.000 2.638 634 Y HA 0.997 5.547 4.550 0.000 0.000 0.339 634 Y C -1.160 174.781 175.900 0.068 0.000 1.084 634 Y CA -1.557 56.605 58.100 0.104 0.000 1.068 634 Y CB 1.102 39.638 38.460 0.128 0.000 1.294 634 Y HN 0.860 nan 8.280 nan 0.000 0.480 635 A N 0.345 123.349 122.820 0.307 0.000 2.606 635 A HA 0.762 5.082 4.320 0.001 0.000 0.293 635 A C -2.202 175.477 177.584 0.159 0.000 1.082 635 A CA -0.852 51.294 52.037 0.182 0.000 0.685 635 A CB 1.627 20.670 19.000 0.072 0.000 1.284 635 A HN 0.819 nan 8.150 nan 0.000 0.408 636 V N 2.353 122.341 119.914 0.123 0.000 2.349 636 V HA 0.397 4.517 4.120 0.001 0.000 0.284 636 V C -0.367 175.737 176.094 0.016 0.000 1.014 636 V CA -0.191 62.163 62.300 0.091 0.000 0.826 636 V CB 0.782 32.702 31.823 0.161 0.000 1.009 636 V HN 0.697 nan 8.190 nan 0.000 0.431 637 L N 3.990 125.181 121.223 -0.053 0.000 2.360 637 L HA 0.664 5.004 4.340 0.001 0.000 0.271 637 L C -0.109 176.697 176.870 -0.106 0.000 1.057 637 L CA -0.454 54.297 54.840 -0.148 0.000 0.803 637 L CB 1.506 43.240 42.059 -0.542 0.000 1.207 637 L HN 0.580 nan 8.230 nan 0.000 0.445 638 Q N 1.443 121.154 119.800 -0.148 0.000 2.337 638 Q HA 0.512 4.852 4.340 0.001 0.000 0.270 638 Q C -1.748 174.148 176.000 -0.173 0.000 1.043 638 Q CA -0.522 55.241 55.803 -0.067 0.000 0.794 638 Q CB 2.143 30.850 28.738 -0.050 0.000 1.281 638 Q HN 0.434 nan 8.270 nan 0.000 0.446 639 F N 1.499 121.499 119.950 0.083 0.000 2.509 639 F HA 0.354 4.881 4.527 0.000 0.000 0.334 639 F C 1.168 177.001 175.800 0.056 0.000 1.060 639 F CA -0.694 57.362 58.000 0.093 0.000 0.997 639 F CB 1.014 40.067 39.000 0.088 0.000 1.271 639 F HN 0.597 nan 8.300 nan 0.000 0.488 640 N N -1.003 117.848 118.700 0.252 0.000 2.446 640 N HA -0.008 4.732 4.740 0.001 0.000 0.179 640 N C 0.062 175.646 175.510 0.124 0.000 1.054 640 N CA 0.473 53.606 53.050 0.139 0.000 0.905 640 N CB 0.242 38.789 38.487 0.100 0.000 0.973 640 N HN 0.520 nan 8.380 nan 0.000 0.448 641 T N -1.061 113.584 114.554 0.152 0.000 2.924 641 T HA 0.222 4.572 4.350 0.001 0.000 0.291 641 T C -0.817 173.928 174.700 0.073 0.000 1.045 641 T CA -0.845 61.308 62.100 0.089 0.000 1.015 641 T CB 1.167 70.071 68.868 0.060 0.000 1.103 641 T HN -0.008 nan 8.240 nan 0.000 0.496 642 E N 1.638 121.863 120.200 0.042 0.000 2.413 642 E HA 0.251 4.601 4.350 0.001 0.000 0.263 642 E C -0.485 176.105 176.600 -0.016 0.000 1.015 642 E CA -0.332 56.085 56.400 0.029 0.000 0.916 642 E CB 0.608 30.324 29.700 0.026 0.000 0.947 642 E HN 0.435 nan 8.360 nan 0.000 0.440 643 V N 3.798 123.695 119.914 -0.029 0.000 2.649 643 V HA 0.209 4.329 4.120 0.001 0.000 0.292 643 V C 0.458 176.511 176.094 -0.067 0.000 1.055 643 V CA 0.009 62.247 62.300 -0.104 0.000 1.023 643 V CB 1.325 33.091 31.823 -0.094 0.000 0.992 643 V HN 0.887 nan 8.190 nan 0.000 0.480 644 T N 0.805 115.305 114.554 -0.090 0.000 2.906 644 T HA 0.447 4.798 4.350 0.001 0.000 0.295 644 T C 0.682 175.356 174.700 -0.043 0.000 1.075 644 T CA -0.973 61.099 62.100 -0.046 0.000 1.005 644 T CB 1.828 70.675 68.868 -0.035 0.000 1.136 644 T HN 0.485 nan 8.240 nan 0.000 0.498 645 K N 0.138 120.533 120.400 -0.010 0.000 2.107 645 K HA -0.272 4.048 4.320 0.001 0.000 0.211 645 K C 2.157 178.752 176.600 -0.008 0.000 1.049 645 K CA 1.923 58.213 56.287 0.005 0.000 0.927 645 K CB -0.236 32.285 32.500 0.035 0.000 0.714 645 K HN 0.542 nan 8.250 nan 0.000 0.452 646 Q N 0.742 120.535 119.800 -0.012 0.000 2.119 646 Q HA -0.026 4.314 4.340 0.001 0.000 0.201 646 Q C 1.934 177.917 176.000 -0.028 0.000 0.972 646 Q CA 1.530 57.326 55.803 -0.012 0.000 0.847 646 Q CB -0.017 28.715 28.738 -0.009 0.000 0.903 646 Q HN 0.300 nan 8.270 nan 0.000 0.433 647 M N -0.827 118.732 119.600 -0.069 0.000 2.117 647 M HA -0.142 4.338 4.480 0.001 0.000 0.262 647 M C 1.969 178.198 176.300 -0.118 0.000 1.065 647 M CA 1.287 56.512 55.300 -0.125 0.000 1.114 647 M CB -0.276 32.164 32.600 -0.266 0.000 1.361 647 M HN 0.233 nan 8.290 nan 0.000 0.408 648 I N -0.119 120.391 120.570 -0.100 0.000 2.179 648 I HA -0.342 3.829 4.170 0.001 0.000 0.242 648 I C 2.709 178.803 176.117 -0.038 0.000 1.088 648 I CA 1.555 62.812 61.300 -0.071 0.000 1.357 648 I CB -0.684 37.289 38.000 -0.045 0.000 1.051 648 I HN 0.466 nan 8.210 nan 0.000 0.409 649 Q N 1.191 120.980 119.800 -0.018 0.000 2.045 649 Q HA -0.280 4.060 4.340 0.001 0.000 0.206 649 Q C 1.767 177.777 176.000 0.018 0.000 0.991 649 Q CA 2.247 58.050 55.803 -0.000 0.000 0.851 649 Q CB -0.140 28.604 28.738 0.010 0.000 0.911 649 Q HN 0.498 nan 8.270 nan 0.000 0.418 650 D N -0.188 120.237 120.400 0.042 0.000 2.092 650 D HA -0.164 4.477 4.640 0.001 0.000 0.193 650 D C 2.109 178.505 176.300 0.160 0.000 0.994 650 D CA 1.706 55.778 54.000 0.121 0.000 0.828 650 D CB -0.190 40.709 40.800 0.165 0.000 0.963 650 D HN 0.189 nan 8.370 nan 0.000 0.450 651 V N 1.317 121.252 119.914 0.034 0.000 2.233 651 V HA -0.276 3.844 4.120 0.001 0.000 0.247 651 V C 2.726 178.773 176.094 -0.079 0.000 1.050 651 V CA 2.128 64.321 62.300 -0.178 0.000 1.010 651 V CB -0.846 30.860 31.823 -0.196 0.000 0.637 651 V HN 0.230 nan 8.190 nan 0.000 0.444 652 S N 0.001 115.673 115.700 -0.047 0.000 2.392 652 S HA -0.306 4.164 4.470 0.001 0.000 0.232 652 S C 1.719 176.314 174.600 -0.009 0.000 1.041 652 S CA 2.512 60.691 58.200 -0.035 0.000 1.026 652 S CB -0.736 62.441 63.200 -0.039 0.000 0.845 652 S HN 0.769 nan 8.310 nan 0.000 0.465 653 N N 0.632 119.342 118.700 0.016 0.000 2.092 653 N HA -0.058 4.683 4.740 0.001 0.000 0.189 653 N C 1.288 176.822 175.510 0.040 0.000 1.040 653 N CA 1.505 54.572 53.050 0.028 0.000 0.845 653 N CB -0.328 38.183 38.487 0.039 0.000 1.017 653 N HN 0.437 nan 8.380 nan 0.000 0.426 654 D N 0.600 121.045 120.400 0.074 0.000 2.190 654 D HA -0.127 4.513 4.640 0.001 0.000 0.200 654 D C 1.901 178.218 176.300 0.028 0.000 0.992 654 D CA 0.627 54.677 54.000 0.085 0.000 0.854 654 D CB -0.160 40.773 40.800 0.223 0.000 0.936 654 D HN 0.036 nan 8.370 nan 0.000 0.462 655 V N 0.413 120.331 119.914 0.007 0.000 2.221 655 V HA -0.224 3.896 4.120 0.001 0.000 0.242 655 V C 2.327 178.476 176.094 0.092 0.000 1.041 655 V CA 1.660 63.961 62.300 0.001 0.000 0.995 655 V CB -0.378 31.453 31.823 0.014 0.000 0.635 655 V HN 0.110 nan 8.190 nan 0.000 0.448 656 R N -0.084 120.481 120.500 0.109 0.000 2.117 656 R HA -0.256 4.084 4.340 0.001 0.000 0.243 656 R C 2.282 178.632 176.300 0.083 0.000 1.143 656 R CA 1.887 58.055 56.100 0.114 0.000 0.968 656 R CB -0.324 29.992 30.300 0.026 0.000 0.863 656 R HN 0.603 nan 8.270 nan 0.000 0.444 657 E N 0.150 120.374 120.200 0.039 0.000 2.072 657 E HA -0.103 4.247 4.350 0.001 0.000 0.190 657 E C 1.586 178.177 176.600 -0.015 0.000 0.982 657 E CA 1.849 58.256 56.400 0.012 0.000 0.803 657 E CB -0.193 29.513 29.700 0.010 0.000 0.755 657 E HN 0.105 nan 8.360 nan 0.000 0.453 658 T N -0.120 114.408 114.554 -0.044 0.000 2.788 658 T HA -0.137 4.213 4.350 0.001 0.000 0.268 658 T C 1.237 175.828 174.700 -0.181 0.000 1.044 658 T CA 1.484 63.504 62.100 -0.134 0.000 1.139 658 T CB -0.503 68.243 68.868 -0.204 0.000 0.867 658 T HN 0.232 nan 8.240 nan 0.000 0.454 659 Y N 1.242 121.450 120.300 -0.153 0.000 2.293 659 Y HA 0.113 4.664 4.550 0.001 0.000 0.291 659 Y C 2.604 178.396 175.900 -0.181 0.000 1.137 659 Y CA 0.407 58.383 58.100 -0.207 0.000 1.202 659 Y CB -0.638 37.715 38.460 -0.180 0.000 0.990 659 Y HN 0.198 nan 8.280 nan 0.000 0.537 660 A N -0.209 122.634 122.820 0.038 0.000 1.930 660 A HA -0.179 4.142 4.320 0.001 0.000 0.217 660 A C 2.088 179.640 177.584 -0.054 0.000 1.175 660 A CA 1.486 53.522 52.037 -0.003 0.000 0.627 660 A CB -0.464 18.537 19.000 0.001 0.000 0.815 660 A HN 0.251 nan 8.150 nan 0.000 0.443 661 R N -0.660 119.788 120.500 -0.086 0.000 2.357 661 R HA 0.152 4.492 4.340 0.001 0.000 0.202 661 R C 1.261 177.437 176.300 -0.206 0.000 1.047 661 R CA 0.906 56.931 56.100 -0.125 0.000 1.034 661 R CB -0.512 29.716 30.300 -0.120 0.000 0.875 661 R HN 0.575 nan 8.270 nan 0.000 0.473 662 M N -1.199 118.268 119.600 -0.222 0.000 2.313 662 M HA 0.187 4.667 4.480 0.001 0.000 0.273 662 M C -0.354 175.857 176.300 -0.147 0.000 1.049 662 M CA -0.042 55.062 55.300 -0.327 0.000 1.004 662 M CB 0.496 32.842 32.600 -0.424 0.000 1.461 662 M HN 0.014 nan 8.290 nan 0.000 0.514 663 N N 1.223 119.866 118.700 -0.095 0.000 2.740 663 N HA -0.136 4.604 4.740 0.001 0.000 0.248 663 N C -0.643 174.997 175.510 0.216 0.000 1.062 663 N CA 0.763 53.807 53.050 -0.011 0.000 0.704 663 N CB -0.959 37.350 38.487 -0.298 0.000 0.968 663 N HN 0.477 nan 8.380 nan 0.000 0.547 664 A N 0.242 123.146 122.820 0.140 0.000 2.267 664 A HA 0.463 4.783 4.320 0.001 0.000 0.315 664 A C 0.131 177.786 177.584 0.118 0.000 1.297 664 A CA -0.652 51.527 52.037 0.237 0.000 0.865 664 A CB 0.726 19.649 19.000 -0.128 0.000 1.165 664 A HN 0.066 nan 8.150 nan 0.000 0.513 665 K N 2.372 122.868 120.400 0.160 0.000 2.228 665 K HA 0.352 4.672 4.320 0.001 0.000 0.284 665 K C -0.184 176.417 176.600 0.001 0.000 1.088 665 K CA 0.180 56.504 56.287 0.061 0.000 0.941 665 K CB 0.247 32.792 32.500 0.075 0.000 1.158 665 K HN 0.810 nan 8.250 nan 0.000 0.438 666 V N -0.300 119.544 119.914 -0.116 0.000 3.049 666 V HA 0.547 4.667 4.120 0.001 0.000 0.309 666 V C -0.730 175.217 176.094 -0.245 0.000 1.148 666 V CA -1.428 60.743 62.300 -0.215 0.000 0.990 666 V CB 2.166 33.718 31.823 -0.453 0.000 1.039 666 V HN 0.625 nan 8.190 nan 0.000 0.430 667 K N 2.725 123.002 120.400 -0.205 0.000 2.253 667 K HA 0.872 5.192 4.320 0.001 0.000 0.277 667 K C -0.455 175.992 176.600 -0.254 0.000 1.053 667 K CA -0.072 56.104 56.287 -0.185 0.000 0.892 667 K CB 1.628 34.060 32.500 -0.113 0.000 1.102 667 K HN 1.377 nan 8.250 nan 0.000 0.469 668 A N 5.656 128.318 122.820 -0.263 0.000 2.311 668 A HA 0.561 4.881 4.320 0.001 0.000 0.306 668 A C -1.041 176.375 177.584 -0.281 0.000 1.189 668 A CA -0.929 50.950 52.037 -0.263 0.000 0.791 668 A CB 0.623 19.512 19.000 -0.184 0.000 1.172 668 A HN 0.765 nan 8.150 nan 0.000 0.481 669 L N 1.836 122.764 121.223 -0.491 0.000 2.319 669 L HA 0.771 5.111 4.340 0.001 0.000 0.267 669 L C -0.787 175.847 176.870 -0.394 0.000 1.011 669 L CA -1.069 53.449 54.840 -0.537 0.000 0.818 669 L CB 2.402 43.952 42.059 -0.848 0.000 1.316 669 L HN 0.385 nan 8.230 nan 0.000 0.432 670 V N 0.856 120.684 119.914 -0.144 0.000 2.488 670 V HA 0.520 4.641 4.120 0.001 0.000 0.293 670 V C -0.405 175.739 176.094 0.084 0.000 1.027 670 V CA -0.277 62.031 62.300 0.013 0.000 0.862 670 V CB 1.597 33.407 31.823 -0.022 0.000 1.008 670 V HN 0.815 nan 8.190 nan 0.000 0.428 671 S N 2.955 118.762 115.700 0.178 0.000 2.745 671 S HA 0.688 5.159 4.470 0.001 0.000 0.306 671 S C 0.520 175.158 174.600 0.063 0.000 1.137 671 S CA 0.289 58.557 58.200 0.114 0.000 0.900 671 S CB 2.411 65.701 63.200 0.150 0.000 1.176 671 S HN 0.916 nan 8.310 nan 0.000 0.520 672 T N -0.620 113.948 114.554 0.024 0.000 3.200 672 T HA 0.373 4.723 4.350 0.001 0.000 0.284 672 T C 0.816 175.498 174.700 -0.030 0.000 1.009 672 T CA 0.391 62.494 62.100 0.005 0.000 0.907 672 T CB -0.344 68.524 68.868 -0.000 0.000 1.120 672 T HN 1.184 nan 8.240 nan 0.000 0.534 673 V N -3.664 116.225 119.914 -0.042 0.000 3.110 673 V HA 0.738 4.858 4.120 0.001 0.000 0.233 673 V C 0.573 176.612 176.094 -0.091 0.000 1.550 673 V CA 0.424 62.682 62.300 -0.070 0.000 1.186 673 V CB 0.362 32.142 31.823 -0.071 0.000 1.052 673 V HN 0.556 nan 8.190 nan 0.000 0.452 674 G N 0.895 109.624 108.800 -0.120 0.000 2.766 674 G HA2 0.845 4.805 3.960 0.001 0.000 0.288 674 G HA3 0.845 4.805 3.960 0.001 0.000 0.288 674 G C -1.447 173.205 174.900 -0.413 0.000 1.408 674 G CA -0.336 44.646 45.100 -0.196 0.000 0.852 674 G HN 1.171 nan 8.290 nan 0.000 0.487 675 I N -3.492 116.769 120.570 -0.515 0.000 3.004 675 I HA 0.796 4.966 4.170 0.001 0.000 0.305 675 I C -1.663 174.138 176.117 -0.527 0.000 1.312 675 I CA -0.984 59.723 61.300 -0.988 0.000 0.992 675 I CB 2.836 40.332 38.000 -0.840 0.000 1.282 675 I HN 0.508 nan 8.210 nan 0.000 0.449 676 E N 4.807 124.743 120.200 -0.440 0.000 2.260 676 E HA 0.642 4.992 4.350 0.001 0.000 0.266 676 E C -1.797 174.881 176.600 0.130 0.000 0.887 676 E CA -0.609 55.774 56.400 -0.028 0.000 0.777 676 E CB 2.638 32.347 29.700 0.016 0.000 1.205 676 E HN 0.755 nan 8.360 nan 0.000 0.414 677 I N -0.127 120.533 120.570 0.150 0.000 3.074 677 I HA 0.662 4.833 4.170 0.001 0.000 0.310 677 I C 0.988 177.231 176.117 0.210 0.000 1.153 677 I CA -0.894 60.528 61.300 0.204 0.000 0.993 677 I CB 1.691 39.834 38.000 0.239 0.000 1.237 677 I HN 0.464 nan 8.210 nan 0.000 0.443 678 A N 2.540 125.475 122.820 0.192 0.000 1.903 678 A HA -0.204 4.117 4.320 0.001 0.000 0.219 678 A C 2.112 179.809 177.584 0.189 0.000 1.191 678 A CA 2.316 54.459 52.037 0.177 0.000 0.638 678 A CB -0.790 18.295 19.000 0.143 0.000 0.823 678 A HN 0.865 nan 8.150 nan 0.000 0.451 679 K N -0.955 119.556 120.400 0.186 0.000 2.155 679 K HA -0.056 4.264 4.320 0.001 0.000 0.203 679 K C 0.789 177.581 176.600 0.319 0.000 1.052 679 K CA 1.323 57.725 56.287 0.192 0.000 0.948 679 K CB 0.001 32.589 32.500 0.147 0.000 0.728 679 K HN 0.794 nan 8.250 nan 0.000 0.448 680 R N -1.192 119.497 120.500 0.314 0.000 2.728 680 R HA 0.276 4.616 4.340 0.001 0.000 0.274 680 R C -1.732 174.686 176.300 0.195 0.000 1.030 680 R CA -1.153 55.121 56.100 0.291 0.000 0.876 680 R CB 0.656 31.132 30.300 0.294 0.000 1.259 680 R HN -0.064 nan 8.270 nan 0.000 0.468 681 Y N -0.806 119.411 120.300 -0.138 0.000 2.504 681 Y HA 0.665 5.216 4.550 0.001 0.000 0.344 681 Y C -1.215 174.587 175.900 -0.164 0.000 1.023 681 Y CA -1.500 56.493 58.100 -0.178 0.000 1.020 681 Y CB 1.549 39.861 38.460 -0.247 0.000 1.282 681 Y HN 0.523 nan 8.280 nan 0.000 0.454 682 I N 3.886 124.406 120.570 -0.084 0.000 2.388 682 I HA 0.664 4.834 4.170 0.001 0.000 0.281 682 I C -0.219 175.855 176.117 -0.072 0.000 1.046 682 I CA -0.816 60.424 61.300 -0.099 0.000 1.187 682 I CB 0.912 38.875 38.000 -0.061 0.000 1.351 682 I HN 0.860 nan 8.210 nan 0.000 0.472 683 A N 4.170 126.955 122.820 -0.059 0.000 2.305 683 A HA 0.678 4.998 4.320 0.001 0.000 0.322 683 A C 0.979 178.432 177.584 -0.218 0.000 1.187 683 A CA -0.122 51.712 52.037 -0.338 0.000 0.825 683 A CB 0.886 19.169 19.000 -1.195 0.000 1.164 683 A HN 1.021 nan 8.150 nan 0.000 0.498 684 G N 1.083 109.770 108.800 -0.189 0.000 2.395 684 G HA2 0.148 4.108 3.960 0.001 0.000 0.300 684 G HA3 0.148 4.108 3.960 0.001 0.000 0.300 684 G C 1.547 176.450 174.900 0.005 0.000 0.998 684 G CA 1.270 46.325 45.100 -0.074 0.000 1.046 684 G HN 2.758 nan 8.290 nan 0.000 0.513 685 G N -1.471 107.341 108.800 0.020 0.000 2.196 685 G HA2 -0.335 3.625 3.960 0.001 0.000 0.268 685 G HA3 -0.335 3.625 3.960 0.001 0.000 0.268 685 G C 0.708 175.740 174.900 0.219 0.000 0.975 685 G CA 1.470 46.631 45.100 0.102 0.000 0.648 685 G HN 0.922 nan 8.290 nan 0.000 0.538 686 K N -0.447 120.002 120.400 0.082 0.000 2.168 686 K HA 0.752 5.072 4.320 0.001 0.000 0.239 686 K C -0.206 176.093 176.600 -0.502 0.000 0.999 686 K CA -1.284 54.926 56.287 -0.128 0.000 0.900 686 K CB 1.737 34.086 32.500 -0.252 0.000 1.111 686 K HN 0.199 nan 8.250 nan 0.000 0.452 687 I N 0.847 120.811 120.570 -1.010 0.000 2.412 687 I HA 0.425 4.595 4.170 0.001 0.000 0.296 687 I C -1.431 173.791 176.117 -1.491 0.000 0.987 687 I CA -0.566 60.004 61.300 -1.217 0.000 1.180 687 I CB 0.479 37.650 38.000 -1.383 0.000 1.340 687 I HN 0.361 nan 8.210 nan 0.000 0.455 688 F N 6.827 126.060 119.950 -1.195 0.000 2.569 688 F HA 0.567 5.094 4.527 0.001 0.000 0.312 688 F C -1.099 173.926 175.800 -1.293 0.000 1.109 688 F CA -0.447 56.794 58.000 -1.266 0.000 0.919 688 F CB 1.636 39.602 39.000 -1.723 0.000 1.211 688 F HN 0.099 nan 8.300 nan 0.000 0.446 689 F N 1.634 121.485 119.950 -0.165 0.000 2.507 689 F HA 0.457 4.985 4.527 0.000 0.000 0.328 689 F C 0.304 176.182 175.800 0.129 0.000 1.136 689 F CA -1.174 56.819 58.000 -0.011 0.000 0.930 689 F CB 1.602 40.570 39.000 -0.053 0.000 1.166 689 F HN 0.389 nan 8.300 nan 0.000 0.436 690 R N 2.083 122.847 120.500 0.439 0.000 2.619 690 R HA 0.304 4.645 4.340 0.001 0.000 0.268 690 R C -0.191 176.182 176.300 0.121 0.000 0.990 690 R CA 0.417 56.711 56.100 0.324 0.000 1.092 690 R CB 0.475 30.856 30.300 0.134 0.000 0.935 690 R HN 0.802 nan 8.270 nan 0.000 0.415 691 A N 3.958 126.820 122.820 0.070 0.000 3.213 691 A HA 0.289 4.609 4.320 0.001 0.000 0.308 691 A C 0.589 178.104 177.584 -0.115 0.000 1.177 691 A CA -0.111 51.935 52.037 0.015 0.000 1.010 691 A CB 0.296 19.363 19.000 0.112 0.000 1.092 691 A HN 0.882 nan 8.150 nan 0.000 0.583 692 G N 0.218 108.886 108.800 -0.220 0.000 3.814 692 G HA2 0.415 4.376 3.960 0.001 0.000 0.293 692 G HA3 0.415 4.376 3.960 0.001 0.000 0.293 692 G C 0.095 174.792 174.900 -0.337 0.000 1.243 692 G CA -0.161 44.729 45.100 -0.350 0.000 1.053 692 G HN 0.523 nan 8.290 nan 0.000 0.562 693 I N 1.529 121.948 120.570 -0.252 0.000 2.396 693 I HA 0.071 4.241 4.170 0.001 0.000 0.289 693 I C 0.121 176.084 176.117 -0.257 0.000 1.056 693 I CA -0.539 60.666 61.300 -0.159 0.000 1.365 693 I CB 0.679 38.660 38.000 -0.031 0.000 1.407 693 I HN 0.088 nan 8.210 nan 0.000 0.509 694 N N 5.279 123.807 118.700 -0.286 0.000 2.518 694 N HA 0.066 4.806 4.740 0.001 0.000 0.266 694 N C 0.386 175.889 175.510 -0.012 0.000 1.196 694 N CA -0.321 52.582 53.050 -0.245 0.000 0.947 694 N CB 1.817 40.101 38.487 -0.338 0.000 1.098 694 N HN 0.433 nan 8.380 nan 0.000 0.450 695 L N 2.183 123.434 121.223 0.046 0.000 2.349 695 L HA 0.197 4.537 4.340 0.001 0.000 0.200 695 L C 1.782 178.701 176.870 0.082 0.000 1.064 695 L CA 1.033 55.928 54.840 0.091 0.000 0.821 695 L CB -0.251 41.898 42.059 0.151 0.000 1.027 695 L HN 0.514 nan 8.230 nan 0.000 0.476 696 L N -0.536 120.742 121.223 0.091 0.000 2.611 696 L HA 0.197 4.537 4.340 0.001 0.000 0.229 696 L C -0.315 176.611 176.870 0.094 0.000 1.137 696 L CA 0.067 54.959 54.840 0.086 0.000 0.901 696 L CB -0.193 41.928 42.059 0.104 0.000 1.098 696 L HN 0.217 nan 8.230 nan 0.000 0.456 697 N N 0.260 119.036 118.700 0.128 0.000 2.324 697 N HA 0.329 5.070 4.740 0.001 0.000 0.285 697 N C -1.279 174.433 175.510 0.336 0.000 1.076 697 N CA -0.424 52.750 53.050 0.206 0.000 0.864 697 N CB 1.888 40.517 38.487 0.237 0.000 1.632 697 N HN 0.041 nan 8.380 nan 0.000 0.478 698 N N -0.095 118.736 118.700 0.218 0.000 2.432 698 N HA 0.146 4.886 4.740 0.001 0.000 0.292 698 N C 1.072 176.362 175.510 -0.366 0.000 1.193 698 N CA -0.691 52.422 53.050 0.105 0.000 0.878 698 N CB 2.273 40.775 38.487 0.025 0.000 1.252 698 N HN 0.601 nan 8.380 nan 0.000 0.520 699 E N 0.908 120.718 120.200 -0.650 0.000 2.047 699 E HA -0.119 4.231 4.350 0.001 0.000 0.191 699 E C -0.195 176.156 176.600 -0.416 0.000 0.987 699 E CA 1.256 57.092 56.400 -0.941 0.000 0.799 699 E CB 0.288 29.647 29.700 -0.569 0.000 0.752 699 E HN 0.512 nan 8.360 nan 0.000 0.449 700 K N -0.959 119.316 120.400 -0.208 0.000 2.499 700 K HA 0.442 4.762 4.320 0.001 0.000 0.277 700 K C -1.067 175.499 176.600 -0.055 0.000 1.025 700 K CA -0.968 55.253 56.287 -0.111 0.000 0.900 700 K CB 1.103 33.555 32.500 -0.081 0.000 1.494 700 K HN -0.176 nan 8.250 nan 0.000 0.442 701 R N 0.355 120.835 120.500 -0.034 0.000 2.202 701 R HA 0.274 4.615 4.340 0.001 0.000 0.334 701 R C 0.469 176.765 176.300 -0.008 0.000 1.036 701 R CA -0.021 56.069 56.100 -0.018 0.000 0.878 701 R CB 1.344 31.637 30.300 -0.010 0.000 1.067 701 R HN 0.829 nan 8.270 nan 0.000 0.457 702 G N 1.129 109.926 108.800 -0.005 0.000 2.928 702 G HA2 -0.039 3.921 3.960 0.001 0.000 0.163 702 G HA3 -0.039 3.921 3.960 0.001 0.000 0.163 702 G C 0.260 175.159 174.900 -0.001 0.000 1.573 702 G CA 0.052 45.157 45.100 0.008 0.000 1.084 702 G HN 0.583 nan 8.290 nan 0.000 0.569 703 Q N -0.770 119.030 119.800 -0.001 0.000 2.043 703 Q HA 0.129 4.469 4.340 0.001 0.000 0.219 703 Q C 0.855 176.849 176.000 -0.010 0.000 0.762 703 Q CA 0.390 56.189 55.803 -0.007 0.000 0.943 703 Q CB -0.765 27.971 28.738 -0.003 0.000 1.194 703 Q HN 0.535 nan 8.270 nan 0.000 0.447 704 S N 1.765 117.455 115.700 -0.017 0.000 2.572 704 S HA 0.279 4.749 4.470 0.001 0.000 0.267 704 S C 0.793 175.385 174.600 -0.012 0.000 1.361 704 S CA 0.385 58.572 58.200 -0.020 0.000 1.009 704 S CB 0.593 63.758 63.200 -0.058 0.000 0.888 704 S HN 0.488 nan 8.310 nan 0.000 0.553 705 T N -0.875 113.685 114.554 0.009 0.000 2.833 705 T HA 0.298 4.648 4.350 0.001 0.000 0.292 705 T C 1.078 175.805 174.700 0.045 0.000 1.031 705 T CA -0.409 61.709 62.100 0.030 0.000 0.937 705 T CB 0.142 69.034 68.868 0.040 0.000 1.256 705 T HN 0.671 nan 8.240 nan 0.000 0.551 706 Q N -0.829 119.026 119.800 0.092 0.000 2.049 706 Q HA -0.015 4.325 4.340 0.001 0.000 0.198 706 Q C 2.058 178.127 176.000 0.114 0.000 0.971 706 Q CA 1.340 57.179 55.803 0.060 0.000 0.833 706 Q CB -0.254 28.531 28.738 0.078 0.000 0.896 706 Q HN 0.767 nan 8.270 nan 0.000 0.434 707 W N 1.781 123.033 121.300 -0.081 0.000 2.304 707 W HA -0.223 4.437 4.660 0.000 0.000 0.315 707 W C 1.650 178.137 176.519 -0.053 0.000 1.233 707 W CA 1.620 58.924 57.345 -0.068 0.000 1.261 707 W CB -0.825 28.595 29.460 -0.068 0.000 1.150 707 W HN 0.245 nan 8.180 nan 0.000 0.494 708 D N -0.958 119.557 120.400 0.192 0.000 2.158 708 D HA -0.219 4.422 4.640 0.001 0.000 0.197 708 D C 2.072 178.356 176.300 -0.027 0.000 0.995 708 D CA 1.721 55.761 54.000 0.067 0.000 0.846 708 D CB -0.460 40.354 40.800 0.024 0.000 0.941 708 D HN 0.306 nan 8.370 nan 0.000 0.456 709 Q N -0.215 119.554 119.800 -0.051 0.000 2.172 709 Q HA 0.008 4.348 4.340 0.001 0.000 0.200 709 Q C 2.241 178.182 176.000 -0.098 0.000 0.964 709 Q CA 0.942 56.680 55.803 -0.109 0.000 0.855 709 Q CB -0.034 28.630 28.738 -0.124 0.000 0.918 709 Q HN 0.282 nan 8.270 nan 0.000 0.444 710 A N 1.613 124.375 122.820 -0.097 0.000 1.865 710 A HA -0.179 4.141 4.320 0.001 0.000 0.217 710 A C 2.365 179.920 177.584 -0.048 0.000 1.191 710 A CA 1.813 53.771 52.037 -0.132 0.000 0.623 710 A CB -0.921 17.942 19.000 -0.227 0.000 0.826 710 A HN 0.392 nan 8.150 nan 0.000 0.444 711 A N -0.209 122.613 122.820 0.003 0.000 1.940 711 A HA -0.124 4.197 4.320 0.001 0.000 0.219 711 A C 2.120 179.756 177.584 0.086 0.000 1.176 711 A CA 1.659 53.752 52.037 0.092 0.000 0.631 711 A CB -0.661 18.402 19.000 0.105 0.000 0.814 711 A HN 0.535 nan 8.150 nan 0.000 0.446 712 I N -0.830 119.731 120.570 -0.014 0.000 2.315 712 I HA -0.187 3.984 4.170 0.001 0.000 0.248 712 I C 2.411 178.532 176.117 0.006 0.000 1.117 712 I CA 0.862 62.130 61.300 -0.053 0.000 1.404 712 I CB -0.350 37.507 38.000 -0.240 0.000 1.071 712 I HN 0.401 nan 8.210 nan 0.000 0.419 713 L N 0.949 122.170 121.223 -0.002 0.000 1.955 713 L HA -0.291 4.050 4.340 0.001 0.000 0.213 713 L C 2.547 179.460 176.870 0.072 0.000 1.072 713 L CA 2.094 56.940 54.840 0.011 0.000 0.755 713 L CB -1.387 40.641 42.059 -0.053 0.000 0.888 713 L HN 0.230 nan 8.230 nan 0.000 0.432 714 Y N 0.026 120.310 120.300 -0.027 0.000 2.102 714 Y HA -0.336 4.214 4.550 0.001 0.000 0.280 714 Y C 3.024 179.015 175.900 0.153 0.000 1.178 714 Y CA 2.365 60.493 58.100 0.047 0.000 1.146 714 Y CB -0.859 37.614 38.460 0.021 0.000 0.968 714 Y HN 0.456 nan 8.280 nan 0.000 0.504 715 S N 0.214 115.952 115.700 0.063 0.000 2.365 715 S HA -0.256 4.214 4.470 0.001 0.000 0.225 715 S C 1.937 176.502 174.600 -0.058 0.000 1.039 715 S CA 1.895 60.072 58.200 -0.038 0.000 1.033 715 S CB -0.564 62.653 63.200 0.027 0.000 0.887 715 S HN 0.665 nan 8.310 nan 0.000 0.447 716 N N 0.168 118.882 118.700 0.023 0.000 2.149 716 N HA -0.115 4.625 4.740 0.001 0.000 0.188 716 N C 1.485 177.026 175.510 0.052 0.000 1.019 716 N CA 1.562 54.641 53.050 0.049 0.000 0.857 716 N CB -0.781 37.757 38.487 0.084 0.000 0.997 716 N HN 0.740 nan 8.380 nan 0.000 0.426 717 Y N 1.709 121.942 120.300 -0.111 0.000 2.114 717 Y HA -0.134 4.417 4.550 0.000 0.000 0.284 717 Y C 2.101 177.914 175.900 -0.146 0.000 1.143 717 Y CA 1.277 59.310 58.100 -0.111 0.000 1.135 717 Y CB -0.482 37.869 38.460 -0.182 0.000 0.980 717 Y HN -0.133 nan 8.280 nan 0.000 0.499 718 I N 0.075 120.330 120.570 -0.524 0.000 2.091 718 I HA -0.310 3.861 4.170 0.001 0.000 0.239 718 I C 2.537 178.535 176.117 -0.200 0.000 1.061 718 I CA 1.611 62.613 61.300 -0.495 0.000 1.317 718 I CB -1.625 36.149 38.000 -0.377 0.000 1.031 718 I HN 0.237 nan 8.210 nan 0.000 0.401 719 V N 1.552 121.396 119.914 -0.117 0.000 2.282 719 V HA -0.321 3.799 4.120 0.001 0.000 0.249 719 V C 2.360 178.432 176.094 -0.037 0.000 1.057 719 V CA 2.051 64.315 62.300 -0.061 0.000 1.032 719 V CB -0.867 30.930 31.823 -0.042 0.000 0.645 719 V HN 0.429 nan 8.190 nan 0.000 0.447 720 N N 0.031 118.721 118.700 -0.017 0.000 2.025 720 N HA -0.214 4.526 4.740 0.001 0.000 0.194 720 N C 1.960 177.500 175.510 0.050 0.000 1.044 720 N CA 1.950 55.037 53.050 0.061 0.000 0.851 720 N CB -0.522 38.072 38.487 0.179 0.000 1.036 720 N HN 0.421 nan 8.380 nan 0.000 0.422 721 R N 0.837 121.297 120.500 -0.066 0.000 2.112 721 R HA -0.066 4.274 4.340 0.001 0.000 0.242 721 R C 2.280 178.575 176.300 -0.008 0.000 1.137 721 R CA 1.268 57.314 56.100 -0.091 0.000 0.944 721 R CB -0.450 29.661 30.300 -0.316 0.000 0.857 721 R HN 0.209 nan 8.270 nan 0.000 0.435 722 L N -0.408 120.811 121.223 -0.007 0.000 2.131 722 L HA -0.153 4.188 4.340 0.001 0.000 0.210 722 L C 2.521 179.384 176.870 -0.013 0.000 1.092 722 L CA 1.425 56.241 54.840 -0.040 0.000 0.759 722 L CB -0.280 41.733 42.059 -0.076 0.000 0.903 722 L HN 0.206 nan 8.230 nan 0.000 0.435 723 R N -0.463 120.056 120.500 0.031 0.000 2.236 723 R HA 0.032 4.373 4.340 0.001 0.000 0.208 723 R C 1.193 177.565 176.300 0.120 0.000 1.036 723 R CA 0.747 56.900 56.100 0.090 0.000 1.001 723 R CB 0.179 30.544 30.300 0.109 0.000 0.896 723 R HN 0.470 nan 8.270 nan 0.000 0.464 724 G N -0.496 108.372 108.800 0.113 0.000 2.173 724 G HA2 -0.209 3.751 3.960 0.001 0.000 0.142 724 G HA3 -0.209 3.751 3.960 0.001 0.000 0.142 724 G C -0.447 174.575 174.900 0.203 0.000 1.019 724 G CA -0.669 44.518 45.100 0.146 0.000 0.699 724 G HN 0.237 nan 8.290 nan 0.000 0.495 725 F N 1.809 121.748 119.950 -0.019 0.000 2.553 725 F HA 0.679 5.206 4.527 0.000 0.000 0.335 725 F C -0.426 175.324 175.800 -0.083 0.000 1.148 725 F CA -0.922 57.015 58.000 -0.104 0.000 0.963 725 F CB 1.492 40.334 39.000 -0.263 0.000 1.217 725 F HN 0.062 nan 8.300 nan 0.000 0.441 726 E N 4.760 124.777 120.200 -0.305 0.000 2.133 726 E HA 0.337 4.687 4.350 0.001 0.000 0.274 726 E C -1.102 175.395 176.600 -0.171 0.000 0.930 726 E CA -0.523 55.800 56.400 -0.128 0.000 0.770 726 E CB 1.452 31.126 29.700 -0.044 0.000 1.104 726 E HN 0.579 nan 8.360 nan 0.000 0.403 727 T N 4.087 118.663 114.554 0.036 0.000 2.799 727 T HA 0.043 4.393 4.350 0.001 0.000 0.286 727 T C -0.331 174.455 174.700 0.143 0.000 0.973 727 T CA -0.574 61.527 62.100 0.001 0.000 1.035 727 T CB 0.947 69.906 68.868 0.153 0.000 0.932 727 T HN 0.474 nan 8.240 nan 0.000 0.469 728 D N 1.943 122.344 120.400 0.000 0.000 2.581 728 D HA -0.077 4.563 4.640 0.001 0.000 0.238 728 D C 1.274 177.600 176.300 0.044 0.000 1.145 728 D CA 0.294 54.328 54.000 0.057 0.000 0.866 728 D CB 0.554 41.165 40.800 -0.316 0.000 1.151 728 D HN 0.520 nan 8.370 nan 0.000 0.500 729 R N 3.273 123.818 120.500 0.076 0.000 2.152 729 R HA -0.137 4.204 4.340 0.001 0.000 0.232 729 R C 1.653 177.909 176.300 -0.073 0.000 1.117 729 R CA 1.159 57.193 56.100 -0.111 0.000 0.981 729 R CB 0.184 30.506 30.300 0.035 0.000 0.870 729 R HN 0.573 nan 8.270 nan 0.000 0.451 730 E N -0.616 119.623 120.200 0.066 0.000 2.150 730 E HA -0.209 4.142 4.350 0.001 0.000 0.193 730 E C 1.517 178.173 176.600 0.094 0.000 0.985 730 E CA 1.118 57.599 56.400 0.135 0.000 0.814 730 E CB -0.113 29.790 29.700 0.338 0.000 0.752 730 E HN 0.294 nan 8.360 nan 0.000 0.466 731 F N 1.509 121.379 119.950 -0.133 0.000 2.113 731 F HA -0.184 4.344 4.527 0.001 0.000 0.297 731 F C 1.940 177.614 175.800 -0.210 0.000 1.103 731 F CA 1.003 58.896 58.000 -0.178 0.000 1.248 731 F CB -0.101 38.728 39.000 -0.284 0.000 0.999 731 F HN -0.086 nan 8.300 nan 0.000 0.475 732 I N 0.648 121.007 120.570 -0.353 0.000 2.163 732 I HA -0.317 3.853 4.170 0.001 0.000 0.243 732 I C 2.569 178.388 176.117 -0.497 0.000 1.085 732 I CA 1.490 62.484 61.300 -0.509 0.000 1.347 732 I CB -1.583 36.044 38.000 -0.622 0.000 1.044 732 I HN 0.258 nan 8.210 nan 0.000 0.408 733 L N 0.163 121.144 121.223 -0.402 0.000 2.131 733 L HA -0.208 4.133 4.340 0.001 0.000 0.210 733 L C 2.549 179.194 176.870 -0.375 0.000 1.092 733 L CA 1.404 56.037 54.840 -0.345 0.000 0.759 733 L CB -0.847 41.105 42.059 -0.178 0.000 0.903 733 L HN 0.294 nan 8.230 nan 0.000 0.435 734 T N -1.008 113.289 114.554 -0.429 0.000 2.737 734 T HA -0.127 4.224 4.350 0.001 0.000 0.265 734 T C 1.944 176.282 174.700 -0.602 0.000 1.038 734 T CA 0.801 62.553 62.100 -0.580 0.000 1.144 734 T CB -0.038 68.561 68.868 -0.448 0.000 0.866 734 T HN 0.120 nan 8.240 nan 0.000 0.434 735 K N 1.217 121.244 120.400 -0.620 0.000 2.063 735 K HA 0.044 4.364 4.320 0.001 0.000 0.208 735 K C 2.197 178.567 176.600 -0.384 0.000 1.048 735 K CA 1.092 57.067 56.287 -0.520 0.000 0.928 735 K CB -0.829 31.314 32.500 -0.595 0.000 0.713 735 K HN 0.401 nan 8.250 nan 0.000 0.442 736 I N 0.639 120.983 120.570 -0.377 0.000 2.286 736 I HA -0.261 3.909 4.170 0.001 0.000 0.248 736 I C 2.421 178.408 176.117 -0.217 0.000 1.115 736 I CA 1.016 62.132 61.300 -0.307 0.000 1.392 736 I CB -0.185 37.600 38.000 -0.359 0.000 1.065 736 I HN 0.129 nan 8.210 nan 0.000 0.418 737 M N -0.371 119.091 119.600 -0.230 0.000 2.117 737 M HA -0.250 4.230 4.480 0.001 0.000 0.262 737 M C 2.315 178.604 176.300 -0.018 0.000 1.065 737 M CA 1.899 57.104 55.300 -0.159 0.000 1.114 737 M CB -0.320 31.957 32.600 -0.538 0.000 1.361 737 M HN 0.236 nan 8.290 nan 0.000 0.408 738 Q N -0.022 119.685 119.800 -0.156 0.000 1.965 738 Q HA -0.115 4.226 4.340 0.001 0.000 0.200 738 Q C 2.059 178.038 176.000 -0.036 0.000 0.981 738 Q CA 1.620 57.414 55.803 -0.014 0.000 0.834 738 Q CB -0.193 28.485 28.738 -0.098 0.000 0.900 738 Q HN 0.509 nan 8.270 nan 0.000 0.426 739 M N 0.457 119.969 119.600 -0.145 0.000 2.195 739 M HA -0.143 4.337 4.480 0.001 0.000 0.260 739 M C 2.117 178.299 176.300 -0.197 0.000 1.066 739 M CA 1.747 56.944 55.300 -0.171 0.000 1.089 739 M CB -0.603 31.863 32.600 -0.223 0.000 1.377 739 M HN 0.328 nan 8.290 nan 0.000 0.411 740 T N -2.250 112.099 114.554 -0.341 0.000 3.129 740 T HA 0.102 4.452 4.350 0.001 0.000 0.251 740 T C 0.921 175.529 174.700 -0.153 0.000 1.117 740 T CA 0.085 61.779 62.100 -0.676 0.000 1.034 740 T CB -0.507 67.645 68.868 -1.193 0.000 0.968 740 T HN 0.395 nan 8.240 nan 0.000 0.526 741 S N 0.784 116.434 115.700 -0.082 0.000 2.596 741 S HA 0.496 4.967 4.470 0.001 0.000 0.260 741 S C -0.260 174.310 174.600 -0.050 0.000 1.336 741 S CA -0.726 57.363 58.200 -0.185 0.000 0.993 741 S CB 0.983 63.855 63.200 -0.546 0.000 0.923 741 S HN 0.212 nan 8.310 nan 0.000 0.567 742 V N 1.095 120.930 119.914 -0.131 0.000 2.567 742 V HA 0.628 4.749 4.120 0.001 0.000 0.298 742 V C 0.136 176.173 176.094 -0.095 0.000 1.047 742 V CA -0.680 61.589 62.300 -0.052 0.000 0.880 742 V CB 1.210 33.029 31.823 -0.007 0.000 1.009 742 V HN 1.224 nan 8.190 nan 0.000 0.429 743 A N 4.502 127.283 122.820 -0.065 0.000 2.409 743 A HA 0.635 4.956 4.320 0.001 0.000 0.267 743 A C 0.636 178.211 177.584 -0.015 0.000 1.127 743 A CA 0.024 52.032 52.037 -0.047 0.000 0.795 743 A CB 0.243 19.225 19.000 -0.031 0.000 1.061 743 A HN 0.737 nan 8.150 nan 0.000 0.502 744 I N 1.598 122.170 120.570 0.004 0.000 2.494 744 I HA 0.043 4.213 4.170 0.001 0.000 0.250 744 I C 1.614 177.751 176.117 0.033 0.000 1.112 744 I CA 2.159 63.471 61.300 0.020 0.000 1.438 744 I CB -0.169 37.851 38.000 0.033 0.000 1.111 744 I HN 0.836 nan 8.210 nan 0.000 0.431 745 T N -4.264 110.323 114.554 0.055 0.000 2.654 745 T HA 0.478 4.828 4.350 0.001 0.000 0.289 745 T C 1.091 175.844 174.700 0.089 0.000 1.062 745 T CA -0.171 61.971 62.100 0.070 0.000 1.041 745 T CB 0.641 69.564 68.868 0.092 0.000 1.417 745 T HN 0.019 nan 8.240 nan 0.000 0.510 746 G N 0.231 109.093 108.800 0.104 0.000 2.448 746 G HA2 -0.020 3.940 3.960 0.001 0.000 0.219 746 G HA3 -0.020 3.940 3.960 0.001 0.000 0.219 746 G C 1.428 176.436 174.900 0.181 0.000 1.127 746 G CA 1.309 46.481 45.100 0.120 0.000 0.766 746 G HN 1.109 nan 8.290 nan 0.000 0.552 747 S N -1.312 114.507 115.700 0.198 0.000 2.539 747 S HA 0.311 4.781 4.470 0.001 0.000 0.226 747 S C 0.758 175.494 174.600 0.226 0.000 1.054 747 S CA -0.447 57.886 58.200 0.220 0.000 0.910 747 S CB 0.079 63.495 63.200 0.361 0.000 0.818 747 S HN 0.154 nan 8.310 nan 0.000 0.490 748 L N 2.958 124.325 121.223 0.240 0.000 2.261 748 L HA 0.531 4.871 4.340 0.001 0.000 0.289 748 L C -0.310 176.616 176.870 0.093 0.000 1.059 748 L CA -0.567 54.397 54.840 0.207 0.000 0.816 748 L CB 0.753 42.919 42.059 0.177 0.000 1.191 748 L HN 0.220 nan 8.230 nan 0.000 0.431 749 R N 4.689 125.224 120.500 0.058 0.000 2.494 749 R HA 0.487 4.827 4.340 0.001 0.000 0.305 749 R C -1.583 174.655 176.300 -0.102 0.000 0.959 749 R CA -0.842 55.216 56.100 -0.071 0.000 0.864 749 R CB 1.678 31.902 30.300 -0.126 0.000 1.159 749 R HN 0.534 nan 8.270 nan 0.000 0.446 750 L N 5.059 126.171 121.223 -0.186 0.000 2.282 750 L HA 0.483 4.824 4.340 0.001 0.000 0.288 750 L C -1.621 175.097 176.870 -0.253 0.000 1.033 750 L CA -0.127 54.654 54.840 -0.099 0.000 0.807 750 L CB 1.008 43.062 42.059 -0.009 0.000 1.209 750 L HN 0.548 nan 8.230 nan 0.000 0.423 751 F N 6.234 126.251 119.950 0.111 0.000 2.402 751 F HA 0.514 5.041 4.527 0.000 0.000 0.355 751 F C -1.933 173.933 175.800 0.109 0.000 1.123 751 F CA -2.127 55.934 58.000 0.102 0.000 1.021 751 F CB 1.113 40.173 39.000 0.099 0.000 1.160 751 F HN 0.438 nan 8.300 nan 0.000 0.451 752 P HA 0.060 nan 4.420 nan 0.000 0.268 752 P C -0.378 177.054 177.300 0.220 0.000 1.204 752 P CA -0.114 63.106 63.100 0.201 0.000 0.768 752 P CB 0.733 32.506 31.700 0.121 0.000 0.842 753 S N 1.442 117.257 115.700 0.192 0.000 2.632 753 S HA 0.099 4.569 4.470 0.001 0.000 0.267 753 S C 1.381 176.037 174.600 0.094 0.000 1.276 753 S CA -0.406 57.910 58.200 0.192 0.000 0.998 753 S CB 0.719 64.006 63.200 0.145 0.000 0.953 753 S HN 0.582 nan 8.310 nan 0.000 0.547 754 E N 0.661 120.921 120.200 0.100 0.000 2.130 754 E HA -0.281 4.069 4.350 0.001 0.000 0.196 754 E C 2.055 178.559 176.600 -0.161 0.000 0.998 754 E CA 1.295 57.608 56.400 -0.146 0.000 0.806 754 E CB -0.119 29.590 29.700 0.015 0.000 0.738 754 E HN 0.663 nan 8.360 nan 0.000 0.459 755 R N 0.494 120.991 120.500 -0.006 0.000 2.081 755 R HA -0.102 4.239 4.340 0.001 0.000 0.235 755 R C 2.180 178.513 176.300 0.055 0.000 1.131 755 R CA 1.671 57.797 56.100 0.043 0.000 0.960 755 R CB -0.915 29.490 30.300 0.175 0.000 0.856 755 R HN 0.158 nan 8.270 nan 0.000 0.436 756 V N 0.722 120.700 119.914 0.106 0.000 2.295 756 V HA -0.210 3.910 4.120 0.001 0.000 0.246 756 V C 2.260 178.294 176.094 -0.100 0.000 1.049 756 V CA 1.953 64.318 62.300 0.109 0.000 1.024 756 V CB -0.419 31.512 31.823 0.181 0.000 0.648 756 V HN 0.283 nan 8.190 nan 0.000 0.447 757 L N 0.124 121.235 121.223 -0.187 0.000 2.418 757 L HA -0.030 4.311 4.340 0.001 0.000 0.218 757 L C 2.358 178.926 176.870 -0.503 0.000 1.125 757 L CA 1.542 56.196 54.840 -0.310 0.000 0.835 757 L CB -0.500 41.345 42.059 -0.356 0.000 0.953 757 L HN 0.580 nan 8.230 nan 0.000 0.454 758 T N -6.344 107.866 114.554 -0.573 0.000 2.990 758 T HA 0.019 4.369 4.350 0.001 0.000 0.249 758 T C 1.050 175.480 174.700 -0.450 0.000 1.039 758 T CA -0.021 61.651 62.100 -0.713 0.000 1.036 758 T CB -0.072 68.266 68.868 -0.883 0.000 0.994 758 T HN 0.024 nan 8.240 nan 0.000 0.489 759 T N 2.592 116.988 114.554 -0.263 0.000 2.903 759 T HA 0.066 4.417 4.350 0.001 0.000 0.314 759 T C 0.363 174.962 174.700 -0.169 0.000 1.078 759 T CA -0.262 61.745 62.100 -0.154 0.000 1.114 759 T CB -0.118 68.750 68.868 0.001 0.000 0.987 759 T HN 0.461 nan 8.240 nan 0.000 0.548 760 N N 2.787 121.412 118.700 -0.125 0.000 3.027 760 N HA 0.055 4.795 4.740 0.001 0.000 0.309 760 N C 0.064 175.563 175.510 -0.018 0.000 1.222 760 N CA -0.557 52.439 53.050 -0.090 0.000 1.187 760 N CB -0.088 38.433 38.487 0.057 0.000 1.458 760 N HN 0.614 nan 8.380 nan 0.000 0.535 761 S N -0.202 115.466 115.700 -0.053 0.000 2.776 761 S HA 0.247 4.717 4.470 0.001 0.000 0.306 761 S C 1.334 175.864 174.600 -0.117 0.000 1.114 761 S CA -0.474 57.698 58.200 -0.047 0.000 0.973 761 S CB 1.033 64.227 63.200 -0.011 0.000 1.250 761 S HN 0.293 nan 8.310 nan 0.000 0.549 762 T N -2.231 112.179 114.554 -0.240 0.000 3.148 762 T HA 0.261 4.611 4.350 0.001 0.000 0.253 762 T C 0.218 174.641 174.700 -0.462 0.000 1.134 762 T CA 0.383 62.253 62.100 -0.383 0.000 1.051 762 T CB -0.880 67.651 68.868 -0.562 0.000 0.959 762 T HN 0.553 nan 8.240 nan 0.000 0.525 763 F N 0.735 120.579 119.950 -0.176 0.000 2.805 763 F HA 0.419 4.947 4.527 0.001 0.000 0.317 763 F C 0.667 176.440 175.800 -0.044 0.000 1.146 763 F CA -1.303 56.611 58.000 -0.143 0.000 1.265 763 F CB 0.653 39.410 39.000 -0.405 0.000 0.992 763 F HN -0.037 nan 8.300 nan 0.000 0.511 764 K N 1.167 121.613 120.400 0.077 0.000 2.322 764 K HA 0.304 4.624 4.320 0.001 0.000 0.283 764 K C 0.473 177.120 176.600 0.078 0.000 1.042 764 K CA -0.017 56.252 56.287 -0.029 0.000 0.958 764 K CB 1.466 33.873 32.500 -0.156 0.000 0.984 764 K HN 0.101 nan 8.250 nan 0.000 0.473 765 V N 5.054 124.961 119.914 -0.010 0.000 3.151 765 V HA 0.181 4.301 4.120 0.001 0.000 0.241 765 V C -0.067 176.118 176.094 0.151 0.000 1.173 765 V CA 0.414 62.765 62.300 0.084 0.000 1.154 765 V CB -0.269 31.544 31.823 -0.017 0.000 0.898 765 V HN 0.815 nan 8.190 nan 0.000 0.473 766 F N -2.199 117.565 119.950 -0.311 0.000 2.741 766 F HA 0.617 5.145 4.527 0.001 0.000 0.313 766 F C -1.679 173.801 175.800 -0.533 0.000 1.153 766 F CA -1.277 56.362 58.000 -0.602 0.000 0.931 766 F CB 0.936 39.139 39.000 -1.328 0.000 1.335 766 F HN -0.226 nan 8.300 nan 0.000 0.460 767 D N 1.532 121.658 120.400 -0.458 0.000 2.295 767 D HA 0.166 4.806 4.640 0.001 0.000 0.248 767 D C 0.599 176.705 176.300 -0.323 0.000 1.154 767 D CA 0.037 53.807 54.000 -0.384 0.000 0.857 767 D CB 1.935 42.698 40.800 -0.061 0.000 1.117 767 D HN 0.673 nan 8.370 nan 0.000 0.468 768 S N 1.782 117.211 115.700 -0.451 0.000 2.512 768 S HA -0.203 4.267 4.470 0.001 0.000 0.253 768 S C 0.770 175.365 174.600 -0.008 0.000 0.984 768 S CA 1.160 59.216 58.200 -0.240 0.000 0.962 768 S CB -0.021 63.048 63.200 -0.218 0.000 0.747 768 S HN 0.491 nan 8.310 nan 0.000 0.525 769 E N 0.910 121.113 120.200 0.005 0.000 2.349 769 E HA 0.227 4.577 4.350 0.001 0.000 0.290 769 E C -2.000 174.626 176.600 0.043 0.000 0.901 769 E CA -0.573 55.856 56.400 0.048 0.000 0.800 769 E CB 0.726 30.441 29.700 0.026 0.000 1.303 769 E HN -0.139 nan 8.360 nan 0.000 0.397 770 D N 4.027 124.429 120.400 0.004 0.000 2.583 770 D HA 0.004 4.644 4.640 0.001 0.000 0.232 770 D C 0.196 176.312 176.300 -0.307 0.000 1.128 770 D CA 0.965 54.793 54.000 -0.287 0.000 0.859 770 D CB -0.022 40.375 40.800 -0.672 0.000 1.169 770 D HN 0.540 nan 8.370 nan 0.000 0.481 771 F N -1.061 118.959 119.950 0.117 0.000 2.840 771 F HA -0.256 4.271 4.527 0.000 0.000 0.310 771 F C 0.305 176.162 175.800 0.095 0.000 0.688 771 F CA 0.073 58.105 58.000 0.053 0.000 1.286 771 F CB -2.125 36.926 39.000 0.086 0.000 1.612 771 F HN 0.335 nan 8.300 nan 0.000 0.335 772 I N 1.289 121.981 120.570 0.203 0.000 2.500 772 I HA 0.376 4.547 4.170 0.001 0.000 0.286 772 I C -0.163 175.996 176.117 0.070 0.000 1.063 772 I CA -0.508 60.908 61.300 0.193 0.000 1.062 772 I CB 1.682 39.767 38.000 0.141 0.000 1.223 772 I HN -0.100 nan 8.210 nan 0.000 0.435 773 I N 6.327 126.947 120.570 0.083 0.000 2.307 773 I HA 0.246 4.416 4.170 0.001 0.000 0.287 773 I C 0.285 176.210 176.117 -0.320 0.000 1.054 773 I CA -0.584 60.625 61.300 -0.151 0.000 1.218 773 I CB 0.471 38.406 38.000 -0.110 0.000 1.398 773 I HN 0.461 nan 8.210 nan 0.000 0.475 774 E N 5.258 125.248 120.200 -0.350 0.000 2.342 774 E HA 0.401 4.752 4.350 0.001 0.000 0.257 774 E C -1.236 175.031 176.600 -0.555 0.000 1.150 774 E CA -0.228 56.001 56.400 -0.286 0.000 0.926 774 E CB 1.134 30.745 29.700 -0.148 0.000 1.074 774 E HN 0.300 nan 8.360 nan 0.000 0.449 775 Y N -1.751 118.568 120.300 0.032 0.000 2.504 775 Y HA 0.335 4.885 4.550 0.001 0.000 0.344 775 Y C 0.676 176.602 175.900 0.043 0.000 1.023 775 Y CA -1.045 57.074 58.100 0.031 0.000 1.020 775 Y CB 1.880 40.378 38.460 0.063 0.000 1.282 775 Y HN 0.570 nan 8.280 nan 0.000 0.454 776 G N 0.775 109.689 108.800 0.189 0.000 2.151 776 G HA2 0.227 4.187 3.960 0.001 0.000 0.269 776 G HA3 0.227 4.187 3.960 0.001 0.000 0.269 776 G C 0.612 175.593 174.900 0.135 0.000 1.069 776 G CA 0.487 45.669 45.100 0.137 0.000 1.080 776 G HN 0.789 nan 8.290 nan 0.000 0.405 777 T N -0.888 113.737 114.554 0.118 0.000 3.129 777 T HA 0.344 4.695 4.350 0.001 0.000 0.267 777 T C 0.931 175.683 174.700 0.086 0.000 1.018 777 T CA 0.322 62.488 62.100 0.109 0.000 0.903 777 T CB 0.225 69.164 68.868 0.120 0.000 1.067 777 T HN 0.758 nan 8.240 nan 0.000 0.549 778 T N -1.797 112.808 114.554 0.086 0.000 2.907 778 T HA 0.618 4.969 4.350 0.001 0.000 0.290 778 T C 1.202 175.954 174.700 0.088 0.000 1.066 778 T CA -0.490 61.654 62.100 0.073 0.000 1.012 778 T CB 1.667 70.572 68.868 0.062 0.000 1.184 778 T HN -0.160 nan 8.240 nan 0.000 0.522 779 V N 0.938 120.898 119.914 0.076 0.000 2.244 779 V HA -0.109 4.011 4.120 0.001 0.000 0.244 779 V C 2.527 178.709 176.094 0.146 0.000 1.042 779 V CA 1.915 64.274 62.300 0.098 0.000 1.006 779 V CB -0.873 30.991 31.823 0.069 0.000 0.641 779 V HN 0.900 nan 8.190 nan 0.000 0.446 780 D N 0.016 120.479 120.400 0.105 0.000 2.149 780 D HA -0.214 4.426 4.640 0.001 0.000 0.194 780 D C 2.241 178.732 176.300 0.319 0.000 1.001 780 D CA 1.679 55.779 54.000 0.168 0.000 0.849 780 D CB -0.189 40.605 40.800 -0.009 0.000 0.939 780 D HN 0.587 nan 8.370 nan 0.000 0.449 781 E N -0.042 120.286 120.200 0.213 0.000 2.058 781 E HA -0.132 4.218 4.350 0.001 0.000 0.194 781 E C 2.333 179.053 176.600 0.200 0.000 0.997 781 E CA 0.752 57.275 56.400 0.206 0.000 0.801 781 E CB 0.116 29.898 29.700 0.137 0.000 0.746 781 E HN 0.113 nan 8.360 nan 0.000 0.450 782 V N 0.846 120.868 119.914 0.179 0.000 2.295 782 V HA -0.290 3.830 4.120 0.001 0.000 0.246 782 V C 2.015 178.208 176.094 0.164 0.000 1.049 782 V CA 2.023 64.412 62.300 0.148 0.000 1.024 782 V CB -0.745 31.156 31.823 0.130 0.000 0.648 782 V HN 0.312 nan 8.190 nan 0.000 0.447 783 Y N 0.400 120.751 120.300 0.085 0.000 1.956 783 Y HA -0.334 4.217 4.550 0.001 0.000 0.258 783 Y C 2.502 178.385 175.900 -0.029 0.000 1.152 783 Y CA 2.243 60.385 58.100 0.070 0.000 1.093 783 Y CB -0.472 38.084 38.460 0.160 0.000 0.945 783 Y HN 0.071 nan 8.280 nan 0.000 0.488 784 I N 1.044 121.719 120.570 0.175 0.000 2.145 784 I HA -0.398 3.772 4.170 0.001 0.000 0.244 784 I C 2.370 178.377 176.117 -0.183 0.000 1.075 784 I CA 1.918 63.110 61.300 -0.180 0.000 1.332 784 I CB -1.330 36.689 38.000 0.032 0.000 1.033 784 I HN 0.569 nan 8.210 nan 0.000 0.410 785 Q N -0.291 119.530 119.800 0.035 0.000 2.077 785 Q HA -0.238 4.102 4.340 0.001 0.000 0.206 785 Q C 2.306 178.273 176.000 -0.056 0.000 0.989 785 Q CA 1.712 57.557 55.803 0.069 0.000 0.853 785 Q CB -0.228 28.556 28.738 0.077 0.000 0.907 785 Q HN 0.512 nan 8.270 nan 0.000 0.418 786 R N -0.075 120.349 120.500 -0.127 0.000 2.148 786 R HA -0.073 4.267 4.340 0.001 0.000 0.227 786 R C 2.194 178.249 176.300 -0.408 0.000 1.103 786 R CA 0.908 56.896 56.100 -0.186 0.000 0.983 786 R CB -0.223 30.006 30.300 -0.119 0.000 0.874 786 R HN 0.207 nan 8.270 nan 0.000 0.451 787 A N 0.726 123.163 122.820 -0.639 0.000 1.872 787 A HA -0.114 4.206 4.320 0.001 0.000 0.214 787 A C 1.756 178.778 177.584 -0.937 0.000 1.187 787 A CA 1.008 52.330 52.037 -1.193 0.000 0.614 787 A CB -0.493 17.816 19.000 -1.153 0.000 0.826 787 A HN 0.138 nan 8.150 nan 0.000 0.442 788 F N -0.497 119.197 119.950 -0.427 0.000 2.102 788 F HA -0.171 4.356 4.527 0.001 0.000 0.298 788 F C 2.500 178.090 175.800 -0.350 0.000 1.105 788 F CA 1.564 59.398 58.000 -0.277 0.000 1.239 788 F CB -0.734 38.191 39.000 -0.124 0.000 0.991 788 F HN 0.191 nan 8.300 nan 0.000 0.474 789 M N -0.434 119.090 119.600 -0.128 0.000 2.143 789 M HA -0.298 4.182 4.480 0.001 0.000 0.258 789 M C 2.556 178.752 176.300 -0.173 0.000 1.071 789 M CA 2.047 57.248 55.300 -0.165 0.000 1.088 789 M CB -0.348 32.180 32.600 -0.121 0.000 1.360 789 M HN 0.223 nan 8.290 nan 0.000 0.404 790 S N 0.803 116.361 115.700 -0.238 0.000 2.387 790 S HA -0.154 4.317 4.470 0.001 0.000 0.230 790 S C 1.048 175.606 174.600 -0.071 0.000 1.035 790 S CA 1.369 59.472 58.200 -0.160 0.000 1.014 790 S CB -0.626 62.389 63.200 -0.307 0.000 0.836 790 S HN 0.617 nan 8.310 nan 0.000 0.466 791 L N 1.155 122.320 121.223 -0.095 0.000 2.825 791 L HA 0.589 4.930 4.340 0.001 0.000 0.236 791 L C 0.889 177.713 176.870 -0.077 0.000 1.301 791 L CA -0.271 54.561 54.840 -0.014 0.000 0.977 791 L CB 0.845 42.947 42.059 0.073 0.000 1.300 791 L HN 0.154 nan 8.230 nan 0.000 0.486 792 S N -1.743 113.875 115.700 -0.136 0.000 2.460 792 S HA 0.106 4.576 4.470 0.001 0.000 0.226 792 S C 0.940 175.463 174.600 -0.129 0.000 1.057 792 S CA 0.101 58.168 58.200 -0.222 0.000 0.948 792 S CB 0.136 63.207 63.200 -0.215 0.000 0.822 792 S HN 0.439 nan 8.310 nan 0.000 0.512 793 S N 1.825 117.481 115.700 -0.072 0.000 2.451 793 S HA 0.543 5.013 4.470 0.001 0.000 0.301 793 S C -1.016 173.571 174.600 -0.022 0.000 1.116 793 S CA -0.666 57.508 58.200 -0.044 0.000 1.093 793 S CB 0.667 63.846 63.200 -0.035 0.000 1.017 793 S HN 0.333 nan 8.310 nan 0.000 0.482 794 Q N 2.840 122.629 119.800 -0.017 0.000 2.257 794 Q HA 0.432 4.773 4.340 0.001 0.000 0.262 794 Q C -0.505 175.487 176.000 -0.014 0.000 0.997 794 Q CA -0.594 55.203 55.803 -0.010 0.000 0.873 794 Q CB 1.317 30.051 28.738 -0.007 0.000 1.312 794 Q HN 0.615 nan 8.270 nan 0.000 0.450 795 K N 0.517 120.910 120.400 -0.011 0.000 2.237 795 K HA 0.335 4.655 4.320 0.001 0.000 0.270 795 K C -0.070 176.517 176.600 -0.020 0.000 1.015 795 K CA -0.132 56.146 56.287 -0.015 0.000 0.949 795 K CB 0.712 33.206 32.500 -0.011 0.000 0.976 795 K HN 0.408 nan 8.250 nan 0.000 0.472 796 S N 1.101 116.785 115.700 -0.027 0.000 2.746 796 S HA 0.267 4.738 4.470 0.001 0.000 0.273 796 S C 0.970 175.548 174.600 -0.035 0.000 1.172 796 S CA -0.558 57.624 58.200 -0.030 0.000 1.116 796 S CB 0.821 64.000 63.200 -0.035 0.000 1.057 796 S HN 0.777 nan 8.310 nan 0.000 0.483 797 G N 4.304 113.088 108.800 -0.026 0.000 2.553 797 G HA2 -0.207 3.754 3.960 0.001 0.000 0.218 797 G HA3 -0.207 3.754 3.960 0.001 0.000 0.218 797 G C 1.279 176.157 174.900 -0.037 0.000 1.195 797 G CA 1.415 46.500 45.100 -0.026 0.000 0.779 797 G HN 0.763 nan 8.290 nan 0.000 0.577 798 I N 1.480 122.034 120.570 -0.026 0.000 2.248 798 I HA -0.247 3.923 4.170 0.001 0.000 0.248 798 I C 3.276 179.337 176.117 -0.093 0.000 1.107 798 I CA 1.119 62.402 61.300 -0.029 0.000 1.373 798 I CB -0.329 37.694 38.000 0.038 0.000 1.055 798 I HN 0.275 nan 8.210 nan 0.000 0.418 799 A N 0.524 123.288 122.820 -0.092 0.000 1.930 799 A HA -0.192 4.128 4.320 0.001 0.000 0.217 799 A C 1.958 179.422 177.584 -0.199 0.000 1.175 799 A CA 1.786 53.728 52.037 -0.158 0.000 0.627 799 A CB -0.448 18.484 19.000 -0.112 0.000 0.815 799 A HN 0.393 nan 8.150 nan 0.000 0.443 800 D N -0.209 120.114 120.400 -0.129 0.000 2.149 800 D HA -0.102 4.538 4.640 0.001 0.000 0.201 800 D C 1.763 177.993 176.300 -0.117 0.000 0.972 800 D CA 1.119 55.051 54.000 -0.112 0.000 0.835 800 D CB -0.380 40.383 40.800 -0.060 0.000 0.966 800 D HN 0.623 nan 8.370 nan 0.000 0.476 801 E N 0.920 121.057 120.200 -0.105 0.000 2.049 801 E HA -0.177 4.173 4.350 0.001 0.000 0.198 801 E C 2.317 178.845 176.600 -0.120 0.000 1.007 801 E CA 0.736 57.087 56.400 -0.081 0.000 0.809 801 E CB -0.144 29.520 29.700 -0.060 0.000 0.749 801 E HN 0.297 nan 8.360 nan 0.000 0.450 802 I N 0.131 120.551 120.570 -0.249 0.000 2.439 802 I HA -0.117 4.053 4.170 0.001 0.000 0.251 802 I C 2.184 178.006 176.117 -0.492 0.000 1.139 802 I CA 0.924 61.980 61.300 -0.406 0.000 1.438 802 I CB -0.002 37.540 38.000 -0.762 0.000 1.085 802 I HN 0.004 nan 8.210 nan 0.000 0.427 803 A N 0.752 123.260 122.820 -0.521 0.000 2.125 803 A HA -0.021 4.299 4.320 0.001 0.000 0.219 803 A C 2.260 179.827 177.584 -0.028 0.000 1.156 803 A CA 1.613 53.319 52.037 -0.552 0.000 0.671 803 A CB -0.661 18.158 19.000 -0.303 0.000 0.794 803 A HN 0.613 nan 8.150 nan 0.000 0.459 804 A N -0.454 122.355 122.820 -0.019 0.000 2.140 804 A HA 0.374 4.694 4.320 0.001 0.000 0.209 804 A C 1.490 179.141 177.584 0.113 0.000 1.181 804 A CA 0.824 52.905 52.037 0.073 0.000 0.824 804 A CB -0.638 18.380 19.000 0.030 0.000 0.879 804 A HN 0.849 nan 8.150 nan 0.000 0.480 805 S N 0.111 115.874 115.700 0.105 0.000 2.563 805 S HA 0.086 4.556 4.470 0.001 0.000 0.269 805 S C 1.113 175.839 174.600 0.210 0.000 1.364 805 S CA 0.484 58.785 58.200 0.167 0.000 1.010 805 S CB 0.655 64.004 63.200 0.250 0.000 0.877 805 S HN 0.329 nan 8.310 nan 0.000 0.549 806 S N 1.258 117.062 115.700 0.174 0.000 2.335 806 S HA -0.101 4.370 4.470 0.001 0.000 0.216 806 S C 2.133 176.836 174.600 0.171 0.000 1.032 806 S CA 1.470 59.754 58.200 0.141 0.000 1.000 806 S CB -1.281 61.975 63.200 0.093 0.000 0.928 806 S HN 0.987 nan 8.310 nan 0.000 0.434 807 T N 1.235 115.909 114.554 0.199 0.000 2.760 807 T HA -0.200 4.151 4.350 0.001 0.000 0.269 807 T C 1.406 176.270 174.700 0.273 0.000 1.047 807 T CA 1.481 63.707 62.100 0.209 0.000 1.139 807 T CB -0.495 68.499 68.868 0.210 0.000 0.855 807 T HN 0.309 nan 8.240 nan 0.000 0.471 808 F N 1.395 121.445 119.950 0.167 0.000 2.037 808 F HA 0.186 4.713 4.527 0.001 0.000 0.291 808 F C 2.343 178.223 175.800 0.133 0.000 1.137 808 F CA 1.456 59.536 58.000 0.134 0.000 1.178 808 F CB -0.456 38.565 39.000 0.035 0.000 0.995 808 F HN 0.050 nan 8.300 nan 0.000 0.472 809 K N 0.182 120.621 120.400 0.064 0.000 2.127 809 K HA -0.238 4.083 4.320 0.001 0.000 0.208 809 K C 1.733 178.275 176.600 -0.096 0.000 1.047 809 K CA 1.725 57.973 56.287 -0.064 0.000 0.927 809 K CB -0.434 32.098 32.500 0.053 0.000 0.716 809 K HN 0.329 nan 8.250 nan 0.000 0.450 810 N N 0.179 118.873 118.700 -0.011 0.000 2.188 810 N HA -0.179 4.561 4.740 0.001 0.000 0.184 810 N C 1.670 177.158 175.510 -0.037 0.000 1.018 810 N CA 1.058 54.101 53.050 -0.011 0.000 0.858 810 N CB -0.444 38.065 38.487 0.035 0.000 0.989 810 N HN 0.242 nan 8.380 nan 0.000 0.426 811 Y N 2.446 122.647 120.300 -0.165 0.000 2.089 811 Y HA -0.174 4.376 4.550 0.001 0.000 0.282 811 Y C 2.332 178.079 175.900 -0.256 0.000 1.139 811 Y CA 1.148 59.127 58.100 -0.202 0.000 1.123 811 Y CB -0.695 37.645 38.460 -0.198 0.000 0.980 811 Y HN -0.210 nan 8.280 nan 0.000 0.493 812 V N -0.181 119.433 119.914 -0.499 0.000 2.324 812 V HA -0.392 3.729 4.120 0.001 0.000 0.250 812 V C 2.301 178.183 176.094 -0.354 0.000 1.060 812 V CA 2.496 64.483 62.300 -0.521 0.000 1.042 812 V CB -1.375 30.146 31.823 -0.504 0.000 0.650 812 V HN 0.510 nan 8.190 nan 0.000 0.450 813 T N -0.457 113.944 114.554 -0.254 0.000 2.674 813 T HA -0.240 4.111 4.350 0.001 0.000 0.265 813 T C 2.054 176.651 174.700 -0.172 0.000 1.039 813 T CA 1.864 63.862 62.100 -0.170 0.000 1.150 813 T CB -0.307 68.496 68.868 -0.109 0.000 0.864 813 T HN 0.415 nan 8.240 nan 0.000 0.427 814 R N 0.569 120.962 120.500 -0.179 0.000 2.105 814 R HA -0.046 4.295 4.340 0.001 0.000 0.239 814 R C 2.366 178.551 176.300 -0.193 0.000 1.135 814 R CA 1.185 57.192 56.100 -0.156 0.000 0.967 814 R CB -0.454 29.769 30.300 -0.129 0.000 0.861 814 R HN 0.378 nan 8.270 nan 0.000 0.442 815 L N -0.100 120.937 121.223 -0.309 0.000 2.046 815 L HA -0.158 4.182 4.340 0.001 0.000 0.208 815 L C 2.513 179.279 176.870 -0.174 0.000 1.077 815 L CA 1.340 56.013 54.840 -0.279 0.000 0.747 815 L CB -0.345 41.458 42.059 -0.426 0.000 0.896 815 L HN 0.207 nan 8.230 nan 0.000 0.432 816 S N -0.256 115.336 115.700 -0.179 0.000 2.344 816 S HA -0.194 4.277 4.470 0.001 0.000 0.217 816 S C 1.754 176.297 174.600 -0.095 0.000 1.033 816 S CA 1.346 59.464 58.200 -0.137 0.000 1.017 816 S CB -0.315 62.803 63.200 -0.137 0.000 0.941 816 S HN 0.436 nan 8.310 nan 0.000 0.430 817 E N 0.809 120.955 120.200 -0.089 0.000 2.219 817 E HA -0.201 4.150 4.350 0.001 0.000 0.198 817 E C 2.082 178.652 176.600 -0.050 0.000 0.998 817 E CA 0.815 57.176 56.400 -0.065 0.000 0.818 817 E CB -0.161 29.500 29.700 -0.066 0.000 0.741 817 E HN 0.434 nan 8.360 nan 0.000 0.477 818 Q N 0.009 119.779 119.800 -0.051 0.000 2.212 818 Q HA -0.040 4.301 4.340 0.001 0.000 0.199 818 Q C 2.193 178.209 176.000 0.028 0.000 0.950 818 Q CA 0.526 56.315 55.803 -0.023 0.000 0.863 818 Q CB 0.028 28.749 28.738 -0.028 0.000 0.944 818 Q HN 0.258 nan 8.270 nan 0.000 0.465 819 L N -0.083 121.152 121.223 0.019 0.000 2.121 819 L HA 0.130 4.470 4.340 0.001 0.000 0.200 819 L C 0.682 177.621 176.870 0.116 0.000 1.077 819 L CA 1.054 55.928 54.840 0.056 0.000 0.766 819 L CB -0.488 41.555 42.059 -0.026 0.000 0.931 819 L HN -0.016 nan 8.230 nan 0.000 0.452 820 L N -0.478 120.766 121.223 0.035 0.000 2.452 820 L HA 0.078 4.418 4.340 0.001 0.000 0.267 820 L C 0.789 177.849 176.870 0.316 0.000 1.188 820 L CA 0.108 54.989 54.840 0.068 0.000 0.821 820 L CB 0.350 42.370 42.059 -0.065 0.000 1.102 820 L HN 0.177 nan 8.230 nan 0.000 0.470 821 F N -0.446 119.445 119.950 -0.099 0.000 2.389 821 F HA 0.006 4.533 4.527 0.000 0.000 0.275 821 F C 1.916 177.671 175.800 -0.074 0.000 1.009 821 F CA 0.148 58.103 58.000 -0.075 0.000 1.187 821 F CB 0.106 39.064 39.000 -0.070 0.000 1.139 821 F HN 0.670 nan 8.300 nan 0.000 0.613 822 S N 0.661 116.450 115.700 0.147 0.000 2.481 822 S HA 0.214 4.684 4.470 0.001 0.000 0.267 822 S C -0.178 174.421 174.600 -0.002 0.000 1.174 822 S CA -0.756 57.471 58.200 0.044 0.000 1.027 822 S CB 0.943 64.154 63.200 0.019 0.000 1.117 822 S HN 0.117 nan 8.310 nan 0.000 0.495 823 K N 0.509 120.896 120.400 -0.021 0.000 2.118 823 K HA 0.296 4.616 4.320 0.001 0.000 0.264 823 K C -1.088 175.475 176.600 -0.063 0.000 1.000 823 K CA -0.474 55.789 56.287 -0.039 0.000 0.929 823 K CB 0.372 32.855 32.500 -0.027 0.000 1.021 823 K HN 0.682 nan 8.250 nan 0.000 0.463 824 N N 2.684 121.334 118.700 -0.082 0.000 2.697 824 N HA 0.106 4.847 4.740 0.001 0.000 0.271 824 N C -1.021 174.440 175.510 -0.082 0.000 1.149 824 N CA -0.363 52.622 53.050 -0.108 0.000 0.939 824 N CB 1.094 39.443 38.487 -0.231 0.000 1.534 824 N HN 0.652 nan 8.380 nan 0.000 0.556 825 N N 3.006 121.687 118.700 -0.031 0.000 2.392 825 N HA 0.068 4.809 4.740 0.001 0.000 0.177 825 N C 1.527 177.042 175.510 0.007 0.000 1.066 825 N CA 0.116 53.157 53.050 -0.014 0.000 0.895 825 N CB 0.791 39.279 38.487 0.003 0.000 0.988 825 N HN 0.547 nan 8.380 nan 0.000 0.457 826 I N 0.821 121.415 120.570 0.041 0.000 2.193 826 I HA -0.137 4.034 4.170 0.001 0.000 0.240 826 I C 2.344 178.500 176.117 0.065 0.000 1.084 826 I CA 0.725 62.083 61.300 0.097 0.000 1.365 826 I CB -1.230 36.906 38.000 0.228 0.000 1.064 826 I HN -0.167 nan 8.210 nan 0.000 0.410 827 V N 1.142 121.034 119.914 -0.036 0.000 2.219 827 V HA -0.320 3.800 4.120 0.001 0.000 0.248 827 V C 2.684 178.723 176.094 -0.091 0.000 1.053 827 V CA 2.384 64.585 62.300 -0.165 0.000 1.009 827 V CB -1.053 30.457 31.823 -0.522 0.000 0.636 827 V HN 0.377 nan 8.190 nan 0.000 0.445 828 S N 0.481 116.112 115.700 -0.114 0.000 2.378 828 S HA -0.340 4.130 4.470 0.001 0.000 0.229 828 S C 1.993 176.575 174.600 -0.032 0.000 1.052 828 S CA 2.457 60.608 58.200 -0.081 0.000 1.084 828 S CB -0.619 62.535 63.200 -0.076 0.000 0.950 828 S HN 0.772 nan 8.310 nan 0.000 0.440 829 R N 1.436 121.935 120.500 -0.003 0.000 2.152 829 R HA 0.002 4.343 4.340 0.001 0.000 0.232 829 R C 2.216 178.543 176.300 0.045 0.000 1.117 829 R CA 1.486 57.600 56.100 0.023 0.000 0.981 829 R CB -0.857 29.463 30.300 0.033 0.000 0.870 829 R HN 0.382 nan 8.270 nan 0.000 0.451 830 G N 1.763 110.599 108.800 0.059 0.000 2.425 830 G HA2 -0.118 3.842 3.960 0.001 0.000 0.213 830 G HA3 -0.118 3.842 3.960 0.001 0.000 0.213 830 G C 1.519 176.471 174.900 0.087 0.000 1.201 830 G CA 0.689 45.846 45.100 0.096 0.000 0.799 830 G HN 0.211 nan 8.290 nan 0.000 0.534 831 I N 1.774 122.383 120.570 0.066 0.000 2.236 831 I HA -0.288 3.882 4.170 0.001 0.000 0.249 831 I C 3.245 179.370 176.117 0.013 0.000 1.102 831 I CA 0.992 62.312 61.300 0.033 0.000 1.365 831 I CB -0.251 37.723 38.000 -0.043 0.000 1.051 831 I HN 0.263 nan 8.210 nan 0.000 0.420 832 A N 1.401 124.228 122.820 0.012 0.000 1.834 832 A HA -0.183 4.137 4.320 0.001 0.000 0.216 832 A C 2.272 179.947 177.584 0.152 0.000 1.203 832 A CA 1.579 53.647 52.037 0.050 0.000 0.621 832 A CB -1.026 18.006 19.000 0.054 0.000 0.841 832 A HN 0.358 nan 8.150 nan 0.000 0.446 833 L N -0.548 120.744 121.223 0.116 0.000 2.012 833 L HA -0.210 4.131 4.340 0.001 0.000 0.210 833 L C 2.770 179.706 176.870 0.112 0.000 1.073 833 L CA 1.905 56.810 54.840 0.109 0.000 0.748 833 L CB -1.359 40.744 42.059 0.074 0.000 0.891 833 L HN 0.408 nan 8.230 nan 0.000 0.431 834 T N -0.905 113.710 114.554 0.102 0.000 2.760 834 T HA -0.196 4.154 4.350 0.001 0.000 0.269 834 T C 1.713 176.488 174.700 0.126 0.000 1.047 834 T CA 1.413 63.571 62.100 0.097 0.000 1.139 834 T CB -0.163 68.763 68.868 0.097 0.000 0.855 834 T HN 0.330 nan 8.240 nan 0.000 0.471 835 E N 0.547 120.856 120.200 0.183 0.000 2.340 835 E HA 0.104 4.454 4.350 0.001 0.000 0.194 835 E C 2.161 178.952 176.600 0.318 0.000 0.996 835 E CA 0.375 56.947 56.400 0.286 0.000 0.869 835 E CB 0.000 29.905 29.700 0.341 0.000 0.835 835 E HN 0.472 nan 8.360 nan 0.000 0.493 836 K N 0.794 121.354 120.400 0.267 0.000 2.097 836 K HA 0.004 4.324 4.320 0.001 0.000 0.205 836 K C 2.094 178.693 176.600 -0.002 0.000 1.050 836 K CA 0.933 57.259 56.287 0.065 0.000 0.938 836 K CB 0.024 32.555 32.500 0.052 0.000 0.718 836 K HN -0.010 nan 8.250 nan 0.000 0.442 837 A N 2.051 124.894 122.820 0.039 0.000 1.873 837 A HA -0.183 4.138 4.320 0.001 0.000 0.215 837 A C 1.811 179.402 177.584 0.012 0.000 1.186 837 A CA 1.416 53.463 52.037 0.016 0.000 0.616 837 A CB -0.305 18.709 19.000 0.024 0.000 0.823 837 A HN 0.193 nan 8.150 nan 0.000 0.442 838 K N -0.042 120.378 120.400 0.034 0.000 2.228 838 K HA -0.149 4.172 4.320 0.001 0.000 0.205 838 K C 1.560 178.160 176.600 -0.001 0.000 1.045 838 K CA 1.394 57.697 56.287 0.026 0.000 0.931 838 K CB -0.559 31.970 32.500 0.049 0.000 0.727 838 K HN 0.530 nan 8.250 nan 0.000 0.458 839 L N 0.759 121.960 121.223 -0.035 0.000 2.353 839 L HA -0.165 4.176 4.340 0.001 0.000 0.220 839 L C 1.411 178.285 176.870 0.007 0.000 1.133 839 L CA 0.982 55.781 54.840 -0.068 0.000 0.798 839 L CB -0.718 41.236 42.059 -0.174 0.000 0.922 839 L HN 0.289 nan 8.230 nan 0.000 0.445 840 N N -0.178 118.524 118.700 0.003 0.000 2.443 840 N HA -0.162 4.578 4.740 0.001 0.000 0.184 840 N C 1.978 177.503 175.510 0.025 0.000 1.037 840 N CA 1.088 54.146 53.050 0.012 0.000 0.896 840 N CB -0.020 38.468 38.487 0.002 0.000 0.959 840 N HN 0.391 nan 8.380 nan 0.000 0.442 841 S N -0.213 115.510 115.700 0.037 0.000 2.453 841 S HA -0.146 4.324 4.470 0.001 0.000 0.231 841 S C 0.568 175.205 174.600 0.062 0.000 1.005 841 S CA 0.086 58.308 58.200 0.038 0.000 0.949 841 S CB -0.386 62.833 63.200 0.032 0.000 0.774 841 S HN 0.336 nan 8.310 nan 0.000 0.510 842 Y N 2.997 123.260 120.300 -0.060 0.000 2.537 842 Y HA 0.528 5.078 4.550 0.001 0.000 0.339 842 Y C 1.370 177.229 175.900 -0.068 0.000 1.066 842 Y CA -0.903 57.154 58.100 -0.072 0.000 1.357 842 Y CB 0.235 38.634 38.460 -0.101 0.000 1.175 842 Y HN 0.193 nan 8.280 nan 0.000 0.525 843 A N 7.655 130.220 122.820 -0.425 0.000 1.873 843 A HA -0.164 4.156 4.320 0.001 0.000 0.218 843 A C -0.387 176.951 177.584 -0.409 0.000 1.193 843 A CA 1.882 53.706 52.037 -0.354 0.000 0.629 843 A CB -1.806 17.020 19.000 -0.290 0.000 0.826 843 A HN 0.722 nan 8.150 nan 0.000 0.447 844 P HA -0.190 nan 4.420 nan 0.000 0.216 844 P C 1.443 178.633 177.300 -0.184 0.000 1.157 844 P CA 1.252 64.102 63.100 -0.417 0.000 0.880 844 P CB -0.127 31.274 31.700 -0.498 0.000 0.791 845 I N -1.267 119.247 120.570 -0.094 0.000 2.142 845 I HA -0.255 3.915 4.170 0.001 0.000 0.240 845 I C 2.509 178.602 176.117 -0.040 0.000 1.078 845 I CA 1.711 63.012 61.300 0.002 0.000 1.343 845 I CB -0.923 37.123 38.000 0.078 0.000 1.046 845 I HN 0.030 nan 8.210 nan 0.000 0.405 846 S N 1.200 116.866 115.700 -0.057 0.000 2.372 846 S HA -0.223 4.248 4.470 0.001 0.000 0.227 846 S C 2.072 176.640 174.600 -0.055 0.000 1.044 846 S CA 1.667 59.837 58.200 -0.051 0.000 1.050 846 S CB -0.445 62.720 63.200 -0.058 0.000 0.901 846 S HN 0.324 nan 8.310 nan 0.000 0.447 847 L N 0.790 121.968 121.223 -0.076 0.000 2.083 847 L HA -0.123 4.218 4.340 0.001 0.000 0.209 847 L C 2.739 179.579 176.870 -0.049 0.000 1.083 847 L CA 1.701 56.503 54.840 -0.064 0.000 0.752 847 L CB -0.694 41.317 42.059 -0.079 0.000 0.899 847 L HN 0.430 nan 8.230 nan 0.000 0.433 848 E N -0.025 120.147 120.200 -0.048 0.000 2.031 848 E HA -0.206 4.145 4.350 0.001 0.000 0.193 848 E C 2.212 178.793 176.600 -0.031 0.000 0.994 848 E CA 0.955 57.334 56.400 -0.035 0.000 0.800 848 E CB 0.055 29.738 29.700 -0.029 0.000 0.752 848 E HN 0.307 nan 8.360 nan 0.000 0.447 849 K N 0.945 121.327 120.400 -0.031 0.000 1.988 849 K HA -0.202 4.119 4.320 0.001 0.000 0.221 849 K C 2.110 178.691 176.600 -0.032 0.000 1.053 849 K CA 1.498 57.769 56.287 -0.028 0.000 0.959 849 K CB -0.666 31.818 32.500 -0.026 0.000 0.728 849 K HN 0.131 nan 8.250 nan 0.000 0.447 850 R N 0.650 121.127 120.500 -0.038 0.000 2.103 850 R HA -0.128 4.213 4.340 0.001 0.000 0.242 850 R C 2.573 178.840 176.300 -0.056 0.000 1.142 850 R CA 1.543 57.613 56.100 -0.050 0.000 0.960 850 R CB -0.374 29.900 30.300 -0.043 0.000 0.858 850 R HN 0.257 nan 8.270 nan 0.000 0.439 851 R N 0.393 120.868 120.500 -0.043 0.000 2.083 851 R HA -0.126 4.214 4.340 0.001 0.000 0.237 851 R C 2.446 178.723 176.300 -0.039 0.000 1.137 851 R CA 1.520 57.597 56.100 -0.039 0.000 0.951 851 R CB -0.467 29.815 30.300 -0.030 0.000 0.851 851 R HN 0.264 nan 8.270 nan 0.000 0.434 852 A N 1.072 123.873 122.820 -0.032 0.000 1.858 852 A HA -0.190 4.130 4.320 0.001 0.000 0.216 852 A C 2.106 179.673 177.584 -0.028 0.000 1.190 852 A CA 1.109 53.133 52.037 -0.023 0.000 0.617 852 A CB -0.401 18.590 19.000 -0.014 0.000 0.827 852 A HN 0.205 nan 8.150 nan 0.000 0.443 853 Q N -0.173 119.605 119.800 -0.036 0.000 2.112 853 Q HA -0.192 4.148 4.340 0.001 0.000 0.206 853 Q C 2.171 178.095 176.000 -0.128 0.000 0.987 853 Q CA 1.627 57.403 55.803 -0.045 0.000 0.858 853 Q CB -0.541 28.165 28.738 -0.053 0.000 0.905 853 Q HN 0.781 nan 8.270 nan 0.000 0.420 854 I N 0.851 121.335 120.570 -0.142 0.000 2.113 854 I HA -0.295 3.875 4.170 0.001 0.000 0.238 854 I C 2.543 178.597 176.117 -0.106 0.000 1.070 854 I CA 1.545 62.746 61.300 -0.164 0.000 1.332 854 I CB -0.589 37.342 38.000 -0.115 0.000 1.044 854 I HN 0.230 nan 8.210 nan 0.000 0.402 855 S N 1.486 117.151 115.700 -0.059 0.000 2.370 855 S HA -0.214 4.256 4.470 0.001 0.000 0.226 855 S C 2.202 176.792 174.600 -0.017 0.000 1.033 855 S CA 1.082 59.264 58.200 -0.030 0.000 1.011 855 S CB -0.772 62.418 63.200 -0.016 0.000 0.852 855 S HN 0.443 nan 8.310 nan 0.000 0.457 856 A N 2.509 125.322 122.820 -0.011 0.000 1.835 856 A HA 0.086 4.406 4.320 0.001 0.000 0.215 856 A C 2.299 179.898 177.584 0.027 0.000 1.199 856 A CA 1.563 53.616 52.037 0.027 0.000 0.615 856 A CB -1.148 17.883 19.000 0.053 0.000 0.838 856 A HN 0.653 nan 8.150 nan 0.000 0.444 857 L N -0.931 120.271 121.223 -0.037 0.000 2.549 857 L HA -0.054 4.286 4.340 0.001 0.000 0.230 857 L C 2.032 178.856 176.870 -0.077 0.000 1.162 857 L CA 0.771 55.544 54.840 -0.113 0.000 0.834 857 L CB -0.108 41.627 42.059 -0.540 0.000 0.947 857 L HN 0.467 nan 8.230 nan 0.000 0.452 858 L N -0.714 120.479 121.223 -0.051 0.000 2.071 858 L HA -0.128 4.212 4.340 0.001 0.000 0.201 858 L C 2.644 179.527 176.870 0.023 0.000 1.076 858 L CA 1.661 56.491 54.840 -0.018 0.000 0.755 858 L CB -0.408 41.639 42.059 -0.020 0.000 0.915 858 L HN 0.476 nan 8.230 nan 0.000 0.445 859 T N -2.896 111.676 114.554 0.031 0.000 2.951 859 T HA -0.235 4.116 4.350 0.001 0.000 0.268 859 T C 1.683 176.421 174.700 0.063 0.000 1.073 859 T CA 1.112 63.241 62.100 0.048 0.000 1.134 859 T CB -0.272 68.624 68.868 0.046 0.000 0.884 859 T HN 0.130 nan 8.240 nan 0.000 0.479 860 M N 1.402 121.043 119.600 0.070 0.000 2.065 860 M HA 0.077 4.557 4.480 0.001 0.000 0.259 860 M C 0.751 177.081 176.300 0.049 0.000 1.069 860 M CA 1.377 56.720 55.300 0.071 0.000 1.110 860 M CB -0.997 31.681 32.600 0.130 0.000 1.328 860 M HN 0.167 nan 8.290 nan 0.000 0.405 861 L N 1.010 122.285 121.223 0.086 0.000 3.053 861 L HA 0.064 4.404 4.340 0.001 0.000 0.244 861 L C 0.981 177.891 176.870 0.067 0.000 1.430 861 L CA 0.842 55.737 54.840 0.091 0.000 1.143 861 L CB -1.518 40.612 42.059 0.118 0.000 1.539 861 L HN 0.596 nan 8.230 nan 0.000 0.442 862 Q N 0.140 119.976 119.800 0.060 0.000 1.897 862 Q HA 0.176 4.516 4.340 0.001 0.000 0.200 862 Q C -0.029 176.033 176.000 0.103 0.000 0.677 862 Q CA 0.244 56.097 55.803 0.082 0.000 0.808 862 Q CB 0.648 29.446 28.738 0.099 0.000 1.229 862 Q HN 0.243 nan 8.270 nan 0.000 0.421 863 K N 0.196 120.649 120.400 0.088 0.000 2.556 863 K HA 0.210 4.530 4.320 0.001 0.000 0.322 863 K C -2.609 174.069 176.600 0.130 0.000 1.420 863 K CA -0.472 55.887 56.287 0.120 0.000 1.044 863 K CB 0.683 33.248 32.500 0.109 0.000 1.427 863 K HN -0.072 nan 8.250 nan 0.000 0.509 864 P HA -0.154 nan 4.420 nan 0.000 0.199 864 P C 1.023 178.467 177.300 0.240 0.000 1.118 864 P CA 0.988 64.236 63.100 0.246 0.000 0.913 864 P CB 0.201 31.763 31.700 -0.230 0.000 0.738 865 V N -2.115 117.907 119.914 0.180 0.000 0.677 865 V HA -0.345 3.775 4.120 0.001 0.000 0.092 865 V C 0.381 176.433 176.094 -0.071 0.000 0.988 865 V CA 2.952 65.343 62.300 0.151 0.000 3.141 865 V CB -2.295 29.615 31.823 0.145 0.000 0.307 865 V HN 0.345 nan 8.190 nan 0.000 0.273 866 T N 3.064 117.426 114.554 -0.320 0.000 2.866 866 T HA 0.285 4.635 4.350 0.001 0.000 0.241 866 T C -0.665 173.488 174.700 -0.912 0.000 1.018 866 T CA 1.333 63.150 62.100 -0.471 0.000 1.368 866 T CB -1.191 67.416 68.868 -0.435 0.000 1.025 866 T HN 0.477 nan 8.240 nan 0.000 0.575 867 F N 0.489 120.397 119.950 -0.070 0.000 3.361 867 F HA 0.351 4.878 4.527 0.001 0.000 0.390 867 F C 0.363 176.129 175.800 -0.057 0.000 1.251 867 F CA -1.581 56.368 58.000 -0.084 0.000 1.260 867 F CB 0.438 39.347 39.000 -0.152 0.000 1.847 867 F HN 0.277 nan 8.300 nan 0.000 0.673 868 K N 1.502 121.959 120.400 0.095 0.000 2.034 868 K HA 0.369 4.689 4.320 0.001 0.000 0.225 868 K C 0.713 177.353 176.600 0.068 0.000 1.190 868 K CA 0.234 56.559 56.287 0.064 0.000 1.152 868 K CB -0.142 32.379 32.500 0.036 0.000 1.300 868 K HN 0.572 nan 8.250 nan 0.000 0.268 869 S N 0.580 116.321 115.700 0.068 0.000 2.558 869 S HA 0.197 4.667 4.470 0.001 0.000 0.288 869 S C 0.982 175.605 174.600 0.040 0.000 1.318 869 S CA 0.806 59.033 58.200 0.045 0.000 1.056 869 S CB 0.567 63.789 63.200 0.035 0.000 0.853 869 S HN 0.885 nan 8.310 nan 0.000 0.505 870 S N 2.565 118.285 115.700 0.033 0.000 2.583 870 S HA 0.249 4.719 4.470 0.001 0.000 0.264 870 S C -0.549 174.069 174.600 0.030 0.000 1.008 870 S CA -0.380 57.839 58.200 0.033 0.000 1.435 870 S CB -0.071 63.148 63.200 0.032 0.000 1.236 870 S HN 0.741 nan 8.310 nan 0.000 0.669 871 K N 1.570 121.985 120.400 0.025 0.000 2.172 871 K HA 0.532 4.852 4.320 0.001 0.000 0.276 871 K C -0.854 175.759 176.600 0.022 0.000 1.013 871 K CA -0.262 56.040 56.287 0.024 0.000 0.913 871 K CB 1.569 34.079 32.500 0.017 0.000 1.055 871 K HN 0.269 nan 8.250 nan 0.000 0.461 872 I N 1.786 122.373 120.570 0.028 0.000 2.607 872 I HA 0.276 4.447 4.170 0.001 0.000 0.305 872 I C 0.149 176.271 176.117 0.009 0.000 0.995 872 I CA -0.236 61.076 61.300 0.021 0.000 1.148 872 I CB 1.997 40.013 38.000 0.027 0.000 1.323 872 I HN 0.776 nan 8.210 nan 0.000 0.461 873 T N 1.876 116.422 114.554 -0.012 0.000 2.864 873 T HA 0.290 4.640 4.350 0.001 0.000 0.299 873 T C 0.684 175.332 174.700 -0.085 0.000 1.166 873 T CA -0.655 61.420 62.100 -0.042 0.000 1.007 873 T CB 1.449 70.299 68.868 -0.031 0.000 1.219 873 T HN 0.407 nan 8.240 nan 0.000 0.506 874 I N 1.707 122.189 120.570 -0.147 0.000 2.300 874 I HA -0.237 3.934 4.170 0.001 0.000 0.252 874 I C 1.928 177.886 176.117 -0.266 0.000 1.119 874 I CA 1.683 62.842 61.300 -0.234 0.000 1.384 874 I CB -0.603 37.207 38.000 -0.316 0.000 1.062 874 I HN 0.629 nan 8.210 nan 0.000 0.426 875 N N 0.807 119.399 118.700 -0.181 0.000 2.028 875 N HA -0.195 4.546 4.740 0.001 0.000 0.194 875 N C 1.526 177.003 175.510 -0.056 0.000 1.050 875 N CA 1.979 54.971 53.050 -0.096 0.000 0.848 875 N CB -0.796 37.718 38.487 0.046 0.000 1.038 875 N HN 0.418 nan 8.380 nan 0.000 0.423 876 D N 1.610 121.994 120.400 -0.027 0.000 2.133 876 D HA -0.149 4.491 4.640 0.001 0.000 0.192 876 D C 2.111 178.397 176.300 -0.023 0.000 1.001 876 D CA 0.696 54.693 54.000 -0.005 0.000 0.844 876 D CB -0.366 40.439 40.800 0.007 0.000 0.944 876 D HN 0.184 nan 8.370 nan 0.000 0.447 877 I N 1.156 121.692 120.570 -0.057 0.000 2.091 877 I HA -0.265 3.905 4.170 0.001 0.000 0.239 877 I C 2.730 178.781 176.117 -0.109 0.000 1.061 877 I CA 1.064 62.321 61.300 -0.072 0.000 1.317 877 I CB -1.127 36.810 38.000 -0.105 0.000 1.031 877 I HN 0.072 nan 8.210 nan 0.000 0.401 878 L N -0.126 121.006 121.223 -0.153 0.000 2.046 878 L HA -0.202 4.138 4.340 0.001 0.000 0.208 878 L C 2.740 179.501 176.870 -0.182 0.000 1.077 878 L CA 1.301 56.007 54.840 -0.224 0.000 0.747 878 L CB -0.754 41.237 42.059 -0.113 0.000 0.896 878 L HN 0.258 nan 8.230 nan 0.000 0.432 879 R N 0.300 120.770 120.500 -0.051 0.000 2.193 879 R HA -0.176 4.164 4.340 0.001 0.000 0.229 879 R C 1.524 177.835 176.300 0.020 0.000 1.110 879 R CA 1.578 57.683 56.100 0.008 0.000 0.988 879 R CB -0.049 30.277 30.300 0.044 0.000 0.871 879 R HN 0.361 nan 8.270 nan 0.000 0.458 880 D N 0.043 120.462 120.400 0.031 0.000 2.120 880 D HA -0.066 4.574 4.640 0.001 0.000 0.202 880 D C 1.769 178.224 176.300 0.258 0.000 0.972 880 D CA 1.181 55.267 54.000 0.144 0.000 0.837 880 D CB 0.018 40.910 40.800 0.154 0.000 0.989 880 D HN 0.219 nan 8.370 nan 0.000 0.469 881 I N 0.629 121.250 120.570 0.086 0.000 2.315 881 I HA -0.229 3.941 4.170 0.001 0.000 0.248 881 I C 2.282 178.465 176.117 0.109 0.000 1.117 881 I CA 0.784 62.133 61.300 0.081 0.000 1.404 881 I CB -0.216 37.598 38.000 -0.311 0.000 1.071 881 I HN -0.020 nan 8.210 nan 0.000 0.419 882 K N 1.210 121.559 120.400 -0.085 0.000 2.071 882 K HA -0.229 4.092 4.320 0.001 0.000 0.217 882 K C -0.628 176.068 176.600 0.160 0.000 1.054 882 K CA 2.316 58.656 56.287 0.088 0.000 0.937 882 K CB -0.992 31.563 32.500 0.092 0.000 0.719 882 K HN 0.228 nan 8.250 nan 0.000 0.454 883 P HA -0.097 nan 4.420 nan 0.000 0.228 883 P C -0.087 176.960 177.300 -0.422 0.000 1.151 883 P CA 0.956 63.879 63.100 -0.296 0.000 0.770 883 P CB 0.097 31.478 31.700 -0.533 0.000 0.786 884 F N -1.503 118.464 119.950 0.029 0.000 2.916 884 F HA 0.336 4.863 4.527 0.001 0.000 0.294 884 F C 0.328 175.932 175.800 -0.328 0.000 1.189 884 F CA -0.358 57.573 58.000 -0.115 0.000 1.369 884 F CB -0.475 38.482 39.000 -0.072 0.000 0.961 884 F HN -0.228 nan 8.300 nan 0.000 0.508 885 F N -0.333 119.720 119.950 0.172 0.000 2.588 885 F HA 0.555 5.082 4.527 0.001 0.000 0.314 885 F C 0.043 175.932 175.800 0.148 0.000 1.069 885 F CA -1.451 56.641 58.000 0.153 0.000 0.931 885 F CB 2.116 41.221 39.000 0.174 0.000 1.260 885 F HN -0.188 nan 8.300 nan 0.000 0.465 886 T N 0.125 114.939 114.554 0.434 0.000 2.847 886 T HA 0.707 5.058 4.350 0.001 0.000 0.291 886 T C -0.884 173.957 174.700 0.235 0.000 0.998 886 T CA -0.709 61.568 62.100 0.294 0.000 0.967 886 T CB 0.692 69.731 68.868 0.285 0.000 0.954 886 T HN 0.304 nan 8.240 nan 0.000 0.441 887 V N 3.440 123.441 119.914 0.146 0.000 2.785 887 V HA 0.804 4.925 4.120 0.001 0.000 0.300 887 V C 0.378 176.497 176.094 0.042 0.000 1.062 887 V CA -0.417 61.921 62.300 0.063 0.000 1.029 887 V CB 1.415 33.247 31.823 0.015 0.000 1.024 887 V HN 1.253 nan 8.190 nan 0.000 0.477 888 S N 1.057 116.759 115.700 0.002 0.000 2.548 888 S HA 0.335 4.806 4.470 0.001 0.000 0.278 888 S C -1.417 173.169 174.600 -0.023 0.000 1.150 888 S CA -1.116 57.086 58.200 0.002 0.000 0.907 888 S CB 1.368 64.581 63.200 0.021 0.000 1.108 888 S HN 0.602 nan 8.310 nan 0.000 0.459 889 D N 1.841 122.231 120.400 -0.016 0.000 2.583 889 D HA 0.478 5.118 4.640 0.001 0.000 0.232 889 D C 0.556 176.879 176.300 0.038 0.000 1.128 889 D CA 0.876 54.875 54.000 -0.001 0.000 0.859 889 D CB 0.805 41.626 40.800 0.036 0.000 1.169 889 D HN 0.887 nan 8.370 nan 0.000 0.481 890 A N 2.273 125.136 122.820 0.072 0.000 2.686 890 A HA 0.709 5.029 4.320 0.001 0.000 0.263 890 A C -0.842 176.880 177.584 0.230 0.000 1.264 890 A CA -0.381 51.726 52.037 0.116 0.000 0.799 890 A CB 1.941 20.992 19.000 0.084 0.000 1.363 890 A HN 0.687 nan 8.150 nan 0.000 0.507 891 H N -0.790 118.333 119.070 0.089 0.000 3.140 891 H HA 0.520 5.076 4.556 0.001 0.000 0.336 891 H C -2.608 172.701 175.328 -0.032 0.000 1.142 891 H CA -0.444 55.673 56.048 0.115 0.000 1.308 891 H CB 1.275 31.092 29.762 0.092 0.000 1.970 891 H HN 0.437 nan 8.280 nan 0.000 0.521 892 L N 6.680 127.443 121.223 -0.766 0.000 2.438 892 L HA 0.451 4.791 4.340 0.001 0.000 0.270 892 L C -2.328 174.218 176.870 -0.541 0.000 0.972 892 L CA -1.846 52.599 54.840 -0.657 0.000 0.831 892 L CB 2.009 43.361 42.059 -1.178 0.000 1.273 892 L HN 0.514 nan 8.230 nan 0.000 0.405 893 P HA 0.362 nan 4.420 nan 0.000 0.279 893 P C -0.402 176.857 177.300 -0.068 0.000 1.252 893 P CA -0.597 62.518 63.100 0.025 0.000 0.811 893 P CB 1.199 32.952 31.700 0.088 0.000 1.035 894 I N -0.216 120.366 120.570 0.020 0.000 2.452 894 I HA 0.205 4.376 4.170 0.001 0.000 0.287 894 I C 0.804 176.850 176.117 -0.120 0.000 1.079 894 I CA -0.117 61.177 61.300 -0.009 0.000 1.387 894 I CB 0.155 38.213 38.000 0.098 0.000 1.404 894 I HN 0.444 nan 8.210 nan 0.000 0.522 895 Q N 4.367 123.993 119.800 -0.290 0.000 2.073 895 Q HA 0.262 4.602 4.340 0.001 0.000 0.215 895 Q C -1.303 174.319 176.000 -0.630 0.000 0.776 895 Q CA -0.458 55.066 55.803 -0.466 0.000 1.008 895 Q CB 0.367 28.751 28.738 -0.590 0.000 1.196 895 Q HN 0.733 nan 8.270 nan 0.000 0.458 896 Y N 1.751 122.067 120.300 0.027 0.000 2.331 896 Y HA 0.431 4.981 4.550 0.001 0.000 0.334 896 Y C -0.343 175.637 175.900 0.134 0.000 0.960 896 Y CA -1.164 57.006 58.100 0.116 0.000 1.130 896 Y CB 1.760 40.298 38.460 0.130 0.000 1.164 896 Y HN 0.042 nan 8.280 nan 0.000 0.458 897 Q N 2.456 122.419 119.800 0.272 0.000 2.394 897 Q HA 0.251 4.592 4.340 0.001 0.000 0.248 897 Q C -0.490 175.758 176.000 0.414 0.000 0.992 897 Q CA -0.482 55.423 55.803 0.169 0.000 0.888 897 Q CB 0.632 29.297 28.738 -0.122 0.000 1.257 897 Q HN 0.401 nan 8.270 nan 0.000 0.462 898 K N 2.215 122.748 120.400 0.222 0.000 2.322 898 K HA 0.128 4.449 4.320 0.001 0.000 0.283 898 K C -0.088 176.644 176.600 0.220 0.000 1.042 898 K CA 0.042 56.399 56.287 0.116 0.000 0.958 898 K CB 0.298 32.784 32.500 -0.023 0.000 0.984 898 K HN 0.714 nan 8.250 nan 0.000 0.473 899 F N -0.525 119.484 119.950 0.098 0.000 2.740 899 F HA 0.333 4.860 4.527 0.001 0.000 0.304 899 F C 0.736 176.349 175.800 -0.312 0.000 1.098 899 F CA -0.607 57.429 58.000 0.060 0.000 1.258 899 F CB 0.455 39.602 39.000 0.245 0.000 1.061 899 F HN 0.222 nan 8.300 nan 0.000 0.598 900 M N 2.422 121.503 119.600 -0.865 0.000 2.561 900 M HA 0.339 4.819 4.480 0.001 0.000 0.266 900 M C -2.057 173.919 176.300 -0.541 0.000 1.080 900 M CA -1.916 52.922 55.300 -0.771 0.000 0.993 900 M CB 0.766 32.902 32.600 -0.773 0.000 1.303 900 M HN -0.188 nan 8.290 nan 0.000 0.462 901 P HA -0.206 nan 4.420 nan 0.000 0.217 901 P C 1.339 178.569 177.300 -0.117 0.000 1.151 901 P CA 1.838 64.805 63.100 -0.223 0.000 0.849 901 P CB -0.142 31.494 31.700 -0.107 0.000 0.787 902 T N -3.340 111.136 114.554 -0.130 0.000 2.915 902 T HA -0.059 4.292 4.350 0.001 0.000 0.269 902 T C 0.863 175.531 174.700 -0.053 0.000 1.071 902 T CA 0.239 62.327 62.100 -0.020 0.000 1.132 902 T CB -1.320 67.569 68.868 0.035 0.000 0.878 902 T HN -0.054 nan 8.240 nan 0.000 0.479 903 L N 2.400 123.548 121.223 -0.126 0.000 2.593 903 L HA 0.160 4.500 4.340 0.001 0.000 0.287 903 L C -1.796 175.021 176.870 -0.089 0.000 1.243 903 L CA -1.518 53.242 54.840 -0.132 0.000 0.890 903 L CB -0.415 41.530 42.059 -0.190 0.000 1.134 903 L HN 0.097 nan 8.230 nan 0.000 0.502 904 P HA -0.050 nan 4.420 nan 0.000 0.273 904 P C 0.075 177.355 177.300 -0.034 0.000 1.252 904 P CA -0.170 62.911 63.100 -0.032 0.000 0.809 904 P CB 0.488 32.202 31.700 0.024 0.000 1.017 905 D N -0.311 120.085 120.400 -0.008 0.000 2.183 905 D HA -0.102 4.538 4.640 0.001 0.000 0.205 905 D C 1.400 177.716 176.300 0.027 0.000 0.962 905 D CA 1.083 55.084 54.000 0.001 0.000 0.849 905 D CB -0.571 40.221 40.800 -0.012 0.000 0.978 905 D HN 0.448 nan 8.370 nan 0.000 0.488 906 N N 0.912 119.630 118.700 0.030 0.000 2.381 906 N HA -0.105 4.635 4.740 0.001 0.000 0.182 906 N C 1.637 177.185 175.510 0.063 0.000 1.025 906 N CA 0.638 53.722 53.050 0.056 0.000 0.888 906 N CB -0.579 37.952 38.487 0.074 0.000 0.965 906 N HN 0.080 nan 8.380 nan 0.000 0.438 907 V N 0.135 120.039 119.914 -0.016 0.000 2.825 907 V HA -0.042 4.078 4.120 0.001 0.000 0.246 907 V C 2.595 178.719 176.094 0.049 0.000 1.068 907 V CA 1.004 63.294 62.300 -0.017 0.000 1.088 907 V CB -0.553 31.085 31.823 -0.308 0.000 0.733 907 V HN 0.245 nan 8.190 nan 0.000 0.468 908 Q N -0.171 119.632 119.800 0.004 0.000 2.050 908 Q HA -0.256 4.084 4.340 0.001 0.000 0.202 908 Q C 2.114 178.156 176.000 0.070 0.000 0.980 908 Q CA 2.194 57.995 55.803 -0.003 0.000 0.840 908 Q CB -0.554 28.170 28.738 -0.025 0.000 0.898 908 Q HN 0.651 nan 8.270 nan 0.000 0.424 909 Y N 0.301 120.592 120.300 -0.014 0.000 2.040 909 Y HA -0.308 4.242 4.550 0.000 0.000 0.275 909 Y C 1.730 177.677 175.900 0.078 0.000 1.171 909 Y CA 1.894 60.009 58.100 0.025 0.000 1.123 909 Y CB -0.726 37.723 38.460 -0.019 0.000 0.963 909 Y HN 0.232 nan 8.280 nan 0.000 0.493 910 I N 0.429 120.919 120.570 -0.134 0.000 2.145 910 I HA -0.372 3.798 4.170 0.001 0.000 0.244 910 I C 2.473 178.462 176.117 -0.214 0.000 1.075 910 I CA 1.695 62.844 61.300 -0.251 0.000 1.332 910 I CB -0.855 36.753 38.000 -0.654 0.000 1.033 910 I HN 0.307 nan 8.210 nan 0.000 0.410 911 I N -0.581 119.925 120.570 -0.108 0.000 2.315 911 I HA -0.286 3.885 4.170 0.001 0.000 0.248 911 I C 2.273 178.431 176.117 0.067 0.000 1.117 911 I CA 1.044 62.329 61.300 -0.024 0.000 1.404 911 I CB -0.593 37.427 38.000 0.033 0.000 1.071 911 I HN 0.326 nan 8.210 nan 0.000 0.419 912 Q N -0.111 119.740 119.800 0.084 0.000 2.291 912 Q HA -0.147 4.194 4.340 0.001 0.000 0.205 912 Q C 2.331 178.437 176.000 0.176 0.000 0.970 912 Q CA 1.280 57.197 55.803 0.190 0.000 0.876 912 Q CB -0.038 28.776 28.738 0.126 0.000 0.935 912 Q HN 0.607 nan 8.270 nan 0.000 0.455 913 C N -0.182 119.112 119.300 -0.010 0.000 2.611 913 C HA 0.062 4.523 4.460 0.001 0.000 0.283 913 C C 2.461 177.405 174.990 -0.078 0.000 1.340 913 C CA 0.091 59.000 59.018 -0.181 0.000 1.716 913 C CB -0.529 26.943 27.740 -0.448 0.000 2.134 913 C HN 0.620 nan 8.230 nan 0.000 0.526 914 I N -0.270 120.203 120.570 -0.162 0.000 3.427 914 I HA 0.473 4.643 4.170 0.001 0.000 0.288 914 I C 0.956 176.967 176.117 -0.176 0.000 1.249 914 I CA 1.025 62.223 61.300 -0.170 0.000 1.421 914 I CB -0.501 37.309 38.000 -0.318 0.000 1.086 914 I HN 0.424 nan 8.210 nan 0.000 0.448 915 G N 0.955 109.571 108.800 -0.306 0.000 2.592 915 G HA2 -0.064 3.897 3.960 0.001 0.000 0.684 915 G HA3 -0.064 3.897 3.960 0.001 0.000 0.684 915 G C -0.738 173.996 174.900 -0.277 0.000 1.291 915 G CA -0.133 44.579 45.100 -0.647 0.000 0.891 915 G HN 0.462 nan 8.290 nan 0.000 0.544 916 S N -1.265 114.279 115.700 -0.260 0.000 2.745 916 S HA 0.914 5.384 4.470 0.001 0.000 0.306 916 S C 0.218 174.718 174.600 -0.168 0.000 1.137 916 S CA 0.271 58.415 58.200 -0.094 0.000 0.900 916 S CB 1.331 64.569 63.200 0.063 0.000 1.176 916 S HN 1.271 nan 8.310 nan 0.000 0.520 917 R N -0.792 119.604 120.500 -0.174 0.000 2.912 917 R HA 0.667 5.008 4.340 0.001 0.000 0.262 917 R C -0.526 175.613 176.300 -0.269 0.000 1.057 917 R CA -0.528 55.388 56.100 -0.306 0.000 0.981 917 R CB 0.792 30.730 30.300 -0.603 0.000 1.201 917 R HN 0.644 nan 8.270 nan 0.000 0.484 918 T N -2.496 111.904 114.554 -0.257 0.000 3.288 918 T HA 0.265 4.615 4.350 0.001 0.000 0.293 918 T C -0.696 173.993 174.700 -0.018 0.000 1.008 918 T CA -0.450 61.588 62.100 -0.102 0.000 0.929 918 T CB -0.491 68.362 68.868 -0.026 0.000 1.152 918 T HN 0.587 nan 8.240 nan 0.000 0.517 919 Y N -1.261 119.025 120.300 -0.023 0.000 2.644 919 Y HA 0.817 5.367 4.550 0.001 0.000 0.338 919 Y C -1.123 174.744 175.900 -0.056 0.000 1.119 919 Y CA -1.740 56.340 58.100 -0.034 0.000 1.060 919 Y CB 1.007 39.448 38.460 -0.031 0.000 1.294 919 Y HN -0.172 nan 8.280 nan 0.000 0.472 920 Q N 2.213 122.148 119.800 0.225 0.000 2.290 920 Q HA 0.430 4.770 4.340 0.001 0.000 0.259 920 Q C -0.488 175.619 176.000 0.178 0.000 0.941 920 Q CA -0.573 55.286 55.803 0.093 0.000 0.912 920 Q CB 2.409 31.144 28.738 -0.005 0.000 1.244 920 Q HN 0.824 nan 8.270 nan 0.000 0.441 921 I N 2.173 122.795 120.570 0.086 0.000 2.683 921 I HA -0.100 4.070 4.170 0.001 0.000 0.286 921 I C 1.240 177.320 176.117 -0.061 0.000 1.175 921 I CA 0.266 61.542 61.300 -0.040 0.000 1.429 921 I CB 0.374 38.151 38.000 -0.371 0.000 1.371 921 I HN 0.353 nan 8.210 nan 0.000 0.569 922 E N 7.773 127.953 120.200 -0.034 0.000 2.383 922 E HA -0.082 4.269 4.350 0.001 0.000 0.257 922 E C -0.461 176.181 176.600 0.069 0.000 1.079 922 E CA 0.144 56.554 56.400 0.017 0.000 0.934 922 E CB 0.421 30.132 29.700 0.018 0.000 0.978 922 E HN 0.563 nan 8.360 nan 0.000 0.462 923 D N 3.121 123.570 120.400 0.081 0.000 2.650 923 D HA -0.002 4.638 4.640 0.001 0.000 0.265 923 D C 0.097 176.475 176.300 0.129 0.000 1.339 923 D CA -0.240 53.840 54.000 0.133 0.000 0.816 923 D CB 0.172 41.059 40.800 0.144 0.000 1.091 923 D HN 0.399 nan 8.370 nan 0.000 0.483 924 D N -1.349 119.113 120.400 0.103 0.000 2.502 924 D HA 0.152 4.792 4.640 0.001 0.000 0.232 924 D C 1.590 177.938 176.300 0.079 0.000 1.137 924 D CA 0.410 54.468 54.000 0.096 0.000 0.827 924 D CB -0.157 40.694 40.800 0.085 0.000 1.141 924 D HN 0.186 nan 8.370 nan 0.000 0.517 925 G N 0.903 109.747 108.800 0.073 0.000 2.160 925 G HA2 -0.331 3.629 3.960 0.001 0.000 0.244 925 G HA3 -0.331 3.629 3.960 0.001 0.000 0.244 925 G C 1.075 176.005 174.900 0.050 0.000 1.022 925 G CA 0.905 46.042 45.100 0.061 0.000 0.741 925 G HN 0.685 nan 8.290 nan 0.000 0.508 926 S N -0.785 114.942 115.700 0.045 0.000 2.428 926 S HA 0.073 4.544 4.470 0.001 0.000 0.230 926 S C 1.755 176.372 174.600 0.028 0.000 1.014 926 S CA 1.409 59.630 58.200 0.034 0.000 0.957 926 S CB -0.027 63.192 63.200 0.031 0.000 0.784 926 S HN 0.520 nan 8.310 nan 0.000 0.499 927 K N 2.181 122.599 120.400 0.030 0.000 2.444 927 K HA 0.139 4.459 4.320 0.001 0.000 0.193 927 K C 0.619 177.243 176.600 0.041 0.000 1.024 927 K CA 0.295 56.598 56.287 0.027 0.000 1.077 927 K CB 0.119 32.632 32.500 0.020 0.000 0.833 927 K HN 0.583 nan 8.250 nan 0.000 0.517 928 S N 0.036 115.765 115.700 0.049 0.000 2.568 928 S HA 0.132 4.602 4.470 0.001 0.000 0.282 928 S C 1.279 175.912 174.600 0.056 0.000 1.338 928 S CA -0.111 58.130 58.200 0.069 0.000 1.045 928 S CB 1.631 64.877 63.200 0.077 0.000 0.873 928 S HN 0.197 nan 8.310 nan 0.000 0.516 929 A N 3.182 126.055 122.820 0.089 0.000 1.902 929 A HA -0.033 4.287 4.320 0.001 0.000 0.217 929 A C 1.999 179.533 177.584 -0.084 0.000 1.181 929 A CA 1.384 53.457 52.037 0.061 0.000 0.623 929 A CB -0.933 18.179 19.000 0.186 0.000 0.818 929 A HN 1.036 nan 8.150 nan 0.000 0.443 930 I N -0.957 119.521 120.570 -0.154 0.000 2.226 930 I HA -0.208 3.962 4.170 0.001 0.000 0.245 930 I C 2.495 178.528 176.117 -0.140 0.000 1.100 930 I CA 1.891 62.967 61.300 -0.373 0.000 1.374 930 I CB -0.103 37.750 38.000 -0.246 0.000 1.057 930 I HN 0.334 nan 8.210 nan 0.000 0.413 931 S N 0.732 116.409 115.700 -0.038 0.000 2.383 931 S HA -0.151 4.319 4.470 0.001 0.000 0.227 931 S C 2.122 176.717 174.600 -0.008 0.000 1.026 931 S CA 1.046 59.249 58.200 0.004 0.000 0.981 931 S CB -0.252 62.962 63.200 0.024 0.000 0.818 931 S HN 0.471 nan 8.310 nan 0.000 0.472 932 R N 0.192 120.678 120.500 -0.022 0.000 2.081 932 R HA -0.061 4.279 4.340 0.001 0.000 0.235 932 R C 2.282 178.550 176.300 -0.052 0.000 1.131 932 R CA 1.353 57.438 56.100 -0.025 0.000 0.960 932 R CB -0.758 29.533 30.300 -0.016 0.000 0.856 932 R HN 0.374 nan 8.270 nan 0.000 0.436 933 L N 1.560 122.735 121.223 -0.079 0.000 1.970 933 L HA -0.175 4.165 4.340 0.001 0.000 0.212 933 L C 2.141 178.988 176.870 -0.037 0.000 1.071 933 L CA 1.725 56.520 54.840 -0.075 0.000 0.751 933 L CB -0.530 41.438 42.059 -0.152 0.000 0.889 933 L HN 0.104 nan 8.230 nan 0.000 0.432 934 I N -0.846 119.720 120.570 -0.008 0.000 2.315 934 I HA -0.327 3.844 4.170 0.001 0.000 0.251 934 I C 2.048 178.177 176.117 0.021 0.000 1.125 934 I CA 1.512 62.838 61.300 0.043 0.000 1.392 934 I CB -0.485 37.584 38.000 0.115 0.000 1.065 934 I HN 0.265 nan 8.210 nan 0.000 0.424 935 S N -0.163 115.539 115.700 0.004 0.000 2.561 935 S HA -0.081 4.389 4.470 0.001 0.000 0.225 935 S C 1.836 176.412 174.600 -0.040 0.000 0.977 935 S CA 0.553 58.776 58.200 0.038 0.000 0.926 935 S CB -0.047 63.178 63.200 0.042 0.000 0.769 935 S HN 0.399 nan 8.310 nan 0.000 0.533 936 K N -0.207 120.039 120.400 -0.257 0.000 2.323 936 K HA 0.087 4.407 4.320 0.001 0.000 0.197 936 K C 0.318 176.302 176.600 -1.025 0.000 1.043 936 K CA 0.730 56.688 56.287 -0.548 0.000 0.997 936 K CB 0.158 32.273 32.500 -0.641 0.000 0.807 936 K HN 0.327 nan 8.250 nan 0.000 0.497 937 Y N -0.936 119.084 120.300 -0.468 0.000 2.563 937 Y HA 0.339 4.890 4.550 0.001 0.000 0.250 937 Y C 0.094 175.734 175.900 -0.434 0.000 1.126 937 Y CA -0.509 57.292 58.100 -0.498 0.000 1.231 937 Y CB 1.346 39.642 38.460 -0.274 0.000 1.288 937 Y HN -0.150 nan 8.280 nan 0.000 0.537 938 S N -1.140 114.446 115.700 -0.191 0.000 2.595 938 S HA 0.513 4.984 4.470 0.001 0.000 0.281 938 S C 0.129 174.984 174.600 0.425 0.000 1.117 938 S CA -0.421 57.860 58.200 0.135 0.000 0.873 938 S CB 1.773 65.034 63.200 0.101 0.000 1.108 938 S HN -0.133 nan 8.310 nan 0.000 0.477 939 V N 2.938 123.059 119.914 0.345 0.000 3.590 939 V HA 0.254 4.374 4.120 0.001 0.000 0.265 939 V C 0.153 176.387 176.094 0.232 0.000 1.239 939 V CA 0.285 62.731 62.300 0.242 0.000 1.117 939 V CB -0.551 31.372 31.823 0.166 0.000 0.818 939 V HN 0.837 nan 8.190 nan 0.000 0.451 940 Y N 2.531 122.888 120.300 0.095 0.000 2.497 940 Y HA 0.232 4.782 4.550 0.001 0.000 0.334 940 Y C 0.473 176.422 175.900 0.081 0.000 1.199 940 Y CA -0.035 58.104 58.100 0.066 0.000 1.425 940 Y CB 0.364 38.837 38.460 0.021 0.000 1.291 940 Y HN 0.100 nan 8.280 nan 0.000 0.562 941 K N 8.074 128.180 120.400 -0.491 0.000 2.483 941 K HA 0.347 4.667 4.320 0.001 0.000 0.256 941 K C -2.750 173.444 176.600 -0.677 0.000 0.961 941 K CA -1.841 54.221 56.287 -0.375 0.000 0.873 941 K CB 1.481 33.893 32.500 -0.147 0.000 1.107 941 K HN 0.470 nan 8.250 nan 0.000 0.432 942 P HA 0.100 nan 4.420 nan 0.000 0.292 942 P C -0.302 176.947 177.300 -0.084 0.000 1.283 942 P CA -0.534 62.417 63.100 -0.249 0.000 0.835 942 P CB 1.534 33.281 31.700 0.079 0.000 1.017 943 S N 2.033 117.711 115.700 -0.037 0.000 2.606 943 S HA 0.030 4.501 4.470 0.001 0.000 0.257 943 S C 1.295 175.910 174.600 0.024 0.000 1.327 943 S CA -0.438 57.764 58.200 0.004 0.000 0.984 943 S CB 0.036 63.247 63.200 0.019 0.000 0.941 943 S HN 0.413 nan 8.310 nan 0.000 0.576 944 I N 0.748 121.342 120.570 0.041 0.000 2.493 944 I HA -0.033 4.137 4.170 0.001 0.000 0.254 944 I C 2.099 178.192 176.117 -0.040 0.000 1.160 944 I CA 1.412 62.737 61.300 0.043 0.000 1.445 944 I CB -0.779 37.287 38.000 0.110 0.000 1.086 944 I HN 0.823 nan 8.210 nan 0.000 0.433 945 E N -0.123 120.050 120.200 -0.044 0.000 2.285 945 E HA -0.196 4.155 4.350 0.001 0.000 0.194 945 E C 1.801 178.385 176.600 -0.027 0.000 0.997 945 E CA 0.797 57.108 56.400 -0.149 0.000 0.845 945 E CB 0.035 29.722 29.700 -0.022 0.000 0.782 945 E HN 0.647 nan 8.360 nan 0.000 0.491 946 E N 0.997 121.210 120.200 0.021 0.000 2.042 946 E HA -0.077 4.273 4.350 0.001 0.000 0.189 946 E C 2.106 178.714 176.600 0.014 0.000 0.974 946 E CA 0.201 56.634 56.400 0.055 0.000 0.806 946 E CB 0.116 29.892 29.700 0.127 0.000 0.769 946 E HN 0.123 nan 8.360 nan 0.000 0.451 947 L N 0.629 121.863 121.223 0.019 0.000 2.081 947 L HA -0.237 4.104 4.340 0.001 0.000 0.212 947 L C 2.578 179.462 176.870 0.022 0.000 1.080 947 L CA 1.457 56.298 54.840 0.001 0.000 0.754 947 L CB -0.669 41.411 42.059 0.036 0.000 0.893 947 L HN 0.340 nan 8.230 nan 0.000 0.433 948 Y N 0.864 121.075 120.300 -0.149 0.000 2.256 948 Y HA -0.290 4.260 4.550 0.001 0.000 0.288 948 Y C 2.585 178.461 175.900 -0.040 0.000 1.155 948 Y CA 1.840 59.828 58.100 -0.188 0.000 1.203 948 Y CB -0.103 37.981 38.460 -0.626 0.000 0.980 948 Y HN 0.047 nan 8.280 nan 0.000 0.530 949 K N -1.112 119.202 120.400 -0.144 0.000 2.202 949 K HA 0.028 4.349 4.320 0.001 0.000 0.201 949 K C 1.839 178.332 176.600 -0.178 0.000 1.051 949 K CA 0.887 57.052 56.287 -0.204 0.000 0.977 949 K CB 0.026 32.467 32.500 -0.097 0.000 0.792 949 K HN 0.177 nan 8.250 nan 0.000 0.469 950 V N 1.607 121.410 119.914 -0.185 0.000 2.594 950 V HA -0.208 3.913 4.120 0.001 0.000 0.253 950 V C 2.056 178.044 176.094 -0.176 0.000 1.069 950 V CA 1.234 63.356 62.300 -0.297 0.000 1.082 950 V CB -0.232 31.223 31.823 -0.613 0.000 0.680 950 V HN 0.331 nan 8.190 nan 0.000 0.469 951 I N 0.626 121.149 120.570 -0.078 0.000 2.876 951 I HA -0.077 4.093 4.170 0.001 0.000 0.264 951 I C 2.269 178.324 176.117 -0.103 0.000 1.204 951 I CA 1.358 62.679 61.300 0.034 0.000 1.485 951 I CB 0.023 38.105 38.000 0.135 0.000 1.103 951 I HN 0.363 nan 8.210 nan 0.000 0.446 952 S N -0.329 115.219 115.700 -0.252 0.000 2.605 952 S HA 0.230 4.700 4.470 0.001 0.000 0.217 952 S C 0.639 175.013 174.600 -0.377 0.000 0.958 952 S CA -0.397 57.501 58.200 -0.504 0.000 0.919 952 S CB -0.726 62.162 63.200 -0.520 0.000 0.780 952 S HN 0.229 nan 8.310 nan 0.000 0.507 953 L N 2.259 123.337 121.223 -0.243 0.000 2.439 953 L HA 0.359 4.699 4.340 0.001 0.000 0.261 953 L C 0.744 177.497 176.870 -0.194 0.000 1.153 953 L CA -0.985 53.717 54.840 -0.231 0.000 0.808 953 L CB 0.265 42.245 42.059 -0.132 0.000 1.126 953 L HN 0.313 nan 8.230 nan 0.000 0.460 954 H N 2.016 121.046 119.070 -0.066 0.000 3.001 954 H HA -0.047 4.509 4.556 0.001 0.000 0.334 954 H C 0.866 176.144 175.328 -0.082 0.000 1.034 954 H CA 0.285 56.299 56.048 -0.057 0.000 1.420 954 H CB 0.638 30.372 29.762 -0.047 0.000 1.405 954 H HN 0.636 nan 8.280 nan 0.000 0.593 955 E N 2.357 122.566 120.200 0.016 0.000 2.164 955 E HA -0.353 3.997 4.350 0.001 0.000 0.206 955 E C 1.636 178.179 176.600 -0.095 0.000 1.032 955 E CA 2.072 58.388 56.400 -0.140 0.000 0.832 955 E CB -0.071 29.543 29.700 -0.143 0.000 0.742 955 E HN 0.687 nan 8.360 nan 0.000 0.460 956 N N 0.705 119.389 118.700 -0.026 0.000 2.309 956 N HA -0.168 4.572 4.740 0.001 0.000 0.182 956 N C 1.437 176.949 175.510 0.002 0.000 1.018 956 N CA 1.252 54.290 53.050 -0.021 0.000 0.876 956 N CB -0.045 38.430 38.487 -0.019 0.000 0.972 956 N HN 0.237 nan 8.380 nan 0.000 0.434 957 E N 0.251 120.467 120.200 0.026 0.000 2.076 957 E HA -0.001 4.349 4.350 0.001 0.000 0.190 957 E C 1.823 178.448 176.600 0.041 0.000 0.979 957 E CA 0.849 57.273 56.400 0.040 0.000 0.807 957 E CB -0.086 29.645 29.700 0.051 0.000 0.761 957 E HN 0.467 nan 8.360 nan 0.000 0.454 958 I N 1.268 121.836 120.570 -0.004 0.000 2.454 958 I HA -0.273 3.897 4.170 0.001 0.000 0.254 958 I C 2.638 178.792 176.117 0.062 0.000 1.156 958 I CA 1.076 62.377 61.300 0.002 0.000 1.433 958 I CB -0.182 37.783 38.000 -0.059 0.000 1.082 958 I HN 0.143 nan 8.210 nan 0.000 0.432 959 Q N 0.816 120.628 119.800 0.020 0.000 2.172 959 Q HA -0.099 4.241 4.340 0.001 0.000 0.200 959 Q C 2.346 178.366 176.000 0.034 0.000 0.964 959 Q CA 0.961 56.778 55.803 0.023 0.000 0.855 959 Q CB 0.222 28.951 28.738 -0.015 0.000 0.918 959 Q HN 0.536 nan 8.270 nan 0.000 0.444 960 L N -0.683 120.567 121.223 0.043 0.000 2.131 960 L HA -0.142 4.199 4.340 0.001 0.000 0.206 960 L C 2.184 179.081 176.870 0.045 0.000 1.087 960 L CA 0.870 55.728 54.840 0.030 0.000 0.767 960 L CB -0.585 41.490 42.059 0.027 0.000 0.917 960 L HN 0.328 nan 8.230 nan 0.000 0.441 961 Y N 1.189 121.466 120.300 -0.037 0.000 2.070 961 Y HA -0.304 4.246 4.550 0.001 0.000 0.280 961 Y C 2.492 178.355 175.900 -0.062 0.000 1.148 961 Y CA 1.748 59.823 58.100 -0.042 0.000 1.125 961 Y CB -0.261 38.190 38.460 -0.014 0.000 0.975 961 Y HN -0.052 nan 8.280 nan 0.000 0.492 962 L N -0.204 121.139 121.223 0.200 0.000 1.990 962 L HA -0.319 4.021 4.340 0.001 0.000 0.213 962 L C 2.480 179.292 176.870 -0.097 0.000 1.072 962 L CA 1.996 56.876 54.840 0.066 0.000 0.755 962 L CB -0.704 41.397 42.059 0.071 0.000 0.889 962 L HN 0.330 nan 8.230 nan 0.000 0.432 963 I N -0.375 120.140 120.570 -0.092 0.000 2.208 963 I HA -0.282 3.889 4.170 0.001 0.000 0.245 963 I C 2.417 178.398 176.117 -0.227 0.000 1.097 963 I CA 1.567 62.775 61.300 -0.154 0.000 1.363 963 I CB -0.347 37.602 38.000 -0.085 0.000 1.051 963 I HN 0.351 nan 8.210 nan 0.000 0.413 964 S N 0.447 116.034 115.700 -0.187 0.000 2.805 964 S HA 0.044 4.515 4.470 0.001 0.000 0.230 964 S C 1.113 175.522 174.600 -0.318 0.000 0.968 964 S CA 0.487 58.566 58.200 -0.202 0.000 0.976 964 S CB -0.520 62.575 63.200 -0.174 0.000 0.787 964 S HN 0.487 nan 8.310 nan 0.000 0.533 965 L N -0.150 120.821 121.223 -0.421 0.000 3.333 965 L HA 0.412 4.752 4.340 0.001 0.000 0.299 965 L C 1.378 177.877 176.870 -0.618 0.000 1.256 965 L CA 0.134 54.716 54.840 -0.429 0.000 1.037 965 L CB 0.371 42.238 42.059 -0.321 0.000 1.423 965 L HN 0.496 nan 8.230 nan 0.000 0.605 966 G N 0.951 109.089 108.800 -1.103 0.000 2.157 966 G HA2 -0.259 3.701 3.960 0.001 0.000 0.248 966 G HA3 -0.259 3.701 3.960 0.001 0.000 0.248 966 G C -0.029 174.480 174.900 -0.651 0.000 0.979 966 G CA -0.308 43.931 45.100 -1.436 0.000 0.650 966 G HN 0.151 nan 8.290 nan 0.000 0.529 967 I N 3.767 124.067 120.570 -0.451 0.000 2.363 967 I HA 0.305 4.475 4.170 0.001 0.000 0.292 967 I C -1.181 174.706 176.117 -0.384 0.000 1.075 967 I CA -2.765 58.312 61.300 -0.371 0.000 1.333 967 I CB 0.641 38.553 38.000 -0.146 0.000 1.415 967 I HN -0.036 nan 8.210 nan 0.000 0.502 968 P HA 0.014 nan 4.420 nan 0.000 0.267 968 P C 0.302 177.487 177.300 -0.192 0.000 1.200 968 P CA -0.184 62.718 63.100 -0.330 0.000 0.772 968 P CB 0.960 32.418 31.700 -0.403 0.000 0.855 969 K N 2.118 122.447 120.400 -0.118 0.000 2.032 969 K HA -0.151 4.169 4.320 0.001 0.000 0.209 969 K C 1.960 178.531 176.600 -0.047 0.000 1.048 969 K CA 1.374 57.620 56.287 -0.068 0.000 0.927 969 K CB -0.491 31.980 32.500 -0.048 0.000 0.712 969 K HN 0.485 nan 8.250 nan 0.000 0.441 970 I N 1.147 121.688 120.570 -0.048 0.000 2.399 970 I HA -0.331 3.840 4.170 0.001 0.000 0.254 970 I C 1.267 177.382 176.117 -0.005 0.000 1.146 970 I CA 1.701 62.987 61.300 -0.023 0.000 1.412 970 I CB 0.021 38.009 38.000 -0.020 0.000 1.076 970 I HN 0.211 nan 8.210 nan 0.000 0.432 971 D N 1.049 121.436 120.400 -0.021 0.000 2.214 971 D HA -0.012 4.628 4.640 0.001 0.000 0.217 971 D C 2.277 178.612 176.300 0.059 0.000 0.973 971 D CA 1.236 55.251 54.000 0.026 0.000 0.880 971 D CB -0.130 40.672 40.800 0.005 0.000 1.031 971 D HN 0.466 nan 8.370 nan 0.000 0.468 972 A N 2.050 124.879 122.820 0.015 0.000 1.892 972 A HA -0.225 4.095 4.320 0.001 0.000 0.218 972 A C 1.816 179.438 177.584 0.064 0.000 1.188 972 A CA 1.922 53.990 52.037 0.051 0.000 0.631 972 A CB -0.527 18.471 19.000 -0.004 0.000 0.822 972 A HN 0.107 nan 8.150 nan 0.000 0.447 973 D N -0.856 119.555 120.400 0.018 0.000 2.144 973 D HA -0.085 4.555 4.640 0.001 0.000 0.200 973 D C 2.013 178.317 176.300 0.008 0.000 0.978 973 D CA 1.772 55.771 54.000 -0.001 0.000 0.833 973 D CB -0.636 40.156 40.800 -0.013 0.000 0.961 973 D HN 0.430 nan 8.370 nan 0.000 0.470 974 T N 0.441 115.017 114.554 0.037 0.000 2.643 974 T HA -0.183 4.167 4.350 0.001 0.000 0.264 974 T C 1.779 176.517 174.700 0.063 0.000 1.045 974 T CA 1.058 63.186 62.100 0.046 0.000 1.155 974 T CB -0.556 68.351 68.868 0.065 0.000 0.863 974 T HN 0.182 nan 8.240 nan 0.000 0.420 975 Y N 2.010 122.316 120.300 0.009 0.000 2.034 975 Y HA -0.187 4.364 4.550 0.001 0.000 0.269 975 Y C 2.474 178.372 175.900 -0.003 0.000 1.125 975 Y CA 1.150 59.267 58.100 0.028 0.000 1.097 975 Y CB -1.072 37.411 38.460 0.040 0.000 0.978 975 Y HN -0.050 nan 8.280 nan 0.000 0.480 976 V N 0.570 120.376 119.914 -0.179 0.000 2.549 976 V HA -0.390 3.730 4.120 0.001 0.000 0.268 976 V C 1.872 177.651 176.094 -0.525 0.000 1.138 976 V CA 2.368 64.411 62.300 -0.427 0.000 1.133 976 V CB -1.215 30.502 31.823 -0.178 0.000 0.704 976 V HN 0.770 nan 8.190 nan 0.000 0.474 977 G N -1.272 107.355 108.800 -0.287 0.000 2.662 977 G HA2 0.047 4.007 3.960 0.001 0.000 0.207 977 G HA3 0.047 4.007 3.960 0.001 0.000 0.207 977 G C 0.726 175.576 174.900 -0.083 0.000 1.154 977 G CA 0.704 45.708 45.100 -0.161 0.000 0.837 977 G HN 0.840 nan 8.290 nan 0.000 0.580 978 S N 0.460 116.103 115.700 -0.095 0.000 2.511 978 S HA -0.119 4.351 4.470 0.001 0.000 0.279 978 S C 1.137 175.726 174.600 -0.018 0.000 1.330 978 S CA 1.003 59.176 58.200 -0.046 0.000 1.017 978 S CB 0.547 63.728 63.200 -0.030 0.000 0.800 978 S HN 0.429 nan 8.310 nan 0.000 0.498 979 K N 0.903 121.300 120.400 -0.005 0.000 2.147 979 K HA -0.035 4.286 4.320 0.001 0.000 0.205 979 K C 1.998 178.594 176.600 -0.007 0.000 1.049 979 K CA 1.717 57.999 56.287 -0.008 0.000 0.936 979 K CB -0.549 31.947 32.500 -0.007 0.000 0.722 979 K HN 0.678 nan 8.250 nan 0.000 0.446 980 I N 0.249 120.833 120.570 0.023 0.000 2.208 980 I HA -0.318 3.853 4.170 0.001 0.000 0.245 980 I C 2.432 178.592 176.117 0.072 0.000 1.097 980 I CA 1.239 62.587 61.300 0.081 0.000 1.363 980 I CB -0.643 37.465 38.000 0.181 0.000 1.051 980 I HN 0.123 nan 8.210 nan 0.000 0.413 981 Y N 2.164 122.320 120.300 -0.241 0.000 2.193 981 Y HA -0.291 4.259 4.550 0.001 0.000 0.285 981 Y C 2.597 178.453 175.900 -0.072 0.000 1.166 981 Y CA 1.691 59.579 58.100 -0.352 0.000 1.181 981 Y CB -0.605 37.477 38.460 -0.629 0.000 0.976 981 Y HN 0.063 nan 8.280 nan 0.000 0.520 982 S N 0.297 115.771 115.700 -0.376 0.000 2.357 982 S HA -0.103 4.367 4.470 0.001 0.000 0.221 982 S C 1.986 176.508 174.600 -0.130 0.000 1.031 982 S CA 1.196 59.174 58.200 -0.370 0.000 0.982 982 S CB -0.257 62.823 63.200 -0.200 0.000 0.853 982 S HN 0.462 nan 8.310 nan 0.000 0.458 983 R N 0.917 121.396 120.500 -0.034 0.000 2.120 983 R HA -0.082 4.259 4.340 0.001 0.000 0.234 983 R C 1.718 178.098 176.300 0.133 0.000 1.123 983 R CA 1.387 57.523 56.100 0.060 0.000 0.975 983 R CB -0.275 30.058 30.300 0.055 0.000 0.866 983 R HN 0.290 nan 8.270 nan 0.000 0.446 984 D N 0.265 120.732 120.400 0.111 0.000 2.097 984 D HA -0.138 4.502 4.640 0.001 0.000 0.197 984 D C 1.650 178.039 176.300 0.149 0.000 0.984 984 D CA 1.086 55.182 54.000 0.161 0.000 0.826 984 D CB -0.033 40.930 40.800 0.271 0.000 0.973 984 D HN 0.054 nan 8.370 nan 0.000 0.460 985 K N -0.622 119.818 120.400 0.067 0.000 2.059 985 K HA -0.256 4.065 4.320 0.001 0.000 0.212 985 K C 2.249 179.075 176.600 0.376 0.000 1.050 985 K CA 1.375 57.753 56.287 0.152 0.000 0.927 985 K CB -0.286 32.145 32.500 -0.114 0.000 0.714 985 K HN 0.209 nan 8.250 nan 0.000 0.447 986 Y N 0.754 121.140 120.300 0.144 0.000 2.184 986 Y HA -0.129 4.421 4.550 0.001 0.000 0.290 986 Y C 2.378 178.261 175.900 -0.027 0.000 1.129 986 Y CA 1.608 59.759 58.100 0.085 0.000 1.144 986 Y CB -0.174 38.306 38.460 0.032 0.000 0.995 986 Y HN -0.029 nan 8.280 nan 0.000 0.513 987 R N 0.136 120.641 120.500 0.009 0.000 2.091 987 R HA -0.170 4.170 4.340 0.001 0.000 0.238 987 R C 1.980 178.212 176.300 -0.113 0.000 1.136 987 R CA 1.883 57.931 56.100 -0.086 0.000 0.959 987 R CB -0.305 30.042 30.300 0.078 0.000 0.856 987 R HN 0.374 nan 8.270 nan 0.000 0.437 988 I N 0.989 121.560 120.570 0.000 0.000 2.142 988 I HA -0.279 3.892 4.170 0.001 0.000 0.240 988 I C 2.422 178.520 176.117 -0.031 0.000 1.078 988 I CA 1.040 62.364 61.300 0.041 0.000 1.343 988 I CB -1.309 36.778 38.000 0.145 0.000 1.046 988 I HN 0.281 nan 8.210 nan 0.000 0.405 989 L N 1.204 122.343 121.223 -0.141 0.000 2.012 989 L HA -0.220 4.121 4.340 0.001 0.000 0.210 989 L C 2.605 179.196 176.870 -0.465 0.000 1.073 989 L CA 2.072 56.724 54.840 -0.314 0.000 0.748 989 L CB -0.764 40.935 42.059 -0.601 0.000 0.891 989 L HN 0.354 nan 8.230 nan 0.000 0.431 990 E N -1.244 118.479 120.200 -0.795 0.000 2.118 990 E HA -0.261 4.089 4.350 0.001 0.000 0.195 990 E C 2.182 178.502 176.600 -0.468 0.000 0.992 990 E CA 1.361 57.060 56.400 -1.167 0.000 0.804 990 E CB -0.207 28.687 29.700 -1.344 0.000 0.741 990 E HN 0.604 nan 8.360 nan 0.000 0.458 991 S N -0.882 114.716 115.700 -0.170 0.000 2.357 991 S HA -0.171 4.299 4.470 0.001 0.000 0.221 991 S C 1.877 176.546 174.600 0.116 0.000 1.031 991 S CA 0.943 59.193 58.200 0.084 0.000 0.982 991 S CB -0.541 62.701 63.200 0.071 0.000 0.853 991 S HN 0.573 nan 8.310 nan 0.000 0.458 992 Y N 2.189 122.416 120.300 -0.122 0.000 2.224 992 Y HA -0.039 4.511 4.550 0.001 0.000 0.289 992 Y C 2.118 177.913 175.900 -0.176 0.000 1.146 992 Y CA 1.356 59.350 58.100 -0.176 0.000 1.182 992 Y CB -0.664 37.590 38.460 -0.343 0.000 0.983 992 Y HN 0.138 nan 8.280 nan 0.000 0.524 993 V N -0.679 119.081 119.914 -0.257 0.000 2.358 993 V HA -0.296 3.824 4.120 0.001 0.000 0.246 993 V C 2.003 178.013 176.094 -0.140 0.000 1.047 993 V CA 1.952 64.078 62.300 -0.291 0.000 1.035 993 V CB -0.951 30.793 31.823 -0.131 0.000 0.658 993 V HN 0.359 nan 8.190 nan 0.000 0.452 994 Y N 0.802 121.099 120.300 -0.006 0.000 2.181 994 Y HA -0.211 4.339 4.550 0.001 0.000 0.288 994 Y C 2.653 178.557 175.900 0.007 0.000 1.146 994 Y CA 1.474 59.580 58.100 0.010 0.000 1.164 994 Y CB -0.841 37.639 38.460 0.034 0.000 0.982 994 Y HN 0.318 nan 8.280 nan 0.000 0.515 995 N N 0.924 119.717 118.700 0.155 0.000 2.104 995 N HA -0.183 4.557 4.740 0.001 0.000 0.190 995 N C 1.533 177.069 175.510 0.044 0.000 1.024 995 N CA 1.628 54.745 53.050 0.112 0.000 0.853 995 N CB -0.282 38.252 38.487 0.078 0.000 1.008 995 N HN 0.389 nan 8.380 nan 0.000 0.424 996 L N 0.258 121.411 121.223 -0.116 0.000 2.313 996 L HA 0.024 4.365 4.340 0.001 0.000 0.214 996 L C 1.847 178.737 176.870 0.033 0.000 1.119 996 L CA 0.379 55.142 54.840 -0.129 0.000 0.809 996 L CB -0.168 41.683 42.059 -0.347 0.000 0.933 996 L HN 0.121 nan 8.230 nan 0.000 0.449 997 L N -0.684 120.596 121.223 0.096 0.000 2.607 997 L HA 0.144 4.485 4.340 0.001 0.000 0.228 997 L C 0.499 177.572 176.870 0.340 0.000 1.123 997 L CA -0.168 54.808 54.840 0.226 0.000 0.890 997 L CB 0.097 42.249 42.059 0.154 0.000 1.103 997 L HN 0.185 nan 8.230 nan 0.000 0.468 998 S N 0.620 116.510 115.700 0.317 0.000 3.608 998 S HA -0.191 4.279 4.470 0.001 0.000 0.382 998 S C 0.969 175.835 174.600 0.443 0.000 0.945 998 S CA 0.282 58.752 58.200 0.450 0.000 1.256 998 S CB -1.399 62.032 63.200 0.385 0.000 0.913 998 S HN 0.294 nan 8.310 nan 0.000 0.518 999 I N 0.964 121.697 120.570 0.271 0.000 3.291 999 I HA 0.034 4.204 4.170 0.001 0.000 0.279 999 I C 1.345 177.470 176.117 0.013 0.000 1.294 999 I CA 0.879 62.229 61.300 0.084 0.000 1.428 999 I CB -0.059 37.849 38.000 -0.154 0.000 1.070 999 I HN 0.397 nan 8.210 nan 0.000 0.478 1000 N N -1.043 117.624 118.700 -0.054 0.000 2.203 1000 N HA 0.092 4.833 4.740 0.001 0.000 0.207 1000 N C -0.624 174.548 175.510 -0.564 0.000 1.130 1000 N CA 0.152 53.002 53.050 -0.334 0.000 0.861 1000 N CB 0.468 38.671 38.487 -0.473 0.000 1.005 1000 N HN 0.213 nan 8.380 nan 0.000 0.507 1001 Y N -0.302 120.004 120.300 0.010 0.000 2.567 1001 Y HA 0.530 5.081 4.550 0.000 0.000 0.333 1001 Y C 1.703 177.542 175.900 -0.101 0.000 1.106 1001 Y CA -0.298 57.777 58.100 -0.042 0.000 1.157 1001 Y CB 0.671 39.115 38.460 -0.026 0.000 1.277 1001 Y HN 0.029 nan 8.280 nan 0.000 0.490 1002 G N 0.434 109.272 108.800 0.063 0.000 2.699 1002 G HA2 -0.441 3.519 3.960 0.001 0.000 0.351 1002 G HA3 -0.441 3.519 3.960 0.001 0.000 0.351 1002 G C 1.533 176.346 174.900 -0.144 0.000 1.191 1002 G CA 1.170 46.254 45.100 -0.026 0.000 0.953 1002 G HN 0.896 nan 8.290 nan 0.000 0.557 1003 C N -1.063 118.112 119.300 -0.209 0.000 2.518 1003 C HA 0.232 4.692 4.460 0.001 0.000 0.279 1003 C C 2.741 177.331 174.990 -0.666 0.000 1.279 1003 C CA 1.816 60.592 59.018 -0.403 0.000 1.703 1003 C CB -1.522 26.090 27.740 -0.213 0.000 2.072 1003 C HN 0.536 nan 8.230 nan 0.000 0.487 1004 Y N 2.377 122.461 120.300 -0.360 0.000 2.165 1004 Y HA -0.218 4.333 4.550 0.001 0.000 0.286 1004 Y C 2.638 178.439 175.900 -0.165 0.000 1.155 1004 Y CA 1.493 59.479 58.100 -0.190 0.000 1.164 1004 Y CB -1.658 36.974 38.460 0.287 0.000 0.978 1004 Y HN 0.592 nan 8.280 nan 0.000 0.513 1005 Q N 0.061 119.842 119.800 -0.031 0.000 2.325 1005 Q HA -0.196 4.145 4.340 0.001 0.000 0.211 1005 Q C 1.801 177.708 176.000 -0.154 0.000 0.988 1005 Q CA 2.004 57.743 55.803 -0.106 0.000 0.887 1005 Q CB -0.887 27.738 28.738 -0.189 0.000 0.915 1005 Q HN 0.496 nan 8.270 nan 0.000 0.440 1006 L N -0.251 120.803 121.223 -0.281 0.000 2.095 1006 L HA 0.051 4.392 4.340 0.001 0.000 0.204 1006 L C 0.485 177.338 176.870 -0.028 0.000 1.080 1006 L CA -0.079 54.628 54.840 -0.221 0.000 0.759 1006 L CB -0.160 41.700 42.059 -0.333 0.000 0.914 1006 L HN 0.117 nan 8.230 nan 0.000 0.439 1007 F N 0.391 120.337 119.950 -0.008 0.000 2.506 1007 F HA 0.065 4.592 4.527 0.001 0.000 0.351 1007 F C 0.760 176.481 175.800 -0.131 0.000 1.136 1007 F CA -1.470 56.453 58.000 -0.127 0.000 1.298 1007 F CB -0.281 38.539 39.000 -0.300 0.000 1.145 1007 F HN -0.126 nan 8.300 nan 0.000 0.593 1008 D N 2.178 122.580 120.400 0.003 0.000 2.483 1008 D HA 0.106 4.746 4.640 0.001 0.000 0.220 1008 D C 0.620 176.908 176.300 -0.020 0.000 1.173 1008 D CA -0.139 53.847 54.000 -0.022 0.000 0.964 1008 D CB -0.472 40.277 40.800 -0.085 0.000 1.046 1008 D HN 0.310 nan 8.370 nan 0.000 0.517 1009 F N 1.493 121.481 119.950 0.062 0.000 2.664 1009 F HA -0.015 4.512 4.527 0.000 0.000 0.297 1009 F C 1.457 177.311 175.800 0.091 0.000 1.164 1009 F CA 0.480 58.527 58.000 0.079 0.000 1.472 1009 F CB 0.014 39.075 39.000 0.101 0.000 1.108 1009 F HN 0.290 nan 8.300 nan 0.000 0.596 1010 N N -0.650 118.178 118.700 0.213 0.000 2.338 1010 N HA 0.015 4.756 4.740 0.001 0.000 0.251 1010 N C -0.007 175.556 175.510 0.088 0.000 1.199 1010 N CA 0.063 53.214 53.050 0.168 0.000 0.879 1010 N CB 0.444 39.049 38.487 0.196 0.000 1.159 1010 N HN -0.066 nan 8.380 nan 0.000 0.514 1011 S N 1.152 116.869 115.700 0.028 0.000 2.531 1011 S HA 0.243 4.713 4.470 0.001 0.000 0.279 1011 S C -1.406 173.192 174.600 -0.004 0.000 1.305 1011 S CA -0.971 57.221 58.200 -0.015 0.000 1.058 1011 S CB 1.379 64.526 63.200 -0.089 0.000 0.899 1011 S HN -0.021 nan 8.310 nan 0.000 0.493 1012 P HA -0.083 nan 4.420 nan 0.000 0.216 1012 P C 0.915 178.201 177.300 -0.023 0.000 1.153 1012 P CA 1.022 64.131 63.100 0.016 0.000 0.848 1012 P CB 0.065 31.782 31.700 0.030 0.000 0.787 1013 D N -0.748 119.622 120.400 -0.050 0.000 2.158 1013 D HA -0.172 4.469 4.640 0.001 0.000 0.197 1013 D C 1.838 178.012 176.300 -0.209 0.000 0.995 1013 D CA 1.099 55.018 54.000 -0.135 0.000 0.846 1013 D CB -0.482 40.227 40.800 -0.151 0.000 0.941 1013 D HN 0.109 nan 8.370 nan 0.000 0.456 1014 L N 1.261 122.376 121.223 -0.181 0.000 2.068 1014 L HA -0.068 4.272 4.340 0.001 0.000 0.204 1014 L C 2.095 178.920 176.870 -0.075 0.000 1.076 1014 L CA 1.616 56.346 54.840 -0.184 0.000 0.753 1014 L CB -0.613 41.351 42.059 -0.158 0.000 0.910 1014 L HN -0.251 nan 8.230 nan 0.000 0.439 1015 E N -0.111 120.083 120.200 -0.010 0.000 2.219 1015 E HA -0.242 4.109 4.350 0.001 0.000 0.198 1015 E C 2.026 178.659 176.600 0.056 0.000 0.998 1015 E CA 1.376 57.814 56.400 0.064 0.000 0.818 1015 E CB -0.021 29.731 29.700 0.087 0.000 0.741 1015 E HN 0.472 nan 8.360 nan 0.000 0.477 1016 K N -0.085 120.319 120.400 0.006 0.000 1.965 1016 K HA -0.124 4.197 4.320 0.001 0.000 0.218 1016 K C 2.054 178.663 176.600 0.015 0.000 1.048 1016 K CA 1.611 57.903 56.287 0.009 0.000 0.960 1016 K CB -0.544 31.937 32.500 -0.032 0.000 0.732 1016 K HN 0.149 nan 8.250 nan 0.000 0.444 1017 L N 1.489 122.696 121.223 -0.027 0.000 2.468 1017 L HA -0.158 4.182 4.340 0.001 0.000 0.225 1017 L C 0.648 177.527 176.870 0.015 0.000 1.139 1017 L CA 0.452 55.287 54.840 -0.010 0.000 0.792 1017 L CB -0.738 41.301 42.059 -0.033 0.000 0.916 1017 L HN 0.259 nan 8.230 nan 0.000 0.446 1018 I N 0.972 121.559 120.570 0.028 0.000 2.337 1018 I HA 0.193 4.364 4.170 0.001 0.000 0.285 1018 I C 0.039 176.191 176.117 0.058 0.000 1.041 1018 I CA -0.157 61.157 61.300 0.023 0.000 1.199 1018 I CB 1.186 39.197 38.000 0.019 0.000 1.370 1018 I HN 0.070 nan 8.210 nan 0.000 0.470 1019 R N 6.938 127.489 120.500 0.084 0.000 2.278 1019 R HA 0.577 4.917 4.340 0.001 0.000 0.322 1019 R C -0.437 175.853 176.300 -0.017 0.000 1.058 1019 R CA -0.077 56.099 56.100 0.126 0.000 0.991 1019 R CB 1.004 31.475 30.300 0.286 0.000 1.140 1019 R HN 0.484 nan 8.270 nan 0.000 0.518 1020 I N 4.222 124.694 120.570 -0.163 0.000 2.428 1020 I HA 0.277 4.447 4.170 0.001 0.000 0.279 1020 I C -2.200 173.551 176.117 -0.609 0.000 1.040 1020 I CA -2.415 58.612 61.300 -0.456 0.000 1.171 1020 I CB 1.933 39.487 38.000 -0.743 0.000 1.312 1020 I HN 0.219 nan 8.210 nan 0.000 0.470 1021 P HA 0.051 nan 4.420 nan 0.000 0.269 1021 P C -0.624 176.541 177.300 -0.225 0.000 1.252 1021 P CA 0.012 63.018 63.100 -0.157 0.000 0.780 1021 P CB -0.058 31.601 31.700 -0.067 0.000 0.829 1022 F N 3.001 122.979 119.950 0.046 0.000 2.651 1022 F HA 0.159 4.686 4.527 0.001 0.000 0.347 1022 F C 1.503 177.317 175.800 0.024 0.000 1.284 1022 F CA 0.064 58.091 58.000 0.045 0.000 1.175 1022 F CB -0.250 38.787 39.000 0.062 0.000 1.542 1022 F HN 0.193 nan 8.300 nan 0.000 0.661 1023 K N 1.374 121.832 120.400 0.096 0.000 2.551 1023 K HA 0.225 4.545 4.320 0.001 0.000 0.192 1023 K C 0.887 177.524 176.600 0.062 0.000 1.027 1023 K CA 0.141 56.465 56.287 0.061 0.000 1.059 1023 K CB 0.127 32.630 32.500 0.005 0.000 0.831 1023 K HN 0.696 nan 8.250 nan 0.000 0.508 1024 G N 0.978 109.839 108.800 0.100 0.000 2.768 1024 G HA2 0.146 4.106 3.960 0.001 0.000 0.297 1024 G HA3 0.146 4.106 3.960 0.001 0.000 0.297 1024 G C -1.679 173.277 174.900 0.093 0.000 1.430 1024 G CA -0.752 44.390 45.100 0.070 0.000 1.030 1024 G HN -0.028 nan 8.290 nan 0.000 0.553 1025 K N 2.048 122.471 120.400 0.039 0.000 2.363 1025 K HA 0.465 4.785 4.320 0.001 0.000 0.240 1025 K C -0.393 176.195 176.600 -0.020 0.000 1.169 1025 K CA -0.430 55.866 56.287 0.015 0.000 1.131 1025 K CB -0.001 32.485 32.500 -0.023 0.000 1.771 1025 K HN 0.408 nan 8.250 nan 0.000 0.380 1026 I N 4.325 124.904 120.570 0.014 0.000 2.796 1026 I HA 0.254 4.424 4.170 0.001 0.000 0.279 1026 I C -1.754 174.409 176.117 0.077 0.000 1.289 1026 I CA -2.390 58.894 61.300 -0.027 0.000 1.021 1026 I CB 1.108 39.063 38.000 -0.074 0.000 1.414 1026 I HN 0.373 nan 8.210 nan 0.000 0.562 1027 P HA -0.411 nan 4.420 nan 0.000 0.230 1027 P C 1.390 178.930 177.300 0.399 0.000 1.124 1027 P CA 2.809 65.968 63.100 0.099 0.000 0.985 1027 P CB -0.018 31.595 31.700 -0.144 0.000 0.774 1028 A N -0.518 122.588 122.820 0.477 0.000 1.873 1028 A HA -0.176 4.144 4.320 0.001 0.000 0.218 1028 A C 2.628 180.467 177.584 0.426 0.000 1.193 1028 A CA 2.874 55.213 52.037 0.503 0.000 0.629 1028 A CB -1.623 17.746 19.000 0.614 0.000 0.826 1028 A HN 0.155 nan 8.150 nan 0.000 0.447 1029 V N -0.351 119.768 119.914 0.342 0.000 2.295 1029 V HA -0.243 3.878 4.120 0.001 0.000 0.246 1029 V C 2.716 178.923 176.094 0.189 0.000 1.049 1029 V CA 2.484 64.904 62.300 0.200 0.000 1.024 1029 V CB -1.525 30.387 31.823 0.148 0.000 0.648 1029 V HN 0.614 nan 8.190 nan 0.000 0.447 1030 T N 0.419 115.133 114.554 0.267 0.000 2.665 1030 T HA -0.255 4.096 4.350 0.001 0.000 0.268 1030 T C 1.587 176.528 174.700 0.403 0.000 1.035 1030 T CA 2.307 64.613 62.100 0.343 0.000 1.151 1030 T CB -0.466 68.659 68.868 0.430 0.000 0.862 1030 T HN 0.466 nan 8.240 nan 0.000 0.438 1031 F N 1.860 121.972 119.950 0.270 0.000 2.008 1031 F HA -0.204 4.324 4.527 0.000 0.000 0.297 1031 F C 2.152 178.041 175.800 0.149 0.000 1.156 1031 F CA 1.374 59.510 58.000 0.226 0.000 1.191 1031 F CB -0.936 38.193 39.000 0.216 0.000 0.955 1031 F HN 0.065 nan 8.300 nan 0.000 0.497 1032 I N 0.654 121.187 120.570 -0.062 0.000 2.194 1032 I HA -0.315 3.855 4.170 0.001 0.000 0.246 1032 I C 2.214 178.271 176.117 -0.100 0.000 1.093 1032 I CA 1.613 62.771 61.300 -0.237 0.000 1.355 1032 I CB -0.767 37.221 38.000 -0.020 0.000 1.046 1032 I HN 0.371 nan 8.210 nan 0.000 0.413 1033 L N -0.543 120.677 121.223 -0.004 0.000 2.012 1033 L HA -0.295 4.045 4.340 0.001 0.000 0.210 1033 L C 2.662 179.610 176.870 0.130 0.000 1.073 1033 L CA 1.668 56.552 54.840 0.073 0.000 0.748 1033 L CB -1.007 41.023 42.059 -0.048 0.000 0.891 1033 L HN 0.394 nan 8.230 nan 0.000 0.431 1034 H N -0.894 118.191 119.070 0.024 0.000 2.326 1034 H HA -0.167 4.389 4.556 0.001 0.000 0.301 1034 H C 2.179 177.488 175.328 -0.032 0.000 1.081 1034 H CA 1.834 57.896 56.048 0.023 0.000 1.334 1034 H CB 0.068 29.861 29.762 0.052 0.000 1.385 1034 H HN 0.196 nan 8.280 nan 0.000 0.504 1035 L N 0.543 121.741 121.223 -0.041 0.000 2.017 1035 L HA -0.206 4.135 4.340 0.001 0.000 0.208 1035 L C 2.516 179.363 176.870 -0.039 0.000 1.073 1035 L CA 1.471 56.250 54.840 -0.103 0.000 0.745 1035 L CB -0.847 40.956 42.059 -0.426 0.000 0.894 1035 L HN 0.149 nan 8.230 nan 0.000 0.432 1036 Y N 0.206 120.433 120.300 -0.122 0.000 2.165 1036 Y HA -0.272 4.279 4.550 0.001 0.000 0.286 1036 Y C 2.268 178.094 175.900 -0.123 0.000 1.155 1036 Y CA 1.890 59.941 58.100 -0.080 0.000 1.164 1036 Y CB -0.595 37.843 38.460 -0.038 0.000 0.978 1036 Y HN 0.253 nan 8.280 nan 0.000 0.513 1037 A N 0.381 123.045 122.820 -0.261 0.000 1.898 1037 A HA -0.142 4.179 4.320 0.001 0.000 0.216 1037 A C 2.215 179.629 177.584 -0.283 0.000 1.181 1037 A CA 1.714 53.469 52.037 -0.470 0.000 0.620 1037 A CB -0.535 18.222 19.000 -0.405 0.000 0.819 1037 A HN 0.517 nan 8.150 nan 0.000 0.442 1038 K N -0.251 120.087 120.400 -0.104 0.000 2.063 1038 K HA -0.087 4.234 4.320 0.001 0.000 0.208 1038 K C 1.852 178.430 176.600 -0.037 0.000 1.048 1038 K CA 1.467 57.748 56.287 -0.012 0.000 0.928 1038 K CB -0.428 32.167 32.500 0.159 0.000 0.713 1038 K HN 0.466 nan 8.250 nan 0.000 0.442 1039 L N 0.990 122.186 121.223 -0.044 0.000 2.017 1039 L HA -0.188 4.152 4.340 0.001 0.000 0.208 1039 L C 2.502 179.294 176.870 -0.131 0.000 1.073 1039 L CA 1.124 55.927 54.840 -0.062 0.000 0.745 1039 L CB -0.407 41.617 42.059 -0.057 0.000 0.894 1039 L HN 0.183 nan 8.230 nan 0.000 0.432 1040 E N -0.054 119.963 120.200 -0.304 0.000 2.118 1040 E HA -0.181 4.170 4.350 0.001 0.000 0.195 1040 E C 2.332 178.868 176.600 -0.106 0.000 0.992 1040 E CA 1.172 57.413 56.400 -0.264 0.000 0.804 1040 E CB -0.229 29.175 29.700 -0.492 0.000 0.741 1040 E HN 0.298 nan 8.360 nan 0.000 0.458 1041 V N 1.437 121.282 119.914 -0.114 0.000 2.270 1041 V HA -0.235 3.885 4.120 0.001 0.000 0.245 1041 V C 2.420 178.544 176.094 0.049 0.000 1.043 1041 V CA 1.476 63.772 62.300 -0.007 0.000 1.014 1041 V CB -0.394 31.443 31.823 0.023 0.000 0.645 1041 V HN 0.206 nan 8.190 nan 0.000 0.447 1042 I N 0.469 121.044 120.570 0.009 0.000 2.286 1042 I HA -0.205 3.965 4.170 0.001 0.000 0.248 1042 I C 2.324 178.429 176.117 -0.021 0.000 1.115 1042 I CA 1.207 62.478 61.300 -0.049 0.000 1.392 1042 I CB -0.547 37.361 38.000 -0.153 0.000 1.065 1042 I HN 0.367 nan 8.210 nan 0.000 0.418 1043 N N 0.609 119.340 118.700 0.053 0.000 2.084 1043 N HA -0.243 4.498 4.740 0.001 0.000 0.190 1043 N C 1.859 177.400 175.510 0.051 0.000 1.030 1043 N CA 1.453 54.567 53.050 0.106 0.000 0.849 1043 N CB -0.703 37.853 38.487 0.115 0.000 1.012 1043 N HN 0.390 nan 8.380 nan 0.000 0.423 1044 Y N 1.551 121.803 120.300 -0.080 0.000 2.151 1044 Y HA -0.238 4.313 4.550 0.001 0.000 0.284 1044 Y C 2.294 178.071 175.900 -0.204 0.000 1.166 1044 Y CA 1.885 59.921 58.100 -0.106 0.000 1.163 1044 Y CB -0.180 38.224 38.460 -0.092 0.000 0.974 1044 Y HN 0.109 nan 8.280 nan 0.000 0.511 1045 A N -0.122 122.624 122.820 -0.123 0.000 1.969 1045 A HA -0.120 4.201 4.320 0.001 0.000 0.218 1045 A C 2.159 179.581 177.584 -0.270 0.000 1.169 1045 A CA 1.578 53.313 52.037 -0.502 0.000 0.635 1045 A CB -0.911 17.218 19.000 -1.452 0.000 0.810 1045 A HN 0.594 nan 8.150 nan 0.000 0.445 1046 I N -1.168 119.321 120.570 -0.135 0.000 2.676 1046 I HA -0.146 4.025 4.170 0.001 0.000 0.259 1046 I C 2.389 178.510 176.117 0.007 0.000 1.194 1046 I CA 1.514 62.816 61.300 0.004 0.000 1.473 1046 I CB -0.021 38.068 38.000 0.148 0.000 1.096 1046 I HN 0.415 nan 8.210 nan 0.000 0.443 1047 K N 0.503 120.855 120.400 -0.080 0.000 2.240 1047 K HA 0.045 4.365 4.320 0.001 0.000 0.202 1047 K C 1.684 178.177 176.600 -0.178 0.000 1.053 1047 K CA 0.461 56.682 56.287 -0.110 0.000 0.973 1047 K CB 0.284 32.693 32.500 -0.152 0.000 0.924 1047 K HN 0.123 nan 8.250 nan 0.000 0.477 1048 N N -0.292 118.233 118.700 -0.292 0.000 2.405 1048 N HA 0.030 4.771 4.740 0.001 0.000 0.175 1048 N C 0.891 176.292 175.510 -0.181 0.000 1.051 1048 N CA 1.182 54.070 53.050 -0.269 0.000 0.899 1048 N CB 1.081 39.295 38.487 -0.456 0.000 1.000 1048 N HN 0.484 nan 8.380 nan 0.000 0.451 1049 G N 0.823 109.502 108.800 -0.202 0.000 2.175 1049 G HA2 -0.270 3.690 3.960 0.001 0.000 0.244 1049 G HA3 -0.270 3.690 3.960 0.001 0.000 0.244 1049 G C 0.132 174.876 174.900 -0.261 0.000 0.982 1049 G CA 0.622 45.538 45.100 -0.307 0.000 0.641 1049 G HN 0.582 nan 8.290 nan 0.000 0.527 1050 S N -1.229 114.403 115.700 -0.113 0.000 2.634 1050 S HA 0.823 5.293 4.470 0.001 0.000 0.296 1050 S C -0.536 173.981 174.600 -0.140 0.000 1.104 1050 S CA -0.910 57.282 58.200 -0.014 0.000 0.920 1050 S CB 1.855 65.132 63.200 0.128 0.000 1.111 1050 S HN 0.526 nan 8.310 nan 0.000 0.493 1051 W N 0.709 122.069 121.300 0.101 0.000 2.497 1051 W HA 0.776 5.437 4.660 0.001 0.000 0.359 1051 W C 0.000 176.422 176.519 -0.162 0.000 1.131 1051 W CA -0.907 56.423 57.345 -0.024 0.000 1.280 1051 W CB 0.931 30.344 29.460 -0.079 0.000 1.319 1051 W HN 0.840 nan 8.180 nan 0.000 0.626 1052 I N -1.385 119.196 120.570 0.018 0.000 2.894 1052 I HA 0.719 4.890 4.170 0.001 0.000 0.302 1052 I C -0.616 175.480 176.117 -0.034 0.000 1.188 1052 I CA -1.006 60.205 61.300 -0.149 0.000 1.014 1052 I CB 2.235 39.940 38.000 -0.491 0.000 1.242 1052 I HN 0.098 nan 8.210 nan 0.000 0.430 1053 S N 3.272 118.957 115.700 -0.024 0.000 2.608 1053 S HA 0.786 5.256 4.470 0.001 0.000 0.291 1053 S C -0.784 173.831 174.600 0.025 0.000 1.146 1053 S CA -0.505 57.704 58.200 0.015 0.000 1.043 1053 S CB 1.542 64.768 63.200 0.044 0.000 1.037 1053 S HN 0.433 nan 8.310 nan 0.000 0.520 1054 L N 2.617 123.867 121.223 0.046 0.000 2.362 1054 L HA 0.603 4.943 4.340 0.001 0.000 0.275 1054 L C -1.122 175.909 176.870 0.269 0.000 0.998 1054 L CA -0.370 54.526 54.840 0.092 0.000 0.820 1054 L CB 1.328 43.299 42.059 -0.146 0.000 1.270 1054 L HN 0.637 nan 8.230 nan 0.000 0.415 1055 F N 3.977 124.069 119.950 0.237 0.000 2.469 1055 F HA 0.593 5.120 4.527 0.001 0.000 0.332 1055 F C -0.529 175.446 175.800 0.293 0.000 1.103 1055 F CA -0.832 57.290 58.000 0.204 0.000 0.979 1055 F CB 1.347 40.417 39.000 0.118 0.000 1.137 1055 F HN 0.501 nan 8.300 nan 0.000 0.463 1056 C N 6.127 124.995 119.300 -0.721 0.000 2.345 1056 C HA 0.554 5.014 4.460 0.001 0.000 0.323 1056 C C -0.631 173.822 174.990 -0.895 0.000 1.276 1056 C CA -0.569 57.980 59.018 -0.781 0.000 1.543 1056 C CB -0.290 27.051 27.740 -0.665 0.000 2.211 1056 C HN 0.898 nan 8.230 nan 0.000 0.493 1057 N N 3.075 121.477 118.700 -0.497 0.000 2.660 1057 N HA 0.180 4.921 4.740 0.001 0.000 0.316 1057 N C -1.066 174.356 175.510 -0.147 0.000 1.774 1057 N CA -0.394 52.511 53.050 -0.241 0.000 0.946 1057 N CB -0.173 38.322 38.487 0.014 0.000 1.322 1057 N HN 0.650 nan 8.380 nan 0.000 0.492 1058 Y N 1.734 121.796 120.300 -0.397 0.000 2.402 1058 Y HA 0.330 4.880 4.550 0.001 0.000 0.333 1058 Y C -2.149 173.500 175.900 -0.418 0.000 1.076 1058 Y CA -1.982 55.787 58.100 -0.553 0.000 1.299 1058 Y CB 0.730 38.871 38.460 -0.532 0.000 1.197 1058 Y HN 0.261 nan 8.280 nan 0.000 0.517 1059 P HA 0.074 nan 4.420 nan 0.000 0.269 1059 P C -0.059 177.036 177.300 -0.341 0.000 1.215 1059 P CA 0.001 62.804 63.100 -0.495 0.000 0.780 1059 P CB 0.887 32.258 31.700 -0.549 0.000 0.898 1060 K N 0.977 121.274 120.400 -0.171 0.000 2.031 1060 K HA -0.116 4.204 4.320 0.001 0.000 0.205 1060 K C 2.155 178.707 176.600 -0.081 0.000 1.049 1060 K CA 1.928 58.165 56.287 -0.084 0.000 0.939 1060 K CB -0.540 31.930 32.500 -0.048 0.000 0.717 1060 K HN 0.566 nan 8.250 nan 0.000 0.438 1061 S N 1.670 117.309 115.700 -0.102 0.000 2.359 1061 S HA -0.203 4.267 4.470 0.001 0.000 0.223 1061 S C 1.894 176.448 174.600 -0.078 0.000 1.039 1061 S CA 1.213 59.371 58.200 -0.071 0.000 1.042 1061 S CB -0.320 62.839 63.200 -0.069 0.000 0.915 1061 S HN 0.167 nan 8.310 nan 0.000 0.439 1062 E N 1.484 121.563 120.200 -0.201 0.000 2.118 1062 E HA -0.107 4.244 4.350 0.001 0.000 0.195 1062 E C 2.169 178.781 176.600 0.020 0.000 0.992 1062 E CA 1.332 57.594 56.400 -0.230 0.000 0.804 1062 E CB -0.596 28.656 29.700 -0.747 0.000 0.741 1062 E HN 0.671 nan 8.360 nan 0.000 0.458 1063 M N -0.149 119.505 119.600 0.090 0.000 2.089 1063 M HA -0.219 4.261 4.480 0.001 0.000 0.257 1063 M C 2.387 178.829 176.300 0.237 0.000 1.071 1063 M CA 1.302 56.768 55.300 0.276 0.000 1.096 1063 M CB -0.430 32.277 32.600 0.179 0.000 1.330 1063 M HN 0.076 nan 8.290 nan 0.000 0.403 1064 I N 0.422 121.090 120.570 0.163 0.000 2.546 1064 I HA -0.188 3.982 4.170 0.001 0.000 0.255 1064 I C 2.014 178.290 176.117 0.266 0.000 1.163 1064 I CA 1.603 63.033 61.300 0.217 0.000 1.457 1064 I CB -0.263 37.809 38.000 0.122 0.000 1.092 1064 I HN 0.146 nan 8.210 nan 0.000 0.434 1065 K N -0.473 120.035 120.400 0.181 0.000 2.057 1065 K HA -0.158 4.163 4.320 0.001 0.000 0.206 1065 K C 1.972 178.682 176.600 0.182 0.000 1.050 1065 K CA 1.462 57.842 56.287 0.155 0.000 0.935 1065 K CB -0.367 32.192 32.500 0.100 0.000 0.715 1065 K HN 0.223 nan 8.250 nan 0.000 0.439 1066 L N 0.247 121.601 121.223 0.219 0.000 1.988 1066 L HA -0.138 4.202 4.340 0.001 0.000 0.207 1066 L C 2.059 179.054 176.870 0.208 0.000 1.071 1066 L CA 1.632 56.589 54.840 0.196 0.000 0.744 1066 L CB -0.722 41.456 42.059 0.197 0.000 0.893 1066 L HN 0.309 nan 8.230 nan 0.000 0.433 1067 W N 0.954 122.330 121.300 0.127 0.000 2.276 1067 W HA -0.381 4.279 4.660 0.001 0.000 0.307 1067 W C 2.607 179.280 176.519 0.257 0.000 1.240 1067 W CA 2.811 60.264 57.345 0.181 0.000 1.249 1067 W CB -0.265 29.309 29.460 0.189 0.000 1.140 1067 W HN 0.182 nan 8.180 nan 0.000 0.519 1068 K N 0.856 121.328 120.400 0.119 0.000 2.025 1068 K HA -0.151 4.170 4.320 0.001 0.000 0.207 1068 K C 2.031 178.606 176.600 -0.041 0.000 1.049 1068 K CA 2.117 58.369 56.287 -0.059 0.000 0.933 1068 K CB -0.730 31.817 32.500 0.079 0.000 0.714 1068 K HN 0.112 nan 8.250 nan 0.000 0.438 1069 K N -0.051 120.361 120.400 0.020 0.000 2.044 1069 K HA -0.156 4.164 4.320 0.001 0.000 0.210 1069 K C 2.107 178.694 176.600 -0.023 0.000 1.049 1069 K CA 1.912 58.209 56.287 0.016 0.000 0.927 1069 K CB -0.225 32.296 32.500 0.035 0.000 0.713 1069 K HN 0.182 nan 8.250 nan 0.000 0.443 1070 M N -0.714 118.834 119.600 -0.085 0.000 2.116 1070 M HA -0.237 4.243 4.480 0.001 0.000 0.255 1070 M C 1.252 177.386 176.300 -0.277 0.000 1.075 1070 M CA 1.723 56.892 55.300 -0.218 0.000 1.087 1070 M CB -1.005 31.386 32.600 -0.349 0.000 1.340 1070 M HN 0.289 nan 8.290 nan 0.000 0.402 1071 W N 0.641 121.832 121.300 -0.182 0.000 3.391 1071 W HA 0.079 4.739 4.660 0.001 0.000 0.372 1071 W C 0.087 176.534 176.519 -0.120 0.000 1.171 1071 W CA -0.160 57.058 57.345 -0.212 0.000 1.862 1071 W CB -0.625 28.552 29.460 -0.473 0.000 1.048 1071 W HN 0.293 nan 8.180 nan 0.000 0.726 1072 N N 0.290 119.088 118.700 0.164 0.000 2.536 1072 N HA 0.199 4.939 4.740 0.001 0.000 0.286 1072 N C -0.544 175.064 175.510 0.163 0.000 1.577 1072 N CA -0.167 52.968 53.050 0.142 0.000 0.883 1072 N CB 0.295 38.822 38.487 0.068 0.000 1.390 1072 N HN -0.071 nan 8.380 nan 0.000 0.491 1073 I N 0.651 121.375 120.570 0.256 0.000 2.428 1073 I HA 0.247 4.417 4.170 0.001 0.000 0.289 1073 I C 0.213 176.433 176.117 0.172 0.000 1.019 1073 I CA -0.124 61.264 61.300 0.147 0.000 1.351 1073 I CB 1.160 39.192 38.000 0.053 0.000 1.412 1073 I HN 0.018 nan 8.210 nan 0.000 0.513 1074 T N 3.998 118.600 114.554 0.080 0.000 2.859 1074 T HA 0.260 4.611 4.350 0.001 0.000 0.281 1074 T C 0.000 174.716 174.700 0.026 0.000 1.005 1074 T CA -0.554 61.593 62.100 0.077 0.000 1.025 1074 T CB 1.400 70.293 68.868 0.042 0.000 0.977 1074 T HN 0.508 nan 8.240 nan 0.000 0.458 1075 S N 2.388 118.119 115.700 0.052 0.000 2.523 1075 S HA 0.391 4.861 4.470 0.001 0.000 0.275 1075 S C 0.054 174.643 174.600 -0.019 0.000 1.281 1075 S CA -0.695 57.505 58.200 -0.001 0.000 1.050 1075 S CB 0.143 63.374 63.200 0.052 0.000 0.937 1075 S HN 0.412 nan 8.310 nan 0.000 0.492 1076 L N 3.032 124.234 121.223 -0.035 0.000 2.334 1076 L HA 0.555 4.895 4.340 0.001 0.000 0.277 1076 L C 0.275 177.122 176.870 -0.038 0.000 1.075 1076 L CA -0.621 54.197 54.840 -0.037 0.000 0.804 1076 L CB 0.808 42.853 42.059 -0.023 0.000 1.174 1076 L HN 0.433 nan 8.230 nan 0.000 0.438 1077 R N 2.248 122.709 120.500 -0.065 0.000 2.393 1077 R HA 0.612 4.953 4.340 0.001 0.000 0.315 1077 R C -1.188 175.066 176.300 -0.077 0.000 0.952 1077 R CA -0.430 55.631 56.100 -0.066 0.000 0.842 1077 R CB 1.401 31.653 30.300 -0.079 0.000 1.163 1077 R HN 0.724 nan 8.270 nan 0.000 0.450 1078 S N 3.264 118.952 115.700 -0.021 0.000 2.625 1078 S HA 0.508 4.979 4.470 0.001 0.000 0.271 1078 S C -2.449 172.199 174.600 0.081 0.000 1.161 1078 S CA -1.249 56.962 58.200 0.017 0.000 0.820 1078 S CB 2.011 65.233 63.200 0.037 0.000 1.137 1078 S HN 0.341 nan 8.310 nan 0.000 0.470 1079 P HA -0.055 nan 4.420 nan 0.000 0.217 1079 P C 1.132 178.510 177.300 0.130 0.000 1.150 1079 P CA 0.908 64.092 63.100 0.140 0.000 0.832 1079 P CB -0.169 31.657 31.700 0.211 0.000 0.787 1080 Y N 0.368 120.691 120.300 0.039 0.000 2.097 1080 Y HA -0.257 4.293 4.550 0.001 0.000 0.282 1080 Y C 2.253 178.158 175.900 0.008 0.000 1.152 1080 Y CA 2.259 60.376 58.100 0.028 0.000 1.136 1080 Y CB -1.197 37.255 38.460 -0.013 0.000 0.975 1080 Y HN -0.128 nan 8.280 nan 0.000 0.498 1081 T N 0.537 115.163 114.554 0.120 0.000 2.607 1081 T HA -0.292 4.058 4.350 0.001 0.000 0.267 1081 T C 1.634 176.305 174.700 -0.048 0.000 1.049 1081 T CA 1.918 64.016 62.100 -0.003 0.000 1.162 1081 T CB -0.710 68.182 68.868 0.040 0.000 0.863 1081 T HN 0.526 nan 8.240 nan 0.000 0.424 1082 N N 1.371 120.083 118.700 0.020 0.000 2.149 1082 N HA -0.072 4.669 4.740 0.001 0.000 0.188 1082 N C 1.884 177.471 175.510 0.128 0.000 1.019 1082 N CA 1.643 54.748 53.050 0.092 0.000 0.857 1082 N CB -0.500 38.032 38.487 0.075 0.000 0.997 1082 N HN 0.357 nan 8.380 nan 0.000 0.426 1083 A N 0.606 123.442 122.820 0.027 0.000 1.892 1083 A HA -0.227 4.093 4.320 0.001 0.000 0.218 1083 A C 2.099 179.707 177.584 0.040 0.000 1.188 1083 A CA 1.939 53.987 52.037 0.018 0.000 0.631 1083 A CB -0.940 18.029 19.000 -0.050 0.000 0.822 1083 A HN 0.468 nan 8.150 nan 0.000 0.447 1084 N N -1.183 117.439 118.700 -0.130 0.000 2.166 1084 N HA -0.125 4.615 4.740 0.001 0.000 0.186 1084 N C 1.341 176.855 175.510 0.006 0.000 1.019 1084 N CA 1.413 54.349 53.050 -0.191 0.000 0.856 1084 N CB -0.621 37.466 38.487 -0.666 0.000 0.993 1084 N HN 0.532 nan 8.380 nan 0.000 0.426 1085 F N 0.366 120.273 119.950 -0.071 0.000 2.293 1085 F HA -0.050 4.478 4.527 0.001 0.000 0.300 1085 F C 1.942 177.813 175.800 0.119 0.000 1.086 1085 F CA 0.576 58.606 58.000 0.050 0.000 1.375 1085 F CB -0.336 38.690 39.000 0.042 0.000 1.045 1085 F HN -0.050 nan 8.300 nan 0.000 0.516 1086 F N 0.936 120.892 119.950 0.011 0.000 2.293 1086 F HA -0.089 4.438 4.527 0.000 0.000 0.300 1086 F C 1.703 177.449 175.800 -0.090 0.000 1.086 1086 F CA 0.956 58.930 58.000 -0.044 0.000 1.375 1086 F CB -0.427 38.582 39.000 0.016 0.000 1.045 1086 F HN -0.112 nan 8.300 nan 0.000 0.516 1087 Q N 2.020 121.807 119.800 -0.022 0.000 2.600 1087 Q HA 0.035 4.375 4.340 0.001 0.000 0.276 1087 Q C 0.004 175.907 176.000 -0.162 0.000 1.006 1087 Q CA 0.239 55.991 55.803 -0.085 0.000 0.942 1087 Q CB -0.587 28.166 28.738 0.024 0.000 1.383 1087 Q HN 0.604 nan 8.270 nan 0.000 0.414 1088 E N 0.000 120.018 120.200 -0.304 0.000 2.725 1088 E HA 0.000 4.350 4.350 0.001 0.000 0.291 1088 E CA 0.000 56.220 56.400 -0.300 0.000 0.976 1088 E CB 0.000 29.421 29.700 -0.465 0.000 0.812 1088 E HN 0.000 nan 8.360 nan 0.000 0.440