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 2zxq_1_A DATA FIRST_RESID 341 DATA SEQUENCE ASETLKTKKM EVQIKKNFPS VLQYTMTDGK VMYGQSKDVR TVEINGTNIE DATA SEQUENCE LGDDDVTFKK VSDTEATYTL KVKDEAKKID AVITVQITVK ANQLHLNVTK DATA SEQUENCE IKNNLSEGIP EGNGVEENAI QTLSFPNQSL VSVRSSQENA QFTGARMSSN DATA SEQUENCE TQKPGDTNFA VTEDTNVTDS DYTYGFISGA GLSAGLWSNS EHDGTYVAAP DATA SEQUENCE VRGGSQNTRV YATTQQTGDA TSLGLASAPW YYHRTVTDSK GKKYTVAETA DATA SEQUENCE LPQMAVAIAG DENEDGAVNW QDGAIAYRDI MNNPYKSEEV PELVAWRIAM DATA SEQUENCE NFGSQAQNPF LTTLDNVKKV ALNTDGLGQS VLLKGYGNEG HDSGHPDYGD DATA SEQUENCE IGQRLGGADD MNTMMEEGSK YGARFGVHVN ASEMYPEAKA FSEDMVRRNS DATA SEQUENCE AGGLSYGWNW LDQGVGIDGI YDLASGSRVS RFADLSKEVG DNMDFIYLDV DATA SEQUENCE WGNLTSSGSE DSWETRKMSK MINDNGWRMT TEWGSGNEYD STFQHWAADL DATA SEQUENCE TYGGYTSKGE NSEVMRFLRN HQKDSWVGDY PQYGGAANAP LLGGYNMKDF DATA SEQUENCE EGWQGRNDYA AYIKNLYTHD VSTKFIQHFK VTRWVNNPLL TADNGNAAAV DATA SEQUENCE SDPNTNNGNE QITLKDSNGN VVVVSRGSND TSSAAYRQRT ITFNGVKVAS DATA SEQUENCE GVVSAGDGSA TGDESYLLPW MWDSFTGKLV KDSEQKLYHW NTKGGTTTWT DATA SEQUENCE LPDSWKNLSS VKVYQLTDQG KTNEQTVAVS GGKVTLTADA ETPYVVYKGE DATA SEQUENCE AKQIQVNWSE GMHVVDAGFN GGSNTLTDNW TVSGSGKAEV EGDNNAMLRL DATA SEQUENCE TGKVDVSQRL TDLKAGQKYA LYVGVDNRST GDASVTVTSG GKVLATNSTG DATA SEQUENCE KSIAKNYIKA YGHNTNSNTE NGSSYFQNMY VFFTAPENGD ATVTLSHKST DATA SEQUENCE DGAHTYFDDV RIVENQYSGI TYEKDGTLKS LTNGFENNAQ GIWPFVVSGS DATA SEQUENCE EGVEDNRIHL SELHAPFTRA GWDVKKMDDV LDGTWSVKVN GLTQKGTLVY DATA SEQUENCE QTIPQNVKFE AGAKYKVSFD YQSGSDDIYA IAVGQGEYSA GSVKLTNLKK DATA SEQUENCE ALGETGKAEF ELTGGVNGDS WFGIYSTATA PDLQGSTGNA QDFGGYKDFV DATA SEQUENCE LDNLKIERIE SQTRTKAEAQ DKVKEIRGKY DSKRAXXXXX XWQQYQDTLV DATA SEQUENCE KARVLINKNG ATAEDFTKAY DILVALDEYM KTAP 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 341 A HA 0.000 nan 4.320 nan 0.000 0.244 341 A C 0.000 177.509 177.584 -0.125 0.000 1.274 341 A CA 0.000 51.992 52.037 -0.076 0.000 0.836 341 A CB 0.000 18.956 19.000 -0.073 0.000 0.831 342 S N -0.083 115.542 115.700 -0.124 0.000 2.607 342 S HA 0.918 5.387 4.470 -0.000 0.000 0.273 342 S C -1.041 173.482 174.600 -0.129 0.000 1.148 342 S CA -0.645 57.469 58.200 -0.143 0.000 0.833 342 S CB 2.217 65.374 63.200 -0.072 0.000 1.130 342 S HN 0.860 nan 8.310 nan 0.000 0.470 343 E N -0.054 120.082 120.200 -0.106 0.000 2.404 343 E HA 0.683 5.033 4.350 -0.000 0.000 0.264 343 E C -1.200 175.419 176.600 0.031 0.000 0.946 343 E CA -0.665 55.734 56.400 -0.000 0.000 0.806 343 E CB 2.334 32.104 29.700 0.117 0.000 1.334 343 E HN 0.776 nan 8.360 nan 0.000 0.429 344 T N 1.106 115.691 114.554 0.052 0.000 2.812 344 T HA 0.541 4.891 4.350 -0.000 0.000 0.282 344 T C -0.072 174.663 174.700 0.059 0.000 0.990 344 T CA -0.547 61.578 62.100 0.042 0.000 0.960 344 T CB 0.603 69.488 68.868 0.027 0.000 0.948 344 T HN 0.155 nan 8.240 nan 0.000 0.438 345 L N 3.041 124.299 121.223 0.058 0.000 2.344 345 L HA 0.664 5.004 4.340 -0.000 0.000 0.272 345 L C 0.122 177.024 176.870 0.054 0.000 1.035 345 L CA -0.968 53.909 54.840 0.062 0.000 0.807 345 L CB 1.231 43.337 42.059 0.078 0.000 1.237 345 L HN 0.435 nan 8.230 nan 0.000 0.442 346 K N 1.034 121.465 120.400 0.052 0.000 2.501 346 K HA 0.586 4.906 4.320 -0.000 0.000 0.252 346 K C -0.806 175.824 176.600 0.051 0.000 0.934 346 K CA -0.708 55.609 56.287 0.049 0.000 0.797 346 K CB 2.589 35.111 32.500 0.037 0.000 1.270 346 K HN 0.747 nan 8.250 nan 0.000 0.431 347 T N -2.070 112.517 114.554 0.055 0.000 2.773 347 T HA 0.340 4.690 4.350 -0.000 0.000 0.278 347 T C 0.675 175.401 174.700 0.042 0.000 1.011 347 T CA -0.911 61.219 62.100 0.051 0.000 1.014 347 T CB 1.368 70.273 68.868 0.063 0.000 1.293 347 T HN 0.466 nan 8.240 nan 0.000 0.554 348 K N 0.002 120.424 120.400 0.037 0.000 2.365 348 K HA 0.079 4.399 4.320 -0.000 0.000 0.199 348 K C 1.697 178.317 176.600 0.034 0.000 1.045 348 K CA 0.625 56.930 56.287 0.031 0.000 0.962 348 K CB 0.071 32.586 32.500 0.025 0.000 0.759 348 K HN 0.334 nan 8.250 nan 0.000 0.469 349 K N 0.013 120.439 120.400 0.042 0.000 2.348 349 K HA 0.175 4.495 4.320 -0.000 0.000 0.194 349 K C 0.948 177.580 176.600 0.053 0.000 1.052 349 K CA 0.388 56.701 56.287 0.044 0.000 1.004 349 K CB 0.579 33.107 32.500 0.047 0.000 0.873 349 K HN 0.251 nan 8.250 nan 0.000 0.523 350 M N -1.269 118.369 119.600 0.064 0.000 2.790 350 M HA 0.395 4.875 4.480 -0.000 0.000 0.272 350 M C -1.983 174.361 176.300 0.073 0.000 1.168 350 M CA -0.732 54.615 55.300 0.078 0.000 0.829 350 M CB 2.279 34.952 32.600 0.121 0.000 1.675 350 M HN -0.268 nan 8.290 nan 0.000 0.505 351 E N 1.099 121.338 120.200 0.065 0.000 2.199 351 E HA 0.697 5.047 4.350 -0.000 0.000 0.269 351 E C -1.455 175.165 176.600 0.033 0.000 0.899 351 E CA -1.149 55.279 56.400 0.048 0.000 0.772 351 E CB 3.337 33.056 29.700 0.031 0.000 1.155 351 E HN 0.491 nan 8.360 nan 0.000 0.408 352 V N 2.713 122.632 119.914 0.008 0.000 2.444 352 V HA 0.181 4.300 4.120 -0.000 0.000 0.294 352 V C -0.458 175.593 176.094 -0.071 0.000 1.022 352 V CA -0.854 61.396 62.300 -0.085 0.000 0.850 352 V CB 1.537 33.301 31.823 -0.098 0.000 0.992 352 V HN 0.597 nan 8.190 nan 0.000 0.426 353 Q N 4.624 124.364 119.800 -0.100 0.000 2.294 353 Q HA 0.603 4.942 4.340 -0.000 0.000 0.257 353 Q C -0.587 175.375 176.000 -0.064 0.000 0.955 353 Q CA -0.048 55.722 55.803 -0.056 0.000 0.936 353 Q CB 1.102 29.817 28.738 -0.037 0.000 1.188 353 Q HN 0.808 nan 8.270 nan 0.000 0.420 354 I N -0.381 120.180 120.570 -0.015 0.000 2.693 354 I HA 0.588 4.757 4.170 -0.000 0.000 0.303 354 I C -0.627 175.485 176.117 -0.008 0.000 1.025 354 I CA -1.239 60.074 61.300 0.022 0.000 1.086 354 I CB 1.932 40.015 38.000 0.139 0.000 1.268 354 I HN 0.283 nan 8.210 nan 0.000 0.440 355 K N 3.679 124.090 120.400 0.018 0.000 2.218 355 K HA 0.279 4.599 4.320 -0.000 0.000 0.276 355 K C 0.256 176.809 176.600 -0.079 0.000 1.022 355 K CA -0.559 55.714 56.287 -0.024 0.000 0.946 355 K CB 1.525 34.046 32.500 0.036 0.000 1.000 355 K HN 0.573 nan 8.250 nan 0.000 0.468 356 K N 1.230 121.447 120.400 -0.304 0.000 2.228 356 K HA -0.095 4.225 4.320 -0.000 0.000 0.202 356 K C 1.160 177.755 176.600 -0.007 0.000 1.051 356 K CA 1.004 56.945 56.287 -0.576 0.000 0.960 356 K CB 0.034 32.123 32.500 -0.685 0.000 0.743 356 K HN 0.546 nan 8.250 nan 0.000 0.458 357 N N 0.073 118.819 118.700 0.077 0.000 2.398 357 N HA -0.033 4.707 4.740 -0.000 0.000 0.188 357 N C -0.300 175.400 175.510 0.316 0.000 1.122 357 N CA 0.172 53.325 53.050 0.172 0.000 0.866 357 N CB 0.057 38.605 38.487 0.101 0.000 0.970 357 N HN 0.018 nan 8.380 nan 0.000 0.462 358 F N -0.297 119.691 119.950 0.064 0.000 2.725 358 F HA 0.324 4.850 4.527 -0.000 0.000 0.311 358 F C -2.694 172.806 175.800 -0.501 0.000 1.121 358 F CA -1.812 56.102 58.000 -0.143 0.000 0.978 358 F CB 1.659 40.587 39.000 -0.120 0.000 1.274 358 F HN -0.222 nan 8.300 nan 0.000 0.440 359 P HA 0.146 nan 4.420 nan 0.000 0.252 359 P C -0.901 176.099 177.300 -0.501 0.000 1.694 359 P CA 0.488 62.768 63.100 -1.366 0.000 1.163 359 P CB 0.388 31.255 31.700 -1.389 0.000 1.934 360 S N 0.992 116.591 115.700 -0.169 0.000 2.548 360 S HA 0.472 4.942 4.470 -0.000 0.000 0.286 360 S C -0.359 174.241 174.600 -0.001 0.000 1.098 360 S CA -0.628 57.576 58.200 0.007 0.000 0.930 360 S CB 1.682 64.942 63.200 0.100 0.000 1.070 360 S HN -0.020 nan 8.310 nan 0.000 0.480 361 V N 4.831 124.741 119.914 -0.006 0.000 2.439 361 V HA 0.339 4.459 4.120 -0.000 0.000 0.282 361 V C 0.883 176.951 176.094 -0.042 0.000 1.039 361 V CA -0.267 61.984 62.300 -0.083 0.000 0.913 361 V CB 1.354 33.038 31.823 -0.232 0.000 0.983 361 V HN 0.868 nan 8.190 nan 0.000 0.460 362 L N 3.181 124.372 121.223 -0.052 0.000 2.049 362 L HA 0.091 4.431 4.340 -0.000 0.000 0.203 362 L C 0.969 177.868 176.870 0.047 0.000 1.074 362 L CA 1.202 56.050 54.840 0.013 0.000 0.749 362 L CB 0.013 42.078 42.059 0.010 0.000 0.907 362 L HN 0.880 nan 8.230 nan 0.000 0.439 363 Q N -2.361 117.391 119.800 -0.081 0.000 2.633 363 Q HA 0.300 4.640 4.340 -0.000 0.000 0.289 363 Q C -1.848 173.986 176.000 -0.276 0.000 0.940 363 Q CA -0.860 54.888 55.803 -0.091 0.000 0.785 363 Q CB 1.245 29.971 28.738 -0.020 0.000 1.467 363 Q HN -0.052 nan 8.270 nan 0.000 0.401 364 Y N 0.296 120.585 120.300 -0.018 0.000 2.331 364 Y HA 0.538 5.088 4.550 -0.000 0.000 0.338 364 Y C -0.356 175.521 175.900 -0.038 0.000 0.992 364 Y CA -0.578 57.518 58.100 -0.007 0.000 1.121 364 Y CB 2.571 41.034 38.460 0.005 0.000 1.184 364 Y HN 0.520 nan 8.280 nan 0.000 0.469 365 T N 5.334 119.946 114.554 0.096 0.000 2.791 365 T HA 0.388 4.738 4.350 -0.000 0.000 0.288 365 T C -0.044 174.693 174.700 0.061 0.000 0.999 365 T CA -0.900 61.230 62.100 0.049 0.000 0.952 365 T CB 0.379 69.259 68.868 0.019 0.000 0.938 365 T HN 0.338 nan 8.240 nan 0.000 0.444 366 M N 1.780 121.409 119.600 0.049 0.000 2.202 366 M HA 0.262 4.742 4.480 -0.000 0.000 0.316 366 M C 1.914 178.232 176.300 0.031 0.000 1.138 366 M CA -0.304 55.022 55.300 0.044 0.000 1.151 366 M CB -0.344 32.275 32.600 0.031 0.000 1.422 366 M HN 0.515 nan 8.290 nan 0.000 0.471 367 T N 1.322 115.893 114.554 0.030 0.000 2.685 367 T HA -0.190 4.159 4.350 -0.000 0.000 0.268 367 T C 0.976 175.686 174.700 0.017 0.000 1.034 367 T CA 2.147 64.261 62.100 0.023 0.000 1.149 367 T CB -0.428 68.453 68.868 0.021 0.000 0.860 367 T HN 0.783 nan 8.240 nan 0.000 0.449 368 D N 0.574 120.983 120.400 0.014 0.000 2.363 368 D HA 0.155 4.795 4.640 -0.000 0.000 0.226 368 D C 1.502 177.808 176.300 0.009 0.000 1.020 368 D CA 0.868 54.874 54.000 0.010 0.000 0.892 368 D CB -0.761 40.043 40.800 0.008 0.000 0.900 368 D HN 0.541 nan 8.370 nan 0.000 0.531 369 G N -0.042 108.764 108.800 0.010 0.000 2.217 369 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.246 369 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.246 369 G C 0.276 175.176 174.900 -0.001 0.000 0.990 369 G CA 0.125 45.229 45.100 0.006 0.000 0.627 369 G HN 0.479 nan 8.290 nan 0.000 0.522 370 K N 0.259 120.658 120.400 -0.001 0.000 2.355 370 K HA 0.486 4.806 4.320 -0.000 0.000 0.270 370 K C 0.007 176.591 176.600 -0.026 0.000 1.003 370 K CA 0.037 56.317 56.287 -0.012 0.000 0.957 370 K CB 1.584 34.079 32.500 -0.007 0.000 0.939 370 K HN 0.078 nan 8.250 nan 0.000 0.482 371 V N 3.916 123.790 119.914 -0.068 0.000 2.604 371 V HA 0.397 4.517 4.120 -0.000 0.000 0.305 371 V C -0.504 175.476 176.094 -0.191 0.000 1.043 371 V CA -0.881 61.340 62.300 -0.133 0.000 0.888 371 V CB 1.731 33.416 31.823 -0.230 0.000 0.995 371 V HN 0.778 nan 8.190 nan 0.000 0.429 372 M N 4.183 123.715 119.600 -0.115 0.000 2.393 372 M HA 0.637 5.117 4.480 -0.000 0.000 0.316 372 M C -1.674 174.615 176.300 -0.019 0.000 1.087 372 M CA -0.442 54.814 55.300 -0.074 0.000 0.937 372 M CB 1.818 34.430 32.600 0.020 0.000 1.668 372 M HN 0.600 nan 8.290 nan 0.000 0.438 373 Y N 2.133 122.547 120.300 0.190 0.000 2.300 373 Y HA 0.581 5.131 4.550 -0.000 0.000 0.328 373 Y C 0.922 176.960 175.900 0.230 0.000 1.270 373 Y CA 0.550 58.750 58.100 0.166 0.000 1.352 373 Y CB 1.083 39.603 38.460 0.101 0.000 1.286 373 Y HN 0.851 nan 8.280 nan 0.000 0.536 374 G N 0.066 109.073 108.800 0.346 0.000 3.198 374 G HA2 0.213 4.173 3.960 -0.000 0.000 0.203 374 G HA3 0.213 4.173 3.960 -0.000 0.000 0.203 374 G C -0.817 174.190 174.900 0.179 0.000 1.950 374 G CA -0.143 45.112 45.100 0.259 0.000 0.798 374 G HN 0.365 nan 8.290 nan 0.000 0.720 375 Q N 0.539 120.405 119.800 0.111 0.000 2.462 375 Q HA 0.553 4.893 4.340 -0.000 0.000 0.247 375 Q C 0.367 176.386 176.000 0.032 0.000 1.044 375 Q CA -0.245 55.595 55.803 0.062 0.000 0.803 375 Q CB 1.238 30.004 28.738 0.048 0.000 1.190 375 Q HN 0.203 nan 8.270 nan 0.000 0.507 376 S N 2.526 118.230 115.700 0.008 0.000 2.527 376 S HA 0.153 4.623 4.470 -0.000 0.000 0.222 376 S C 0.058 174.635 174.600 -0.038 0.000 0.985 376 S CA 0.369 58.554 58.200 -0.025 0.000 0.921 376 S CB 0.227 63.362 63.200 -0.108 0.000 0.772 376 S HN 0.436 nan 8.310 nan 0.000 0.529 377 K N 1.381 121.757 120.400 -0.039 0.000 2.185 377 K HA 0.248 4.568 4.320 -0.000 0.000 0.240 377 K C -0.945 175.618 176.600 -0.062 0.000 0.983 377 K CA -0.791 55.466 56.287 -0.049 0.000 0.873 377 K CB 0.655 33.124 32.500 -0.051 0.000 1.118 377 K HN -0.169 nan 8.250 nan 0.000 0.441 378 D N 2.304 122.662 120.400 -0.069 0.000 2.416 378 D HA 0.093 4.733 4.640 -0.000 0.000 0.240 378 D C -1.212 175.006 176.300 -0.136 0.000 1.250 378 D CA -0.053 53.892 54.000 -0.093 0.000 0.967 378 D CB -0.027 40.730 40.800 -0.073 0.000 1.059 378 D HN 0.079 nan 8.370 nan 0.000 0.512 379 V N 5.562 125.359 119.914 -0.196 0.000 2.444 379 V HA 0.425 4.545 4.120 -0.000 0.000 0.294 379 V C 0.727 176.474 176.094 -0.579 0.000 1.022 379 V CA -0.717 61.427 62.300 -0.260 0.000 0.850 379 V CB 1.765 33.492 31.823 -0.161 0.000 0.992 379 V HN 0.378 nan 8.190 nan 0.000 0.426 380 R N 1.821 121.939 120.500 -0.636 0.000 2.661 380 R HA 0.251 4.591 4.340 -0.000 0.000 0.429 380 R C -0.319 175.658 176.300 -0.539 0.000 1.044 380 R CA -0.345 55.028 56.100 -1.213 0.000 1.065 380 R CB 1.186 31.077 30.300 -0.682 0.000 1.377 380 R HN 0.683 nan 8.270 nan 0.000 0.600 381 T N 0.892 115.285 114.554 -0.267 0.000 2.817 381 T HA 0.325 4.675 4.350 -0.000 0.000 0.293 381 T C 0.149 175.017 174.700 0.280 0.000 0.964 381 T CA -0.236 61.879 62.100 0.026 0.000 1.085 381 T CB 2.141 71.015 68.868 0.010 0.000 0.921 381 T HN -0.149 nan 8.240 nan 0.000 0.502 382 V N 3.193 123.259 119.914 0.253 0.000 2.487 382 V HA 0.414 4.534 4.120 -0.000 0.000 0.298 382 V C 0.089 176.217 176.094 0.056 0.000 1.028 382 V CA -0.926 61.507 62.300 0.223 0.000 0.860 382 V CB 1.802 33.778 31.823 0.255 0.000 0.991 382 V HN 0.830 nan 8.190 nan 0.000 0.427 383 E N 5.339 125.517 120.200 -0.036 0.000 2.174 383 E HA 0.531 4.881 4.350 -0.000 0.000 0.282 383 E C -1.521 175.035 176.600 -0.073 0.000 0.992 383 E CA -0.369 56.001 56.400 -0.051 0.000 0.803 383 E CB 1.493 31.152 29.700 -0.067 0.000 1.090 383 E HN 0.657 nan 8.360 nan 0.000 0.396 384 I N 4.047 124.595 120.570 -0.037 0.000 2.498 384 I HA 0.159 4.329 4.170 -0.000 0.000 0.290 384 I C -0.064 176.046 176.117 -0.010 0.000 1.032 384 I CA -0.799 60.484 61.300 -0.028 0.000 1.073 384 I CB 1.510 39.500 38.000 -0.016 0.000 1.251 384 I HN 0.552 nan 8.210 nan 0.000 0.426 385 N N 4.644 123.343 118.700 -0.002 0.000 2.708 385 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 385 N C 0.847 176.357 175.510 -0.001 0.000 1.097 385 N CA 1.414 54.470 53.050 0.010 0.000 0.710 385 N CB -1.048 37.453 38.487 0.022 0.000 1.032 385 N HN 1.175 nan 8.380 nan 0.000 0.551 386 G N -2.798 105.992 108.800 -0.016 0.000 2.176 386 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.253 386 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.253 386 G C 0.138 175.030 174.900 -0.012 0.000 0.979 386 G CA 0.619 45.710 45.100 -0.016 0.000 0.641 386 G HN 0.511 nan 8.290 nan 0.000 0.530 387 T N 1.860 116.409 114.554 -0.009 0.000 2.767 387 T HA 0.527 4.876 4.350 -0.000 0.000 0.284 387 T C -0.046 174.652 174.700 -0.002 0.000 0.973 387 T CA -0.485 61.613 62.100 -0.004 0.000 0.996 387 T CB 1.032 69.901 68.868 0.002 0.000 0.927 387 T HN 0.246 nan 8.240 nan 0.000 0.456 388 N N 2.860 121.559 118.700 -0.001 0.000 2.488 388 N HA 0.452 5.192 4.740 -0.000 0.000 0.274 388 N C -0.685 174.834 175.510 0.015 0.000 1.111 388 N CA -0.235 52.819 53.050 0.007 0.000 0.974 388 N CB 0.579 39.067 38.487 0.001 0.000 1.089 388 N HN 0.526 nan 8.380 nan 0.000 0.465 389 I N 0.878 121.467 120.570 0.032 0.000 2.478 389 I HA 0.192 4.362 4.170 -0.000 0.000 0.287 389 I C 0.015 176.163 176.117 0.052 0.000 1.042 389 I CA -0.660 60.664 61.300 0.039 0.000 1.067 389 I CB 1.918 39.947 38.000 0.048 0.000 1.233 389 I HN 0.152 nan 8.210 nan 0.000 0.431 390 E N 5.494 125.712 120.200 0.029 0.000 2.174 390 E HA 0.393 4.743 4.350 -0.000 0.000 0.282 390 E C -1.120 175.501 176.600 0.036 0.000 0.992 390 E CA -0.884 55.523 56.400 0.012 0.000 0.803 390 E CB 1.998 31.684 29.700 -0.024 0.000 1.090 390 E HN 0.280 nan 8.360 nan 0.000 0.396 391 L N 2.260 123.519 121.223 0.060 0.000 2.334 391 L HA 0.385 4.725 4.340 -0.000 0.000 0.277 391 L C 0.883 177.794 176.870 0.068 0.000 1.075 391 L CA 0.056 54.962 54.840 0.110 0.000 0.804 391 L CB 1.432 43.642 42.059 0.250 0.000 1.174 391 L HN 0.526 nan 8.230 nan 0.000 0.438 392 G N 0.695 109.536 108.800 0.069 0.000 2.601 392 G HA2 0.311 4.271 3.960 -0.000 0.000 0.317 392 G HA3 0.311 4.271 3.960 -0.000 0.000 0.317 392 G C 0.201 175.143 174.900 0.071 0.000 1.246 392 G CA -0.397 44.733 45.100 0.051 0.000 1.012 392 G HN 0.621 nan 8.290 nan 0.000 0.494 393 D N -0.111 120.322 120.400 0.055 0.000 2.158 393 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 393 D C 1.556 177.898 176.300 0.069 0.000 0.995 393 D CA 1.158 55.195 54.000 0.062 0.000 0.846 393 D CB 0.150 40.974 40.800 0.041 0.000 0.941 393 D HN 0.327 nan 8.370 nan 0.000 0.456 394 D N 0.254 120.689 120.400 0.058 0.000 2.355 394 D HA -0.054 4.586 4.640 -0.000 0.000 0.218 394 D C 0.810 177.149 176.300 0.065 0.000 1.004 394 D CA 0.398 54.431 54.000 0.055 0.000 0.880 394 D CB 0.029 40.854 40.800 0.041 0.000 0.911 394 D HN 0.230 nan 8.370 nan 0.000 0.528 395 D N 0.035 120.484 120.400 0.081 0.000 2.340 395 D HA 0.024 4.664 4.640 -0.000 0.000 0.220 395 D C 0.184 176.551 176.300 0.112 0.000 1.039 395 D CA 0.272 54.328 54.000 0.092 0.000 0.866 395 D CB 1.347 42.209 40.800 0.104 0.000 0.913 395 D HN 0.014 nan 8.370 nan 0.000 0.523 396 V N 0.922 120.911 119.914 0.125 0.000 2.577 396 V HA 0.335 4.455 4.120 -0.000 0.000 0.303 396 V C 0.074 176.255 176.094 0.145 0.000 1.042 396 V CA -0.779 61.614 62.300 0.154 0.000 0.872 396 V CB 2.146 34.099 31.823 0.216 0.000 0.998 396 V HN 0.041 nan 8.190 nan 0.000 0.423 397 T N 1.502 116.137 114.554 0.134 0.000 2.912 397 T HA 0.835 5.184 4.350 -0.000 0.000 0.288 397 T C -1.019 173.757 174.700 0.126 0.000 1.030 397 T CA -0.617 61.553 62.100 0.117 0.000 1.020 397 T CB 2.205 71.108 68.868 0.057 0.000 1.056 397 T HN 0.474 nan 8.240 nan 0.000 0.480 398 F N 0.719 120.610 119.950 -0.099 0.000 2.565 398 F HA 0.757 5.284 4.527 -0.000 0.000 0.313 398 F C -0.759 174.909 175.800 -0.220 0.000 1.091 398 F CA -0.956 56.885 58.000 -0.265 0.000 0.915 398 F CB 1.938 40.799 39.000 -0.230 0.000 1.208 398 F HN 0.839 nan 8.300 nan 0.000 0.453 399 K N 5.337 124.998 120.400 -1.232 0.000 2.581 399 K HA 0.263 4.583 4.320 -0.000 0.000 0.249 399 K C -1.689 174.228 176.600 -1.137 0.000 0.966 399 K CA -0.834 54.906 56.287 -0.912 0.000 0.811 399 K CB 1.688 33.920 32.500 -0.446 0.000 1.223 399 K HN 0.770 nan 8.250 nan 0.000 0.438 400 K N 4.196 124.114 120.400 -0.803 0.000 2.284 400 K HA 0.131 4.451 4.320 -0.000 0.000 0.287 400 K C 0.450 176.900 176.600 -0.250 0.000 1.081 400 K CA -0.347 55.683 56.287 -0.429 0.000 0.910 400 K CB 1.000 33.439 32.500 -0.102 0.000 1.088 400 K HN 0.421 nan 8.250 nan 0.000 0.478 401 V N 2.536 122.321 119.914 -0.216 0.000 2.407 401 V HA -0.102 4.018 4.120 -0.000 0.000 0.245 401 V C 0.719 176.764 176.094 -0.082 0.000 1.041 401 V CA 1.538 63.756 62.300 -0.138 0.000 1.040 401 V CB -0.277 31.473 31.823 -0.122 0.000 0.671 401 V HN 0.979 nan 8.190 nan 0.000 0.455 402 S N -2.353 113.310 115.700 -0.062 0.000 2.724 402 S HA 0.265 4.735 4.470 -0.000 0.000 0.278 402 S C -0.087 174.507 174.600 -0.010 0.000 1.190 402 S CA -0.329 57.853 58.200 -0.030 0.000 0.860 402 S CB 1.091 64.277 63.200 -0.023 0.000 1.206 402 S HN 0.034 nan 8.310 nan 0.000 0.507 403 D N 1.388 121.791 120.400 0.004 0.000 2.309 403 D HA 0.044 4.684 4.640 -0.000 0.000 0.212 403 D C 1.665 177.982 176.300 0.029 0.000 0.968 403 D CA 1.937 55.949 54.000 0.020 0.000 0.882 403 D CB -0.232 40.580 40.800 0.020 0.000 0.918 403 D HN 0.761 nan 8.370 nan 0.000 0.503 404 T N -3.159 111.408 114.554 0.022 0.000 3.054 404 T HA 0.200 4.550 4.350 -0.000 0.000 0.255 404 T C 0.396 175.118 174.700 0.036 0.000 1.035 404 T CA -0.483 61.638 62.100 0.035 0.000 0.941 404 T CB 0.914 69.800 68.868 0.029 0.000 1.026 404 T HN 0.026 nan 8.240 nan 0.000 0.533 405 E N -0.039 120.170 120.200 0.015 0.000 2.335 405 E HA 0.613 4.962 4.350 -0.000 0.000 0.280 405 E C -1.961 174.606 176.600 -0.055 0.000 0.918 405 E CA -0.888 55.510 56.400 -0.002 0.000 0.765 405 E CB 1.952 31.639 29.700 -0.022 0.000 1.218 405 E HN 0.311 nan 8.360 nan 0.000 0.425 406 A N 2.492 125.277 122.820 -0.059 0.000 2.475 406 A HA 0.772 5.091 4.320 -0.000 0.000 0.301 406 A C -0.981 176.462 177.584 -0.236 0.000 1.059 406 A CA -0.570 51.318 52.037 -0.248 0.000 0.710 406 A CB 2.233 21.131 19.000 -0.170 0.000 1.288 406 A HN 0.445 nan 8.150 nan 0.000 0.408 407 T N 1.266 115.539 114.554 -0.469 0.000 2.863 407 T HA 0.652 5.002 4.350 -0.000 0.000 0.285 407 T C -1.411 173.028 174.700 -0.435 0.000 1.009 407 T CA 0.049 61.978 62.100 -0.284 0.000 0.989 407 T CB 0.670 69.407 68.868 -0.218 0.000 1.004 407 T HN 0.417 nan 8.240 nan 0.000 0.455 408 Y N 0.450 120.692 120.300 -0.096 0.000 2.462 408 Y HA 0.549 5.098 4.550 -0.000 0.000 0.346 408 Y C 0.505 176.370 175.900 -0.059 0.000 0.976 408 Y CA -0.979 57.091 58.100 -0.050 0.000 1.044 408 Y CB 2.260 40.679 38.460 -0.069 0.000 1.230 408 Y HN 0.469 nan 8.280 nan 0.000 0.455 409 T N 4.524 119.147 114.554 0.115 0.000 2.809 409 T HA 0.507 4.857 4.350 -0.000 0.000 0.284 409 T C -1.166 173.581 174.700 0.078 0.000 0.992 409 T CA -0.571 61.567 62.100 0.063 0.000 0.957 409 T CB 0.498 69.383 68.868 0.028 0.000 0.942 409 T HN 0.157 nan 8.240 nan 0.000 0.439 410 L N 3.788 125.045 121.223 0.055 0.000 2.305 410 L HA 0.474 4.814 4.340 -0.000 0.000 0.284 410 L C 0.116 177.023 176.870 0.061 0.000 1.013 410 L CA -0.689 54.190 54.840 0.065 0.000 0.819 410 L CB 1.202 43.292 42.059 0.051 0.000 1.227 410 L HN 0.471 nan 8.230 nan 0.000 0.417 411 K N 2.717 123.159 120.400 0.070 0.000 2.285 411 K HA 0.566 4.886 4.320 -0.000 0.000 0.286 411 K C -0.849 175.792 176.600 0.068 0.000 1.072 411 K CA -0.238 56.083 56.287 0.057 0.000 0.913 411 K CB 1.181 33.712 32.500 0.053 0.000 1.067 411 K HN 0.266 nan 8.250 nan 0.000 0.479 412 V N 4.067 124.014 119.914 0.054 0.000 2.349 412 V HA 0.333 4.453 4.120 -0.000 0.000 0.284 412 V C -0.471 175.646 176.094 0.039 0.000 1.014 412 V CA -0.765 61.570 62.300 0.058 0.000 0.826 412 V CB 0.986 32.843 31.823 0.056 0.000 1.009 412 V HN 0.652 nan 8.190 nan 0.000 0.431 413 K N 3.104 123.528 120.400 0.040 0.000 2.468 413 K HA 0.598 4.918 4.320 -0.000 0.000 0.252 413 K C -1.874 174.743 176.600 0.028 0.000 0.932 413 K CA -0.516 55.789 56.287 0.030 0.000 0.794 413 K CB 2.084 34.602 32.500 0.030 0.000 1.241 413 K HN 0.636 nan 8.250 nan 0.000 0.428 414 D N 3.699 124.113 120.400 0.022 0.000 2.337 414 D HA 0.094 4.734 4.640 -0.000 0.000 0.238 414 D C 0.103 176.413 176.300 0.016 0.000 1.331 414 D CA -0.138 53.873 54.000 0.018 0.000 0.967 414 D CB 1.309 42.119 40.800 0.017 0.000 1.382 414 D HN 0.700 nan 8.370 nan 0.000 0.549 415 E N 1.560 121.769 120.200 0.015 0.000 2.097 415 E HA -0.218 4.131 4.350 -0.000 0.000 0.196 415 E C 1.860 178.468 176.600 0.012 0.000 1.000 415 E CA 1.550 57.958 56.400 0.014 0.000 0.804 415 E CB 0.243 29.950 29.700 0.013 0.000 0.740 415 E HN 0.571 nan 8.360 nan 0.000 0.454 416 A N 0.891 123.717 122.820 0.011 0.000 1.978 416 A HA -0.167 4.152 4.320 -0.000 0.000 0.220 416 A C 1.757 179.346 177.584 0.009 0.000 1.170 416 A CA 1.302 53.344 52.037 0.009 0.000 0.636 416 A CB -0.025 18.979 19.000 0.007 0.000 0.810 416 A HN -0.033 nan 8.150 nan 0.000 0.448 417 K N -0.819 119.587 120.400 0.010 0.000 2.399 417 K HA 0.109 4.429 4.320 -0.000 0.000 0.204 417 K C -0.388 176.220 176.600 0.013 0.000 1.023 417 K CA -0.127 56.166 56.287 0.010 0.000 1.127 417 K CB 0.563 33.069 32.500 0.009 0.000 0.856 417 K HN 0.323 nan 8.250 nan 0.000 0.514 418 K N 0.542 120.950 120.400 0.014 0.000 3.162 418 K HA -0.165 4.155 4.320 -0.000 0.000 0.268 418 K C -0.539 176.073 176.600 0.020 0.000 1.062 418 K CA 0.569 56.866 56.287 0.017 0.000 0.769 418 K CB -1.999 30.511 32.500 0.018 0.000 1.274 418 K HN 0.272 nan 8.250 nan 0.000 0.478 419 I N 0.639 121.220 120.570 0.019 0.000 2.447 419 I HA 0.250 4.420 4.170 -0.000 0.000 0.287 419 I C -0.283 175.846 176.117 0.020 0.000 1.023 419 I CA -0.588 60.723 61.300 0.020 0.000 1.083 419 I CB 1.998 40.009 38.000 0.017 0.000 1.245 419 I HN -0.041 nan 8.210 nan 0.000 0.434 420 D N 6.133 126.545 120.400 0.020 0.000 2.337 420 D HA 0.608 5.247 4.640 -0.000 0.000 0.238 420 D C -1.342 174.967 176.300 0.015 0.000 1.331 420 D CA -0.061 53.951 54.000 0.019 0.000 0.967 420 D CB 1.540 42.352 40.800 0.020 0.000 1.382 420 D HN 0.600 nan 8.370 nan 0.000 0.549 421 A N 1.885 124.712 122.820 0.011 0.000 2.454 421 A HA 0.790 5.110 4.320 -0.000 0.000 0.302 421 A C -1.176 176.408 177.584 -0.000 0.000 1.079 421 A CA -0.621 51.414 52.037 -0.002 0.000 0.731 421 A CB 1.906 20.895 19.000 -0.019 0.000 1.299 421 A HN 0.217 nan 8.150 nan 0.000 0.413 422 V N 3.017 122.923 119.914 -0.013 0.000 2.407 422 V HA 0.391 4.511 4.120 -0.000 0.000 0.291 422 V C -0.844 175.230 176.094 -0.033 0.000 1.018 422 V CA -0.411 61.884 62.300 -0.008 0.000 0.842 422 V CB 1.225 33.047 31.823 -0.001 0.000 0.996 422 V HN 0.666 nan 8.190 nan 0.000 0.426 423 I N 3.636 124.193 120.570 -0.022 0.000 2.339 423 I HA 0.402 4.572 4.170 -0.000 0.000 0.290 423 I C 0.441 176.547 176.117 -0.018 0.000 0.994 423 I CA -0.094 61.181 61.300 -0.042 0.000 1.191 423 I CB 1.631 39.624 38.000 -0.012 0.000 1.343 423 I HN 0.498 nan 8.210 nan 0.000 0.458 424 T N 5.961 120.492 114.554 -0.038 0.000 2.767 424 T HA 0.564 4.914 4.350 -0.000 0.000 0.288 424 T C 0.127 174.817 174.700 -0.016 0.000 0.963 424 T CA -0.413 61.678 62.100 -0.016 0.000 1.019 424 T CB 1.730 70.582 68.868 -0.026 0.000 0.923 424 T HN 0.276 nan 8.240 nan 0.000 0.468 425 V N 3.810 123.738 119.914 0.022 0.000 2.540 425 V HA 0.455 4.575 4.120 -0.000 0.000 0.302 425 V C -0.167 175.981 176.094 0.091 0.000 1.035 425 V CA -0.930 61.377 62.300 0.011 0.000 0.873 425 V CB 1.825 33.585 31.823 -0.104 0.000 0.992 425 V HN 0.829 nan 8.190 nan 0.000 0.428 426 Q N 4.251 124.083 119.800 0.053 0.000 2.293 426 Q HA 0.663 5.003 4.340 -0.000 0.000 0.261 426 Q C -1.511 174.554 176.000 0.109 0.000 0.960 426 Q CA -0.562 55.286 55.803 0.074 0.000 0.882 426 Q CB 1.777 30.535 28.738 0.032 0.000 1.275 426 Q HN 0.746 nan 8.270 nan 0.000 0.445 427 I N 3.571 124.235 120.570 0.156 0.000 2.378 427 I HA 0.370 4.539 4.170 -0.000 0.000 0.291 427 I C -0.208 175.991 176.117 0.137 0.000 0.992 427 I CA -0.548 60.850 61.300 0.164 0.000 1.154 427 I CB 2.018 40.147 38.000 0.214 0.000 1.315 427 I HN 0.701 nan 8.210 nan 0.000 0.448 428 T N 3.174 117.822 114.554 0.157 0.000 2.906 428 T HA 0.803 5.153 4.350 -0.000 0.000 0.295 428 T C -0.568 174.244 174.700 0.187 0.000 1.075 428 T CA -0.783 61.396 62.100 0.132 0.000 1.005 428 T CB 2.041 70.957 68.868 0.079 0.000 1.136 428 T HN 0.378 nan 8.240 nan 0.000 0.498 429 V N -0.682 119.322 119.914 0.149 0.000 2.789 429 V HA 0.954 5.074 4.120 -0.000 0.000 0.311 429 V C -1.090 175.083 176.094 0.132 0.000 1.073 429 V CA -1.291 61.112 62.300 0.171 0.000 0.921 429 V CB 1.406 33.315 31.823 0.145 0.000 1.009 429 V HN 1.360 nan 8.190 nan 0.000 0.426 430 K N 3.269 123.758 120.400 0.148 0.000 2.525 430 K HA 0.910 5.230 4.320 -0.000 0.000 0.254 430 K C 0.113 176.772 176.600 0.099 0.000 0.934 430 K CA -0.118 56.229 56.287 0.099 0.000 0.802 430 K CB 2.001 34.542 32.500 0.069 0.000 1.295 430 K HN 2.128 nan 8.250 nan 0.000 0.433 431 A N 2.629 125.492 122.820 0.072 0.000 5.395 431 A HA -0.368 3.951 4.320 -0.000 0.000 0.324 431 A C 0.599 178.229 177.584 0.077 0.000 1.813 431 A CA 1.733 53.809 52.037 0.064 0.000 0.714 431 A CB -2.108 16.925 19.000 0.054 0.000 1.374 431 A HN 1.233 nan 8.150 nan 0.000 0.390 432 N N 1.224 119.966 118.700 0.070 0.000 2.276 432 N HA 0.168 4.908 4.740 -0.000 0.000 0.212 432 N C 0.036 175.587 175.510 0.069 0.000 1.127 432 N CA 0.709 53.800 53.050 0.067 0.000 0.834 432 N CB 0.080 38.593 38.487 0.043 0.000 1.014 432 N HN 0.784 nan 8.380 nan 0.000 0.491 433 Q N 0.654 120.513 119.800 0.099 0.000 2.245 433 Q HA 0.526 4.865 4.340 -0.000 0.000 0.256 433 Q C -1.073 175.017 176.000 0.150 0.000 0.942 433 Q CA -0.718 55.139 55.803 0.090 0.000 0.896 433 Q CB 2.810 31.635 28.738 0.146 0.000 1.272 433 Q HN 0.235 nan 8.270 nan 0.000 0.442 434 L N 2.087 123.365 121.223 0.092 0.000 2.385 434 L HA 0.478 4.818 4.340 -0.000 0.000 0.273 434 L C -1.297 175.582 176.870 0.014 0.000 0.990 434 L CA -0.515 54.430 54.840 0.175 0.000 0.821 434 L CB 1.340 43.585 42.059 0.310 0.000 1.279 434 L HN 0.681 nan 8.230 nan 0.000 0.412 435 H N 5.647 124.815 119.070 0.163 0.000 2.469 435 H HA 0.452 5.008 4.556 -0.000 0.000 0.342 435 H C -1.245 174.171 175.328 0.146 0.000 1.115 435 H CA -0.647 55.504 56.048 0.172 0.000 1.204 435 H CB 2.772 32.619 29.762 0.142 0.000 1.492 435 H HN 0.512 nan 8.280 nan 0.000 0.499 436 L N 3.998 125.363 121.223 0.236 0.000 2.372 436 L HA 0.338 4.678 4.340 -0.000 0.000 0.273 436 L C -1.153 175.787 176.870 0.117 0.000 0.989 436 L CA -0.637 54.288 54.840 0.142 0.000 0.841 436 L CB 0.674 42.793 42.059 0.100 0.000 1.225 436 L HN 0.545 nan 8.230 nan 0.000 0.414 437 N N 3.903 122.640 118.700 0.061 0.000 2.258 437 N HA 0.366 5.106 4.740 -0.000 0.000 0.299 437 N C -1.039 174.425 175.510 -0.078 0.000 1.047 437 N CA -0.456 52.590 53.050 -0.006 0.000 0.814 437 N CB 2.911 41.421 38.487 0.038 0.000 1.413 437 N HN 0.216 nan 8.380 nan 0.000 0.478 438 V N 1.939 121.738 119.914 -0.192 0.000 2.372 438 V HA 0.109 4.229 4.120 -0.000 0.000 0.261 438 V C 1.590 177.598 176.094 -0.144 0.000 1.055 438 V CA -0.075 62.114 62.300 -0.185 0.000 0.930 438 V CB 0.220 31.856 31.823 -0.312 0.000 1.031 438 V HN 0.852 nan 8.190 nan 0.000 0.479 439 T N 1.188 115.691 114.554 -0.086 0.000 3.057 439 T HA 0.197 4.546 4.350 -0.000 0.000 0.254 439 T C 0.498 175.164 174.700 -0.056 0.000 1.094 439 T CA 0.132 62.199 62.100 -0.056 0.000 1.088 439 T CB 0.323 69.172 68.868 -0.032 0.000 0.934 439 T HN 0.480 nan 8.240 nan 0.000 0.497 440 K N 0.220 120.569 120.400 -0.085 0.000 2.557 440 K HA 0.588 4.908 4.320 -0.000 0.000 0.257 440 K C -2.177 174.332 176.600 -0.152 0.000 0.933 440 K CA -0.811 55.426 56.287 -0.083 0.000 0.820 440 K CB 1.968 34.442 32.500 -0.044 0.000 1.330 440 K HN 0.162 nan 8.250 nan 0.000 0.432 441 I N 3.694 124.138 120.570 -0.211 0.000 2.439 441 I HA 0.296 4.466 4.170 -0.000 0.000 0.285 441 I C -0.711 175.323 176.117 -0.138 0.000 1.021 441 I CA -0.694 60.427 61.300 -0.299 0.000 1.091 441 I CB 1.881 39.421 38.000 -0.768 0.000 1.242 441 I HN 0.389 nan 8.210 nan 0.000 0.439 442 K N 5.465 125.817 120.400 -0.080 0.000 2.235 442 K HA 0.343 4.662 4.320 -0.000 0.000 0.266 442 K C -0.708 175.885 176.600 -0.012 0.000 0.980 442 K CA -0.588 55.688 56.287 -0.020 0.000 0.849 442 K CB 1.057 33.553 32.500 -0.008 0.000 1.098 442 K HN 0.434 nan 8.250 nan 0.000 0.445 443 N N 3.767 122.478 118.700 0.018 0.000 2.457 443 N HA 0.137 4.876 4.740 -0.000 0.000 0.250 443 N C -0.230 175.298 175.510 0.031 0.000 0.982 443 N CA -0.303 52.763 53.050 0.027 0.000 0.941 443 N CB 0.958 39.476 38.487 0.052 0.000 1.120 443 N HN 0.609 nan 8.380 nan 0.000 0.505 444 N N 2.891 121.605 118.700 0.024 0.000 2.512 444 N HA 0.012 4.752 4.740 -0.000 0.000 0.183 444 N C 0.810 176.336 175.510 0.027 0.000 1.073 444 N CA 0.521 53.585 53.050 0.024 0.000 0.911 444 N CB 0.407 38.906 38.487 0.020 0.000 0.964 444 N HN 0.610 nan 8.380 nan 0.000 0.447 445 L N -0.666 120.576 121.223 0.031 0.000 2.700 445 L HA 0.230 4.569 4.340 -0.000 0.000 0.234 445 L C 0.467 177.359 176.870 0.038 0.000 1.156 445 L CA -0.142 54.717 54.840 0.032 0.000 0.946 445 L CB 0.169 42.246 42.059 0.030 0.000 1.216 445 L HN -0.082 nan 8.230 nan 0.000 0.493 446 S N -1.066 114.660 115.700 0.044 0.000 2.550 446 S HA 0.322 4.792 4.470 -0.000 0.000 0.270 446 S C -0.130 174.503 174.600 0.055 0.000 1.145 446 S CA -0.483 57.749 58.200 0.054 0.000 0.852 446 S CB 1.982 65.226 63.200 0.074 0.000 1.119 446 S HN 0.057 nan 8.310 nan 0.000 0.465 447 E N 1.486 121.718 120.200 0.053 0.000 2.463 447 E HA 0.473 4.823 4.350 -0.000 0.000 0.193 447 E C 0.801 177.440 176.600 0.066 0.000 1.041 447 E CA 1.147 57.578 56.400 0.051 0.000 0.879 447 E CB 0.515 30.237 29.700 0.038 0.000 0.997 447 E HN 1.111 nan 8.360 nan 0.000 0.478 448 G N -0.076 108.778 108.800 0.089 0.000 2.466 448 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.316 448 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.316 448 G C -0.634 174.315 174.900 0.081 0.000 1.270 448 G CA -0.619 44.552 45.100 0.118 0.000 0.982 448 G HN 0.073 nan 8.290 nan 0.000 0.506 449 I N 2.489 123.081 120.570 0.036 0.000 2.396 449 I HA 0.286 4.456 4.170 -0.000 0.000 0.289 449 I C -1.558 174.558 176.117 -0.003 0.000 1.056 449 I CA -1.497 59.794 61.300 -0.015 0.000 1.365 449 I CB 1.101 39.028 38.000 -0.122 0.000 1.407 449 I HN 0.250 nan 8.210 nan 0.000 0.509 450 P HA 0.018 nan 4.420 nan 0.000 0.269 450 P C -0.314 176.989 177.300 0.005 0.000 1.217 450 P CA -0.334 62.771 63.100 0.008 0.000 0.783 450 P CB 0.454 32.158 31.700 0.007 0.000 0.898 451 E N 0.902 121.107 120.200 0.007 0.000 2.481 451 E HA 0.260 4.610 4.350 -0.000 0.000 0.263 451 E C 1.266 177.876 176.600 0.017 0.000 0.992 451 E CA 1.692 58.097 56.400 0.008 0.000 0.938 451 E CB -0.528 29.177 29.700 0.009 0.000 0.933 451 E HN 0.692 nan 8.360 nan 0.000 0.453 452 G N 4.146 112.958 108.800 0.020 0.000 2.176 452 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.252 452 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.252 452 G C 0.039 174.989 174.900 0.083 0.000 1.024 452 G CA 0.227 45.353 45.100 0.044 0.000 0.755 452 G HN 0.703 nan 8.290 nan 0.000 0.507 453 N N -1.423 117.310 118.700 0.054 0.000 2.740 453 N HA -0.139 4.601 4.740 -0.000 0.000 0.248 453 N C 1.180 176.765 175.510 0.125 0.000 1.062 453 N CA 1.718 54.819 53.050 0.085 0.000 0.704 453 N CB -1.269 37.284 38.487 0.110 0.000 0.968 453 N HN 1.686 nan 8.380 nan 0.000 0.547 454 G N -0.847 107.982 108.800 0.049 0.000 2.699 454 G HA2 0.313 4.273 3.960 -0.000 0.000 0.246 454 G HA3 0.313 4.273 3.960 -0.000 0.000 0.246 454 G C 0.457 175.362 174.900 0.008 0.000 1.219 454 G CA -0.360 44.742 45.100 0.004 0.000 0.866 454 G HN 0.167 nan 8.290 nan 0.000 0.572 455 V N 0.775 120.679 119.914 -0.017 0.000 2.529 455 V HA 0.055 4.175 4.120 -0.000 0.000 0.292 455 V C 0.783 176.885 176.094 0.014 0.000 1.028 455 V CA 0.188 62.487 62.300 -0.000 0.000 1.074 455 V CB 1.003 32.816 31.823 -0.017 0.000 0.958 455 V HN 0.795 nan 8.190 nan 0.000 0.481 456 E N 4.708 124.926 120.200 0.030 0.000 2.089 456 E HA 0.160 4.510 4.350 -0.000 0.000 0.284 456 E C -0.304 176.325 176.600 0.049 0.000 1.023 456 E CA -0.735 55.694 56.400 0.049 0.000 0.819 456 E CB 0.592 30.343 29.700 0.085 0.000 1.076 456 E HN 0.616 nan 8.360 nan 0.000 0.396 457 E N 3.712 123.935 120.200 0.038 0.000 2.384 457 E HA -0.023 4.327 4.350 -0.000 0.000 0.266 457 E C 0.070 176.696 176.600 0.044 0.000 1.012 457 E CA 0.189 56.609 56.400 0.033 0.000 0.901 457 E CB 0.405 30.119 29.700 0.024 0.000 0.967 457 E HN 0.598 nan 8.360 nan 0.000 0.435 458 N N -0.484 118.241 118.700 0.041 0.000 2.800 458 N HA -0.210 4.530 4.740 -0.000 0.000 0.250 458 N C -0.251 175.298 175.510 0.065 0.000 1.078 458 N CA 1.006 54.083 53.050 0.046 0.000 0.804 458 N CB -1.665 36.845 38.487 0.039 0.000 1.135 458 N HN 0.600 nan 8.380 nan 0.000 0.565 459 A N 0.572 123.441 122.820 0.082 0.000 2.587 459 A HA 0.205 4.525 4.320 -0.000 0.000 0.235 459 A C 0.885 178.538 177.584 0.115 0.000 1.044 459 A CA 0.346 52.455 52.037 0.121 0.000 0.754 459 A CB -0.003 19.078 19.000 0.136 0.000 0.968 459 A HN 0.330 nan 8.150 nan 0.000 0.509 460 I N 2.988 123.643 120.570 0.142 0.000 2.294 460 I HA 0.028 4.198 4.170 -0.000 0.000 0.295 460 I C 1.295 177.548 176.117 0.227 0.000 1.098 460 I CA 0.192 61.581 61.300 0.149 0.000 1.277 460 I CB 0.566 38.638 38.000 0.120 0.000 1.434 460 I HN 0.847 nan 8.210 nan 0.000 0.498 461 Q N 3.284 123.185 119.800 0.169 0.000 2.200 461 Q HA 0.049 4.389 4.340 -0.000 0.000 0.197 461 Q C 0.538 176.684 176.000 0.244 0.000 0.953 461 Q CA 0.830 56.752 55.803 0.198 0.000 0.851 461 Q CB 0.370 29.185 28.738 0.128 0.000 0.938 461 Q HN 0.771 nan 8.270 nan 0.000 0.488 462 T N -1.146 113.485 114.554 0.128 0.000 2.893 462 T HA 0.649 4.999 4.350 -0.000 0.000 0.291 462 T C -1.049 173.654 174.700 0.006 0.000 1.028 462 T CA -0.868 61.251 62.100 0.030 0.000 0.995 462 T CB 2.044 70.858 68.868 -0.092 0.000 1.051 462 T HN 0.037 nan 8.240 nan 0.000 0.470 463 L N 1.780 123.001 121.223 -0.004 0.000 2.455 463 L HA 0.859 5.198 4.340 -0.000 0.000 0.264 463 L C -0.697 176.119 176.870 -0.091 0.000 0.968 463 L CA 0.092 54.900 54.840 -0.053 0.000 0.827 463 L CB 2.145 44.178 42.059 -0.044 0.000 1.317 463 L HN 1.272 nan 8.230 nan 0.000 0.407 464 S N 2.168 117.693 115.700 -0.291 0.000 2.643 464 S HA 0.709 5.179 4.470 -0.000 0.000 0.270 464 S C -1.369 172.909 174.600 -0.537 0.000 1.166 464 S CA -0.626 57.309 58.200 -0.442 0.000 0.815 464 S CB 1.098 64.046 63.200 -0.420 0.000 1.139 464 S HN 0.328 nan 8.310 nan 0.000 0.472 465 F N 1.180 121.153 119.950 0.037 0.000 2.451 465 F HA 0.496 5.023 4.527 -0.000 0.000 0.367 465 F C -2.672 173.156 175.800 0.047 0.000 1.100 465 F CA -2.069 56.002 58.000 0.118 0.000 1.171 465 F CB 0.911 40.036 39.000 0.209 0.000 1.405 465 F HN 0.259 nan 8.300 nan 0.000 0.482 466 P HA -0.063 nan 4.420 nan 0.000 0.262 466 P C 0.440 177.794 177.300 0.090 0.000 1.182 466 P CA 0.579 63.731 63.100 0.086 0.000 0.761 466 P CB 0.381 32.108 31.700 0.045 0.000 0.795 467 N N 1.931 120.677 118.700 0.078 0.000 2.716 467 N HA -0.240 4.500 4.740 -0.000 0.000 0.250 467 N C 1.072 176.625 175.510 0.072 0.000 1.033 467 N CA 1.292 54.377 53.050 0.058 0.000 0.727 467 N CB -0.959 37.539 38.487 0.018 0.000 0.950 467 N HN 0.621 nan 8.380 nan 0.000 0.541 468 Q N -1.263 118.610 119.800 0.122 0.000 2.291 468 Q HA -0.052 4.288 4.340 -0.000 0.000 0.205 468 Q C 0.528 176.592 176.000 0.107 0.000 0.970 468 Q CA 1.292 57.180 55.803 0.141 0.000 0.876 468 Q CB -0.100 28.764 28.738 0.210 0.000 0.935 468 Q HN 0.434 nan 8.270 nan 0.000 0.455 469 S N -0.106 115.654 115.700 0.100 0.000 3.447 469 S HA -0.154 4.316 4.470 -0.000 0.000 0.371 469 S C 0.547 175.229 174.600 0.137 0.000 0.951 469 S CA 0.377 58.640 58.200 0.105 0.000 1.269 469 S CB -1.130 62.119 63.200 0.082 0.000 0.919 469 S HN 0.596 nan 8.310 nan 0.000 0.516 470 L N 2.484 123.797 121.223 0.150 0.000 2.131 470 L HA 0.186 4.526 4.340 -0.000 0.000 0.210 470 L C 0.862 177.903 176.870 0.285 0.000 1.092 470 L CA 2.328 57.285 54.840 0.195 0.000 0.759 470 L CB -0.031 42.136 42.059 0.181 0.000 0.903 470 L HN 0.754 nan 8.230 nan 0.000 0.435 471 V N -3.136 116.907 119.914 0.215 0.000 2.962 471 V HA 0.892 5.012 4.120 -0.000 0.000 0.313 471 V C -0.585 175.616 176.094 0.178 0.000 1.099 471 V CA -0.091 62.337 62.300 0.214 0.000 0.971 471 V CB 1.438 33.305 31.823 0.074 0.000 1.028 471 V HN 0.245 nan 8.190 nan 0.000 0.430 472 S N 1.525 117.346 115.700 0.201 0.000 2.570 472 S HA 0.947 5.417 4.470 -0.000 0.000 0.270 472 S C -0.747 173.973 174.600 0.200 0.000 1.149 472 S CA -0.169 58.138 58.200 0.178 0.000 0.837 472 S CB 1.538 64.836 63.200 0.164 0.000 1.124 472 S HN 2.347 nan 8.310 nan 0.000 0.465 473 V N -1.033 118.980 119.914 0.165 0.000 3.102 473 V HA 0.839 4.958 4.120 -0.000 0.000 0.312 473 V C -0.888 175.287 176.094 0.135 0.000 1.135 473 V CA -1.221 61.180 62.300 0.169 0.000 1.022 473 V CB 1.701 33.604 31.823 0.132 0.000 1.056 473 V HN 1.101 nan 8.190 nan 0.000 0.436 474 R N 0.685 121.264 120.500 0.131 0.000 2.750 474 R HA 0.493 4.833 4.340 -0.000 0.000 0.281 474 R C 1.176 177.523 176.300 0.078 0.000 0.972 474 R CA -0.043 56.108 56.100 0.084 0.000 0.912 474 R CB 2.145 32.482 30.300 0.063 0.000 1.187 474 R HN 1.008 nan 8.270 nan 0.000 0.464 475 S N -0.097 115.638 115.700 0.059 0.000 2.440 475 S HA -0.200 4.270 4.470 -0.000 0.000 0.240 475 S C 1.538 176.170 174.600 0.052 0.000 1.014 475 S CA 1.677 59.911 58.200 0.057 0.000 0.980 475 S CB -0.247 62.979 63.200 0.044 0.000 0.775 475 S HN 0.692 nan 8.310 nan 0.000 0.499 476 S N 0.183 115.913 115.700 0.049 0.000 2.562 476 S HA 0.158 4.628 4.470 -0.000 0.000 0.221 476 S C 0.577 175.217 174.600 0.066 0.000 0.975 476 S CA -0.433 57.796 58.200 0.049 0.000 0.918 476 S CB -0.329 62.895 63.200 0.039 0.000 0.772 476 S HN 0.643 nan 8.310 nan 0.000 0.531 477 Q N 1.424 121.272 119.800 0.081 0.000 2.227 477 Q HA 0.342 4.682 4.340 -0.000 0.000 0.245 477 Q C -0.371 175.669 176.000 0.067 0.000 0.926 477 Q CA -0.473 55.382 55.803 0.087 0.000 0.895 477 Q CB 0.994 29.800 28.738 0.113 0.000 1.230 477 Q HN 0.449 nan 8.270 nan 0.000 0.450 478 E N 1.519 121.753 120.200 0.057 0.000 2.366 478 E HA -0.105 4.245 4.350 -0.000 0.000 0.266 478 E C -0.770 175.856 176.600 0.044 0.000 1.015 478 E CA 0.297 56.724 56.400 0.045 0.000 0.906 478 E CB 0.042 29.764 29.700 0.036 0.000 0.979 478 E HN 0.638 nan 8.360 nan 0.000 0.443 479 N N 1.681 120.407 118.700 0.043 0.000 2.735 479 N HA -0.252 4.487 4.740 -0.000 0.000 0.248 479 N C -1.076 174.462 175.510 0.048 0.000 1.083 479 N CA 0.184 53.258 53.050 0.041 0.000 0.703 479 N CB -0.904 37.600 38.487 0.028 0.000 1.005 479 N HN 0.518 nan 8.380 nan 0.000 0.550 480 A N 1.152 124.009 122.820 0.061 0.000 2.492 480 A HA 0.359 4.679 4.320 -0.000 0.000 0.254 480 A C 0.639 178.266 177.584 0.072 0.000 1.091 480 A CA 0.503 52.583 52.037 0.073 0.000 0.768 480 A CB 0.354 19.405 19.000 0.085 0.000 1.028 480 A HN 0.421 nan 8.150 nan 0.000 0.498 481 Q N 1.244 121.078 119.800 0.058 0.000 2.522 481 Q HA 0.705 5.045 4.340 -0.000 0.000 0.285 481 Q C -1.679 174.307 176.000 -0.023 0.000 0.982 481 Q CA -0.762 55.050 55.803 0.015 0.000 0.805 481 Q CB 1.359 30.098 28.738 0.002 0.000 1.457 481 Q HN 0.689 nan 8.270 nan 0.000 0.394 482 F N 0.484 120.191 119.950 -0.405 0.000 2.551 482 F HA 0.728 5.255 4.527 -0.000 0.000 0.316 482 F C -1.467 173.970 175.800 -0.606 0.000 1.089 482 F CA -0.229 57.454 58.000 -0.529 0.000 0.915 482 F CB 2.719 41.238 39.000 -0.801 0.000 1.186 482 F HN 0.616 nan 8.300 nan 0.000 0.456 483 T N 3.970 117.681 114.554 -1.406 0.000 2.879 483 T HA 0.705 5.054 4.350 -0.000 0.000 0.290 483 T C -0.436 173.336 174.700 -1.547 0.000 0.993 483 T CA -0.689 60.696 62.100 -1.192 0.000 0.975 483 T CB 1.366 69.675 68.868 -0.931 0.000 0.981 483 T HN 0.946 nan 8.240 nan 0.000 0.439 484 G N 1.058 109.181 108.800 -1.129 0.000 2.574 484 G HA2 0.796 4.756 3.960 -0.000 0.000 0.299 484 G HA3 0.796 4.756 3.960 -0.000 0.000 0.299 484 G C -1.539 173.239 174.900 -0.204 0.000 1.298 484 G CA -0.869 43.769 45.100 -0.771 0.000 0.952 484 G HN 0.933 nan 8.290 nan 0.000 0.477 485 A N 0.818 123.700 122.820 0.104 0.000 2.393 485 A HA 0.916 5.236 4.320 -0.000 0.000 0.306 485 A C -0.154 177.640 177.584 0.349 0.000 1.050 485 A CA -0.710 51.447 52.037 0.201 0.000 0.724 485 A CB 1.626 20.749 19.000 0.205 0.000 1.248 485 A HN 0.689 nan 8.150 nan 0.000 0.424 486 R N 0.443 121.107 120.500 0.275 0.000 2.912 486 R HA 0.592 4.932 4.340 -0.000 0.000 0.262 486 R C -0.752 175.674 176.300 0.210 0.000 1.057 486 R CA -1.150 55.087 56.100 0.229 0.000 0.981 486 R CB 1.652 32.055 30.300 0.172 0.000 1.201 486 R HN 0.709 nan 8.270 nan 0.000 0.484 487 M N 1.290 121.013 119.600 0.204 0.000 2.188 487 M HA 0.204 4.684 4.480 -0.000 0.000 0.354 487 M C -0.757 175.655 176.300 0.187 0.000 1.342 487 M CA 0.597 56.011 55.300 0.189 0.000 1.117 487 M CB 1.002 33.691 32.600 0.148 0.000 1.670 487 M HN 0.395 nan 8.290 nan 0.000 0.466 488 S N 2.318 118.115 115.700 0.163 0.000 2.672 488 S HA 0.549 5.019 4.470 -0.000 0.000 0.291 488 S C 0.223 174.895 174.600 0.121 0.000 1.145 488 S CA -0.252 58.032 58.200 0.140 0.000 1.013 488 S CB 0.810 64.088 63.200 0.129 0.000 1.017 488 S HN 0.832 nan 8.310 nan 0.000 0.487 489 S N 3.247 118.999 115.700 0.086 0.000 2.556 489 S HA 0.197 4.667 4.470 -0.000 0.000 0.216 489 S C 0.350 174.971 174.600 0.035 0.000 0.970 489 S CA -0.401 57.836 58.200 0.061 0.000 0.912 489 S CB -0.288 62.929 63.200 0.027 0.000 0.790 489 S HN 0.625 nan 8.310 nan 0.000 0.504 490 N N 2.768 121.497 118.700 0.048 0.000 2.426 490 N HA 0.124 4.864 4.740 -0.000 0.000 0.257 490 N C 1.061 176.655 175.510 0.140 0.000 1.002 490 N CA 0.344 53.415 53.050 0.036 0.000 0.942 490 N CB 1.758 40.258 38.487 0.023 0.000 1.112 490 N HN 0.341 nan 8.380 nan 0.000 0.499 491 T N 0.938 115.615 114.554 0.204 0.000 2.977 491 T HA -0.107 4.243 4.350 -0.000 0.000 0.271 491 T C 1.006 175.845 174.700 0.232 0.000 1.105 491 T CA 1.215 63.461 62.100 0.242 0.000 1.116 491 T CB 0.019 69.067 68.868 0.301 0.000 0.878 491 T HN 0.587 nan 8.240 nan 0.000 0.509 492 Q N 0.158 120.114 119.800 0.260 0.000 2.282 492 Q HA 0.251 4.591 4.340 -0.000 0.000 0.206 492 Q C -0.176 175.913 176.000 0.148 0.000 0.878 492 Q CA 0.135 56.050 55.803 0.187 0.000 0.944 492 Q CB 0.526 29.369 28.738 0.175 0.000 1.100 492 Q HN 0.466 nan 8.270 nan 0.000 0.509 493 K N 1.586 122.071 120.400 0.143 0.000 2.575 493 K HA 0.342 4.662 4.320 -0.000 0.000 0.236 493 K C -2.789 173.871 176.600 0.100 0.000 0.976 493 K CA -1.899 54.451 56.287 0.106 0.000 0.985 493 K CB 1.767 34.321 32.500 0.090 0.000 1.198 493 K HN -0.158 nan 8.250 nan 0.000 0.464 494 P HA -0.040 nan 4.420 nan 0.000 0.266 494 P C 0.823 178.168 177.300 0.075 0.000 1.195 494 P CA 0.127 63.272 63.100 0.075 0.000 0.768 494 P CB 0.831 32.559 31.700 0.046 0.000 0.838 495 G N 1.669 110.520 108.800 0.084 0.000 2.744 495 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.211 495 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.211 495 G C 0.080 175.031 174.900 0.084 0.000 1.143 495 G CA 0.154 45.316 45.100 0.103 0.000 0.788 495 G HN 0.419 nan 8.290 nan 0.000 0.534 496 D N -0.604 119.805 120.400 0.015 0.000 2.332 496 D HA 0.528 5.168 4.640 -0.000 0.000 0.252 496 D C -0.277 176.022 176.300 -0.002 0.000 1.050 496 D CA 0.078 54.045 54.000 -0.054 0.000 0.970 496 D CB 1.662 42.329 40.800 -0.221 0.000 1.141 496 D HN -0.086 nan 8.370 nan 0.000 0.485 497 T N 0.147 114.683 114.554 -0.030 0.000 2.912 497 T HA 0.552 4.902 4.350 -0.000 0.000 0.299 497 T C -1.504 173.138 174.700 -0.097 0.000 1.052 497 T CA -0.713 61.431 62.100 0.073 0.000 0.996 497 T CB 0.477 69.540 68.868 0.324 0.000 1.070 497 T HN 0.266 nan 8.240 nan 0.000 0.465 498 N N 2.854 121.554 118.700 0.001 0.000 2.533 498 N HA 0.656 5.396 4.740 -0.000 0.000 0.289 498 N C -1.484 174.086 175.510 0.100 0.000 1.103 498 N CA -0.631 52.354 53.050 -0.108 0.000 0.877 498 N CB 1.243 39.673 38.487 -0.094 0.000 1.419 498 N HN 0.588 nan 8.380 nan 0.000 0.517 499 F N -0.033 119.954 119.950 0.060 0.000 2.631 499 F HA 0.877 5.404 4.527 -0.000 0.000 0.308 499 F C -0.586 175.267 175.800 0.089 0.000 1.097 499 F CA -1.663 56.382 58.000 0.075 0.000 0.952 499 F CB 0.718 39.767 39.000 0.082 0.000 1.307 499 F HN 0.342 nan 8.300 nan 0.000 0.450 500 A N 1.580 124.587 122.820 0.312 0.000 2.425 500 A HA 0.558 4.877 4.320 -0.000 0.000 0.249 500 A C -0.545 177.224 177.584 0.310 0.000 1.084 500 A CA -0.495 51.671 52.037 0.215 0.000 0.781 500 A CB 0.334 19.425 19.000 0.151 0.000 1.019 500 A HN 0.787 nan 8.150 nan 0.000 0.490 501 V N 3.585 123.624 119.914 0.208 0.000 2.368 501 V HA 0.441 4.561 4.120 -0.000 0.000 0.266 501 V C 0.861 177.038 176.094 0.138 0.000 1.045 501 V CA 0.504 62.929 62.300 0.209 0.000 0.899 501 V CB 0.416 32.333 31.823 0.155 0.000 1.006 501 V HN 1.154 nan 8.190 nan 0.000 0.470 502 T N 0.689 115.315 114.554 0.120 0.000 2.910 502 T HA 0.408 4.758 4.350 -0.000 0.000 0.287 502 T C 1.017 175.745 174.700 0.047 0.000 1.050 502 T CA -0.182 61.961 62.100 0.072 0.000 1.011 502 T CB 1.727 70.630 68.868 0.059 0.000 1.195 502 T HN 0.686 nan 8.240 nan 0.000 0.540 503 E N 0.077 120.295 120.200 0.030 0.000 2.267 503 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 503 E C 0.694 177.297 176.600 0.005 0.000 0.998 503 E CA 1.254 57.663 56.400 0.016 0.000 0.830 503 E CB -0.290 29.416 29.700 0.010 0.000 0.751 503 E HN 0.566 nan 8.360 nan 0.000 0.491 504 D N 1.011 121.413 120.400 0.002 0.000 2.355 504 D HA -0.002 4.638 4.640 -0.000 0.000 0.218 504 D C -0.013 176.270 176.300 -0.029 0.000 1.004 504 D CA 0.488 54.478 54.000 -0.015 0.000 0.880 504 D CB 0.048 40.836 40.800 -0.021 0.000 0.911 504 D HN 0.078 nan 8.370 nan 0.000 0.528 505 T N 1.526 116.074 114.554 -0.011 0.000 2.867 505 T HA 0.031 4.381 4.350 -0.000 0.000 0.297 505 T C 0.338 175.019 174.700 -0.031 0.000 0.989 505 T CA 0.175 62.262 62.100 -0.022 0.000 1.159 505 T CB 0.433 69.342 68.868 0.068 0.000 0.928 505 T HN 0.081 nan 8.240 nan 0.000 0.538 506 N N 2.352 121.013 118.700 -0.064 0.000 2.549 506 N HA 0.480 5.220 4.740 -0.000 0.000 0.290 506 N C -1.950 173.515 175.510 -0.075 0.000 1.122 506 N CA -0.404 52.610 53.050 -0.060 0.000 0.885 506 N CB 1.521 39.972 38.487 -0.059 0.000 1.455 506 N HN 0.364 nan 8.380 nan 0.000 0.521 507 V N 2.220 122.095 119.914 -0.065 0.000 2.969 507 V HA 0.554 4.674 4.120 -0.000 0.000 0.304 507 V C -1.126 174.920 176.094 -0.081 0.000 1.192 507 V CA -0.209 62.045 62.300 -0.077 0.000 0.962 507 V CB 2.519 34.301 31.823 -0.069 0.000 1.045 507 V HN 0.707 nan 8.190 nan 0.000 0.428 508 T N 3.413 117.904 114.554 -0.106 0.000 2.965 508 T HA 0.369 4.718 4.350 -0.000 0.000 0.306 508 T C -0.615 173.964 174.700 -0.201 0.000 0.991 508 T CA -0.392 61.635 62.100 -0.122 0.000 1.001 508 T CB 0.942 69.746 68.868 -0.106 0.000 0.984 508 T HN 0.782 nan 8.240 nan 0.000 0.446 509 D N 1.057 121.314 120.400 -0.238 0.000 2.737 509 D HA -0.145 4.494 4.640 -0.000 0.000 0.233 509 D C 0.288 176.240 176.300 -0.581 0.000 1.155 509 D CA 0.921 54.602 54.000 -0.532 0.000 0.667 509 D CB -0.959 39.393 40.800 -0.747 0.000 1.060 509 D HN 0.522 nan 8.370 nan 0.000 0.427 510 S N 1.000 116.532 115.700 -0.280 0.000 2.498 510 S HA 0.168 4.638 4.470 -0.000 0.000 0.281 510 S C -0.092 174.380 174.600 -0.213 0.000 1.265 510 S CA -0.572 57.495 58.200 -0.222 0.000 1.071 510 S CB 0.500 63.676 63.200 -0.040 0.000 0.894 510 S HN 0.245 nan 8.310 nan 0.000 0.491 511 D N 4.066 124.233 120.400 -0.389 0.000 2.185 511 D HA 0.370 5.010 4.640 -0.000 0.000 0.247 511 D C -0.977 175.051 176.300 -0.453 0.000 1.027 511 D CA -0.357 53.549 54.000 -0.157 0.000 0.861 511 D CB 0.626 41.464 40.800 0.064 0.000 1.202 511 D HN 0.486 nan 8.370 nan 0.000 0.453 512 Y N -0.586 119.813 120.300 0.166 0.000 2.562 512 Y HA 0.201 4.750 4.550 -0.000 0.000 0.345 512 Y C 1.605 177.542 175.900 0.062 0.000 1.045 512 Y CA -0.927 57.259 58.100 0.143 0.000 1.028 512 Y CB 2.314 40.897 38.460 0.205 0.000 1.297 512 Y HN 0.280 nan 8.280 nan 0.000 0.463 513 T N -0.096 114.560 114.554 0.171 0.000 2.746 513 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 513 T C -0.430 174.021 174.700 -0.415 0.000 1.039 513 T CA 1.646 63.689 62.100 -0.094 0.000 1.142 513 T CB -0.267 68.587 68.868 -0.023 0.000 0.866 513 T HN 0.407 nan 8.240 nan 0.000 0.444 514 Y N -0.434 119.954 120.300 0.148 0.000 2.512 514 Y HA 0.624 5.174 4.550 -0.000 0.000 0.348 514 Y C 0.334 176.140 175.900 -0.156 0.000 0.990 514 Y CA -1.408 56.663 58.100 -0.050 0.000 1.033 514 Y CB 2.302 40.742 38.460 -0.034 0.000 1.259 514 Y HN 0.088 nan 8.280 nan 0.000 0.461 515 G N 1.905 110.528 108.800 -0.294 0.000 2.740 515 G HA2 0.653 4.612 3.960 -0.000 0.000 0.296 515 G HA3 0.653 4.612 3.960 -0.000 0.000 0.296 515 G C -2.126 172.361 174.900 -0.688 0.000 1.439 515 G CA -0.582 44.303 45.100 -0.358 0.000 1.066 515 G HN 0.316 nan 8.290 nan 0.000 0.527 516 F N 1.851 121.528 119.950 -0.455 0.000 2.529 516 F HA 0.601 5.127 4.527 -0.000 0.000 0.320 516 F C 0.479 176.132 175.800 -0.244 0.000 1.118 516 F CA -0.954 56.886 58.000 -0.266 0.000 0.915 516 F CB 2.302 41.169 39.000 -0.221 0.000 1.161 516 F HN 0.532 nan 8.300 nan 0.000 0.445 517 I N -0.290 120.341 120.570 0.102 0.000 2.603 517 I HA 0.878 5.048 4.170 -0.000 0.000 0.300 517 I C -0.778 175.397 176.117 0.096 0.000 1.017 517 I CA -0.490 60.876 61.300 0.110 0.000 1.098 517 I CB 2.182 40.270 38.000 0.148 0.000 1.279 517 I HN 0.384 nan 8.210 nan 0.000 0.437 518 S N 2.563 118.304 115.700 0.070 0.000 2.549 518 S HA 0.970 5.440 4.470 -0.000 0.000 0.280 518 S C -0.350 174.282 174.600 0.054 0.000 1.109 518 S CA -0.709 57.522 58.200 0.052 0.000 0.905 518 S CB 1.995 65.212 63.200 0.028 0.000 1.081 518 S HN 1.272 nan 8.310 nan 0.000 0.477 519 G N -0.050 108.779 108.800 0.048 0.000 2.429 519 G HA2 0.627 4.587 3.960 -0.000 0.000 0.300 519 G HA3 0.627 4.587 3.960 -0.000 0.000 0.300 519 G C -0.109 174.819 174.900 0.046 0.000 1.598 519 G CA 0.291 45.424 45.100 0.055 0.000 0.863 519 G HN 1.768 nan 8.290 nan 0.000 0.614 520 A N -0.585 122.261 122.820 0.043 0.000 2.783 520 A HA 0.344 4.663 4.320 -0.000 0.000 0.292 520 A C 2.428 180.021 177.584 0.015 0.000 1.495 520 A CA 2.282 54.339 52.037 0.033 0.000 0.787 520 A CB -1.392 17.634 19.000 0.043 0.000 1.017 520 A HN 3.176 nan 8.150 nan 0.000 0.516 521 G N -3.263 105.544 108.800 0.012 0.000 2.159 521 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.256 521 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.256 521 G C 0.009 174.907 174.900 -0.003 0.000 0.977 521 G CA 0.619 45.721 45.100 0.002 0.000 0.652 521 G HN 1.551 nan 8.290 nan 0.000 0.531 522 L N -0.169 121.055 121.223 0.001 0.000 2.371 522 L HA 0.852 5.191 4.340 -0.000 0.000 0.262 522 L C -0.044 176.831 176.870 0.007 0.000 1.006 522 L CA -0.890 53.949 54.840 -0.003 0.000 0.818 522 L CB 2.397 44.448 42.059 -0.012 0.000 1.354 522 L HN 0.169 nan 8.230 nan 0.000 0.415 523 S N 0.770 116.476 115.700 0.011 0.000 2.549 523 S HA 0.927 5.397 4.470 -0.000 0.000 0.280 523 S C -1.460 173.182 174.600 0.070 0.000 1.109 523 S CA -0.280 57.946 58.200 0.043 0.000 0.905 523 S CB 1.950 65.165 63.200 0.025 0.000 1.081 523 S HN 0.791 nan 8.310 nan 0.000 0.477 524 A N 2.347 125.239 122.820 0.120 0.000 2.520 524 A HA 0.822 5.141 4.320 -0.000 0.000 0.298 524 A C -0.096 177.595 177.584 0.178 0.000 1.051 524 A CA -0.331 51.784 52.037 0.129 0.000 0.690 524 A CB 1.276 20.270 19.000 -0.011 0.000 1.281 524 A HN 1.155 nan 8.150 nan 0.000 0.402 525 G N -0.063 108.853 108.800 0.194 0.000 2.434 525 G HA2 0.590 4.550 3.960 -0.000 0.000 0.330 525 G HA3 0.590 4.550 3.960 -0.000 0.000 0.330 525 G C -0.949 173.972 174.900 0.036 0.000 1.155 525 G CA -0.567 44.343 45.100 -0.317 0.000 0.917 525 G HN 1.032 nan 8.290 nan 0.000 0.493 526 L N 0.800 122.007 121.223 -0.027 0.000 2.307 526 L HA 0.707 5.047 4.340 -0.000 0.000 0.284 526 L C -1.013 176.103 176.870 0.411 0.000 1.023 526 L CA -1.086 53.862 54.840 0.181 0.000 0.810 526 L CB 1.415 43.525 42.059 0.085 0.000 1.231 526 L HN 0.667 nan 8.230 nan 0.000 0.423 527 W N 5.647 127.118 121.300 0.284 0.000 2.606 527 W HA 0.689 5.348 4.660 -0.000 0.000 0.332 527 W C -0.936 175.709 176.519 0.209 0.000 1.052 527 W CA -0.336 57.175 57.345 0.276 0.000 1.223 527 W CB 1.769 31.243 29.460 0.024 0.000 1.383 527 W HN 0.547 nan 8.180 nan 0.000 0.524 528 S N 3.079 118.156 115.700 -1.038 0.000 2.556 528 S HA 0.212 4.681 4.470 -0.000 0.000 0.271 528 S C 0.030 173.980 174.600 -1.084 0.000 1.135 528 S CA -0.649 56.953 58.200 -0.997 0.000 0.858 528 S CB 0.862 63.842 63.200 -0.367 0.000 1.114 528 S HN 0.636 nan 8.310 nan 0.000 0.468 529 N N 1.941 120.251 118.700 -0.649 0.000 2.370 529 N HA 0.052 4.792 4.740 -0.000 0.000 0.198 529 N C 0.359 175.861 175.510 -0.014 0.000 1.156 529 N CA 0.063 53.045 53.050 -0.113 0.000 0.839 529 N CB -0.144 38.422 38.487 0.130 0.000 0.989 529 N HN 0.374 nan 8.380 nan 0.000 0.468 530 S N 0.405 116.090 115.700 -0.024 0.000 2.642 530 S HA -0.090 4.380 4.470 -0.000 0.000 0.308 530 S C 0.612 175.174 174.600 -0.064 0.000 1.255 530 S CA -0.055 58.079 58.200 -0.111 0.000 1.057 530 S CB 0.225 63.148 63.200 -0.461 0.000 0.785 530 S HN 0.423 nan 8.310 nan 0.000 0.500 531 E N 2.376 122.609 120.200 0.054 0.000 2.403 531 E HA 0.049 4.399 4.350 -0.000 0.000 0.188 531 E C 0.353 177.043 176.600 0.150 0.000 1.056 531 E CA -0.146 56.336 56.400 0.136 0.000 0.892 531 E CB 0.059 29.987 29.700 0.379 0.000 1.049 531 E HN 0.720 nan 8.360 nan 0.000 0.465 532 H N 1.481 120.500 119.070 -0.084 0.000 2.928 532 H HA 0.024 4.579 4.556 -0.000 0.000 0.338 532 H C -0.672 174.654 175.328 -0.004 0.000 1.047 532 H CA 0.347 56.332 56.048 -0.104 0.000 1.435 532 H CB 0.671 30.297 29.762 -0.226 0.000 1.428 532 H HN -0.026 nan 8.280 nan 0.000 0.590 533 D N 2.487 122.545 120.400 -0.570 0.000 2.192 533 D HA 0.416 5.056 4.640 -0.000 0.000 0.246 533 D C 0.330 176.228 176.300 -0.670 0.000 1.042 533 D CA -0.071 53.670 54.000 -0.433 0.000 0.847 533 D CB 1.962 42.655 40.800 -0.178 0.000 1.186 533 D HN 0.844 nan 8.370 nan 0.000 0.461 534 G N 0.432 109.069 108.800 -0.273 0.000 3.000 534 G HA2 0.274 4.234 3.960 -0.000 0.000 0.170 534 G HA3 0.274 4.234 3.960 -0.000 0.000 0.170 534 G C -0.706 174.239 174.900 0.074 0.000 1.160 534 G CA -0.397 44.660 45.100 -0.070 0.000 0.945 534 G HN 0.339 nan 8.290 nan 0.000 0.593 535 T N 1.196 115.780 114.554 0.051 0.000 2.901 535 T HA 0.498 4.848 4.350 -0.000 0.000 0.301 535 T C -0.674 174.092 174.700 0.111 0.000 1.012 535 T CA 0.607 62.712 62.100 0.008 0.000 1.135 535 T CB 0.138 68.934 68.868 -0.120 0.000 0.936 535 T HN 0.544 nan 8.240 nan 0.000 0.539 536 Y N -0.743 119.531 120.300 -0.044 0.000 2.609 536 Y HA 0.702 5.251 4.550 -0.000 0.000 0.342 536 Y C 0.222 176.117 175.900 -0.009 0.000 1.058 536 Y CA -1.416 56.675 58.100 -0.016 0.000 1.055 536 Y CB 0.484 38.934 38.460 -0.015 0.000 1.292 536 Y HN 0.193 nan 8.280 nan 0.000 0.476 537 V N 0.854 120.811 119.914 0.072 0.000 2.426 537 V HA 0.432 4.552 4.120 -0.000 0.000 0.242 537 V C 0.545 176.652 176.094 0.023 0.000 1.036 537 V CA 1.091 63.388 62.300 -0.004 0.000 1.044 537 V CB 0.272 32.135 31.823 0.067 0.000 0.688 537 V HN 0.969 nan 8.190 nan 0.000 0.462 538 A N -0.821 122.128 122.820 0.216 0.000 2.532 538 A HA 0.849 5.169 4.320 -0.000 0.000 0.296 538 A C -0.969 176.760 177.584 0.241 0.000 1.058 538 A CA 0.241 52.404 52.037 0.211 0.000 0.729 538 A CB 1.414 20.461 19.000 0.078 0.000 1.285 538 A HN 0.925 nan 8.150 nan 0.000 0.396 539 A N 3.324 126.258 122.820 0.190 0.000 2.530 539 A HA 0.797 5.117 4.320 -0.000 0.000 0.297 539 A C -2.597 174.902 177.584 -0.143 0.000 1.059 539 A CA -0.810 51.191 52.037 -0.060 0.000 0.782 539 A CB 1.097 19.933 19.000 -0.275 0.000 1.301 539 A HN 0.589 nan 8.150 nan 0.000 0.394 540 P HA 0.135 nan 4.420 nan 0.000 0.241 540 P C 0.328 177.367 177.300 -0.434 0.000 1.191 540 P CA 1.253 64.170 63.100 -0.305 0.000 0.771 540 P CB -0.135 31.342 31.700 -0.371 0.000 0.929 541 V N -4.411 115.238 119.914 -0.441 0.000 3.202 541 V HA 0.577 4.697 4.120 -0.000 0.000 0.306 541 V C 0.474 176.346 176.094 -0.369 0.000 1.283 541 V CA -1.091 60.918 62.300 -0.485 0.000 1.065 541 V CB 2.279 33.674 31.823 -0.714 0.000 1.079 541 V HN -0.302 nan 8.190 nan 0.000 0.448 542 R N 0.843 121.151 120.500 -0.320 0.000 1.634 542 R HA 0.513 4.852 4.340 -0.000 0.000 0.119 542 R C 1.498 177.697 176.300 -0.169 0.000 1.930 542 R CA 0.430 56.375 56.100 -0.258 0.000 1.862 542 R CB -1.205 28.952 30.300 -0.238 0.000 1.272 542 R HN 2.148 nan 8.270 nan 0.000 0.535 543 G N 0.384 109.088 108.800 -0.160 0.000 2.305 543 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.287 543 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.287 543 G C 0.770 175.760 174.900 0.150 0.000 1.036 543 G CA 1.195 46.293 45.100 -0.004 0.000 0.887 543 G HN 0.967 nan 8.290 nan 0.000 0.505 544 G N -2.041 106.811 108.800 0.087 0.000 2.157 544 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.248 544 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.248 544 G C 1.437 176.371 174.900 0.056 0.000 0.979 544 G CA 1.096 46.256 45.100 0.100 0.000 0.650 544 G HN 1.526 nan 8.290 nan 0.000 0.529 545 S N -0.277 115.414 115.700 -0.015 0.000 2.402 545 S HA -0.050 4.420 4.470 -0.000 0.000 0.229 545 S C 1.876 176.442 174.600 -0.057 0.000 1.021 545 S CA 1.833 60.004 58.200 -0.049 0.000 0.974 545 S CB -0.073 63.034 63.200 -0.154 0.000 0.800 545 S HN 0.578 nan 8.310 nan 0.000 0.484 546 Q N 1.160 120.902 119.800 -0.097 0.000 2.320 546 Q HA 0.241 4.581 4.340 -0.000 0.000 0.201 546 Q C 0.202 176.195 176.000 -0.012 0.000 0.910 546 Q CA -0.169 55.588 55.803 -0.078 0.000 0.946 546 Q CB -0.247 28.397 28.738 -0.157 0.000 1.062 546 Q HN 0.465 nan 8.270 nan 0.000 0.503 547 N N 1.507 120.222 118.700 0.025 0.000 2.429 547 N HA -0.006 4.734 4.740 -0.000 0.000 0.271 547 N C -0.848 174.699 175.510 0.062 0.000 1.272 547 N CA 0.186 53.264 53.050 0.046 0.000 0.921 547 N CB 0.472 39.016 38.487 0.095 0.000 1.128 547 N HN 0.074 nan 8.380 nan 0.000 0.481 548 T N 1.357 115.968 114.554 0.094 0.000 2.809 548 T HA 0.410 4.760 4.350 -0.000 0.000 0.284 548 T C 0.503 175.285 174.700 0.136 0.000 0.992 548 T CA -0.886 61.299 62.100 0.142 0.000 0.957 548 T CB 1.713 70.699 68.868 0.196 0.000 0.942 548 T HN 0.521 nan 8.240 nan 0.000 0.439 549 R N 1.611 122.116 120.500 0.007 0.000 2.446 549 R HA 0.366 4.706 4.340 -0.000 0.000 0.254 549 R C -0.308 175.887 176.300 -0.175 0.000 0.918 549 R CA -0.157 55.867 56.100 -0.128 0.000 1.069 549 R CB 0.993 31.219 30.300 -0.122 0.000 1.194 549 R HN 0.473 nan 8.270 nan 0.000 0.534 550 V N 1.387 121.292 119.914 -0.015 0.000 2.540 550 V HA 0.344 4.463 4.120 -0.000 0.000 0.302 550 V C -1.171 175.080 176.094 0.262 0.000 1.035 550 V CA -0.893 61.441 62.300 0.057 0.000 0.873 550 V CB 1.878 33.774 31.823 0.121 0.000 0.992 550 V HN -0.000 nan 8.190 nan 0.000 0.428 551 Y N 2.570 122.850 120.300 -0.032 0.000 2.328 551 Y HA 0.755 5.305 4.550 -0.000 0.000 0.337 551 Y C 0.396 176.299 175.900 0.004 0.000 0.966 551 Y CA -1.429 56.646 58.100 -0.041 0.000 1.136 551 Y CB 1.897 40.276 38.460 -0.136 0.000 1.170 551 Y HN 0.727 nan 8.280 nan 0.000 0.470 552 A N 2.933 125.831 122.820 0.130 0.000 2.304 552 A HA 0.837 5.157 4.320 -0.000 0.000 0.323 552 A C -0.423 177.140 177.584 -0.036 0.000 1.195 552 A CA -0.388 51.653 52.037 0.006 0.000 0.826 552 A CB 0.583 19.466 19.000 -0.195 0.000 1.184 552 A HN 0.658 nan 8.150 nan 0.000 0.496 553 T N 1.813 116.353 114.554 -0.024 0.000 2.971 553 T HA 0.573 4.923 4.350 -0.000 0.000 0.304 553 T C -0.044 174.644 174.700 -0.021 0.000 1.038 553 T CA -0.367 61.714 62.100 -0.032 0.000 1.007 553 T CB 1.516 70.375 68.868 -0.015 0.000 1.055 553 T HN 0.866 nan 8.240 nan 0.000 0.451 554 T N 1.260 115.797 114.554 -0.028 0.000 2.922 554 T HA 0.728 5.078 4.350 -0.000 0.000 0.285 554 T C -0.443 174.246 174.700 -0.019 0.000 1.005 554 T CA -0.890 61.200 62.100 -0.016 0.000 1.061 554 T CB 1.218 70.077 68.868 -0.016 0.000 1.007 554 T HN 0.786 nan 8.240 nan 0.000 0.502 555 Q N 0.287 120.078 119.800 -0.015 0.000 2.462 555 Q HA 0.435 4.774 4.340 -0.000 0.000 0.285 555 Q C -1.432 174.553 176.000 -0.024 0.000 1.035 555 Q CA -1.299 54.491 55.803 -0.022 0.000 0.799 555 Q CB 1.427 30.151 28.738 -0.023 0.000 1.452 555 Q HN 0.397 nan 8.270 nan 0.000 0.404 556 Q N 0.965 120.748 119.800 -0.029 0.000 2.286 556 Q HA 0.345 4.685 4.340 -0.000 0.000 0.257 556 Q C -0.884 175.091 176.000 -0.042 0.000 0.941 556 Q CA 0.186 55.970 55.803 -0.031 0.000 0.912 556 Q CB 1.701 30.422 28.738 -0.029 0.000 1.192 556 Q HN 0.685 nan 8.270 nan 0.000 0.410 557 T N 2.001 116.525 114.554 -0.050 0.000 3.068 557 T HA 0.487 4.837 4.350 -0.000 0.000 0.364 557 T C 0.408 175.064 174.700 -0.073 0.000 1.161 557 T CA 0.504 62.559 62.100 -0.075 0.000 1.155 557 T CB 0.158 68.964 68.868 -0.103 0.000 1.060 557 T HN 0.825 nan 8.240 nan 0.000 0.513 558 G N 4.646 113.410 108.800 -0.059 0.000 2.611 558 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.301 558 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.301 558 G C 0.619 175.498 174.900 -0.035 0.000 1.233 558 G CA 0.735 45.808 45.100 -0.046 0.000 0.993 558 G HN 0.739 nan 8.290 nan 0.000 0.553 559 D N 1.456 121.839 120.400 -0.028 0.000 2.349 559 D HA 0.527 5.167 4.640 -0.000 0.000 0.224 559 D C 1.073 177.363 176.300 -0.016 0.000 1.029 559 D CA 1.285 55.274 54.000 -0.018 0.000 0.879 559 D CB -0.267 40.526 40.800 -0.011 0.000 0.906 559 D HN 1.106 nan 8.370 nan 0.000 0.528 560 A N -0.263 122.543 122.820 -0.023 0.000 2.299 560 A HA 0.633 4.953 4.320 -0.000 0.000 0.332 560 A C -0.101 177.474 177.584 -0.015 0.000 1.131 560 A CA -0.638 51.391 52.037 -0.014 0.000 0.844 560 A CB 1.083 20.075 19.000 -0.013 0.000 1.251 560 A HN 0.037 nan 8.150 nan 0.000 0.486 561 T N 1.495 116.048 114.554 -0.000 0.000 2.771 561 T HA 0.454 4.803 4.350 -0.000 0.000 0.291 561 T C 0.113 174.821 174.700 0.012 0.000 0.954 561 T CA 0.101 62.202 62.100 0.002 0.000 1.045 561 T CB 0.873 69.747 68.868 0.010 0.000 0.917 561 T HN 0.630 nan 8.240 nan 0.000 0.484 562 S N 2.912 118.614 115.700 0.004 0.000 2.437 562 S HA 0.562 5.032 4.470 -0.000 0.000 0.305 562 S C -0.668 173.949 174.600 0.029 0.000 1.109 562 S CA -0.862 57.348 58.200 0.017 0.000 1.099 562 S CB 0.322 63.517 63.200 -0.008 0.000 1.004 562 S HN 0.546 nan 8.310 nan 0.000 0.475 563 L N 5.887 127.141 121.223 0.051 0.000 2.265 563 L HA 0.784 5.124 4.340 -0.000 0.000 0.289 563 L C 0.310 177.216 176.870 0.059 0.000 1.033 563 L CA 0.180 55.045 54.840 0.041 0.000 0.814 563 L CB 0.735 42.821 42.059 0.045 0.000 1.203 563 L HN 0.720 nan 8.230 nan 0.000 0.423 564 G N 5.647 114.475 108.800 0.047 0.000 2.400 564 G HA2 0.616 4.576 3.960 -0.000 0.000 0.333 564 G HA3 0.616 4.576 3.960 -0.000 0.000 0.333 564 G C -1.288 173.657 174.900 0.075 0.000 1.143 564 G CA -0.715 44.429 45.100 0.074 0.000 0.914 564 G HN 0.591 nan 8.290 nan 0.000 0.480 565 L N 0.868 122.150 121.223 0.099 0.000 2.329 565 L HA 0.772 5.112 4.340 -0.000 0.000 0.279 565 L C 0.376 177.304 176.870 0.097 0.000 1.014 565 L CA -0.818 54.084 54.840 0.103 0.000 0.814 565 L CB 1.897 44.021 42.059 0.108 0.000 1.257 565 L HN 0.658 nan 8.230 nan 0.000 0.424 566 A N 1.639 124.508 122.820 0.082 0.000 2.479 566 A HA 0.680 4.999 4.320 -0.000 0.000 0.296 566 A C -0.608 176.932 177.584 -0.074 0.000 1.121 566 A CA -0.515 51.548 52.037 0.043 0.000 0.743 566 A CB 1.951 20.986 19.000 0.057 0.000 1.323 566 A HN 0.553 nan 8.150 nan 0.000 0.415 567 S N 0.175 115.765 115.700 -0.182 0.000 2.565 567 S HA 0.524 4.994 4.470 -0.000 0.000 0.276 567 S C 0.638 174.730 174.600 -0.848 0.000 1.326 567 S CA 0.064 57.980 58.200 -0.474 0.000 1.045 567 S CB 0.269 63.103 63.200 -0.609 0.000 0.918 567 S HN 1.835 nan 8.310 nan 0.000 0.505 568 A N 5.592 127.788 122.820 -1.041 0.000 2.429 568 A HA 0.481 4.801 4.320 -0.000 0.000 0.242 568 A C -2.427 174.371 177.584 -1.309 0.000 1.088 568 A CA -1.094 50.003 52.037 -1.568 0.000 0.784 568 A CB -0.738 17.549 19.000 -1.188 0.000 1.038 568 A HN 0.695 nan 8.150 nan 0.000 0.501 569 P HA 0.068 nan 4.420 nan 0.000 0.269 569 P C -0.630 176.273 177.300 -0.662 0.000 1.209 569 P CA 0.176 62.803 63.100 -0.788 0.000 0.776 569 P CB 0.394 31.794 31.700 -0.500 0.000 0.876 570 W N 1.633 122.759 121.300 -0.290 0.000 2.512 570 W HA 0.284 4.944 4.660 -0.000 0.000 0.335 570 W C -0.289 176.132 176.519 -0.164 0.000 1.088 570 W CA 0.050 57.284 57.345 -0.186 0.000 1.236 570 W CB 0.371 29.772 29.460 -0.099 0.000 1.307 570 W HN 0.339 nan 8.180 nan 0.000 0.567 571 Y N 1.327 121.798 120.300 0.285 0.000 2.304 571 Y HA 0.049 4.598 4.550 -0.000 0.000 0.328 571 Y C 0.526 176.629 175.900 0.338 0.000 1.123 571 Y CA -0.163 58.071 58.100 0.223 0.000 1.218 571 Y CB 0.617 39.169 38.460 0.152 0.000 1.207 571 Y HN 0.331 nan 8.280 nan 0.000 0.495 572 Y N 1.718 122.213 120.300 0.325 0.000 2.893 572 Y HA 0.286 4.836 4.550 -0.000 0.000 0.195 572 Y C 0.141 176.282 175.900 0.401 0.000 0.964 572 Y CA 0.094 58.347 58.100 0.256 0.000 1.596 572 Y CB 0.109 38.613 38.460 0.074 0.000 1.247 572 Y HN 0.539 nan 8.280 nan 0.000 0.464 573 H N 2.080 121.101 119.070 -0.082 0.000 2.746 573 H HA 0.330 4.886 4.556 -0.000 0.000 0.269 573 H C -0.404 174.917 175.328 -0.011 0.000 1.248 573 H CA -0.589 55.373 56.048 -0.142 0.000 1.258 573 H CB 0.552 30.191 29.762 -0.205 0.000 1.441 573 H HN 0.105 nan 8.280 nan 0.000 0.508 574 R N 2.193 122.727 120.500 0.056 0.000 2.357 574 R HA 0.187 4.526 4.340 -0.000 0.000 0.296 574 R C -0.667 175.545 176.300 -0.146 0.000 1.052 574 R CA -0.324 55.669 56.100 -0.178 0.000 0.988 574 R CB 0.884 30.695 30.300 -0.816 0.000 1.025 574 R HN 0.353 nan 8.270 nan 0.000 0.469 575 T N 4.301 118.777 114.554 -0.130 0.000 2.767 575 T HA 0.401 4.751 4.350 -0.000 0.000 0.284 575 T C -0.572 174.071 174.700 -0.094 0.000 0.973 575 T CA -0.598 61.469 62.100 -0.055 0.000 0.996 575 T CB 1.182 70.045 68.868 -0.009 0.000 0.927 575 T HN 0.477 nan 8.240 nan 0.000 0.456 576 V N 0.978 120.891 119.914 -0.002 0.000 3.102 576 V HA 0.895 5.015 4.120 -0.000 0.000 0.312 576 V C -0.442 175.742 176.094 0.151 0.000 1.135 576 V CA -0.924 61.385 62.300 0.015 0.000 1.022 576 V CB 2.194 34.022 31.823 0.009 0.000 1.056 576 V HN 0.740 nan 8.190 nan 0.000 0.436 577 T N 2.390 117.020 114.554 0.126 0.000 2.841 577 T HA 0.577 4.927 4.350 -0.000 0.000 0.283 577 T C -0.719 174.091 174.700 0.183 0.000 1.000 577 T CA -0.279 61.914 62.100 0.155 0.000 0.977 577 T CB 1.439 70.348 68.868 0.068 0.000 0.979 577 T HN 1.131 nan 8.240 nan 0.000 0.446 578 D N 0.762 121.322 120.400 0.266 0.000 2.478 578 D HA 0.207 4.847 4.640 -0.000 0.000 0.274 578 D C 1.508 177.883 176.300 0.124 0.000 1.234 578 D CA -0.528 53.606 54.000 0.224 0.000 1.069 578 D CB 0.126 41.138 40.800 0.353 0.000 1.113 578 D HN 0.383 nan 8.370 nan 0.000 0.571 579 S N -1.414 114.341 115.700 0.091 0.000 2.522 579 S HA -0.064 4.406 4.470 -0.000 0.000 0.227 579 S C 1.121 175.739 174.600 0.028 0.000 0.986 579 S CA 0.354 58.579 58.200 0.042 0.000 0.929 579 S CB -0.276 62.934 63.200 0.018 0.000 0.769 579 S HN 0.379 nan 8.310 nan 0.000 0.529 580 K N 0.713 121.136 120.400 0.039 0.000 2.374 580 K HA 0.428 4.748 4.320 -0.000 0.000 0.196 580 K C 1.246 177.858 176.600 0.021 0.000 1.023 580 K CA 0.520 56.818 56.287 0.019 0.000 1.103 580 K CB 0.133 32.638 32.500 0.010 0.000 0.848 580 K HN 0.442 nan 8.250 nan 0.000 0.528 581 G N 1.244 110.065 108.800 0.035 0.000 2.176 581 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.253 581 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.253 581 G C -0.033 174.869 174.900 0.004 0.000 0.979 581 G CA 0.241 45.353 45.100 0.020 0.000 0.641 581 G HN 0.308 nan 8.290 nan 0.000 0.530 582 K N 1.008 121.413 120.400 0.008 0.000 2.298 582 K HA 0.487 4.807 4.320 -0.000 0.000 0.280 582 K C 0.356 176.861 176.600 -0.158 0.000 1.032 582 K CA -0.237 55.988 56.287 -0.103 0.000 0.958 582 K CB 0.298 32.715 32.500 -0.138 0.000 0.978 582 K HN 0.232 nan 8.250 nan 0.000 0.472 583 K N 2.985 123.227 120.400 -0.264 0.000 2.123 583 K HA 0.326 4.646 4.320 -0.000 0.000 0.259 583 K C -1.204 175.188 176.600 -0.347 0.000 0.960 583 K CA -0.665 55.526 56.287 -0.160 0.000 0.872 583 K CB 1.179 33.636 32.500 -0.071 0.000 1.079 583 K HN 0.433 nan 8.250 nan 0.000 0.440 584 Y N -0.726 119.583 120.300 0.015 0.000 2.562 584 Y HA 0.314 4.864 4.550 -0.000 0.000 0.345 584 Y C -0.195 175.705 175.900 -0.000 0.000 1.045 584 Y CA -1.140 56.967 58.100 0.012 0.000 1.028 584 Y CB 2.501 40.976 38.460 0.024 0.000 1.297 584 Y HN 0.374 nan 8.280 nan 0.000 0.463 585 T N 2.329 116.971 114.554 0.147 0.000 2.807 585 T HA 0.640 4.990 4.350 -0.000 0.000 0.279 585 T C -1.004 173.716 174.700 0.032 0.000 0.993 585 T CA -0.658 61.480 62.100 0.065 0.000 0.970 585 T CB 1.251 70.129 68.868 0.017 0.000 0.950 585 T HN 0.340 nan 8.240 nan 0.000 0.441 586 V N 2.331 122.272 119.914 0.045 0.000 2.540 586 V HA 0.742 4.861 4.120 -0.000 0.000 0.302 586 V C 0.532 176.590 176.094 -0.059 0.000 1.035 586 V CA -1.198 61.120 62.300 0.030 0.000 0.873 586 V CB 1.608 33.541 31.823 0.185 0.000 0.992 586 V HN 1.126 nan 8.190 nan 0.000 0.428 587 A N 3.702 126.395 122.820 -0.212 0.000 2.409 587 A HA 0.434 4.754 4.320 -0.000 0.000 0.246 587 A C 0.630 178.189 177.584 -0.042 0.000 1.099 587 A CA -0.239 51.614 52.037 -0.307 0.000 0.789 587 A CB 0.147 18.983 19.000 -0.273 0.000 1.053 587 A HN 0.953 nan 8.150 nan 0.000 0.503 588 E N 0.380 120.591 120.200 0.019 0.000 2.398 588 E HA 0.041 4.391 4.350 -0.000 0.000 0.263 588 E C 0.276 176.920 176.600 0.074 0.000 1.046 588 E CA 0.566 57.061 56.400 0.158 0.000 0.908 588 E CB 0.132 29.984 29.700 0.253 0.000 0.963 588 E HN 0.523 nan 8.360 nan 0.000 0.431 589 T N 1.251 115.845 114.554 0.066 0.000 2.777 589 T HA 0.120 4.469 4.350 -0.000 0.000 0.266 589 T C 0.594 175.309 174.700 0.026 0.000 1.040 589 T CA 1.479 63.562 62.100 -0.028 0.000 1.141 589 T CB -0.049 68.772 68.868 -0.077 0.000 0.868 589 T HN 0.739 nan 8.240 nan 0.000 0.444 590 A N -0.375 122.496 122.820 0.086 0.000 2.612 590 A HA 0.658 4.978 4.320 -0.000 0.000 0.293 590 A C -1.185 176.464 177.584 0.107 0.000 1.075 590 A CA -0.910 51.181 52.037 0.089 0.000 0.680 590 A CB 0.604 19.663 19.000 0.098 0.000 1.279 590 A HN 0.232 nan 8.150 nan 0.000 0.411 591 L N 1.201 122.469 121.223 0.074 0.000 2.473 591 L HA 0.269 4.609 4.340 -0.000 0.000 0.268 591 L C -2.004 174.780 176.870 -0.144 0.000 1.215 591 L CA -1.541 53.304 54.840 0.010 0.000 0.823 591 L CB 0.497 42.549 42.059 -0.012 0.000 1.099 591 L HN 0.419 nan 8.230 nan 0.000 0.483 592 P HA 0.049 nan 4.420 nan 0.000 0.264 592 P C -1.373 175.542 177.300 -0.641 0.000 1.193 592 P CA 0.226 62.704 63.100 -1.037 0.000 0.763 592 P CB 0.471 31.104 31.700 -1.779 0.000 0.810 593 Q N 2.251 121.826 119.800 -0.376 0.000 2.345 593 Q HA 0.739 5.078 4.340 -0.000 0.000 0.275 593 Q C -0.443 175.594 176.000 0.061 0.000 1.063 593 Q CA -0.722 55.076 55.803 -0.010 0.000 0.819 593 Q CB 2.459 31.352 28.738 0.259 0.000 1.356 593 Q HN 0.447 nan 8.270 nan 0.000 0.418 594 M N -0.310 119.427 119.600 0.229 0.000 2.721 594 M HA 0.993 5.472 4.480 -0.000 0.000 0.271 594 M C -1.909 174.621 176.300 0.385 0.000 1.259 594 M CA -0.932 54.498 55.300 0.217 0.000 0.835 594 M CB 2.257 35.027 32.600 0.284 0.000 1.689 594 M HN 0.645 nan 8.290 nan 0.000 0.470 595 A N 0.800 123.848 122.820 0.380 0.000 2.608 595 A HA 0.812 5.132 4.320 -0.000 0.000 0.292 595 A C -1.406 176.264 177.584 0.144 0.000 1.066 595 A CA -0.276 51.850 52.037 0.150 0.000 0.676 595 A CB 1.452 20.379 19.000 -0.121 0.000 1.277 595 A HN 1.857 nan 8.150 nan 0.000 0.413 596 V N -2.540 117.394 119.914 0.032 0.000 3.040 596 V HA 1.034 5.154 4.120 -0.000 0.000 0.312 596 V C -0.146 175.942 176.094 -0.010 0.000 1.115 596 V CA -0.426 61.904 62.300 0.051 0.000 0.998 596 V CB 1.432 33.264 31.823 0.014 0.000 1.042 596 V HN 2.487 nan 8.190 nan 0.000 0.433 597 A N 3.324 126.160 122.820 0.027 0.000 2.408 597 A HA 0.846 5.166 4.320 -0.000 0.000 0.295 597 A C -1.070 176.516 177.584 0.004 0.000 1.040 597 A CA -0.541 51.508 52.037 0.019 0.000 0.707 597 A CB 1.323 20.363 19.000 0.067 0.000 1.235 597 A HN 0.809 nan 8.150 nan 0.000 0.418 598 I N 2.148 122.689 120.570 -0.049 0.000 2.315 598 I HA 0.568 4.738 4.170 -0.000 0.000 0.291 598 I C 0.640 176.751 176.117 -0.009 0.000 1.006 598 I CA -0.307 60.946 61.300 -0.078 0.000 1.265 598 I CB 0.651 38.559 38.000 -0.154 0.000 1.387 598 I HN 0.724 nan 8.210 nan 0.000 0.475 599 A N 4.844 127.668 122.820 0.008 0.000 2.340 599 A HA 0.872 5.191 4.320 -0.000 0.000 0.331 599 A C 0.434 178.017 177.584 -0.001 0.000 1.140 599 A CA -0.185 51.860 52.037 0.013 0.000 0.801 599 A CB 1.362 20.377 19.000 0.025 0.000 1.234 599 A HN 0.801 nan 8.150 nan 0.000 0.469 600 G N -0.487 108.310 108.800 -0.004 0.000 3.022 600 G HA2 0.399 4.359 3.960 -0.000 0.000 0.157 600 G HA3 0.399 4.359 3.960 -0.000 0.000 0.157 600 G C -0.616 174.272 174.900 -0.021 0.000 1.468 600 G CA 0.073 45.167 45.100 -0.010 0.000 1.058 600 G HN 0.626 nan 8.290 nan 0.000 0.581 601 D N 0.340 120.727 120.400 -0.022 0.000 2.558 601 D HA 0.181 4.820 4.640 -0.000 0.000 0.221 601 D C 1.338 177.620 176.300 -0.030 0.000 1.143 601 D CA -0.237 53.743 54.000 -0.032 0.000 1.010 601 D CB 0.256 41.039 40.800 -0.029 0.000 1.068 601 D HN 0.196 nan 8.370 nan 0.000 0.511 602 E N 1.611 121.792 120.200 -0.032 0.000 2.150 602 E HA -0.150 4.199 4.350 -0.000 0.000 0.193 602 E C 1.123 177.708 176.600 -0.025 0.000 0.985 602 E CA 0.698 57.086 56.400 -0.021 0.000 0.814 602 E CB -0.062 29.632 29.700 -0.010 0.000 0.752 602 E HN 0.577 nan 8.360 nan 0.000 0.466 603 N N 0.400 119.078 118.700 -0.037 0.000 2.268 603 N HA -0.050 4.690 4.740 -0.000 0.000 0.204 603 N C -0.476 175.012 175.510 -0.038 0.000 1.124 603 N CA 0.093 53.121 53.050 -0.036 0.000 0.838 603 N CB -0.148 38.318 38.487 -0.036 0.000 0.994 603 N HN -0.013 nan 8.380 nan 0.000 0.489 604 E N -0.015 120.164 120.200 -0.035 0.000 2.328 604 E HA -0.219 4.131 4.350 -0.000 0.000 0.233 604 E C -0.712 175.869 176.600 -0.031 0.000 1.219 604 E CA 0.876 57.258 56.400 -0.030 0.000 0.717 604 E CB -1.195 28.489 29.700 -0.026 0.000 1.210 604 E HN 0.744 nan 8.360 nan 0.000 0.381 605 D N -0.859 119.519 120.400 -0.037 0.000 2.395 605 D HA 0.163 4.803 4.640 -0.000 0.000 0.213 605 D C 1.280 177.562 176.300 -0.029 0.000 1.110 605 D CA 0.390 54.370 54.000 -0.034 0.000 0.835 605 D CB 0.276 41.052 40.800 -0.039 0.000 0.965 605 D HN 0.357 nan 8.370 nan 0.000 0.505 606 G N -0.509 108.275 108.800 -0.028 0.000 2.179 606 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.260 606 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.260 606 G C 0.346 175.233 174.900 -0.023 0.000 0.977 606 G CA 0.174 45.262 45.100 -0.021 0.000 0.641 606 G HN 0.930 nan 8.290 nan 0.000 0.533 607 A N -0.950 121.850 122.820 -0.034 0.000 2.413 607 A HA 0.873 5.193 4.320 -0.000 0.000 0.307 607 A C -0.580 176.972 177.584 -0.053 0.000 1.087 607 A CA -0.267 51.748 52.037 -0.037 0.000 0.750 607 A CB 2.335 21.311 19.000 -0.041 0.000 1.296 607 A HN 1.169 nan 8.150 nan 0.000 0.423 608 V N 3.171 123.057 119.914 -0.046 0.000 2.378 608 V HA 0.483 4.603 4.120 -0.000 0.000 0.288 608 V C -0.584 175.471 176.094 -0.066 0.000 1.016 608 V CA -0.425 61.841 62.300 -0.057 0.000 0.840 608 V CB 0.775 32.579 31.823 -0.031 0.000 0.994 608 V HN 1.121 nan 8.190 nan 0.000 0.431 609 N N 2.972 121.598 118.700 -0.124 0.000 3.316 609 N HA 0.321 5.061 4.740 -0.000 0.000 0.300 609 N C 0.714 176.097 175.510 -0.211 0.000 1.567 609 N CA -0.799 52.175 53.050 -0.127 0.000 0.821 609 N CB 0.436 38.838 38.487 -0.142 0.000 1.748 609 N HN 0.523 nan 8.380 nan 0.000 0.603 610 W N -0.540 120.582 121.300 -0.298 0.000 2.387 610 W HA -0.112 4.547 4.660 -0.000 0.000 0.272 610 W C 0.497 176.585 176.519 -0.719 0.000 1.224 610 W CA 1.168 58.215 57.345 -0.497 0.000 1.210 610 W CB -0.847 28.253 29.460 -0.601 0.000 1.125 610 W HN 0.563 nan 8.180 nan 0.000 0.572 611 Q N 0.805 119.696 119.800 -1.514 0.000 2.167 611 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 611 Q C 1.873 177.469 176.000 -0.673 0.000 0.970 611 Q CA 1.796 56.644 55.803 -1.592 0.000 0.855 611 Q CB -0.227 27.733 28.738 -1.297 0.000 0.911 611 Q HN 0.300 nan 8.270 nan 0.000 0.438 612 D N 0.096 120.246 120.400 -0.417 0.000 2.097 612 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 612 D C 1.934 178.168 176.300 -0.110 0.000 0.984 612 D CA 1.437 55.326 54.000 -0.185 0.000 0.826 612 D CB -0.299 40.426 40.800 -0.126 0.000 0.973 612 D HN 0.350 nan 8.370 nan 0.000 0.460 613 G N 1.168 109.904 108.800 -0.107 0.000 2.442 613 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 613 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 613 G C 1.740 176.724 174.900 0.140 0.000 1.141 613 G CA 1.266 46.424 45.100 0.096 0.000 0.763 613 G HN 0.379 nan 8.290 nan 0.000 0.554 614 A N 0.656 123.289 122.820 -0.310 0.000 1.898 614 A HA 0.092 4.411 4.320 -0.000 0.000 0.216 614 A C 2.392 180.092 177.584 0.193 0.000 1.181 614 A CA 1.175 53.085 52.037 -0.211 0.000 0.620 614 A CB -0.321 18.245 19.000 -0.724 0.000 0.819 614 A HN 0.375 nan 8.150 nan 0.000 0.442 615 I N -0.167 120.487 120.570 0.141 0.000 2.163 615 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 615 I C 2.957 179.174 176.117 0.166 0.000 1.085 615 I CA 1.228 62.638 61.300 0.182 0.000 1.347 615 I CB -0.304 37.760 38.000 0.106 0.000 1.044 615 I HN 0.362 nan 8.210 nan 0.000 0.408 616 A N -0.259 122.654 122.820 0.156 0.000 1.930 616 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 616 A C 2.268 179.979 177.584 0.211 0.000 1.175 616 A CA 1.279 53.407 52.037 0.151 0.000 0.627 616 A CB -1.020 18.055 19.000 0.124 0.000 0.815 616 A HN 0.537 nan 8.150 nan 0.000 0.443 617 Y N 0.766 121.185 120.300 0.198 0.000 2.256 617 Y HA -0.205 4.345 4.550 -0.000 0.000 0.288 617 Y C 2.393 178.398 175.900 0.175 0.000 1.155 617 Y CA 1.773 60.022 58.100 0.248 0.000 1.203 617 Y CB -0.156 38.594 38.460 0.483 0.000 0.980 617 Y HN 0.256 nan 8.280 nan 0.000 0.530 618 R N -0.039 120.612 120.500 0.251 0.000 2.159 618 R HA -0.165 4.175 4.340 -0.000 0.000 0.237 618 R C 1.153 177.453 176.300 0.000 0.000 1.131 618 R CA 1.406 57.586 56.100 0.133 0.000 0.982 618 R CB -0.303 30.099 30.300 0.170 0.000 0.868 618 R HN 0.426 nan 8.270 nan 0.000 0.453 619 D N 0.277 120.673 120.400 -0.006 0.000 2.317 619 D HA -0.052 4.588 4.640 -0.000 0.000 0.211 619 D C 1.723 177.962 176.300 -0.102 0.000 0.966 619 D CA 0.866 54.847 54.000 -0.032 0.000 0.876 619 D CB 0.185 40.991 40.800 0.010 0.000 0.927 619 D HN 0.462 nan 8.370 nan 0.000 0.519 620 I N -2.950 117.485 120.570 -0.225 0.000 4.323 620 I HA 0.213 4.383 4.170 -0.000 0.000 0.328 620 I C 0.921 176.582 176.117 -0.759 0.000 1.310 620 I CA -0.398 60.687 61.300 -0.358 0.000 1.186 620 I CB -0.205 37.619 38.000 -0.293 0.000 1.130 620 I HN -0.219 nan 8.210 nan 0.000 0.411 621 M N 3.314 122.450 119.600 -0.773 0.000 2.245 621 M HA 0.252 4.732 4.480 -0.000 0.000 0.330 621 M C 0.047 175.932 176.300 -0.691 0.000 1.098 621 M CA -0.136 54.632 55.300 -0.886 0.000 1.172 621 M CB 0.107 32.477 32.600 -0.382 0.000 1.467 621 M HN 0.234 nan 8.290 nan 0.000 0.454 622 N N 2.378 120.715 118.700 -0.605 0.000 2.407 622 N HA 0.041 4.781 4.740 -0.000 0.000 0.250 622 N C -1.372 174.050 175.510 -0.147 0.000 1.236 622 N CA 0.067 52.978 53.050 -0.231 0.000 0.879 622 N CB 0.127 38.572 38.487 -0.071 0.000 1.088 622 N HN 0.726 nan 8.380 nan 0.000 0.450 623 N N 1.571 120.219 118.700 -0.086 0.000 2.354 623 N HA 0.360 5.100 4.740 -0.000 0.000 0.287 623 N C -2.624 172.884 175.510 -0.003 0.000 1.016 623 N CA -1.037 51.989 53.050 -0.039 0.000 0.871 623 N CB 1.605 40.074 38.487 -0.030 0.000 1.299 623 N HN 0.413 nan 8.380 nan 0.000 0.482 624 P HA -0.075 nan 4.420 nan 0.000 0.265 624 P C -0.343 177.008 177.300 0.086 0.000 1.187 624 P CA 0.133 63.268 63.100 0.058 0.000 0.766 624 P CB 0.223 31.951 31.700 0.048 0.000 0.820 625 Y N 3.686 123.995 120.300 0.016 0.000 2.620 625 Y HA -0.051 4.499 4.550 -0.000 0.000 0.330 625 Y C 1.264 177.172 175.900 0.014 0.000 1.186 625 Y CA 0.412 58.518 58.100 0.011 0.000 1.467 625 Y CB 0.048 38.514 38.460 0.010 0.000 1.262 625 Y HN 0.485 nan 8.280 nan 0.000 0.550 626 K N 1.949 121.977 120.400 -0.619 0.000 3.209 626 K HA -0.263 4.057 4.320 -0.000 0.000 0.289 626 K C 1.188 177.666 176.600 -0.204 0.000 1.191 626 K CA 0.901 56.912 56.287 -0.460 0.000 0.851 626 K CB -1.619 30.584 32.500 -0.494 0.000 1.242 626 K HN 0.793 nan 8.250 nan 0.000 0.480 627 S N -0.367 115.255 115.700 -0.131 0.000 2.474 627 S HA -0.138 4.332 4.470 -0.000 0.000 0.235 627 S C 1.393 175.934 174.600 -0.098 0.000 0.997 627 S CA 0.962 59.112 58.200 -0.084 0.000 0.949 627 S CB 0.070 63.235 63.200 -0.059 0.000 0.766 627 S HN 0.425 nan 8.310 nan 0.000 0.517 628 E N 1.558 121.692 120.200 -0.110 0.000 2.265 628 E HA -0.170 4.179 4.350 -0.000 0.000 0.196 628 E C 2.025 178.548 176.600 -0.129 0.000 0.996 628 E CA 1.285 57.622 56.400 -0.104 0.000 0.832 628 E CB -0.109 29.538 29.700 -0.089 0.000 0.756 628 E HN 0.974 nan 8.360 nan 0.000 0.491 629 E N 0.247 120.369 120.200 -0.130 0.000 2.474 629 E HA -0.023 4.327 4.350 -0.000 0.000 0.194 629 E C 1.809 178.321 176.600 -0.146 0.000 1.041 629 E CA 0.170 56.492 56.400 -0.130 0.000 0.874 629 E CB 0.139 29.769 29.700 -0.116 0.000 0.914 629 E HN -0.036 nan 8.360 nan 0.000 0.498 630 V N 2.130 121.968 119.914 -0.127 0.000 2.282 630 V HA -0.211 3.909 4.120 -0.000 0.000 0.249 630 V C -0.541 175.491 176.094 -0.103 0.000 1.057 630 V CA 2.261 64.511 62.300 -0.084 0.000 1.032 630 V CB -1.269 30.545 31.823 -0.015 0.000 0.645 630 V HN 0.317 nan 8.190 nan 0.000 0.447 631 P HA -0.093 nan 4.420 nan 0.000 0.225 631 P C 1.265 178.467 177.300 -0.164 0.000 1.148 631 P CA 0.977 63.847 63.100 -0.383 0.000 0.779 631 P CB 0.032 31.083 31.700 -1.082 0.000 0.780 632 E N -0.887 119.251 120.200 -0.103 0.000 2.435 632 E HA 0.062 4.412 4.350 -0.000 0.000 0.195 632 E C 0.596 177.185 176.600 -0.018 0.000 1.029 632 E CA 0.234 56.657 56.400 0.038 0.000 0.865 632 E CB -0.603 29.086 29.700 -0.018 0.000 0.833 632 E HN 0.270 nan 8.360 nan 0.000 0.510 633 L N 0.964 122.129 121.223 -0.097 0.000 2.423 633 L HA 0.111 4.451 4.340 -0.000 0.000 0.249 633 L C 0.950 177.752 176.870 -0.113 0.000 1.276 633 L CA -0.344 54.341 54.840 -0.258 0.000 1.199 633 L CB 0.171 41.932 42.059 -0.497 0.000 1.407 633 L HN -0.055 nan 8.230 nan 0.000 0.410 634 V N 1.014 120.904 119.914 -0.041 0.000 2.379 634 V HA -0.095 4.024 4.120 -0.000 0.000 0.245 634 V C 1.550 177.721 176.094 0.129 0.000 1.044 634 V CA 1.540 63.871 62.300 0.052 0.000 1.036 634 V CB -0.092 31.631 31.823 -0.166 0.000 0.664 634 V HN 0.721 nan 8.190 nan 0.000 0.453 635 A N -0.838 121.978 122.820 -0.006 0.000 2.838 635 A HA 0.435 4.755 4.320 -0.000 0.000 0.337 635 A C -0.845 176.800 177.584 0.102 0.000 1.383 635 A CA -0.535 51.569 52.037 0.113 0.000 0.985 635 A CB -0.485 18.575 19.000 0.099 0.000 1.157 635 A HN 0.440 nan 8.150 nan 0.000 0.497 636 W N 2.015 123.361 121.300 0.077 0.000 2.251 636 W HA 0.602 5.261 4.660 -0.000 0.000 0.329 636 W C 1.065 177.682 176.519 0.164 0.000 1.234 636 W CA 0.392 57.693 57.345 -0.073 0.000 1.228 636 W CB 0.873 30.141 29.460 -0.319 0.000 1.135 636 W HN 0.761 nan 8.180 nan 0.000 0.576 637 R N 1.374 122.061 120.500 0.311 0.000 2.774 637 R HA 0.579 4.919 4.340 -0.000 0.000 0.279 637 R C -1.971 174.343 176.300 0.023 0.000 1.022 637 R CA -1.082 55.133 56.100 0.191 0.000 0.855 637 R CB 0.656 30.957 30.300 0.002 0.000 1.279 637 R HN 0.458 nan 8.270 nan 0.000 0.485 638 I N 1.174 121.716 120.570 -0.047 0.000 2.377 638 I HA 0.538 4.708 4.170 -0.000 0.000 0.293 638 I C -0.247 175.812 176.117 -0.096 0.000 0.987 638 I CA -0.819 60.409 61.300 -0.120 0.000 1.185 638 I CB 2.035 39.858 38.000 -0.295 0.000 1.341 638 I HN 0.776 nan 8.210 nan 0.000 0.455 639 A N 7.881 130.665 122.820 -0.061 0.000 2.271 639 A HA 0.718 5.038 4.320 -0.000 0.000 0.317 639 A C -0.545 177.060 177.584 0.035 0.000 1.245 639 A CA -0.501 51.516 52.037 -0.034 0.000 0.857 639 A CB 0.869 19.876 19.000 0.011 0.000 1.175 639 A HN 0.783 nan 8.150 nan 0.000 0.512 640 M N 3.531 123.169 119.600 0.063 0.000 2.364 640 M HA 0.393 4.873 4.480 -0.000 0.000 0.334 640 M C -1.150 175.236 176.300 0.144 0.000 1.107 640 M CA -0.439 54.934 55.300 0.121 0.000 0.988 640 M CB 1.213 33.927 32.600 0.190 0.000 1.673 640 M HN 0.763 nan 8.290 nan 0.000 0.441 641 N N 3.499 122.301 118.700 0.171 0.000 2.265 641 N HA 0.644 5.383 4.740 -0.000 0.000 0.300 641 N C -1.993 173.695 175.510 0.295 0.000 1.148 641 N CA -0.233 52.922 53.050 0.174 0.000 0.772 641 N CB 2.674 41.197 38.487 0.060 0.000 1.434 641 N HN 0.638 nan 8.380 nan 0.000 0.481 642 F N -0.775 119.239 119.950 0.107 0.000 2.650 642 F HA 0.408 4.935 4.527 -0.000 0.000 0.310 642 F C 0.494 176.349 175.800 0.092 0.000 1.112 642 F CA -0.131 57.945 58.000 0.128 0.000 0.986 642 F CB 1.280 40.396 39.000 0.193 0.000 1.285 642 F HN 0.602 nan 8.300 nan 0.000 0.440 643 G N 3.372 111.688 108.800 -0.806 0.000 2.273 643 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.280 643 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.280 643 G C 0.531 175.381 174.900 -0.083 0.000 1.047 643 G CA 0.754 45.574 45.100 -0.467 0.000 0.869 643 G HN 1.835 nan 8.290 nan 0.000 0.502 644 S N -2.336 113.312 115.700 -0.087 0.000 2.929 644 S HA -0.282 4.188 4.470 -0.000 0.000 0.271 644 S C 1.625 176.201 174.600 -0.039 0.000 1.295 644 S CA 1.821 59.985 58.200 -0.061 0.000 1.277 644 S CB -0.914 62.250 63.200 -0.060 0.000 1.557 644 S HN 0.746 nan 8.310 nan 0.000 0.666 645 Q N 0.305 120.111 119.800 0.010 0.000 2.297 645 Q HA 0.296 4.635 4.340 -0.000 0.000 0.204 645 Q C 1.425 177.441 176.000 0.028 0.000 0.962 645 Q CA 1.020 56.840 55.803 0.027 0.000 0.879 645 Q CB -0.465 28.322 28.738 0.083 0.000 0.947 645 Q HN 1.361 nan 8.270 nan 0.000 0.462 646 A N 1.174 124.010 122.820 0.027 0.000 2.687 646 A HA -0.294 4.026 4.320 -0.000 0.000 0.299 646 A C 1.035 178.672 177.584 0.089 0.000 1.497 646 A CA 1.061 53.114 52.037 0.027 0.000 0.751 646 A CB -1.790 17.229 19.000 0.031 0.000 1.048 646 A HN 0.418 nan 8.150 nan 0.000 0.464 647 Q N 0.288 120.163 119.800 0.125 0.000 2.135 647 Q HA -0.083 4.256 4.340 -0.000 0.000 0.204 647 Q C 0.734 176.832 176.000 0.163 0.000 0.981 647 Q CA 1.864 57.793 55.803 0.211 0.000 0.856 647 Q CB 0.057 28.936 28.738 0.235 0.000 0.902 647 Q HN 0.813 nan 8.270 nan 0.000 0.425 648 N N 0.320 119.066 118.700 0.077 0.000 2.750 648 N HA 0.261 5.001 4.740 -0.000 0.000 0.253 648 N C -2.824 172.650 175.510 -0.059 0.000 1.408 648 N CA -1.110 51.959 53.050 0.032 0.000 0.780 648 N CB 1.631 40.137 38.487 0.031 0.000 1.191 648 N HN 0.006 nan 8.380 nan 0.000 0.511 649 P HA 0.125 nan 4.420 nan 0.000 0.270 649 P C 0.819 178.058 177.300 -0.103 0.000 1.223 649 P CA -0.321 62.672 63.100 -0.177 0.000 0.785 649 P CB 0.563 32.230 31.700 -0.054 0.000 0.923 650 F N 0.192 120.158 119.950 0.027 0.000 2.161 650 F HA -0.149 4.377 4.527 -0.000 0.000 0.300 650 F C 2.058 177.846 175.800 -0.019 0.000 1.089 650 F CA 1.427 59.419 58.000 -0.013 0.000 1.282 650 F CB -1.352 37.619 39.000 -0.048 0.000 1.010 650 F HN 0.220 nan 8.300 nan 0.000 0.485 651 L N -1.147 120.173 121.223 0.163 0.000 2.217 651 L HA -0.144 4.196 4.340 -0.000 0.000 0.211 651 L C 2.241 179.167 176.870 0.092 0.000 1.107 651 L CA 1.177 56.074 54.840 0.096 0.000 0.783 651 L CB -1.085 41.008 42.059 0.057 0.000 0.919 651 L HN 0.129 nan 8.230 nan 0.000 0.442 652 T N -0.987 113.619 114.554 0.088 0.000 2.777 652 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 652 T C 1.936 176.707 174.700 0.118 0.000 1.040 652 T CA 1.839 63.993 62.100 0.091 0.000 1.141 652 T CB -0.182 68.730 68.868 0.072 0.000 0.868 652 T HN 0.330 nan 8.240 nan 0.000 0.444 653 T N 2.703 117.335 114.554 0.129 0.000 2.720 653 T HA -0.091 4.259 4.350 -0.000 0.000 0.268 653 T C 1.874 176.694 174.700 0.200 0.000 1.037 653 T CA 0.934 63.133 62.100 0.165 0.000 1.144 653 T CB -0.509 68.491 68.868 0.220 0.000 0.864 653 T HN 0.124 nan 8.240 nan 0.000 0.444 654 L N 1.637 122.957 121.223 0.162 0.000 2.042 654 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 654 L C 1.892 178.835 176.870 0.121 0.000 1.076 654 L CA 1.900 56.824 54.840 0.140 0.000 0.749 654 L CB -0.783 41.319 42.059 0.073 0.000 0.893 654 L HN 0.054 nan 8.230 nan 0.000 0.432 655 D N -0.528 119.968 120.400 0.160 0.000 2.117 655 D HA -0.153 4.486 4.640 -0.000 0.000 0.197 655 D C 1.885 178.371 176.300 0.309 0.000 0.987 655 D CA 1.016 55.179 54.000 0.271 0.000 0.829 655 D CB -0.177 40.794 40.800 0.285 0.000 0.961 655 D HN 0.398 nan 8.370 nan 0.000 0.460 656 N N 0.079 118.926 118.700 0.244 0.000 2.309 656 N HA -0.091 4.649 4.740 -0.000 0.000 0.182 656 N C 1.980 177.671 175.510 0.302 0.000 1.018 656 N CA 0.196 53.430 53.050 0.307 0.000 0.876 656 N CB -0.287 38.386 38.487 0.310 0.000 0.972 656 N HN 0.076 nan 8.380 nan 0.000 0.434 657 V N 1.656 121.692 119.914 0.203 0.000 2.287 657 V HA -0.255 3.864 4.120 -0.000 0.000 0.248 657 V C 2.137 178.239 176.094 0.014 0.000 1.053 657 V CA 1.659 64.034 62.300 0.125 0.000 1.027 657 V CB -0.317 31.591 31.823 0.141 0.000 0.646 657 V HN 0.336 nan 8.190 nan 0.000 0.447 658 K N -0.273 120.061 120.400 -0.110 0.000 2.097 658 K HA -0.202 4.117 4.320 -0.000 0.000 0.205 658 K C 2.252 178.839 176.600 -0.021 0.000 1.050 658 K CA 1.408 57.488 56.287 -0.345 0.000 0.938 658 K CB -0.189 31.940 32.500 -0.617 0.000 0.718 658 K HN 0.385 nan 8.250 nan 0.000 0.442 659 K N 1.138 121.703 120.400 0.275 0.000 2.002 659 K HA -0.136 4.183 4.320 -0.000 0.000 0.209 659 K C 1.968 178.750 176.600 0.303 0.000 1.048 659 K CA 1.288 57.791 56.287 0.360 0.000 0.930 659 K CB -0.027 32.618 32.500 0.241 0.000 0.714 659 K HN -0.098 nan 8.250 nan 0.000 0.438 660 V N 1.510 121.627 119.914 0.338 0.000 2.332 660 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 660 V C 2.475 178.694 176.094 0.209 0.000 1.055 660 V CA 2.003 64.503 62.300 0.334 0.000 1.038 660 V CB -0.823 31.218 31.823 0.363 0.000 0.651 660 V HN 0.532 nan 8.190 nan 0.000 0.450 661 A N -0.223 122.684 122.820 0.146 0.000 1.883 661 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 661 A C 2.233 179.907 177.584 0.151 0.000 1.186 661 A CA 2.030 54.147 52.037 0.133 0.000 0.624 661 A CB -0.578 18.506 19.000 0.141 0.000 0.822 661 A HN 0.507 nan 8.150 nan 0.000 0.444 662 L N -0.496 120.814 121.223 0.146 0.000 2.017 662 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 662 L C 2.454 179.439 176.870 0.191 0.000 1.073 662 L CA 1.493 56.427 54.840 0.157 0.000 0.745 662 L CB -0.531 41.628 42.059 0.167 0.000 0.894 662 L HN 0.422 nan 8.230 nan 0.000 0.432 663 N N -0.512 118.327 118.700 0.232 0.000 2.459 663 N HA -0.108 4.632 4.740 -0.000 0.000 0.181 663 N C 1.530 177.216 175.510 0.293 0.000 1.046 663 N CA 1.586 54.794 53.050 0.263 0.000 0.904 663 N CB 0.163 38.850 38.487 0.333 0.000 0.964 663 N HN 0.418 nan 8.380 nan 0.000 0.444 664 T N -3.845 110.842 114.554 0.222 0.000 3.054 664 T HA 0.122 4.472 4.350 -0.000 0.000 0.255 664 T C 0.258 175.102 174.700 0.239 0.000 1.035 664 T CA -0.074 62.124 62.100 0.164 0.000 0.941 664 T CB 0.238 69.060 68.868 -0.076 0.000 1.026 664 T HN -0.019 nan 8.240 nan 0.000 0.533 665 D N 1.256 121.803 120.400 0.245 0.000 2.751 665 D HA -0.115 4.525 4.640 -0.000 0.000 0.233 665 D C 1.090 177.492 176.300 0.170 0.000 1.149 665 D CA 1.649 55.783 54.000 0.224 0.000 0.682 665 D CB -1.529 39.435 40.800 0.274 0.000 1.068 665 D HN 1.047 nan 8.370 nan 0.000 0.429 666 G N -1.477 107.397 108.800 0.123 0.000 2.130 666 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.216 666 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.216 666 G C 0.411 175.300 174.900 -0.018 0.000 0.999 666 G CA 0.062 45.211 45.100 0.082 0.000 0.686 666 G HN 0.552 nan 8.290 nan 0.000 0.515 667 L N 0.658 121.832 121.223 -0.082 0.000 2.452 667 L HA 0.511 4.851 4.340 -0.000 0.000 0.267 667 L C 1.703 178.486 176.870 -0.146 0.000 1.188 667 L CA 0.069 54.788 54.840 -0.202 0.000 0.821 667 L CB 0.407 42.212 42.059 -0.424 0.000 1.102 667 L HN 0.268 nan 8.230 nan 0.000 0.470 668 G N 1.394 110.110 108.800 -0.139 0.000 2.664 668 G HA2 0.325 4.285 3.960 -0.000 0.000 0.242 668 G HA3 0.325 4.285 3.960 -0.000 0.000 0.242 668 G C -0.677 174.117 174.900 -0.176 0.000 1.225 668 G CA -0.349 44.659 45.100 -0.153 0.000 0.849 668 G HN 0.656 nan 8.290 nan 0.000 0.581 669 Q N -0.989 118.673 119.800 -0.231 0.000 2.456 669 Q HA 0.593 4.932 4.340 -0.000 0.000 0.283 669 Q C -1.234 174.464 176.000 -0.503 0.000 1.084 669 Q CA -0.868 54.760 55.803 -0.291 0.000 0.801 669 Q CB 2.446 31.064 28.738 -0.200 0.000 1.434 669 Q HN 0.477 nan 8.270 nan 0.000 0.419 670 S N 0.983 116.284 115.700 -0.666 0.000 2.721 670 S HA 0.402 4.872 4.470 -0.000 0.000 0.264 670 S C -1.344 172.898 174.600 -0.595 0.000 1.161 670 S CA -0.422 57.218 58.200 -0.935 0.000 1.113 670 S CB 0.744 62.713 63.200 -2.052 0.000 1.079 670 S HN 0.356 nan 8.310 nan 0.000 0.479 671 V N 6.244 125.923 119.914 -0.393 0.000 2.350 671 V HA 0.459 4.579 4.120 -0.000 0.000 0.276 671 V C 0.124 176.240 176.094 0.037 0.000 1.028 671 V CA -0.673 61.517 62.300 -0.184 0.000 0.860 671 V CB 1.303 32.971 31.823 -0.258 0.000 0.990 671 V HN 0.828 nan 8.190 nan 0.000 0.453 672 L N 6.540 127.823 121.223 0.100 0.000 2.260 672 L HA 0.489 4.828 4.340 -0.000 0.000 0.289 672 L C -0.463 176.400 176.870 -0.013 0.000 1.057 672 L CA -0.459 54.430 54.840 0.082 0.000 0.811 672 L CB 0.770 42.828 42.059 -0.002 0.000 1.184 672 L HN 0.579 nan 8.230 nan 0.000 0.429 673 L N 6.370 127.588 121.223 -0.007 0.000 2.328 673 L HA 0.301 4.641 4.340 -0.000 0.000 0.280 673 L C 0.179 177.151 176.870 0.169 0.000 1.111 673 L CA 0.000 54.911 54.840 0.118 0.000 0.909 673 L CB 0.207 42.379 42.059 0.188 0.000 1.277 673 L HN 0.521 nan 8.230 nan 0.000 0.433 674 K N 2.981 123.434 120.400 0.089 0.000 2.263 674 K HA 0.429 4.749 4.320 -0.000 0.000 0.282 674 K C 0.803 177.492 176.600 0.149 0.000 1.089 674 K CA 0.296 56.617 56.287 0.057 0.000 0.907 674 K CB 0.610 32.974 32.500 -0.226 0.000 1.148 674 K HN 0.719 nan 8.250 nan 0.000 0.470 675 G N 4.014 112.970 108.800 0.261 0.000 2.135 675 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.183 675 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.183 675 G C 0.207 175.203 174.900 0.160 0.000 1.004 675 G CA 0.313 45.534 45.100 0.202 0.000 0.677 675 G HN 0.854 nan 8.290 nan 0.000 0.512 676 Y N 0.056 120.467 120.300 0.185 0.000 2.497 676 Y HA 0.392 4.941 4.550 -0.000 0.000 0.292 676 Y C 1.299 177.359 175.900 0.266 0.000 1.137 676 Y CA 0.516 58.791 58.100 0.292 0.000 1.285 676 Y CB -0.062 38.573 38.460 0.291 0.000 0.991 676 Y HN 0.497 nan 8.280 nan 0.000 0.556 677 G N 0.294 108.559 108.800 -0.892 0.000 2.454 677 G HA2 0.334 4.294 3.960 -0.000 0.000 0.329 677 G HA3 0.334 4.294 3.960 -0.000 0.000 0.329 677 G C -0.505 174.209 174.900 -0.312 0.000 1.177 677 G CA -0.165 44.422 45.100 -0.855 0.000 0.951 677 G HN 0.447 nan 8.290 nan 0.000 0.485 678 N N -0.607 117.995 118.700 -0.164 0.000 1.149 678 N HA -0.233 4.506 4.740 -0.000 0.000 0.118 678 N C 0.755 176.240 175.510 -0.040 0.000 0.756 678 N CA 1.667 54.689 53.050 -0.047 0.000 0.861 678 N CB -0.636 37.822 38.487 -0.049 0.000 1.099 678 N HN 0.483 nan 8.380 nan 0.000 0.597 679 E N 1.739 121.919 120.200 -0.032 0.000 2.489 679 E HA 0.254 4.604 4.350 -0.000 0.000 0.193 679 E C 0.945 177.473 176.600 -0.119 0.000 1.057 679 E CA 0.940 57.310 56.400 -0.050 0.000 0.866 679 E CB -0.108 29.612 29.700 0.033 0.000 0.916 679 E HN 0.662 nan 8.360 nan 0.000 0.500 680 G N 0.505 109.229 108.800 -0.127 0.000 2.270 680 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.268 680 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.268 680 G C -1.162 173.721 174.900 -0.029 0.000 1.312 680 G CA -0.670 44.390 45.100 -0.066 0.000 1.050 680 G HN 0.264 nan 8.290 nan 0.000 0.474 681 H N 1.354 120.446 119.070 0.037 0.000 2.886 681 H HA 0.461 5.017 4.556 -0.000 0.000 0.329 681 H C 0.543 175.927 175.328 0.093 0.000 1.044 681 H CA 1.444 57.559 56.048 0.111 0.000 1.456 681 H CB 0.397 30.338 29.762 0.298 0.000 1.464 681 H HN 0.652 nan 8.280 nan 0.000 0.573 682 D N 2.583 122.751 120.400 -0.388 0.000 2.772 682 D HA -0.186 4.454 4.640 -0.000 0.000 0.233 682 D C -0.857 175.155 176.300 -0.481 0.000 1.143 682 D CA 1.347 55.174 54.000 -0.288 0.000 0.700 682 D CB -1.284 39.407 40.800 -0.182 0.000 1.076 682 D HN 0.448 nan 8.370 nan 0.000 0.430 683 S N -1.674 113.721 115.700 -0.507 0.000 2.548 683 S HA 0.678 5.148 4.470 -0.000 0.000 0.286 683 S C 1.273 175.722 174.600 -0.252 0.000 1.098 683 S CA -0.157 57.772 58.200 -0.452 0.000 0.930 683 S CB 2.278 65.285 63.200 -0.322 0.000 1.070 683 S HN 0.536 nan 8.310 nan 0.000 0.480 684 G N 1.522 110.317 108.800 -0.009 0.000 2.184 684 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.264 684 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.264 684 G C -0.112 174.871 174.900 0.137 0.000 0.975 684 G CA 0.074 45.203 45.100 0.049 0.000 0.642 684 G HN 0.769 nan 8.290 nan 0.000 0.536 685 H N 0.952 120.209 119.070 0.311 0.000 3.034 685 H HA 0.317 4.873 4.556 -0.000 0.000 0.324 685 H C -1.837 173.503 175.328 0.021 0.000 1.015 685 H CA -0.275 55.868 56.048 0.159 0.000 1.429 685 H CB 1.201 31.043 29.762 0.133 0.000 1.429 685 H HN 0.261 nan 8.280 nan 0.000 0.585 686 P HA 0.131 nan 4.420 nan 0.000 0.269 686 P C -0.690 176.262 177.300 -0.580 0.000 1.857 686 P CA -0.494 62.506 63.100 -0.167 0.000 1.213 686 P CB 0.152 31.680 31.700 -0.286 0.000 1.702 687 D N 0.546 120.813 120.400 -0.221 0.000 2.551 687 D HA 0.055 4.694 4.640 -0.000 0.000 0.223 687 D C 0.917 177.187 176.300 -0.049 0.000 1.144 687 D CA -0.230 53.647 54.000 -0.205 0.000 1.025 687 D CB -0.127 40.621 40.800 -0.087 0.000 1.085 687 D HN 0.122 nan 8.370 nan 0.000 0.506 688 Y N 0.352 120.688 120.300 0.061 0.000 2.256 688 Y HA -0.054 4.496 4.550 -0.000 0.000 0.288 688 Y C 2.500 178.534 175.900 0.224 0.000 1.155 688 Y CA 0.761 58.959 58.100 0.164 0.000 1.203 688 Y CB -0.636 37.844 38.460 0.032 0.000 0.980 688 Y HN 0.332 nan 8.280 nan 0.000 0.530 689 G N -0.988 107.959 108.800 0.245 0.000 2.920 689 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.208 689 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.208 689 G C 0.005 174.998 174.900 0.155 0.000 1.159 689 G CA 0.171 45.393 45.100 0.204 0.000 0.784 689 G HN 0.183 nan 8.290 nan 0.000 0.535 690 D N 1.219 121.686 120.400 0.111 0.000 2.453 690 D HA 0.180 4.820 4.640 -0.000 0.000 0.223 690 D C 0.215 176.538 176.300 0.037 0.000 1.183 690 D CA -0.442 53.593 54.000 0.060 0.000 0.933 690 D CB -0.178 40.631 40.800 0.015 0.000 1.038 690 D HN 0.086 nan 8.370 nan 0.000 0.513 691 I N 2.112 122.748 120.570 0.110 0.000 2.441 691 I HA 0.203 4.372 4.170 -0.000 0.000 0.287 691 I C 1.554 177.745 176.117 0.125 0.000 1.049 691 I CA -0.820 60.575 61.300 0.157 0.000 1.381 691 I CB 1.355 39.503 38.000 0.246 0.000 1.409 691 I HN 0.336 nan 8.210 nan 0.000 0.523 692 G N 5.861 114.719 108.800 0.096 0.000 2.239 692 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.278 692 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.278 692 G C 0.851 175.780 174.900 0.049 0.000 1.071 692 G CA -0.355 44.757 45.100 0.020 0.000 1.198 692 G HN 0.683 nan 8.290 nan 0.000 0.410 693 Q N 2.628 122.451 119.800 0.037 0.000 2.135 693 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 693 Q C 2.560 178.557 176.000 -0.005 0.000 0.981 693 Q CA 1.181 57.005 55.803 0.036 0.000 0.856 693 Q CB -0.094 28.663 28.738 0.031 0.000 0.902 693 Q HN 0.745 nan 8.270 nan 0.000 0.425 694 R N 0.163 120.629 120.500 -0.056 0.000 2.285 694 R HA 0.042 4.381 4.340 -0.000 0.000 0.213 694 R C 1.940 178.202 176.300 -0.062 0.000 1.068 694 R CA 0.404 56.470 56.100 -0.058 0.000 1.004 694 R CB -0.049 30.197 30.300 -0.090 0.000 0.873 694 R HN 0.204 nan 8.270 nan 0.000 0.467 695 L N -1.351 119.787 121.223 -0.141 0.000 2.567 695 L HA 0.259 4.599 4.340 -0.000 0.000 0.225 695 L C 1.164 177.928 176.870 -0.178 0.000 1.119 695 L CA 0.466 55.107 54.840 -0.332 0.000 0.871 695 L CB 0.414 41.935 42.059 -0.896 0.000 1.036 695 L HN 0.438 nan 8.230 nan 0.000 0.459 696 G N -0.690 108.125 108.800 0.024 0.000 2.205 696 G HA2 -0.036 3.923 3.960 -0.000 0.000 0.180 696 G HA3 -0.036 3.923 3.960 -0.000 0.000 0.180 696 G C 0.674 175.712 174.900 0.231 0.000 1.004 696 G CA -0.199 44.991 45.100 0.150 0.000 0.670 696 G HN 0.671 nan 8.290 nan 0.000 0.496 697 G N -0.228 108.739 108.800 0.278 0.000 2.692 697 G HA2 0.211 4.170 3.960 -0.000 0.000 0.248 697 G HA3 0.211 4.170 3.960 -0.000 0.000 0.248 697 G C 1.374 176.420 174.900 0.242 0.000 1.340 697 G CA 1.605 46.857 45.100 0.253 0.000 0.896 697 G HN 1.860 nan 8.290 nan 0.000 0.570 698 A N -1.385 121.512 122.820 0.129 0.000 1.940 698 A HA -0.013 4.307 4.320 -0.000 0.000 0.219 698 A C 2.073 179.656 177.584 -0.002 0.000 1.176 698 A CA 2.634 54.694 52.037 0.038 0.000 0.631 698 A CB -0.572 18.458 19.000 0.050 0.000 0.814 698 A HN 0.749 nan 8.150 nan 0.000 0.446 699 D N 0.333 120.757 120.400 0.041 0.000 2.092 699 D HA -0.134 4.506 4.640 -0.000 0.000 0.193 699 D C 1.378 177.686 176.300 0.014 0.000 0.994 699 D CA 1.645 55.661 54.000 0.027 0.000 0.828 699 D CB -0.481 40.348 40.800 0.048 0.000 0.963 699 D HN 0.385 nan 8.370 nan 0.000 0.450 700 D N -0.275 120.172 120.400 0.078 0.000 2.144 700 D HA -0.084 4.555 4.640 -0.000 0.000 0.200 700 D C 2.024 178.300 176.300 -0.040 0.000 0.978 700 D CA 0.306 54.366 54.000 0.099 0.000 0.833 700 D CB -0.267 40.682 40.800 0.248 0.000 0.961 700 D HN 0.166 nan 8.370 nan 0.000 0.470 701 M N 0.457 119.902 119.600 -0.257 0.000 2.080 701 M HA -0.188 4.291 4.480 -0.000 0.000 0.260 701 M C 1.560 177.568 176.300 -0.488 0.000 1.068 701 M CA 1.337 56.126 55.300 -0.853 0.000 1.109 701 M CB 0.025 31.957 32.600 -1.114 0.000 1.342 701 M HN -0.065 nan 8.290 nan 0.000 0.405 702 N N -0.395 118.140 118.700 -0.274 0.000 2.166 702 N HA -0.128 4.612 4.740 -0.000 0.000 0.186 702 N C 1.558 176.978 175.510 -0.150 0.000 1.019 702 N CA 2.021 54.963 53.050 -0.181 0.000 0.856 702 N CB -0.524 37.907 38.487 -0.094 0.000 0.993 702 N HN 0.424 nan 8.380 nan 0.000 0.426 703 T N 1.980 116.464 114.554 -0.117 0.000 2.708 703 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 703 T C 1.944 176.578 174.700 -0.110 0.000 1.037 703 T CA 0.869 62.923 62.100 -0.077 0.000 1.146 703 T CB -0.116 68.728 68.868 -0.039 0.000 0.865 703 T HN 0.243 nan 8.240 nan 0.000 0.435 704 M N 0.445 119.932 119.600 -0.189 0.000 2.073 704 M HA -0.138 4.342 4.480 -0.000 0.000 0.258 704 M C 2.212 178.244 176.300 -0.446 0.000 1.070 704 M CA 1.892 57.016 55.300 -0.293 0.000 1.103 704 M CB -0.275 32.078 32.600 -0.412 0.000 1.321 704 M HN 0.259 nan 8.290 nan 0.000 0.405 705 M N -0.397 118.877 119.600 -0.543 0.000 2.099 705 M HA -0.202 4.278 4.480 -0.000 0.000 0.262 705 M C 1.848 178.138 176.300 -0.016 0.000 1.067 705 M CA 1.818 56.898 55.300 -0.368 0.000 1.124 705 M CB -0.601 31.834 32.600 -0.276 0.000 1.353 705 M HN 0.314 nan 8.290 nan 0.000 0.410 706 E N 0.083 120.259 120.200 -0.040 0.000 2.051 706 E HA -0.182 4.167 4.350 -0.000 0.000 0.192 706 E C 2.066 178.704 176.600 0.065 0.000 0.991 706 E CA 1.038 57.449 56.400 0.018 0.000 0.799 706 E CB -0.017 29.678 29.700 -0.008 0.000 0.748 706 E HN 0.392 nan 8.360 nan 0.000 0.449 707 E N 0.044 120.283 120.200 0.064 0.000 2.107 707 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 707 E C 2.238 179.002 176.600 0.273 0.000 0.982 707 E CA 0.999 57.481 56.400 0.137 0.000 0.809 707 E CB -0.551 29.216 29.700 0.112 0.000 0.756 707 E HN 0.348 nan 8.360 nan 0.000 0.459 708 G N 1.624 110.595 108.800 0.285 0.000 2.450 708 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.220 708 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.220 708 G C 1.763 176.920 174.900 0.429 0.000 1.130 708 G CA 1.501 46.885 45.100 0.473 0.000 0.760 708 G HN 0.422 nan 8.290 nan 0.000 0.557 709 S N 0.564 116.462 115.700 0.330 0.000 2.419 709 S HA -0.036 4.434 4.470 -0.000 0.000 0.233 709 S C 2.001 176.780 174.600 0.298 0.000 1.016 709 S CA 1.361 59.723 58.200 0.269 0.000 0.974 709 S CB -0.199 63.116 63.200 0.191 0.000 0.786 709 S HN 0.470 nan 8.310 nan 0.000 0.492 710 K N -0.113 120.414 120.400 0.211 0.000 2.365 710 K HA 0.035 4.355 4.320 -0.000 0.000 0.199 710 K C 0.407 176.998 176.600 -0.015 0.000 1.045 710 K CA 0.928 57.250 56.287 0.057 0.000 0.962 710 K CB -0.206 32.210 32.500 -0.139 0.000 0.759 710 K HN 0.565 nan 8.250 nan 0.000 0.469 711 Y N -0.170 120.259 120.300 0.214 0.000 2.607 711 Y HA 0.207 4.757 4.550 -0.000 0.000 0.266 711 Y C 1.196 177.104 175.900 0.013 0.000 1.178 711 Y CA -0.142 58.028 58.100 0.115 0.000 1.226 711 Y CB 0.846 39.349 38.460 0.072 0.000 1.144 711 Y HN 0.148 nan 8.280 nan 0.000 0.528 712 G N 0.668 109.552 108.800 0.140 0.000 2.179 712 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.257 712 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.257 712 G C 0.205 175.076 174.900 -0.047 0.000 1.010 712 G CA 0.141 45.203 45.100 -0.064 0.000 0.736 712 G HN 0.617 nan 8.290 nan 0.000 0.513 713 A N -0.268 122.563 122.820 0.018 0.000 2.309 713 A HA 0.821 5.140 4.320 -0.000 0.000 0.290 713 A C 0.572 178.004 177.584 -0.255 0.000 1.206 713 A CA -0.207 51.717 52.037 -0.190 0.000 0.850 713 A CB 0.509 19.380 19.000 -0.215 0.000 1.118 713 A HN 0.420 nan 8.150 nan 0.000 0.523 714 R N 0.876 121.145 120.500 -0.385 0.000 2.486 714 R HA 0.719 5.059 4.340 -0.000 0.000 0.286 714 R C -1.272 174.730 176.300 -0.495 0.000 0.999 714 R CA -0.005 55.946 56.100 -0.249 0.000 0.993 714 R CB 0.720 30.911 30.300 -0.181 0.000 1.084 714 R HN 0.615 nan 8.270 nan 0.000 0.487 715 F N -0.539 119.384 119.950 -0.044 0.000 2.577 715 F HA 0.788 5.314 4.527 -0.000 0.000 0.318 715 F C 0.737 176.153 175.800 -0.640 0.000 1.065 715 F CA -0.600 57.277 58.000 -0.206 0.000 0.929 715 F CB 2.755 41.628 39.000 -0.211 0.000 1.237 715 F HN 0.561 nan 8.300 nan 0.000 0.468 716 G N 0.104 108.271 108.800 -1.056 0.000 2.684 716 G HA2 0.627 4.587 3.960 -0.000 0.000 0.290 716 G HA3 0.627 4.587 3.960 -0.000 0.000 0.290 716 G C -2.008 172.289 174.900 -1.006 0.000 1.425 716 G CA -0.873 43.158 45.100 -1.781 0.000 0.822 716 G HN 0.821 nan 8.290 nan 0.000 0.482 717 V N -1.912 117.510 119.914 -0.820 0.000 2.769 717 V HA 0.720 4.840 4.120 -0.000 0.000 0.312 717 V C -0.271 175.710 176.094 -0.187 0.000 1.061 717 V CA -1.139 60.817 62.300 -0.573 0.000 0.931 717 V CB 1.372 32.455 31.823 -1.234 0.000 1.010 717 V HN 1.009 nan 8.190 nan 0.000 0.433 718 H N 3.239 122.329 119.070 0.033 0.000 2.878 718 H HA 0.652 5.208 4.556 -0.000 0.000 0.290 718 H C -0.210 175.309 175.328 0.319 0.000 1.065 718 H CA 0.028 56.255 56.048 0.298 0.000 1.477 718 H CB 1.249 31.233 29.762 0.370 0.000 1.484 718 H HN 0.968 nan 8.280 nan 0.000 0.504 719 V N 2.972 123.008 119.914 0.203 0.000 3.046 719 V HA 0.491 4.611 4.120 -0.000 0.000 0.316 719 V C -0.614 175.456 176.094 -0.040 0.000 1.104 719 V CA -1.180 61.234 62.300 0.190 0.000 1.006 719 V CB 2.121 33.847 31.823 -0.161 0.000 1.058 719 V HN 0.842 nan 8.190 nan 0.000 0.440 720 N N 1.191 119.870 118.700 -0.036 0.000 2.352 720 N HA 0.697 5.437 4.740 -0.000 0.000 0.291 720 N C -0.227 175.320 175.510 0.061 0.000 1.040 720 N CA 0.141 53.101 53.050 -0.150 0.000 0.864 720 N CB 2.341 40.491 38.487 -0.562 0.000 1.440 720 N HN 1.143 nan 8.380 nan 0.000 0.483 721 A N 1.944 124.816 122.820 0.087 0.000 2.594 721 A HA 0.317 4.637 4.320 -0.000 0.000 0.287 721 A C 0.466 178.182 177.584 0.221 0.000 1.227 721 A CA -0.135 51.994 52.037 0.153 0.000 0.952 721 A CB 0.135 19.158 19.000 0.040 0.000 1.161 721 A HN 0.526 nan 8.150 nan 0.000 0.524 722 S N -0.802 114.995 115.700 0.163 0.000 2.589 722 S HA 0.219 4.689 4.470 -0.000 0.000 0.235 722 S C 0.229 174.859 174.600 0.051 0.000 1.051 722 S CA -0.135 58.150 58.200 0.142 0.000 0.978 722 S CB 0.622 63.907 63.200 0.141 0.000 0.929 722 S HN 0.677 nan 8.310 nan 0.000 0.523 723 E N 1.077 121.283 120.200 0.009 0.000 2.366 723 E HA 0.589 4.939 4.350 -0.000 0.000 0.278 723 E C -1.413 175.104 176.600 -0.139 0.000 0.923 723 E CA -0.701 55.670 56.400 -0.048 0.000 0.761 723 E CB 1.428 31.128 29.700 -0.000 0.000 1.231 723 E HN 0.280 nan 8.360 nan 0.000 0.443 724 M N 0.719 120.178 119.600 -0.235 0.000 2.622 724 M HA 0.550 5.030 4.480 -0.000 0.000 0.276 724 M C -1.773 174.324 176.300 -0.339 0.000 1.265 724 M CA -0.897 54.255 55.300 -0.248 0.000 0.850 724 M CB 1.777 34.349 32.600 -0.047 0.000 1.720 724 M HN 0.351 nan 8.290 nan 0.000 0.465 725 Y N -0.842 119.615 120.300 0.261 0.000 2.468 725 Y HA 0.513 5.062 4.550 -0.000 0.000 0.342 725 Y C -2.148 173.676 175.900 -0.127 0.000 1.021 725 Y CA -2.036 56.131 58.100 0.112 0.000 1.079 725 Y CB 0.932 39.421 38.460 0.048 0.000 1.226 725 Y HN 0.510 nan 8.280 nan 0.000 0.460 726 P HA -0.266 nan 4.420 nan 0.000 0.218 726 P C 1.217 178.363 177.300 -0.257 0.000 1.152 726 P CA 2.311 64.835 63.100 -0.960 0.000 0.857 726 P CB 0.232 31.645 31.700 -0.479 0.000 0.787 727 E N -0.243 119.929 120.200 -0.046 0.000 2.209 727 E HA -0.108 4.242 4.350 -0.000 0.000 0.196 727 E C 0.698 177.263 176.600 -0.059 0.000 0.993 727 E CA 0.514 56.910 56.400 -0.007 0.000 0.819 727 E CB -0.715 28.975 29.700 -0.016 0.000 0.745 727 E HN 0.084 nan 8.360 nan 0.000 0.477 728 A N 1.729 124.542 122.820 -0.011 0.000 2.488 728 A HA 0.073 4.393 4.320 -0.000 0.000 0.249 728 A C 0.862 178.258 177.584 -0.314 0.000 1.083 728 A CA -0.503 51.484 52.037 -0.084 0.000 0.768 728 A CB 0.591 19.612 19.000 0.036 0.000 1.017 728 A HN 0.008 nan 8.150 nan 0.000 0.496 729 K N 2.447 122.588 120.400 -0.431 0.000 2.280 729 K HA -0.110 4.209 4.320 -0.000 0.000 0.202 729 K C 1.841 178.307 176.600 -0.223 0.000 1.047 729 K CA 1.548 57.478 56.287 -0.594 0.000 0.942 729 K CB -0.741 31.565 32.500 -0.323 0.000 0.739 729 K HN 0.772 nan 8.250 nan 0.000 0.457 730 A N 0.796 123.533 122.820 -0.139 0.000 2.119 730 A HA -0.037 4.282 4.320 -0.000 0.000 0.217 730 A C 0.747 178.291 177.584 -0.067 0.000 1.153 730 A CA -0.214 51.769 52.037 -0.090 0.000 0.692 730 A CB -0.546 18.361 19.000 -0.155 0.000 0.799 730 A HN 0.242 nan 8.150 nan 0.000 0.458 731 F N 2.092 121.918 119.950 -0.207 0.000 2.602 731 F HA 0.289 4.816 4.527 -0.000 0.000 0.385 731 F C 0.790 176.221 175.800 -0.615 0.000 1.063 731 F CA 1.050 58.819 58.000 -0.385 0.000 1.233 731 F CB 0.451 39.195 39.000 -0.426 0.000 1.067 731 F HN 0.225 nan 8.300 nan 0.000 0.564 732 S N 3.843 119.104 115.700 -0.731 0.000 2.588 732 S HA 0.296 4.766 4.470 -0.000 0.000 0.269 732 S C 0.243 174.605 174.600 -0.397 0.000 1.157 732 S CA -0.948 56.981 58.200 -0.451 0.000 0.824 732 S CB 1.541 64.656 63.200 -0.142 0.000 1.126 732 S HN 0.581 nan 8.310 nan 0.000 0.464 733 E N 0.968 121.141 120.200 -0.046 0.000 2.110 733 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 733 E C 0.783 177.281 176.600 -0.170 0.000 0.988 733 E CA 1.537 57.950 56.400 0.021 0.000 0.804 733 E CB -0.338 29.464 29.700 0.170 0.000 0.745 733 E HN 0.683 nan 8.360 nan 0.000 0.458 734 D N -0.010 120.226 120.400 -0.274 0.000 2.219 734 D HA -0.086 4.554 4.640 -0.000 0.000 0.205 734 D C 1.791 177.573 176.300 -0.864 0.000 0.970 734 D CA 0.641 54.278 54.000 -0.605 0.000 0.851 734 D CB -0.047 40.326 40.800 -0.712 0.000 0.943 734 D HN 0.114 nan 8.370 nan 0.000 0.488 735 M N 0.304 119.579 119.600 -0.542 0.000 2.349 735 M HA -0.004 4.476 4.480 -0.000 0.000 0.266 735 M C 0.446 176.552 176.300 -0.325 0.000 1.076 735 M CA 0.312 55.408 55.300 -0.340 0.000 1.126 735 M CB -0.069 32.362 32.600 -0.282 0.000 1.392 735 M HN -0.246 nan 8.290 nan 0.000 0.440 736 V N 2.339 122.022 119.914 -0.385 0.000 2.529 736 V HA -0.017 4.103 4.120 -0.000 0.000 0.292 736 V C 0.903 176.895 176.094 -0.171 0.000 1.028 736 V CA -0.007 62.115 62.300 -0.297 0.000 1.074 736 V CB 0.236 31.937 31.823 -0.205 0.000 0.958 736 V HN 0.324 nan 8.190 nan 0.000 0.481 737 R N 6.017 126.441 120.500 -0.127 0.000 2.298 737 R HA 0.351 4.691 4.340 -0.000 0.000 0.310 737 R C -0.127 176.127 176.300 -0.076 0.000 1.068 737 R CA -0.332 55.723 56.100 -0.074 0.000 0.957 737 R CB 0.422 30.693 30.300 -0.048 0.000 1.003 737 R HN 0.682 nan 8.270 nan 0.000 0.454 738 R N 2.548 123.016 120.500 -0.054 0.000 2.732 738 R HA 0.198 4.538 4.340 -0.000 0.000 0.278 738 R C -0.275 176.009 176.300 -0.027 0.000 0.976 738 R CA -0.989 55.082 56.100 -0.049 0.000 0.963 738 R CB 1.356 31.631 30.300 -0.041 0.000 1.150 738 R HN 0.775 nan 8.270 nan 0.000 0.478 739 N N -0.698 117.991 118.700 -0.019 0.000 2.364 739 N HA -0.033 4.707 4.740 -0.000 0.000 0.264 739 N C 0.696 176.207 175.510 0.001 0.000 1.263 739 N CA -0.343 52.706 53.050 -0.001 0.000 0.959 739 N CB 0.370 38.866 38.487 0.014 0.000 1.204 739 N HN 0.499 nan 8.380 nan 0.000 0.550 740 S N -2.181 113.522 115.700 0.006 0.000 2.442 740 S HA -0.103 4.367 4.470 -0.000 0.000 0.236 740 S C 1.684 176.288 174.600 0.007 0.000 1.007 740 S CA 0.516 58.720 58.200 0.006 0.000 0.965 740 S CB -0.946 62.257 63.200 0.006 0.000 0.773 740 S HN 0.762 nan 8.310 nan 0.000 0.504 741 A N 1.061 123.888 122.820 0.011 0.000 2.168 741 A HA 0.484 4.803 4.320 -0.000 0.000 0.215 741 A C 1.932 179.520 177.584 0.007 0.000 1.152 741 A CA 0.823 52.867 52.037 0.012 0.000 0.716 741 A CB -1.238 17.775 19.000 0.022 0.000 0.794 741 A HN 1.538 nan 8.150 nan 0.000 0.465 742 G N -2.253 106.548 108.800 0.001 0.000 2.157 742 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.248 742 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.248 742 G C 0.683 175.573 174.900 -0.015 0.000 0.979 742 G CA 0.370 45.465 45.100 -0.008 0.000 0.650 742 G HN 1.386 nan 8.290 nan 0.000 0.529 743 G N -0.622 108.175 108.800 -0.005 0.000 2.504 743 G HA2 0.616 4.576 3.960 -0.000 0.000 0.288 743 G HA3 0.616 4.576 3.960 -0.000 0.000 0.288 743 G C 0.519 175.375 174.900 -0.073 0.000 1.182 743 G CA -0.856 44.239 45.100 -0.009 0.000 0.894 743 G HN 0.616 nan 8.290 nan 0.000 0.521 744 L N 0.510 121.621 121.223 -0.186 0.000 2.514 744 L HA 0.073 4.412 4.340 -0.000 0.000 0.280 744 L C 1.126 177.784 176.870 -0.352 0.000 1.223 744 L CA 0.048 54.657 54.840 -0.385 0.000 0.864 744 L CB 1.102 42.658 42.059 -0.838 0.000 1.118 744 L HN 0.466 nan 8.230 nan 0.000 0.494 745 S N 2.967 118.529 115.700 -0.229 0.000 2.485 745 S HA 0.268 4.738 4.470 -0.000 0.000 0.312 745 S C -0.391 174.148 174.600 -0.101 0.000 1.102 745 S CA -0.565 57.576 58.200 -0.099 0.000 1.066 745 S CB -0.396 62.778 63.200 -0.044 0.000 1.102 745 S HN 0.252 nan 8.310 nan 0.000 0.519 746 Y N 2.820 123.151 120.300 0.051 0.000 2.411 746 Y HA 0.437 4.987 4.550 -0.000 0.000 0.333 746 Y C 1.423 177.374 175.900 0.084 0.000 1.186 746 Y CA 0.571 58.700 58.100 0.049 0.000 1.381 746 Y CB 0.667 39.156 38.460 0.048 0.000 1.273 746 Y HN 0.699 nan 8.280 nan 0.000 0.546 747 G N 1.823 110.777 108.800 0.256 0.000 3.075 747 G HA2 0.062 4.022 3.960 -0.000 0.000 0.156 747 G HA3 0.062 4.022 3.960 -0.000 0.000 0.156 747 G C -1.303 173.832 174.900 0.391 0.000 1.403 747 G CA -0.750 44.517 45.100 0.280 0.000 1.033 747 G HN 0.715 nan 8.290 nan 0.000 0.589 748 W N 1.219 122.641 121.300 0.204 0.000 2.438 748 W HA 0.513 5.173 4.660 -0.000 0.000 0.324 748 W C -0.932 175.761 176.519 0.290 0.000 1.119 748 W CA -0.747 56.739 57.345 0.234 0.000 1.221 748 W CB 1.480 31.080 29.460 0.233 0.000 1.253 748 W HN 0.389 nan 8.180 nan 0.000 0.555 749 N N 5.400 123.928 118.700 -0.287 0.000 2.419 749 N HA 0.229 4.968 4.740 -0.000 0.000 0.277 749 N C -0.127 175.145 175.510 -0.397 0.000 1.006 749 N CA -0.250 52.658 53.050 -0.237 0.000 0.923 749 N CB 1.024 39.410 38.487 -0.169 0.000 1.140 749 N HN 0.676 nan 8.380 nan 0.000 0.488 750 W N 3.818 124.942 121.300 -0.293 0.000 4.729 750 W HA 0.148 4.808 4.660 -0.000 0.000 0.165 750 W C 0.191 176.668 176.519 -0.069 0.000 3.407 750 W CA -0.068 57.176 57.345 -0.169 0.000 1.489 750 W CB -0.096 29.395 29.460 0.053 0.000 1.856 750 W HN 0.400 nan 8.180 nan 0.000 0.641 751 L N 0.834 122.076 121.223 0.032 0.000 2.131 751 L HA 0.091 4.431 4.340 -0.000 0.000 0.206 751 L C 0.197 176.998 176.870 -0.115 0.000 1.087 751 L CA 1.322 56.014 54.840 -0.248 0.000 0.767 751 L CB -0.449 41.188 42.059 -0.703 0.000 0.917 751 L HN -0.156 nan 8.230 nan 0.000 0.441 752 D N -2.049 118.308 120.400 -0.072 0.000 2.626 752 D HA 0.167 4.806 4.640 -0.000 0.000 0.278 752 D C -1.198 175.193 176.300 0.153 0.000 1.211 752 D CA -0.530 53.505 54.000 0.059 0.000 0.903 752 D CB 1.752 42.574 40.800 0.037 0.000 1.408 752 D HN -0.256 nan 8.370 nan 0.000 0.454 753 Q N 0.625 120.553 119.800 0.212 0.000 2.314 753 Q HA 0.482 4.821 4.340 -0.000 0.000 0.257 753 Q C -0.231 175.910 176.000 0.234 0.000 0.975 753 Q CA -0.266 55.614 55.803 0.129 0.000 0.933 753 Q CB 0.960 29.595 28.738 -0.172 0.000 1.195 753 Q HN 0.525 nan 8.270 nan 0.000 0.426 754 G N 2.218 111.223 108.800 0.341 0.000 2.467 754 G HA2 0.506 4.465 3.960 -0.000 0.000 0.257 754 G HA3 0.506 4.465 3.960 -0.000 0.000 0.257 754 G C -1.056 173.913 174.900 0.115 0.000 1.227 754 G CA -0.398 44.830 45.100 0.213 0.000 0.835 754 G HN 0.540 nan 8.290 nan 0.000 0.556 755 V N 0.898 120.843 119.914 0.052 0.000 2.709 755 V HA 0.637 4.757 4.120 -0.000 0.000 0.308 755 V C 0.929 177.005 176.094 -0.031 0.000 1.062 755 V CA -0.523 61.795 62.300 0.030 0.000 0.901 755 V CB 1.678 33.575 31.823 0.123 0.000 1.003 755 V HN 1.061 nan 8.190 nan 0.000 0.425 756 G N 3.666 112.444 108.800 -0.037 0.000 2.414 756 G HA2 0.391 4.351 3.960 -0.000 0.000 0.236 756 G HA3 0.391 4.351 3.960 -0.000 0.000 0.236 756 G C -0.372 174.481 174.900 -0.078 0.000 1.293 756 G CA -0.137 44.941 45.100 -0.037 0.000 0.869 756 G HN 0.612 nan 8.290 nan 0.000 0.556 757 I N 1.283 121.825 120.570 -0.046 0.000 2.396 757 I HA 0.067 4.237 4.170 -0.000 0.000 0.292 757 I C 0.112 176.232 176.117 0.005 0.000 0.999 757 I CA -0.618 60.655 61.300 -0.045 0.000 1.310 757 I CB 1.627 39.625 38.000 -0.002 0.000 1.404 757 I HN 0.347 nan 8.210 nan 0.000 0.496 758 D N 5.618 126.022 120.400 0.008 0.000 2.398 758 D HA 0.033 4.673 4.640 -0.000 0.000 0.250 758 D C 1.201 177.579 176.300 0.131 0.000 1.287 758 D CA 0.163 54.202 54.000 0.064 0.000 0.992 758 D CB 1.125 41.960 40.800 0.059 0.000 1.071 758 D HN 0.755 nan 8.370 nan 0.000 0.514 759 G N 4.175 113.049 108.800 0.123 0.000 2.442 759 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.219 759 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.219 759 G C 1.553 176.532 174.900 0.132 0.000 1.141 759 G CA 0.196 45.406 45.100 0.184 0.000 0.763 759 G HN 0.540 nan 8.290 nan 0.000 0.554 760 I N -0.228 120.404 120.570 0.104 0.000 2.286 760 I HA -0.078 4.092 4.170 -0.000 0.000 0.245 760 I C 2.393 178.440 176.117 -0.116 0.000 1.104 760 I CA 0.750 62.072 61.300 0.037 0.000 1.397 760 I CB -1.210 36.839 38.000 0.082 0.000 1.072 760 I HN 0.326 nan 8.210 nan 0.000 0.417 761 Y N 2.179 122.406 120.300 -0.120 0.000 2.128 761 Y HA -0.311 4.239 4.550 -0.000 0.000 0.284 761 Y C 2.358 178.162 175.900 -0.161 0.000 1.154 761 Y CA 2.165 60.165 58.100 -0.166 0.000 1.149 761 Y CB -0.396 38.053 38.460 -0.018 0.000 0.976 761 Y HN 0.169 nan 8.280 nan 0.000 0.505 762 D N 0.037 120.346 120.400 -0.153 0.000 2.117 762 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 762 D C 2.097 178.227 176.300 -0.282 0.000 0.987 762 D CA 1.375 55.247 54.000 -0.213 0.000 0.829 762 D CB -0.364 40.434 40.800 -0.004 0.000 0.961 762 D HN 0.436 nan 8.370 nan 0.000 0.460 763 L N 0.498 121.586 121.223 -0.225 0.000 1.988 763 L HA 0.038 4.378 4.340 -0.000 0.000 0.207 763 L C 2.150 178.827 176.870 -0.322 0.000 1.071 763 L CA 2.354 57.051 54.840 -0.238 0.000 0.744 763 L CB -1.008 40.935 42.059 -0.193 0.000 0.893 763 L HN 0.003 nan 8.230 nan 0.000 0.433 764 A N -0.961 121.591 122.820 -0.447 0.000 2.015 764 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 764 A C 2.352 179.683 177.584 -0.421 0.000 1.163 764 A CA 1.569 53.299 52.037 -0.512 0.000 0.646 764 A CB -0.973 17.405 19.000 -1.037 0.000 0.806 764 A HN 0.679 nan 8.150 nan 0.000 0.448 765 S N -2.017 113.356 115.700 -0.544 0.000 2.527 765 S HA 0.340 4.810 4.470 -0.000 0.000 0.222 765 S C 1.519 175.960 174.600 -0.265 0.000 0.985 765 S CA 1.107 59.060 58.200 -0.412 0.000 0.921 765 S CB -0.318 62.384 63.200 -0.830 0.000 0.772 765 S HN 1.862 nan 8.310 nan 0.000 0.529 766 G N 0.633 109.278 108.800 -0.257 0.000 2.159 766 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.256 766 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.256 766 G C 0.952 175.767 174.900 -0.143 0.000 0.977 766 G CA 0.539 45.542 45.100 -0.161 0.000 0.652 766 G HN 0.545 nan 8.290 nan 0.000 0.531 767 S N -0.447 115.125 115.700 -0.212 0.000 2.348 767 S HA -0.057 4.413 4.470 -0.000 0.000 0.221 767 S C 2.235 176.768 174.600 -0.113 0.000 1.033 767 S CA 1.562 59.673 58.200 -0.148 0.000 1.010 767 S CB -0.205 62.897 63.200 -0.164 0.000 0.891 767 S HN 0.601 nan 8.310 nan 0.000 0.442 768 R N 0.591 121.020 120.500 -0.117 0.000 2.081 768 R HA -0.060 4.280 4.340 -0.000 0.000 0.235 768 R C 2.289 178.597 176.300 0.014 0.000 1.131 768 R CA 1.352 57.404 56.100 -0.080 0.000 0.960 768 R CB -0.622 29.649 30.300 -0.048 0.000 0.856 768 R HN 0.314 nan 8.270 nan 0.000 0.436 769 V N 0.159 120.111 119.914 0.063 0.000 2.490 769 V HA -0.196 3.924 4.120 -0.000 0.000 0.250 769 V C 2.159 178.333 176.094 0.133 0.000 1.061 769 V CA 2.287 64.683 62.300 0.160 0.000 1.064 769 V CB -0.011 31.840 31.823 0.046 0.000 0.670 769 V HN 0.429 nan 8.190 nan 0.000 0.461 770 S N -0.525 115.202 115.700 0.046 0.000 2.383 770 S HA -0.134 4.336 4.470 -0.000 0.000 0.227 770 S C 2.063 176.697 174.600 0.057 0.000 1.026 770 S CA 1.368 59.590 58.200 0.037 0.000 0.981 770 S CB -0.263 62.934 63.200 -0.005 0.000 0.818 770 S HN 0.686 nan 8.310 nan 0.000 0.472 771 R N -0.639 119.867 120.500 0.010 0.000 2.090 771 R HA 0.021 4.361 4.340 -0.000 0.000 0.228 771 R C 1.847 178.285 176.300 0.230 0.000 1.110 771 R CA 1.268 57.361 56.100 -0.012 0.000 0.973 771 R CB -0.446 29.653 30.300 -0.336 0.000 0.869 771 R HN 0.411 nan 8.270 nan 0.000 0.440 772 F N 1.052 121.221 119.950 0.365 0.000 2.234 772 F HA -0.075 4.452 4.527 -0.000 0.000 0.299 772 F C 2.547 178.529 175.800 0.303 0.000 1.087 772 F CA 1.011 59.242 58.000 0.384 0.000 1.340 772 F CB -0.657 38.518 39.000 0.291 0.000 1.031 772 F HN 0.041 nan 8.300 nan 0.000 0.500 773 A N -0.086 122.932 122.820 0.329 0.000 1.933 773 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 773 A C 2.040 179.739 177.584 0.191 0.000 1.175 773 A CA 1.884 54.033 52.037 0.186 0.000 0.628 773 A CB -0.770 18.288 19.000 0.096 0.000 0.814 773 A HN 0.254 nan 8.150 nan 0.000 0.444 774 D N -0.287 120.224 120.400 0.185 0.000 2.104 774 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 774 D C 1.831 178.259 176.300 0.214 0.000 0.994 774 D CA 1.509 55.604 54.000 0.158 0.000 0.830 774 D CB -0.461 40.408 40.800 0.115 0.000 0.959 774 D HN 0.375 nan 8.370 nan 0.000 0.452 775 L N 0.616 122.030 121.223 0.317 0.000 2.056 775 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 775 L C 2.263 179.362 176.870 0.382 0.000 1.078 775 L CA 1.577 56.621 54.840 0.340 0.000 0.749 775 L CB -0.892 41.393 42.059 0.377 0.000 0.901 775 L HN -0.103 nan 8.230 nan 0.000 0.433 776 S N -0.811 115.177 115.700 0.479 0.000 2.383 776 S HA -0.230 4.239 4.470 -0.000 0.000 0.229 776 S C 2.062 176.777 174.600 0.191 0.000 1.030 776 S CA 1.472 59.886 58.200 0.357 0.000 1.002 776 S CB -0.258 63.002 63.200 0.099 0.000 0.829 776 S HN 0.548 nan 8.310 nan 0.000 0.467 777 K N 0.263 120.755 120.400 0.153 0.000 2.147 777 K HA -0.039 4.281 4.320 -0.000 0.000 0.205 777 K C 2.107 178.766 176.600 0.097 0.000 1.049 777 K CA 1.206 57.553 56.287 0.100 0.000 0.936 777 K CB -0.050 32.500 32.500 0.084 0.000 0.722 777 K HN 0.411 nan 8.250 nan 0.000 0.446 778 E N 0.185 120.458 120.200 0.121 0.000 2.076 778 E HA -0.101 4.248 4.350 -0.000 0.000 0.190 778 E C 2.082 178.724 176.600 0.070 0.000 0.979 778 E CA 1.283 57.740 56.400 0.094 0.000 0.807 778 E CB 0.056 29.822 29.700 0.110 0.000 0.761 778 E HN 0.260 nan 8.360 nan 0.000 0.454 779 V N -2.771 117.204 119.914 0.102 0.000 3.590 779 V HA 0.369 4.489 4.120 -0.000 0.000 0.265 779 V C 1.368 177.522 176.094 0.100 0.000 1.239 779 V CA 0.748 63.092 62.300 0.073 0.000 1.117 779 V CB -0.300 31.559 31.823 0.061 0.000 0.818 779 V HN 0.227 nan 8.190 nan 0.000 0.451 780 G N 1.715 110.584 108.800 0.115 0.000 2.622 780 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.307 780 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.307 780 G C 0.316 175.274 174.900 0.097 0.000 1.226 780 G CA 0.760 45.907 45.100 0.079 0.000 0.997 780 G HN 0.518 nan 8.290 nan 0.000 0.551 781 D N 1.618 122.059 120.400 0.068 0.000 2.388 781 D HA 0.131 4.771 4.640 -0.000 0.000 0.221 781 D C 1.639 178.000 176.300 0.101 0.000 1.133 781 D CA -0.125 53.920 54.000 0.076 0.000 0.831 781 D CB 0.008 40.831 40.800 0.038 0.000 0.962 781 D HN 0.251 nan 8.370 nan 0.000 0.502 782 N N 0.425 119.182 118.700 0.096 0.000 2.376 782 N HA 0.008 4.748 4.740 -0.000 0.000 0.177 782 N C 0.773 176.333 175.510 0.083 0.000 1.024 782 N CA 0.193 53.282 53.050 0.066 0.000 0.893 782 N CB 0.506 38.997 38.487 0.007 0.000 0.980 782 N HN 0.279 nan 8.380 nan 0.000 0.439 783 M N 0.565 120.234 119.600 0.114 0.000 2.216 783 M HA 0.019 4.499 4.480 -0.000 0.000 0.356 783 M C 0.728 177.111 176.300 0.137 0.000 1.205 783 M CA -0.083 55.233 55.300 0.027 0.000 1.122 783 M CB 1.293 33.786 32.600 -0.178 0.000 1.571 783 M HN -0.108 nan 8.290 nan 0.000 0.464 784 D N 3.247 123.695 120.400 0.079 0.000 2.149 784 D HA 0.048 4.688 4.640 -0.000 0.000 0.206 784 D C -0.361 176.102 176.300 0.272 0.000 0.967 784 D CA 1.305 55.419 54.000 0.189 0.000 0.848 784 D CB 0.286 41.208 40.800 0.203 0.000 0.998 784 D HN 0.453 nan 8.370 nan 0.000 0.474 785 F N -1.390 118.520 119.950 -0.067 0.000 2.662 785 F HA 0.537 5.063 4.527 -0.000 0.000 0.312 785 F C -1.208 174.461 175.800 -0.218 0.000 1.113 785 F CA -1.464 56.500 58.000 -0.060 0.000 0.951 785 F CB 0.974 39.948 39.000 -0.042 0.000 1.344 785 F HN -0.344 nan 8.300 nan 0.000 0.462 786 I N 2.324 122.887 120.570 -0.012 0.000 2.412 786 I HA 0.244 4.414 4.170 -0.000 0.000 0.296 786 I C -1.300 174.901 176.117 0.139 0.000 0.987 786 I CA -0.781 60.412 61.300 -0.178 0.000 1.180 786 I CB 1.654 39.516 38.000 -0.231 0.000 1.340 786 I HN 0.798 nan 8.210 nan 0.000 0.455 787 Y N 7.285 127.559 120.300 -0.044 0.000 2.417 787 Y HA 0.433 4.982 4.550 -0.000 0.000 0.336 787 Y C -0.842 174.973 175.900 -0.141 0.000 0.961 787 Y CA -0.883 57.225 58.100 0.013 0.000 1.215 787 Y CB 1.172 39.664 38.460 0.052 0.000 1.120 787 Y HN 0.438 nan 8.280 nan 0.000 0.499 788 L N 7.006 127.836 121.223 -0.655 0.000 2.261 788 L HA 0.332 4.672 4.340 -0.000 0.000 0.289 788 L C -0.409 175.904 176.870 -0.929 0.000 1.059 788 L CA -0.046 54.425 54.840 -0.615 0.000 0.816 788 L CB 0.040 41.883 42.059 -0.360 0.000 1.191 788 L HN 0.676 nan 8.230 nan 0.000 0.431 789 D N 2.763 122.632 120.400 -0.885 0.000 2.362 789 D HA 0.233 4.872 4.640 -0.000 0.000 0.242 789 D C 1.362 177.452 176.300 -0.349 0.000 1.132 789 D CA 1.005 54.597 54.000 -0.681 0.000 0.907 789 D CB 1.021 41.558 40.800 -0.439 0.000 1.195 789 D HN 0.705 nan 8.370 nan 0.000 0.429 790 V N 0.092 119.757 119.914 -0.414 0.000 1.531 790 V HA -0.261 3.859 4.120 -0.000 0.000 0.035 790 V C 0.638 176.842 176.094 0.184 0.000 1.135 790 V CA 1.626 63.840 62.300 -0.143 0.000 1.980 790 V CB -2.259 29.602 31.823 0.064 0.000 1.692 790 V HN 0.755 nan 8.190 nan 0.000 0.821 791 W N 3.229 124.475 121.300 -0.090 0.000 2.476 791 W HA 0.394 5.053 4.660 -0.000 0.000 0.338 791 W C 1.250 177.865 176.519 0.160 0.000 1.328 791 W CA 2.082 59.434 57.345 0.011 0.000 1.300 791 W CB 0.097 29.519 29.460 -0.064 0.000 1.252 791 W HN 1.419 nan 8.180 nan 0.000 0.568 792 G N 3.126 111.651 108.800 -0.458 0.000 2.284 792 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.201 792 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.201 792 G C 0.804 175.514 174.900 -0.318 0.000 0.998 792 G CA 0.195 45.094 45.100 -0.335 0.000 0.651 792 G HN 0.713 nan 8.290 nan 0.000 0.489 793 N N 0.908 119.496 118.700 -0.187 0.000 2.383 793 N HA 0.391 5.131 4.740 -0.000 0.000 0.192 793 N C 1.376 176.758 175.510 -0.214 0.000 1.141 793 N CA 0.271 53.175 53.050 -0.242 0.000 0.851 793 N CB 0.090 38.516 38.487 -0.102 0.000 0.976 793 N HN 0.702 nan 8.380 nan 0.000 0.465 794 L N -1.137 119.930 121.223 -0.260 0.000 4.613 794 L HA -0.235 4.104 4.340 -0.000 0.000 0.409 794 L C 0.708 177.490 176.870 -0.146 0.000 1.100 794 L CA 0.536 55.242 54.840 -0.223 0.000 1.029 794 L CB -2.611 39.338 42.059 -0.183 0.000 2.137 794 L HN 0.290 nan 8.230 nan 0.000 0.713 795 T N -0.973 113.509 114.554 -0.120 0.000 2.904 795 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 795 T C 1.709 176.381 174.700 -0.046 0.000 1.059 795 T CA 1.860 63.931 62.100 -0.048 0.000 1.137 795 T CB 0.020 68.890 68.868 0.005 0.000 0.879 795 T HN 0.752 nan 8.240 nan 0.000 0.467 796 S N 0.568 116.215 115.700 -0.087 0.000 2.458 796 S HA 0.206 4.675 4.470 -0.000 0.000 0.223 796 S C 0.914 175.492 174.600 -0.036 0.000 1.019 796 S CA 0.386 58.569 58.200 -0.028 0.000 0.937 796 S CB 0.055 63.292 63.200 0.062 0.000 0.788 796 S HN 0.528 nan 8.310 nan 0.000 0.511 797 S N -1.646 113.998 115.700 -0.094 0.000 2.656 797 S HA 0.583 5.053 4.470 -0.000 0.000 0.265 797 S C 0.535 175.075 174.600 -0.100 0.000 1.132 797 S CA -0.333 57.829 58.200 -0.062 0.000 0.819 797 S CB 0.491 63.678 63.200 -0.022 0.000 1.119 797 S HN 0.437 nan 8.310 nan 0.000 0.476 798 G N 0.043 108.800 108.800 -0.071 0.000 3.026 798 G HA2 0.289 4.249 3.960 -0.000 0.000 0.208 798 G HA3 0.289 4.249 3.960 -0.000 0.000 0.208 798 G C 0.858 175.701 174.900 -0.095 0.000 1.169 798 G CA 0.791 45.841 45.100 -0.082 0.000 0.788 798 G HN 0.761 nan 8.290 nan 0.000 0.533 799 S N 0.040 115.682 115.700 -0.097 0.000 2.826 799 S HA 0.128 4.598 4.470 -0.000 0.000 0.193 799 S C 0.973 175.489 174.600 -0.140 0.000 0.838 799 S CA 0.636 58.788 58.200 -0.081 0.000 0.844 799 S CB -0.065 63.125 63.200 -0.018 0.000 0.816 799 S HN 0.366 nan 8.310 nan 0.000 0.626 800 E N 2.281 122.389 120.200 -0.152 0.000 2.328 800 E HA -0.195 4.155 4.350 -0.000 0.000 0.233 800 E C -0.889 175.679 176.600 -0.052 0.000 1.219 800 E CA 0.584 56.815 56.400 -0.282 0.000 0.717 800 E CB -1.641 27.526 29.700 -0.888 0.000 1.210 800 E HN 0.724 nan 8.360 nan 0.000 0.381 801 D N -1.475 118.979 120.400 0.089 0.000 2.414 801 D HA 0.172 4.811 4.640 -0.000 0.000 0.259 801 D C 0.874 177.290 176.300 0.194 0.000 1.269 801 D CA -0.217 53.847 54.000 0.106 0.000 1.028 801 D CB 0.278 41.145 40.800 0.113 0.000 1.093 801 D HN -0.124 nan 8.370 nan 0.000 0.545 802 S N -1.524 114.278 115.700 0.169 0.000 2.399 802 S HA -0.093 4.377 4.470 -0.000 0.000 0.231 802 S C 1.290 176.018 174.600 0.214 0.000 1.022 802 S CA 0.768 59.070 58.200 0.171 0.000 0.983 802 S CB -0.614 62.657 63.200 0.118 0.000 0.803 802 S HN 0.623 nan 8.310 nan 0.000 0.480 803 W N 2.498 123.843 121.300 0.074 0.000 2.354 803 W HA -0.119 4.541 4.660 -0.000 0.000 0.315 803 W C 1.953 178.482 176.519 0.016 0.000 1.206 803 W CA 1.453 58.818 57.345 0.033 0.000 1.290 803 W CB -0.418 28.989 29.460 -0.088 0.000 1.152 803 W HN 0.268 nan 8.180 nan 0.000 0.489 804 E N -0.764 119.563 120.200 0.212 0.000 2.085 804 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 804 E C 2.024 178.640 176.600 0.026 0.000 0.994 804 E CA 2.069 58.495 56.400 0.044 0.000 0.801 804 E CB -0.508 29.426 29.700 0.390 0.000 0.743 804 E HN 0.248 nan 8.360 nan 0.000 0.453 805 T N 0.646 115.317 114.554 0.194 0.000 2.821 805 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 805 T C 1.831 176.506 174.700 -0.043 0.000 1.046 805 T CA 1.171 63.351 62.100 0.134 0.000 1.139 805 T CB -0.097 68.950 68.868 0.299 0.000 0.871 805 T HN -0.011 nan 8.240 nan 0.000 0.454 806 R N 1.391 121.858 120.500 -0.056 0.000 2.092 806 R HA 0.062 4.401 4.340 -0.000 0.000 0.231 806 R C 2.210 178.399 176.300 -0.184 0.000 1.119 806 R CA 1.426 57.465 56.100 -0.103 0.000 0.970 806 R CB -0.123 30.100 30.300 -0.128 0.000 0.864 806 R HN 0.290 nan 8.270 nan 0.000 0.440 807 K N -0.696 119.523 120.400 -0.302 0.000 2.103 807 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 807 K C 1.961 178.392 176.600 -0.282 0.000 1.052 807 K CA 1.521 57.602 56.287 -0.343 0.000 0.945 807 K CB -0.169 32.014 32.500 -0.529 0.000 0.722 807 K HN 0.116 nan 8.250 nan 0.000 0.443 808 M N 1.095 120.513 119.600 -0.303 0.000 2.065 808 M HA -0.161 4.319 4.480 -0.000 0.000 0.259 808 M C 1.905 178.029 176.300 -0.294 0.000 1.069 808 M CA 1.841 56.936 55.300 -0.342 0.000 1.110 808 M CB -0.179 32.068 32.600 -0.588 0.000 1.328 808 M HN -0.096 nan 8.290 nan 0.000 0.405 809 S N 0.046 115.610 115.700 -0.227 0.000 2.382 809 S HA -0.157 4.313 4.470 -0.000 0.000 0.228 809 S C 1.898 176.399 174.600 -0.165 0.000 1.027 809 S CA 1.548 59.653 58.200 -0.158 0.000 0.991 809 S CB -0.469 62.704 63.200 -0.046 0.000 0.823 809 S HN 0.548 nan 8.310 nan 0.000 0.469 810 K N 1.685 121.985 120.400 -0.167 0.000 2.057 810 K HA -0.096 4.223 4.320 -0.000 0.000 0.206 810 K C 2.349 178.809 176.600 -0.235 0.000 1.050 810 K CA 1.477 57.658 56.287 -0.175 0.000 0.935 810 K CB -0.283 32.127 32.500 -0.151 0.000 0.715 810 K HN 0.517 nan 8.250 nan 0.000 0.439 811 M N -0.524 118.931 119.600 -0.243 0.000 2.213 811 M HA -0.089 4.390 4.480 -0.000 0.000 0.263 811 M C 1.776 177.835 176.300 -0.403 0.000 1.062 811 M CA 1.520 56.667 55.300 -0.255 0.000 1.105 811 M CB -0.438 32.085 32.600 -0.128 0.000 1.385 811 M HN 0.035 nan 8.290 nan 0.000 0.417 812 I N 1.432 121.723 120.570 -0.465 0.000 2.193 812 I HA -0.209 3.961 4.170 -0.000 0.000 0.240 812 I C 2.078 178.020 176.117 -0.292 0.000 1.084 812 I CA 1.056 62.112 61.300 -0.406 0.000 1.365 812 I CB -0.629 37.154 38.000 -0.361 0.000 1.064 812 I HN 0.358 nan 8.210 nan 0.000 0.410 813 N N 0.828 119.360 118.700 -0.280 0.000 2.223 813 N HA -0.181 4.559 4.740 -0.000 0.000 0.185 813 N C 1.316 176.452 175.510 -0.623 0.000 1.016 813 N CA 1.224 54.018 53.050 -0.426 0.000 0.863 813 N CB -0.477 37.767 38.487 -0.404 0.000 0.983 813 N HN 0.298 nan 8.380 nan 0.000 0.429 814 D N 0.503 120.615 120.400 -0.480 0.000 2.263 814 D HA -0.050 4.590 4.640 -0.000 0.000 0.208 814 D C 0.764 176.760 176.300 -0.507 0.000 0.971 814 D CA 0.682 54.423 54.000 -0.432 0.000 0.867 814 D CB -0.216 40.396 40.800 -0.313 0.000 0.929 814 D HN 0.196 nan 8.370 nan 0.000 0.492 815 N N -0.334 117.927 118.700 -0.733 0.000 2.314 815 N HA 0.110 4.849 4.740 -0.000 0.000 0.200 815 N C 1.007 175.883 175.510 -1.057 0.000 1.135 815 N CA 0.604 53.022 53.050 -1.054 0.000 0.835 815 N CB 0.997 38.353 38.487 -1.884 0.000 0.989 815 N HN 0.169 nan 8.380 nan 0.000 0.478 816 G N -0.035 108.387 108.800 -0.631 0.000 2.136 816 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.242 816 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.242 816 G C -0.667 174.321 174.900 0.147 0.000 0.989 816 G CA -0.370 44.616 45.100 -0.190 0.000 0.682 816 G HN 0.181 nan 8.290 nan 0.000 0.522 817 W N 0.657 122.019 121.300 0.104 0.000 2.478 817 W HA 0.653 5.313 4.660 -0.000 0.000 0.318 817 W C 0.727 177.387 176.519 0.235 0.000 1.062 817 W CA -2.074 55.341 57.345 0.117 0.000 1.210 817 W CB 0.683 30.112 29.460 -0.052 0.000 1.325 817 W HN 0.239 nan 8.180 nan 0.000 0.496 818 R N 2.771 123.548 120.500 0.462 0.000 2.623 818 R HA 0.212 4.551 4.340 -0.000 0.000 0.271 818 R C -0.033 176.435 176.300 0.280 0.000 1.043 818 R CA -0.274 56.021 56.100 0.324 0.000 1.083 818 R CB 0.549 30.951 30.300 0.170 0.000 0.974 818 R HN 0.378 nan 8.270 nan 0.000 0.436 819 M N 3.440 123.163 119.600 0.204 0.000 2.264 819 M HA 0.256 4.736 4.480 -0.000 0.000 0.352 819 M C -1.015 175.372 176.300 0.146 0.000 1.173 819 M CA 0.236 55.618 55.300 0.138 0.000 1.075 819 M CB 1.638 34.289 32.600 0.085 0.000 1.621 819 M HN 0.763 nan 8.290 nan 0.000 0.457 820 T N 0.779 115.429 114.554 0.159 0.000 2.868 820 T HA 0.839 5.189 4.350 -0.000 0.000 0.306 820 T C -0.620 174.163 174.700 0.138 0.000 1.224 820 T CA -0.712 61.529 62.100 0.236 0.000 1.012 820 T CB 1.770 70.847 68.868 0.349 0.000 1.221 820 T HN 0.769 nan 8.240 nan 0.000 0.499 821 T N -0.726 113.921 114.554 0.155 0.000 2.739 821 T HA 0.407 4.756 4.350 -0.000 0.000 0.303 821 T C 0.423 175.093 174.700 -0.049 0.000 1.389 821 T CA -0.253 61.745 62.100 -0.169 0.000 1.001 821 T CB 2.057 70.850 68.868 -0.125 0.000 1.436 821 T HN 0.868 nan 8.240 nan 0.000 0.500 822 E N 0.241 120.233 120.200 -0.347 0.000 2.008 822 E HA 0.036 4.385 4.350 -0.000 0.000 0.191 822 E C -0.371 176.038 176.600 -0.319 0.000 0.986 822 E CA 0.675 56.875 56.400 -0.334 0.000 0.807 822 E CB 0.072 29.174 29.700 -0.997 0.000 0.766 822 E HN 0.574 nan 8.360 nan 0.000 0.450 823 W N -0.089 121.124 121.300 -0.146 0.000 2.251 823 W HA 0.307 4.967 4.660 -0.000 0.000 0.329 823 W C 1.371 177.845 176.519 -0.075 0.000 1.234 823 W CA -0.520 56.700 57.345 -0.208 0.000 1.228 823 W CB 0.751 30.054 29.460 -0.261 0.000 1.135 823 W HN 0.169 nan 8.180 nan 0.000 0.576 824 G N 0.400 109.355 108.800 0.259 0.000 2.442 824 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.219 824 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.219 824 G C 1.457 176.389 174.900 0.053 0.000 1.141 824 G CA 1.373 46.547 45.100 0.122 0.000 0.763 824 G HN 0.512 nan 8.290 nan 0.000 0.554 825 S N -0.010 115.732 115.700 0.070 0.000 2.524 825 S HA 0.361 4.831 4.470 -0.000 0.000 0.216 825 S C 1.411 176.033 174.600 0.037 0.000 0.987 825 S CA 0.295 58.514 58.200 0.031 0.000 0.909 825 S CB 0.123 63.317 63.200 -0.009 0.000 0.781 825 S HN 0.470 nan 8.310 nan 0.000 0.521 826 G N 1.492 110.340 108.800 0.079 0.000 2.544 826 G HA2 0.301 4.261 3.960 -0.000 0.000 0.242 826 G HA3 0.301 4.261 3.960 -0.000 0.000 0.242 826 G C 0.142 175.097 174.900 0.092 0.000 1.247 826 G CA -0.389 44.773 45.100 0.103 0.000 0.840 826 G HN 0.352 nan 8.290 nan 0.000 0.578 827 N N -0.233 118.542 118.700 0.124 0.000 2.696 827 N HA -0.162 4.578 4.740 -0.000 0.000 0.256 827 N C 1.263 176.855 175.510 0.138 0.000 1.031 827 N CA 0.892 54.027 53.050 0.141 0.000 0.730 827 N CB -0.467 38.093 38.487 0.122 0.000 0.894 827 N HN 0.779 nan 8.380 nan 0.000 0.544 828 E N -0.450 119.842 120.200 0.153 0.000 2.160 828 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 828 E C 1.192 177.933 176.600 0.235 0.000 0.991 828 E CA 1.193 57.698 56.400 0.176 0.000 0.810 828 E CB -0.125 29.694 29.700 0.198 0.000 0.742 828 E HN 0.744 nan 8.360 nan 0.000 0.466 829 Y N 0.874 121.255 120.300 0.136 0.000 2.220 829 Y HA -0.143 4.407 4.550 -0.000 0.000 0.291 829 Y C 1.690 177.684 175.900 0.156 0.000 1.129 829 Y CA 1.945 60.146 58.100 0.168 0.000 1.161 829 Y CB 0.398 38.950 38.460 0.153 0.000 0.997 829 Y HN 0.016 nan 8.280 nan 0.000 0.522 830 D N -1.969 118.585 120.400 0.257 0.000 2.498 830 D HA 0.080 4.720 4.640 -0.000 0.000 0.223 830 D C 0.148 176.517 176.300 0.115 0.000 1.125 830 D CA 0.184 54.292 54.000 0.180 0.000 0.835 830 D CB 0.312 41.230 40.800 0.198 0.000 1.086 830 D HN 0.026 nan 8.370 nan 0.000 0.510 831 S N 0.482 116.238 115.700 0.094 0.000 2.565 831 S HA 0.228 4.698 4.470 -0.000 0.000 0.274 831 S C 1.229 175.856 174.600 0.045 0.000 1.309 831 S CA -0.178 58.064 58.200 0.069 0.000 1.043 831 S CB 1.091 64.320 63.200 0.048 0.000 0.939 831 S HN 0.176 nan 8.310 nan 0.000 0.504 832 T N 1.890 116.487 114.554 0.072 0.000 3.054 832 T HA 0.361 4.710 4.350 -0.000 0.000 0.255 832 T C -0.230 174.533 174.700 0.106 0.000 1.035 832 T CA -0.363 61.774 62.100 0.062 0.000 0.941 832 T CB -0.506 68.404 68.868 0.070 0.000 1.026 832 T HN 0.536 nan 8.240 nan 0.000 0.533 833 F N 1.587 121.460 119.950 -0.128 0.000 2.654 833 F HA 0.484 5.011 4.527 -0.000 0.000 0.314 833 F C -2.202 173.493 175.800 -0.176 0.000 1.116 833 F CA -0.784 57.070 58.000 -0.244 0.000 1.017 833 F CB 1.415 40.176 39.000 -0.398 0.000 1.285 833 F HN -0.140 nan 8.300 nan 0.000 0.448 834 Q N 4.938 124.260 119.800 -0.796 0.000 2.340 834 Q HA 0.212 4.552 4.340 -0.000 0.000 0.268 834 Q C -0.025 175.452 176.000 -0.873 0.000 1.031 834 Q CA -0.738 54.754 55.803 -0.519 0.000 0.804 834 Q CB 1.674 30.266 28.738 -0.243 0.000 1.286 834 Q HN 0.932 nan 8.270 nan 0.000 0.448 835 H N 2.028 120.827 119.070 -0.451 0.000 2.387 835 H HA -0.083 4.473 4.556 -0.000 0.000 0.299 835 H C 0.340 175.701 175.328 0.054 0.000 1.090 835 H CA 1.503 57.410 56.048 -0.235 0.000 1.332 835 H CB 0.326 30.250 29.762 0.270 0.000 1.386 835 H HN 0.577 nan 8.280 nan 0.000 0.516 836 W N -0.132 121.117 121.300 -0.085 0.000 3.256 836 W HA 0.394 5.054 4.660 -0.000 0.000 0.269 836 W C 2.083 178.553 176.519 -0.081 0.000 1.310 836 W CA 0.672 58.020 57.345 0.005 0.000 1.673 836 W CB -0.329 29.225 29.460 0.158 0.000 1.115 836 W HN 0.306 nan 8.180 nan 0.000 0.686 837 A N -0.375 122.423 122.820 -0.037 0.000 1.920 837 A HA 0.337 4.656 4.320 -0.000 0.000 0.209 837 A C 2.068 179.558 177.584 -0.157 0.000 1.229 837 A CA 1.201 53.175 52.037 -0.104 0.000 0.671 837 A CB -0.741 18.144 19.000 -0.193 0.000 0.886 837 A HN 0.022 nan 8.150 nan 0.000 0.461 838 A N -0.706 121.932 122.820 -0.303 0.000 1.970 838 A HA 0.039 4.358 4.320 -0.000 0.000 0.216 838 A C 0.925 178.465 177.584 -0.074 0.000 1.170 838 A CA 1.084 53.017 52.037 -0.174 0.000 0.645 838 A CB -0.182 18.578 19.000 -0.400 0.000 0.816 838 A HN 0.358 nan 8.150 nan 0.000 0.447 839 D N 0.319 120.605 120.400 -0.192 0.000 2.380 839 D HA 0.345 4.985 4.640 -0.000 0.000 0.230 839 D C 0.685 176.676 176.300 -0.515 0.000 1.154 839 D CA -0.171 53.600 54.000 -0.382 0.000 0.859 839 D CB 0.711 41.072 40.800 -0.732 0.000 1.045 839 D HN 0.247 nan 8.370 nan 0.000 0.495 840 L N 2.755 123.733 121.223 -0.407 0.000 2.478 840 L HA -0.075 4.265 4.340 -0.000 0.000 0.223 840 L C 2.457 178.833 176.870 -0.824 0.000 1.140 840 L CA 0.900 55.447 54.840 -0.490 0.000 0.842 840 L CB -0.227 41.603 42.059 -0.383 0.000 0.953 840 L HN 0.446 nan 8.230 nan 0.000 0.452 841 T N -3.731 110.389 114.554 -0.723 0.000 3.023 841 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 841 T C 0.602 175.087 174.700 -0.359 0.000 1.093 841 T CA 0.234 62.013 62.100 -0.535 0.000 1.129 841 T CB -0.297 68.387 68.868 -0.306 0.000 0.899 841 T HN -0.040 nan 8.240 nan 0.000 0.491 842 Y N 1.602 121.602 120.300 -0.499 0.000 2.336 842 Y HA 0.526 5.076 4.550 -0.000 0.000 0.331 842 Y C 1.902 177.471 175.900 -0.552 0.000 1.211 842 Y CA -0.646 56.974 58.100 -0.800 0.000 1.346 842 Y CB 0.275 37.657 38.460 -1.796 0.000 1.271 842 Y HN 0.289 nan 8.280 nan 0.000 0.538 843 G N 0.401 109.072 108.800 -0.214 0.000 2.347 843 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.247 843 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.247 843 G C 0.639 175.551 174.900 0.021 0.000 1.037 843 G CA 0.381 45.566 45.100 0.142 0.000 0.622 843 G HN 1.896 nan 8.290 nan 0.000 0.521 844 G N -1.564 107.175 108.800 -0.102 0.000 2.757 844 G HA2 0.157 4.116 3.960 -0.000 0.000 0.638 844 G HA3 0.157 4.116 3.960 -0.000 0.000 0.638 844 G C 0.367 174.831 174.900 -0.727 0.000 1.344 844 G CA 0.826 45.746 45.100 -0.300 0.000 0.855 844 G HN 1.946 nan 8.290 nan 0.000 0.537 845 Y N -1.214 118.564 120.300 -0.871 0.000 2.483 845 Y HA 0.084 4.634 4.550 -0.000 0.000 0.291 845 Y C 2.671 178.405 175.900 -0.278 0.000 1.143 845 Y CA 2.144 59.809 58.100 -0.725 0.000 1.289 845 Y CB -0.734 37.547 38.460 -0.299 0.000 0.983 845 Y HN 0.982 nan 8.280 nan 0.000 0.556 846 T N -3.825 110.189 114.554 -0.899 0.000 3.100 846 T HA 0.159 4.509 4.350 -0.000 0.000 0.253 846 T C 0.874 175.418 174.700 -0.261 0.000 1.118 846 T CA 0.534 62.261 62.100 -0.622 0.000 1.058 846 T CB -0.389 68.136 68.868 -0.572 0.000 0.953 846 T HN 0.234 nan 8.240 nan 0.000 0.515 847 S N 0.762 116.350 115.700 -0.188 0.000 2.835 847 S HA 0.379 4.848 4.470 -0.000 0.000 0.248 847 S C -0.032 174.630 174.600 0.103 0.000 1.070 847 S CA -0.784 57.410 58.200 -0.010 0.000 1.090 847 S CB 0.357 63.605 63.200 0.080 0.000 0.978 847 S HN 0.204 nan 8.310 nan 0.000 0.510 848 K N 1.176 121.598 120.400 0.037 0.000 2.651 848 K HA 0.632 4.952 4.320 -0.000 0.000 0.283 848 K C 1.205 177.860 176.600 0.092 0.000 1.018 848 K CA -0.554 55.781 56.287 0.079 0.000 1.127 848 K CB -0.575 31.959 32.500 0.058 0.000 1.501 848 K HN 0.261 nan 8.250 nan 0.000 0.608 849 G N 0.183 109.031 108.800 0.080 0.000 2.516 849 G HA2 0.109 4.069 3.960 -0.000 0.000 0.276 849 G HA3 0.109 4.069 3.960 -0.000 0.000 0.276 849 G C -0.821 174.143 174.900 0.107 0.000 1.390 849 G CA -0.360 44.767 45.100 0.045 0.000 1.050 849 G HN 0.398 nan 8.290 nan 0.000 0.519 850 E N 0.725 120.993 120.200 0.113 0.000 2.104 850 E HA 0.026 4.376 4.350 -0.000 0.000 0.278 850 E C -0.464 176.344 176.600 0.345 0.000 1.127 850 E CA -0.250 56.280 56.400 0.217 0.000 0.897 850 E CB 0.568 30.392 29.700 0.207 0.000 1.043 850 E HN 0.346 nan 8.360 nan 0.000 0.410 851 N N 3.093 121.943 118.700 0.249 0.000 2.968 851 N HA -0.003 4.736 4.740 -0.000 0.000 0.271 851 N C -1.612 174.014 175.510 0.193 0.000 1.174 851 N CA -0.034 53.156 53.050 0.233 0.000 1.096 851 N CB 0.379 38.977 38.487 0.186 0.000 1.403 851 N HN 0.261 nan 8.380 nan 0.000 0.522 852 S N 1.303 117.132 115.700 0.215 0.000 2.575 852 S HA 0.196 4.666 4.470 -0.000 0.000 0.278 852 S C 0.731 175.340 174.600 0.015 0.000 1.139 852 S CA -0.729 57.533 58.200 0.104 0.000 0.954 852 S CB 1.242 64.534 63.200 0.154 0.000 1.054 852 S HN 0.518 nan 8.310 nan 0.000 0.483 853 E N 3.187 123.275 120.200 -0.187 0.000 2.072 853 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 853 E C 1.400 177.864 176.600 -0.228 0.000 0.985 853 E CA 1.456 57.582 56.400 -0.457 0.000 0.801 853 E CB -0.045 29.224 29.700 -0.719 0.000 0.750 853 E HN 0.602 nan 8.360 nan 0.000 0.452 854 V N 1.345 121.039 119.914 -0.367 0.000 2.261 854 V HA -0.313 3.807 4.120 -0.000 0.000 0.246 854 V C 2.527 178.561 176.094 -0.100 0.000 1.047 854 V CA 2.099 64.128 62.300 -0.451 0.000 1.015 854 V CB -0.472 30.947 31.823 -0.673 0.000 0.642 854 V HN 0.383 nan 8.190 nan 0.000 0.446 855 M N -0.812 118.777 119.600 -0.018 0.000 2.117 855 M HA -0.202 4.278 4.480 -0.000 0.000 0.262 855 M C 2.464 178.817 176.300 0.088 0.000 1.065 855 M CA 1.889 57.259 55.300 0.117 0.000 1.114 855 M CB -0.511 32.345 32.600 0.427 0.000 1.361 855 M HN 0.171 nan 8.290 nan 0.000 0.408 856 R N -0.139 120.305 120.500 -0.094 0.000 2.090 856 R HA -0.105 4.235 4.340 -0.000 0.000 0.228 856 R C 2.122 178.377 176.300 -0.076 0.000 1.110 856 R CA 1.095 56.833 56.100 -0.603 0.000 0.973 856 R CB -0.237 29.782 30.300 -0.468 0.000 0.869 856 R HN 0.300 nan 8.270 nan 0.000 0.440 857 F N 1.122 121.160 119.950 0.147 0.000 2.069 857 F HA -0.260 4.267 4.527 -0.000 0.000 0.298 857 F C 1.779 177.652 175.800 0.122 0.000 1.113 857 F CA 1.573 59.727 58.000 0.257 0.000 1.214 857 F CB -0.118 39.124 39.000 0.403 0.000 0.978 857 F HN -0.012 nan 8.300 nan 0.000 0.474 858 L N -0.234 121.278 121.223 0.482 0.000 2.046 858 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 858 L C 1.830 178.865 176.870 0.276 0.000 1.077 858 L CA 1.565 56.626 54.840 0.368 0.000 0.747 858 L CB -0.344 41.827 42.059 0.185 0.000 0.896 858 L HN 0.119 nan 8.230 nan 0.000 0.432 859 R N -1.751 118.844 120.500 0.158 0.000 2.549 859 R HA 0.076 4.416 4.340 -0.000 0.000 0.361 859 R C 1.219 177.578 176.300 0.098 0.000 0.969 859 R CA -0.082 56.082 56.100 0.106 0.000 1.158 859 R CB 0.059 30.569 30.300 0.350 0.000 1.456 859 R HN 0.152 nan 8.270 nan 0.000 0.540 860 N N 2.180 120.802 118.700 -0.129 0.000 2.091 860 N HA -0.244 4.496 4.740 -0.000 0.000 0.193 860 N C 1.628 177.201 175.510 0.104 0.000 1.021 860 N CA 2.109 54.988 53.050 -0.284 0.000 0.862 860 N CB -0.063 38.212 38.487 -0.353 0.000 1.018 860 N HN 0.526 nan 8.380 nan 0.000 0.429 861 H N -2.274 116.800 119.070 0.006 0.000 2.559 861 H HA 0.179 4.735 4.556 -0.000 0.000 0.273 861 H C 1.275 176.613 175.328 0.017 0.000 1.000 861 H CA 0.594 56.621 56.048 -0.036 0.000 1.195 861 H CB -0.074 29.611 29.762 -0.128 0.000 1.368 861 H HN 0.391 nan 8.280 nan 0.000 0.592 862 Q N 0.173 119.837 119.800 -0.227 0.000 2.317 862 Q HA 0.263 4.603 4.340 -0.000 0.000 0.220 862 Q C -0.268 175.756 176.000 0.040 0.000 0.873 862 Q CA 0.151 55.865 55.803 -0.149 0.000 0.936 862 Q CB 0.938 29.538 28.738 -0.230 0.000 1.105 862 Q HN 0.377 nan 8.270 nan 0.000 0.520 863 K N 0.273 120.794 120.400 0.203 0.000 2.532 863 K HA 0.294 4.613 4.320 -0.000 0.000 0.265 863 K C -1.472 175.225 176.600 0.161 0.000 0.948 863 K CA -0.723 55.634 56.287 0.117 0.000 0.842 863 K CB 1.745 34.188 32.500 -0.096 0.000 1.392 863 K HN -0.179 nan 8.250 nan 0.000 0.436 864 D N 1.407 121.815 120.400 0.014 0.000 2.772 864 D HA 0.175 4.814 4.640 -0.000 0.000 0.273 864 D C -0.471 175.620 176.300 -0.347 0.000 1.233 864 D CA 0.112 54.097 54.000 -0.025 0.000 0.984 864 D CB 0.709 41.536 40.800 0.045 0.000 1.000 864 D HN 0.313 nan 8.370 nan 0.000 0.514 865 S N 0.145 115.394 115.700 -0.751 0.000 2.952 865 S HA 0.176 4.646 4.470 -0.000 0.000 0.251 865 S C 0.040 174.145 174.600 -0.823 0.000 1.021 865 S CA -0.666 57.050 58.200 -0.807 0.000 1.067 865 S CB 0.481 63.164 63.200 -0.862 0.000 1.002 865 S HN 0.333 nan 8.310 nan 0.000 0.574 866 W N 0.375 121.707 121.300 0.053 0.000 2.848 866 W HA 0.653 5.313 4.660 -0.000 0.000 0.396 866 W C -0.351 176.223 176.519 0.091 0.000 1.553 866 W CA -1.118 56.283 57.345 0.094 0.000 1.488 866 W CB 0.178 29.709 29.460 0.118 0.000 1.732 866 W HN -0.251 nan 8.180 nan 0.000 0.681 867 V N 1.874 122.029 119.914 0.402 0.000 2.350 867 V HA 0.594 4.713 4.120 -0.000 0.000 0.276 867 V C 0.548 176.788 176.094 0.243 0.000 1.028 867 V CA -0.557 61.906 62.300 0.272 0.000 0.860 867 V CB 0.155 32.140 31.823 0.270 0.000 0.990 867 V HN 0.655 nan 8.190 nan 0.000 0.453 868 G N 2.627 111.531 108.800 0.173 0.000 2.537 868 G HA2 0.392 4.352 3.960 -0.000 0.000 0.297 868 G HA3 0.392 4.352 3.960 -0.000 0.000 0.297 868 G C -0.748 174.210 174.900 0.098 0.000 1.310 868 G CA -0.533 44.633 45.100 0.109 0.000 1.027 868 G HN 0.693 nan 8.290 nan 0.000 0.505 869 D N -1.305 119.105 120.400 0.017 0.000 2.371 869 D HA 0.273 4.913 4.640 -0.000 0.000 0.256 869 D C -1.271 175.053 176.300 0.039 0.000 1.193 869 D CA 0.413 54.431 54.000 0.030 0.000 0.881 869 D CB 0.247 41.056 40.800 0.017 0.000 1.143 869 D HN 0.237 nan 8.370 nan 0.000 0.473 870 Y N 5.352 125.591 120.300 -0.101 0.000 2.632 870 Y HA 0.221 4.771 4.550 -0.000 0.000 0.291 870 Y C -2.172 173.602 175.900 -0.212 0.000 1.098 870 Y CA -1.367 56.587 58.100 -0.244 0.000 1.271 870 Y CB 1.365 39.581 38.460 -0.408 0.000 1.120 870 Y HN 0.386 nan 8.280 nan 0.000 0.574 871 P HA -0.226 nan 4.420 nan 0.000 0.222 871 P C 1.069 178.340 177.300 -0.048 0.000 1.147 871 P CA 1.454 64.528 63.100 -0.045 0.000 0.790 871 P CB 0.177 31.852 31.700 -0.041 0.000 0.780 872 Q N -1.744 117.960 119.800 -0.161 0.000 2.364 872 Q HA -0.171 4.169 4.340 -0.000 0.000 0.209 872 Q C 1.221 177.318 176.000 0.162 0.000 0.977 872 Q CA 1.133 56.907 55.803 -0.048 0.000 0.885 872 Q CB -0.819 27.858 28.738 -0.101 0.000 0.941 872 Q HN 0.192 nan 8.270 nan 0.000 0.464 873 Y N 1.100 121.498 120.300 0.164 0.000 2.475 873 Y HA 0.249 4.798 4.550 -0.000 0.000 0.289 873 Y C 1.648 177.580 175.900 0.053 0.000 1.121 873 Y CA 0.204 58.404 58.100 0.167 0.000 1.257 873 Y CB -0.517 38.114 38.460 0.284 0.000 1.026 873 Y HN 0.329 nan 8.280 nan 0.000 0.555 874 G N -0.611 108.309 108.800 0.200 0.000 2.796 874 G HA2 0.112 4.072 3.960 -0.000 0.000 0.226 874 G HA3 0.112 4.072 3.960 -0.000 0.000 0.226 874 G C 0.829 175.820 174.900 0.153 0.000 1.381 874 G CA 0.090 45.252 45.100 0.104 0.000 0.867 874 G HN 1.052 nan 8.290 nan 0.000 0.552 875 G N -0.507 108.358 108.800 0.108 0.000 2.665 875 G HA2 0.043 4.002 3.960 -0.000 0.000 0.326 875 G HA3 0.043 4.002 3.960 -0.000 0.000 0.326 875 G C 1.972 176.998 174.900 0.210 0.000 1.231 875 G CA 2.787 47.974 45.100 0.145 0.000 0.992 875 G HN 2.591 nan 8.290 nan 0.000 0.549 876 A N -0.117 122.836 122.820 0.222 0.000 2.076 876 A HA 0.356 4.676 4.320 -0.000 0.000 0.220 876 A C 2.669 180.406 177.584 0.255 0.000 1.160 876 A CA 2.894 55.078 52.037 0.244 0.000 0.653 876 A CB -0.622 18.521 19.000 0.238 0.000 0.801 876 A HN 2.155 nan 8.150 nan 0.000 0.455 877 A N -0.791 122.189 122.820 0.267 0.000 2.275 877 A HA 0.177 4.497 4.320 -0.000 0.000 0.212 877 A C 0.764 178.477 177.584 0.215 0.000 1.201 877 A CA -0.024 52.173 52.037 0.267 0.000 0.843 877 A CB -0.354 18.870 19.000 0.374 0.000 0.873 877 A HN 0.357 nan 8.150 nan 0.000 0.492 878 N N 1.234 120.072 118.700 0.230 0.000 2.521 878 N HA 0.371 5.111 4.740 -0.000 0.000 0.236 878 N C 0.238 175.918 175.510 0.284 0.000 1.067 878 N CA 0.605 53.799 53.050 0.240 0.000 0.939 878 N CB 0.016 38.649 38.487 0.242 0.000 1.201 878 N HN 0.610 nan 8.380 nan 0.000 0.511 879 A N 3.427 126.361 122.820 0.190 0.000 2.362 879 A HA -0.137 4.183 4.320 -0.000 0.000 0.290 879 A C -2.065 175.582 177.584 0.106 0.000 1.441 879 A CA -0.111 52.009 52.037 0.139 0.000 0.743 879 A CB -1.657 17.415 19.000 0.119 0.000 1.125 879 A HN 0.589 nan 8.150 nan 0.000 0.378 880 P HA 0.130 nan 4.420 nan 0.000 0.265 880 P C 1.242 178.567 177.300 0.042 0.000 1.193 880 P CA -0.007 63.163 63.100 0.117 0.000 0.765 880 P CB 0.558 32.349 31.700 0.151 0.000 0.823 881 L N 2.529 123.741 121.223 -0.018 0.000 2.131 881 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 881 L C 2.164 178.975 176.870 -0.098 0.000 1.092 881 L CA 1.335 56.121 54.840 -0.089 0.000 0.759 881 L CB -0.456 41.495 42.059 -0.181 0.000 0.903 881 L HN 0.396 nan 8.230 nan 0.000 0.435 882 L N -0.690 120.463 121.223 -0.116 0.000 2.599 882 L HA 0.124 4.464 4.340 -0.000 0.000 0.230 882 L C 1.552 178.425 176.870 0.005 0.000 1.141 882 L CA 0.235 55.014 54.840 -0.101 0.000 0.877 882 L CB -0.894 41.058 42.059 -0.179 0.000 1.009 882 L HN 0.435 nan 8.230 nan 0.000 0.447 883 G N 0.667 109.490 108.800 0.038 0.000 2.583 883 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.292 883 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.292 883 G C 0.282 175.247 174.900 0.107 0.000 1.203 883 G CA -0.182 44.967 45.100 0.081 0.000 0.987 883 G HN 0.884 nan 8.290 nan 0.000 0.554 884 G N -3.036 105.836 108.800 0.120 0.000 2.277 884 G HA2 0.515 4.474 3.960 -0.000 0.000 0.272 884 G HA3 0.515 4.474 3.960 -0.000 0.000 0.272 884 G C -0.688 174.280 174.900 0.112 0.000 1.692 884 G CA 0.327 45.535 45.100 0.180 0.000 0.926 884 G HN 1.768 nan 8.290 nan 0.000 0.720 885 Y N 2.065 122.428 120.300 0.105 0.000 2.810 885 Y HA 0.289 4.839 4.550 -0.000 0.000 0.332 885 Y C 0.702 176.598 175.900 -0.005 0.000 1.243 885 Y CA 0.846 58.983 58.100 0.062 0.000 1.537 885 Y CB 0.721 39.214 38.460 0.056 0.000 1.265 885 Y HN 0.549 nan 8.280 nan 0.000 0.572 886 N N 7.409 125.815 118.700 -0.490 0.000 2.524 886 N HA 0.177 4.916 4.740 -0.000 0.000 0.261 886 N C -1.481 173.926 175.510 -0.171 0.000 0.998 886 N CA -0.481 52.417 53.050 -0.254 0.000 0.915 886 N CB 0.660 38.965 38.487 -0.305 0.000 1.187 886 N HN 0.820 nan 8.380 nan 0.000 0.507 887 M N 3.102 122.787 119.600 0.140 0.000 2.157 887 M HA 0.342 4.822 4.480 -0.000 0.000 0.354 887 M C -0.657 175.793 176.300 0.251 0.000 1.170 887 M CA -0.205 55.317 55.300 0.370 0.000 1.060 887 M CB 0.744 33.607 32.600 0.437 0.000 1.615 887 M HN 0.269 nan 8.290 nan 0.000 0.460 888 K N 2.866 123.466 120.400 0.333 0.000 2.331 888 K HA 0.634 4.953 4.320 -0.000 0.000 0.238 888 K C -1.437 175.502 176.600 0.565 0.000 1.058 888 K CA -0.945 55.566 56.287 0.373 0.000 0.871 888 K CB 1.745 34.429 32.500 0.307 0.000 1.292 888 K HN 0.656 nan 8.250 nan 0.000 0.470 889 D N 0.029 120.704 120.400 0.459 0.000 2.583 889 D HA 0.248 4.888 4.640 -0.000 0.000 0.248 889 D C -0.583 175.842 176.300 0.208 0.000 1.209 889 D CA -0.335 53.814 54.000 0.250 0.000 0.848 889 D CB 1.570 42.546 40.800 0.292 0.000 1.431 889 D HN 0.544 nan 8.370 nan 0.000 0.436 890 F N -1.630 118.268 119.950 -0.088 0.000 2.974 890 F HA 0.367 4.893 4.527 -0.000 0.000 0.357 890 F C 0.345 176.134 175.800 -0.018 0.000 1.114 890 F CA -0.472 57.508 58.000 -0.034 0.000 1.099 890 F CB 0.429 39.415 39.000 -0.024 0.000 1.205 890 F HN 0.059 nan 8.300 nan 0.000 0.535 891 E N 1.177 121.147 120.200 -0.383 0.000 2.723 891 E HA 0.482 4.832 4.350 -0.000 0.000 0.219 891 E C 1.205 177.776 176.600 -0.048 0.000 1.060 891 E CA 0.153 56.394 56.400 -0.265 0.000 1.291 891 E CB 0.481 29.933 29.700 -0.413 0.000 1.265 891 E HN 0.631 nan 8.360 nan 0.000 0.438 892 G N 1.186 110.001 108.800 0.025 0.000 2.232 892 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.226 892 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.226 892 G C -0.085 174.895 174.900 0.133 0.000 0.996 892 G CA -0.326 44.816 45.100 0.070 0.000 0.626 892 G HN 0.489 nan 8.290 nan 0.000 0.509 893 W N 3.449 124.738 121.300 -0.019 0.000 2.417 893 W HA 0.382 5.042 4.660 -0.000 0.000 0.332 893 W C 0.820 177.356 176.519 0.029 0.000 1.413 893 W CA 0.928 58.272 57.345 -0.002 0.000 1.299 893 W CB -0.005 29.466 29.460 0.020 0.000 1.304 893 W HN 0.539 nan 8.180 nan 0.000 0.565 894 Q N 4.064 123.484 119.800 -0.634 0.000 2.457 894 Q HA -0.255 4.085 4.340 -0.000 0.000 0.283 894 Q C 1.101 176.940 176.000 -0.268 0.000 1.234 894 Q CA 1.018 56.444 55.803 -0.629 0.000 0.877 894 Q CB -1.752 26.435 28.738 -0.918 0.000 1.250 894 Q HN 1.076 nan 8.270 nan 0.000 0.481 895 G N -0.308 108.413 108.800 -0.133 0.000 2.179 895 G HA2 -0.372 3.587 3.960 -0.000 0.000 0.260 895 G HA3 -0.372 3.587 3.960 -0.000 0.000 0.260 895 G C 0.104 174.991 174.900 -0.021 0.000 0.977 895 G CA 0.369 45.436 45.100 -0.054 0.000 0.641 895 G HN 0.371 nan 8.290 nan 0.000 0.533 896 R N 0.401 120.894 120.500 -0.012 0.000 2.449 896 R HA 0.415 4.755 4.340 -0.000 0.000 0.296 896 R C 1.088 177.438 176.300 0.083 0.000 1.047 896 R CA 0.916 57.047 56.100 0.052 0.000 1.018 896 R CB 0.083 30.442 30.300 0.098 0.000 0.962 896 R HN 0.710 nan 8.270 nan 0.000 0.428 897 N N -0.911 117.850 118.700 0.101 0.000 2.039 897 N HA -0.051 4.689 4.740 -0.000 0.000 0.228 897 N C -0.947 174.663 175.510 0.167 0.000 1.369 897 N CA -0.387 52.735 53.050 0.119 0.000 0.806 897 N CB 0.561 39.052 38.487 0.007 0.000 1.190 897 N HN 0.302 nan 8.380 nan 0.000 0.506 898 D N 0.787 121.289 120.400 0.170 0.000 2.422 898 D HA 0.001 4.641 4.640 -0.000 0.000 0.227 898 D C 0.326 176.734 176.300 0.179 0.000 1.190 898 D CA -0.465 53.623 54.000 0.146 0.000 0.905 898 D CB 0.173 41.039 40.800 0.110 0.000 1.034 898 D HN 0.320 nan 8.370 nan 0.000 0.507 899 Y N 4.124 124.413 120.300 -0.018 0.000 2.181 899 Y HA -0.174 4.376 4.550 -0.000 0.000 0.288 899 Y C 1.995 177.861 175.900 -0.057 0.000 1.146 899 Y CA 2.050 60.005 58.100 -0.241 0.000 1.164 899 Y CB 0.096 38.252 38.460 -0.507 0.000 0.982 899 Y HN 0.440 nan 8.280 nan 0.000 0.515 900 A N 0.637 123.498 122.820 0.068 0.000 1.902 900 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 900 A C 2.398 179.976 177.584 -0.009 0.000 1.181 900 A CA 1.861 53.913 52.037 0.025 0.000 0.623 900 A CB -1.505 17.552 19.000 0.095 0.000 0.818 900 A HN 0.624 nan 8.150 nan 0.000 0.443 901 A N -1.552 121.294 122.820 0.042 0.000 1.933 901 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 901 A C 2.111 179.727 177.584 0.053 0.000 1.175 901 A CA 1.644 53.717 52.037 0.061 0.000 0.628 901 A CB -0.780 18.272 19.000 0.087 0.000 0.814 901 A HN 0.755 nan 8.150 nan 0.000 0.444 902 Y N 0.622 120.879 120.300 -0.072 0.000 2.145 902 Y HA -0.209 4.341 4.550 -0.000 0.000 0.286 902 Y C 2.022 177.837 175.900 -0.142 0.000 1.145 902 Y CA 1.776 59.840 58.100 -0.060 0.000 1.148 902 Y CB -0.116 38.342 38.460 -0.004 0.000 0.981 902 Y HN 0.235 nan 8.280 nan 0.000 0.507 903 I N 0.936 121.326 120.570 -0.299 0.000 2.252 903 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 903 I C 2.439 178.497 176.117 -0.099 0.000 1.102 903 I CA 1.549 62.681 61.300 -0.281 0.000 1.385 903 I CB -1.259 36.609 38.000 -0.220 0.000 1.064 903 I HN 0.301 nan 8.210 nan 0.000 0.414 904 K N 1.165 121.563 120.400 -0.003 0.000 2.063 904 K HA -0.262 4.058 4.320 -0.000 0.000 0.208 904 K C 1.914 178.473 176.600 -0.068 0.000 1.048 904 K CA 2.057 58.418 56.287 0.123 0.000 0.928 904 K CB -0.172 32.431 32.500 0.171 0.000 0.713 904 K HN 0.188 nan 8.250 nan 0.000 0.442 905 N N 0.785 119.414 118.700 -0.119 0.000 2.120 905 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 905 N C 1.901 177.227 175.510 -0.306 0.000 1.024 905 N CA 1.158 54.118 53.050 -0.150 0.000 0.852 905 N CB -0.136 38.293 38.487 -0.097 0.000 1.003 905 N HN 0.159 nan 8.380 nan 0.000 0.424 906 L N -0.854 120.093 121.223 -0.461 0.000 2.013 906 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 906 L C 1.802 178.283 176.870 -0.647 0.000 1.073 906 L CA 1.475 55.964 54.840 -0.585 0.000 0.753 906 L CB -0.712 40.909 42.059 -0.729 0.000 0.890 906 L HN 0.302 nan 8.230 nan 0.000 0.432 907 Y N -0.305 119.605 120.300 -0.650 0.000 2.314 907 Y HA -0.161 4.388 4.550 -0.000 0.000 0.293 907 Y C 2.815 178.064 175.900 -1.084 0.000 1.129 907 Y CA 1.372 58.899 58.100 -0.955 0.000 1.201 907 Y CB -0.802 36.718 38.460 -1.566 0.000 0.999 907 Y HN 0.126 nan 8.280 nan 0.000 0.541 908 T N -1.377 112.721 114.554 -0.761 0.000 2.708 908 T HA -0.160 4.189 4.350 -0.000 0.000 0.266 908 T C 1.262 175.598 174.700 -0.607 0.000 1.037 908 T CA 1.977 63.716 62.100 -0.602 0.000 1.146 908 T CB -0.149 68.454 68.868 -0.440 0.000 0.865 908 T HN 0.443 nan 8.240 nan 0.000 0.435 909 H N -0.723 118.205 119.070 -0.237 0.000 2.926 909 H HA 0.228 4.784 4.556 -0.000 0.000 0.249 909 H C 1.427 176.605 175.328 -0.249 0.000 0.963 909 H CA 0.258 56.189 56.048 -0.195 0.000 1.158 909 H CB 0.351 29.998 29.762 -0.192 0.000 1.445 909 H HN 0.242 nan 8.280 nan 0.000 0.452 910 D N 0.716 120.966 120.400 -0.249 0.000 2.240 910 D HA -0.030 4.610 4.640 -0.000 0.000 0.206 910 D C 2.223 178.426 176.300 -0.162 0.000 0.963 910 D CA 0.394 54.219 54.000 -0.292 0.000 0.863 910 D CB 0.378 40.886 40.800 -0.488 0.000 0.973 910 D HN 0.028 nan 8.370 nan 0.000 0.501 911 V N 1.798 121.537 119.914 -0.291 0.000 2.295 911 V HA -0.239 3.880 4.120 -0.000 0.000 0.246 911 V C 2.685 178.753 176.094 -0.043 0.000 1.049 911 V CA 2.158 64.298 62.300 -0.267 0.000 1.024 911 V CB -0.703 30.837 31.823 -0.471 0.000 0.648 911 V HN 0.261 nan 8.190 nan 0.000 0.447 912 S N -0.889 114.692 115.700 -0.198 0.000 2.383 912 S HA -0.207 4.263 4.470 -0.000 0.000 0.227 912 S C 1.947 176.617 174.600 0.116 0.000 1.026 912 S CA 1.788 59.921 58.200 -0.111 0.000 0.981 912 S CB -0.783 62.269 63.200 -0.246 0.000 0.818 912 S HN 0.548 nan 8.310 nan 0.000 0.472 913 T N 2.459 117.065 114.554 0.086 0.000 2.684 913 T HA -0.037 4.313 4.350 -0.000 0.000 0.267 913 T C 1.864 176.692 174.700 0.212 0.000 1.036 913 T CA 1.433 63.617 62.100 0.139 0.000 1.148 913 T CB -0.229 68.711 68.868 0.120 0.000 0.863 913 T HN 0.349 nan 8.240 nan 0.000 0.436 914 K N 0.553 121.115 120.400 0.271 0.000 2.103 914 K HA 0.048 4.368 4.320 -0.000 0.000 0.204 914 K C 1.979 178.816 176.600 0.396 0.000 1.052 914 K CA 0.713 57.206 56.287 0.343 0.000 0.945 914 K CB -0.729 32.038 32.500 0.445 0.000 0.722 914 K HN 0.392 nan 8.250 nan 0.000 0.443 915 F N 2.173 122.306 119.950 0.305 0.000 2.065 915 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 915 F C 2.089 178.042 175.800 0.254 0.000 1.112 915 F CA 1.442 59.534 58.000 0.154 0.000 1.212 915 F CB -0.291 38.826 39.000 0.195 0.000 0.975 915 F HN -0.132 nan 8.300 nan 0.000 0.476 916 I N 0.225 121.005 120.570 0.350 0.000 2.208 916 I HA -0.341 3.829 4.170 -0.000 0.000 0.245 916 I C 2.249 178.442 176.117 0.127 0.000 1.097 916 I CA 1.516 62.960 61.300 0.240 0.000 1.363 916 I CB -0.651 37.448 38.000 0.164 0.000 1.051 916 I HN 0.270 nan 8.210 nan 0.000 0.413 917 Q N -0.311 119.508 119.800 0.030 0.000 2.508 917 Q HA -0.209 4.131 4.340 -0.000 0.000 0.214 917 Q C 1.248 177.009 176.000 -0.398 0.000 0.979 917 Q CA 0.893 56.635 55.803 -0.102 0.000 0.911 917 Q CB -0.185 28.509 28.738 -0.074 0.000 0.969 917 Q HN 0.629 nan 8.270 nan 0.000 0.504 918 H N -1.542 117.163 119.070 -0.608 0.000 2.543 918 H HA 0.103 4.659 4.556 -0.000 0.000 0.269 918 H C -0.724 173.821 175.328 -1.304 0.000 1.005 918 H CA 0.291 55.638 56.048 -1.169 0.000 1.146 918 H CB 0.182 28.713 29.762 -2.051 0.000 1.353 918 H HN 0.018 nan 8.280 nan 0.000 0.595 919 F N -0.476 119.303 119.950 -0.286 0.000 2.603 919 F HA 0.433 4.960 4.527 -0.000 0.000 0.317 919 F C -0.175 175.431 175.800 -0.323 0.000 1.066 919 F CA -1.289 56.562 58.000 -0.248 0.000 0.941 919 F CB 1.741 40.627 39.000 -0.191 0.000 1.291 919 F HN -0.318 nan 8.300 nan 0.000 0.472 920 K N 1.149 121.429 120.400 -0.200 0.000 2.221 920 K HA 0.617 4.937 4.320 -0.000 0.000 0.258 920 K C -1.173 175.243 176.600 -0.307 0.000 0.944 920 K CA -0.979 55.088 56.287 -0.367 0.000 0.823 920 K CB 2.371 34.578 32.500 -0.488 0.000 1.113 920 K HN 0.300 nan 8.250 nan 0.000 0.431 921 V N 2.562 122.221 119.914 -0.425 0.000 2.585 921 V HA -0.045 4.075 4.120 -0.000 0.000 0.296 921 V C 1.308 176.930 176.094 -0.788 0.000 1.035 921 V CA 0.605 62.513 62.300 -0.653 0.000 1.084 921 V CB 0.823 32.097 31.823 -0.916 0.000 0.953 921 V HN 1.089 nan 8.190 nan 0.000 0.483 922 T N 1.639 115.893 114.554 -0.501 0.000 2.955 922 T HA 0.289 4.639 4.350 -0.000 0.000 0.251 922 T C 0.540 175.201 174.700 -0.066 0.000 1.002 922 T CA -0.212 61.741 62.100 -0.244 0.000 0.970 922 T CB 0.384 69.173 68.868 -0.131 0.000 1.091 922 T HN 0.517 nan 8.240 nan 0.000 0.495 923 R N -0.534 119.911 120.500 -0.091 0.000 2.604 923 R HA 0.481 4.821 4.340 -0.000 0.000 0.270 923 R C -2.577 173.820 176.300 0.162 0.000 1.052 923 R CA -0.744 55.404 56.100 0.080 0.000 0.902 923 R CB 1.855 32.156 30.300 0.001 0.000 1.233 923 R HN 0.284 nan 8.270 nan 0.000 0.455 924 W N 5.774 127.101 121.300 0.045 0.000 2.934 924 W HA 0.413 5.073 4.660 -0.000 0.000 0.333 924 W C -1.774 174.772 176.519 0.045 0.000 1.035 924 W CA -0.617 56.764 57.345 0.059 0.000 1.256 924 W CB 1.292 30.863 29.460 0.184 0.000 1.306 924 W HN 0.415 nan 8.180 nan 0.000 0.430 925 V N 3.008 123.172 119.914 0.416 0.000 3.074 925 V HA 0.629 4.749 4.120 -0.000 0.000 0.314 925 V C 0.136 176.374 176.094 0.239 0.000 1.117 925 V CA -1.090 61.349 62.300 0.231 0.000 1.014 925 V CB 1.961 33.852 31.823 0.114 0.000 1.057 925 V HN 0.603 nan 8.190 nan 0.000 0.438 926 N N 1.120 119.911 118.700 0.152 0.000 2.738 926 N HA -0.184 4.556 4.740 -0.000 0.000 0.249 926 N C -0.196 175.417 175.510 0.171 0.000 1.047 926 N CA 1.076 54.205 53.050 0.133 0.000 0.707 926 N CB -1.474 37.076 38.487 0.106 0.000 0.937 926 N HN 0.996 nan 8.380 nan 0.000 0.545 927 N N 1.628 120.427 118.700 0.164 0.000 2.420 927 N HA 0.130 4.870 4.740 -0.000 0.000 0.262 927 N C -1.097 174.497 175.510 0.141 0.000 1.144 927 N CA -1.506 51.648 53.050 0.174 0.000 0.952 927 N CB 0.906 39.401 38.487 0.013 0.000 1.081 927 N HN 0.121 nan 8.380 nan 0.000 0.480 928 P HA -0.038 nan 4.420 nan 0.000 0.233 928 P C 1.208 178.602 177.300 0.158 0.000 1.167 928 P CA 0.692 63.906 63.100 0.189 0.000 0.770 928 P CB 0.458 32.342 31.700 0.306 0.000 0.837 929 L N -1.346 119.966 121.223 0.149 0.000 2.395 929 L HA 0.081 4.421 4.340 -0.000 0.000 0.218 929 L C 1.213 178.126 176.870 0.071 0.000 1.130 929 L CA 0.377 55.287 54.840 0.116 0.000 0.826 929 L CB -0.392 41.741 42.059 0.123 0.000 0.941 929 L HN -0.083 nan 8.230 nan 0.000 0.451 930 L N 0.612 121.866 121.223 0.052 0.000 2.287 930 L HA 0.414 4.754 4.340 -0.000 0.000 0.287 930 L C 0.090 176.985 176.870 0.042 0.000 1.022 930 L CA -0.264 54.592 54.840 0.028 0.000 0.814 930 L CB 1.432 43.486 42.059 -0.009 0.000 1.217 930 L HN 0.065 nan 8.230 nan 0.000 0.420 931 T N -1.240 113.339 114.554 0.042 0.000 2.887 931 T HA 0.565 4.915 4.350 -0.000 0.000 0.292 931 T C 0.840 175.567 174.700 0.045 0.000 1.087 931 T CA -0.085 62.042 62.100 0.045 0.000 1.009 931 T CB 1.975 70.870 68.868 0.044 0.000 1.203 931 T HN 0.456 nan 8.240 nan 0.000 0.518 932 A N 0.742 123.589 122.820 0.044 0.000 1.908 932 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 932 A C 1.849 179.457 177.584 0.039 0.000 1.181 932 A CA 2.082 54.146 52.037 0.045 0.000 0.627 932 A CB -1.272 17.751 19.000 0.040 0.000 0.818 932 A HN 0.887 nan 8.150 nan 0.000 0.445 933 D N 0.316 120.736 120.400 0.033 0.000 2.149 933 D HA -0.149 4.491 4.640 -0.000 0.000 0.198 933 D C 1.199 177.517 176.300 0.030 0.000 0.990 933 D CA 1.616 55.633 54.000 0.028 0.000 0.839 933 D CB -0.378 40.437 40.800 0.025 0.000 0.948 933 D HN 0.766 nan 8.370 nan 0.000 0.460 934 N N -0.887 117.836 118.700 0.038 0.000 2.276 934 N HA 0.175 4.914 4.740 -0.000 0.000 0.212 934 N C 0.952 176.495 175.510 0.054 0.000 1.127 934 N CA 0.548 53.623 53.050 0.042 0.000 0.834 934 N CB 0.526 39.040 38.487 0.044 0.000 1.014 934 N HN 0.092 nan 8.380 nan 0.000 0.491 935 G N -0.093 108.743 108.800 0.060 0.000 2.131 935 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.201 935 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.201 935 G C -0.338 174.635 174.900 0.123 0.000 1.000 935 G CA -0.104 45.052 45.100 0.093 0.000 0.680 935 G HN 0.495 nan 8.290 nan 0.000 0.514 936 N N -0.128 118.622 118.700 0.084 0.000 2.571 936 N HA 0.552 5.292 4.740 -0.000 0.000 0.298 936 N C 1.558 177.106 175.510 0.064 0.000 1.671 936 N CA 0.429 53.516 53.050 0.062 0.000 0.900 936 N CB 0.713 39.211 38.487 0.018 0.000 1.365 936 N HN 0.411 nan 8.380 nan 0.000 0.493 937 A N 0.435 123.308 122.820 0.088 0.000 1.972 937 A HA -0.008 4.312 4.320 -0.000 0.000 0.219 937 A C 2.048 179.677 177.584 0.074 0.000 1.169 937 A CA 1.741 53.825 52.037 0.078 0.000 0.635 937 A CB -0.278 18.772 19.000 0.084 0.000 0.810 937 A HN 0.390 nan 8.150 nan 0.000 0.446 938 A N -0.787 122.083 122.820 0.083 0.000 2.278 938 A HA 0.610 4.930 4.320 -0.000 0.000 0.212 938 A C 1.186 178.802 177.584 0.054 0.000 1.213 938 A CA 0.554 52.630 52.037 0.066 0.000 0.840 938 A CB -0.882 18.158 19.000 0.066 0.000 0.866 938 A HN 0.923 nan 8.150 nan 0.000 0.489 939 A N -0.077 122.772 122.820 0.047 0.000 2.498 939 A HA 0.444 4.764 4.320 -0.000 0.000 0.239 939 A C 0.342 177.961 177.584 0.057 0.000 1.068 939 A CA -0.087 51.985 52.037 0.058 0.000 0.766 939 A CB 0.015 19.032 19.000 0.029 0.000 1.003 939 A HN 0.423 nan 8.150 nan 0.000 0.497 940 V N 2.765 122.715 119.914 0.060 0.000 2.521 940 V HA 0.176 4.296 4.120 -0.000 0.000 0.286 940 V C 0.639 176.765 176.094 0.054 0.000 1.034 940 V CA 0.306 62.633 62.300 0.045 0.000 1.045 940 V CB 0.959 32.797 31.823 0.026 0.000 0.974 940 V HN 0.802 nan 8.190 nan 0.000 0.480 941 S N 3.624 119.352 115.700 0.047 0.000 2.461 941 S HA 0.265 4.735 4.470 -0.000 0.000 0.322 941 S C -0.375 174.249 174.600 0.039 0.000 1.063 941 S CA -0.498 57.731 58.200 0.049 0.000 1.120 941 S CB 0.575 63.803 63.200 0.046 0.000 0.968 941 S HN 0.846 nan 8.310 nan 0.000 0.467 942 D N 4.078 124.502 120.400 0.039 0.000 2.454 942 D HA 0.321 4.961 4.640 -0.000 0.000 0.225 942 D C -1.554 174.763 176.300 0.028 0.000 1.081 942 D CA -2.282 51.735 54.000 0.028 0.000 0.864 942 D CB 1.436 42.251 40.800 0.024 0.000 1.040 942 D HN 0.158 nan 8.370 nan 0.000 0.517 943 P HA -0.023 nan 4.420 nan 0.000 0.233 943 P C 0.172 177.481 177.300 0.016 0.000 1.167 943 P CA 0.574 63.687 63.100 0.022 0.000 0.770 943 P CB 0.306 32.019 31.700 0.021 0.000 0.837 944 N N -1.133 117.575 118.700 0.012 0.000 2.336 944 N HA 0.031 4.771 4.740 -0.000 0.000 0.189 944 N C -0.195 175.318 175.510 0.004 0.000 1.113 944 N CA 0.286 53.340 53.050 0.007 0.000 0.858 944 N CB 0.063 38.552 38.487 0.004 0.000 0.970 944 N HN -0.008 nan 8.380 nan 0.000 0.471 945 T N 1.035 115.595 114.554 0.009 0.000 2.758 945 T HA 0.137 4.487 4.350 -0.000 0.000 0.285 945 T C 0.138 174.843 174.700 0.009 0.000 0.981 945 T CA -0.492 61.611 62.100 0.006 0.000 0.965 945 T CB 0.961 69.836 68.868 0.011 0.000 0.927 945 T HN 0.176 nan 8.240 nan 0.000 0.448 946 N N 3.743 122.443 118.700 0.001 0.000 2.727 946 N HA -0.269 4.471 4.740 -0.000 0.000 0.249 946 N C -0.033 175.482 175.510 0.008 0.000 1.048 946 N CA 1.125 54.175 53.050 0.000 0.000 0.714 946 N CB -1.984 36.500 38.487 -0.004 0.000 0.959 946 N HN 0.918 nan 8.380 nan 0.000 0.544 947 N N -2.047 116.659 118.700 0.010 0.000 2.741 947 N HA -0.191 4.549 4.740 -0.000 0.000 0.250 947 N C 0.754 176.279 175.510 0.024 0.000 1.115 947 N CA 1.151 54.210 53.050 0.015 0.000 0.724 947 N CB -1.391 37.105 38.487 0.014 0.000 1.090 947 N HN 0.946 nan 8.380 nan 0.000 0.558 948 G N -1.541 107.275 108.800 0.027 0.000 2.155 948 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.257 948 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.257 948 G C -0.063 174.866 174.900 0.048 0.000 0.983 948 G CA 0.479 45.602 45.100 0.038 0.000 0.676 948 G HN 0.517 nan 8.290 nan 0.000 0.528 949 N N 0.199 118.924 118.700 0.041 0.000 2.477 949 N HA 0.389 5.129 4.740 -0.000 0.000 0.284 949 N C 0.124 175.661 175.510 0.044 0.000 1.182 949 N CA -0.621 52.455 53.050 0.044 0.000 0.949 949 N CB 0.895 39.397 38.487 0.025 0.000 1.204 949 N HN 0.462 nan 8.380 nan 0.000 0.526 950 E N 0.609 120.837 120.200 0.047 0.000 2.452 950 E HA -0.086 4.264 4.350 -0.000 0.000 0.261 950 E C -0.686 175.926 176.600 0.020 0.000 0.987 950 E CA 0.531 56.980 56.400 0.081 0.000 0.926 950 E CB 0.528 30.285 29.700 0.096 0.000 0.934 950 E HN 0.365 nan 8.360 nan 0.000 0.452 951 Q N 4.061 123.881 119.800 0.032 0.000 2.340 951 Q HA 0.470 4.810 4.340 -0.000 0.000 0.276 951 Q C -1.647 174.275 176.000 -0.129 0.000 1.048 951 Q CA -0.672 55.096 55.803 -0.058 0.000 0.832 951 Q CB 1.287 30.005 28.738 -0.033 0.000 1.373 951 Q HN 0.576 nan 8.270 nan 0.000 0.409 952 I N 2.120 122.531 120.570 -0.265 0.000 2.498 952 I HA 0.423 4.593 4.170 -0.000 0.000 0.290 952 I C -0.701 175.259 176.117 -0.263 0.000 1.032 952 I CA -0.711 60.358 61.300 -0.384 0.000 1.073 952 I CB 2.477 40.026 38.000 -0.752 0.000 1.251 952 I HN 0.525 nan 8.210 nan 0.000 0.426 953 T N 6.719 121.145 114.554 -0.214 0.000 2.823 953 T HA 0.775 5.125 4.350 -0.000 0.000 0.279 953 T C -0.507 174.058 174.700 -0.225 0.000 0.998 953 T CA -0.465 61.523 62.100 -0.187 0.000 0.994 953 T CB 1.457 70.248 68.868 -0.129 0.000 0.960 953 T HN 0.188 nan 8.240 nan 0.000 0.448 954 L N 2.534 123.633 121.223 -0.206 0.000 2.393 954 L HA 0.670 5.010 4.340 -0.000 0.000 0.260 954 L C -0.261 176.552 176.870 -0.095 0.000 1.002 954 L CA -0.793 53.942 54.840 -0.174 0.000 0.818 954 L CB 2.052 44.028 42.059 -0.139 0.000 1.369 954 L HN 0.431 nan 8.230 nan 0.000 0.412 955 K N 0.423 120.816 120.400 -0.012 0.000 2.477 955 K HA 0.557 4.876 4.320 -0.000 0.000 0.255 955 K C -1.616 175.064 176.600 0.133 0.000 0.952 955 K CA -1.016 55.313 56.287 0.070 0.000 0.826 955 K CB 2.482 34.971 32.500 -0.019 0.000 1.331 955 K HN 0.712 nan 8.250 nan 0.000 0.437 956 D N -0.786 119.739 120.400 0.208 0.000 2.487 956 D HA 0.079 4.718 4.640 -0.000 0.000 0.262 956 D C 0.695 176.996 176.300 0.003 0.000 1.130 956 D CA -0.678 53.338 54.000 0.027 0.000 1.038 956 D CB 0.817 41.587 40.800 -0.050 0.000 1.142 956 D HN 0.364 nan 8.370 nan 0.000 0.575 957 S N -1.089 114.594 115.700 -0.030 0.000 2.607 957 S HA -0.057 4.413 4.470 -0.000 0.000 0.224 957 S C 0.568 175.171 174.600 0.005 0.000 0.969 957 S CA -0.102 58.087 58.200 -0.018 0.000 0.927 957 S CB -0.585 62.597 63.200 -0.030 0.000 0.772 957 S HN 0.454 nan 8.310 nan 0.000 0.533 958 N N 1.430 120.147 118.700 0.029 0.000 2.268 958 N HA 0.207 4.946 4.740 -0.000 0.000 0.204 958 N C 1.145 176.673 175.510 0.031 0.000 1.124 958 N CA 0.619 53.691 53.050 0.036 0.000 0.838 958 N CB 0.362 38.884 38.487 0.058 0.000 0.994 958 N HN 0.629 nan 8.380 nan 0.000 0.489 959 G N 1.097 109.911 108.800 0.023 0.000 2.168 959 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.257 959 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.257 959 G C 0.058 174.951 174.900 -0.011 0.000 0.997 959 G CA -0.131 44.970 45.100 0.002 0.000 0.708 959 G HN 0.307 nan 8.290 nan 0.000 0.520 960 N N -0.439 118.288 118.700 0.045 0.000 2.508 960 N HA 0.397 5.137 4.740 -0.000 0.000 0.264 960 N C 0.047 175.526 175.510 -0.052 0.000 1.216 960 N CA 0.271 53.305 53.050 -0.028 0.000 0.943 960 N CB 1.712 40.339 38.487 0.234 0.000 1.113 960 N HN 0.125 nan 8.380 nan 0.000 0.447 961 V N 1.969 121.723 119.914 -0.267 0.000 2.531 961 V HA 0.334 4.453 4.120 -0.000 0.000 0.301 961 V C 0.002 175.892 176.094 -0.340 0.000 1.034 961 V CA -0.805 61.351 62.300 -0.240 0.000 0.865 961 V CB 2.018 33.728 31.823 -0.189 0.000 0.995 961 V HN 0.273 nan 8.190 nan 0.000 0.424 962 V N 5.403 125.094 119.914 -0.373 0.000 2.513 962 V HA 0.591 4.710 4.120 -0.000 0.000 0.299 962 V C -0.379 175.589 176.094 -0.210 0.000 1.035 962 V CA -0.531 61.571 62.300 -0.330 0.000 0.889 962 V CB 2.134 33.600 31.823 -0.595 0.000 0.988 962 V HN 0.622 nan 8.190 nan 0.000 0.440 963 V N 5.324 125.157 119.914 -0.134 0.000 2.483 963 V HA 0.518 4.638 4.120 -0.000 0.000 0.297 963 V C -0.451 175.587 176.094 -0.093 0.000 1.027 963 V CA -0.603 61.627 62.300 -0.118 0.000 0.855 963 V CB 1.979 33.747 31.823 -0.093 0.000 0.995 963 V HN 0.581 nan 8.190 nan 0.000 0.424 964 V N 3.639 123.478 119.914 -0.125 0.000 2.448 964 V HA 0.620 4.739 4.120 -0.000 0.000 0.295 964 V C -0.036 175.988 176.094 -0.117 0.000 1.025 964 V CA -0.173 62.060 62.300 -0.112 0.000 0.859 964 V CB 1.926 33.662 31.823 -0.145 0.000 0.988 964 V HN 0.908 nan 8.190 nan 0.000 0.431 965 S N 4.256 119.909 115.700 -0.079 0.000 2.532 965 S HA 0.574 5.043 4.470 -0.000 0.000 0.299 965 S C -0.390 174.170 174.600 -0.065 0.000 1.105 965 S CA -0.748 57.412 58.200 -0.067 0.000 1.018 965 S CB 1.825 64.999 63.200 -0.044 0.000 1.021 965 S HN 0.725 nan 8.310 nan 0.000 0.483 966 R N 1.117 121.570 120.500 -0.078 0.000 2.357 966 R HA 0.401 4.740 4.340 -0.000 0.000 0.296 966 R C 1.472 177.732 176.300 -0.067 0.000 1.052 966 R CA -0.061 55.974 56.100 -0.108 0.000 0.988 966 R CB 0.400 30.592 30.300 -0.180 0.000 1.025 966 R HN 0.873 nan 8.270 nan 0.000 0.469 967 G N 1.391 110.158 108.800 -0.054 0.000 2.418 967 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 967 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 967 G C 0.222 175.125 174.900 0.005 0.000 1.158 967 G CA 0.875 45.967 45.100 -0.014 0.000 0.771 967 G HN 0.550 nan 8.290 nan 0.000 0.545 968 S N -1.715 113.991 115.700 0.009 0.000 2.537 968 S HA 0.391 4.861 4.470 -0.000 0.000 0.270 968 S C -0.193 174.474 174.600 0.112 0.000 1.142 968 S CA -0.711 57.530 58.200 0.068 0.000 0.870 968 S CB 1.405 64.670 63.200 0.109 0.000 1.112 968 S HN 0.007 nan 8.310 nan 0.000 0.466 969 N N 1.926 120.718 118.700 0.154 0.000 2.398 969 N HA 0.135 4.875 4.740 -0.000 0.000 0.188 969 N C -0.658 175.081 175.510 0.382 0.000 1.122 969 N CA 0.246 53.456 53.050 0.268 0.000 0.866 969 N CB 0.047 38.638 38.487 0.173 0.000 0.970 969 N HN 0.620 nan 8.380 nan 0.000 0.462 970 D N -0.228 120.347 120.400 0.292 0.000 2.347 970 D HA 0.056 4.696 4.640 -0.000 0.000 0.235 970 D C 1.080 177.426 176.300 0.076 0.000 1.149 970 D CA -0.108 53.981 54.000 0.148 0.000 0.850 970 D CB 0.809 41.666 40.800 0.095 0.000 1.061 970 D HN 0.166 nan 8.370 nan 0.000 0.487 971 T N 0.022 114.453 114.554 -0.206 0.000 2.977 971 T HA -0.167 4.183 4.350 -0.000 0.000 0.271 971 T C 1.559 176.155 174.700 -0.174 0.000 1.105 971 T CA 1.181 62.990 62.100 -0.486 0.000 1.116 971 T CB -0.228 68.296 68.868 -0.574 0.000 0.878 971 T HN 0.290 nan 8.240 nan 0.000 0.509 972 S N 0.279 115.936 115.700 -0.071 0.000 2.593 972 S HA 0.236 4.706 4.470 -0.000 0.000 0.217 972 S C 0.914 175.523 174.600 0.014 0.000 0.966 972 S CA -0.316 57.868 58.200 -0.026 0.000 0.914 972 S CB -0.203 62.984 63.200 -0.020 0.000 0.776 972 S HN 0.454 nan 8.310 nan 0.000 0.523 973 S N 0.623 116.352 115.700 0.048 0.000 2.565 973 S HA 0.645 5.115 4.470 -0.000 0.000 0.274 973 S C 1.306 175.960 174.600 0.089 0.000 1.309 973 S CA -0.137 58.105 58.200 0.071 0.000 1.043 973 S CB 1.032 64.290 63.200 0.097 0.000 0.939 973 S HN 0.510 nan 8.310 nan 0.000 0.504 974 A N 4.107 126.966 122.820 0.066 0.000 2.076 974 A HA 0.098 4.418 4.320 -0.000 0.000 0.220 974 A C 2.092 179.727 177.584 0.085 0.000 1.160 974 A CA 1.708 53.784 52.037 0.065 0.000 0.653 974 A CB -0.986 18.039 19.000 0.042 0.000 0.801 974 A HN 1.189 nan 8.150 nan 0.000 0.455 975 A N -2.297 120.576 122.820 0.089 0.000 2.208 975 A HA 0.140 4.460 4.320 -0.000 0.000 0.209 975 A C 1.781 179.424 177.584 0.098 0.000 1.161 975 A CA 0.819 52.901 52.037 0.076 0.000 0.782 975 A CB -0.625 18.407 19.000 0.054 0.000 0.816 975 A HN 0.634 nan 8.150 nan 0.000 0.477 976 Y N 0.725 121.045 120.300 0.033 0.000 2.224 976 Y HA -0.154 4.396 4.550 -0.000 0.000 0.289 976 Y C 2.186 178.114 175.900 0.046 0.000 1.146 976 Y CA 1.865 59.990 58.100 0.042 0.000 1.182 976 Y CB 0.006 38.491 38.460 0.042 0.000 0.983 976 Y HN 0.250 nan 8.280 nan 0.000 0.524 977 R N 0.274 120.876 120.500 0.171 0.000 2.317 977 R HA 0.064 4.403 4.340 -0.000 0.000 0.208 977 R C -0.036 176.293 176.300 0.049 0.000 0.914 977 R CA -0.007 56.158 56.100 0.109 0.000 1.060 977 R CB 0.079 30.463 30.300 0.140 0.000 1.015 977 R HN 0.395 nan 8.270 nan 0.000 0.498 978 Q N 1.326 121.143 119.800 0.029 0.000 2.286 978 Q HA 0.199 4.539 4.340 -0.000 0.000 0.257 978 Q C -0.395 175.602 176.000 -0.006 0.000 0.941 978 Q CA 0.151 55.966 55.803 0.020 0.000 0.912 978 Q CB 1.455 30.205 28.738 0.019 0.000 1.192 978 Q HN 0.025 nan 8.270 nan 0.000 0.410 979 R N 1.572 122.079 120.500 0.012 0.000 2.628 979 R HA 0.448 4.788 4.340 -0.000 0.000 0.288 979 R C -1.292 175.021 176.300 0.022 0.000 0.980 979 R CA -0.315 55.785 56.100 0.000 0.000 0.891 979 R CB 1.689 31.991 30.300 0.004 0.000 1.188 979 R HN 0.509 nan 8.270 nan 0.000 0.450 980 T N 5.163 119.722 114.554 0.008 0.000 2.823 980 T HA 0.497 4.846 4.350 -0.000 0.000 0.279 980 T C -0.156 174.553 174.700 0.016 0.000 0.998 980 T CA -0.460 61.656 62.100 0.026 0.000 0.994 980 T CB 0.936 69.811 68.868 0.013 0.000 0.960 980 T HN 0.403 nan 8.240 nan 0.000 0.448 981 I N 3.214 123.808 120.570 0.040 0.000 2.406 981 I HA 0.422 4.592 4.170 -0.000 0.000 0.290 981 I C 0.489 176.637 176.117 0.051 0.000 0.999 981 I CA -0.844 60.472 61.300 0.026 0.000 1.124 981 I CB 2.013 40.019 38.000 0.010 0.000 1.289 981 I HN 0.655 nan 8.210 nan 0.000 0.441 982 T N 2.381 116.958 114.554 0.039 0.000 2.885 982 T HA 0.629 4.979 4.350 -0.000 0.000 0.285 982 T C -0.909 173.855 174.700 0.107 0.000 1.019 982 T CA -0.656 61.481 62.100 0.062 0.000 1.010 982 T CB 2.178 71.055 68.868 0.016 0.000 1.022 982 T HN 0.319 nan 8.240 nan 0.000 0.466 983 F N 2.946 122.886 119.950 -0.018 0.000 2.499 983 F HA 0.450 4.977 4.527 -0.000 0.000 0.333 983 F C 0.144 175.933 175.800 -0.018 0.000 1.138 983 F CA -0.855 57.133 58.000 -0.019 0.000 0.945 983 F CB 0.777 39.828 39.000 0.085 0.000 1.181 983 F HN 0.768 nan 8.300 nan 0.000 0.435 984 N N 4.458 122.797 118.700 -0.602 0.000 2.714 984 N HA -0.210 4.530 4.740 -0.000 0.000 0.252 984 N C 1.037 176.435 175.510 -0.187 0.000 1.014 984 N CA 1.514 54.305 53.050 -0.432 0.000 0.735 984 N CB -1.171 36.986 38.487 -0.551 0.000 0.924 984 N HN 1.378 nan 8.380 nan 0.000 0.540 985 G N -3.191 105.535 108.800 -0.123 0.000 2.179 985 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.260 985 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.260 985 G C 0.028 174.919 174.900 -0.014 0.000 0.977 985 G CA 0.380 45.444 45.100 -0.060 0.000 0.641 985 G HN 0.505 nan 8.290 nan 0.000 0.533 986 V N 1.177 121.103 119.914 0.020 0.000 2.435 986 V HA 0.466 4.586 4.120 -0.000 0.000 0.290 986 V C 0.813 176.971 176.094 0.107 0.000 1.030 986 V CA -0.858 61.481 62.300 0.066 0.000 0.881 986 V CB 1.792 33.670 31.823 0.090 0.000 0.983 986 V HN 0.371 nan 8.190 nan 0.000 0.445 987 K N 2.938 123.404 120.400 0.111 0.000 2.412 987 K HA 0.188 4.507 4.320 -0.000 0.000 0.284 987 K C 0.613 177.386 176.600 0.289 0.000 1.046 987 K CA 0.099 56.480 56.287 0.158 0.000 0.999 987 K CB 0.812 33.378 32.500 0.110 0.000 0.941 987 K HN 0.684 nan 8.250 nan 0.000 0.474 988 V N 0.656 120.709 119.914 0.231 0.000 3.502 988 V HA 0.484 4.603 4.120 -0.000 0.000 0.288 988 V C -0.013 176.158 176.094 0.129 0.000 1.461 988 V CA 0.230 62.607 62.300 0.129 0.000 1.029 988 V CB 0.267 32.038 31.823 -0.086 0.000 0.843 988 V HN 0.630 nan 8.190 nan 0.000 0.438 989 A N -0.357 122.617 122.820 0.257 0.000 2.589 989 A HA 0.853 5.172 4.320 -0.000 0.000 0.296 989 A C -0.727 177.024 177.584 0.278 0.000 1.062 989 A CA 0.188 52.405 52.037 0.300 0.000 0.686 989 A CB 1.879 20.960 19.000 0.134 0.000 1.282 989 A HN 0.676 nan 8.150 nan 0.000 0.404 990 S N 0.214 116.094 115.700 0.299 0.000 2.543 990 S HA 0.825 5.295 4.470 -0.000 0.000 0.273 990 S C -0.145 174.541 174.600 0.144 0.000 1.152 990 S CA 0.984 59.284 58.200 0.166 0.000 0.910 990 S CB 1.139 64.398 63.200 0.098 0.000 1.105 990 S HN 2.885 nan 8.310 nan 0.000 0.465 991 G N 1.714 110.571 108.800 0.095 0.000 2.280 991 G HA2 0.143 4.103 3.960 -0.000 0.000 0.277 991 G HA3 0.143 4.103 3.960 -0.000 0.000 0.277 991 G C -1.788 173.158 174.900 0.077 0.000 1.288 991 G CA -0.131 45.016 45.100 0.078 0.000 1.075 991 G HN 1.360 nan 8.290 nan 0.000 0.480 992 V N 0.263 120.222 119.914 0.075 0.000 2.448 992 V HA 0.625 4.745 4.120 -0.000 0.000 0.295 992 V C 0.642 176.786 176.094 0.084 0.000 1.025 992 V CA -0.611 61.733 62.300 0.074 0.000 0.859 992 V CB 1.302 33.162 31.823 0.061 0.000 0.988 992 V HN 1.068 nan 8.190 nan 0.000 0.431 993 V N 4.854 124.825 119.914 0.095 0.000 2.686 993 V HA 0.239 4.359 4.120 -0.000 0.000 0.295 993 V C 0.847 176.993 176.094 0.088 0.000 1.055 993 V CA 0.225 62.578 62.300 0.087 0.000 1.050 993 V CB 1.922 33.810 31.823 0.108 0.000 0.984 993 V HN 1.040 nan 8.190 nan 0.000 0.482 994 S N 5.211 120.944 115.700 0.055 0.000 2.563 994 S HA 0.244 4.713 4.470 -0.000 0.000 0.294 994 S C 0.428 175.109 174.600 0.136 0.000 1.279 994 S CA 0.083 58.325 58.200 0.069 0.000 1.069 994 S CB 0.571 63.806 63.200 0.059 0.000 0.828 994 S HN 1.260 nan 8.310 nan 0.000 0.497 995 A N 3.368 126.236 122.820 0.080 0.000 2.567 995 A HA 0.355 4.675 4.320 -0.000 0.000 0.240 995 A C 1.562 179.169 177.584 0.038 0.000 1.053 995 A CA 0.066 52.125 52.037 0.037 0.000 0.755 995 A CB -0.193 18.775 19.000 -0.053 0.000 0.978 995 A HN 1.042 nan 8.150 nan 0.000 0.507 996 G N 1.324 110.107 108.800 -0.029 0.000 2.559 996 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.216 996 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.216 996 G C 0.568 175.346 174.900 -0.204 0.000 1.126 996 G CA 1.043 46.053 45.100 -0.151 0.000 0.778 996 G HN 0.897 nan 8.290 nan 0.000 0.543 997 D N -1.307 118.776 120.400 -0.528 0.000 2.342 997 D HA 0.244 4.884 4.640 -0.000 0.000 0.221 997 D C 1.649 177.731 176.300 -0.362 0.000 1.101 997 D CA 0.189 53.631 54.000 -0.929 0.000 0.837 997 D CB -0.421 39.406 40.800 -1.620 0.000 0.938 997 D HN 0.312 nan 8.370 nan 0.000 0.508 998 G N 0.440 109.138 108.800 -0.170 0.000 2.179 998 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.260 998 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.260 998 G C 1.144 176.002 174.900 -0.071 0.000 0.977 998 G CA 0.759 45.817 45.100 -0.071 0.000 0.641 998 G HN 0.702 nan 8.290 nan 0.000 0.533 999 S N -1.010 114.624 115.700 -0.111 0.000 2.558 999 S HA 0.690 5.160 4.470 -0.000 0.000 0.217 999 S C 0.834 175.405 174.600 -0.048 0.000 0.975 999 S CA 1.123 59.273 58.200 -0.084 0.000 0.912 999 S CB 0.535 63.665 63.200 -0.116 0.000 0.776 999 S HN 2.153 nan 8.310 nan 0.000 0.526 1000 A N 1.443 124.244 122.820 -0.031 0.000 2.534 1000 A HA 0.532 4.852 4.320 -0.000 0.000 0.300 1000 A C -0.138 177.450 177.584 0.006 0.000 1.054 1000 A CA -0.548 51.482 52.037 -0.012 0.000 0.858 1000 A CB 0.159 19.151 19.000 -0.013 0.000 1.333 1000 A HN 0.451 nan 8.150 nan 0.000 0.391 1001 T N 0.722 115.281 114.554 0.009 0.000 2.918 1001 T HA 0.604 4.954 4.350 -0.000 0.000 0.302 1001 T C 0.817 175.529 174.700 0.021 0.000 1.045 1001 T CA 0.357 62.468 62.100 0.018 0.000 1.114 1001 T CB 1.429 70.302 68.868 0.009 0.000 0.965 1001 T HN 1.559 nan 8.240 nan 0.000 0.540 1002 G N 0.793 109.613 108.800 0.034 0.000 2.736 1002 G HA2 0.516 4.476 3.960 -0.000 0.000 0.229 1002 G HA3 0.516 4.476 3.960 -0.000 0.000 0.229 1002 G C -0.243 174.673 174.900 0.027 0.000 1.380 1002 G CA -0.266 44.857 45.100 0.039 0.000 1.040 1002 G HN 0.822 nan 8.290 nan 0.000 0.568 1003 D N -1.890 118.532 120.400 0.037 0.000 2.538 1003 D HA 0.048 4.687 4.640 -0.000 0.000 0.241 1003 D C 0.359 176.689 176.300 0.050 0.000 1.297 1003 D CA -0.369 53.644 54.000 0.023 0.000 0.804 1003 D CB -0.319 40.490 40.800 0.014 0.000 1.122 1003 D HN 0.416 nan 8.370 nan 0.000 0.519 1004 E N 0.685 120.941 120.200 0.092 0.000 2.452 1004 E HA 0.203 4.553 4.350 -0.000 0.000 0.261 1004 E C -0.651 176.040 176.600 0.152 0.000 0.987 1004 E CA 0.312 56.802 56.400 0.150 0.000 0.926 1004 E CB 0.533 30.351 29.700 0.196 0.000 0.934 1004 E HN 0.014 nan 8.360 nan 0.000 0.452 1005 S N 2.500 118.324 115.700 0.206 0.000 2.566 1005 S HA 0.585 5.055 4.470 -0.000 0.000 0.298 1005 S C -1.487 173.331 174.600 0.364 0.000 1.083 1005 S CA -0.653 57.673 58.200 0.210 0.000 0.978 1005 S CB 0.918 64.341 63.200 0.371 0.000 1.073 1005 S HN 0.498 nan 8.310 nan 0.000 0.491 1006 Y N -0.078 120.283 120.300 0.102 0.000 2.597 1006 Y HA 0.826 5.376 4.550 -0.000 0.000 0.340 1006 Y C -1.674 173.888 175.900 -0.563 0.000 1.097 1006 Y CA -1.589 56.382 58.100 -0.215 0.000 1.037 1006 Y CB 0.816 39.216 38.460 -0.101 0.000 1.305 1006 Y HN 0.424 nan 8.280 nan 0.000 0.463 1007 L N 3.386 124.244 121.223 -0.609 0.000 2.490 1007 L HA 0.543 4.883 4.340 -0.000 0.000 0.256 1007 L C -1.953 174.714 176.870 -0.338 0.000 1.089 1007 L CA -0.444 54.066 54.840 -0.550 0.000 0.916 1007 L CB 0.873 42.242 42.059 -1.150 0.000 1.188 1007 L HN 0.761 nan 8.230 nan 0.000 0.476 1008 L N 6.053 127.192 121.223 -0.141 0.000 2.264 1008 L HA 0.541 4.881 4.340 -0.000 0.000 0.289 1008 L C -1.981 174.803 176.870 -0.143 0.000 1.044 1008 L CA -1.727 52.911 54.840 -0.337 0.000 0.807 1008 L CB 1.442 43.225 42.059 -0.460 0.000 1.192 1008 L HN 0.384 nan 8.230 nan 0.000 0.425 1009 P HA -0.064 nan 4.420 nan 0.000 0.275 1009 P C -0.939 176.299 177.300 -0.104 0.000 1.276 1009 P CA -0.150 62.828 63.100 -0.203 0.000 0.782 1009 P CB 0.365 31.824 31.700 -0.401 0.000 0.851 1010 W N 6.734 127.956 121.300 -0.130 0.000 2.316 1010 W HA 0.228 4.888 4.660 -0.000 0.000 0.339 1010 W C 0.117 176.398 176.519 -0.396 0.000 1.002 1010 W CA -0.538 56.748 57.345 -0.098 0.000 1.465 1010 W CB 0.760 30.406 29.460 0.310 0.000 1.300 1010 W HN 0.389 nan 8.180 nan 0.000 0.378 1011 M N 3.974 122.786 119.600 -1.314 0.000 2.495 1011 M HA 0.110 4.590 4.480 -0.000 0.000 0.237 1011 M C 0.140 175.942 176.300 -0.830 0.000 1.131 1011 M CA 0.722 55.390 55.300 -1.053 0.000 1.032 1011 M CB 0.332 32.170 32.600 -1.269 0.000 1.513 1011 M HN 0.075 nan 8.290 nan 0.000 0.488 1012 W N 1.773 122.935 121.300 -0.231 0.000 2.706 1012 W HA 0.354 5.013 4.660 -0.000 0.000 0.346 1012 W C -0.367 176.218 176.519 0.110 0.000 1.071 1012 W CA -1.695 55.581 57.345 -0.115 0.000 1.206 1012 W CB 0.494 29.794 29.460 -0.268 0.000 1.413 1012 W HN 0.061 nan 8.180 nan 0.000 0.542 1013 D N -0.605 119.993 120.400 0.330 0.000 2.377 1013 D HA 0.113 4.753 4.640 -0.000 0.000 0.245 1013 D C 0.467 176.868 176.300 0.168 0.000 1.196 1013 D CA -0.371 53.781 54.000 0.252 0.000 0.962 1013 D CB 0.761 41.741 40.800 0.300 0.000 1.127 1013 D HN 0.055 nan 8.370 nan 0.000 0.471 1014 S N -0.387 115.204 115.700 -0.181 0.000 2.634 1014 S HA 0.180 4.649 4.470 -0.000 0.000 0.221 1014 S C -0.000 174.274 174.600 -0.543 0.000 0.952 1014 S CA -0.383 57.611 58.200 -0.342 0.000 0.930 1014 S CB -0.560 62.367 63.200 -0.455 0.000 0.780 1014 S HN 0.367 nan 8.310 nan 0.000 0.498 1015 F N 1.477 121.486 119.950 0.097 0.000 2.393 1015 F HA 0.161 4.688 4.527 -0.000 0.000 0.205 1015 F C 2.644 178.463 175.800 0.032 0.000 1.104 1015 F CA 0.498 58.527 58.000 0.047 0.000 1.070 1015 F CB -1.175 37.847 39.000 0.037 0.000 1.368 1015 F HN 0.070 nan 8.300 nan 0.000 0.607 1016 T N -1.877 112.824 114.554 0.244 0.000 3.148 1016 T HA 0.345 4.695 4.350 -0.000 0.000 0.253 1016 T C 1.389 176.139 174.700 0.083 0.000 1.134 1016 T CA 0.489 62.657 62.100 0.112 0.000 1.051 1016 T CB -0.512 68.406 68.868 0.084 0.000 0.959 1016 T HN 0.920 nan 8.240 nan 0.000 0.525 1017 G N 1.392 110.275 108.800 0.139 0.000 2.160 1017 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.244 1017 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.244 1017 G C -0.111 174.914 174.900 0.208 0.000 1.022 1017 G CA -0.000 45.192 45.100 0.154 0.000 0.741 1017 G HN 0.665 nan 8.290 nan 0.000 0.508 1018 K N -0.563 119.954 120.400 0.195 0.000 2.138 1018 K HA 0.550 4.870 4.320 -0.000 0.000 0.251 1018 K C 1.200 177.915 176.600 0.192 0.000 1.015 1018 K CA -0.690 55.702 56.287 0.174 0.000 0.917 1018 K CB 0.761 33.333 32.500 0.119 0.000 1.021 1018 K HN 0.220 nan 8.250 nan 0.000 0.485 1019 L N 2.252 123.549 121.223 0.124 0.000 2.490 1019 L HA 0.008 4.348 4.340 -0.000 0.000 0.274 1019 L C 0.354 177.245 176.870 0.036 0.000 1.201 1019 L CA -0.419 54.437 54.840 0.026 0.000 0.869 1019 L CB 0.114 42.167 42.059 -0.009 0.000 1.123 1019 L HN 0.390 nan 8.230 nan 0.000 0.484 1020 V N 0.458 120.377 119.914 0.009 0.000 3.036 1020 V HA 0.289 4.409 4.120 -0.000 0.000 0.308 1020 V C 0.435 176.538 176.094 0.014 0.000 1.070 1020 V CA -1.321 61.005 62.300 0.043 0.000 1.056 1020 V CB 0.734 32.598 31.823 0.069 0.000 1.084 1020 V HN 0.625 nan 8.190 nan 0.000 0.471 1021 K N 1.943 122.358 120.400 0.025 0.000 2.511 1021 K HA -0.127 4.193 4.320 -0.000 0.000 0.277 1021 K C 1.189 177.779 176.600 -0.017 0.000 1.025 1021 K CA 0.987 57.277 56.287 0.006 0.000 1.112 1021 K CB -0.009 32.499 32.500 0.013 0.000 0.859 1021 K HN 0.972 nan 8.250 nan 0.000 0.485 1022 D N 2.220 122.600 120.400 -0.034 0.000 2.220 1022 D HA -0.195 4.445 4.640 -0.000 0.000 0.198 1022 D C 1.129 177.363 176.300 -0.109 0.000 1.001 1022 D CA 1.977 55.937 54.000 -0.067 0.000 0.875 1022 D CB 0.318 41.081 40.800 -0.062 0.000 0.921 1022 D HN 0.598 nan 8.370 nan 0.000 0.454 1023 S N -0.377 115.277 115.700 -0.076 0.000 2.522 1023 S HA -0.107 4.363 4.470 -0.000 0.000 0.227 1023 S C 1.468 176.054 174.600 -0.023 0.000 0.986 1023 S CA 0.460 58.613 58.200 -0.079 0.000 0.929 1023 S CB -0.019 63.150 63.200 -0.050 0.000 0.769 1023 S HN 0.545 nan 8.310 nan 0.000 0.529 1024 E N 0.441 120.651 120.200 0.017 0.000 2.558 1024 E HA 0.244 4.594 4.350 -0.000 0.000 0.205 1024 E C -0.106 176.535 176.600 0.069 0.000 1.006 1024 E CA -0.553 55.916 56.400 0.114 0.000 0.961 1024 E CB -0.012 29.774 29.700 0.143 0.000 1.044 1024 E HN 0.323 nan 8.360 nan 0.000 0.465 1025 Q N 2.448 122.240 119.800 -0.012 0.000 2.395 1025 Q HA 0.082 4.422 4.340 -0.000 0.000 0.271 1025 Q C -0.471 175.542 176.000 0.021 0.000 1.026 1025 Q CA 0.728 56.533 55.803 0.004 0.000 0.900 1025 Q CB 0.844 29.608 28.738 0.043 0.000 1.266 1025 Q HN 0.329 nan 8.270 nan 0.000 0.430 1026 K N 1.122 121.526 120.400 0.008 0.000 2.522 1026 K HA 0.646 4.966 4.320 -0.000 0.000 0.275 1026 K C -1.454 175.086 176.600 -0.100 0.000 1.006 1026 K CA -0.883 55.306 56.287 -0.164 0.000 0.890 1026 K CB 1.080 33.107 32.500 -0.788 0.000 1.475 1026 K HN 0.425 nan 8.250 nan 0.000 0.441 1027 L N 1.186 122.276 121.223 -0.220 0.000 2.362 1027 L HA 0.496 4.836 4.340 -0.000 0.000 0.271 1027 L C -1.217 175.527 176.870 -0.209 0.000 1.002 1027 L CA -1.195 53.516 54.840 -0.214 0.000 0.818 1027 L CB 1.343 43.173 42.059 -0.381 0.000 1.298 1027 L HN 0.547 nan 8.230 nan 0.000 0.420 1028 Y N 0.313 120.667 120.300 0.089 0.000 2.320 1028 Y HA 0.390 4.939 4.550 -0.000 0.000 0.334 1028 Y C 0.001 176.046 175.900 0.242 0.000 1.055 1028 Y CA -0.160 58.064 58.100 0.208 0.000 1.143 1028 Y CB 1.091 39.733 38.460 0.304 0.000 1.193 1028 Y HN 0.449 nan 8.280 nan 0.000 0.477 1029 H N 3.544 122.739 119.070 0.209 0.000 2.469 1029 H HA 0.366 4.922 4.556 -0.000 0.000 0.342 1029 H C -1.569 173.788 175.328 0.048 0.000 1.115 1029 H CA -1.269 54.783 56.048 0.007 0.000 1.204 1029 H CB 1.019 30.722 29.762 -0.098 0.000 1.492 1029 H HN 0.768 nan 8.280 nan 0.000 0.499 1030 W N 6.016 126.645 121.300 -1.119 0.000 3.256 1030 W HA 0.324 4.984 4.660 -0.000 0.000 0.324 1030 W C -1.739 174.207 176.519 -0.956 0.000 1.196 1030 W CA -0.654 56.081 57.345 -1.017 0.000 1.206 1030 W CB 2.202 30.874 29.460 -1.314 0.000 1.385 1030 W HN 0.592 nan 8.180 nan 0.000 0.522 1031 N N 2.772 120.893 118.700 -0.965 0.000 2.558 1031 N HA 0.157 4.897 4.740 -0.000 0.000 0.285 1031 N C 0.362 175.465 175.510 -0.678 0.000 1.112 1031 N CA -0.066 52.629 53.050 -0.593 0.000 0.857 1031 N CB 1.747 40.014 38.487 -0.366 0.000 1.376 1031 N HN 0.348 nan 8.380 nan 0.000 0.526 1032 T N 2.487 116.772 114.554 -0.448 0.000 2.652 1032 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 1032 T C 1.331 175.874 174.700 -0.261 0.000 1.039 1032 T CA 1.492 63.395 62.100 -0.329 0.000 1.153 1032 T CB 0.179 69.024 68.868 -0.038 0.000 0.863 1032 T HN 0.489 nan 8.240 nan 0.000 0.428 1033 K N 0.336 120.633 120.400 -0.171 0.000 2.418 1033 K HA 0.339 4.659 4.320 -0.000 0.000 0.195 1033 K C 0.999 177.515 176.600 -0.141 0.000 1.035 1033 K CA 0.201 56.413 56.287 -0.125 0.000 1.003 1033 K CB 0.171 32.626 32.500 -0.075 0.000 0.793 1033 K HN 0.460 nan 8.250 nan 0.000 0.494 1034 G N 0.123 108.813 108.800 -0.184 0.000 2.733 1034 G HA2 0.173 4.133 3.960 -0.000 0.000 0.686 1034 G HA3 0.173 4.133 3.960 -0.000 0.000 0.686 1034 G C 0.038 174.885 174.900 -0.089 0.000 1.373 1034 G CA -0.683 44.328 45.100 -0.147 0.000 0.838 1034 G HN 0.571 nan 8.290 nan 0.000 0.588 1035 G N -1.212 107.549 108.800 -0.066 0.000 2.270 1035 G HA2 0.595 4.555 3.960 -0.000 0.000 0.268 1035 G HA3 0.595 4.555 3.960 -0.000 0.000 0.268 1035 G C -0.448 174.437 174.900 -0.025 0.000 1.312 1035 G CA 0.534 45.608 45.100 -0.043 0.000 1.050 1035 G HN 2.005 nan 8.290 nan 0.000 0.474 1036 T N 1.168 115.708 114.554 -0.023 0.000 2.812 1036 T HA 0.759 5.108 4.350 -0.000 0.000 0.282 1036 T C 0.013 174.702 174.700 -0.020 0.000 0.990 1036 T CA 0.345 62.433 62.100 -0.019 0.000 0.960 1036 T CB 1.411 70.255 68.868 -0.040 0.000 0.948 1036 T HN 1.371 nan 8.240 nan 0.000 0.438 1037 T N -0.210 114.353 114.554 0.015 0.000 2.903 1037 T HA 0.755 5.105 4.350 -0.000 0.000 0.299 1037 T C -0.642 173.972 174.700 -0.144 0.000 1.093 1037 T CA -0.816 61.240 62.100 -0.073 0.000 1.002 1037 T CB 1.932 70.838 68.868 0.063 0.000 1.127 1037 T HN 0.361 nan 8.240 nan 0.000 0.488 1038 T N 1.745 116.049 114.554 -0.415 0.000 2.841 1038 T HA 0.638 4.988 4.350 -0.000 0.000 0.283 1038 T C -1.538 172.813 174.700 -0.581 0.000 1.000 1038 T CA -0.519 61.394 62.100 -0.310 0.000 0.977 1038 T CB 0.710 69.460 68.868 -0.197 0.000 0.979 1038 T HN 0.678 nan 8.240 nan 0.000 0.446 1039 W N 0.778 122.023 121.300 -0.092 0.000 3.032 1039 W HA 0.464 5.124 4.660 -0.000 0.000 0.335 1039 W C -0.250 176.219 176.519 -0.082 0.000 1.154 1039 W CA -0.818 56.475 57.345 -0.087 0.000 1.204 1039 W CB 1.261 30.649 29.460 -0.120 0.000 1.416 1039 W HN 0.375 nan 8.180 nan 0.000 0.521 1040 T N 3.843 118.495 114.554 0.163 0.000 2.749 1040 T HA 0.413 4.763 4.350 -0.000 0.000 0.295 1040 T C 0.278 175.013 174.700 0.059 0.000 0.936 1040 T CA -0.471 61.680 62.100 0.085 0.000 1.060 1040 T CB 0.096 68.999 68.868 0.058 0.000 0.904 1040 T HN 0.084 nan 8.240 nan 0.000 0.500 1041 L N 4.913 126.137 121.223 0.003 0.000 2.464 1041 L HA 0.305 4.645 4.340 -0.000 0.000 0.264 1041 L C -1.779 175.048 176.870 -0.071 0.000 1.199 1041 L CA -2.086 52.675 54.840 -0.131 0.000 0.818 1041 L CB -0.159 41.843 42.059 -0.094 0.000 1.102 1041 L HN 0.361 nan 8.230 nan 0.000 0.473 1042 P HA -0.028 nan 4.420 nan 0.000 0.270 1042 P C -0.012 177.402 177.300 0.189 0.000 1.223 1042 P CA -0.142 62.994 63.100 0.060 0.000 0.785 1042 P CB 0.495 32.244 31.700 0.082 0.000 0.923 1043 D N 0.660 121.169 120.400 0.181 0.000 2.133 1043 D HA -0.200 4.440 4.640 -0.000 0.000 0.195 1043 D C 1.514 177.926 176.300 0.187 0.000 0.997 1043 D CA 2.044 56.133 54.000 0.149 0.000 0.840 1043 D CB -0.163 40.696 40.800 0.098 0.000 0.947 1043 D HN 0.336 nan 8.370 nan 0.000 0.452 1044 S N -1.445 114.407 115.700 0.252 0.000 2.555 1044 S HA -0.076 4.394 4.470 -0.000 0.000 0.230 1044 S C 1.155 175.867 174.600 0.186 0.000 0.978 1044 S CA 0.089 58.402 58.200 0.187 0.000 0.934 1044 S CB -0.545 62.741 63.200 0.143 0.000 0.766 1044 S HN 0.427 nan 8.310 nan 0.000 0.533 1045 W N 2.633 123.947 121.300 0.023 0.000 3.220 1045 W HA 0.372 5.031 4.660 -0.000 0.000 0.328 1045 W C 1.999 178.529 176.519 0.018 0.000 1.205 1045 W CA -0.730 56.626 57.345 0.017 0.000 1.773 1045 W CB 0.023 29.491 29.460 0.014 0.000 1.086 1045 W HN 0.430 nan 8.180 nan 0.000 0.622 1046 K N 0.207 120.746 120.400 0.231 0.000 2.211 1046 K HA -0.090 4.230 4.320 -0.000 0.000 0.203 1046 K C 0.691 177.352 176.600 0.102 0.000 1.050 1046 K CA 1.653 58.029 56.287 0.147 0.000 0.945 1046 K CB -0.644 31.919 32.500 0.105 0.000 0.732 1046 K HN 0.193 nan 8.250 nan 0.000 0.451 1047 N N 0.560 119.310 118.700 0.084 0.000 2.280 1047 N HA 0.176 4.916 4.740 -0.000 0.000 0.192 1047 N C -0.467 175.071 175.510 0.046 0.000 1.109 1047 N CA -0.400 52.681 53.050 0.052 0.000 0.855 1047 N CB 0.227 38.733 38.487 0.032 0.000 0.974 1047 N HN 0.045 nan 8.380 nan 0.000 0.482 1048 L N 0.592 121.856 121.223 0.068 0.000 2.452 1048 L HA 0.091 4.431 4.340 -0.000 0.000 0.267 1048 L C 1.435 178.339 176.870 0.057 0.000 1.188 1048 L CA -0.165 54.708 54.840 0.054 0.000 0.821 1048 L CB 0.951 43.058 42.059 0.081 0.000 1.102 1048 L HN 0.172 nan 8.230 nan 0.000 0.470 1049 S N -1.239 114.485 115.700 0.039 0.000 2.503 1049 S HA 0.128 4.598 4.470 -0.000 0.000 0.215 1049 S C 0.470 175.093 174.600 0.038 0.000 1.003 1049 S CA 0.120 58.341 58.200 0.034 0.000 0.910 1049 S CB 0.180 63.392 63.200 0.020 0.000 0.790 1049 S HN 0.729 nan 8.310 nan 0.000 0.514 1050 S N 0.209 115.938 115.700 0.047 0.000 2.625 1050 S HA 0.786 5.256 4.470 -0.000 0.000 0.271 1050 S C -0.908 173.743 174.600 0.085 0.000 1.161 1050 S CA -0.294 57.937 58.200 0.051 0.000 0.820 1050 S CB 1.395 64.611 63.200 0.027 0.000 1.137 1050 S HN 1.031 nan 8.310 nan 0.000 0.470 1051 V N -1.714 118.255 119.914 0.093 0.000 3.102 1051 V HA 0.799 4.919 4.120 -0.000 0.000 0.312 1051 V C -1.424 174.719 176.094 0.082 0.000 1.135 1051 V CA -1.071 61.318 62.300 0.148 0.000 1.022 1051 V CB 1.876 33.847 31.823 0.247 0.000 1.056 1051 V HN 0.946 nan 8.190 nan 0.000 0.436 1052 K N 1.538 122.006 120.400 0.114 0.000 2.206 1052 K HA 0.753 5.073 4.320 -0.000 0.000 0.264 1052 K C -1.247 175.312 176.600 -0.067 0.000 0.967 1052 K CA -0.507 55.767 56.287 -0.022 0.000 0.844 1052 K CB 2.124 34.639 32.500 0.025 0.000 1.099 1052 K HN 0.658 nan 8.250 nan 0.000 0.441 1053 V N 3.989 123.742 119.914 -0.268 0.000 2.540 1053 V HA 0.418 4.538 4.120 -0.000 0.000 0.302 1053 V C -1.124 174.773 176.094 -0.328 0.000 1.035 1053 V CA -0.943 61.273 62.300 -0.141 0.000 0.873 1053 V CB 0.966 32.748 31.823 -0.067 0.000 0.992 1053 V HN 0.566 nan 8.190 nan 0.000 0.428 1054 Y N 1.924 122.358 120.300 0.223 0.000 2.409 1054 Y HA 0.510 5.060 4.550 -0.000 0.000 0.343 1054 Y C 0.241 176.268 175.900 0.211 0.000 0.973 1054 Y CA -0.619 57.596 58.100 0.192 0.000 1.064 1054 Y CB 1.756 40.307 38.460 0.152 0.000 1.207 1054 Y HN 0.579 nan 8.280 nan 0.000 0.452 1055 Q N 3.180 123.132 119.800 0.253 0.000 2.286 1055 Q HA 0.442 4.782 4.340 -0.000 0.000 0.257 1055 Q C -1.466 174.531 176.000 -0.006 0.000 0.941 1055 Q CA -0.431 55.326 55.803 -0.077 0.000 0.912 1055 Q CB 0.720 29.378 28.738 -0.133 0.000 1.192 1055 Q HN 0.718 nan 8.270 nan 0.000 0.410 1056 L N 4.058 125.233 121.223 -0.080 0.000 2.289 1056 L HA 0.470 4.810 4.340 -0.000 0.000 0.285 1056 L C 0.304 177.187 176.870 0.022 0.000 1.049 1056 L CA -0.300 54.563 54.840 0.039 0.000 0.804 1056 L CB 1.442 43.566 42.059 0.107 0.000 1.195 1056 L HN 0.819 nan 8.230 nan 0.000 0.428 1057 T N -2.897 111.706 114.554 0.082 0.000 2.742 1057 T HA 0.228 4.578 4.350 -0.000 0.000 0.282 1057 T C 0.442 175.235 174.700 0.155 0.000 1.025 1057 T CA -0.461 61.698 62.100 0.098 0.000 1.020 1057 T CB 1.377 70.287 68.868 0.070 0.000 1.317 1057 T HN 0.592 nan 8.240 nan 0.000 0.538 1058 D N -0.375 120.121 120.400 0.160 0.000 2.392 1058 D HA -0.077 4.563 4.640 -0.000 0.000 0.228 1058 D C 1.294 177.694 176.300 0.166 0.000 1.003 1058 D CA 0.734 54.828 54.000 0.156 0.000 0.917 1058 D CB -0.150 40.658 40.800 0.014 0.000 0.890 1058 D HN 0.413 nan 8.370 nan 0.000 0.532 1059 Q N -0.184 119.706 119.800 0.150 0.000 2.282 1059 Q HA 0.345 4.684 4.340 -0.000 0.000 0.206 1059 Q C 1.218 177.308 176.000 0.149 0.000 0.878 1059 Q CA 0.522 56.428 55.803 0.172 0.000 0.944 1059 Q CB 1.112 29.929 28.738 0.132 0.000 1.100 1059 Q HN 0.417 nan 8.270 nan 0.000 0.509 1060 G N 1.507 110.390 108.800 0.138 0.000 2.464 1060 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 1060 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 1060 G C -0.915 174.042 174.900 0.094 0.000 1.186 1060 G CA -0.866 44.301 45.100 0.112 0.000 1.010 1060 G HN 0.117 nan 8.290 nan 0.000 0.585 1061 K N 1.786 122.214 120.400 0.047 0.000 2.339 1061 K HA 0.521 4.841 4.320 -0.000 0.000 0.286 1061 K C 0.368 177.047 176.600 0.131 0.000 1.050 1061 K CA 0.688 57.005 56.287 0.051 0.000 0.956 1061 K CB 0.956 33.307 32.500 -0.248 0.000 0.990 1061 K HN 0.897 nan 8.250 nan 0.000 0.475 1062 T N -0.708 113.971 114.554 0.209 0.000 2.887 1062 T HA 0.279 4.629 4.350 -0.000 0.000 0.292 1062 T C -0.111 174.716 174.700 0.213 0.000 1.087 1062 T CA -1.011 61.198 62.100 0.181 0.000 1.009 1062 T CB 1.053 69.987 68.868 0.109 0.000 1.203 1062 T HN 0.637 nan 8.240 nan 0.000 0.518 1063 N N 0.647 119.435 118.700 0.148 0.000 2.738 1063 N HA -0.155 4.585 4.740 -0.000 0.000 0.249 1063 N C -0.084 175.464 175.510 0.064 0.000 1.047 1063 N CA 0.973 54.085 53.050 0.103 0.000 0.707 1063 N CB -1.035 37.511 38.487 0.099 0.000 0.937 1063 N HN 0.946 nan 8.380 nan 0.000 0.545 1064 E N 0.565 120.793 120.200 0.048 0.000 2.608 1064 E HA -0.089 4.261 4.350 -0.000 0.000 0.259 1064 E C -0.285 176.226 176.600 -0.150 0.000 0.951 1064 E CA 0.787 57.070 56.400 -0.197 0.000 0.945 1064 E CB 0.449 30.089 29.700 -0.101 0.000 0.916 1064 E HN 0.228 nan 8.360 nan 0.000 0.477 1065 Q N 2.303 121.974 119.800 -0.214 0.000 2.375 1065 Q HA 0.336 4.676 4.340 -0.000 0.000 0.271 1065 Q C -1.214 174.705 176.000 -0.134 0.000 1.074 1065 Q CA -0.784 54.946 55.803 -0.122 0.000 0.808 1065 Q CB 2.471 31.158 28.738 -0.084 0.000 1.327 1065 Q HN 0.404 nan 8.270 nan 0.000 0.441 1066 T N 1.574 116.081 114.554 -0.079 0.000 2.749 1066 T HA 0.439 4.789 4.350 -0.000 0.000 0.287 1066 T C -0.593 174.083 174.700 -0.039 0.000 0.970 1066 T CA -0.430 61.639 62.100 -0.053 0.000 0.980 1066 T CB 0.723 69.573 68.868 -0.031 0.000 0.924 1066 T HN 0.225 nan 8.240 nan 0.000 0.456 1067 V N 2.886 122.783 119.914 -0.029 0.000 2.448 1067 V HA 0.675 4.795 4.120 -0.000 0.000 0.295 1067 V C 0.501 176.594 176.094 -0.002 0.000 1.025 1067 V CA -1.264 61.021 62.300 -0.026 0.000 0.859 1067 V CB 1.501 33.298 31.823 -0.044 0.000 0.988 1067 V HN 1.081 nan 8.190 nan 0.000 0.431 1068 A N 4.653 127.471 122.820 -0.004 0.000 2.462 1068 A HA 0.542 4.861 4.320 -0.000 0.000 0.243 1068 A C -0.154 177.441 177.584 0.017 0.000 1.076 1068 A CA -0.049 51.992 52.037 0.008 0.000 0.773 1068 A CB 0.316 19.316 19.000 0.001 0.000 1.010 1068 A HN 0.725 nan 8.150 nan 0.000 0.493 1069 V N 2.305 122.238 119.914 0.033 0.000 2.427 1069 V HA 0.579 4.699 4.120 -0.000 0.000 0.286 1069 V C 0.433 176.546 176.094 0.032 0.000 1.034 1069 V CA -0.047 62.280 62.300 0.045 0.000 0.893 1069 V CB 1.419 33.289 31.823 0.078 0.000 0.982 1069 V HN 0.964 nan 8.190 nan 0.000 0.452 1070 S N 3.649 119.364 115.700 0.025 0.000 2.707 1070 S HA 0.602 5.072 4.470 -0.000 0.000 0.303 1070 S C 0.544 175.154 174.600 0.017 0.000 1.132 1070 S CA 0.277 58.487 58.200 0.016 0.000 1.046 1070 S CB 0.970 64.173 63.200 0.005 0.000 1.004 1070 S HN 2.016 nan 8.310 nan 0.000 0.483 1071 G N 3.008 111.820 108.800 0.020 0.000 2.305 1071 G HA2 0.019 3.979 3.960 -0.000 0.000 0.287 1071 G HA3 0.019 3.979 3.960 -0.000 0.000 0.287 1071 G C 1.284 176.201 174.900 0.028 0.000 1.036 1071 G CA 0.720 45.832 45.100 0.019 0.000 0.887 1071 G HN 2.342 nan 8.290 nan 0.000 0.505 1072 G N -1.739 107.087 108.800 0.043 0.000 2.162 1072 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 1072 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 1072 G C 0.307 175.238 174.900 0.053 0.000 0.976 1072 G CA 1.211 46.347 45.100 0.061 0.000 0.655 1072 G HN 1.034 nan 8.290 nan 0.000 0.533 1073 K N -0.193 120.230 120.400 0.039 0.000 2.259 1073 K HA 0.717 5.037 4.320 -0.000 0.000 0.249 1073 K C 0.073 176.691 176.600 0.030 0.000 0.942 1073 K CA -0.493 55.813 56.287 0.032 0.000 0.816 1073 K CB 2.966 35.472 32.500 0.010 0.000 1.155 1073 K HN 0.574 nan 8.250 nan 0.000 0.428 1074 V N -1.572 118.364 119.914 0.037 0.000 2.769 1074 V HA 0.580 4.700 4.120 -0.000 0.000 0.312 1074 V C -0.470 175.639 176.094 0.025 0.000 1.061 1074 V CA -0.670 61.642 62.300 0.019 0.000 0.931 1074 V CB 1.856 33.676 31.823 -0.005 0.000 1.010 1074 V HN 0.671 nan 8.190 nan 0.000 0.433 1075 T N 5.076 119.623 114.554 -0.011 0.000 2.794 1075 T HA 0.747 5.097 4.350 -0.000 0.000 0.280 1075 T C -0.501 174.164 174.700 -0.059 0.000 0.987 1075 T CA -0.237 61.847 62.100 -0.025 0.000 0.993 1075 T CB 0.963 69.806 68.868 -0.042 0.000 0.939 1075 T HN 0.646 nan 8.240 nan 0.000 0.449 1076 L N 2.614 123.795 121.223 -0.071 0.000 2.385 1076 L HA 0.521 4.861 4.340 -0.000 0.000 0.273 1076 L C 0.103 176.901 176.870 -0.120 0.000 0.990 1076 L CA -0.838 53.895 54.840 -0.178 0.000 0.821 1076 L CB 2.206 43.999 42.059 -0.443 0.000 1.279 1076 L HN 0.536 nan 8.230 nan 0.000 0.412 1077 T N 2.263 116.724 114.554 -0.156 0.000 2.795 1077 T HA 0.729 5.079 4.350 -0.000 0.000 0.282 1077 T C -0.325 174.246 174.700 -0.215 0.000 0.980 1077 T CA -0.452 61.575 62.100 -0.122 0.000 1.012 1077 T CB 1.579 70.394 68.868 -0.088 0.000 0.936 1077 T HN 0.652 nan 8.240 nan 0.000 0.457 1078 A N 3.224 125.960 122.820 -0.139 0.000 2.393 1078 A HA 0.660 4.980 4.320 -0.000 0.000 0.306 1078 A C -0.632 176.940 177.584 -0.021 0.000 1.050 1078 A CA -0.938 51.005 52.037 -0.156 0.000 0.724 1078 A CB 0.891 19.810 19.000 -0.135 0.000 1.248 1078 A HN 0.683 nan 8.150 nan 0.000 0.424 1079 D N 1.534 121.992 120.400 0.096 0.000 2.378 1079 D HA 0.394 5.034 4.640 -0.000 0.000 0.238 1079 D C 0.874 177.093 176.300 -0.136 0.000 1.180 1079 D CA 0.854 54.849 54.000 -0.010 0.000 0.895 1079 D CB 0.809 41.611 40.800 0.003 0.000 1.192 1079 D HN 0.773 nan 8.370 nan 0.000 0.438 1080 A N 1.400 124.110 122.820 -0.183 0.000 2.511 1080 A HA 0.083 4.403 4.320 -0.000 0.000 0.242 1080 A C 0.530 177.845 177.584 -0.448 0.000 1.069 1080 A CA -0.021 51.838 52.037 -0.297 0.000 0.763 1080 A CB -0.302 18.579 19.000 -0.197 0.000 1.001 1080 A HN 0.675 nan 8.150 nan 0.000 0.498 1081 E N 0.018 119.723 120.200 -0.824 0.000 2.360 1081 E HA -0.170 4.180 4.350 -0.000 0.000 0.238 1081 E C -0.506 175.543 176.600 -0.917 0.000 1.186 1081 E CA 1.142 56.847 56.400 -1.158 0.000 0.719 1081 E CB -1.839 27.650 29.700 -0.352 0.000 1.236 1081 E HN 0.645 nan 8.360 nan 0.000 0.386 1082 T N 1.103 115.107 114.554 -0.915 0.000 2.879 1082 T HA 0.407 4.757 4.350 -0.000 0.000 0.290 1082 T C -2.525 171.908 174.700 -0.444 0.000 0.993 1082 T CA -1.324 60.494 62.100 -0.471 0.000 0.975 1082 T CB 2.062 70.728 68.868 -0.338 0.000 0.981 1082 T HN -0.061 nan 8.240 nan 0.000 0.439 1083 P HA 0.449 nan 4.420 nan 0.000 0.285 1083 P C -1.506 175.548 177.300 -0.410 0.000 1.259 1083 P CA -0.504 62.365 63.100 -0.385 0.000 0.794 1083 P CB 0.731 31.826 31.700 -1.008 0.000 0.940 1084 Y N 0.333 120.653 120.300 0.032 0.000 2.536 1084 Y HA 0.542 5.092 4.550 -0.000 0.000 0.347 1084 Y C 0.062 176.046 175.900 0.140 0.000 1.000 1084 Y CA -1.128 57.036 58.100 0.106 0.000 1.051 1084 Y CB 2.439 40.965 38.460 0.110 0.000 1.259 1084 Y HN 0.134 nan 8.280 nan 0.000 0.468 1085 V N 3.029 123.118 119.914 0.292 0.000 2.735 1085 V HA 0.748 4.867 4.120 -0.000 0.000 0.310 1085 V C -1.538 174.682 176.094 0.210 0.000 1.061 1085 V CA -0.701 61.651 62.300 0.087 0.000 0.913 1085 V CB 1.903 33.709 31.823 -0.029 0.000 1.005 1085 V HN 0.564 nan 8.190 nan 0.000 0.428 1086 V N 7.331 127.268 119.914 0.038 0.000 2.448 1086 V HA 0.561 4.681 4.120 -0.000 0.000 0.295 1086 V C -0.975 175.244 176.094 0.208 0.000 1.025 1086 V CA -0.535 61.853 62.300 0.147 0.000 0.859 1086 V CB 1.456 33.277 31.823 -0.003 0.000 0.988 1086 V HN 0.860 nan 8.190 nan 0.000 0.431 1087 Y N 2.325 122.820 120.300 0.324 0.000 2.587 1087 Y HA 0.418 4.967 4.550 -0.000 0.000 0.337 1087 Y C 1.331 177.339 175.900 0.181 0.000 1.065 1087 Y CA -0.896 57.373 58.100 0.282 0.000 1.126 1087 Y CB 2.062 40.650 38.460 0.214 0.000 1.279 1087 Y HN 0.457 nan 8.280 nan 0.000 0.489 1088 K N 0.628 121.043 120.400 0.025 0.000 2.228 1088 K HA 0.158 4.477 4.320 -0.000 0.000 0.202 1088 K C 0.570 177.168 176.600 -0.003 0.000 1.051 1088 K CA 0.872 57.038 56.287 -0.201 0.000 0.960 1088 K CB 0.162 32.346 32.500 -0.527 0.000 0.743 1088 K HN 0.804 nan 8.250 nan 0.000 0.458 1089 G N 0.377 109.222 108.800 0.075 0.000 2.827 1089 G HA2 0.145 4.105 3.960 -0.000 0.000 0.296 1089 G HA3 0.145 4.105 3.960 -0.000 0.000 0.296 1089 G C -1.644 173.313 174.900 0.094 0.000 1.362 1089 G CA -0.699 44.436 45.100 0.058 0.000 0.809 1089 G HN 0.041 nan 8.290 nan 0.000 0.522 1090 E N -0.387 119.848 120.200 0.058 0.000 2.414 1090 E HA 0.440 4.789 4.350 -0.000 0.000 0.263 1090 E C 0.076 176.651 176.600 -0.041 0.000 1.000 1090 E CA -0.024 56.421 56.400 0.076 0.000 0.914 1090 E CB 0.647 30.375 29.700 0.047 0.000 0.948 1090 E HN 0.661 nan 8.360 nan 0.000 0.444 1091 A N 4.729 127.471 122.820 -0.129 0.000 2.374 1091 A HA 0.436 4.756 4.320 -0.000 0.000 0.317 1091 A C -0.797 176.548 177.584 -0.399 0.000 1.094 1091 A CA -0.845 50.894 52.037 -0.495 0.000 0.765 1091 A CB 1.171 19.400 19.000 -1.285 0.000 1.268 1091 A HN 0.595 nan 8.150 nan 0.000 0.438 1092 K N 1.610 121.825 120.400 -0.308 0.000 2.118 1092 K HA 0.264 4.584 4.320 -0.000 0.000 0.264 1092 K C -0.429 176.044 176.600 -0.211 0.000 1.000 1092 K CA -0.701 55.467 56.287 -0.198 0.000 0.929 1092 K CB 0.678 33.107 32.500 -0.118 0.000 1.021 1092 K HN 0.663 nan 8.250 nan 0.000 0.463 1093 Q N 1.842 121.559 119.800 -0.140 0.000 2.274 1093 Q HA 0.052 4.392 4.340 -0.000 0.000 0.280 1093 Q C 0.247 176.216 176.000 -0.053 0.000 1.047 1093 Q CA 0.288 56.035 55.803 -0.093 0.000 0.907 1093 Q CB 0.249 28.960 28.738 -0.045 0.000 1.171 1093 Q HN 0.464 nan 8.270 nan 0.000 0.381 1094 I N 3.029 123.584 120.570 -0.025 0.000 2.919 1094 I HA -0.226 3.944 4.170 -0.000 0.000 0.299 1094 I C 0.916 177.044 176.117 0.019 0.000 1.221 1094 I CA 0.474 61.788 61.300 0.022 0.000 1.424 1094 I CB 0.087 38.138 38.000 0.084 0.000 1.358 1094 I HN 0.392 nan 8.210 nan 0.000 0.551 1095 Q N 6.013 125.821 119.800 0.013 0.000 2.304 1095 Q HA 0.374 4.714 4.340 -0.000 0.000 0.260 1095 Q C -1.118 174.890 176.000 0.013 0.000 0.965 1095 Q CA -0.010 55.791 55.803 -0.004 0.000 0.898 1095 Q CB 1.214 29.941 28.738 -0.017 0.000 1.196 1095 Q HN 0.429 nan 8.270 nan 0.000 0.402 1096 V N 4.915 124.760 119.914 -0.116 0.000 2.525 1096 V HA 0.389 4.509 4.120 -0.000 0.000 0.299 1096 V C -0.949 174.914 176.094 -0.385 0.000 1.034 1096 V CA -0.909 61.194 62.300 -0.329 0.000 0.863 1096 V CB 2.007 33.410 31.823 -0.701 0.000 0.999 1096 V HN 0.824 nan 8.190 nan 0.000 0.423 1097 N N 4.413 122.943 118.700 -0.282 0.000 2.501 1097 N HA 0.382 5.122 4.740 -0.000 0.000 0.245 1097 N C -0.928 174.478 175.510 -0.175 0.000 0.974 1097 N CA -0.510 52.435 53.050 -0.175 0.000 0.941 1097 N CB 0.829 39.278 38.487 -0.065 0.000 1.122 1097 N HN 0.635 nan 8.380 nan 0.000 0.507 1098 W N 1.758 123.049 121.300 -0.016 0.000 2.210 1098 W HA 0.094 4.754 4.660 -0.000 0.000 0.330 1098 W C 0.646 177.137 176.519 -0.047 0.000 1.334 1098 W CA -0.079 57.247 57.345 -0.031 0.000 1.227 1098 W CB 0.515 29.960 29.460 -0.025 0.000 1.178 1098 W HN 0.493 nan 8.180 nan 0.000 0.560 1099 S N 0.836 116.676 115.700 0.233 0.000 3.812 1099 S HA -0.220 4.250 4.470 -0.000 0.000 0.341 1099 S C -0.290 174.323 174.600 0.022 0.000 1.057 1099 S CA 0.253 58.517 58.200 0.106 0.000 1.015 1099 S CB -1.957 61.286 63.200 0.072 0.000 0.893 1099 S HN 0.675 nan 8.310 nan 0.000 0.476 1100 E N 0.357 120.565 120.200 0.013 0.000 2.502 1100 E HA 0.295 4.645 4.350 -0.000 0.000 0.261 1100 E C 1.369 177.934 176.600 -0.057 0.000 0.974 1100 E CA 0.780 57.165 56.400 -0.024 0.000 0.936 1100 E CB 0.048 29.743 29.700 -0.009 0.000 0.926 1100 E HN 0.778 nan 8.360 nan 0.000 0.459 1101 G N 3.073 111.806 108.800 -0.113 0.000 2.184 1101 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.264 1101 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.264 1101 G C 0.701 175.393 174.900 -0.347 0.000 0.975 1101 G CA 0.565 45.551 45.100 -0.189 0.000 0.642 1101 G HN 0.544 nan 8.290 nan 0.000 0.536 1102 M N -0.143 119.301 119.600 -0.259 0.000 2.431 1102 M HA 0.238 4.718 4.480 -0.000 0.000 0.237 1102 M C 1.366 177.571 176.300 -0.159 0.000 1.130 1102 M CA 0.495 55.680 55.300 -0.192 0.000 1.002 1102 M CB -0.100 32.469 32.600 -0.051 0.000 1.524 1102 M HN 0.400 nan 8.290 nan 0.000 0.482 1103 H N -2.501 116.545 119.070 -0.041 0.000 3.898 1103 H HA -0.132 4.424 4.556 -0.000 0.000 0.171 1103 H C -0.126 175.133 175.328 -0.115 0.000 0.920 1103 H CA 0.905 56.908 56.048 -0.075 0.000 1.238 1103 H CB -1.356 28.356 29.762 -0.084 0.000 0.997 1103 H HN 0.395 nan 8.280 nan 0.000 0.380 1104 V N 0.676 120.557 119.914 -0.055 0.000 3.012 1104 V HA 0.480 4.600 4.120 -0.000 0.000 0.307 1104 V C -0.565 175.429 176.094 -0.167 0.000 1.166 1104 V CA -0.744 61.454 62.300 -0.171 0.000 0.974 1104 V CB 2.743 34.458 31.823 -0.180 0.000 1.040 1104 V HN 0.024 nan 8.190 nan 0.000 0.428 1105 V N 4.641 124.404 119.914 -0.251 0.000 2.461 1105 V HA 0.403 4.523 4.120 -0.000 0.000 0.275 1105 V C 0.211 176.241 176.094 -0.107 0.000 1.047 1105 V CA 0.267 62.486 62.300 -0.134 0.000 0.955 1105 V CB 0.996 32.747 31.823 -0.119 0.000 0.988 1105 V HN 1.115 nan 8.190 nan 0.000 0.471 1106 D N 4.078 124.510 120.400 0.054 0.000 2.848 1106 D HA -0.189 4.451 4.640 -0.000 0.000 0.245 1106 D C 1.050 177.281 176.300 -0.116 0.000 1.122 1106 D CA 0.839 54.843 54.000 0.006 0.000 0.769 1106 D CB -0.630 40.168 40.800 -0.003 0.000 1.025 1106 D HN 0.807 nan 8.370 nan 0.000 0.423 1107 A N 0.811 123.574 122.820 -0.096 0.000 2.121 1107 A HA 0.281 4.601 4.320 -0.000 0.000 0.218 1107 A C 2.097 179.516 177.584 -0.275 0.000 1.154 1107 A CA 1.596 53.563 52.037 -0.117 0.000 0.679 1107 A CB 0.136 19.128 19.000 -0.014 0.000 0.795 1107 A HN 0.648 nan 8.150 nan 0.000 0.458 1108 G N -3.015 105.620 108.800 -0.275 0.000 3.324 1108 G HA2 0.386 4.346 3.960 -0.000 0.000 0.251 1108 G HA3 0.386 4.346 3.960 -0.000 0.000 0.251 1108 G C 0.192 175.040 174.900 -0.088 0.000 1.072 1108 G CA -0.171 44.862 45.100 -0.112 0.000 0.787 1108 G HN 0.295 nan 8.290 nan 0.000 0.537 1109 F N -0.138 119.734 119.950 -0.130 0.000 3.074 1109 F HA -0.212 4.315 4.527 -0.000 0.000 0.287 1109 F C 1.064 176.666 175.800 -0.330 0.000 0.932 1109 F CA 0.715 58.598 58.000 -0.197 0.000 0.995 1109 F CB -2.321 36.581 39.000 -0.163 0.000 0.966 1109 F HN 0.276 nan 8.300 nan 0.000 0.721 1110 N N -0.402 117.961 118.700 -0.562 0.000 2.336 1110 N HA 0.169 4.908 4.740 -0.000 0.000 0.189 1110 N C 1.939 176.887 175.510 -0.937 0.000 1.113 1110 N CA 0.539 53.065 53.050 -0.874 0.000 0.858 1110 N CB 0.165 37.759 38.487 -1.488 0.000 0.970 1110 N HN 0.485 nan 8.380 nan 0.000 0.471 1111 G N 0.044 108.409 108.800 -0.725 0.000 3.314 1111 G HA2 0.419 4.379 3.960 -0.000 0.000 0.238 1111 G HA3 0.419 4.379 3.960 -0.000 0.000 0.238 1111 G C 0.738 175.640 174.900 0.004 0.000 1.184 1111 G CA 0.115 45.057 45.100 -0.262 0.000 0.806 1111 G HN 0.387 nan 8.290 nan 0.000 0.536 1112 G N -0.073 108.705 108.800 -0.038 0.000 2.804 1112 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.230 1112 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.230 1112 G C 1.350 176.275 174.900 0.042 0.000 1.386 1112 G CA 0.478 45.589 45.100 0.018 0.000 0.875 1112 G HN 1.223 nan 8.290 nan 0.000 0.557 1113 S N -0.314 115.408 115.700 0.038 0.000 2.400 1113 S HA -0.197 4.273 4.470 -0.000 0.000 0.232 1113 S C 1.934 176.573 174.600 0.064 0.000 1.025 1113 S CA 1.988 60.211 58.200 0.038 0.000 0.993 1113 S CB -0.313 62.902 63.200 0.025 0.000 0.808 1113 S HN 0.771 nan 8.310 nan 0.000 0.478 1114 N N 1.283 120.028 118.700 0.076 0.000 2.258 1114 N HA -0.086 4.653 4.740 -0.000 0.000 0.187 1114 N C 1.681 177.265 175.510 0.123 0.000 1.012 1114 N CA 1.563 54.669 53.050 0.093 0.000 0.870 1114 N CB -1.171 37.376 38.487 0.099 0.000 0.977 1114 N HN 0.617 nan 8.380 nan 0.000 0.434 1115 T N 0.065 114.706 114.554 0.145 0.000 2.915 1115 T HA 0.041 4.391 4.350 -0.000 0.000 0.269 1115 T C 1.588 176.461 174.700 0.288 0.000 1.071 1115 T CA 0.545 62.773 62.100 0.214 0.000 1.132 1115 T CB -0.055 68.945 68.868 0.218 0.000 0.878 1115 T HN 0.170 nan 8.240 nan 0.000 0.479 1116 L N 1.038 122.391 121.223 0.218 0.000 2.552 1116 L HA 0.086 4.426 4.340 -0.000 0.000 0.227 1116 L C 2.617 179.583 176.870 0.160 0.000 1.146 1116 L CA 1.226 56.191 54.840 0.210 0.000 0.858 1116 L CB -0.336 41.788 42.059 0.110 0.000 0.969 1116 L HN 0.437 nan 8.230 nan 0.000 0.451 1117 T N -6.268 108.363 114.554 0.128 0.000 3.038 1117 T HA 0.034 4.384 4.350 -0.000 0.000 0.244 1117 T C 1.345 176.096 174.700 0.085 0.000 1.016 1117 T CA 0.096 62.252 62.100 0.093 0.000 1.098 1117 T CB 0.066 68.975 68.868 0.068 0.000 0.954 1117 T HN -0.004 nan 8.240 nan 0.000 0.469 1118 D N 1.568 122.025 120.400 0.095 0.000 2.213 1118 D HA 0.095 4.735 4.640 -0.000 0.000 0.205 1118 D C 1.738 178.065 176.300 0.045 0.000 0.961 1118 D CA 0.792 54.834 54.000 0.070 0.000 0.853 1118 D CB -0.006 40.844 40.800 0.084 0.000 0.967 1118 D HN 0.381 nan 8.370 nan 0.000 0.496 1119 N N -1.237 117.502 118.700 0.064 0.000 2.612 1119 N HA 0.020 4.760 4.740 -0.000 0.000 0.224 1119 N C 0.050 175.441 175.510 -0.199 0.000 1.051 1119 N CA 0.141 53.150 53.050 -0.069 0.000 0.889 1119 N CB 0.310 38.770 38.487 -0.046 0.000 1.449 1119 N HN 0.114 nan 8.380 nan 0.000 0.442 1120 W N 1.579 122.898 121.300 0.031 0.000 2.516 1120 W HA 0.468 5.128 4.660 -0.000 0.000 0.343 1120 W C -0.156 176.378 176.519 0.026 0.000 1.094 1120 W CA -0.222 57.145 57.345 0.036 0.000 1.250 1120 W CB 1.058 30.575 29.460 0.095 0.000 1.308 1120 W HN -0.356 nan 8.180 nan 0.000 0.588 1121 T N 2.230 116.933 114.554 0.247 0.000 2.770 1121 T HA 0.468 4.817 4.350 -0.000 0.000 0.283 1121 T C -0.707 174.074 174.700 0.136 0.000 0.988 1121 T CA -0.585 61.599 62.100 0.139 0.000 0.957 1121 T CB 0.807 69.717 68.868 0.069 0.000 0.930 1121 T HN 0.082 nan 8.240 nan 0.000 0.443 1122 V N 3.974 123.947 119.914 0.099 0.000 2.472 1122 V HA 0.780 4.900 4.120 -0.000 0.000 0.290 1122 V C 0.131 176.250 176.094 0.041 0.000 1.037 1122 V CA -0.623 61.716 62.300 0.065 0.000 0.908 1122 V CB 1.471 33.324 31.823 0.049 0.000 0.985 1122 V HN 1.079 nan 8.190 nan 0.000 0.454 1123 S N 2.362 118.080 115.700 0.030 0.000 2.556 1123 S HA 0.997 5.466 4.470 -0.000 0.000 0.271 1123 S C -0.322 174.287 174.600 0.015 0.000 1.135 1123 S CA -0.133 58.079 58.200 0.020 0.000 0.858 1123 S CB 2.033 65.244 63.200 0.018 0.000 1.114 1123 S HN 2.119 nan 8.310 nan 0.000 0.468 1124 G N 0.824 109.631 108.800 0.012 0.000 2.408 1124 G HA2 0.184 4.144 3.960 -0.000 0.000 0.682 1124 G HA3 0.184 4.144 3.960 -0.000 0.000 0.682 1124 G C 0.361 175.267 174.900 0.011 0.000 1.303 1124 G CA 0.221 45.327 45.100 0.011 0.000 0.966 1124 G HN 1.915 nan 8.290 nan 0.000 0.560 1125 S N -0.789 114.918 115.700 0.011 0.000 2.470 1125 S HA 0.404 4.874 4.470 -0.000 0.000 0.225 1125 S C 1.758 176.365 174.600 0.012 0.000 1.006 1125 S CA 1.459 59.665 58.200 0.010 0.000 0.934 1125 S CB -0.099 63.106 63.200 0.008 0.000 0.778 1125 S HN 2.000 nan 8.310 nan 0.000 0.517 1126 G N 1.243 110.054 108.800 0.019 0.000 2.468 1126 G HA2 0.364 4.323 3.960 -0.000 0.000 0.264 1126 G HA3 0.364 4.323 3.960 -0.000 0.000 0.264 1126 G C -0.556 174.347 174.900 0.005 0.000 1.460 1126 G CA -0.648 44.464 45.100 0.019 0.000 1.060 1126 G HN 0.462 nan 8.290 nan 0.000 0.543 1127 K N -0.986 119.410 120.400 -0.007 0.000 2.482 1127 K HA 0.589 4.909 4.320 -0.000 0.000 0.251 1127 K C -1.357 175.213 176.600 -0.050 0.000 0.936 1127 K CA -0.718 55.555 56.287 -0.024 0.000 0.791 1127 K CB 1.901 34.387 32.500 -0.023 0.000 1.213 1127 K HN 0.606 nan 8.250 nan 0.000 0.428 1128 A N 3.984 126.770 122.820 -0.057 0.000 2.343 1128 A HA 0.588 4.908 4.320 -0.000 0.000 0.316 1128 A C -1.306 176.217 177.584 -0.102 0.000 1.104 1128 A CA -0.615 51.364 52.037 -0.096 0.000 0.768 1128 A CB 1.017 19.966 19.000 -0.086 0.000 1.213 1128 A HN 0.822 nan 8.150 nan 0.000 0.456 1129 E N 0.873 120.983 120.200 -0.151 0.000 2.340 1129 E HA 0.463 4.813 4.350 -0.000 0.000 0.273 1129 E C -1.357 175.143 176.600 -0.168 0.000 0.891 1129 E CA -0.960 55.361 56.400 -0.131 0.000 0.757 1129 E CB 2.508 32.129 29.700 -0.131 0.000 1.231 1129 E HN 0.356 nan 8.360 nan 0.000 0.439 1130 V N 2.393 122.239 119.914 -0.113 0.000 2.408 1130 V HA 0.194 4.314 4.120 -0.000 0.000 0.267 1130 V C -0.080 175.967 176.094 -0.078 0.000 1.047 1130 V CA 0.028 62.266 62.300 -0.105 0.000 0.937 1130 V CB 0.612 32.413 31.823 -0.036 0.000 0.999 1130 V HN 0.635 nan 8.190 nan 0.000 0.472 1131 E N 4.277 124.432 120.200 -0.074 0.000 2.256 1131 E HA 0.760 5.110 4.350 -0.000 0.000 0.267 1131 E C -0.276 176.329 176.600 0.009 0.000 0.892 1131 E CA 0.128 56.509 56.400 -0.032 0.000 0.775 1131 E CB 2.062 31.739 29.700 -0.038 0.000 1.207 1131 E HN 1.059 nan 8.360 nan 0.000 0.420 1132 G N 3.090 111.895 108.800 0.009 0.000 3.225 1132 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.686 1132 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.686 1132 G C -0.358 174.539 174.900 -0.005 0.000 1.105 1132 G CA -0.236 44.870 45.100 0.010 0.000 0.831 1132 G HN 0.542 nan 8.290 nan 0.000 0.578 1133 D N 0.673 121.073 120.400 0.001 0.000 2.340 1133 D HA 0.022 4.662 4.640 -0.000 0.000 0.220 1133 D C 1.607 177.910 176.300 0.006 0.000 1.039 1133 D CA 0.486 54.488 54.000 0.004 0.000 0.866 1133 D CB 0.502 41.313 40.800 0.019 0.000 0.913 1133 D HN 0.345 nan 8.370 nan 0.000 0.523 1134 N N 0.732 119.429 118.700 -0.005 0.000 1.931 1134 N HA -0.026 4.714 4.740 -0.000 0.000 0.220 1134 N C -0.172 175.285 175.510 -0.088 0.000 1.173 1134 N CA -0.177 52.870 53.050 -0.006 0.000 1.066 1134 N CB -0.006 38.490 38.487 0.014 0.000 1.410 1134 N HN -0.137 nan 8.380 nan 0.000 0.465 1135 N N 0.315 118.973 118.700 -0.070 0.000 2.439 1135 N HA 0.387 5.127 4.740 -0.000 0.000 0.243 1135 N C -1.039 174.479 175.510 0.014 0.000 1.088 1135 N CA -0.476 52.521 53.050 -0.089 0.000 0.940 1135 N CB 0.477 38.841 38.487 -0.205 0.000 1.180 1135 N HN 0.486 nan 8.380 nan 0.000 0.505 1136 A N 3.923 126.724 122.820 -0.032 0.000 2.445 1136 A HA 0.408 4.727 4.320 -0.000 0.000 0.242 1136 A C -0.057 177.573 177.584 0.076 0.000 1.075 1136 A CA 0.153 52.192 52.037 0.003 0.000 0.777 1136 A CB 0.388 19.362 19.000 -0.043 0.000 1.013 1136 A HN 0.753 nan 8.150 nan 0.000 0.493 1137 M N 0.658 120.282 119.600 0.040 0.000 2.658 1137 M HA 0.399 4.879 4.480 -0.000 0.000 0.295 1137 M C -0.929 175.219 176.300 -0.254 0.000 1.248 1137 M CA -0.782 54.520 55.300 0.002 0.000 0.843 1137 M CB 1.964 34.618 32.600 0.090 0.000 1.749 1137 M HN 0.580 nan 8.290 nan 0.000 0.464 1138 L N 2.044 122.878 121.223 -0.648 0.000 2.319 1138 L HA 0.446 4.786 4.340 -0.000 0.000 0.280 1138 L C -0.456 176.183 176.870 -0.385 0.000 1.099 1138 L CA 0.481 54.836 54.840 -0.809 0.000 0.828 1138 L CB 0.352 41.564 42.059 -1.412 0.000 1.150 1138 L HN 0.618 nan 8.230 nan 0.000 0.442 1139 R N 5.567 125.846 120.500 -0.368 0.000 2.437 1139 R HA 0.618 4.958 4.340 -0.000 0.000 0.310 1139 R C -1.610 174.477 176.300 -0.356 0.000 0.955 1139 R CA -0.647 55.166 56.100 -0.478 0.000 0.851 1139 R CB 0.887 30.827 30.300 -0.600 0.000 1.161 1139 R HN 0.733 nan 8.270 nan 0.000 0.446 1140 L N 3.303 124.329 121.223 -0.328 0.000 2.329 1140 L HA 0.564 4.903 4.340 -0.000 0.000 0.279 1140 L C -0.486 176.248 176.870 -0.226 0.000 1.014 1140 L CA -0.792 53.931 54.840 -0.196 0.000 0.814 1140 L CB 2.314 44.333 42.059 -0.067 0.000 1.257 1140 L HN 0.682 nan 8.230 nan 0.000 0.424 1141 T N 1.053 115.525 114.554 -0.136 0.000 2.881 1141 T HA 0.682 5.032 4.350 -0.000 0.000 0.290 1141 T C 0.237 174.912 174.700 -0.042 0.000 1.000 1141 T CA 0.126 62.149 62.100 -0.128 0.000 0.978 1141 T CB 1.936 70.792 68.868 -0.020 0.000 0.997 1141 T HN 1.059 nan 8.240 nan 0.000 0.443 1142 G N 2.557 111.366 108.800 0.015 0.000 2.525 1142 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.248 1142 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.248 1142 G C -0.512 174.540 174.900 0.253 0.000 1.238 1142 G CA -0.388 44.798 45.100 0.143 0.000 0.926 1142 G HN 0.801 nan 8.290 nan 0.000 0.574 1143 K N 0.484 120.950 120.400 0.109 0.000 2.299 1143 K HA 0.602 4.922 4.320 -0.000 0.000 0.268 1143 K C -1.003 175.628 176.600 0.051 0.000 1.075 1143 K CA -0.181 56.144 56.287 0.063 0.000 0.936 1143 K CB 0.609 33.120 32.500 0.018 0.000 1.228 1143 K HN 1.137 nan 8.250 nan 0.000 0.454 1144 V N 3.840 123.791 119.914 0.063 0.000 2.932 1144 V HA 0.430 4.550 4.120 -0.000 0.000 0.307 1144 V C -1.873 174.240 176.094 0.031 0.000 1.147 1144 V CA -0.757 61.566 62.300 0.039 0.000 0.951 1144 V CB 2.271 34.112 31.823 0.029 0.000 1.031 1144 V HN 0.726 nan 8.190 nan 0.000 0.426 1145 D N 4.093 124.502 120.400 0.015 0.000 2.498 1145 D HA 0.593 5.233 4.640 -0.000 0.000 0.247 1145 D C -1.151 175.156 176.300 0.012 0.000 1.070 1145 D CA -0.120 53.884 54.000 0.006 0.000 0.842 1145 D CB 2.495 43.299 40.800 0.006 0.000 1.361 1145 D HN 0.372 nan 8.370 nan 0.000 0.484 1146 V N 1.727 121.639 119.914 -0.003 0.000 2.443 1146 V HA 0.487 4.607 4.120 -0.000 0.000 0.293 1146 V C -0.071 176.138 176.094 0.191 0.000 1.021 1146 V CA -0.532 61.803 62.300 0.058 0.000 0.848 1146 V CB 1.480 33.257 31.823 -0.078 0.000 0.998 1146 V HN 0.695 nan 8.190 nan 0.000 0.424 1147 S N 4.021 119.902 115.700 0.301 0.000 2.595 1147 S HA 0.893 5.363 4.470 -0.000 0.000 0.281 1147 S C -1.115 173.592 174.600 0.179 0.000 1.117 1147 S CA -0.746 57.608 58.200 0.257 0.000 0.873 1147 S CB 2.673 65.924 63.200 0.084 0.000 1.108 1147 S HN 0.726 nan 8.310 nan 0.000 0.477 1148 Q N 0.311 120.086 119.800 -0.041 0.000 2.386 1148 Q HA 0.393 4.733 4.340 -0.000 0.000 0.274 1148 Q C -1.361 174.493 176.000 -0.245 0.000 1.011 1148 Q CA -0.578 55.035 55.803 -0.316 0.000 0.867 1148 Q CB 2.087 30.244 28.738 -0.969 0.000 1.409 1148 Q HN 0.847 nan 8.270 nan 0.000 0.395 1149 R N 2.624 122.998 120.500 -0.210 0.000 2.570 1149 R HA 0.243 4.583 4.340 -0.000 0.000 0.277 1149 R C -0.710 175.487 176.300 -0.173 0.000 1.039 1149 R CA 0.210 56.214 56.100 -0.160 0.000 1.065 1149 R CB 0.370 30.595 30.300 -0.126 0.000 0.964 1149 R HN 0.522 nan 8.270 nan 0.000 0.428 1150 L N 3.935 125.077 121.223 -0.135 0.000 2.312 1150 L HA 0.369 4.709 4.340 -0.000 0.000 0.281 1150 L C 0.466 177.299 176.870 -0.063 0.000 1.070 1150 L CA -0.592 54.186 54.840 -0.102 0.000 0.805 1150 L CB 1.503 43.495 42.059 -0.112 0.000 1.174 1150 L HN 0.802 nan 8.230 nan 0.000 0.434 1151 T N -2.837 111.709 114.554 -0.013 0.000 2.942 1151 T HA 0.340 4.690 4.350 -0.000 0.000 0.289 1151 T C -0.123 174.646 174.700 0.115 0.000 1.044 1151 T CA -0.717 61.391 62.100 0.013 0.000 1.023 1151 T CB 1.781 70.639 68.868 -0.017 0.000 1.123 1151 T HN 0.719 nan 8.240 nan 0.000 0.512 1152 D N 0.108 120.559 120.400 0.086 0.000 2.870 1152 D HA -0.132 4.508 4.640 -0.000 0.000 0.228 1152 D C -0.208 176.200 176.300 0.181 0.000 1.147 1152 D CA 0.429 54.513 54.000 0.139 0.000 0.757 1152 D CB -1.409 39.464 40.800 0.123 0.000 1.091 1152 D HN 0.564 nan 8.370 nan 0.000 0.429 1153 L N -0.017 121.220 121.223 0.023 0.000 2.375 1153 L HA 0.240 4.580 4.340 -0.000 0.000 0.271 1153 L C 1.164 178.076 176.870 0.070 0.000 1.107 1153 L CA -0.301 54.474 54.840 -0.107 0.000 0.806 1153 L CB 0.757 42.640 42.059 -0.294 0.000 1.146 1153 L HN -0.279 nan 8.230 nan 0.000 0.447 1154 K N 2.492 123.019 120.400 0.212 0.000 2.273 1154 K HA 0.398 4.718 4.320 -0.000 0.000 0.287 1154 K C -0.074 176.624 176.600 0.163 0.000 1.089 1154 K CA -0.418 55.974 56.287 0.176 0.000 0.909 1154 K CB 1.120 33.718 32.500 0.164 0.000 1.123 1154 K HN 0.667 nan 8.250 nan 0.000 0.473 1155 A N 2.118 124.998 122.820 0.100 0.000 2.565 1155 A HA 0.321 4.641 4.320 -0.000 0.000 0.237 1155 A C 1.410 179.042 177.584 0.079 0.000 1.053 1155 A CA 0.929 53.018 52.037 0.086 0.000 0.755 1155 A CB -0.434 18.601 19.000 0.057 0.000 0.980 1155 A HN 0.998 nan 8.150 nan 0.000 0.506 1156 G N 0.843 109.692 108.800 0.082 0.000 2.205 1156 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.261 1156 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.261 1156 G C 0.237 175.159 174.900 0.036 0.000 0.980 1156 G CA 0.551 45.684 45.100 0.056 0.000 0.632 1156 G HN 0.926 nan 8.290 nan 0.000 0.533 1157 Q N 0.325 120.155 119.800 0.050 0.000 2.227 1157 Q HA 0.507 4.847 4.340 -0.000 0.000 0.245 1157 Q C 0.085 176.016 176.000 -0.114 0.000 0.926 1157 Q CA -0.311 55.459 55.803 -0.054 0.000 0.895 1157 Q CB 1.240 29.907 28.738 -0.117 0.000 1.230 1157 Q HN 0.427 nan 8.270 nan 0.000 0.450 1158 K N 1.441 121.696 120.400 -0.242 0.000 2.205 1158 K HA 0.372 4.692 4.320 -0.000 0.000 0.279 1158 K C -1.006 175.272 176.600 -0.536 0.000 1.027 1158 K CA 0.007 56.140 56.287 -0.256 0.000 0.932 1158 K CB 0.605 33.015 32.500 -0.150 0.000 1.032 1158 K HN 0.393 nan 8.250 nan 0.000 0.466 1159 Y N 0.129 120.166 120.300 -0.439 0.000 2.477 1159 Y HA 0.440 4.989 4.550 -0.000 0.000 0.347 1159 Y C -0.177 175.566 175.900 -0.262 0.000 0.981 1159 Y CA -1.075 56.750 58.100 -0.459 0.000 1.033 1159 Y CB 2.106 40.047 38.460 -0.865 0.000 1.245 1159 Y HN 0.609 nan 8.280 nan 0.000 0.455 1160 A N 3.537 126.416 122.820 0.098 0.000 2.310 1160 A HA 0.706 5.026 4.320 -0.000 0.000 0.299 1160 A C -1.376 176.243 177.584 0.058 0.000 1.147 1160 A CA -0.587 51.493 52.037 0.072 0.000 0.818 1160 A CB 0.605 19.699 19.000 0.156 0.000 1.096 1160 A HN 0.803 nan 8.150 nan 0.000 0.495 1161 L N 3.304 124.538 121.223 0.018 0.000 2.349 1161 L HA 0.725 5.065 4.340 -0.000 0.000 0.278 1161 L C -1.322 175.445 176.870 -0.172 0.000 0.996 1161 L CA -0.779 54.050 54.840 -0.019 0.000 0.825 1161 L CB 1.197 43.328 42.059 0.119 0.000 1.243 1161 L HN 0.819 nan 8.230 nan 0.000 0.412 1162 Y N 3.570 123.659 120.300 -0.352 0.000 2.536 1162 Y HA 0.830 5.380 4.550 -0.000 0.000 0.347 1162 Y C -1.476 174.321 175.900 -0.170 0.000 1.000 1162 Y CA -1.389 56.415 58.100 -0.493 0.000 1.051 1162 Y CB 1.661 39.356 38.460 -1.275 0.000 1.259 1162 Y HN 0.279 nan 8.280 nan 0.000 0.468 1163 V N 1.941 121.933 119.914 0.131 0.000 2.888 1163 V HA 0.814 4.934 4.120 -0.000 0.000 0.309 1163 V C -0.058 176.251 176.094 0.358 0.000 1.114 1163 V CA -0.448 61.992 62.300 0.232 0.000 0.940 1163 V CB 1.772 33.743 31.823 0.246 0.000 1.021 1163 V HN 1.311 nan 8.190 nan 0.000 0.426 1164 G N 3.567 112.643 108.800 0.460 0.000 2.406 1164 G HA2 0.508 4.468 3.960 -0.000 0.000 0.251 1164 G HA3 0.508 4.468 3.960 -0.000 0.000 0.251 1164 G C -0.855 174.240 174.900 0.326 0.000 1.271 1164 G CA 0.126 45.570 45.100 0.574 0.000 0.859 1164 G HN 1.173 nan 8.290 nan 0.000 0.540 1165 V N 2.507 122.384 119.914 -0.062 0.000 2.808 1165 V HA 0.600 4.720 4.120 -0.000 0.000 0.308 1165 V C -1.772 173.872 176.094 -0.749 0.000 1.099 1165 V CA -0.953 61.002 62.300 -0.575 0.000 0.920 1165 V CB 2.386 33.960 31.823 -0.416 0.000 1.014 1165 V HN 0.758 nan 8.190 nan 0.000 0.425 1166 D N 4.773 124.580 120.400 -0.988 0.000 2.473 1166 D HA 0.328 4.968 4.640 -0.000 0.000 0.253 1166 D C -1.120 174.979 176.300 -0.333 0.000 1.233 1166 D CA -0.229 53.429 54.000 -0.571 0.000 0.908 1166 D CB 1.406 41.827 40.800 -0.632 0.000 1.170 1166 D HN 0.557 nan 8.370 nan 0.000 0.558 1167 N N 2.771 121.318 118.700 -0.256 0.000 2.444 1167 N HA 0.234 4.974 4.740 -0.000 0.000 0.262 1167 N C 0.393 175.805 175.510 -0.163 0.000 0.974 1167 N CA -0.377 52.553 53.050 -0.200 0.000 0.933 1167 N CB 0.894 39.283 38.487 -0.163 0.000 1.137 1167 N HN 0.177 nan 8.380 nan 0.000 0.498 1168 R N 0.936 121.364 120.500 -0.120 0.000 2.334 1168 R HA 0.160 4.500 4.340 -0.000 0.000 0.216 1168 R C 0.249 176.484 176.300 -0.107 0.000 0.905 1168 R CA -0.031 55.998 56.100 -0.119 0.000 1.064 1168 R CB -0.441 29.837 30.300 -0.037 0.000 1.046 1168 R HN 0.433 nan 8.270 nan 0.000 0.508 1169 S N 0.383 116.031 115.700 -0.087 0.000 2.610 1169 S HA 0.133 4.602 4.470 -0.000 0.000 0.273 1169 S C 1.371 175.977 174.600 0.009 0.000 1.274 1169 S CA -0.261 57.926 58.200 -0.021 0.000 1.023 1169 S CB 1.288 64.542 63.200 0.091 0.000 0.962 1169 S HN 0.382 nan 8.310 nan 0.000 0.523 1170 T N 1.327 115.890 114.554 0.015 0.000 3.023 1170 T HA 0.202 4.552 4.350 -0.000 0.000 0.266 1170 T C 1.029 175.737 174.700 0.013 0.000 1.093 1170 T CA 0.348 62.452 62.100 0.006 0.000 1.129 1170 T CB -0.611 68.256 68.868 -0.003 0.000 0.899 1170 T HN 0.659 nan 8.240 nan 0.000 0.491 1171 G N 1.016 109.840 108.800 0.039 0.000 2.527 1171 G HA2 0.410 4.370 3.960 -0.000 0.000 0.248 1171 G HA3 0.410 4.370 3.960 -0.000 0.000 0.248 1171 G C -0.897 173.970 174.900 -0.055 0.000 1.231 1171 G CA -0.597 44.474 45.100 -0.049 0.000 0.838 1171 G HN 0.184 nan 8.290 nan 0.000 0.570 1172 D N -0.015 120.323 120.400 -0.104 0.000 2.382 1172 D HA 0.472 5.112 4.640 -0.000 0.000 0.245 1172 D C 0.356 176.642 176.300 -0.024 0.000 1.120 1172 D CA 0.506 54.481 54.000 -0.043 0.000 0.890 1172 D CB 1.507 42.291 40.800 -0.027 0.000 1.201 1172 D HN 0.516 nan 8.370 nan 0.000 0.433 1173 A N 1.578 124.438 122.820 0.068 0.000 2.318 1173 A HA 0.658 4.978 4.320 -0.000 0.000 0.324 1173 A C -0.401 177.304 177.584 0.201 0.000 1.170 1173 A CA -0.531 51.605 52.037 0.166 0.000 0.810 1173 A CB 0.898 19.948 19.000 0.084 0.000 1.198 1173 A HN 0.398 nan 8.150 nan 0.000 0.484 1174 S N 0.118 115.968 115.700 0.249 0.000 2.599 1174 S HA 0.704 5.174 4.470 -0.000 0.000 0.294 1174 S C -0.935 173.746 174.600 0.135 0.000 1.094 1174 S CA -0.646 57.653 58.200 0.166 0.000 0.931 1174 S CB 1.832 65.074 63.200 0.070 0.000 1.093 1174 S HN 1.259 nan 8.310 nan 0.000 0.488 1175 V N 1.999 121.968 119.914 0.092 0.000 2.656 1175 V HA 0.823 4.943 4.120 -0.000 0.000 0.307 1175 V C -1.226 174.865 176.094 -0.005 0.000 1.051 1175 V CA 0.084 62.388 62.300 0.007 0.000 0.893 1175 V CB 1.823 33.669 31.823 0.039 0.000 0.999 1175 V HN 0.999 nan 8.190 nan 0.000 0.426 1176 T N 5.312 119.837 114.554 -0.049 0.000 2.952 1176 T HA 0.522 4.872 4.350 -0.000 0.000 0.305 1176 T C -1.045 173.579 174.700 -0.127 0.000 1.064 1176 T CA -0.421 61.638 62.100 -0.068 0.000 1.008 1176 T CB 1.709 70.544 68.868 -0.056 0.000 1.078 1176 T HN 0.509 nan 8.240 nan 0.000 0.459 1177 V N 3.908 123.708 119.914 -0.191 0.000 2.370 1177 V HA 0.645 4.765 4.120 -0.000 0.000 0.283 1177 V C 0.562 176.507 176.094 -0.249 0.000 1.023 1177 V CA -0.631 61.469 62.300 -0.332 0.000 0.857 1177 V CB 1.352 32.747 31.823 -0.714 0.000 0.985 1177 V HN 1.127 nan 8.190 nan 0.000 0.443 1178 T N 1.209 115.643 114.554 -0.200 0.000 2.940 1178 T HA 0.723 5.073 4.350 -0.000 0.000 0.288 1178 T C -0.306 174.318 174.700 -0.127 0.000 1.033 1178 T CA -0.828 61.192 62.100 -0.133 0.000 1.033 1178 T CB 1.912 70.727 68.868 -0.089 0.000 1.079 1178 T HN 0.559 nan 8.240 nan 0.000 0.496 1179 S N 0.191 115.843 115.700 -0.081 0.000 2.736 1179 S HA 0.564 5.033 4.470 -0.000 0.000 0.285 1179 S C 0.792 175.370 174.600 -0.037 0.000 1.163 1179 S CA 0.238 58.404 58.200 -0.056 0.000 1.025 1179 S CB 0.095 63.274 63.200 -0.035 0.000 1.030 1179 S HN 2.138 nan 8.310 nan 0.000 0.486 1180 G N 3.026 111.805 108.800 -0.034 0.000 2.323 1180 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.292 1180 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.292 1180 G C 1.318 176.203 174.900 -0.025 0.000 1.040 1180 G CA 0.817 45.902 45.100 -0.025 0.000 0.942 1180 G HN 2.237 nan 8.290 nan 0.000 0.506 1181 G N -1.138 107.643 108.800 -0.032 0.000 2.212 1181 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.266 1181 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.266 1181 G C 0.482 175.364 174.900 -0.030 0.000 0.978 1181 G CA 1.530 46.613 45.100 -0.029 0.000 0.632 1181 G HN 1.473 nan 8.290 nan 0.000 0.537 1182 K N 0.588 120.971 120.400 -0.030 0.000 2.172 1182 K HA 0.587 4.907 4.320 -0.000 0.000 0.276 1182 K C 0.416 176.993 176.600 -0.038 0.000 1.013 1182 K CA -0.647 55.624 56.287 -0.027 0.000 0.913 1182 K CB 1.266 33.756 32.500 -0.017 0.000 1.055 1182 K HN 0.030 nan 8.250 nan 0.000 0.461 1183 V N 6.721 126.613 119.914 -0.038 0.000 2.439 1183 V HA -0.001 4.119 4.120 -0.000 0.000 0.271 1183 V C 0.895 176.967 176.094 -0.037 0.000 1.040 1183 V CA -0.220 62.051 62.300 -0.049 0.000 1.002 1183 V CB 0.921 32.715 31.823 -0.049 0.000 1.000 1183 V HN 0.798 nan 8.190 nan 0.000 0.477 1184 L N 4.701 125.895 121.223 -0.049 0.000 2.127 1184 L HA 0.434 4.773 4.340 -0.000 0.000 0.203 1184 L C 0.954 177.844 176.870 0.034 0.000 1.080 1184 L CA 1.422 56.262 54.840 0.000 0.000 0.768 1184 L CB -0.488 41.558 42.059 -0.021 0.000 0.924 1184 L HN 0.840 nan 8.230 nan 0.000 0.444 1185 A N -2.547 120.266 122.820 -0.011 0.000 2.599 1185 A HA 0.640 4.960 4.320 -0.000 0.000 0.294 1185 A C -0.716 176.861 177.584 -0.011 0.000 1.055 1185 A CA -0.177 51.880 52.037 0.033 0.000 0.683 1185 A CB 1.344 20.444 19.000 0.168 0.000 1.278 1185 A HN -0.107 nan 8.150 nan 0.000 0.412 1186 T N 0.502 115.057 114.554 0.001 0.000 2.885 1186 T HA 0.671 5.021 4.350 -0.000 0.000 0.322 1186 T C -1.775 172.956 174.700 0.052 0.000 1.387 1186 T CA -0.421 61.681 62.100 0.003 0.000 1.041 1186 T CB 1.502 70.352 68.868 -0.030 0.000 1.287 1186 T HN 1.202 nan 8.240 nan 0.000 0.491 1187 N N 0.656 119.403 118.700 0.078 0.000 2.710 1187 N HA 0.710 5.450 4.740 -0.000 0.000 0.257 1187 N C -1.887 173.691 175.510 0.114 0.000 1.327 1187 N CA -0.412 52.714 53.050 0.126 0.000 0.861 1187 N CB 2.451 41.050 38.487 0.187 0.000 1.532 1187 N HN 0.558 nan 8.380 nan 0.000 0.499 1188 S N -0.558 115.212 115.700 0.117 0.000 2.556 1188 S HA 0.678 5.148 4.470 -0.000 0.000 0.271 1188 S C -1.512 173.145 174.600 0.094 0.000 1.135 1188 S CA -0.491 57.768 58.200 0.099 0.000 0.858 1188 S CB 1.716 64.956 63.200 0.066 0.000 1.114 1188 S HN 0.530 nan 8.310 nan 0.000 0.468 1189 T N 1.130 115.729 114.554 0.075 0.000 2.861 1189 T HA 0.689 5.039 4.350 -0.000 0.000 0.287 1189 T C 0.487 175.203 174.700 0.028 0.000 1.003 1189 T CA -0.153 61.977 62.100 0.049 0.000 0.977 1189 T CB 0.949 69.835 68.868 0.029 0.000 0.996 1189 T HN 0.692 nan 8.240 nan 0.000 0.448 1190 G N 2.093 110.908 108.800 0.026 0.000 2.504 1190 G HA2 0.346 4.306 3.960 -0.000 0.000 0.257 1190 G HA3 0.346 4.306 3.960 -0.000 0.000 0.257 1190 G C -0.262 174.632 174.900 -0.011 0.000 1.451 1190 G CA -0.681 44.427 45.100 0.013 0.000 1.059 1190 G HN 0.872 nan 8.290 nan 0.000 0.550 1191 K N 0.137 120.523 120.400 -0.023 0.000 2.491 1191 K HA 0.071 4.391 4.320 -0.000 0.000 0.279 1191 K C 0.282 176.831 176.600 -0.084 0.000 1.026 1191 K CA 0.019 56.263 56.287 -0.071 0.000 1.070 1191 K CB -0.016 32.438 32.500 -0.077 0.000 0.887 1191 K HN 0.281 nan 8.250 nan 0.000 0.481 1192 S N 3.731 119.340 115.700 -0.151 0.000 2.560 1192 S HA 0.035 4.505 4.470 -0.000 0.000 0.284 1192 S C 1.138 175.671 174.600 -0.112 0.000 1.327 1192 S CA -0.314 57.821 58.200 -0.108 0.000 1.055 1192 S CB 0.261 63.395 63.200 -0.110 0.000 0.868 1192 S HN 0.690 nan 8.310 nan 0.000 0.506 1193 I N -0.777 119.844 120.570 0.085 0.000 4.227 1193 I HA 0.583 4.753 4.170 -0.000 0.000 0.334 1193 I C 0.377 176.659 176.117 0.275 0.000 1.341 1193 I CA -0.436 60.960 61.300 0.160 0.000 1.123 1193 I CB 0.332 38.406 38.000 0.124 0.000 1.097 1193 I HN 0.451 nan 8.210 nan 0.000 0.399 1194 A N 1.758 124.757 122.820 0.298 0.000 2.332 1194 A HA 0.578 4.898 4.320 -0.000 0.000 0.300 1194 A C -0.342 177.259 177.584 0.029 0.000 1.153 1194 A CA -0.609 51.511 52.037 0.139 0.000 0.764 1194 A CB 0.716 19.733 19.000 0.028 0.000 1.174 1194 A HN 0.189 nan 8.150 nan 0.000 0.467 1195 K N 1.504 121.751 120.400 -0.255 0.000 2.276 1195 K HA 0.088 4.408 4.320 -0.000 0.000 0.259 1195 K C 0.015 176.296 176.600 -0.532 0.000 1.001 1195 K CA -0.314 55.565 56.287 -0.681 0.000 0.927 1195 K CB 0.561 32.561 32.500 -0.832 0.000 0.969 1195 K HN 0.742 nan 8.250 nan 0.000 0.490 1196 N N 1.948 120.364 118.700 -0.474 0.000 2.419 1196 N HA 0.052 4.792 4.740 -0.000 0.000 0.264 1196 N C -0.909 174.361 175.510 -0.400 0.000 1.031 1196 N CA 0.004 52.916 53.050 -0.230 0.000 0.951 1196 N CB 0.495 39.038 38.487 0.094 0.000 1.101 1196 N HN 0.446 nan 8.380 nan 0.000 0.488 1197 Y N 3.006 123.342 120.300 0.059 0.000 2.681 1197 Y HA 0.347 4.897 4.550 -0.000 0.000 0.267 1197 Y C 0.097 176.052 175.900 0.091 0.000 1.166 1197 Y CA -0.426 57.708 58.100 0.056 0.000 1.209 1197 Y CB 0.435 38.911 38.460 0.027 0.000 1.161 1197 Y HN 0.401 nan 8.280 nan 0.000 0.534 1198 I N 1.190 121.888 120.570 0.213 0.000 2.291 1198 I HA 0.088 4.258 4.170 -0.000 0.000 0.292 1198 I C 1.296 177.539 176.117 0.210 0.000 1.064 1198 I CA -0.194 61.237 61.300 0.219 0.000 1.269 1198 I CB 1.275 39.393 38.000 0.197 0.000 1.418 1198 I HN 0.248 nan 8.210 nan 0.000 0.485 1199 K N 5.314 125.808 120.400 0.155 0.000 2.057 1199 K HA -0.121 4.198 4.320 -0.000 0.000 0.207 1199 K C 1.681 178.333 176.600 0.086 0.000 1.049 1199 K CA 1.654 57.996 56.287 0.091 0.000 0.931 1199 K CB 0.319 32.839 32.500 0.033 0.000 0.714 1199 K HN 0.711 nan 8.250 nan 0.000 0.440 1200 A N 0.007 122.901 122.820 0.125 0.000 2.235 1200 A HA -0.052 4.268 4.320 -0.000 0.000 0.208 1200 A C 0.321 178.006 177.584 0.168 0.000 1.172 1200 A CA 0.027 52.147 52.037 0.138 0.000 0.786 1200 A CB -0.294 18.817 19.000 0.184 0.000 0.804 1200 A HN 0.418 nan 8.150 nan 0.000 0.479 1201 Y N -0.365 119.961 120.300 0.043 0.000 2.320 1201 Y HA 0.487 5.037 4.550 -0.000 0.000 0.324 1201 Y C 1.297 177.161 175.900 -0.061 0.000 1.190 1201 Y CA -0.778 57.331 58.100 0.015 0.000 1.215 1201 Y CB 1.117 39.608 38.460 0.052 0.000 1.221 1201 Y HN -0.029 nan 8.280 nan 0.000 0.486 1202 G N 2.752 111.074 108.800 -0.797 0.000 2.744 1202 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.211 1202 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.211 1202 G C 0.248 174.426 174.900 -1.203 0.000 1.143 1202 G CA 0.245 44.839 45.100 -0.844 0.000 0.788 1202 G HN 0.743 nan 8.290 nan 0.000 0.534 1203 H N 0.140 118.446 119.070 -1.274 0.000 2.674 1203 H HA 0.126 4.682 4.556 -0.000 0.000 0.235 1203 H C 0.039 175.224 175.328 -0.239 0.000 1.330 1203 H CA -0.853 54.745 56.048 -0.750 0.000 1.052 1203 H CB -0.127 28.963 29.762 -1.121 0.000 1.954 1203 H HN 0.435 nan 8.280 nan 0.000 0.566 1204 N N -0.785 117.884 118.700 -0.051 0.000 2.347 1204 N HA -0.054 4.686 4.740 -0.000 0.000 0.253 1204 N C 1.138 176.633 175.510 -0.024 0.000 1.274 1204 N CA -0.225 52.870 53.050 0.074 0.000 0.941 1204 N CB 0.567 39.109 38.487 0.092 0.000 1.200 1204 N HN -0.138 nan 8.380 nan 0.000 0.514 1205 T N -1.164 113.323 114.554 -0.112 0.000 3.163 1205 T HA 0.059 4.409 4.350 -0.000 0.000 0.260 1205 T C 0.399 175.050 174.700 -0.082 0.000 1.156 1205 T CA 0.423 62.427 62.100 -0.161 0.000 1.072 1205 T CB -0.724 67.925 68.868 -0.365 0.000 0.937 1205 T HN 0.417 nan 8.240 nan 0.000 0.528 1206 N N 0.711 119.386 118.700 -0.042 0.000 2.398 1206 N HA 0.062 4.802 4.740 -0.000 0.000 0.188 1206 N C 1.559 177.058 175.510 -0.018 0.000 1.122 1206 N CA 0.476 53.517 53.050 -0.015 0.000 0.866 1206 N CB 0.265 38.755 38.487 0.004 0.000 0.970 1206 N HN 0.506 nan 8.380 nan 0.000 0.462 1207 S N -0.316 115.366 115.700 -0.031 0.000 2.540 1207 S HA 0.073 4.543 4.470 -0.000 0.000 0.218 1207 S C 0.457 175.042 174.600 -0.025 0.000 0.977 1207 S CA -0.424 57.756 58.200 -0.033 0.000 0.918 1207 S CB -0.131 63.028 63.200 -0.068 0.000 0.806 1207 S HN 0.137 nan 8.310 nan 0.000 0.496 1208 N N 1.409 120.095 118.700 -0.024 0.000 2.671 1208 N HA -0.144 4.596 4.740 -0.000 0.000 0.261 1208 N C 0.453 175.926 175.510 -0.062 0.000 1.053 1208 N CA 0.930 53.965 53.050 -0.026 0.000 0.732 1208 N CB -1.834 36.646 38.487 -0.011 0.000 0.887 1208 N HN 0.447 nan 8.380 nan 0.000 0.546 1209 T N -0.207 114.290 114.554 -0.094 0.000 2.708 1209 T HA -0.151 4.198 4.350 -0.000 0.000 0.266 1209 T C 0.606 175.096 174.700 -0.351 0.000 1.037 1209 T CA 1.676 63.615 62.100 -0.269 0.000 1.146 1209 T CB 0.011 68.731 68.868 -0.246 0.000 0.865 1209 T HN 0.601 nan 8.240 nan 0.000 0.435 1210 E N -0.230 119.875 120.200 -0.157 0.000 2.354 1210 E HA 0.354 4.704 4.350 -0.000 0.000 0.283 1210 E C -0.425 176.200 176.600 0.042 0.000 0.938 1210 E CA -0.490 55.899 56.400 -0.019 0.000 0.777 1210 E CB 1.067 30.820 29.700 0.088 0.000 1.222 1210 E HN 0.320 nan 8.360 nan 0.000 0.423 1211 N N 1.174 119.907 118.700 0.055 0.000 1.387 1211 N HA -0.242 4.498 4.740 -0.000 0.000 0.119 1211 N C 0.372 175.911 175.510 0.048 0.000 0.852 1211 N CA 1.103 54.188 53.050 0.060 0.000 0.874 1211 N CB -1.140 37.394 38.487 0.077 0.000 0.970 1211 N HN 0.614 nan 8.380 nan 0.000 0.642 1212 G N -0.229 108.605 108.800 0.055 0.000 3.279 1212 G HA2 0.356 4.316 3.960 -0.000 0.000 0.230 1212 G HA3 0.356 4.316 3.960 -0.000 0.000 0.230 1212 G C 0.004 174.917 174.900 0.022 0.000 1.230 1212 G CA 1.170 46.293 45.100 0.038 0.000 0.891 1212 G HN 0.856 nan 8.290 nan 0.000 0.518 1213 S N -2.065 113.649 115.700 0.024 0.000 2.672 1213 S HA 0.751 5.221 4.470 -0.000 0.000 0.271 1213 S C -1.136 173.463 174.600 -0.002 0.000 1.171 1213 S CA -0.575 57.620 58.200 -0.010 0.000 0.817 1213 S CB 2.042 65.244 63.200 0.003 0.000 1.150 1213 S HN 0.363 nan 8.310 nan 0.000 0.478 1214 S N -0.411 115.249 115.700 -0.067 0.000 2.572 1214 S HA 0.617 5.087 4.470 -0.000 0.000 0.274 1214 S C -1.751 172.813 174.600 -0.060 0.000 1.150 1214 S CA -0.523 57.702 58.200 0.042 0.000 0.944 1214 S CB 0.896 64.152 63.200 0.093 0.000 1.071 1214 S HN 0.699 nan 8.310 nan 0.000 0.479 1215 Y N 2.875 123.199 120.300 0.039 0.000 2.636 1215 Y HA 0.399 4.949 4.550 -0.000 0.000 0.260 1215 Y C 0.128 176.054 175.900 0.042 0.000 1.177 1215 Y CA -0.597 57.507 58.100 0.007 0.000 1.209 1215 Y CB 0.235 38.672 38.460 -0.038 0.000 1.166 1215 Y HN 0.632 nan 8.280 nan 0.000 0.531 1216 F N 2.458 122.487 119.950 0.132 0.000 2.612 1216 F HA 0.004 4.531 4.527 -0.000 0.000 0.389 1216 F C 0.423 176.308 175.800 0.141 0.000 1.055 1216 F CA 0.762 58.862 58.000 0.166 0.000 1.232 1216 F CB 0.375 39.564 39.000 0.316 0.000 1.044 1216 F HN 0.110 nan 8.300 nan 0.000 0.560 1217 Q N 2.678 122.610 119.800 0.220 0.000 2.418 1217 Q HA 0.264 4.604 4.340 -0.000 0.000 0.282 1217 Q C -1.220 174.890 176.000 0.183 0.000 1.044 1217 Q CA -1.107 54.791 55.803 0.157 0.000 0.813 1217 Q CB 1.949 30.756 28.738 0.115 0.000 1.428 1217 Q HN 0.459 nan 8.270 nan 0.000 0.402 1218 N N 1.631 120.441 118.700 0.184 0.000 2.470 1218 N HA 0.276 5.016 4.740 -0.000 0.000 0.268 1218 N C -0.499 175.195 175.510 0.306 0.000 1.136 1218 N CA 0.093 53.279 53.050 0.226 0.000 0.961 1218 N CB 0.723 39.272 38.487 0.104 0.000 1.067 1218 N HN 0.499 nan 8.380 nan 0.000 0.468 1219 M N 3.230 122.988 119.600 0.263 0.000 2.227 1219 M HA 0.338 4.818 4.480 -0.000 0.000 0.335 1219 M C -1.541 174.890 176.300 0.219 0.000 1.053 1219 M CA -0.640 54.839 55.300 0.299 0.000 0.973 1219 M CB 0.806 33.549 32.600 0.239 0.000 1.623 1219 M HN 0.420 nan 8.290 nan 0.000 0.434 1220 Y N 3.663 124.000 120.300 0.060 0.000 2.420 1220 Y HA 0.650 5.200 4.550 -0.000 0.000 0.334 1220 Y C -0.067 175.725 175.900 -0.181 0.000 1.094 1220 Y CA -0.785 57.208 58.100 -0.178 0.000 1.126 1220 Y CB 1.781 39.910 38.460 -0.552 0.000 1.217 1220 Y HN 0.532 nan 8.280 nan 0.000 0.462 1221 V N -0.358 119.475 119.914 -0.135 0.000 3.001 1221 V HA 0.672 4.791 4.120 -0.000 0.000 0.314 1221 V C -1.333 174.608 176.094 -0.255 0.000 1.099 1221 V CA -1.346 60.917 62.300 -0.061 0.000 0.989 1221 V CB 2.049 33.929 31.823 0.096 0.000 1.040 1221 V HN 0.529 nan 8.190 nan 0.000 0.434 1222 F N 3.576 123.726 119.950 0.332 0.000 2.507 1222 F HA 0.879 5.406 4.527 -0.000 0.000 0.325 1222 F C -0.277 175.733 175.800 0.350 0.000 1.116 1222 F CA -0.608 57.563 58.000 0.285 0.000 0.930 1222 F CB 1.866 40.993 39.000 0.213 0.000 1.146 1222 F HN 0.800 nan 8.300 nan 0.000 0.447 1223 F N -1.286 118.827 119.950 0.271 0.000 2.715 1223 F HA 0.844 5.371 4.527 -0.000 0.000 0.318 1223 F C -1.093 174.820 175.800 0.188 0.000 1.141 1223 F CA -1.100 57.013 58.000 0.187 0.000 0.950 1223 F CB 1.466 40.535 39.000 0.114 0.000 1.374 1223 F HN 0.185 nan 8.300 nan 0.000 0.477 1224 T N 1.869 116.559 114.554 0.226 0.000 2.771 1224 T HA 0.670 5.020 4.350 -0.000 0.000 0.281 1224 T C -0.129 174.729 174.700 0.263 0.000 0.982 1224 T CA -0.347 61.823 62.100 0.116 0.000 0.978 1224 T CB 1.284 70.213 68.868 0.103 0.000 0.930 1224 T HN 0.913 nan 8.240 nan 0.000 0.447 1225 A N 6.164 129.105 122.820 0.201 0.000 2.524 1225 A HA 0.431 4.751 4.320 -0.000 0.000 0.250 1225 A C -1.997 175.690 177.584 0.173 0.000 1.078 1225 A CA -1.001 51.185 52.037 0.248 0.000 0.761 1225 A CB -0.369 18.733 19.000 0.170 0.000 1.012 1225 A HN 0.506 nan 8.150 nan 0.000 0.500 1226 P HA 0.110 nan 4.420 nan 0.000 0.274 1226 P C 0.363 177.702 177.300 0.064 0.000 1.231 1226 P CA -0.200 62.955 63.100 0.092 0.000 0.790 1226 P CB 0.789 32.526 31.700 0.063 0.000 0.951 1227 E N 2.181 122.411 120.200 0.050 0.000 2.153 1227 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 1227 E C 1.248 177.864 176.600 0.028 0.000 0.988 1227 E CA 1.524 57.946 56.400 0.038 0.000 0.811 1227 E CB -0.708 29.011 29.700 0.031 0.000 0.746 1227 E HN 0.662 nan 8.360 nan 0.000 0.466 1228 N N -0.365 118.348 118.700 0.023 0.000 2.521 1228 N HA 0.023 4.763 4.740 -0.000 0.000 0.188 1228 N C 1.192 176.708 175.510 0.010 0.000 1.146 1228 N CA 0.778 53.836 53.050 0.013 0.000 0.893 1228 N CB 0.061 38.553 38.487 0.008 0.000 0.975 1228 N HN 0.093 nan 8.380 nan 0.000 0.451 1229 G N 0.497 109.307 108.800 0.016 0.000 2.203 1229 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.263 1229 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.263 1229 G C -0.572 174.323 174.900 -0.008 0.000 1.012 1229 G CA 0.587 45.692 45.100 0.008 0.000 0.749 1229 G HN 0.698 nan 8.290 nan 0.000 0.512 1230 D N 0.097 120.490 120.400 -0.012 0.000 2.464 1230 D HA 0.664 5.303 4.640 -0.000 0.000 0.243 1230 D C 0.112 176.384 176.300 -0.047 0.000 1.104 1230 D CA 0.355 54.337 54.000 -0.030 0.000 0.883 1230 D CB 0.491 41.276 40.800 -0.025 0.000 1.050 1230 D HN 0.772 nan 8.370 nan 0.000 0.524 1231 A N 2.733 125.510 122.820 -0.072 0.000 2.414 1231 A HA 0.778 5.098 4.320 -0.000 0.000 0.306 1231 A C -0.572 176.924 177.584 -0.146 0.000 1.054 1231 A CA -0.689 51.273 52.037 -0.126 0.000 0.724 1231 A CB 1.981 20.893 19.000 -0.146 0.000 1.267 1231 A HN 0.376 nan 8.150 nan 0.000 0.418 1232 T N 1.032 115.483 114.554 -0.171 0.000 2.916 1232 T HA 0.503 4.852 4.350 -0.000 0.000 0.298 1232 T C -1.024 173.579 174.700 -0.163 0.000 1.031 1232 T CA -0.382 61.632 62.100 -0.144 0.000 0.993 1232 T CB 1.526 70.334 68.868 -0.101 0.000 1.045 1232 T HN 1.015 nan 8.240 nan 0.000 0.454 1233 V N 3.456 123.296 119.914 -0.123 0.000 2.481 1233 V HA 0.738 4.858 4.120 -0.000 0.000 0.286 1233 V C -0.529 175.571 176.094 0.010 0.000 1.042 1233 V CA 0.111 62.366 62.300 -0.076 0.000 0.928 1233 V CB 1.581 33.391 31.823 -0.023 0.000 0.986 1233 V HN 1.004 nan 8.190 nan 0.000 0.462 1234 T N 7.975 122.516 114.554 -0.021 0.000 2.848 1234 T HA 0.565 4.915 4.350 -0.000 0.000 0.285 1234 T C -0.685 173.958 174.700 -0.095 0.000 0.995 1234 T CA -0.307 61.787 62.100 -0.011 0.000 0.970 1234 T CB 1.228 70.081 68.868 -0.025 0.000 0.976 1234 T HN 0.548 nan 8.240 nan 0.000 0.441 1235 L N 3.313 124.428 121.223 -0.181 0.000 2.307 1235 L HA 0.734 5.074 4.340 -0.000 0.000 0.284 1235 L C 0.192 176.909 176.870 -0.255 0.000 1.023 1235 L CA -0.605 53.952 54.840 -0.472 0.000 0.810 1235 L CB 1.511 42.990 42.059 -0.967 0.000 1.231 1235 L HN 0.764 nan 8.230 nan 0.000 0.423 1236 S N 0.589 116.234 115.700 -0.092 0.000 2.588 1236 S HA 0.524 4.994 4.470 -0.000 0.000 0.275 1236 S C -1.261 173.461 174.600 0.203 0.000 1.130 1236 S CA -0.880 57.352 58.200 0.054 0.000 0.855 1236 S CB 2.245 65.453 63.200 0.014 0.000 1.116 1236 S HN 0.654 nan 8.310 nan 0.000 0.472 1237 H N 1.118 120.226 119.070 0.063 0.000 2.538 1237 H HA 0.427 4.982 4.556 -0.000 0.000 0.353 1237 H C 0.236 175.571 175.328 0.012 0.000 1.109 1237 H CA -0.649 55.424 56.048 0.041 0.000 1.192 1237 H CB 1.901 31.672 29.762 0.016 0.000 1.555 1237 H HN 0.948 nan 8.280 nan 0.000 0.518 1238 K N 2.103 122.174 120.400 -0.548 0.000 2.190 1238 K HA 0.072 4.391 4.320 -0.000 0.000 0.202 1238 K C 0.779 177.194 176.600 -0.308 0.000 1.045 1238 K CA 0.163 56.266 56.287 -0.307 0.000 0.976 1238 K CB -0.008 32.364 32.500 -0.214 0.000 0.849 1238 K HN 0.303 nan 8.250 nan 0.000 0.468 1239 S N 0.155 115.543 115.700 -0.520 0.000 2.603 1239 S HA 0.046 4.515 4.470 -0.000 0.000 0.268 1239 S C 0.614 175.217 174.600 0.005 0.000 1.317 1239 S CA -0.358 57.730 58.200 -0.187 0.000 1.012 1239 S CB 1.329 64.457 63.200 -0.119 0.000 0.926 1239 S HN 0.200 nan 8.310 nan 0.000 0.539 1240 T N 1.566 116.132 114.554 0.020 0.000 3.188 1240 T HA 0.128 4.478 4.350 -0.000 0.000 0.250 1240 T C 0.317 175.044 174.700 0.045 0.000 1.077 1240 T CA -0.194 61.930 62.100 0.039 0.000 0.967 1240 T CB -0.821 68.053 68.868 0.011 0.000 1.006 1240 T HN 0.710 nan 8.240 nan 0.000 0.552 1241 D N 0.235 120.679 120.400 0.075 0.000 2.429 1241 D HA 0.047 4.687 4.640 -0.000 0.000 0.233 1241 D C 1.380 177.665 176.300 -0.024 0.000 1.202 1241 D CA 0.492 54.513 54.000 0.035 0.000 0.879 1241 D CB 0.727 41.570 40.800 0.072 0.000 1.212 1241 D HN 0.299 nan 8.370 nan 0.000 0.465 1242 G N 0.454 109.206 108.800 -0.080 0.000 3.088 1242 G HA2 0.378 4.337 3.960 -0.000 0.000 0.217 1242 G HA3 0.378 4.337 3.960 -0.000 0.000 0.217 1242 G C 0.383 175.098 174.900 -0.307 0.000 1.159 1242 G CA 0.541 45.553 45.100 -0.146 0.000 0.760 1242 G HN 0.607 nan 8.290 nan 0.000 0.550 1243 A N 0.068 122.712 122.820 -0.292 0.000 2.304 1243 A HA 0.662 4.982 4.320 -0.000 0.000 0.271 1243 A C -0.557 176.734 177.584 -0.490 0.000 1.091 1243 A CA -0.499 51.297 52.037 -0.402 0.000 0.812 1243 A CB 0.369 19.242 19.000 -0.212 0.000 1.056 1243 A HN 0.490 nan 8.150 nan 0.000 0.489 1244 H N -0.632 118.289 119.070 -0.249 0.000 2.502 1244 H HA 0.556 5.112 4.556 -0.000 0.000 0.338 1244 H C -0.405 174.652 175.328 -0.452 0.000 1.155 1244 H CA -0.323 55.477 56.048 -0.414 0.000 1.237 1244 H CB 1.628 31.105 29.762 -0.474 0.000 1.534 1244 H HN 0.574 nan 8.280 nan 0.000 0.523 1245 T N 2.205 116.495 114.554 -0.440 0.000 2.829 1245 T HA 0.300 4.649 4.350 -0.000 0.000 0.280 1245 T C -1.048 173.278 174.700 -0.624 0.000 0.999 1245 T CA -0.746 61.087 62.100 -0.445 0.000 0.983 1245 T CB 0.471 69.121 68.868 -0.362 0.000 0.968 1245 T HN 0.349 nan 8.240 nan 0.000 0.446 1246 Y N 1.570 121.582 120.300 -0.480 0.000 2.377 1246 Y HA 0.675 5.224 4.550 -0.000 0.000 0.339 1246 Y C -0.429 175.077 175.900 -0.657 0.000 1.011 1246 Y CA -1.082 56.761 58.100 -0.427 0.000 1.093 1246 Y CB 1.160 39.453 38.460 -0.278 0.000 1.201 1246 Y HN 0.540 nan 8.280 nan 0.000 0.455 1247 F N 1.337 121.233 119.950 -0.089 0.000 2.577 1247 F HA 0.541 5.068 4.527 -0.000 0.000 0.318 1247 F C -0.476 175.422 175.800 0.164 0.000 1.065 1247 F CA -0.840 57.149 58.000 -0.018 0.000 0.929 1247 F CB 2.112 41.026 39.000 -0.143 0.000 1.237 1247 F HN 0.405 nan 8.300 nan 0.000 0.468 1248 D N 0.251 121.022 120.400 0.618 0.000 2.648 1248 D HA 0.242 4.881 4.640 -0.000 0.000 0.244 1248 D C -1.757 174.831 176.300 0.479 0.000 1.244 1248 D CA -0.248 54.083 54.000 0.551 0.000 0.772 1248 D CB 1.554 42.575 40.800 0.369 0.000 1.379 1248 D HN 0.570 nan 8.370 nan 0.000 0.428 1249 D N 0.869 121.481 120.400 0.355 0.000 2.990 1249 D HA -0.100 4.540 4.640 -0.000 0.000 0.245 1249 D C -0.348 176.034 176.300 0.138 0.000 1.120 1249 D CA 0.383 54.508 54.000 0.210 0.000 0.838 1249 D CB -1.190 39.758 40.800 0.247 0.000 1.000 1249 D HN 0.111 nan 8.370 nan 0.000 0.420 1250 V N 1.357 121.339 119.914 0.114 0.000 2.446 1250 V HA 0.068 4.188 4.120 -0.000 0.000 0.276 1250 V C 1.190 177.248 176.094 -0.060 0.000 1.030 1250 V CA 0.380 62.716 62.300 0.060 0.000 1.033 1250 V CB 0.888 32.814 31.823 0.171 0.000 0.993 1250 V HN 0.207 nan 8.190 nan 0.000 0.477 1251 R N 4.871 125.221 120.500 -0.250 0.000 2.409 1251 R HA 0.602 4.942 4.340 -0.000 0.000 0.313 1251 R C -1.302 174.822 176.300 -0.294 0.000 0.953 1251 R CA -0.719 55.163 56.100 -0.362 0.000 0.849 1251 R CB 1.148 30.990 30.300 -0.763 0.000 1.171 1251 R HN 0.640 nan 8.270 nan 0.000 0.458 1252 I N 5.543 126.078 120.570 -0.058 0.000 2.312 1252 I HA 0.280 4.450 4.170 -0.000 0.000 0.290 1252 I C -0.567 175.633 176.117 0.139 0.000 1.008 1252 I CA -0.539 60.784 61.300 0.039 0.000 1.226 1252 I CB 1.760 39.773 38.000 0.022 0.000 1.371 1252 I HN 0.250 nan 8.210 nan 0.000 0.468 1253 V N 2.286 122.296 119.914 0.160 0.000 2.841 1253 V HA 0.483 4.603 4.120 -0.000 0.000 0.310 1253 V C -0.226 175.937 176.094 0.114 0.000 1.090 1253 V CA -1.152 61.255 62.300 0.177 0.000 0.930 1253 V CB 1.589 33.480 31.823 0.113 0.000 1.014 1253 V HN 0.588 nan 8.190 nan 0.000 0.425 1254 E N 3.308 123.463 120.200 -0.075 0.000 2.465 1254 E HA 0.159 4.509 4.350 -0.000 0.000 0.260 1254 E C -0.451 176.042 176.600 -0.179 0.000 0.980 1254 E CA 0.372 56.520 56.400 -0.420 0.000 0.927 1254 E CB 0.441 29.927 29.700 -0.358 0.000 0.934 1254 E HN 0.689 nan 8.360 nan 0.000 0.459 1255 N N 1.807 120.393 118.700 -0.191 0.000 2.521 1255 N HA -0.009 4.730 4.740 -0.000 0.000 0.269 1255 N C -0.760 174.731 175.510 -0.031 0.000 1.079 1255 N CA -0.312 52.721 53.050 -0.029 0.000 0.980 1255 N CB 1.374 39.930 38.487 0.115 0.000 1.667 1255 N HN 0.236 nan 8.380 nan 0.000 0.498 1256 Q N 1.820 121.610 119.800 -0.016 0.000 2.220 1256 Q HA 0.083 4.423 4.340 -0.000 0.000 0.205 1256 Q C -0.472 175.495 176.000 -0.055 0.000 0.865 1256 Q CA -0.197 55.578 55.803 -0.046 0.000 0.960 1256 Q CB -0.301 28.407 28.738 -0.049 0.000 1.097 1256 Q HN 0.527 nan 8.270 nan 0.000 0.493 1257 Y N 2.078 122.280 120.300 -0.163 0.000 2.526 1257 Y HA 0.077 4.627 4.550 -0.000 0.000 0.330 1257 Y C 0.448 176.108 175.900 -0.401 0.000 1.156 1257 Y CA 0.211 58.118 58.100 -0.322 0.000 1.419 1257 Y CB 0.632 38.779 38.460 -0.522 0.000 1.250 1257 Y HN 0.013 nan 8.280 nan 0.000 0.540 1258 S N 2.237 117.284 115.700 -1.088 0.000 2.949 1258 S HA 0.243 4.713 4.470 -0.000 0.000 0.246 1258 S C 0.645 174.716 174.600 -0.880 0.000 0.899 1258 S CA -0.143 57.564 58.200 -0.822 0.000 1.091 1258 S CB -0.026 62.943 63.200 -0.385 0.000 1.199 1258 S HN 0.899 nan 8.310 nan 0.000 0.507 1259 G N 1.105 108.984 108.800 -1.536 0.000 3.141 1259 G HA2 0.388 4.348 3.960 -0.000 0.000 0.218 1259 G HA3 0.388 4.348 3.960 -0.000 0.000 0.218 1259 G C 0.190 174.892 174.900 -0.330 0.000 1.170 1259 G CA -0.168 44.491 45.100 -0.734 0.000 0.769 1259 G HN 0.586 nan 8.290 nan 0.000 0.546 1260 I N 1.447 121.821 120.570 -0.327 0.000 2.336 1260 I HA 0.296 4.466 4.170 -0.000 0.000 0.292 1260 I C -0.413 175.515 176.117 -0.316 0.000 0.991 1260 I CA -0.268 60.898 61.300 -0.225 0.000 1.227 1260 I CB 2.050 39.964 38.000 -0.143 0.000 1.366 1260 I HN -0.173 nan 8.210 nan 0.000 0.466 1261 T N 5.232 119.593 114.554 -0.320 0.000 2.807 1261 T HA 0.522 4.872 4.350 -0.000 0.000 0.279 1261 T C -0.792 173.734 174.700 -0.290 0.000 0.993 1261 T CA -0.479 61.486 62.100 -0.224 0.000 0.970 1261 T CB 0.877 69.689 68.868 -0.094 0.000 0.950 1261 T HN 0.149 nan 8.240 nan 0.000 0.441 1262 Y N 0.931 121.263 120.300 0.053 0.000 2.453 1262 Y HA 0.467 5.016 4.550 -0.000 0.000 0.326 1262 Y C 1.095 177.025 175.900 0.050 0.000 1.186 1262 Y CA -1.212 56.925 58.100 0.062 0.000 1.200 1262 Y CB 0.835 39.336 38.460 0.067 0.000 1.247 1262 Y HN 0.457 nan 8.280 nan 0.000 0.482 1263 E N 0.484 120.822 120.200 0.230 0.000 2.376 1263 E HA 0.062 4.412 4.350 -0.000 0.000 0.254 1263 E C 0.745 177.419 176.600 0.123 0.000 1.213 1263 E CA -0.195 56.289 56.400 0.139 0.000 0.945 1263 E CB 0.753 30.521 29.700 0.113 0.000 1.057 1263 E HN 0.504 nan 8.360 nan 0.000 0.479 1264 K N 0.870 121.315 120.400 0.076 0.000 2.063 1264 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 1264 K C 1.177 177.802 176.600 0.041 0.000 1.048 1264 K CA 1.902 58.221 56.287 0.053 0.000 0.928 1264 K CB -0.189 32.332 32.500 0.034 0.000 0.713 1264 K HN 0.451 nan 8.250 nan 0.000 0.442 1265 D N -2.141 118.285 120.400 0.043 0.000 2.363 1265 D HA 0.040 4.680 4.640 -0.000 0.000 0.220 1265 D C 1.032 177.346 176.300 0.024 0.000 0.994 1265 D CA 0.918 54.935 54.000 0.028 0.000 0.890 1265 D CB 0.112 40.930 40.800 0.029 0.000 0.906 1265 D HN 0.292 nan 8.370 nan 0.000 0.530 1266 G N -0.161 108.668 108.800 0.048 0.000 2.179 1266 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.220 1266 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.220 1266 G C 0.508 175.491 174.900 0.137 0.000 0.990 1266 G CA 0.294 45.396 45.100 0.004 0.000 0.646 1266 G HN 0.754 nan 8.290 nan 0.000 0.517 1267 T N -1.024 113.635 114.554 0.175 0.000 2.788 1267 T HA 0.626 4.975 4.350 -0.000 0.000 0.287 1267 T C 0.618 175.496 174.700 0.297 0.000 1.007 1267 T CA -0.172 62.059 62.100 0.218 0.000 1.005 1267 T CB 1.914 70.881 68.868 0.166 0.000 1.012 1267 T HN 1.054 nan 8.240 nan 0.000 0.530 1268 L N 1.189 122.555 121.223 0.238 0.000 2.410 1268 L HA 0.336 4.676 4.340 -0.000 0.000 0.273 1268 L C 1.241 178.216 176.870 0.176 0.000 1.144 1268 L CA 0.347 55.279 54.840 0.152 0.000 0.863 1268 L CB 0.316 42.404 42.059 0.047 0.000 1.140 1268 L HN 0.933 nan 8.230 nan 0.000 0.463 1269 K N 2.147 122.596 120.400 0.082 0.000 2.172 1269 K HA 0.212 4.532 4.320 -0.000 0.000 0.203 1269 K C -0.153 176.485 176.600 0.064 0.000 1.040 1269 K CA 0.710 57.044 56.287 0.078 0.000 0.974 1269 K CB 0.358 32.886 32.500 0.048 0.000 0.857 1269 K HN 0.788 nan 8.250 nan 0.000 0.464 1270 S N -0.275 115.420 115.700 -0.008 0.000 2.550 1270 S HA 0.469 4.939 4.470 -0.000 0.000 0.270 1270 S C -1.381 173.179 174.600 -0.065 0.000 1.145 1270 S CA -1.071 57.125 58.200 -0.007 0.000 0.852 1270 S CB 1.656 64.850 63.200 -0.011 0.000 1.119 1270 S HN 0.176 nan 8.310 nan 0.000 0.465 1271 L N 2.407 123.607 121.223 -0.038 0.000 2.406 1271 L HA 0.768 5.108 4.340 -0.000 0.000 0.272 1271 L C -0.717 176.144 176.870 -0.014 0.000 0.980 1271 L CA -0.174 54.643 54.840 -0.038 0.000 0.831 1271 L CB 2.018 44.030 42.059 -0.078 0.000 1.253 1271 L HN 1.125 nan 8.230 nan 0.000 0.406 1272 T N 0.662 115.216 114.554 -0.001 0.000 2.912 1272 T HA 0.607 4.957 4.350 -0.000 0.000 0.288 1272 T C -0.691 174.027 174.700 0.030 0.000 1.030 1272 T CA -0.788 61.312 62.100 -0.001 0.000 1.020 1272 T CB 1.840 70.694 68.868 -0.023 0.000 1.056 1272 T HN 0.485 nan 8.240 nan 0.000 0.480 1273 N N -0.067 118.587 118.700 -0.078 0.000 2.542 1273 N HA 0.420 5.160 4.740 -0.000 0.000 0.288 1273 N C 0.474 175.753 175.510 -0.384 0.000 1.115 1273 N CA -0.337 52.555 53.050 -0.263 0.000 0.924 1273 N CB 1.655 39.780 38.487 -0.603 0.000 1.526 1273 N HN 0.918 nan 8.380 nan 0.000 0.515 1274 G N 1.371 110.078 108.800 -0.155 0.000 3.042 1274 G HA2 0.126 4.085 3.960 -0.000 0.000 0.212 1274 G HA3 0.126 4.085 3.960 -0.000 0.000 0.212 1274 G C -0.050 174.978 174.900 0.214 0.000 1.166 1274 G CA -0.195 44.942 45.100 0.062 0.000 0.767 1274 G HN 0.634 nan 8.290 nan 0.000 0.546 1275 F N -0.343 119.684 119.950 0.128 0.000 2.988 1275 F HA -0.184 4.343 4.527 -0.000 0.000 0.287 1275 F C 1.417 177.250 175.800 0.056 0.000 0.781 1275 F CA 0.830 58.876 58.000 0.077 0.000 1.221 1275 F CB -1.493 37.556 39.000 0.082 0.000 1.392 1275 F HN 0.223 nan 8.300 nan 0.000 0.425 1276 E N -0.158 120.146 120.200 0.174 0.000 2.442 1276 E HA 0.073 4.422 4.350 -0.000 0.000 0.195 1276 E C 0.597 177.215 176.600 0.029 0.000 1.030 1276 E CA 0.721 57.234 56.400 0.189 0.000 0.869 1276 E CB -0.132 29.695 29.700 0.211 0.000 0.857 1276 E HN 0.657 nan 8.360 nan 0.000 0.505 1277 N N 0.740 119.441 118.700 0.002 0.000 2.451 1277 N HA 0.075 4.814 4.740 -0.000 0.000 0.271 1277 N C -0.784 174.681 175.510 -0.075 0.000 1.410 1277 N CA -0.229 52.810 53.050 -0.017 0.000 0.884 1277 N CB 0.439 38.967 38.487 0.068 0.000 1.332 1277 N HN -0.128 nan 8.380 nan 0.000 0.498 1278 N N 1.126 119.747 118.700 -0.132 0.000 2.431 1278 N HA 0.140 4.879 4.740 -0.000 0.000 0.265 1278 N C 1.047 176.492 175.510 -0.108 0.000 1.184 1278 N CA -0.075 52.892 53.050 -0.139 0.000 0.943 1278 N CB 1.020 39.466 38.487 -0.067 0.000 1.080 1278 N HN 0.267 nan 8.380 nan 0.000 0.477 1279 A N 3.150 125.954 122.820 -0.026 0.000 1.908 1279 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 1279 A C 0.525 178.117 177.584 0.015 0.000 1.181 1279 A CA 1.694 53.777 52.037 0.076 0.000 0.627 1279 A CB -0.263 18.905 19.000 0.280 0.000 0.818 1279 A HN 0.791 nan 8.150 nan 0.000 0.445 1280 Q N -5.004 114.763 119.800 -0.055 0.000 2.633 1280 Q HA 0.536 4.875 4.340 -0.000 0.000 0.289 1280 Q C -0.042 175.924 176.000 -0.057 0.000 0.940 1280 Q CA -0.279 55.478 55.803 -0.077 0.000 0.785 1280 Q CB 0.233 28.925 28.738 -0.075 0.000 1.467 1280 Q HN 1.764 nan 8.270 nan 0.000 0.401 1281 G N 0.666 109.438 108.800 -0.046 0.000 2.698 1281 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.233 1281 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.233 1281 G C 0.223 175.127 174.900 0.006 0.000 1.352 1281 G CA 0.003 45.093 45.100 -0.016 0.000 0.879 1281 G HN 1.706 nan 8.290 nan 0.000 0.567 1282 I N -3.890 116.689 120.570 0.015 0.000 3.856 1282 I HA 0.423 4.593 4.170 -0.000 0.000 0.333 1282 I C 0.769 176.989 176.117 0.172 0.000 1.525 1282 I CA -0.640 60.669 61.300 0.015 0.000 1.173 1282 I CB -0.064 37.806 38.000 -0.217 0.000 1.175 1282 I HN 0.507 nan 8.210 nan 0.000 0.424 1283 W N 5.393 126.651 121.300 -0.069 0.000 2.571 1283 W HA 0.004 4.664 4.660 -0.000 0.000 0.334 1283 W C -1.558 174.848 176.519 -0.189 0.000 1.141 1283 W CA -0.522 56.696 57.345 -0.211 0.000 1.299 1283 W CB 0.733 29.905 29.460 -0.480 0.000 1.154 1283 W HN 0.131 nan 8.180 nan 0.000 0.563 1284 P HA -0.026 nan 4.420 nan 0.000 0.249 1284 P C -0.246 176.500 177.300 -0.923 0.000 1.229 1284 P CA 0.456 62.465 63.100 -1.819 0.000 0.788 1284 P CB -0.116 30.463 31.700 -1.869 0.000 1.072 1285 F N 1.341 121.067 119.950 -0.373 0.000 2.406 1285 F HA 0.253 4.780 4.527 -0.000 0.000 0.327 1285 F C 1.263 176.955 175.800 -0.180 0.000 1.153 1285 F CA -0.698 57.150 58.000 -0.253 0.000 1.218 1285 F CB 0.408 39.237 39.000 -0.285 0.000 1.215 1285 F HN -0.255 nan 8.300 nan 0.000 0.570 1286 V N -0.402 119.573 119.914 0.102 0.000 2.823 1286 V HA 0.655 4.775 4.120 -0.000 0.000 0.312 1286 V C -0.624 175.517 176.094 0.079 0.000 1.072 1286 V CA -1.173 61.163 62.300 0.060 0.000 0.937 1286 V CB 1.222 33.073 31.823 0.046 0.000 1.013 1286 V HN 0.505 nan 8.190 nan 0.000 0.430 1287 V N 3.582 123.539 119.914 0.072 0.000 2.673 1287 V HA 0.269 4.389 4.120 -0.000 0.000 0.303 1287 V C 0.979 177.141 176.094 0.114 0.000 1.046 1287 V CA 1.166 63.522 62.300 0.094 0.000 1.126 1287 V CB 0.980 32.864 31.823 0.101 0.000 0.934 1287 V HN 1.212 nan 8.190 nan 0.000 0.487 1288 S N 3.167 118.876 115.700 0.016 0.000 2.623 1288 S HA 0.572 5.042 4.470 -0.000 0.000 0.287 1288 S C 1.151 175.485 174.600 -0.443 0.000 1.123 1288 S CA 0.111 58.249 58.200 -0.103 0.000 1.016 1288 S CB 1.264 64.329 63.200 -0.226 0.000 1.233 1288 S HN 0.947 nan 8.310 nan 0.000 0.512 1289 G N 0.677 109.003 108.800 -0.790 0.000 3.434 1289 G HA2 0.125 4.085 3.960 -0.000 0.000 0.258 1289 G HA3 0.125 4.085 3.960 -0.000 0.000 0.258 1289 G C 1.135 175.676 174.900 -0.598 0.000 1.128 1289 G CA 0.516 44.818 45.100 -1.330 0.000 0.792 1289 G HN 0.715 nan 8.290 nan 0.000 0.539 1290 S N -0.090 115.375 115.700 -0.391 0.000 2.469 1290 S HA -0.037 4.433 4.470 -0.000 0.000 0.238 1290 S C 1.364 175.857 174.600 -0.179 0.000 0.998 1290 S CA 1.174 59.218 58.200 -0.260 0.000 0.957 1290 S CB -0.019 63.035 63.200 -0.244 0.000 0.764 1290 S HN 0.462 nan 8.310 nan 0.000 0.514 1291 E N 0.547 120.650 120.200 -0.161 0.000 2.603 1291 E HA 0.399 4.749 4.350 -0.000 0.000 0.211 1291 E C 1.006 177.590 176.600 -0.026 0.000 0.995 1291 E CA -0.051 56.311 56.400 -0.063 0.000 0.990 1291 E CB 0.807 30.495 29.700 -0.020 0.000 1.036 1291 E HN 0.588 nan 8.360 nan 0.000 0.475 1292 G N 1.174 109.912 108.800 -0.104 0.000 2.601 1292 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.252 1292 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.252 1292 G C 0.028 175.041 174.900 0.189 0.000 1.294 1292 G CA -0.375 44.738 45.100 0.021 0.000 0.912 1292 G HN 0.104 nan 8.290 nan 0.000 0.574 1293 V N 1.724 121.799 119.914 0.268 0.000 2.446 1293 V HA 0.535 4.655 4.120 -0.000 0.000 0.276 1293 V C 0.467 176.653 176.094 0.153 0.000 1.030 1293 V CA 1.424 63.867 62.300 0.239 0.000 1.033 1293 V CB 0.874 32.790 31.823 0.155 0.000 0.993 1293 V HN 0.983 nan 8.190 nan 0.000 0.477 1294 E N 3.117 123.412 120.200 0.158 0.000 2.430 1294 E HA 0.327 4.677 4.350 -0.000 0.000 0.279 1294 E C -1.317 175.354 176.600 0.118 0.000 1.003 1294 E CA -0.775 55.710 56.400 0.143 0.000 0.801 1294 E CB 1.608 31.416 29.700 0.180 0.000 1.313 1294 E HN 0.502 nan 8.360 nan 0.000 0.459 1295 D N 2.284 122.706 120.400 0.036 0.000 2.489 1295 D HA 0.130 4.770 4.640 -0.000 0.000 0.237 1295 D C -0.669 175.811 176.300 0.299 0.000 1.212 1295 D CA 0.071 53.947 54.000 -0.208 0.000 1.058 1295 D CB -0.693 39.545 40.800 -0.937 0.000 1.098 1295 D HN 0.291 nan 8.370 nan 0.000 0.509 1296 N N 0.614 119.528 118.700 0.357 0.000 2.454 1296 N HA 0.021 4.761 4.740 -0.000 0.000 0.254 1296 N C 0.667 176.331 175.510 0.257 0.000 1.228 1296 N CA 0.019 53.226 53.050 0.262 0.000 0.900 1296 N CB 0.667 39.266 38.487 0.187 0.000 1.089 1296 N HN 0.115 nan 8.380 nan 0.000 0.449 1297 R N 1.662 122.139 120.500 -0.040 0.000 3.907 1297 R HA 0.250 4.589 4.340 -0.000 0.000 0.241 1297 R C -0.455 175.815 176.300 -0.050 0.000 1.784 1297 R CA 0.185 56.156 56.100 -0.214 0.000 1.509 1297 R CB -0.729 29.219 30.300 -0.586 0.000 1.275 1297 R HN 0.522 nan 8.270 nan 0.000 0.642 1298 I N 0.895 121.506 120.570 0.068 0.000 2.534 1298 I HA 0.309 4.478 4.170 -0.000 0.000 0.288 1298 I C -0.117 176.089 176.117 0.148 0.000 1.077 1298 I CA -0.944 60.410 61.300 0.089 0.000 1.051 1298 I CB 1.709 39.737 38.000 0.047 0.000 1.234 1298 I HN 0.257 nan 8.210 nan 0.000 0.425 1299 H N 5.216 124.215 119.070 -0.118 0.000 2.883 1299 H HA 0.454 5.009 4.556 -0.000 0.000 0.277 1299 H C -1.896 173.358 175.328 -0.123 0.000 1.451 1299 H CA -1.201 54.769 56.048 -0.129 0.000 1.157 1299 H CB 0.833 30.498 29.762 -0.161 0.000 1.851 1299 H HN 0.390 nan 8.280 nan 0.000 0.566 1300 L N 2.764 123.796 121.223 -0.317 0.000 2.283 1300 L HA 0.279 4.619 4.340 -0.000 0.000 0.287 1300 L C 0.549 177.241 176.870 -0.296 0.000 1.073 1300 L CA -0.578 54.116 54.840 -0.243 0.000 0.822 1300 L CB 0.890 42.908 42.059 -0.068 0.000 1.186 1300 L HN 0.628 nan 8.230 nan 0.000 0.436 1301 S N 2.212 117.679 115.700 -0.389 0.000 2.580 1301 S HA 0.335 4.804 4.470 -0.000 0.000 0.274 1301 S C -0.368 174.167 174.600 -0.108 0.000 1.329 1301 S CA -0.778 57.264 58.200 -0.263 0.000 1.036 1301 S CB 2.015 65.073 63.200 -0.238 0.000 0.919 1301 S HN 0.655 nan 8.310 nan 0.000 0.515 1302 E N 0.778 120.829 120.200 -0.248 0.000 2.266 1302 E HA 0.447 4.797 4.350 -0.000 0.000 0.268 1302 E C -1.307 175.049 176.600 -0.406 0.000 0.879 1302 E CA -1.021 54.991 56.400 -0.647 0.000 0.762 1302 E CB 1.289 30.538 29.700 -0.751 0.000 1.199 1302 E HN 0.609 nan 8.360 nan 0.000 0.422 1303 L N 4.668 125.621 121.223 -0.450 0.000 2.367 1303 L HA 0.215 4.555 4.340 -0.000 0.000 0.275 1303 L C -0.961 175.850 176.870 -0.100 0.000 1.129 1303 L CA 0.452 55.150 54.840 -0.236 0.000 0.839 1303 L CB 0.507 42.432 42.059 -0.224 0.000 1.133 1303 L HN 0.656 nan 8.230 nan 0.000 0.453 1304 H N 5.277 124.251 119.070 -0.160 0.000 2.895 1304 H HA 0.464 5.019 4.556 -0.000 0.000 0.282 1304 H C -1.001 174.284 175.328 -0.072 0.000 1.338 1304 H CA -0.455 55.539 56.048 -0.090 0.000 1.595 1304 H CB 0.887 30.617 29.762 -0.053 0.000 1.771 1304 H HN 0.925 nan 8.280 nan 0.000 0.573 1305 A N 4.232 126.919 122.820 -0.222 0.000 2.407 1305 A HA 0.251 4.571 4.320 -0.000 0.000 0.248 1305 A C -1.424 175.793 177.584 -0.612 0.000 1.082 1305 A CA -1.011 50.819 52.037 -0.345 0.000 0.785 1305 A CB 0.310 19.182 19.000 -0.212 0.000 1.020 1305 A HN 0.666 nan 8.150 nan 0.000 0.489 1306 P HA 0.054 nan 4.420 nan 0.000 0.245 1306 P C 0.639 177.576 177.300 -0.605 0.000 1.206 1306 P CA 0.568 63.299 63.100 -0.615 0.000 0.781 1306 P CB 0.023 31.410 31.700 -0.521 0.000 0.994 1307 F N 1.383 121.008 119.950 -0.543 0.000 2.234 1307 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 1307 F C 2.326 177.892 175.800 -0.392 0.000 1.087 1307 F CA 1.744 59.292 58.000 -0.753 0.000 1.340 1307 F CB -1.866 36.473 39.000 -1.102 0.000 1.031 1307 F HN -0.011 nan 8.300 nan 0.000 0.500 1308 T N -2.253 112.209 114.554 -0.154 0.000 3.129 1308 T HA 0.136 4.486 4.350 -0.000 0.000 0.251 1308 T C 0.936 175.585 174.700 -0.085 0.000 1.117 1308 T CA -0.132 61.914 62.100 -0.089 0.000 1.034 1308 T CB -0.073 68.743 68.868 -0.087 0.000 0.968 1308 T HN -0.090 nan 8.240 nan 0.000 0.526 1309 R N 1.269 121.712 120.500 -0.096 0.000 2.536 1309 R HA 0.715 5.055 4.340 -0.000 0.000 0.279 1309 R C 0.282 176.543 176.300 -0.064 0.000 1.001 1309 R CA -0.427 55.620 56.100 -0.088 0.000 1.027 1309 R CB 1.004 31.242 30.300 -0.104 0.000 1.096 1309 R HN 0.359 nan 8.270 nan 0.000 0.502 1310 A N 0.388 123.158 122.820 -0.084 0.000 2.561 1310 A HA 0.325 4.645 4.320 -0.000 0.000 0.234 1310 A C 1.264 178.815 177.584 -0.054 0.000 1.055 1310 A CA 1.185 53.168 52.037 -0.091 0.000 0.756 1310 A CB -0.375 18.569 19.000 -0.094 0.000 0.986 1310 A HN 0.935 nan 8.150 nan 0.000 0.505 1311 G N 0.089 108.854 108.800 -0.059 0.000 2.213 1311 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.236 1311 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.236 1311 G C 0.069 174.971 174.900 0.003 0.000 0.991 1311 G CA 0.337 45.415 45.100 -0.035 0.000 0.629 1311 G HN 1.488 nan 8.290 nan 0.000 0.517 1312 W N 2.275 123.512 121.300 -0.105 0.000 2.287 1312 W HA 0.499 5.159 4.660 -0.000 0.000 0.313 1312 W C 0.890 177.416 176.519 0.012 0.000 1.267 1312 W CA 0.992 58.318 57.345 -0.032 0.000 1.201 1312 W CB 0.500 29.959 29.460 -0.002 0.000 1.196 1312 W HN 0.599 nan 8.180 nan 0.000 0.536 1313 D N 1.456 121.333 120.400 -0.872 0.000 3.417 1313 D HA -0.345 4.295 4.640 -0.000 0.000 0.163 1313 D C 0.804 176.972 176.300 -0.220 0.000 1.070 1313 D CA 3.520 57.159 54.000 -0.602 0.000 1.047 1313 D CB -0.651 39.778 40.800 -0.618 0.000 0.514 1313 D HN 0.665 nan 8.370 nan 0.000 0.532 1314 V N -1.859 118.010 119.914 -0.076 0.000 3.514 1314 V HA 0.343 4.463 4.120 -0.000 0.000 0.301 1314 V C 0.702 176.662 176.094 -0.224 0.000 1.346 1314 V CA 0.691 62.960 62.300 -0.051 0.000 1.156 1314 V CB -0.178 31.712 31.823 0.112 0.000 1.029 1314 V HN 0.398 nan 8.190 nan 0.000 0.428 1315 K N 1.597 121.734 120.400 -0.439 0.000 2.368 1315 K HA 0.270 4.590 4.320 -0.000 0.000 0.282 1315 K C 0.675 177.093 176.600 -0.304 0.000 1.035 1315 K CA -0.152 55.795 56.287 -0.567 0.000 0.973 1315 K CB 0.569 32.681 32.500 -0.647 0.000 0.957 1315 K HN 0.160 nan 8.250 nan 0.000 0.474 1316 K N 3.428 123.637 120.400 -0.318 0.000 2.440 1316 K HA 0.127 4.447 4.320 -0.000 0.000 0.207 1316 K C 0.084 176.567 176.600 -0.195 0.000 1.112 1316 K CA 0.131 56.279 56.287 -0.231 0.000 1.036 1316 K CB 0.470 32.812 32.500 -0.263 0.000 0.935 1316 K HN 0.622 nan 8.250 nan 0.000 0.564 1317 M N 1.599 121.073 119.600 -0.210 0.000 2.456 1317 M HA 0.274 4.754 4.480 -0.000 0.000 0.324 1317 M C -1.423 174.797 176.300 -0.134 0.000 1.124 1317 M CA -0.484 54.723 55.300 -0.155 0.000 0.959 1317 M CB 1.594 34.107 32.600 -0.144 0.000 1.692 1317 M HN -0.144 nan 8.290 nan 0.000 0.444 1318 D N 2.856 123.186 120.400 -0.116 0.000 2.350 1318 D HA 0.077 4.717 4.640 -0.000 0.000 0.249 1318 D C 0.105 176.342 176.300 -0.105 0.000 1.119 1318 D CA -0.008 53.929 54.000 -0.106 0.000 0.886 1318 D CB 1.221 41.961 40.800 -0.100 0.000 1.195 1318 D HN 0.552 nan 8.370 nan 0.000 0.437 1319 D N 0.412 120.755 120.400 -0.095 0.000 2.178 1319 D HA -0.043 4.597 4.640 -0.000 0.000 0.202 1319 D C 0.393 176.624 176.300 -0.114 0.000 0.974 1319 D CA 0.958 54.901 54.000 -0.096 0.000 0.841 1319 D CB 0.496 41.248 40.800 -0.080 0.000 0.953 1319 D HN 0.106 nan 8.370 nan 0.000 0.478 1320 V N 1.105 120.954 119.914 -0.109 0.000 2.656 1320 V HA 0.219 4.339 4.120 -0.000 0.000 0.307 1320 V C 0.968 177.018 176.094 -0.073 0.000 1.051 1320 V CA -0.526 61.716 62.300 -0.096 0.000 0.893 1320 V CB 2.608 34.358 31.823 -0.122 0.000 0.999 1320 V HN -0.106 nan 8.190 nan 0.000 0.426 1321 L N 1.170 122.368 121.223 -0.043 0.000 2.286 1321 L HA 0.432 4.771 4.340 -0.000 0.000 0.203 1321 L C 0.378 177.245 176.870 -0.004 0.000 1.068 1321 L CA 0.785 55.608 54.840 -0.029 0.000 0.811 1321 L CB 0.361 42.414 42.059 -0.010 0.000 0.989 1321 L HN 0.577 nan 8.230 nan 0.000 0.467 1322 D N -1.147 119.269 120.400 0.026 0.000 2.947 1322 D HA 0.423 5.063 4.640 -0.000 0.000 0.224 1322 D C -0.023 176.309 176.300 0.053 0.000 1.230 1322 D CA 0.855 54.878 54.000 0.039 0.000 0.871 1322 D CB 2.683 43.526 40.800 0.072 0.000 1.671 1322 D HN 0.172 nan 8.370 nan 0.000 0.507 1323 G N 2.016 110.835 108.800 0.031 0.000 2.528 1323 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.262 1323 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.262 1323 G C 0.719 175.603 174.900 -0.026 0.000 1.200 1323 G CA 0.674 45.796 45.100 0.037 0.000 0.951 1323 G HN 0.481 nan 8.290 nan 0.000 0.566 1324 T N -0.107 114.421 114.554 -0.044 0.000 2.990 1324 T HA 0.321 4.670 4.350 -0.000 0.000 0.250 1324 T C 0.032 174.364 174.700 -0.614 0.000 1.041 1324 T CA 1.232 63.129 62.100 -0.340 0.000 1.010 1324 T CB 0.137 68.769 68.868 -0.393 0.000 1.003 1324 T HN 0.423 nan 8.240 nan 0.000 0.499 1325 W N 0.819 122.131 121.300 0.020 0.000 2.915 1325 W HA 0.695 5.355 4.660 -0.000 0.000 0.337 1325 W C -0.313 176.211 176.519 0.008 0.000 1.102 1325 W CA -0.627 56.720 57.345 0.003 0.000 1.224 1325 W CB 1.540 31.025 29.460 0.041 0.000 1.416 1325 W HN -0.202 nan 8.180 nan 0.000 0.503 1326 S N 0.178 115.960 115.700 0.137 0.000 2.732 1326 S HA 0.642 5.111 4.470 -0.000 0.000 0.293 1326 S C -1.187 173.252 174.600 -0.269 0.000 1.159 1326 S CA -0.893 57.280 58.200 -0.044 0.000 0.847 1326 S CB 1.547 64.697 63.200 -0.084 0.000 1.169 1326 S HN 0.151 nan 8.310 nan 0.000 0.501 1327 V N 2.028 121.630 119.914 -0.519 0.000 2.406 1327 V HA 0.447 4.567 4.120 -0.000 0.000 0.272 1327 V C 0.038 175.922 176.094 -0.350 0.000 1.043 1327 V CA -0.259 61.708 62.300 -0.556 0.000 0.915 1327 V CB 0.850 32.182 31.823 -0.819 0.000 0.988 1327 V HN 0.685 nan 8.190 nan 0.000 0.466 1328 K N 4.143 124.360 120.400 -0.304 0.000 2.270 1328 K HA 0.723 5.043 4.320 -0.000 0.000 0.255 1328 K C -1.522 175.043 176.600 -0.058 0.000 0.936 1328 K CA -0.564 55.616 56.287 -0.179 0.000 0.809 1328 K CB 2.086 34.473 32.500 -0.189 0.000 1.131 1328 K HN 0.455 nan 8.250 nan 0.000 0.427 1329 V N 4.184 124.086 119.914 -0.019 0.000 2.417 1329 V HA 0.251 4.370 4.120 -0.000 0.000 0.291 1329 V C -0.460 175.628 176.094 -0.010 0.000 1.024 1329 V CA -0.984 61.310 62.300 -0.009 0.000 0.861 1329 V CB 1.409 33.181 31.823 -0.084 0.000 0.985 1329 V HN 0.760 nan 8.190 nan 0.000 0.436 1330 N N 3.579 122.266 118.700 -0.021 0.000 2.476 1330 N HA 0.364 5.104 4.740 -0.000 0.000 0.257 1330 N C 0.821 176.294 175.510 -0.061 0.000 0.970 1330 N CA 0.707 53.737 53.050 -0.033 0.000 0.938 1330 N CB 1.551 39.999 38.487 -0.066 0.000 1.144 1330 N HN 1.004 nan 8.380 nan 0.000 0.500 1331 G N 3.189 112.004 108.800 0.025 0.000 2.153 1331 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.252 1331 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.252 1331 G C 0.345 175.246 174.900 0.001 0.000 0.994 1331 G CA 0.229 45.335 45.100 0.009 0.000 0.698 1331 G HN 0.592 nan 8.290 nan 0.000 0.521 1332 L N 2.294 123.565 121.223 0.080 0.000 2.998 1332 L HA 0.220 4.559 4.340 -0.000 0.000 0.234 1332 L C 1.506 178.363 176.870 -0.021 0.000 1.350 1332 L CA 0.293 55.150 54.840 0.028 0.000 1.202 1332 L CB -0.815 41.260 42.059 0.027 0.000 1.583 1332 L HN 0.436 nan 8.230 nan 0.000 0.456 1333 T N -3.243 111.254 114.554 -0.096 0.000 2.868 1333 T HA 0.185 4.535 4.350 -0.000 0.000 0.292 1333 T C 0.639 175.222 174.700 -0.194 0.000 1.028 1333 T CA -0.499 61.451 62.100 -0.251 0.000 1.059 1333 T CB 1.266 70.022 68.868 -0.187 0.000 0.991 1333 T HN 0.444 nan 8.240 nan 0.000 0.531 1334 Q N -0.505 119.163 119.800 -0.220 0.000 2.481 1334 Q HA -0.195 4.145 4.340 -0.000 0.000 0.272 1334 Q C 0.768 176.684 176.000 -0.141 0.000 1.157 1334 Q CA 0.509 56.222 55.803 -0.151 0.000 0.935 1334 Q CB -0.813 27.866 28.738 -0.098 0.000 1.338 1334 Q HN 0.609 nan 8.270 nan 0.000 0.494 1335 K N -0.621 119.663 120.400 -0.193 0.000 2.314 1335 K HA 0.054 4.374 4.320 -0.000 0.000 0.198 1335 K C 1.269 177.745 176.600 -0.208 0.000 1.045 1335 K CA 1.050 57.224 56.287 -0.188 0.000 0.988 1335 K CB 0.075 32.442 32.500 -0.221 0.000 0.783 1335 K HN 0.520 nan 8.250 nan 0.000 0.484 1336 G N 2.243 110.886 108.800 -0.261 0.000 2.356 1336 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.296 1336 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.296 1336 G C 0.061 174.771 174.900 -0.316 0.000 1.022 1336 G CA 1.297 46.271 45.100 -0.210 0.000 0.961 1336 G HN 0.419 nan 8.290 nan 0.000 0.510 1337 T N -1.810 112.281 114.554 -0.772 0.000 2.718 1337 T HA 0.512 4.862 4.350 -0.000 0.000 0.306 1337 T C -0.669 173.485 174.700 -0.909 0.000 1.485 1337 T CA -0.297 61.437 62.100 -0.610 0.000 0.997 1337 T CB 1.014 69.754 68.868 -0.212 0.000 1.504 1337 T HN 1.061 nan 8.240 nan 0.000 0.497 1338 L N 2.994 123.794 121.223 -0.704 0.000 2.453 1338 L HA 0.412 4.752 4.340 -0.000 0.000 0.272 1338 L C 0.941 177.540 176.870 -0.452 0.000 1.182 1338 L CA 0.656 55.154 54.840 -0.571 0.000 0.858 1338 L CB 0.835 42.383 42.059 -0.852 0.000 1.120 1338 L HN 0.593 nan 8.230 nan 0.000 0.474 1339 V N 4.649 124.329 119.914 -0.390 0.000 2.690 1339 V HA 0.140 4.259 4.120 -0.000 0.000 0.240 1339 V C -0.335 175.645 176.094 -0.190 0.000 1.078 1339 V CA 0.777 62.887 62.300 -0.316 0.000 1.102 1339 V CB -0.350 31.264 31.823 -0.349 0.000 0.800 1339 V HN 0.854 nan 8.190 nan 0.000 0.479 1340 Y N -0.307 119.838 120.300 -0.259 0.000 2.689 1340 Y HA 0.749 5.299 4.550 -0.000 0.000 0.333 1340 Y C -1.010 174.770 175.900 -0.200 0.000 1.208 1340 Y CA -1.903 56.058 58.100 -0.231 0.000 1.055 1340 Y CB 1.055 39.362 38.460 -0.254 0.000 1.304 1340 Y HN 0.256 nan 8.280 nan 0.000 0.455 1341 Q N -0.376 119.520 119.800 0.160 0.000 2.472 1341 Q HA 0.551 4.891 4.340 -0.000 0.000 0.281 1341 Q C -1.213 174.879 176.000 0.154 0.000 0.997 1341 Q CA -0.943 54.921 55.803 0.102 0.000 0.828 1341 Q CB 2.199 30.709 28.738 -0.379 0.000 1.443 1341 Q HN 0.935 nan 8.270 nan 0.000 0.390 1342 T N -0.195 114.394 114.554 0.058 0.000 2.748 1342 T HA 0.599 4.948 4.350 -0.000 0.000 0.304 1342 T C 0.532 175.218 174.700 -0.024 0.000 1.041 1342 T CA -0.323 61.685 62.100 -0.154 0.000 1.033 1342 T CB 0.190 68.865 68.868 -0.322 0.000 0.995 1342 T HN 0.680 nan 8.240 nan 0.000 0.536 1343 I N -2.896 117.642 120.570 -0.053 0.000 2.994 1343 I HA 0.474 4.644 4.170 -0.000 0.000 0.306 1343 I C -2.635 173.494 176.117 0.021 0.000 1.195 1343 I CA -3.397 57.916 61.300 0.022 0.000 1.001 1343 I CB 2.012 40.013 38.000 0.002 0.000 1.244 1343 I HN 0.267 nan 8.210 nan 0.000 0.437 1344 P HA -0.210 nan 4.420 nan 0.000 0.216 1344 P C 1.334 178.648 177.300 0.024 0.000 1.153 1344 P CA 1.728 64.855 63.100 0.044 0.000 0.858 1344 P CB -0.004 31.750 31.700 0.091 0.000 0.789 1345 Q N -1.246 118.589 119.800 0.058 0.000 2.291 1345 Q HA -0.148 4.191 4.340 -0.000 0.000 0.206 1345 Q C 1.262 177.345 176.000 0.138 0.000 0.976 1345 Q CA 1.306 57.171 55.803 0.103 0.000 0.875 1345 Q CB -0.742 28.069 28.738 0.121 0.000 0.927 1345 Q HN 0.233 nan 8.270 nan 0.000 0.450 1346 N N 0.385 119.118 118.700 0.055 0.000 2.349 1346 N HA 0.080 4.820 4.740 -0.000 0.000 0.180 1346 N C -0.332 175.091 175.510 -0.145 0.000 1.024 1346 N CA 0.751 53.801 53.050 0.001 0.000 0.869 1346 N CB 0.816 39.134 38.487 -0.281 0.000 1.022 1346 N HN 0.032 nan 8.380 nan 0.000 0.433 1347 V N 1.225 120.987 119.914 -0.255 0.000 2.462 1347 V HA 0.260 4.380 4.120 -0.000 0.000 0.288 1347 V C -0.343 175.444 176.094 -0.512 0.000 1.020 1347 V CA -1.068 60.975 62.300 -0.428 0.000 0.857 1347 V CB 2.095 33.554 31.823 -0.607 0.000 1.013 1347 V HN -0.004 nan 8.190 nan 0.000 0.431 1348 K N 4.118 124.290 120.400 -0.380 0.000 2.248 1348 K HA 0.578 4.898 4.320 -0.000 0.000 0.281 1348 K C -1.318 175.023 176.600 -0.431 0.000 1.054 1348 K CA -0.454 55.669 56.287 -0.273 0.000 0.903 1348 K CB 0.622 33.096 32.500 -0.044 0.000 1.077 1348 K HN 0.445 nan 8.250 nan 0.000 0.474 1349 F N 3.917 123.815 119.950 -0.086 0.000 2.371 1349 F HA 0.191 4.718 4.527 -0.000 0.000 0.363 1349 F C 0.517 176.377 175.800 0.099 0.000 1.122 1349 F CA -0.759 57.138 58.000 -0.171 0.000 1.129 1349 F CB 0.886 39.769 39.000 -0.195 0.000 1.173 1349 F HN 0.375 nan 8.300 nan 0.000 0.489 1350 E N 1.940 122.379 120.200 0.397 0.000 2.414 1350 E HA 0.182 4.532 4.350 -0.000 0.000 0.263 1350 E C 0.136 176.898 176.600 0.270 0.000 1.000 1350 E CA -0.200 56.374 56.400 0.289 0.000 0.914 1350 E CB 0.797 30.650 29.700 0.254 0.000 0.948 1350 E HN 0.641 nan 8.360 nan 0.000 0.444 1351 A N 2.016 124.938 122.820 0.169 0.000 2.566 1351 A HA 0.306 4.626 4.320 -0.000 0.000 0.245 1351 A C 1.470 179.120 177.584 0.109 0.000 1.056 1351 A CA 0.859 52.969 52.037 0.122 0.000 0.757 1351 A CB -0.557 18.488 19.000 0.076 0.000 0.979 1351 A HN 0.825 nan 8.150 nan 0.000 0.508 1352 G N 1.265 110.125 108.800 0.100 0.000 2.245 1352 G HA2 0.051 4.011 3.960 -0.000 0.000 0.264 1352 G HA3 0.051 4.011 3.960 -0.000 0.000 0.264 1352 G C 0.746 175.687 174.900 0.068 0.000 0.985 1352 G CA 0.826 45.972 45.100 0.077 0.000 0.625 1352 G HN 2.268 nan 8.290 nan 0.000 0.536 1353 A N -0.094 122.784 122.820 0.096 0.000 2.366 1353 A HA 0.655 4.975 4.320 -0.000 0.000 0.249 1353 A C 0.438 177.954 177.584 -0.112 0.000 1.084 1353 A CA 0.955 52.975 52.037 -0.027 0.000 0.794 1353 A CB 0.549 19.534 19.000 -0.026 0.000 1.034 1353 A HN 0.632 nan 8.150 nan 0.000 0.491 1354 K N 0.447 120.628 120.400 -0.365 0.000 2.324 1354 K HA 0.609 4.929 4.320 -0.000 0.000 0.253 1354 K C -2.063 174.225 176.600 -0.521 0.000 0.932 1354 K CA -0.381 55.751 56.287 -0.259 0.000 0.799 1354 K CB 1.087 33.514 32.500 -0.121 0.000 1.154 1354 K HN 0.676 nan 8.250 nan 0.000 0.425 1355 Y N 1.371 121.661 120.300 -0.018 0.000 2.457 1355 Y HA 0.294 4.844 4.550 -0.000 0.000 0.343 1355 Y C -0.463 175.358 175.900 -0.132 0.000 0.994 1355 Y CA -0.919 57.170 58.100 -0.019 0.000 1.031 1355 Y CB 1.988 40.505 38.460 0.095 0.000 1.246 1355 Y HN 0.357 nan 8.280 nan 0.000 0.449 1356 K N 2.753 123.155 120.400 0.004 0.000 2.211 1356 K HA 0.682 5.002 4.320 -0.000 0.000 0.275 1356 K C -1.571 174.890 176.600 -0.231 0.000 1.024 1356 K CA -0.454 55.748 56.287 -0.141 0.000 0.887 1356 K CB 0.874 33.318 32.500 -0.094 0.000 1.084 1356 K HN 0.556 nan 8.250 nan 0.000 0.463 1357 V N 3.635 123.210 119.914 -0.565 0.000 2.417 1357 V HA 0.389 4.508 4.120 -0.000 0.000 0.291 1357 V C -0.516 175.272 176.094 -0.510 0.000 1.024 1357 V CA -0.614 61.282 62.300 -0.673 0.000 0.861 1357 V CB 1.403 32.360 31.823 -1.443 0.000 0.985 1357 V HN 0.968 nan 8.190 nan 0.000 0.436 1358 S N 4.283 119.881 115.700 -0.171 0.000 2.588 1358 S HA 0.975 5.444 4.470 -0.000 0.000 0.275 1358 S C -1.028 173.679 174.600 0.179 0.000 1.130 1358 S CA -0.753 57.389 58.200 -0.098 0.000 0.855 1358 S CB 2.457 65.611 63.200 -0.077 0.000 1.116 1358 S HN 0.971 nan 8.310 nan 0.000 0.472 1359 F N -1.576 118.494 119.950 0.199 0.000 2.693 1359 F HA 0.706 5.233 4.527 -0.000 0.000 0.309 1359 F C -1.538 174.421 175.800 0.265 0.000 1.129 1359 F CA -1.096 57.062 58.000 0.263 0.000 0.948 1359 F CB 0.259 39.490 39.000 0.385 0.000 1.315 1359 F HN 0.386 nan 8.300 nan 0.000 0.447 1360 D N 1.208 121.884 120.400 0.460 0.000 2.264 1360 D HA 0.408 5.048 4.640 -0.000 0.000 0.249 1360 D C -0.920 175.668 176.300 0.481 0.000 1.070 1360 D CA 0.397 54.589 54.000 0.320 0.000 0.912 1360 D CB 1.400 42.299 40.800 0.165 0.000 1.193 1360 D HN 0.724 nan 8.370 nan 0.000 0.427 1361 Y N -1.884 118.515 120.300 0.165 0.000 2.597 1361 Y HA 0.527 5.076 4.550 -0.000 0.000 0.340 1361 Y C -1.346 174.479 175.900 -0.125 0.000 1.097 1361 Y CA -1.047 57.038 58.100 -0.026 0.000 1.037 1361 Y CB 1.253 39.756 38.460 0.073 0.000 1.305 1361 Y HN 0.156 nan 8.280 nan 0.000 0.463 1362 Q N 1.631 121.268 119.800 -0.270 0.000 2.365 1362 Q HA 0.656 4.996 4.340 -0.000 0.000 0.269 1362 Q C -1.521 174.447 176.000 -0.054 0.000 1.061 1362 Q CA -1.213 54.453 55.803 -0.228 0.000 0.816 1362 Q CB 2.523 31.148 28.738 -0.189 0.000 1.325 1362 Q HN 0.765 nan 8.270 nan 0.000 0.446 1363 S N -0.206 115.603 115.700 0.182 0.000 2.548 1363 S HA 0.519 4.989 4.470 -0.000 0.000 0.276 1363 S C 0.416 175.185 174.600 0.281 0.000 1.129 1363 S CA -0.208 58.229 58.200 0.396 0.000 0.931 1363 S CB 1.339 64.984 63.200 0.741 0.000 1.068 1363 S HN 0.805 nan 8.310 nan 0.000 0.480 1364 G N 1.947 110.915 108.800 0.280 0.000 2.484 1364 G HA2 0.255 4.215 3.960 -0.000 0.000 0.218 1364 G HA3 0.255 4.215 3.960 -0.000 0.000 0.218 1364 G C 0.180 175.216 174.900 0.228 0.000 1.130 1364 G CA 0.276 45.496 45.100 0.199 0.000 0.784 1364 G HN 0.696 nan 8.290 nan 0.000 0.543 1365 S N -0.731 115.108 115.700 0.231 0.000 2.596 1365 S HA 0.351 4.821 4.470 -0.000 0.000 0.270 1365 S C -1.841 172.855 174.600 0.160 0.000 1.155 1365 S CA -0.812 57.491 58.200 0.171 0.000 0.827 1365 S CB 1.914 65.188 63.200 0.124 0.000 1.130 1365 S HN 0.090 nan 8.310 nan 0.000 0.467 1366 D N 2.380 122.848 120.400 0.114 0.000 2.458 1366 D HA 0.190 4.830 4.640 -0.000 0.000 0.243 1366 D C -0.051 176.287 176.300 0.063 0.000 1.146 1366 D CA 0.946 55.004 54.000 0.097 0.000 0.877 1366 D CB 0.191 41.032 40.800 0.068 0.000 1.176 1366 D HN 0.530 nan 8.370 nan 0.000 0.461 1367 D N 0.808 121.246 120.400 0.064 0.000 3.059 1367 D HA -0.224 4.415 4.640 -0.000 0.000 0.220 1367 D C 1.475 177.755 176.300 -0.033 0.000 1.169 1367 D CA 0.687 54.699 54.000 0.019 0.000 0.902 1367 D CB -1.428 39.376 40.800 0.008 0.000 1.116 1367 D HN 0.645 nan 8.370 nan 0.000 0.417 1368 I N -4.284 116.250 120.570 -0.061 0.000 2.584 1368 I HA 0.009 4.179 4.170 -0.000 0.000 0.255 1368 I C 0.505 176.304 176.117 -0.531 0.000 1.145 1368 I CA 0.642 61.778 61.300 -0.273 0.000 1.462 1368 I CB -0.039 37.782 38.000 -0.299 0.000 1.102 1368 I HN -0.138 nan 8.210 nan 0.000 0.433 1369 Y N 1.263 121.519 120.300 -0.073 0.000 2.524 1369 Y HA 0.804 5.354 4.550 -0.000 0.000 0.344 1369 Y C -0.008 175.775 175.900 -0.194 0.000 1.012 1369 Y CA -0.967 56.998 58.100 -0.225 0.000 1.068 1369 Y CB 1.813 39.958 38.460 -0.526 0.000 1.249 1369 Y HN 0.054 nan 8.280 nan 0.000 0.468 1370 A N 2.093 124.897 122.820 -0.027 0.000 2.498 1370 A HA 0.730 5.050 4.320 -0.000 0.000 0.298 1370 A C -1.195 176.324 177.584 -0.109 0.000 1.075 1370 A CA -0.846 51.153 52.037 -0.062 0.000 0.714 1370 A CB 0.894 19.867 19.000 -0.044 0.000 1.299 1370 A HN 0.744 nan 8.150 nan 0.000 0.407 1371 I N 1.526 122.024 120.570 -0.119 0.000 2.556 1371 I HA 0.346 4.515 4.170 -0.000 0.000 0.284 1371 I C 0.817 176.839 176.117 -0.158 0.000 1.114 1371 I CA 0.469 61.696 61.300 -0.121 0.000 1.418 1371 I CB 1.152 38.987 38.000 -0.274 0.000 1.394 1371 I HN 0.689 nan 8.210 nan 0.000 0.552 1372 A N 6.748 129.546 122.820 -0.037 0.000 2.330 1372 A HA 0.800 5.119 4.320 -0.000 0.000 0.327 1372 A C -0.734 176.797 177.584 -0.088 0.000 1.155 1372 A CA -0.490 51.522 52.037 -0.041 0.000 0.803 1372 A CB 1.311 20.412 19.000 0.168 0.000 1.208 1372 A HN 0.449 nan 8.150 nan 0.000 0.477 1373 V N 1.502 121.244 119.914 -0.287 0.000 2.588 1373 V HA 0.827 4.946 4.120 -0.000 0.000 0.304 1373 V C 0.552 176.218 176.094 -0.713 0.000 1.042 1373 V CA 0.246 62.278 62.300 -0.447 0.000 0.877 1373 V CB 1.678 33.347 31.823 -0.256 0.000 0.996 1373 V HN 1.381 nan 8.190 nan 0.000 0.425 1374 G N 3.378 111.367 108.800 -1.352 0.000 2.727 1374 G HA2 0.729 4.688 3.960 -0.000 0.000 0.289 1374 G HA3 0.729 4.688 3.960 -0.000 0.000 0.289 1374 G C -1.964 172.399 174.900 -0.895 0.000 1.418 1374 G CA -0.613 43.864 45.100 -1.038 0.000 0.818 1374 G HN 0.487 nan 8.290 nan 0.000 0.486 1375 Q N -0.612 119.031 119.800 -0.262 0.000 2.304 1375 Q HA 0.650 4.990 4.340 -0.000 0.000 0.270 1375 Q C 0.340 176.485 176.000 0.243 0.000 1.035 1375 Q CA 0.443 56.244 55.803 -0.004 0.000 0.781 1375 Q CB 1.832 30.537 28.738 -0.054 0.000 1.261 1375 Q HN 1.873 nan 8.270 nan 0.000 0.444 1376 G N 1.515 110.542 108.800 0.378 0.000 2.796 1376 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.226 1376 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.226 1376 G C -0.533 174.618 174.900 0.418 0.000 1.381 1376 G CA -0.341 44.952 45.100 0.322 0.000 0.867 1376 G HN 0.809 nan 8.290 nan 0.000 0.552 1377 E N -0.600 119.758 120.200 0.263 0.000 2.558 1377 E HA 0.227 4.577 4.350 -0.000 0.000 0.255 1377 E C 0.536 177.318 176.600 0.304 0.000 0.968 1377 E CA -0.290 56.260 56.400 0.250 0.000 0.939 1377 E CB 0.098 29.934 29.700 0.228 0.000 0.921 1377 E HN 0.865 nan 8.360 nan 0.000 0.477 1378 Y N 4.462 124.874 120.300 0.186 0.000 2.895 1378 Y HA -0.045 4.504 4.550 -0.000 0.000 0.334 1378 Y C -0.476 175.551 175.900 0.212 0.000 1.261 1378 Y CA 0.796 59.053 58.100 0.262 0.000 1.560 1378 Y CB 0.353 38.880 38.460 0.112 0.000 1.253 1378 Y HN 0.454 nan 8.280 nan 0.000 0.582 1379 S N 5.126 120.455 115.700 -0.618 0.000 2.547 1379 S HA 0.794 5.263 4.470 -0.000 0.000 0.281 1379 S C -0.654 173.480 174.600 -0.777 0.000 1.118 1379 S CA -0.698 57.124 58.200 -0.631 0.000 0.947 1379 S CB 1.253 64.341 63.200 -0.186 0.000 1.053 1379 S HN 1.222 nan 8.310 nan 0.000 0.482 1380 A N 1.836 124.317 122.820 -0.565 0.000 2.583 1380 A HA 0.458 4.778 4.320 -0.000 0.000 0.249 1380 A C 1.629 179.167 177.584 -0.077 0.000 1.035 1380 A CA 0.642 52.582 52.037 -0.162 0.000 0.777 1380 A CB -1.446 17.559 19.000 0.008 0.000 0.942 1380 A HN 2.638 nan 8.150 nan 0.000 0.516 1381 G N 1.343 110.142 108.800 -0.001 0.000 2.179 1381 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.260 1381 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.260 1381 G C 0.816 175.721 174.900 0.008 0.000 0.977 1381 G CA 0.759 45.861 45.100 0.004 0.000 0.641 1381 G HN 1.619 nan 8.290 nan 0.000 0.533 1382 S N -0.051 115.650 115.700 0.001 0.000 2.562 1382 S HA 0.556 5.026 4.470 -0.000 0.000 0.246 1382 S C 0.390 175.024 174.600 0.057 0.000 1.056 1382 S CA 0.405 58.639 58.200 0.057 0.000 1.042 1382 S CB -0.088 63.148 63.200 0.060 0.000 0.822 1382 S HN 1.461 nan 8.310 nan 0.000 0.465 1383 V N -0.557 119.384 119.914 0.046 0.000 2.864 1383 V HA 0.639 4.759 4.120 -0.000 0.000 0.314 1383 V C -0.401 175.651 176.094 -0.070 0.000 1.073 1383 V CA -1.291 61.012 62.300 0.005 0.000 0.956 1383 V CB 1.687 33.592 31.823 0.136 0.000 1.023 1383 V HN 0.188 nan 8.190 nan 0.000 0.435 1384 K N 3.027 123.353 120.400 -0.123 0.000 2.258 1384 K HA 0.616 4.936 4.320 -0.000 0.000 0.284 1384 K C -1.314 175.165 176.600 -0.202 0.000 1.051 1384 K CA -0.533 55.669 56.287 -0.141 0.000 0.923 1384 K CB 0.841 33.262 32.500 -0.132 0.000 1.046 1384 K HN 0.803 nan 8.250 nan 0.000 0.474 1385 L N 3.444 124.540 121.223 -0.211 0.000 2.329 1385 L HA 0.389 4.729 4.340 -0.000 0.000 0.279 1385 L C -0.511 176.242 176.870 -0.196 0.000 1.014 1385 L CA -0.778 53.909 54.840 -0.255 0.000 0.814 1385 L CB 2.225 44.082 42.059 -0.336 0.000 1.257 1385 L HN 0.649 nan 8.230 nan 0.000 0.424 1386 T N 1.496 115.932 114.554 -0.197 0.000 2.864 1386 T HA 0.290 4.639 4.350 -0.000 0.000 0.299 1386 T C -0.186 174.447 174.700 -0.110 0.000 1.011 1386 T CA -0.754 61.256 62.100 -0.150 0.000 0.975 1386 T CB 0.676 69.434 68.868 -0.183 0.000 0.962 1386 T HN 0.362 nan 8.240 nan 0.000 0.448 1387 N N 2.860 121.517 118.700 -0.071 0.000 2.412 1387 N HA 0.148 4.888 4.740 -0.000 0.000 0.254 1387 N C -0.381 175.118 175.510 -0.018 0.000 1.232 1387 N CA 0.112 53.141 53.050 -0.035 0.000 0.880 1387 N CB 0.529 39.008 38.487 -0.014 0.000 1.076 1387 N HN 0.529 nan 8.380 nan 0.000 0.458 1388 L N 2.451 123.673 121.223 -0.002 0.000 2.307 1388 L HA 0.314 4.654 4.340 -0.000 0.000 0.282 1388 L C 0.749 177.703 176.870 0.139 0.000 1.051 1388 L CA -0.881 53.972 54.840 0.021 0.000 0.804 1388 L CB 0.898 42.895 42.059 -0.103 0.000 1.197 1388 L HN 0.171 nan 8.230 nan 0.000 0.431 1389 K N 2.239 122.765 120.400 0.211 0.000 2.126 1389 K HA 0.190 4.510 4.320 -0.000 0.000 0.257 1389 K C -0.254 176.541 176.600 0.324 0.000 1.007 1389 K CA -0.591 55.829 56.287 0.222 0.000 0.928 1389 K CB 0.794 33.398 32.500 0.174 0.000 1.013 1389 K HN 0.400 nan 8.250 nan 0.000 0.473 1390 K N 0.698 121.234 120.400 0.228 0.000 2.524 1390 K HA 0.057 4.377 4.320 -0.000 0.000 0.279 1390 K C -0.808 175.891 176.600 0.166 0.000 0.993 1390 K CA 0.315 56.731 56.287 0.215 0.000 1.030 1390 K CB 0.236 32.823 32.500 0.145 0.000 0.891 1390 K HN 0.626 nan 8.250 nan 0.000 0.488 1391 A N 5.617 128.510 122.820 0.121 0.000 2.745 1391 A HA 0.301 4.620 4.320 -0.000 0.000 0.301 1391 A C -1.610 175.943 177.584 -0.052 0.000 1.188 1391 A CA -0.717 51.286 52.037 -0.058 0.000 0.746 1391 A CB 0.624 19.408 19.000 -0.359 0.000 1.207 1391 A HN 0.577 nan 8.150 nan 0.000 0.432 1392 L N 2.435 123.644 121.223 -0.023 0.000 2.313 1392 L HA 0.677 5.016 4.340 -0.000 0.000 0.273 1392 L C 0.982 177.817 176.870 -0.058 0.000 1.028 1392 L CA 1.251 56.074 54.840 -0.029 0.000 0.871 1392 L CB 0.788 42.857 42.059 0.017 0.000 1.242 1392 L HN 1.478 nan 8.230 nan 0.000 0.434 1393 G N 3.118 111.866 108.800 -0.086 0.000 2.199 1393 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.254 1393 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.254 1393 G C 0.135 174.986 174.900 -0.081 0.000 0.982 1393 G CA 0.351 45.400 45.100 -0.085 0.000 0.632 1393 G HN 0.645 nan 8.290 nan 0.000 0.529 1394 E N 0.719 120.865 120.200 -0.090 0.000 2.246 1394 E HA 0.620 4.969 4.350 -0.000 0.000 0.266 1394 E C -0.064 176.449 176.600 -0.144 0.000 0.880 1394 E CA -0.285 56.057 56.400 -0.095 0.000 0.762 1394 E CB 1.098 30.756 29.700 -0.072 0.000 1.180 1394 E HN 0.088 nan 8.360 nan 0.000 0.416 1395 T N 2.895 117.361 114.554 -0.147 0.000 2.834 1395 T HA 0.514 4.863 4.350 -0.000 0.000 0.298 1395 T C 0.313 174.860 174.700 -0.255 0.000 0.966 1395 T CA 0.228 62.205 62.100 -0.205 0.000 1.141 1395 T CB 0.823 69.615 68.868 -0.127 0.000 0.905 1395 T HN 0.516 nan 8.240 nan 0.000 0.535 1396 G N 2.393 110.897 108.800 -0.492 0.000 2.521 1396 G HA2 0.636 4.595 3.960 -0.000 0.000 0.323 1396 G HA3 0.636 4.595 3.960 -0.000 0.000 0.323 1396 G C -0.790 173.950 174.900 -0.268 0.000 1.211 1396 G CA -0.745 44.072 45.100 -0.471 0.000 0.979 1396 G HN 0.491 nan 8.290 nan 0.000 0.490 1397 K N -0.425 119.968 120.400 -0.012 0.000 2.371 1397 K HA 0.674 4.994 4.320 -0.000 0.000 0.251 1397 K C -0.879 175.798 176.600 0.128 0.000 0.934 1397 K CA -0.623 55.707 56.287 0.071 0.000 0.798 1397 K CB 2.485 34.995 32.500 0.016 0.000 1.204 1397 K HN 0.625 nan 8.250 nan 0.000 0.427 1398 A N 2.215 124.980 122.820 -0.092 0.000 2.414 1398 A HA 0.645 4.965 4.320 -0.000 0.000 0.306 1398 A C -1.092 176.312 177.584 -0.301 0.000 1.054 1398 A CA -0.642 51.234 52.037 -0.268 0.000 0.724 1398 A CB 1.235 19.838 19.000 -0.663 0.000 1.267 1398 A HN 0.827 nan 8.150 nan 0.000 0.418 1399 E N 0.403 120.544 120.200 -0.098 0.000 2.392 1399 E HA 0.797 5.147 4.350 -0.000 0.000 0.279 1399 E C -1.119 175.543 176.600 0.102 0.000 0.964 1399 E CA -0.765 55.588 56.400 -0.078 0.000 0.777 1399 E CB 1.757 31.399 29.700 -0.097 0.000 1.249 1399 E HN 1.178 nan 8.360 nan 0.000 0.449 1400 F N -1.357 118.521 119.950 -0.120 0.000 2.817 1400 F HA 0.620 5.147 4.527 -0.000 0.000 0.317 1400 F C -1.408 174.337 175.800 -0.091 0.000 1.168 1400 F CA -1.108 56.834 58.000 -0.097 0.000 0.911 1400 F CB 1.348 40.288 39.000 -0.100 0.000 1.337 1400 F HN 0.399 nan 8.300 nan 0.000 0.464 1401 E N 1.253 121.489 120.200 0.061 0.000 2.227 1401 E HA 0.683 5.033 4.350 -0.000 0.000 0.268 1401 E C -1.680 174.962 176.600 0.070 0.000 0.907 1401 E CA -1.193 55.186 56.400 -0.035 0.000 0.786 1401 E CB 2.920 32.619 29.700 -0.001 0.000 1.191 1401 E HN 0.646 nan 8.360 nan 0.000 0.411 1402 L N -1.212 120.002 121.223 -0.015 0.000 2.393 1402 L HA 0.666 5.006 4.340 -0.000 0.000 0.260 1402 L C -0.813 176.067 176.870 0.017 0.000 1.002 1402 L CA -0.411 54.422 54.840 -0.012 0.000 0.818 1402 L CB 2.038 44.031 42.059 -0.109 0.000 1.369 1402 L HN 0.275 nan 8.230 nan 0.000 0.412 1403 T N 1.561 116.124 114.554 0.014 0.000 2.779 1403 T HA 0.669 5.019 4.350 -0.000 0.000 0.280 1403 T C 0.347 175.086 174.700 0.065 0.000 0.987 1403 T CA -0.087 62.051 62.100 0.063 0.000 0.966 1403 T CB 1.293 70.185 68.868 0.039 0.000 0.933 1403 T HN 1.091 nan 8.240 nan 0.000 0.442 1404 G N 2.171 111.082 108.800 0.184 0.000 2.265 1404 G HA2 0.408 4.368 3.960 -0.000 0.000 0.240 1404 G HA3 0.408 4.368 3.960 -0.000 0.000 0.240 1404 G C 0.686 175.645 174.900 0.097 0.000 1.270 1404 G CA -0.426 44.789 45.100 0.191 0.000 0.901 1404 G HN 0.897 nan 8.290 nan 0.000 0.507 1405 G N -0.026 108.811 108.800 0.062 0.000 2.594 1405 G HA2 0.382 4.341 3.960 -0.000 0.000 0.243 1405 G HA3 0.382 4.341 3.960 -0.000 0.000 0.243 1405 G C 1.349 176.272 174.900 0.039 0.000 1.229 1405 G CA 0.110 45.221 45.100 0.018 0.000 0.843 1405 G HN 1.336 nan 8.290 nan 0.000 0.578 1406 V N -0.838 119.080 119.914 0.005 0.000 2.720 1406 V HA -0.114 4.006 4.120 -0.000 0.000 0.256 1406 V C 1.437 177.543 176.094 0.020 0.000 1.082 1406 V CA 1.632 63.937 62.300 0.009 0.000 1.101 1406 V CB -0.413 31.397 31.823 -0.021 0.000 0.693 1406 V HN 0.559 nan 8.190 nan 0.000 0.479 1407 N N 1.010 119.724 118.700 0.024 0.000 2.268 1407 N HA 0.224 4.964 4.740 -0.000 0.000 0.204 1407 N C 1.562 177.109 175.510 0.062 0.000 1.124 1407 N CA 0.865 53.936 53.050 0.034 0.000 0.838 1407 N CB 0.746 39.248 38.487 0.025 0.000 0.994 1407 N HN 0.773 nan 8.380 nan 0.000 0.489 1408 G N 2.277 111.128 108.800 0.084 0.000 2.166 1408 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 1408 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 1408 G C 0.113 175.100 174.900 0.144 0.000 0.986 1408 G CA 0.768 45.937 45.100 0.115 0.000 0.683 1408 G HN 0.532 nan 8.290 nan 0.000 0.527 1409 D N 0.029 120.519 120.400 0.151 0.000 2.559 1409 D HA 0.389 5.029 4.640 -0.000 0.000 0.234 1409 D C 0.773 177.246 176.300 0.289 0.000 1.226 1409 D CA 0.072 54.196 54.000 0.208 0.000 0.830 1409 D CB -0.050 40.856 40.800 0.178 0.000 1.028 1409 D HN 0.170 nan 8.370 nan 0.000 0.492 1410 S N 0.978 116.832 115.700 0.257 0.000 2.584 1410 S HA 0.520 4.989 4.470 -0.000 0.000 0.270 1410 S C -0.083 174.797 174.600 0.467 0.000 1.346 1410 S CA -0.513 57.806 58.200 0.199 0.000 1.018 1410 S CB 0.518 63.768 63.200 0.083 0.000 0.899 1410 S HN 0.519 nan 8.310 nan 0.000 0.542 1411 W N 1.216 122.687 121.300 0.285 0.000 3.153 1411 W HA 0.571 5.231 4.660 -0.000 0.000 0.316 1411 W C -2.252 174.471 176.519 0.340 0.000 1.255 1411 W CA -1.416 56.133 57.345 0.340 0.000 1.192 1411 W CB 0.341 29.919 29.460 0.196 0.000 1.400 1411 W HN 0.626 nan 8.180 nan 0.000 0.568 1412 F N 0.928 121.261 119.950 0.640 0.000 2.620 1412 F HA 1.005 5.531 4.527 -0.000 0.000 0.320 1412 F C -0.141 176.121 175.800 0.770 0.000 1.069 1412 F CA -0.487 57.832 58.000 0.532 0.000 0.953 1412 F CB 1.781 41.080 39.000 0.499 0.000 1.322 1412 F HN 0.778 nan 8.300 nan 0.000 0.479 1413 G N 0.918 110.093 108.800 0.625 0.000 2.561 1413 G HA2 0.510 4.470 3.960 -0.000 0.000 0.310 1413 G HA3 0.510 4.470 3.960 -0.000 0.000 0.310 1413 G C -2.352 172.566 174.900 0.030 0.000 1.292 1413 G CA -0.939 44.329 45.100 0.280 0.000 0.811 1413 G HN 0.619 nan 8.290 nan 0.000 0.482 1414 I N 0.442 120.750 120.570 -0.437 0.000 2.474 1414 I HA 0.498 4.668 4.170 -0.000 0.000 0.294 1414 I C -1.268 174.599 176.117 -0.417 0.000 1.005 1414 I CA -0.812 60.113 61.300 -0.625 0.000 1.113 1414 I CB 1.538 38.756 38.000 -1.304 0.000 1.289 1414 I HN 0.632 nan 8.210 nan 0.000 0.436 1415 Y N 4.114 124.196 120.300 -0.364 0.000 2.462 1415 Y HA 0.448 4.998 4.550 -0.000 0.000 0.346 1415 Y C -0.199 175.612 175.900 -0.148 0.000 0.976 1415 Y CA -0.555 57.406 58.100 -0.232 0.000 1.044 1415 Y CB 1.963 40.334 38.460 -0.147 0.000 1.230 1415 Y HN 0.548 nan 8.280 nan 0.000 0.455 1416 S N 4.291 119.683 115.700 -0.513 0.000 2.438 1416 S HA 0.424 4.894 4.470 -0.000 0.000 0.293 1416 S C -0.019 174.286 174.600 -0.492 0.000 1.141 1416 S CA -0.163 57.781 58.200 -0.426 0.000 1.080 1416 S CB 0.046 63.025 63.200 -0.369 0.000 0.978 1416 S HN 0.887 nan 8.310 nan 0.000 0.479 1417 T N 2.276 116.706 114.554 -0.207 0.000 2.833 1417 T HA 0.589 4.939 4.350 -0.000 0.000 0.312 1417 T C 1.249 175.901 174.700 -0.080 0.000 1.085 1417 T CA -0.129 61.981 62.100 0.017 0.000 0.955 1417 T CB 0.311 69.209 68.868 0.050 0.000 1.353 1417 T HN 0.692 nan 8.240 nan 0.000 0.544 1418 A N -0.242 122.569 122.820 -0.014 0.000 2.275 1418 A HA 0.343 4.663 4.320 -0.000 0.000 0.212 1418 A C 1.166 178.719 177.584 -0.052 0.000 1.201 1418 A CA -0.262 51.753 52.037 -0.037 0.000 0.843 1418 A CB -0.760 18.239 19.000 -0.003 0.000 0.873 1418 A HN 0.790 nan 8.150 nan 0.000 0.492 1419 T N 1.935 116.452 114.554 -0.062 0.000 2.870 1419 T HA 0.462 4.811 4.350 -0.000 0.000 0.300 1419 T C 0.495 175.149 174.700 -0.077 0.000 0.989 1419 T CA 0.325 62.391 62.100 -0.058 0.000 1.139 1419 T CB 1.085 69.924 68.868 -0.048 0.000 0.920 1419 T HN 0.468 nan 8.240 nan 0.000 0.537 1420 A N 5.892 128.679 122.820 -0.053 0.000 2.388 1420 A HA 0.536 4.855 4.320 -0.000 0.000 0.257 1420 A C -1.794 175.764 177.584 -0.043 0.000 1.095 1420 A CA -1.376 50.631 52.037 -0.051 0.000 0.791 1420 A CB -0.214 18.764 19.000 -0.036 0.000 1.029 1420 A HN 0.583 nan 8.150 nan 0.000 0.489 1421 P HA 0.147 nan 4.420 nan 0.000 0.274 1421 P C -1.015 176.278 177.300 -0.012 0.000 1.237 1421 P CA -0.184 62.915 63.100 -0.002 0.000 0.793 1421 P CB 0.652 32.371 31.700 0.033 0.000 0.977 1422 D N 1.231 121.631 120.400 0.000 0.000 2.359 1422 D HA 0.141 4.781 4.640 -0.000 0.000 0.230 1422 D C 0.771 176.967 176.300 -0.173 0.000 1.118 1422 D CA -0.317 53.649 54.000 -0.055 0.000 0.844 1422 D CB 0.062 40.849 40.800 -0.022 0.000 1.059 1422 D HN 0.182 nan 8.370 nan 0.000 0.493 1423 L N 2.902 123.957 121.223 -0.281 0.000 2.591 1423 L HA 0.075 4.415 4.340 -0.000 0.000 0.228 1423 L C 0.912 177.290 176.870 -0.820 0.000 1.133 1423 L CA 0.002 54.476 54.840 -0.609 0.000 0.880 1423 L CB -0.498 41.376 42.059 -0.309 0.000 1.033 1423 L HN 0.517 nan 8.230 nan 0.000 0.450 1424 Q N 0.030 119.549 119.800 -0.469 0.000 2.434 1424 Q HA -0.275 4.065 4.340 -0.000 0.000 0.299 1424 Q C 1.175 177.046 176.000 -0.216 0.000 1.286 1424 Q CA 0.380 56.007 55.803 -0.295 0.000 0.872 1424 Q CB -2.004 26.588 28.738 -0.244 0.000 1.193 1424 Q HN 0.719 nan 8.270 nan 0.000 0.466 1425 G N -0.489 108.200 108.800 -0.185 0.000 2.166 1425 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.260 1425 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.260 1425 G C 0.234 175.077 174.900 -0.095 0.000 0.986 1425 G CA 0.521 45.555 45.100 -0.110 0.000 0.683 1425 G HN 1.058 nan 8.290 nan 0.000 0.527 1426 S N -0.122 115.488 115.700 -0.150 0.000 2.576 1426 S HA 0.689 5.159 4.470 -0.000 0.000 0.276 1426 S C 0.325 174.904 174.600 -0.034 0.000 1.339 1426 S CA 0.742 58.909 58.200 -0.055 0.000 1.039 1426 S CB 1.857 65.061 63.200 0.006 0.000 0.902 1426 S HN 1.651 nan 8.310 nan 0.000 0.516 1427 T N -1.254 113.302 114.554 0.002 0.000 2.901 1427 T HA 0.803 5.153 4.350 -0.000 0.000 0.293 1427 T C 0.747 175.447 174.700 0.001 0.000 1.084 1427 T CA -0.180 61.920 62.100 0.001 0.000 1.008 1427 T CB 0.885 69.755 68.868 0.004 0.000 1.170 1427 T HN 2.041 nan 8.240 nan 0.000 0.509 1428 G N 2.072 110.870 108.800 -0.003 0.000 2.547 1428 G HA2 -0.329 3.630 3.960 -0.000 0.000 0.271 1428 G HA3 -0.329 3.630 3.960 -0.000 0.000 0.271 1428 G C 0.815 175.672 174.900 -0.071 0.000 1.209 1428 G CA 0.405 45.492 45.100 -0.022 0.000 0.959 1428 G HN 0.863 nan 8.290 nan 0.000 0.563 1429 N N 1.138 119.718 118.700 -0.201 0.000 2.309 1429 N HA -0.047 4.692 4.740 -0.000 0.000 0.182 1429 N C 2.625 177.994 175.510 -0.235 0.000 1.018 1429 N CA 1.783 54.622 53.050 -0.352 0.000 0.876 1429 N CB -0.469 37.463 38.487 -0.924 0.000 0.972 1429 N HN 0.898 nan 8.380 nan 0.000 0.434 1430 A N 1.765 124.491 122.820 -0.156 0.000 1.958 1430 A HA -0.237 4.083 4.320 -0.000 0.000 0.221 1430 A C 2.150 179.846 177.584 0.187 0.000 1.178 1430 A CA 1.393 53.471 52.037 0.069 0.000 0.642 1430 A CB -0.623 18.437 19.000 0.100 0.000 0.816 1430 A HN 0.379 nan 8.150 nan 0.000 0.453 1431 Q N -0.834 119.045 119.800 0.132 0.000 2.181 1431 Q HA -0.186 4.154 4.340 -0.000 0.000 0.205 1431 Q C 1.172 177.299 176.000 0.211 0.000 0.980 1431 Q CA 1.498 57.416 55.803 0.192 0.000 0.862 1431 Q CB -0.156 28.628 28.738 0.077 0.000 0.905 1431 Q HN 0.680 nan 8.270 nan 0.000 0.429 1432 D N -0.578 119.895 120.400 0.121 0.000 2.259 1432 D HA -0.050 4.590 4.640 -0.000 0.000 0.216 1432 D C 1.446 177.851 176.300 0.175 0.000 0.961 1432 D CA 0.433 54.495 54.000 0.103 0.000 0.878 1432 D CB -0.089 40.730 40.800 0.031 0.000 1.009 1432 D HN 0.088 nan 8.370 nan 0.000 0.490 1433 F N 2.271 122.218 119.950 -0.005 0.000 2.325 1433 F HA 0.119 4.646 4.527 -0.000 0.000 0.299 1433 F C 2.156 177.942 175.800 -0.023 0.000 1.090 1433 F CA 0.732 58.754 58.000 0.037 0.000 1.392 1433 F CB -0.536 38.532 39.000 0.114 0.000 1.053 1433 F HN -0.096 nan 8.300 nan 0.000 0.521 1434 G N -0.452 108.315 108.800 -0.054 0.000 2.422 1434 G HA2 0.059 4.019 3.960 -0.000 0.000 0.218 1434 G HA3 0.059 4.019 3.960 -0.000 0.000 0.218 1434 G C 1.519 176.021 174.900 -0.663 0.000 1.146 1434 G CA 0.843 45.663 45.100 -0.466 0.000 0.769 1434 G HN 0.908 nan 8.290 nan 0.000 0.547 1435 G N -1.512 107.034 108.800 -0.423 0.000 2.163 1435 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.213 1435 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.213 1435 G C 0.878 175.664 174.900 -0.191 0.000 0.991 1435 G CA 0.579 45.529 45.100 -0.249 0.000 0.653 1435 G HN 0.418 nan 8.290 nan 0.000 0.518 1436 Y N 0.873 121.203 120.300 0.050 0.000 2.315 1436 Y HA 0.007 4.557 4.550 -0.000 0.000 0.288 1436 Y C 2.509 178.463 175.900 0.090 0.000 1.154 1436 Y CA 1.879 60.014 58.100 0.059 0.000 1.229 1436 Y CB -0.082 38.399 38.460 0.034 0.000 0.980 1436 Y HN 0.387 nan 8.280 nan 0.000 0.540 1437 K N -0.276 120.254 120.400 0.217 0.000 2.373 1437 K HA 0.101 4.421 4.320 -0.000 0.000 0.202 1437 K C -0.616 176.165 176.600 0.301 0.000 1.025 1437 K CA -0.012 56.397 56.287 0.202 0.000 1.115 1437 K CB 0.406 32.984 32.500 0.129 0.000 0.858 1437 K HN 0.140 nan 8.250 nan 0.000 0.525 1438 D N 0.179 120.731 120.400 0.253 0.000 2.326 1438 D HA 0.303 4.942 4.640 -0.000 0.000 0.251 1438 D C -1.142 175.277 176.300 0.197 0.000 1.023 1438 D CA -0.366 53.748 54.000 0.189 0.000 0.966 1438 D CB 1.166 42.002 40.800 0.059 0.000 1.156 1438 D HN -0.144 nan 8.370 nan 0.000 0.494 1439 F N 0.635 120.455 119.950 -0.217 0.000 2.585 1439 F HA 0.390 4.916 4.527 -0.000 0.000 0.319 1439 F C -1.479 174.208 175.800 -0.189 0.000 1.165 1439 F CA -0.586 57.227 58.000 -0.311 0.000 0.949 1439 F CB 1.317 39.771 39.000 -0.910 0.000 1.218 1439 F HN 0.012 nan 8.300 nan 0.000 0.453 1440 V N 7.166 126.706 119.914 -0.625 0.000 2.495 1440 V HA 0.553 4.673 4.120 -0.000 0.000 0.298 1440 V C -0.839 174.939 176.094 -0.527 0.000 1.031 1440 V CA -0.788 61.255 62.300 -0.429 0.000 0.871 1440 V CB 1.793 33.461 31.823 -0.258 0.000 0.988 1440 V HN 0.751 nan 8.190 nan 0.000 0.432 1441 L N 3.772 124.805 121.223 -0.316 0.000 2.381 1441 L HA 0.849 5.188 4.340 -0.000 0.000 0.268 1441 L C -1.255 175.593 176.870 -0.038 0.000 0.997 1441 L CA 0.014 54.772 54.840 -0.138 0.000 0.818 1441 L CB 2.096 44.088 42.059 -0.111 0.000 1.310 1441 L HN 0.699 nan 8.230 nan 0.000 0.416 1442 D N 1.716 122.234 120.400 0.196 0.000 2.643 1442 D HA 0.303 4.943 4.640 -0.000 0.000 0.283 1442 D C -0.987 175.576 176.300 0.438 0.000 1.242 1442 D CA -0.148 54.056 54.000 0.340 0.000 0.863 1442 D CB 1.607 42.531 40.800 0.206 0.000 1.382 1442 D HN 0.573 nan 8.370 nan 0.000 0.444 1443 N N 0.348 119.287 118.700 0.399 0.000 2.688 1443 N HA -0.218 4.522 4.740 -0.000 0.000 0.258 1443 N C -0.373 175.322 175.510 0.309 0.000 1.016 1443 N CA 0.258 53.468 53.050 0.267 0.000 0.747 1443 N CB -1.330 37.274 38.487 0.194 0.000 0.895 1443 N HN 0.362 nan 8.380 nan 0.000 0.543 1444 L N 0.172 121.603 121.223 0.346 0.000 2.416 1444 L HA 0.302 4.642 4.340 -0.000 0.000 0.272 1444 L C 0.554 177.536 176.870 0.188 0.000 1.161 1444 L CA 0.649 55.708 54.840 0.365 0.000 0.845 1444 L CB 0.509 42.783 42.059 0.359 0.000 1.119 1444 L HN 0.219 nan 8.230 nan 0.000 0.464 1445 K N 5.810 126.320 120.400 0.183 0.000 2.535 1445 K HA 0.550 4.870 4.320 -0.000 0.000 0.250 1445 K C -1.762 174.875 176.600 0.061 0.000 0.948 1445 K CA -0.506 55.832 56.287 0.086 0.000 0.796 1445 K CB 1.083 33.620 32.500 0.061 0.000 1.216 1445 K HN 0.681 nan 8.250 nan 0.000 0.432 1446 I N 4.527 125.130 120.570 0.055 0.000 2.447 1446 I HA 0.282 4.452 4.170 -0.000 0.000 0.287 1446 I C -0.721 175.456 176.117 0.100 0.000 1.023 1446 I CA -0.565 60.781 61.300 0.078 0.000 1.083 1446 I CB 1.890 39.963 38.000 0.121 0.000 1.245 1446 I HN 0.610 nan 8.210 nan 0.000 0.434 1447 E N 6.348 126.632 120.200 0.140 0.000 2.290 1447 E HA 0.422 4.771 4.350 -0.000 0.000 0.274 1447 E C -1.015 175.704 176.600 0.198 0.000 0.889 1447 E CA -1.099 55.387 56.400 0.143 0.000 0.760 1447 E CB 2.218 31.948 29.700 0.050 0.000 1.206 1447 E HN 0.447 nan 8.360 nan 0.000 0.419 1448 R N 3.046 123.657 120.500 0.185 0.000 2.570 1448 R HA 0.173 4.513 4.340 -0.000 0.000 0.277 1448 R C 0.157 176.395 176.300 -0.104 0.000 1.039 1448 R CA 0.212 56.250 56.100 -0.104 0.000 1.065 1448 R CB 0.221 30.451 30.300 -0.118 0.000 0.964 1448 R HN 0.674 nan 8.270 nan 0.000 0.428 1449 I N -0.178 120.288 120.570 -0.173 0.000 2.797 1449 I HA 0.422 4.591 4.170 -0.000 0.000 0.307 1449 I C -0.369 175.684 176.117 -0.106 0.000 1.033 1449 I CA -1.172 60.066 61.300 -0.103 0.000 1.071 1449 I CB 1.896 39.850 38.000 -0.076 0.000 1.255 1449 I HN 0.304 nan 8.210 nan 0.000 0.445 1450 E N 2.743 122.902 120.200 -0.068 0.000 2.376 1450 E HA 0.184 4.534 4.350 -0.000 0.000 0.266 1450 E C -0.656 175.912 176.600 -0.053 0.000 1.009 1450 E CA 0.085 56.452 56.400 -0.056 0.000 0.902 1450 E CB 1.297 30.974 29.700 -0.039 0.000 0.972 1450 E HN 0.610 nan 8.360 nan 0.000 0.439 1451 S N 2.095 117.766 115.700 -0.049 0.000 2.549 1451 S HA 0.121 4.591 4.470 -0.000 0.000 0.297 1451 S C -0.290 174.287 174.600 -0.038 0.000 1.115 1451 S CA -0.765 57.414 58.200 -0.035 0.000 1.059 1451 S CB 1.030 64.216 63.200 -0.023 0.000 1.046 1451 S HN 0.465 nan 8.310 nan 0.000 0.506 1452 Q N 2.591 122.366 119.800 -0.042 0.000 2.339 1452 Q HA 0.002 4.341 4.340 -0.000 0.000 0.308 1452 Q C -0.325 175.621 176.000 -0.090 0.000 1.097 1452 Q CA 0.736 56.499 55.803 -0.067 0.000 1.007 1452 Q CB -0.071 28.616 28.738 -0.085 0.000 1.051 1452 Q HN 0.624 nan 8.270 nan 0.000 0.381 1453 T N 6.193 120.707 114.554 -0.068 0.000 2.928 1453 T HA 0.211 4.561 4.350 -0.000 0.000 0.305 1453 T C -0.190 174.456 174.700 -0.090 0.000 1.035 1453 T CA -0.227 61.841 62.100 -0.053 0.000 1.145 1453 T CB 0.352 69.206 68.868 -0.023 0.000 0.963 1453 T HN 0.443 nan 8.240 nan 0.000 0.545 1454 R N 1.804 122.268 120.500 -0.061 0.000 2.740 1454 R HA 0.508 4.847 4.340 -0.000 0.000 0.282 1454 R C 0.364 176.686 176.300 0.038 0.000 0.969 1454 R CA -0.737 55.305 56.100 -0.096 0.000 0.918 1454 R CB 1.462 31.654 30.300 -0.181 0.000 1.175 1454 R HN 0.822 nan 8.270 nan 0.000 0.464 1455 T N -2.244 112.291 114.554 -0.031 0.000 2.874 1455 T HA 0.184 4.533 4.350 -0.000 0.000 0.281 1455 T C 1.289 175.815 174.700 -0.290 0.000 0.994 1455 T CA -0.768 61.279 62.100 -0.088 0.000 1.015 1455 T CB 1.637 70.434 68.868 -0.117 0.000 1.028 1455 T HN 0.567 nan 8.240 nan 0.000 0.523 1456 K N 0.532 120.394 120.400 -0.896 0.000 2.059 1456 K HA -0.210 4.110 4.320 -0.000 0.000 0.212 1456 K C 2.404 178.760 176.600 -0.406 0.000 1.050 1456 K CA 1.624 57.225 56.287 -1.143 0.000 0.927 1456 K CB -0.910 30.752 32.500 -1.396 0.000 0.714 1456 K HN 0.742 nan 8.250 nan 0.000 0.447 1457 A N 1.232 123.888 122.820 -0.275 0.000 1.883 1457 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 1457 A C 1.900 179.451 177.584 -0.054 0.000 1.186 1457 A CA 1.897 53.855 52.037 -0.131 0.000 0.624 1457 A CB -0.585 18.356 19.000 -0.098 0.000 0.822 1457 A HN 0.507 nan 8.150 nan 0.000 0.444 1458 E N -0.451 119.728 120.200 -0.035 0.000 2.085 1458 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 1458 E C 2.320 179.039 176.600 0.199 0.000 0.994 1458 E CA 1.019 57.459 56.400 0.066 0.000 0.801 1458 E CB -0.286 29.410 29.700 -0.006 0.000 0.743 1458 E HN 0.638 nan 8.360 nan 0.000 0.453 1459 A N 1.054 123.968 122.820 0.156 0.000 1.873 1459 A HA -0.256 4.064 4.320 -0.000 0.000 0.215 1459 A C 2.046 179.683 177.584 0.087 0.000 1.186 1459 A CA 1.441 53.597 52.037 0.198 0.000 0.616 1459 A CB -0.475 18.642 19.000 0.195 0.000 0.823 1459 A HN 0.175 nan 8.150 nan 0.000 0.442 1460 Q N -0.441 119.372 119.800 0.023 0.000 2.096 1460 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 1460 Q C 1.487 177.495 176.000 0.014 0.000 0.982 1460 Q CA 1.621 57.426 55.803 0.004 0.000 0.850 1460 Q CB -0.215 28.506 28.738 -0.028 0.000 0.901 1460 Q HN 0.601 nan 8.270 nan 0.000 0.422 1461 D N 0.186 120.602 120.400 0.027 0.000 2.144 1461 D HA -0.135 4.505 4.640 -0.000 0.000 0.200 1461 D C 1.692 178.009 176.300 0.028 0.000 0.978 1461 D CA 0.990 55.008 54.000 0.029 0.000 0.833 1461 D CB -0.064 40.760 40.800 0.040 0.000 0.961 1461 D HN -0.009 nan 8.370 nan 0.000 0.470 1462 K N 0.955 121.377 120.400 0.036 0.000 2.097 1462 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 1462 K C 1.855 178.433 176.600 -0.036 0.000 1.049 1462 K CA 0.664 56.926 56.287 -0.042 0.000 0.933 1462 K CB -0.500 31.882 32.500 -0.197 0.000 0.717 1462 K HN -0.040 nan 8.250 nan 0.000 0.442 1463 V N 1.478 121.383 119.914 -0.014 0.000 2.255 1463 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 1463 V C 2.177 178.275 176.094 0.007 0.000 1.051 1463 V CA 2.215 64.509 62.300 -0.010 0.000 1.018 1463 V CB -0.463 31.352 31.823 -0.012 0.000 0.641 1463 V HN 0.365 nan 8.190 nan 0.000 0.445 1464 K N -0.191 120.214 120.400 0.009 0.000 2.044 1464 K HA -0.279 4.041 4.320 -0.000 0.000 0.210 1464 K C 2.252 178.860 176.600 0.014 0.000 1.049 1464 K CA 1.969 58.264 56.287 0.014 0.000 0.927 1464 K CB -0.296 32.210 32.500 0.010 0.000 0.713 1464 K HN 0.578 nan 8.250 nan 0.000 0.443 1465 E N 0.753 120.956 120.200 0.005 0.000 2.077 1465 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 1465 E C 1.967 178.563 176.600 -0.007 0.000 0.989 1465 E CA 0.934 57.329 56.400 -0.008 0.000 0.800 1465 E CB 0.171 29.863 29.700 -0.013 0.000 0.746 1465 E HN 0.127 nan 8.360 nan 0.000 0.452 1466 I N 1.076 121.671 120.570 0.041 0.000 2.233 1466 I HA -0.192 3.977 4.170 -0.000 0.000 0.243 1466 I C 2.448 178.689 176.117 0.207 0.000 1.093 1466 I CA 1.214 62.602 61.300 0.148 0.000 1.380 1466 I CB -1.139 36.981 38.000 0.201 0.000 1.067 1466 I HN 0.128 nan 8.210 nan 0.000 0.413 1467 R N 0.471 121.071 120.500 0.167 0.000 2.152 1467 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 1467 R C 2.307 178.681 176.300 0.124 0.000 1.117 1467 R CA 1.246 57.469 56.100 0.205 0.000 0.981 1467 R CB -0.581 29.791 30.300 0.120 0.000 0.870 1467 R HN 0.450 nan 8.270 nan 0.000 0.451 1468 G N 1.061 109.883 108.800 0.037 0.000 2.421 1468 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 1468 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 1468 G C 1.254 176.100 174.900 -0.090 0.000 1.143 1468 G CA 0.318 45.411 45.100 -0.012 0.000 0.784 1468 G HN 0.231 nan 8.290 nan 0.000 0.541 1469 K N -0.900 119.371 120.400 -0.214 0.000 2.031 1469 K HA 0.024 4.344 4.320 -0.000 0.000 0.205 1469 K C 1.592 177.884 176.600 -0.513 0.000 1.049 1469 K CA 1.055 57.022 56.287 -0.533 0.000 0.939 1469 K CB -0.062 31.812 32.500 -1.043 0.000 0.717 1469 K HN 0.462 nan 8.250 nan 0.000 0.438 1470 Y N -0.333 119.983 120.300 0.026 0.000 2.453 1470 Y HA 0.130 4.679 4.550 -0.000 0.000 0.247 1470 Y C 1.102 177.021 175.900 0.032 0.000 1.124 1470 Y CA -0.377 57.676 58.100 -0.080 0.000 1.243 1470 Y CB 0.353 38.595 38.460 -0.364 0.000 1.213 1470 Y HN -0.045 nan 8.280 nan 0.000 0.523 1471 D N -0.032 120.542 120.400 0.290 0.000 2.178 1471 D HA -0.135 4.505 4.640 -0.000 0.000 0.202 1471 D C 2.134 178.600 176.300 0.277 0.000 0.974 1471 D CA 1.791 56.028 54.000 0.395 0.000 0.841 1471 D CB -0.104 40.880 40.800 0.307 0.000 0.953 1471 D HN 0.321 nan 8.370 nan 0.000 0.478 1472 S N -0.887 114.902 115.700 0.148 0.000 2.522 1472 S HA 0.036 4.506 4.470 -0.000 0.000 0.227 1472 S C 1.234 175.862 174.600 0.046 0.000 0.986 1472 S CA 0.061 58.305 58.200 0.073 0.000 0.929 1472 S CB 0.386 63.607 63.200 0.034 0.000 0.769 1472 S HN -0.087 nan 8.310 nan 0.000 0.529 1473 K N 0.968 121.419 120.400 0.085 0.000 2.916 1473 K HA 0.405 4.724 4.320 -0.000 0.000 0.320 1473 K C 1.104 177.671 176.600 -0.055 0.000 1.032 1473 K CA -0.043 56.274 56.287 0.050 0.000 1.074 1473 K CB 0.027 32.595 32.500 0.114 0.000 1.192 1473 K HN 0.139 nan 8.250 nan 0.000 0.468 1474 R N -3.136 117.295 120.500 -0.115 0.000 2.325 1474 R HA -0.092 4.248 4.340 -0.000 0.000 0.406 1474 R C -0.057 176.126 176.300 -0.195 0.000 0.299 1474 R CA 0.554 56.447 56.100 -0.345 0.000 1.411 1474 R CB -1.780 28.177 30.300 -0.572 0.000 1.906 1474 R HN 0.580 nan 8.270 nan 0.000 0.236 1483 Q N 1.544 121.474 119.800 0.217 0.000 2.049 1483 Q HA -0.131 4.208 4.340 -0.000 0.000 0.198 1483 Q C 2.145 178.145 176.000 -0.001 0.000 0.971 1483 Q CA 2.246 58.105 55.803 0.094 0.000 0.833 1483 Q CB -0.694 28.110 28.738 0.109 0.000 0.896 1483 Q HN 0.143 nan 8.270 nan 0.000 0.434 1484 Q N -0.785 119.025 119.800 0.017 0.000 2.045 1484 Q HA -0.221 4.119 4.340 -0.000 0.000 0.206 1484 Q C 1.974 177.934 176.000 -0.067 0.000 0.991 1484 Q CA 1.970 57.734 55.803 -0.065 0.000 0.851 1484 Q CB -0.663 27.991 28.738 -0.141 0.000 0.911 1484 Q HN 0.533 nan 8.270 nan 0.000 0.418 1485 Y N 1.769 121.969 120.300 -0.168 0.000 2.030 1485 Y HA -0.297 4.253 4.550 -0.000 0.000 0.274 1485 Y C 2.316 178.027 175.900 -0.314 0.000 1.153 1485 Y CA 2.125 60.075 58.100 -0.250 0.000 1.115 1485 Y CB -0.421 37.822 38.460 -0.361 0.000 0.969 1485 Y HN 0.156 nan 8.280 nan 0.000 0.488 1486 Q N -0.121 119.384 119.800 -0.492 0.000 2.181 1486 Q HA -0.203 4.137 4.340 -0.000 0.000 0.205 1486 Q C 1.919 177.737 176.000 -0.304 0.000 0.980 1486 Q CA 1.887 57.387 55.803 -0.505 0.000 0.862 1486 Q CB -0.610 27.892 28.738 -0.395 0.000 0.905 1486 Q HN 0.624 nan 8.270 nan 0.000 0.429 1487 D N -0.307 119.968 120.400 -0.209 0.000 2.103 1487 D HA -0.087 4.553 4.640 -0.000 0.000 0.199 1487 D C 1.567 177.783 176.300 -0.140 0.000 0.978 1487 D CA 1.615 55.533 54.000 -0.136 0.000 0.829 1487 D CB 0.139 40.883 40.800 -0.093 0.000 0.981 1487 D HN 0.125 nan 8.370 nan 0.000 0.464 1488 T N 0.394 114.852 114.554 -0.160 0.000 2.788 1488 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 1488 T C 1.734 176.340 174.700 -0.158 0.000 1.044 1488 T CA 0.574 62.591 62.100 -0.138 0.000 1.139 1488 T CB -0.229 68.561 68.868 -0.129 0.000 0.867 1488 T HN 0.047 nan 8.240 nan 0.000 0.454 1489 L N 0.950 122.019 121.223 -0.256 0.000 2.027 1489 L HA 0.013 4.352 4.340 -0.000 0.000 0.206 1489 L C 2.565 179.330 176.870 -0.174 0.000 1.074 1489 L CA 1.320 55.998 54.840 -0.270 0.000 0.745 1489 L CB -0.823 40.946 42.059 -0.483 0.000 0.898 1489 L HN 0.086 nan 8.230 nan 0.000 0.433 1490 V N -0.575 119.240 119.914 -0.165 0.000 2.332 1490 V HA -0.331 3.789 4.120 -0.000 0.000 0.248 1490 V C 2.502 178.556 176.094 -0.066 0.000 1.055 1490 V CA 1.860 64.099 62.300 -0.102 0.000 1.038 1490 V CB -0.566 31.204 31.823 -0.089 0.000 0.651 1490 V HN 0.434 nan 8.190 nan 0.000 0.450 1491 K N 0.140 120.500 120.400 -0.067 0.000 2.057 1491 K HA -0.069 4.250 4.320 -0.000 0.000 0.206 1491 K C 2.329 178.915 176.600 -0.023 0.000 1.050 1491 K CA 1.385 57.649 56.287 -0.039 0.000 0.935 1491 K CB -0.465 32.012 32.500 -0.038 0.000 0.715 1491 K HN 0.458 nan 8.250 nan 0.000 0.439 1492 A N 1.649 124.450 122.820 -0.033 0.000 1.908 1492 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 1492 A C 2.025 179.616 177.584 0.012 0.000 1.181 1492 A CA 1.463 53.496 52.037 -0.007 0.000 0.627 1492 A CB -0.425 18.561 19.000 -0.024 0.000 0.818 1492 A HN 0.207 nan 8.150 nan 0.000 0.445 1493 R N -0.714 119.780 120.500 -0.011 0.000 2.148 1493 R HA -0.051 4.289 4.340 -0.000 0.000 0.227 1493 R C 1.985 178.298 176.300 0.022 0.000 1.103 1493 R CA 1.217 57.320 56.100 0.006 0.000 0.983 1493 R CB -0.488 29.801 30.300 -0.018 0.000 0.874 1493 R HN 0.424 nan 8.270 nan 0.000 0.451 1494 V N 1.579 121.499 119.914 0.010 0.000 2.295 1494 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 1494 V C 2.319 178.431 176.094 0.030 0.000 1.049 1494 V CA 1.699 64.008 62.300 0.015 0.000 1.024 1494 V CB -0.436 31.388 31.823 0.001 0.000 0.648 1494 V HN 0.265 nan 8.190 nan 0.000 0.447 1495 L N -0.700 120.542 121.223 0.033 0.000 2.042 1495 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 1495 L C 2.354 179.280 176.870 0.094 0.000 1.076 1495 L CA 1.766 56.627 54.840 0.034 0.000 0.749 1495 L CB -0.507 41.573 42.059 0.034 0.000 0.893 1495 L HN 0.267 nan 8.230 nan 0.000 0.432 1496 I N -0.234 120.433 120.570 0.162 0.000 2.226 1496 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 1496 I C 1.762 178.033 176.117 0.258 0.000 1.100 1496 I CA 1.306 62.778 61.300 0.286 0.000 1.374 1496 I CB -0.266 37.834 38.000 0.167 0.000 1.057 1496 I HN 0.366 nan 8.210 nan 0.000 0.413 1497 N N 0.585 119.366 118.700 0.134 0.000 2.280 1497 N HA 0.011 4.750 4.740 -0.000 0.000 0.192 1497 N C 0.518 176.077 175.510 0.081 0.000 1.109 1497 N CA 0.054 53.164 53.050 0.100 0.000 0.855 1497 N CB 0.278 38.798 38.487 0.056 0.000 0.974 1497 N HN 0.295 nan 8.380 nan 0.000 0.482 1498 K N 2.041 122.483 120.400 0.070 0.000 2.489 1498 K HA -0.013 4.306 4.320 -0.000 0.000 0.278 1498 K C -0.249 176.378 176.600 0.046 0.000 1.000 1498 K CA -0.179 56.131 56.287 0.038 0.000 1.012 1498 K CB 0.382 32.889 32.500 0.010 0.000 0.903 1498 K HN -0.063 nan 8.250 nan 0.000 0.485 1499 N N 2.515 121.235 118.700 0.033 0.000 2.365 1499 N HA -0.021 4.719 4.740 -0.000 0.000 0.265 1499 N C 0.760 176.282 175.510 0.020 0.000 1.288 1499 N CA 1.333 54.402 53.050 0.031 0.000 0.869 1499 N CB 0.579 39.078 38.487 0.021 0.000 1.071 1499 N HN 0.874 nan 8.380 nan 0.000 0.480 1500 G N 0.361 109.178 108.800 0.030 0.000 2.141 1500 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.242 1500 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.242 1500 G C 0.349 175.232 174.900 -0.029 0.000 0.982 1500 G CA 0.122 45.227 45.100 0.009 0.000 0.662 1500 G HN 0.922 nan 8.290 nan 0.000 0.527 1501 A N 0.086 122.885 122.820 -0.034 0.000 2.555 1501 A HA 0.606 4.926 4.320 -0.000 0.000 0.233 1501 A C 1.060 178.421 177.584 -0.372 0.000 1.060 1501 A CA 1.775 53.682 52.037 -0.217 0.000 0.759 1501 A CB 0.185 19.069 19.000 -0.193 0.000 0.995 1501 A HN 2.027 nan 8.150 nan 0.000 0.506 1502 T N -2.165 112.029 114.554 -0.600 0.000 2.883 1502 T HA 0.647 4.997 4.350 -0.000 0.000 0.284 1502 T C 1.152 175.458 174.700 -0.657 0.000 1.041 1502 T CA -0.002 61.842 62.100 -0.427 0.000 1.007 1502 T CB 1.255 70.002 68.868 -0.202 0.000 1.220 1502 T HN 1.448 nan 8.240 nan 0.000 0.552 1503 A N -0.093 122.613 122.820 -0.190 0.000 1.940 1503 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 1503 A C 2.205 179.738 177.584 -0.085 0.000 1.176 1503 A CA 2.181 54.218 52.037 0.001 0.000 0.631 1503 A CB -1.271 17.767 19.000 0.064 0.000 0.814 1503 A HN 1.009 nan 8.150 nan 0.000 0.446 1504 E N -0.108 120.013 120.200 -0.132 0.000 2.051 1504 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 1504 E C 1.345 177.868 176.600 -0.129 0.000 0.991 1504 E CA 1.383 57.724 56.400 -0.099 0.000 0.799 1504 E CB -0.153 29.497 29.700 -0.082 0.000 0.748 1504 E HN 0.588 nan 8.360 nan 0.000 0.449 1505 D N 0.007 120.247 120.400 -0.267 0.000 2.116 1505 D HA -0.196 4.444 4.640 -0.000 0.000 0.193 1505 D C 1.799 178.006 176.300 -0.155 0.000 0.998 1505 D CA 1.172 55.005 54.000 -0.278 0.000 0.836 1505 D CB -0.433 40.100 40.800 -0.444 0.000 0.951 1505 D HN 0.270 nan 8.370 nan 0.000 0.449 1506 F N 1.225 121.190 119.950 0.025 0.000 2.234 1506 F HA -0.063 4.464 4.527 -0.000 0.000 0.299 1506 F C 2.694 178.531 175.800 0.061 0.000 1.087 1506 F CA 0.724 58.748 58.000 0.039 0.000 1.340 1506 F CB -1.332 37.681 39.000 0.023 0.000 1.031 1506 F HN -0.105 nan 8.300 nan 0.000 0.500 1507 T N -0.040 114.616 114.554 0.169 0.000 2.812 1507 T HA -0.118 4.232 4.350 -0.000 0.000 0.264 1507 T C 1.969 176.748 174.700 0.132 0.000 1.042 1507 T CA 1.091 63.261 62.100 0.117 0.000 1.140 1507 T CB -0.154 68.738 68.868 0.040 0.000 0.870 1507 T HN 0.168 nan 8.240 nan 0.000 0.445 1508 K N 1.305 121.753 120.400 0.081 0.000 2.032 1508 K HA -0.047 4.273 4.320 -0.000 0.000 0.209 1508 K C 2.677 179.337 176.600 0.101 0.000 1.048 1508 K CA 1.342 57.672 56.287 0.072 0.000 0.927 1508 K CB -0.347 32.174 32.500 0.035 0.000 0.712 1508 K HN 0.277 nan 8.250 nan 0.000 0.441 1509 A N 0.708 123.602 122.820 0.123 0.000 1.908 1509 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 1509 A C 2.078 179.744 177.584 0.137 0.000 1.181 1509 A CA 1.438 53.548 52.037 0.122 0.000 0.627 1509 A CB -0.837 18.255 19.000 0.152 0.000 0.818 1509 A HN 0.446 nan 8.150 nan 0.000 0.445 1510 Y N 0.923 121.262 120.300 0.066 0.000 2.145 1510 Y HA -0.240 4.310 4.550 -0.000 0.000 0.286 1510 Y C 1.942 177.866 175.900 0.040 0.000 1.145 1510 Y CA 2.159 60.290 58.100 0.052 0.000 1.148 1510 Y CB -0.094 38.399 38.460 0.055 0.000 0.981 1510 Y HN 0.345 nan 8.280 nan 0.000 0.507 1511 D N 0.249 120.800 120.400 0.252 0.000 2.144 1511 D HA -0.178 4.462 4.640 -0.000 0.000 0.200 1511 D C 2.276 178.605 176.300 0.049 0.000 0.978 1511 D CA 1.508 55.600 54.000 0.153 0.000 0.833 1511 D CB -0.335 40.547 40.800 0.137 0.000 0.961 1511 D HN 0.455 nan 8.370 nan 0.000 0.470 1512 I N 0.444 121.039 120.570 0.041 0.000 2.208 1512 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 1512 I C 2.180 178.285 176.117 -0.019 0.000 1.097 1512 I CA 0.844 62.151 61.300 0.011 0.000 1.363 1512 I CB 0.003 38.010 38.000 0.013 0.000 1.051 1512 I HN -0.014 nan 8.210 nan 0.000 0.413 1513 L N -0.812 120.380 121.223 -0.052 0.000 2.179 1513 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 1513 L C 2.426 179.245 176.870 -0.085 0.000 1.096 1513 L CA 0.482 55.277 54.840 -0.076 0.000 0.779 1513 L CB -0.475 41.513 42.059 -0.120 0.000 0.922 1513 L HN 0.035 nan 8.230 nan 0.000 0.443 1514 V N 0.269 120.101 119.914 -0.138 0.000 2.343 1514 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 1514 V C 2.749 178.840 176.094 -0.005 0.000 1.051 1514 V CA 1.864 64.112 62.300 -0.086 0.000 1.036 1514 V CB -0.806 30.976 31.823 -0.068 0.000 0.654 1514 V HN 0.473 nan 8.190 nan 0.000 0.451 1515 A N -0.216 122.606 122.820 0.004 0.000 1.898 1515 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 1515 A C 2.140 179.752 177.584 0.046 0.000 1.181 1515 A CA 1.806 53.855 52.037 0.021 0.000 0.620 1515 A CB -0.562 18.443 19.000 0.008 0.000 0.819 1515 A HN 0.443 nan 8.150 nan 0.000 0.442 1516 L N 0.360 121.604 121.223 0.036 0.000 2.079 1516 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 1516 L C 1.902 178.837 176.870 0.109 0.000 1.081 1516 L CA 2.740 57.627 54.840 0.077 0.000 0.752 1516 L CB -0.649 41.439 42.059 0.049 0.000 0.896 1516 L HN 0.467 nan 8.230 nan 0.000 0.433 1517 D N -0.570 119.888 120.400 0.096 0.000 2.078 1517 D HA -0.267 4.372 4.640 -0.000 0.000 0.193 1517 D C 2.128 178.478 176.300 0.083 0.000 0.990 1517 D CA 1.641 55.724 54.000 0.140 0.000 0.827 1517 D CB -0.135 40.743 40.800 0.129 0.000 0.975 1517 D HN 0.555 nan 8.370 nan 0.000 0.451 1518 E N -1.316 118.922 120.200 0.063 0.000 2.070 1518 E HA -0.281 4.069 4.350 -0.000 0.000 0.197 1518 E C 2.220 178.830 176.600 0.017 0.000 1.004 1518 E CA 1.141 57.563 56.400 0.038 0.000 0.805 1518 E CB -0.425 29.295 29.700 0.033 0.000 0.744 1518 E HN 0.478 nan 8.360 nan 0.000 0.451 1519 Y N 0.564 120.826 120.300 -0.064 0.000 2.097 1519 Y HA -0.262 4.288 4.550 -0.000 0.000 0.282 1519 Y C 2.262 178.087 175.900 -0.124 0.000 1.152 1519 Y CA 2.218 60.266 58.100 -0.086 0.000 1.136 1519 Y CB -0.398 38.012 38.460 -0.083 0.000 0.975 1519 Y HN 0.111 nan 8.280 nan 0.000 0.498 1520 M N 0.846 120.240 119.600 -0.344 0.000 2.279 1520 M HA -0.137 4.342 4.480 -0.000 0.000 0.264 1520 M C 1.849 177.860 176.300 -0.482 0.000 1.062 1520 M CA 1.574 56.496 55.300 -0.631 0.000 1.099 1520 M CB -0.336 31.694 32.600 -0.951 0.000 1.394 1520 M HN 0.173 nan 8.290 nan 0.000 0.426 1521 K N -1.174 119.089 120.400 -0.228 0.000 2.209 1521 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 1521 K C 1.031 177.550 176.600 -0.136 0.000 1.048 1521 K CA 1.648 57.889 56.287 -0.076 0.000 0.940 1521 K CB -0.250 32.244 32.500 -0.009 0.000 0.729 1521 K HN 0.524 nan 8.250 nan 0.000 0.451 1522 T N -2.722 111.687 114.554 -0.242 0.000 3.252 1522 T HA 0.443 4.792 4.350 -0.000 0.000 0.286 1522 T C 0.090 174.605 174.700 -0.308 0.000 1.013 1522 T CA -0.656 61.315 62.100 -0.215 0.000 0.914 1522 T CB 0.576 69.349 68.868 -0.158 0.000 1.131 1522 T HN 0.057 nan 8.240 nan 0.000 0.529 1523 A N 2.637 125.191 122.820 -0.442 0.000 2.407 1523 A HA 0.649 4.969 4.320 -0.000 0.000 0.248 1523 A C -1.259 176.202 177.584 -0.204 0.000 1.082 1523 A CA -1.026 50.724 52.037 -0.480 0.000 0.785 1523 A CB -0.664 17.979 19.000 -0.594 0.000 1.020 1523 A HN 0.440 nan 8.150 nan 0.000 0.489 1524 P HA 0.000 nan 4.420 nan 0.000 0.216 1524 P CA 0.000 63.075 63.100 -0.041 0.000 0.800 1524 P CB 0.000 31.705 31.700 0.009 0.000 0.726