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 2ebs_1_B DATA FIRST_RESID 3 DATA SEQUENCE HYEFKNVAIG GGGYITGIVA HPKTKDLLYA RTDIGGAYRW DAGTSKWIPL DATA SEQUENCE NDFIEAQDMN IMGTESIALD PNNPDRLYLA QGRYVGDEWA AFYVSEDRGQ DATA SEQUENCE SFTIYESPFP MGANDMGRNN GERLAVNPFN SNEVWMGTRT EGIWKSSDRA DATA SEQUENCE KTWTNVTSIP DAFTNGIGYT SVIFDPERNG TIYASATAPQ GMYVTHDGGV DATA SEQUENCE SWEPVAGQPS SWLNRTTGAF PDKKPASIAP QPMKVALTPN FLYVTYADYP DATA SEQUENCE GPWGVTFGEV WRQNRTSGAW DDITPRVGNS SPAPYNNQTF PAGGFCGLSV DATA SEQUENCE DATNPNRLVV ITLDRDPGPA LDSIYLSTDA GATWKDVTQL SSPSNLEGNW DATA SEQUENCE GHPTNAARYK DGTPVPWLDF NNGPQWGGYG APHGTPGLTK FGWWMSAVLI DATA SEQUENCE DPFNPEHLMY GTGATIWATD TLSRVEKDWA PSWYLQIDGI EENAILSLRS DATA SEQUENCE PKSGAALLSG IGNISGMKHD DLTKPQKMFG APQFSNLDSI DAAGNFPNVV DATA SEQUENCE VRAGSSGHEY DSAcARGAYA TDGGDAWTIF PTcPPGMNAS HYQGSTIAVD DATA SEQUENCE ASGSQIVWST KLDEQASGPW YSHDYGKTWS VPAGDLKAQT ANVLSDKVQD DATA SEQUENCE GTFYATDGGK FFVSTDGGKS YAAKGAGLVT GTSLMPAVNP WVAGDVWVPV DATA SEQUENCE PEGGLFHSTD FGASFTRVGT ANATLVSVGA PKSXXXXXXX SAPSAVFIWG DATA SEQUENCE TDKPGSDIGL YRSDDNGSTW TRVNDQEHNY SGPTMIEADP KVYGRVYLGT DATA SEQUENCE NGRGIVYADL TXXXXXXXKS TAKcANGQKG THcYV 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 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.256 175.328 -0.120 0.000 0.993 3 H CA 0.000 56.034 56.048 -0.024 0.000 1.023 3 H CB 0.000 29.760 29.762 -0.003 0.000 1.292 4 Y N 2.251 122.212 120.300 -0.566 0.000 2.387 4 Y HA 0.378 4.929 4.550 0.000 0.000 0.330 4 Y C 0.271 175.821 175.900 -0.583 0.000 1.133 4 Y CA -0.288 57.527 58.100 -0.474 0.000 1.152 4 Y CB 1.663 39.933 38.460 -0.317 0.000 1.215 4 Y HN 0.616 nan 8.280 nan 0.000 0.466 5 E N 2.837 122.945 120.200 -0.153 0.000 2.210 5 E HA 0.403 4.753 4.350 0.000 0.000 0.266 5 E C -1.897 174.617 176.600 -0.143 0.000 0.883 5 E CA -0.616 55.765 56.400 -0.031 0.000 0.761 5 E CB 0.927 30.630 29.700 0.005 0.000 1.156 5 E HN 0.447 nan 8.360 nan 0.000 0.412 6 F N 3.155 123.069 119.950 -0.060 0.000 2.436 6 F HA 0.476 5.004 4.527 0.000 0.000 0.340 6 F C 0.303 176.029 175.800 -0.123 0.000 1.113 6 F CA -0.448 57.508 58.000 -0.075 0.000 1.022 6 F CB 1.511 40.614 39.000 0.172 0.000 1.128 6 F HN 0.224 nan 8.300 nan 0.000 0.466 7 K N 1.655 121.902 120.400 -0.255 0.000 2.480 7 K HA 0.388 4.708 4.320 0.000 0.000 0.258 7 K C -1.349 175.131 176.600 -0.200 0.000 0.990 7 K CA -1.270 54.867 56.287 -0.251 0.000 0.857 7 K CB 2.403 34.671 32.500 -0.386 0.000 1.384 7 K HN 0.451 nan 8.250 nan 0.000 0.446 8 N N 0.089 118.803 118.700 0.024 0.000 2.518 8 N HA 0.172 4.912 4.740 0.000 0.000 0.283 8 N C -0.819 174.867 175.510 0.293 0.000 1.119 8 N CA -0.434 52.690 53.050 0.125 0.000 0.983 8 N CB 1.160 39.725 38.487 0.130 0.000 1.139 8 N HN 0.157 nan 8.380 nan 0.000 0.465 9 V N 2.107 122.210 119.914 0.315 0.000 2.540 9 V HA 0.101 4.222 4.120 0.000 0.000 0.297 9 V C 0.539 176.726 176.094 0.156 0.000 1.024 9 V CA -0.400 62.011 62.300 0.186 0.000 1.105 9 V CB 0.115 31.876 31.823 -0.104 0.000 0.938 9 V HN 0.762 nan 8.190 nan 0.000 0.482 10 A N 6.162 129.101 122.820 0.198 0.000 2.491 10 A HA 0.531 4.852 4.320 0.000 0.000 0.261 10 A C 0.640 178.369 177.584 0.242 0.000 1.101 10 A CA 0.065 52.238 52.037 0.226 0.000 0.772 10 A CB -0.084 19.053 19.000 0.229 0.000 1.043 10 A HN 0.857 nan 8.150 nan 0.000 0.501 11 I N 1.561 122.286 120.570 0.258 0.000 3.746 11 I HA 0.374 4.544 4.170 0.000 0.000 0.262 11 I C 1.195 177.627 176.117 0.524 0.000 1.153 11 I CA 0.640 62.126 61.300 0.309 0.000 1.395 11 I CB 0.395 38.444 38.000 0.082 0.000 1.589 11 I HN 0.866 nan 8.210 nan 0.000 0.441 12 G N 1.482 110.527 108.800 0.409 0.000 2.932 12 G HA2 0.324 4.284 3.960 0.000 0.000 0.180 12 G HA3 0.324 4.284 3.960 0.000 0.000 0.180 12 G C 0.194 175.306 174.900 0.353 0.000 1.072 12 G CA -0.179 45.170 45.100 0.415 0.000 0.997 12 G HN 0.976 nan 8.290 nan 0.000 0.541 13 G N -0.527 108.405 108.800 0.220 0.000 2.541 13 G HA2 0.563 4.523 3.960 0.000 0.000 0.208 13 G HA3 0.563 4.523 3.960 0.000 0.000 0.208 13 G C 1.091 176.077 174.900 0.143 0.000 1.191 13 G CA 1.484 46.677 45.100 0.154 0.000 1.217 13 G HN 2.565 nan 8.290 nan 0.000 0.566 14 G N -1.023 107.889 108.800 0.187 0.000 3.034 14 G HA2 0.607 4.567 3.960 0.000 0.000 0.222 14 G HA3 0.607 4.567 3.960 0.000 0.000 0.222 14 G C 0.614 175.616 174.900 0.170 0.000 0.980 14 G CA 1.105 46.364 45.100 0.265 0.000 1.008 14 G HN 2.133 nan 8.290 nan 0.000 0.632 15 G N -0.985 107.924 108.800 0.182 0.000 3.086 15 G HA2 0.553 4.513 3.960 0.000 0.000 0.282 15 G HA3 0.553 4.513 3.960 0.000 0.000 0.282 15 G C -1.371 173.689 174.900 0.266 0.000 1.343 15 G CA -1.108 44.115 45.100 0.205 0.000 0.895 15 G HN 0.612 nan 8.290 nan 0.000 0.557 16 Y N 1.217 121.610 120.300 0.154 0.000 2.365 16 Y HA 0.505 5.055 4.550 0.000 0.000 0.340 16 Y C -0.120 175.850 175.900 0.117 0.000 1.016 16 Y CA -1.999 56.220 58.100 0.198 0.000 1.196 16 Y CB 0.499 39.183 38.460 0.374 0.000 1.167 16 Y HN 0.098 nan 8.280 nan 0.000 0.509 17 I N 7.333 127.905 120.570 0.003 0.000 2.312 17 I HA 0.071 4.241 4.170 0.000 0.000 0.291 17 I C 1.231 177.094 176.117 -0.424 0.000 1.031 17 I CA 0.023 61.206 61.300 -0.195 0.000 1.293 17 I CB 0.685 38.613 38.000 -0.120 0.000 1.403 17 I HN 0.775 nan 8.210 nan 0.000 0.484 18 T N 1.620 115.893 114.554 -0.469 0.000 3.037 18 T HA 0.322 4.672 4.350 0.000 0.000 0.251 18 T C 0.754 175.341 174.700 -0.189 0.000 1.079 18 T CA -0.012 61.803 62.100 -0.475 0.000 1.067 18 T CB 0.518 69.110 68.868 -0.459 0.000 0.948 18 T HN 0.672 nan 8.240 nan 0.000 0.496 19 G N 0.475 109.204 108.800 -0.118 0.000 2.742 19 G HA2 0.615 4.575 3.960 0.000 0.000 0.296 19 G HA3 0.615 4.575 3.960 0.000 0.000 0.296 19 G C -1.827 173.076 174.900 0.006 0.000 1.436 19 G CA -0.946 44.140 45.100 -0.024 0.000 0.928 19 G HN 0.345 nan 8.290 nan 0.000 0.520 20 I N 1.378 121.985 120.570 0.061 0.000 2.468 20 I HA 0.453 4.623 4.170 0.000 0.000 0.285 20 I C -0.715 175.505 176.117 0.172 0.000 1.039 20 I CA -1.018 60.351 61.300 0.115 0.000 1.074 20 I CB 2.271 40.329 38.000 0.097 0.000 1.228 20 I HN 0.167 nan 8.210 nan 0.000 0.436 21 V N 5.028 125.093 119.914 0.253 0.000 2.588 21 V HA 0.767 4.887 4.120 0.000 0.000 0.304 21 V C -0.097 176.197 176.094 0.334 0.000 1.042 21 V CA -0.485 61.977 62.300 0.269 0.000 0.877 21 V CB 1.874 33.861 31.823 0.273 0.000 0.996 21 V HN 0.805 nan 8.190 nan 0.000 0.425 22 A N 2.858 125.845 122.820 0.278 0.000 2.350 22 A HA 0.661 4.981 4.320 0.000 0.000 0.324 22 A C -0.482 177.293 177.584 0.318 0.000 1.118 22 A CA -0.591 51.626 52.037 0.300 0.000 0.783 22 A CB 0.888 20.039 19.000 0.252 0.000 1.236 22 A HN 0.920 nan 8.150 nan 0.000 0.457 23 H N 3.543 122.783 119.070 0.284 0.000 2.764 23 H HA 0.127 4.683 4.556 0.000 0.000 0.341 23 H C -1.452 174.056 175.328 0.301 0.000 1.072 23 H CA -0.870 55.339 56.048 0.267 0.000 1.444 23 H CB 1.477 31.380 29.762 0.235 0.000 1.458 23 H HN 0.422 nan 8.280 nan 0.000 0.572 24 P HA -0.089 nan 4.420 nan 0.000 0.223 24 P C 0.497 178.034 177.300 0.396 0.000 1.151 24 P CA 1.119 64.293 63.100 0.124 0.000 0.787 24 P CB 0.584 32.261 31.700 -0.037 0.000 0.788 25 K N -1.341 119.421 120.400 0.602 0.000 2.402 25 K HA 0.209 4.529 4.320 0.000 0.000 0.203 25 K C 0.230 177.061 176.600 0.386 0.000 1.077 25 K CA 0.421 57.052 56.287 0.573 0.000 1.051 25 K CB 0.684 33.416 32.500 0.386 0.000 0.907 25 K HN 0.055 nan 8.250 nan 0.000 0.554 26 T N 2.141 116.876 114.554 0.302 0.000 2.815 26 T HA 0.210 4.560 4.350 0.000 0.000 0.289 26 T C -0.373 174.105 174.700 -0.370 0.000 1.000 26 T CA -0.539 61.476 62.100 -0.142 0.000 0.958 26 T CB 2.127 70.875 68.868 -0.200 0.000 0.944 26 T HN -0.033 nan 8.240 nan 0.000 0.442 27 K N 2.658 122.564 120.400 -0.824 0.000 2.448 27 K HA 0.024 4.344 4.320 0.000 0.000 0.278 27 K C 0.038 176.503 176.600 -0.226 0.000 1.009 27 K CA 0.235 56.044 56.287 -0.797 0.000 0.995 27 K CB 0.211 32.290 32.500 -0.702 0.000 0.917 27 K HN 0.576 nan 8.250 nan 0.000 0.481 28 D N 1.313 121.697 120.400 -0.027 0.000 3.059 28 D HA -0.221 4.419 4.640 0.000 0.000 0.220 28 D C -0.487 175.879 176.300 0.109 0.000 1.169 28 D CA 0.779 54.838 54.000 0.098 0.000 0.902 28 D CB -0.920 39.946 40.800 0.110 0.000 1.116 28 D HN 0.316 nan 8.370 nan 0.000 0.417 29 L N 1.288 122.554 121.223 0.072 0.000 2.356 29 L HA 0.341 4.681 4.340 0.000 0.000 0.282 29 L C -0.364 176.576 176.870 0.116 0.000 1.132 29 L CA 0.023 54.899 54.840 0.060 0.000 0.923 29 L CB 0.010 42.111 42.059 0.071 0.000 1.278 29 L HN 0.027 nan 8.230 nan 0.000 0.436 30 L N 4.349 125.593 121.223 0.036 0.000 2.341 30 L HA 0.597 4.937 4.340 0.000 0.000 0.267 30 L C -1.140 175.785 176.870 0.092 0.000 1.009 30 L CA -0.931 54.005 54.840 0.159 0.000 0.819 30 L CB 1.724 43.888 42.059 0.176 0.000 1.323 30 L HN 0.286 nan 8.230 nan 0.000 0.425 31 Y N 0.180 120.779 120.300 0.498 0.000 2.576 31 Y HA 0.791 5.341 4.550 0.000 0.000 0.346 31 Y C -0.082 176.041 175.900 0.372 0.000 1.018 31 Y CA -0.859 57.554 58.100 0.522 0.000 1.050 31 Y CB 2.408 41.081 38.460 0.356 0.000 1.280 31 Y HN 0.638 nan 8.280 nan 0.000 0.474 32 A N 2.113 125.147 122.820 0.356 0.000 2.414 32 A HA 0.859 5.179 4.320 0.000 0.000 0.306 32 A C -1.073 176.566 177.584 0.092 0.000 1.054 32 A CA -1.066 50.973 52.037 0.003 0.000 0.724 32 A CB 1.248 19.895 19.000 -0.588 0.000 1.267 32 A HN 0.810 nan 8.150 nan 0.000 0.418 33 R N 0.404 120.917 120.500 0.022 0.000 2.668 33 R HA 0.845 5.185 4.340 0.000 0.000 0.279 33 R C -0.485 175.770 176.300 -0.074 0.000 0.976 33 R CA -0.276 55.823 56.100 -0.002 0.000 0.978 33 R CB 1.488 31.777 30.300 -0.019 0.000 1.133 33 R HN 0.704 nan 8.270 nan 0.000 0.484 34 T N -2.525 111.992 114.554 -0.062 0.000 2.896 34 T HA 0.173 4.523 4.350 0.000 0.000 0.297 34 T C 0.175 174.821 174.700 -0.089 0.000 1.108 34 T CA -0.717 61.332 62.100 -0.085 0.000 1.004 34 T CB 1.778 70.652 68.868 0.010 0.000 1.159 34 T HN 0.658 nan 8.240 nan 0.000 0.499 35 D N 1.020 121.377 120.400 -0.071 0.000 2.183 35 D HA -0.040 4.600 4.640 0.000 0.000 0.203 35 D C 1.531 177.794 176.300 -0.062 0.000 0.969 35 D CA 1.273 55.244 54.000 -0.048 0.000 0.842 35 D CB -0.369 40.473 40.800 0.070 0.000 0.957 35 D HN 0.779 nan 8.370 nan 0.000 0.484 36 I N -4.861 115.702 120.570 -0.012 0.000 4.338 36 I HA 0.554 4.724 4.170 0.000 0.000 0.329 36 I C 1.296 177.399 176.117 -0.023 0.000 1.378 36 I CA -0.299 60.984 61.300 -0.029 0.000 1.170 36 I CB 1.084 39.103 38.000 0.032 0.000 1.206 36 I HN -0.028 nan 8.210 nan 0.000 0.432 37 G N 0.652 109.449 108.800 -0.004 0.000 3.519 37 G HA2 0.573 4.533 3.960 0.000 0.000 0.269 37 G HA3 0.573 4.533 3.960 0.000 0.000 0.269 37 G C 0.739 175.626 174.900 -0.022 0.000 1.028 37 G CA 0.164 45.282 45.100 0.030 0.000 0.809 37 G HN 0.760 nan 8.290 nan 0.000 0.521 38 G N -0.120 108.622 108.800 -0.096 0.000 2.553 38 G HA2 0.320 4.280 3.960 0.000 0.000 0.242 38 G HA3 0.320 4.280 3.960 0.000 0.000 0.242 38 G C 0.213 175.049 174.900 -0.107 0.000 1.277 38 G CA -0.143 44.855 45.100 -0.170 0.000 0.910 38 G HN 1.475 nan 8.290 nan 0.000 0.576 39 A N -1.294 121.440 122.820 -0.143 0.000 2.350 39 A HA 0.931 5.251 4.320 0.000 0.000 0.318 39 A C -1.173 176.369 177.584 -0.069 0.000 1.132 39 A CA -0.418 51.629 52.037 0.017 0.000 0.811 39 A CB 1.482 20.538 19.000 0.094 0.000 1.313 39 A HN 1.469 nan 8.150 nan 0.000 0.454 40 Y N -0.529 119.922 120.300 0.251 0.000 2.504 40 Y HA 0.555 5.105 4.550 0.000 0.000 0.344 40 Y C 0.144 176.390 175.900 0.578 0.000 1.023 40 Y CA -0.489 57.828 58.100 0.361 0.000 1.020 40 Y CB 2.038 40.661 38.460 0.273 0.000 1.282 40 Y HN 0.781 nan 8.280 nan 0.000 0.454 41 R N 3.395 124.276 120.500 0.636 0.000 2.294 41 R HA 0.181 4.521 4.340 0.000 0.000 0.319 41 R C -0.770 175.734 176.300 0.339 0.000 0.984 41 R CA -0.525 55.772 56.100 0.329 0.000 0.861 41 R CB 0.833 31.220 30.300 0.144 0.000 1.104 41 R HN 0.908 nan 8.270 nan 0.000 0.451 42 W N 5.299 126.533 121.300 -0.110 0.000 2.210 42 W HA 0.008 4.668 4.660 0.000 0.000 0.330 42 W C -0.887 175.431 176.519 -0.335 0.000 1.334 42 W CA 0.268 57.274 57.345 -0.566 0.000 1.227 42 W CB 0.843 29.783 29.460 -0.866 0.000 1.178 42 W HN 0.555 nan 8.180 nan 0.000 0.560 43 D N 4.527 124.250 120.400 -1.128 0.000 2.461 43 D HA 0.378 5.018 4.640 0.000 0.000 0.240 43 D C 0.802 176.381 176.300 -1.202 0.000 1.094 43 D CA -0.126 53.351 54.000 -0.873 0.000 0.868 43 D CB 1.474 41.954 40.800 -0.534 0.000 1.062 43 D HN 0.379 nan 8.370 nan 0.000 0.530 44 A N 2.892 125.246 122.820 -0.777 0.000 2.015 44 A HA 0.081 4.402 4.320 0.000 0.000 0.219 44 A C 1.999 179.397 177.584 -0.310 0.000 1.163 44 A CA 1.442 53.221 52.037 -0.431 0.000 0.646 44 A CB -0.500 18.450 19.000 -0.083 0.000 0.806 44 A HN 0.594 nan 8.150 nan 0.000 0.448 45 G N -0.439 108.188 108.800 -0.288 0.000 2.422 45 G HA2 -0.141 3.819 3.960 0.000 0.000 0.218 45 G HA3 -0.141 3.819 3.960 0.000 0.000 0.218 45 G C 1.524 176.295 174.900 -0.216 0.000 1.146 45 G CA 1.876 46.855 45.100 -0.202 0.000 0.769 45 G HN 0.707 nan 8.290 nan 0.000 0.547 46 T N -3.487 110.881 114.554 -0.309 0.000 3.023 46 T HA 0.321 4.671 4.350 0.000 0.000 0.253 46 T C 1.095 175.595 174.700 -0.334 0.000 1.038 46 T CA 0.822 62.763 62.100 -0.264 0.000 0.962 46 T CB 0.202 68.936 68.868 -0.224 0.000 1.018 46 T HN 0.211 nan 8.240 nan 0.000 0.521 47 S N 1.097 116.474 115.700 -0.539 0.000 3.682 47 S HA -0.130 4.340 4.470 0.000 0.000 0.354 47 S C -0.291 173.921 174.600 -0.647 0.000 1.034 47 S CA 0.633 58.484 58.200 -0.582 0.000 1.084 47 S CB -1.502 61.631 63.200 -0.111 0.000 0.903 47 S HN 0.770 nan 8.310 nan 0.000 0.470 48 K N -0.815 118.998 120.400 -0.978 0.000 2.502 48 K HA 0.476 4.797 4.320 0.000 0.000 0.257 48 K C -0.898 175.378 176.600 -0.539 0.000 0.938 48 K CA -0.704 55.282 56.287 -0.503 0.000 0.819 48 K CB 1.301 33.663 32.500 -0.231 0.000 1.333 48 K HN 0.183 nan 8.250 nan 0.000 0.434 49 W N 2.467 123.770 121.300 0.005 0.000 2.316 49 W HA 0.411 5.072 4.660 0.000 0.000 0.321 49 W C -0.005 176.655 176.519 0.236 0.000 1.203 49 W CA -0.385 57.066 57.345 0.177 0.000 1.214 49 W CB 0.486 30.020 29.460 0.123 0.000 1.169 49 W HN 0.232 nan 8.180 nan 0.000 0.561 50 I N 5.961 126.854 120.570 0.539 0.000 2.362 50 I HA 0.245 4.415 4.170 0.000 0.000 0.289 50 I C -1.843 174.483 176.117 0.348 0.000 0.994 50 I CA -2.460 59.059 61.300 0.365 0.000 1.158 50 I CB 1.495 39.594 38.000 0.166 0.000 1.315 50 I HN 0.003 nan 8.210 nan 0.000 0.451 51 P HA 0.132 nan 4.420 nan 0.000 0.271 51 P C -0.038 177.175 177.300 -0.144 0.000 1.216 51 P CA -0.015 62.866 63.100 -0.365 0.000 0.776 51 P CB 1.162 32.731 31.700 -0.217 0.000 0.881 52 L N 2.020 123.145 121.223 -0.164 0.000 2.858 52 L HA 0.281 4.621 4.340 0.000 0.000 0.251 52 L C 0.720 177.579 176.870 -0.017 0.000 1.149 52 L CA 0.370 55.273 54.840 0.104 0.000 0.955 52 L CB -0.313 41.959 42.059 0.355 0.000 1.289 52 L HN 0.336 nan 8.230 nan 0.000 0.542 53 N N -0.835 117.645 118.700 -0.367 0.000 2.377 53 N HA 0.044 4.784 4.740 0.000 0.000 0.259 53 N C 0.051 174.988 175.510 -0.955 0.000 1.332 53 N CA -0.188 52.366 53.050 -0.828 0.000 0.877 53 N CB 0.700 38.878 38.487 -0.516 0.000 1.299 53 N HN -0.001 nan 8.380 nan 0.000 0.501 54 D N 0.409 120.395 120.400 -0.689 0.000 2.363 54 D HA -0.058 4.583 4.640 0.000 0.000 0.226 54 D C 1.210 177.138 176.300 -0.620 0.000 1.020 54 D CA 0.506 54.118 54.000 -0.646 0.000 0.892 54 D CB 0.021 40.399 40.800 -0.703 0.000 0.900 54 D HN 0.477 nan 8.370 nan 0.000 0.531 55 F N -0.115 119.691 119.950 -0.241 0.000 2.748 55 F HA 0.200 4.727 4.527 0.000 0.000 0.299 55 F C 0.874 176.625 175.800 -0.082 0.000 1.154 55 F CA -0.606 57.290 58.000 -0.173 0.000 1.446 55 F CB -1.011 37.917 39.000 -0.120 0.000 1.112 55 F HN -0.233 nan 8.300 nan 0.000 0.584 56 I N 2.488 122.946 120.570 -0.187 0.000 2.668 56 I HA -0.032 4.138 4.170 0.000 0.000 0.285 56 I C 0.420 176.591 176.117 0.090 0.000 1.168 56 I CA 0.341 61.669 61.300 0.047 0.000 1.424 56 I CB 0.272 38.226 38.000 -0.077 0.000 1.377 56 I HN 0.200 nan 8.210 nan 0.000 0.560 57 E N 4.545 124.853 120.200 0.180 0.000 2.373 57 E HA 0.194 4.544 4.350 0.000 0.000 0.263 57 E C 0.999 177.696 176.600 0.163 0.000 1.073 57 E CA -0.177 56.335 56.400 0.186 0.000 0.894 57 E CB 0.960 30.770 29.700 0.184 0.000 1.008 57 E HN 0.741 nan 8.360 nan 0.000 0.420 58 A N 2.875 125.821 122.820 0.210 0.000 1.958 58 A HA -0.329 3.991 4.320 0.000 0.000 0.221 58 A C 2.030 179.686 177.584 0.120 0.000 1.178 58 A CA 2.277 54.405 52.037 0.151 0.000 0.642 58 A CB -0.775 18.374 19.000 0.248 0.000 0.816 58 A HN 0.788 nan 8.150 nan 0.000 0.453 59 Q N -1.581 118.285 119.800 0.111 0.000 2.488 59 Q HA -0.058 4.282 4.340 0.000 0.000 0.211 59 Q C -0.189 175.862 176.000 0.085 0.000 0.967 59 Q CA 1.316 57.145 55.803 0.043 0.000 0.926 59 Q CB -0.043 28.639 28.738 -0.093 0.000 0.992 59 Q HN 0.484 nan 8.270 nan 0.000 0.506 60 D N 0.087 120.576 120.400 0.149 0.000 2.593 60 D HA 0.130 4.770 4.640 0.000 0.000 0.241 60 D C 0.883 177.234 176.300 0.086 0.000 1.257 60 D CA -0.170 53.966 54.000 0.228 0.000 0.828 60 D CB 0.240 41.276 40.800 0.393 0.000 1.049 60 D HN 0.278 nan 8.370 nan 0.000 0.490 61 M N 0.645 120.281 119.600 0.059 0.000 2.108 61 M HA -0.227 4.253 4.480 0.000 0.000 0.257 61 M C 0.954 177.233 176.300 -0.034 0.000 1.071 61 M CA 1.441 56.749 55.300 0.013 0.000 1.093 61 M CB 0.089 32.706 32.600 0.027 0.000 1.345 61 M HN -0.069 nan 8.290 nan 0.000 0.403 62 N N 0.516 119.198 118.700 -0.030 0.000 2.520 62 N HA -0.062 4.678 4.740 0.000 0.000 0.185 62 N C 1.307 176.666 175.510 -0.252 0.000 1.068 62 N CA 0.840 53.831 53.050 -0.099 0.000 0.911 62 N CB -0.295 38.187 38.487 -0.009 0.000 0.961 62 N HN 0.432 nan 8.380 nan 0.000 0.446 63 I N 0.022 120.430 120.570 -0.269 0.000 2.761 63 I HA -0.012 4.158 4.170 0.000 0.000 0.261 63 I C 0.991 176.902 176.117 -0.343 0.000 1.198 63 I CA 0.260 61.320 61.300 -0.400 0.000 1.482 63 I CB -0.729 37.036 38.000 -0.392 0.000 1.100 63 I HN 0.110 nan 8.210 nan 0.000 0.445 64 M N 2.155 121.614 119.600 -0.234 0.000 3.042 64 M HA 0.427 4.907 4.480 0.000 0.000 0.283 64 M C -0.015 176.154 176.300 -0.218 0.000 1.473 64 M CA 0.141 55.312 55.300 -0.214 0.000 1.583 64 M CB -0.828 31.689 32.600 -0.139 0.000 1.221 64 M HN 0.141 nan 8.290 nan 0.000 0.518 65 G N 1.782 110.421 108.800 -0.269 0.000 2.174 65 G HA2 0.298 4.258 3.960 0.000 0.000 0.312 65 G HA3 0.298 4.258 3.960 0.000 0.000 0.312 65 G C -1.298 173.437 174.900 -0.276 0.000 1.663 65 G CA -0.920 44.032 45.100 -0.246 0.000 0.920 65 G HN 0.308 nan 8.290 nan 0.000 0.664 66 T N 1.854 116.280 114.554 -0.213 0.000 2.753 66 T HA 0.312 4.663 4.350 0.000 0.000 0.297 66 T C 1.202 175.810 174.700 -0.154 0.000 0.981 66 T CA -0.233 61.747 62.100 -0.199 0.000 0.956 66 T CB 1.973 70.762 68.868 -0.132 0.000 0.936 66 T HN 0.713 nan 8.240 nan 0.000 0.463 67 E N 3.043 123.143 120.200 -0.167 0.000 2.072 67 E HA -0.002 4.348 4.350 0.000 0.000 0.190 67 E C 0.647 177.217 176.600 -0.050 0.000 0.982 67 E CA 0.619 56.948 56.400 -0.119 0.000 0.803 67 E CB 0.332 29.950 29.700 -0.136 0.000 0.755 67 E HN 0.484 nan 8.360 nan 0.000 0.453 68 S N -1.377 114.314 115.700 -0.015 0.000 2.550 68 S HA 0.534 5.004 4.470 0.000 0.000 0.270 68 S C -1.532 173.128 174.600 0.100 0.000 1.145 68 S CA -0.876 57.361 58.200 0.062 0.000 0.852 68 S CB 0.812 64.083 63.200 0.117 0.000 1.119 68 S HN 0.196 nan 8.310 nan 0.000 0.465 69 I N 2.708 123.354 120.570 0.127 0.000 2.436 69 I HA 0.670 4.840 4.170 0.000 0.000 0.289 69 I C -0.157 176.078 176.117 0.197 0.000 1.010 69 I CA -0.675 60.715 61.300 0.149 0.000 1.098 69 I CB 1.777 39.852 38.000 0.125 0.000 1.266 69 I HN 0.698 nan 8.210 nan 0.000 0.434 70 A N 7.701 130.675 122.820 0.257 0.000 2.343 70 A HA 0.865 5.185 4.320 0.000 0.000 0.316 70 A C -0.952 176.829 177.584 0.329 0.000 1.104 70 A CA -0.490 51.720 52.037 0.289 0.000 0.768 70 A CB 1.154 20.337 19.000 0.304 0.000 1.213 70 A HN 0.669 nan 8.150 nan 0.000 0.456 71 L N 1.284 122.673 121.223 0.277 0.000 2.330 71 L HA 0.437 4.777 4.340 0.000 0.000 0.271 71 L C -0.582 176.453 176.870 0.276 0.000 1.013 71 L CA -0.987 54.035 54.840 0.303 0.000 0.816 71 L CB 1.861 44.109 42.059 0.315 0.000 1.287 71 L HN 0.678 nan 8.230 nan 0.000 0.435 72 D N 3.396 123.994 120.400 0.331 0.000 2.313 72 D HA 0.177 4.817 4.640 0.000 0.000 0.239 72 D C -1.654 174.782 176.300 0.228 0.000 1.142 72 D CA -1.985 52.167 54.000 0.253 0.000 0.847 72 D CB 1.786 42.763 40.800 0.295 0.000 1.082 72 D HN 0.197 nan 8.370 nan 0.000 0.480 73 P HA -0.083 nan 4.420 nan 0.000 0.222 73 P C 0.423 177.800 177.300 0.128 0.000 1.147 73 P CA 0.724 63.802 63.100 -0.037 0.000 0.790 73 P CB 0.530 32.175 31.700 -0.092 0.000 0.780 74 N N -0.515 118.250 118.700 0.107 0.000 2.236 74 N HA 0.055 4.796 4.740 0.000 0.000 0.196 74 N C 0.002 175.579 175.510 0.112 0.000 1.114 74 N CA 0.246 53.347 53.050 0.086 0.000 0.859 74 N CB 0.180 38.673 38.487 0.009 0.000 0.982 74 N HN 0.161 nan 8.380 nan 0.000 0.493 75 N N 0.476 119.280 118.700 0.173 0.000 2.751 75 N HA 0.163 4.904 4.740 0.000 0.000 0.238 75 N C -2.311 173.272 175.510 0.122 0.000 1.351 75 N CA -0.740 52.381 53.050 0.118 0.000 0.751 75 N CB 2.297 40.849 38.487 0.108 0.000 1.342 75 N HN -0.113 nan 8.380 nan 0.000 0.540 76 P HA -0.064 nan 4.420 nan 0.000 0.221 76 P C 0.566 177.819 177.300 -0.078 0.000 1.145 76 P CA 1.179 64.107 63.100 -0.286 0.000 0.795 76 P CB 0.529 31.997 31.700 -0.387 0.000 0.775 77 D N -1.464 118.926 120.400 -0.017 0.000 2.346 77 D HA 0.039 4.679 4.640 0.000 0.000 0.206 77 D C 0.802 177.101 176.300 -0.001 0.000 1.001 77 D CA 0.307 54.305 54.000 -0.003 0.000 0.871 77 D CB 0.108 40.894 40.800 -0.023 0.000 0.943 77 D HN 0.215 nan 8.370 nan 0.000 0.518 78 R N 0.726 121.233 120.500 0.012 0.000 2.490 78 R HA 0.405 4.745 4.340 0.000 0.000 0.280 78 R C -0.476 175.775 176.300 -0.081 0.000 1.077 78 R CA -0.389 55.671 56.100 -0.066 0.000 1.065 78 R CB 1.130 31.431 30.300 0.001 0.000 1.003 78 R HN -0.056 nan 8.270 nan 0.000 0.470 79 L N 3.237 124.292 121.223 -0.280 0.000 2.470 79 L HA 0.374 4.714 4.340 0.000 0.000 0.268 79 L C -1.884 174.826 176.870 -0.267 0.000 0.964 79 L CA -0.594 54.127 54.840 -0.197 0.000 0.839 79 L CB 1.539 43.509 42.059 -0.148 0.000 1.276 79 L HN 0.469 nan 8.230 nan 0.000 0.403 80 Y N 5.357 125.767 120.300 0.183 0.000 2.341 80 Y HA 0.737 5.287 4.550 0.000 0.000 0.338 80 Y C -0.603 175.459 175.900 0.271 0.000 0.965 80 Y CA -0.725 57.546 58.100 0.285 0.000 1.108 80 Y CB 1.826 40.453 38.460 0.279 0.000 1.180 80 Y HN 0.400 nan 8.280 nan 0.000 0.458 81 L N 3.164 124.658 121.223 0.451 0.000 2.385 81 L HA 0.847 5.187 4.340 0.000 0.000 0.273 81 L C -0.428 176.572 176.870 0.217 0.000 0.990 81 L CA -1.242 53.747 54.840 0.247 0.000 0.821 81 L CB 2.052 44.155 42.059 0.074 0.000 1.279 81 L HN 0.718 nan 8.230 nan 0.000 0.412 82 A N 3.289 126.156 122.820 0.079 0.000 2.260 82 A HA 0.678 4.998 4.320 0.000 0.000 0.308 82 A C -0.602 176.768 177.584 -0.356 0.000 1.254 82 A CA -0.507 51.409 52.037 -0.203 0.000 0.874 82 A CB 0.684 19.621 19.000 -0.105 0.000 1.153 82 A HN 0.645 nan 8.150 nan 0.000 0.527 83 Q N 0.897 120.367 119.800 -0.551 0.000 2.353 83 Q HA 0.689 5.029 4.340 0.000 0.000 0.268 83 Q C -0.344 175.318 176.000 -0.563 0.000 1.045 83 Q CA -0.271 55.175 55.803 -0.594 0.000 0.811 83 Q CB 2.351 30.549 28.738 -0.900 0.000 1.305 83 Q HN 1.432 nan 8.270 nan 0.000 0.447 84 G N 1.414 109.932 108.800 -0.470 0.000 2.158 84 G HA2 0.009 3.969 3.960 0.000 0.000 0.238 84 G HA3 0.009 3.969 3.960 0.000 0.000 0.238 84 G C -0.154 174.510 174.900 -0.392 0.000 1.723 84 G CA -0.757 44.075 45.100 -0.446 0.000 0.911 84 G HN 0.505 nan 8.290 nan 0.000 0.741 85 R N -0.098 120.123 120.500 -0.465 0.000 2.075 85 R HA 0.119 4.459 4.340 0.000 0.000 0.226 85 R C -0.102 175.739 176.300 -0.765 0.000 1.114 85 R CA 1.129 56.783 56.100 -0.744 0.000 0.972 85 R CB 0.090 29.694 30.300 -1.161 0.000 0.869 85 R HN 0.555 nan 8.270 nan 0.000 0.437 86 Y N -1.297 118.945 120.300 -0.097 0.000 2.457 86 Y HA 0.107 4.657 4.550 0.000 0.000 0.343 86 Y C 0.974 176.830 175.900 -0.073 0.000 0.994 86 Y CA -1.303 56.760 58.100 -0.063 0.000 1.031 86 Y CB 1.553 39.989 38.460 -0.039 0.000 1.246 86 Y HN -0.275 nan 8.280 nan 0.000 0.449 87 V N -0.712 119.264 119.914 0.103 0.000 2.867 87 V HA -0.053 4.067 4.120 0.000 0.000 0.260 87 V C 1.422 177.540 176.094 0.040 0.000 1.099 87 V CA 2.162 64.484 62.300 0.038 0.000 1.122 87 V CB -0.909 30.931 31.823 0.029 0.000 0.708 87 V HN 0.986 nan 8.190 nan 0.000 0.490 88 G N -0.419 108.421 108.800 0.067 0.000 3.141 88 G HA2 0.077 4.037 3.960 0.000 0.000 0.218 88 G HA3 0.077 4.037 3.960 0.000 0.000 0.218 88 G C 0.133 175.056 174.900 0.037 0.000 1.170 88 G CA -0.166 44.958 45.100 0.041 0.000 0.769 88 G HN 0.484 nan 8.290 nan 0.000 0.546 89 D N 0.759 121.185 120.400 0.043 0.000 2.378 89 D HA 0.052 4.692 4.640 0.000 0.000 0.238 89 D C 1.819 178.106 176.300 -0.022 0.000 1.180 89 D CA -0.002 54.008 54.000 0.017 0.000 0.895 89 D CB 0.908 41.679 40.800 -0.048 0.000 1.192 89 D HN 0.520 nan 8.370 nan 0.000 0.438 90 E N 0.970 121.152 120.200 -0.030 0.000 2.204 90 E HA -0.109 4.241 4.350 0.000 0.000 0.195 90 E C 0.402 176.904 176.600 -0.163 0.000 0.990 90 E CA 0.749 57.059 56.400 -0.150 0.000 0.821 90 E CB -0.021 29.513 29.700 -0.277 0.000 0.750 90 E HN 0.543 nan 8.360 nan 0.000 0.477 91 W N -0.710 120.401 121.300 -0.314 0.000 3.066 91 W HA 0.722 5.382 4.660 0.000 0.000 0.330 91 W C -1.865 174.559 176.519 -0.159 0.000 1.253 91 W CA -1.115 56.099 57.345 -0.218 0.000 1.187 91 W CB 0.521 29.870 29.460 -0.186 0.000 1.434 91 W HN -0.079 nan 8.180 nan 0.000 0.572 92 A N 1.078 123.750 122.820 -0.248 0.000 2.430 92 A HA 1.002 5.322 4.320 0.000 0.000 0.300 92 A C -1.394 175.902 177.584 -0.480 0.000 1.124 92 A CA -0.399 51.315 52.037 -0.539 0.000 0.766 92 A CB 1.425 20.155 19.000 -0.451 0.000 1.328 92 A HN 1.644 nan 8.150 nan 0.000 0.424 93 A N -0.141 122.311 122.820 -0.614 0.000 2.454 93 A HA 0.808 5.128 4.320 0.000 0.000 0.302 93 A C -1.535 175.778 177.584 -0.450 0.000 1.079 93 A CA -0.432 51.410 52.037 -0.326 0.000 0.731 93 A CB 0.801 19.692 19.000 -0.182 0.000 1.299 93 A HN 0.724 nan 8.150 nan 0.000 0.413 94 F N 1.190 121.262 119.950 0.203 0.000 2.427 94 F HA 0.523 5.050 4.527 0.000 0.000 0.346 94 F C -0.684 175.445 175.800 0.549 0.000 1.120 94 F CA -0.151 58.050 58.000 0.334 0.000 1.033 94 F CB 1.283 40.567 39.000 0.472 0.000 1.126 94 F HN 0.411 nan 8.300 nan 0.000 0.462 95 Y N 2.776 123.277 120.300 0.335 0.000 2.335 95 Y HA 0.572 5.123 4.550 0.000 0.000 0.339 95 Y C -0.206 175.983 175.900 0.482 0.000 0.987 95 Y CA -1.542 56.700 58.100 0.237 0.000 1.140 95 Y CB 1.381 39.700 38.460 -0.235 0.000 1.173 95 Y HN 0.177 nan 8.280 nan 0.000 0.486 96 V N 2.880 123.169 119.914 0.626 0.000 2.487 96 V HA 0.535 4.655 4.120 0.000 0.000 0.298 96 V C -0.252 175.963 176.094 0.202 0.000 1.028 96 V CA -0.703 61.834 62.300 0.395 0.000 0.860 96 V CB 1.833 33.929 31.823 0.455 0.000 0.991 96 V HN 0.728 nan 8.190 nan 0.000 0.427 97 S N 2.079 117.744 115.700 -0.058 0.000 2.542 97 S HA 0.531 5.001 4.470 0.000 0.000 0.293 97 S C 0.278 174.745 174.600 -0.222 0.000 1.089 97 S CA -0.561 57.489 58.200 -0.249 0.000 0.961 97 S CB 1.875 64.741 63.200 -0.557 0.000 1.062 97 S HN 0.763 nan 8.310 nan 0.000 0.483 98 E N 1.653 121.752 120.200 -0.168 0.000 2.481 98 E HA 0.113 4.463 4.350 0.000 0.000 0.198 98 E C -0.454 176.087 176.600 -0.099 0.000 1.027 98 E CA 0.289 56.623 56.400 -0.110 0.000 0.900 98 E CB 0.290 29.947 29.700 -0.071 0.000 0.993 98 E HN 0.726 nan 8.360 nan 0.000 0.482 99 D N -0.821 119.498 120.400 -0.135 0.000 2.940 99 D HA 0.128 4.768 4.640 0.000 0.000 0.366 99 D C -0.088 176.164 176.300 -0.080 0.000 1.446 99 D CA -0.561 53.379 54.000 -0.100 0.000 0.780 99 D CB -0.237 40.500 40.800 -0.104 0.000 1.206 99 D HN -0.149 nan 8.370 nan 0.000 0.454 100 R N 0.009 120.490 120.500 -0.031 0.000 3.770 100 R HA -0.113 4.227 4.340 0.000 0.000 0.305 100 R C 1.063 177.415 176.300 0.086 0.000 1.184 100 R CA 0.637 56.808 56.100 0.118 0.000 0.823 100 R CB -2.228 28.150 30.300 0.131 0.000 1.285 100 R HN 0.714 nan 8.270 nan 0.000 0.499 101 G N -0.516 108.152 108.800 -0.220 0.000 2.143 101 G HA2 -0.350 3.610 3.960 0.000 0.000 0.249 101 G HA3 -0.350 3.610 3.960 0.000 0.000 0.249 101 G C 0.733 175.439 174.900 -0.322 0.000 0.981 101 G CA 0.458 45.253 45.100 -0.509 0.000 0.665 101 G HN 0.334 nan 8.290 nan 0.000 0.528 102 Q N 0.052 119.724 119.800 -0.214 0.000 2.119 102 Q HA 0.057 4.397 4.340 0.000 0.000 0.201 102 Q C 1.656 177.566 176.000 -0.149 0.000 0.972 102 Q CA 1.773 57.509 55.803 -0.112 0.000 0.847 102 Q CB -0.023 28.668 28.738 -0.079 0.000 0.903 102 Q HN 1.203 nan 8.270 nan 0.000 0.433 103 S N -1.496 114.020 115.700 -0.307 0.000 2.556 103 S HA 0.695 5.165 4.470 0.000 0.000 0.271 103 S C -0.965 173.376 174.600 -0.432 0.000 1.135 103 S CA -0.899 57.147 58.200 -0.258 0.000 0.858 103 S CB 1.341 64.447 63.200 -0.158 0.000 1.114 103 S HN 0.016 nan 8.310 nan 0.000 0.468 104 F N 0.487 120.329 119.950 -0.180 0.000 2.576 104 F HA 0.621 5.148 4.527 0.000 0.000 0.313 104 F C 0.406 176.050 175.800 -0.260 0.000 1.078 104 F CA -0.458 57.427 58.000 -0.191 0.000 0.921 104 F CB 2.698 41.539 39.000 -0.265 0.000 1.232 104 F HN 0.617 nan 8.300 nan 0.000 0.459 105 T N 3.768 118.330 114.554 0.013 0.000 2.867 105 T HA 0.646 4.996 4.350 0.000 0.000 0.282 105 T C -0.310 174.257 174.700 -0.223 0.000 1.000 105 T CA -0.417 61.581 62.100 -0.169 0.000 1.042 105 T CB 0.914 69.664 68.868 -0.197 0.000 0.973 105 T HN 0.280 nan 8.240 nan 0.000 0.465 106 I N 3.046 123.406 120.570 -0.350 0.000 2.378 106 I HA 0.411 4.581 4.170 0.000 0.000 0.291 106 I C -1.027 174.945 176.117 -0.240 0.000 0.992 106 I CA -0.917 60.289 61.300 -0.158 0.000 1.154 106 I CB 1.030 38.989 38.000 -0.067 0.000 1.315 106 I HN 0.579 nan 8.210 nan 0.000 0.448 107 Y N 3.401 123.912 120.300 0.351 0.000 2.446 107 Y HA 0.346 4.897 4.550 0.000 0.000 0.338 107 Y C 0.309 176.447 175.900 0.397 0.000 1.055 107 Y CA -0.956 57.346 58.100 0.337 0.000 1.101 107 Y CB 1.247 39.930 38.460 0.370 0.000 1.221 107 Y HN 0.480 nan 8.280 nan 0.000 0.460 108 E N 1.414 121.899 120.200 0.475 0.000 2.257 108 E HA 0.154 4.504 4.350 0.000 0.000 0.278 108 E C -0.345 176.418 176.600 0.271 0.000 1.049 108 E CA -0.222 56.431 56.400 0.422 0.000 0.876 108 E CB 0.691 30.559 29.700 0.280 0.000 1.035 108 E HN 0.590 nan 8.360 nan 0.000 0.419 109 S N 4.939 120.671 115.700 0.053 0.000 2.549 109 S HA 0.109 4.579 4.470 0.000 0.000 0.283 109 S C -1.446 172.899 174.600 -0.426 0.000 1.320 109 S CA -1.291 56.698 58.200 -0.352 0.000 1.058 109 S CB 0.804 63.501 63.200 -0.839 0.000 0.882 109 S HN 0.532 nan 8.310 nan 0.000 0.498 110 P HA 0.145 nan 4.420 nan 0.000 0.241 110 P C -0.384 176.607 177.300 -0.515 0.000 1.191 110 P CA 0.398 63.232 63.100 -0.442 0.000 0.771 110 P CB -0.293 31.222 31.700 -0.308 0.000 0.929 111 F N -2.324 117.370 119.950 -0.428 0.000 2.599 111 F HA 0.783 5.310 4.527 0.000 0.000 0.311 111 F C -3.055 172.564 175.800 -0.300 0.000 1.076 111 F CA -4.009 53.745 58.000 -0.410 0.000 0.937 111 F CB -0.428 38.181 39.000 -0.651 0.000 1.282 111 F HN -0.421 nan 8.300 nan 0.000 0.460 112 P HA 0.327 nan 4.420 nan 0.000 0.270 112 P C -0.901 176.382 177.300 -0.028 0.000 1.223 112 P CA -0.036 63.047 63.100 -0.028 0.000 0.785 112 P CB 0.628 32.328 31.700 -0.001 0.000 0.923 113 M N 0.419 119.948 119.600 -0.117 0.000 2.690 113 M HA 0.616 5.096 4.480 0.000 0.000 0.302 113 M C 0.173 176.393 176.300 -0.133 0.000 1.234 113 M CA -0.345 54.872 55.300 -0.138 0.000 0.853 113 M CB 2.701 35.156 32.600 -0.242 0.000 1.748 113 M HN 0.387 nan 8.290 nan 0.000 0.469 114 G N -0.043 108.681 108.800 -0.126 0.000 4.566 114 G HA2 0.514 4.475 3.960 0.000 0.000 0.276 114 G HA3 0.514 4.475 3.960 0.000 0.000 0.276 114 G C 0.465 175.279 174.900 -0.144 0.000 1.248 114 G CA 0.022 45.053 45.100 -0.115 0.000 0.858 114 G HN 0.900 nan 8.290 nan 0.000 0.549 115 A N 1.166 123.858 122.820 -0.212 0.000 2.032 115 A HA -0.127 4.193 4.320 0.000 0.000 0.221 115 A C 1.782 179.270 177.584 -0.159 0.000 1.165 115 A CA 1.797 53.717 52.037 -0.195 0.000 0.645 115 A CB -0.001 18.856 19.000 -0.239 0.000 0.807 115 A HN 0.471 nan 8.150 nan 0.000 0.453 116 N N -0.260 118.309 118.700 -0.219 0.000 2.282 116 N HA 0.122 4.862 4.740 0.000 0.000 0.240 116 N C -0.886 174.675 175.510 0.085 0.000 1.182 116 N CA -0.241 52.755 53.050 -0.090 0.000 0.874 116 N CB 0.155 38.513 38.487 -0.215 0.000 1.126 116 N HN 0.267 nan 8.380 nan 0.000 0.516 117 D N -0.173 120.254 120.400 0.045 0.000 2.466 117 D HA 0.194 4.834 4.640 0.000 0.000 0.262 117 D C 0.779 177.090 176.300 0.019 0.000 1.177 117 D CA -0.267 53.786 54.000 0.089 0.000 1.035 117 D CB 0.689 41.522 40.800 0.055 0.000 1.105 117 D HN 0.005 nan 8.370 nan 0.000 0.551 118 M N -0.148 119.428 119.600 -0.040 0.000 2.252 118 M HA 0.189 4.669 4.480 0.000 0.000 0.333 118 M C 1.326 177.514 176.300 -0.186 0.000 1.111 118 M CA 0.358 55.555 55.300 -0.173 0.000 1.140 118 M CB -0.210 32.218 32.600 -0.287 0.000 1.538 118 M HN 0.733 nan 8.290 nan 0.000 0.448 119 G N 2.403 111.062 108.800 -0.235 0.000 2.155 119 G HA2 -0.336 3.624 3.960 0.000 0.000 0.257 119 G HA3 -0.336 3.624 3.960 0.000 0.000 0.257 119 G C 1.003 175.833 174.900 -0.117 0.000 0.983 119 G CA 0.806 45.789 45.100 -0.195 0.000 0.676 119 G HN 0.867 nan 8.290 nan 0.000 0.528 120 R N 0.748 121.200 120.500 -0.081 0.000 2.193 120 R HA -0.087 4.253 4.340 0.000 0.000 0.229 120 R C 2.122 178.392 176.300 -0.051 0.000 1.110 120 R CA 1.441 57.509 56.100 -0.053 0.000 0.988 120 R CB -0.689 29.600 30.300 -0.019 0.000 0.871 120 R HN 0.555 nan 8.270 nan 0.000 0.458 121 N N 1.057 119.745 118.700 -0.020 0.000 2.364 121 N HA -0.118 4.622 4.740 0.000 0.000 0.183 121 N C -0.312 175.189 175.510 -0.015 0.000 1.022 121 N CA 0.690 53.747 53.050 0.012 0.000 0.883 121 N CB -0.476 38.026 38.487 0.026 0.000 0.965 121 N HN 0.227 nan 8.380 nan 0.000 0.438 122 N N 0.377 119.053 118.700 -0.040 0.000 2.509 122 N HA 0.580 5.320 4.740 0.000 0.000 0.287 122 N C 0.433 175.935 175.510 -0.015 0.000 1.121 122 N CA 0.073 53.105 53.050 -0.030 0.000 0.977 122 N CB 1.761 40.214 38.487 -0.057 0.000 1.167 122 N HN 0.395 nan 8.380 nan 0.000 0.476 123 G N -0.025 108.781 108.800 0.010 0.000 2.368 123 G HA2 0.186 4.147 3.960 0.000 0.000 0.293 123 G HA3 0.186 4.147 3.960 0.000 0.000 0.293 123 G C -1.703 173.233 174.900 0.060 0.000 1.467 123 G CA -0.593 44.529 45.100 0.036 0.000 0.804 123 G HN 0.262 nan 8.290 nan 0.000 0.535 124 E N 0.029 120.282 120.200 0.088 0.000 2.216 124 E HA 0.353 4.703 4.350 0.000 0.000 0.279 124 E C 0.901 177.575 176.600 0.124 0.000 0.997 124 E CA -0.630 55.833 56.400 0.105 0.000 0.817 124 E CB 2.284 32.064 29.700 0.134 0.000 1.096 124 E HN 0.563 nan 8.360 nan 0.000 0.393 125 R N 0.847 121.421 120.500 0.123 0.000 2.193 125 R HA 0.041 4.381 4.340 0.000 0.000 0.213 125 R C 0.541 176.971 176.300 0.216 0.000 1.055 125 R CA 0.266 56.455 56.100 0.148 0.000 0.995 125 R CB 0.093 30.460 30.300 0.111 0.000 0.893 125 R HN 0.174 nan 8.270 nan 0.000 0.459 126 L N 0.473 121.839 121.223 0.239 0.000 2.295 126 L HA 0.557 4.898 4.340 0.000 0.000 0.285 126 L C -1.099 175.956 176.870 0.309 0.000 1.035 126 L CA -0.445 54.585 54.840 0.316 0.000 0.806 126 L CB 1.656 43.922 42.059 0.345 0.000 1.214 126 L HN -0.007 nan 8.230 nan 0.000 0.426 127 A N 4.472 127.517 122.820 0.374 0.000 2.488 127 A HA 0.710 5.031 4.320 0.000 0.000 0.298 127 A C -1.488 176.322 177.584 0.376 0.000 1.044 127 A CA -0.587 51.684 52.037 0.390 0.000 0.693 127 A CB 1.467 20.746 19.000 0.465 0.000 1.272 127 A HN 0.409 nan 8.150 nan 0.000 0.402 128 V N 2.488 122.497 119.914 0.157 0.000 2.509 128 V HA 0.232 4.352 4.120 0.000 0.000 0.284 128 V C 0.588 176.425 176.094 -0.429 0.000 1.047 128 V CA -0.840 61.424 62.300 -0.059 0.000 0.952 128 V CB 1.395 33.188 31.823 -0.051 0.000 0.988 128 V HN 0.888 nan 8.190 nan 0.000 0.469 129 N N 6.867 125.167 118.700 -0.666 0.000 2.438 129 N HA 0.116 4.856 4.740 0.000 0.000 0.267 129 N C -1.640 173.539 175.510 -0.552 0.000 1.222 129 N CA -1.654 50.695 53.050 -1.169 0.000 0.930 129 N CB 1.405 39.562 38.487 -0.550 0.000 1.083 129 N HN 0.307 nan 8.380 nan 0.000 0.476 130 P HA 0.024 nan 4.420 nan 0.000 0.237 130 P C 0.214 177.195 177.300 -0.532 0.000 1.178 130 P CA 0.926 63.781 63.100 -0.408 0.000 0.766 130 P CB 0.014 31.470 31.700 -0.407 0.000 0.876 131 F N -1.469 118.395 119.950 -0.144 0.000 2.704 131 F HA 0.272 4.799 4.527 0.000 0.000 0.304 131 F C 0.855 176.621 175.800 -0.056 0.000 1.094 131 F CA 0.032 57.992 58.000 -0.067 0.000 1.275 131 F CB 0.175 39.154 39.000 -0.035 0.000 1.073 131 F HN -0.142 nan 8.300 nan 0.000 0.586 132 N N -0.338 118.378 118.700 0.027 0.000 2.653 132 N HA 0.020 4.761 4.740 0.000 0.000 0.261 132 N C 0.649 176.140 175.510 -0.032 0.000 1.216 132 N CA 0.244 53.304 53.050 0.016 0.000 0.784 132 N CB 0.860 39.381 38.487 0.058 0.000 1.327 132 N HN -0.032 nan 8.380 nan 0.000 0.539 133 S N 1.745 117.430 115.700 -0.025 0.000 2.462 133 S HA -0.102 4.368 4.470 0.000 0.000 0.243 133 S C 1.174 175.775 174.600 0.001 0.000 1.003 133 S CA 0.762 58.959 58.200 -0.007 0.000 0.970 133 S CB -0.044 63.172 63.200 0.026 0.000 0.762 133 S HN 0.448 nan 8.310 nan 0.000 0.510 134 N N 1.353 120.045 118.700 -0.013 0.000 2.446 134 N HA 0.103 4.843 4.740 0.000 0.000 0.179 134 N C 0.219 175.671 175.510 -0.097 0.000 1.054 134 N CA 0.456 53.483 53.050 -0.039 0.000 0.905 134 N CB -0.043 38.422 38.487 -0.036 0.000 0.973 134 N HN 0.669 nan 8.380 nan 0.000 0.448 135 E N 0.706 120.867 120.200 -0.065 0.000 2.146 135 E HA 0.346 4.696 4.350 0.000 0.000 0.282 135 E C -1.117 175.474 176.600 -0.014 0.000 0.989 135 E CA -0.325 56.055 56.400 -0.034 0.000 0.799 135 E CB 1.281 31.061 29.700 0.133 0.000 1.088 135 E HN -0.228 nan 8.360 nan 0.000 0.397 136 V N 4.514 124.364 119.914 -0.108 0.000 2.588 136 V HA 0.399 4.519 4.120 0.000 0.000 0.304 136 V C -1.021 175.210 176.094 0.229 0.000 1.042 136 V CA -0.916 61.374 62.300 -0.016 0.000 0.877 136 V CB 1.076 32.680 31.823 -0.365 0.000 0.996 136 V HN 0.653 nan 8.190 nan 0.000 0.425 137 W N 4.143 125.625 121.300 0.303 0.000 2.639 137 W HA 0.851 5.511 4.660 0.000 0.000 0.347 137 W C -0.173 176.616 176.519 0.450 0.000 1.067 137 W CA -0.892 56.716 57.345 0.438 0.000 1.218 137 W CB 1.863 31.547 29.460 0.373 0.000 1.393 137 W HN 0.470 nan 8.180 nan 0.000 0.557 138 M N 2.274 122.246 119.600 0.620 0.000 2.165 138 M HA 0.564 5.044 4.480 0.000 0.000 0.283 138 M C -0.237 176.168 176.300 0.174 0.000 0.978 138 M CA -0.311 55.190 55.300 0.335 0.000 0.948 138 M CB 1.277 33.967 32.600 0.151 0.000 1.599 138 M HN 0.459 nan 8.290 nan 0.000 0.450 139 G N 3.031 111.927 108.800 0.161 0.000 2.354 139 G HA2 0.466 4.426 3.960 0.000 0.000 0.266 139 G HA3 0.466 4.426 3.960 0.000 0.000 0.266 139 G C -0.060 174.853 174.900 0.023 0.000 1.242 139 G CA 0.134 45.302 45.100 0.114 0.000 0.923 139 G HN 0.842 nan 8.290 nan 0.000 0.476 140 T N -0.085 114.438 114.554 -0.050 0.000 2.948 140 T HA 0.422 4.772 4.350 0.000 0.000 0.285 140 T C 1.279 175.960 174.700 -0.033 0.000 1.019 140 T CA -0.869 61.125 62.100 -0.177 0.000 1.013 140 T CB 2.130 70.651 68.868 -0.579 0.000 1.117 140 T HN 0.394 nan 8.240 nan 0.000 0.533 141 R N -0.278 120.190 120.500 -0.053 0.000 2.127 141 R HA 0.102 4.442 4.340 0.000 0.000 0.217 141 R C 1.712 178.019 176.300 0.011 0.000 1.074 141 R CA 1.398 57.487 56.100 -0.017 0.000 0.991 141 R CB -0.031 30.252 30.300 -0.027 0.000 0.895 141 R HN 0.908 nan 8.270 nan 0.000 0.450 142 T N -4.185 110.376 114.554 0.011 0.000 3.130 142 T HA 0.241 4.591 4.350 0.000 0.000 0.288 142 T C 0.583 175.327 174.700 0.073 0.000 0.936 142 T CA -0.412 61.713 62.100 0.041 0.000 0.897 142 T CB 0.599 69.490 68.868 0.038 0.000 1.178 142 T HN 0.026 nan 8.240 nan 0.000 0.543 143 E N 0.749 120.994 120.200 0.076 0.000 2.945 143 E HA 0.461 4.812 4.350 0.000 0.000 0.196 143 E C 0.969 177.748 176.600 0.298 0.000 0.965 143 E CA -0.187 56.337 56.400 0.207 0.000 1.270 143 E CB 0.986 30.851 29.700 0.274 0.000 1.045 143 E HN 0.575 nan 8.360 nan 0.000 0.474 144 G N 1.610 110.514 108.800 0.173 0.000 2.509 144 G HA2 -0.295 3.665 3.960 0.000 0.000 0.259 144 G HA3 -0.295 3.665 3.960 0.000 0.000 0.259 144 G C -0.247 174.689 174.900 0.060 0.000 1.169 144 G CA -0.181 44.990 45.100 0.118 0.000 0.953 144 G HN 0.148 nan 8.290 nan 0.000 0.563 145 I N -0.287 120.230 120.570 -0.087 0.000 2.498 145 I HA 0.632 4.802 4.170 0.000 0.000 0.290 145 I C -0.815 175.314 176.117 0.020 0.000 1.032 145 I CA -0.549 60.717 61.300 -0.057 0.000 1.073 145 I CB 1.884 39.715 38.000 -0.282 0.000 1.251 145 I HN 0.501 nan 8.210 nan 0.000 0.426 146 W N 4.783 126.012 121.300 -0.117 0.000 2.781 146 W HA 0.630 5.290 4.660 0.000 0.000 0.345 146 W C -0.388 176.182 176.519 0.084 0.000 1.085 146 W CA -0.807 56.549 57.345 0.018 0.000 1.198 146 W CB 1.403 30.949 29.460 0.143 0.000 1.423 146 W HN 0.187 nan 8.180 nan 0.000 0.532 147 K N 1.330 121.798 120.400 0.113 0.000 2.397 147 K HA 0.603 4.923 4.320 0.000 0.000 0.253 147 K C -0.885 175.516 176.600 -0.332 0.000 0.932 147 K CA -0.445 55.574 56.287 -0.447 0.000 0.795 147 K CB 1.987 33.794 32.500 -1.156 0.000 1.159 147 K HN 0.352 nan 8.250 nan 0.000 0.424 148 S N 1.871 117.105 115.700 -0.777 0.000 2.475 148 S HA 0.285 4.755 4.470 0.000 0.000 0.298 148 S C -0.004 174.264 174.600 -0.553 0.000 1.119 148 S CA -0.525 57.087 58.200 -0.981 0.000 1.085 148 S CB 1.461 63.538 63.200 -1.873 0.000 1.028 148 S HN 0.625 nan 8.310 nan 0.000 0.489 149 S N 2.252 117.717 115.700 -0.393 0.000 2.557 149 S HA 0.145 4.615 4.470 0.000 0.000 0.223 149 S C -0.223 174.251 174.600 -0.209 0.000 0.969 149 S CA -0.273 57.785 58.200 -0.235 0.000 0.927 149 S CB -0.032 63.074 63.200 -0.157 0.000 0.806 149 S HN 0.867 nan 8.310 nan 0.000 0.489 150 D N 0.360 120.587 120.400 -0.289 0.000 2.837 150 D HA 0.143 4.783 4.640 0.000 0.000 0.340 150 D C -0.117 176.043 176.300 -0.234 0.000 1.451 150 D CA -0.545 53.325 54.000 -0.216 0.000 0.798 150 D CB -0.525 40.158 40.800 -0.195 0.000 1.169 150 D HN 0.012 nan 8.370 nan 0.000 0.449 151 R N 0.430 120.786 120.500 -0.241 0.000 3.332 151 R HA -0.083 4.257 4.340 0.000 0.000 0.263 151 R C 0.626 176.850 176.300 -0.126 0.000 1.053 151 R CA 0.516 56.557 56.100 -0.099 0.000 0.705 151 R CB -2.423 27.948 30.300 0.118 0.000 1.166 151 R HN 0.703 nan 8.270 nan 0.000 0.427 152 A N -1.255 121.259 122.820 -0.510 0.000 3.201 152 A HA -0.346 3.975 4.320 0.000 0.000 0.260 152 A C 1.419 178.652 177.584 -0.585 0.000 1.222 152 A CA 2.146 53.825 52.037 -0.597 0.000 1.124 152 A CB -1.279 17.704 19.000 -0.028 0.000 1.155 152 A HN 0.661 nan 8.150 nan 0.000 0.924 153 K N 0.232 120.176 120.400 -0.761 0.000 2.007 153 K HA 0.046 4.366 4.320 0.000 0.000 0.206 153 K C 0.957 177.262 176.600 -0.493 0.000 1.047 153 K CA 1.976 57.638 56.287 -1.041 0.000 0.937 153 K CB -0.115 31.931 32.500 -0.757 0.000 0.718 153 K HN 1.001 nan 8.250 nan 0.000 0.438 154 T N -2.636 111.663 114.554 -0.425 0.000 2.924 154 T HA 0.551 4.902 4.350 0.000 0.000 0.291 154 T C -1.242 173.241 174.700 -0.360 0.000 1.045 154 T CA -0.949 61.045 62.100 -0.176 0.000 1.015 154 T CB 1.097 69.921 68.868 -0.073 0.000 1.103 154 T HN 0.271 nan 8.240 nan 0.000 0.496 155 W N 0.236 121.579 121.300 0.071 0.000 3.032 155 W HA 0.643 5.303 4.660 0.000 0.000 0.335 155 W C -0.254 176.483 176.519 0.364 0.000 1.154 155 W CA -0.599 56.878 57.345 0.221 0.000 1.204 155 W CB 2.343 32.021 29.460 0.363 0.000 1.416 155 W HN 0.957 nan 8.180 nan 0.000 0.521 156 T N 1.592 116.429 114.554 0.472 0.000 2.900 156 T HA 0.371 4.721 4.350 0.000 0.000 0.295 156 T C -1.017 173.530 174.700 -0.255 0.000 1.044 156 T CA -0.705 61.472 62.100 0.128 0.000 0.995 156 T CB 1.180 70.036 68.868 -0.021 0.000 1.072 156 T HN 0.312 nan 8.240 nan 0.000 0.473 157 N N 2.960 121.133 118.700 -0.879 0.000 2.458 157 N HA 0.205 4.945 4.740 0.000 0.000 0.270 157 N C -0.299 174.832 175.510 -0.633 0.000 1.102 157 N CA -0.351 51.886 53.050 -1.355 0.000 0.967 157 N CB 0.915 38.480 38.487 -1.536 0.000 1.078 157 N HN 0.485 nan 8.380 nan 0.000 0.471 158 V N 3.999 123.615 119.914 -0.497 0.000 2.229 158 V HA 0.022 4.142 4.120 0.000 0.000 0.245 158 V C 1.662 177.623 176.094 -0.222 0.000 1.243 158 V CA 0.019 62.181 62.300 -0.231 0.000 1.176 158 V CB -0.770 31.015 31.823 -0.064 0.000 1.323 158 V HN 0.858 nan 8.190 nan 0.000 0.499 159 T N -1.128 113.305 114.554 -0.202 0.000 3.160 159 T HA -0.096 4.254 4.350 0.000 0.000 0.257 159 T C 1.728 176.368 174.700 -0.101 0.000 1.147 159 T CA 0.806 62.803 62.100 -0.173 0.000 1.064 159 T CB -0.119 68.654 68.868 -0.157 0.000 0.949 159 T HN 0.681 nan 8.240 nan 0.000 0.526 160 S N 0.211 115.903 115.700 -0.013 0.000 2.603 160 S HA 0.199 4.669 4.470 0.000 0.000 0.220 160 S C 0.534 175.163 174.600 0.047 0.000 0.967 160 S CA -0.658 57.594 58.200 0.087 0.000 0.920 160 S CB -0.804 62.531 63.200 0.226 0.000 0.773 160 S HN 0.486 nan 8.310 nan 0.000 0.529 161 I N 3.458 123.861 120.570 -0.278 0.000 2.517 161 I HA 0.277 4.447 4.170 0.000 0.000 0.285 161 I C -1.713 174.134 176.117 -0.449 0.000 1.106 161 I CA -2.144 58.745 61.300 -0.684 0.000 1.402 161 I CB 1.086 38.520 38.000 -0.945 0.000 1.399 161 I HN -0.040 nan 8.210 nan 0.000 0.535 162 P HA -0.072 nan 4.420 nan 0.000 0.217 162 P C -0.547 176.564 177.300 -0.316 0.000 1.150 162 P CA 1.149 64.077 63.100 -0.286 0.000 0.832 162 P CB 0.157 31.771 31.700 -0.144 0.000 0.787 163 D N -1.876 118.234 120.400 -0.483 0.000 2.696 163 D HA 0.392 5.033 4.640 0.000 0.000 0.251 163 D C 0.212 176.252 176.300 -0.434 0.000 1.188 163 D CA -0.650 53.026 54.000 -0.540 0.000 0.876 163 D CB 1.614 41.925 40.800 -0.815 0.000 1.334 163 D HN -0.149 nan 8.370 nan 0.000 0.540 164 A N 3.320 125.974 122.820 -0.277 0.000 2.169 164 A HA 0.125 4.445 4.320 0.000 0.000 0.212 164 A C 0.669 178.366 177.584 0.189 0.000 1.153 164 A CA -0.093 51.955 52.037 0.018 0.000 0.756 164 A CB -0.682 18.295 19.000 -0.039 0.000 0.813 164 A HN 0.618 nan 8.150 nan 0.000 0.471 165 F N 0.746 120.707 119.950 0.017 0.000 2.829 165 F HA -0.192 4.335 4.527 0.001 0.000 0.237 165 F C 1.050 176.835 175.800 -0.026 0.000 1.017 165 F CA 1.043 59.008 58.000 -0.058 0.000 0.882 165 F CB -2.377 36.491 39.000 -0.221 0.000 0.795 165 F HN 0.297 nan 8.300 nan 0.000 0.848 166 T N -1.978 112.634 114.554 0.097 0.000 4.098 166 T HA 0.345 4.695 4.350 0.000 0.000 0.291 166 T C 0.791 175.526 174.700 0.058 0.000 1.440 166 T CA -0.006 62.140 62.100 0.077 0.000 1.164 166 T CB -0.223 68.679 68.868 0.057 0.000 1.313 166 T HN 0.485 nan 8.240 nan 0.000 0.951 167 N N 0.341 119.075 118.700 0.058 0.000 2.197 167 N HA 0.327 5.067 4.740 0.000 0.000 0.228 167 N C 1.386 176.900 175.510 0.007 0.000 1.212 167 N CA -0.097 52.974 53.050 0.035 0.000 0.883 167 N CB 0.295 38.809 38.487 0.046 0.000 1.107 167 N HN 0.612 nan 8.380 nan 0.000 0.519 168 G N 0.203 109.006 108.800 0.006 0.000 2.217 168 G HA2 -0.264 3.696 3.960 0.000 0.000 0.246 168 G HA3 -0.264 3.696 3.960 0.000 0.000 0.246 168 G C 0.607 175.483 174.900 -0.041 0.000 0.990 168 G CA 0.591 45.684 45.100 -0.011 0.000 0.627 168 G HN 0.239 nan 8.290 nan 0.000 0.522 169 I N 0.768 121.302 120.570 -0.060 0.000 2.947 169 I HA 0.336 4.506 4.170 0.000 0.000 0.263 169 I C 2.321 178.388 176.117 -0.083 0.000 1.130 169 I CA 1.838 63.077 61.300 -0.100 0.000 1.448 169 I CB -1.635 36.270 38.000 -0.158 0.000 1.222 169 I HN 1.139 nan 8.210 nan 0.000 0.453 170 G N 1.071 109.833 108.800 -0.064 0.000 2.574 170 G HA2 -0.330 3.630 3.960 0.000 0.000 0.282 170 G HA3 -0.330 3.630 3.960 0.000 0.000 0.282 170 G C -0.438 174.365 174.900 -0.162 0.000 1.257 170 G CA 0.010 45.093 45.100 -0.030 0.000 0.956 170 G HN 0.283 nan 8.290 nan 0.000 0.560 171 Y N 1.797 122.080 120.300 -0.029 0.000 2.452 171 Y HA 0.426 4.976 4.550 0.000 0.000 0.348 171 Y C 1.934 177.813 175.900 -0.036 0.000 0.985 171 Y CA 0.649 58.726 58.100 -0.038 0.000 1.214 171 Y CB 1.322 39.775 38.460 -0.012 0.000 1.136 171 Y HN 0.661 nan 8.280 nan 0.000 0.523 172 T N -2.095 112.477 114.554 0.030 0.000 3.060 172 T HA 0.135 4.485 4.350 0.000 0.000 0.249 172 T C 0.382 175.115 174.700 0.056 0.000 1.079 172 T CA 0.096 62.202 62.100 0.011 0.000 1.013 172 T CB 0.195 69.028 68.868 -0.058 0.000 0.975 172 T HN 0.391 nan 8.240 nan 0.000 0.518 173 S N 0.434 116.198 115.700 0.107 0.000 2.626 173 S HA 0.569 5.039 4.470 0.000 0.000 0.275 173 S C -1.598 173.092 174.600 0.151 0.000 1.175 173 S CA -0.605 57.662 58.200 0.112 0.000 0.982 173 S CB 1.559 64.804 63.200 0.076 0.000 1.093 173 S HN 0.144 nan 8.310 nan 0.000 0.472 174 V N 6.163 126.158 119.914 0.136 0.000 2.483 174 V HA 0.637 4.757 4.120 0.000 0.000 0.297 174 V C -0.680 175.453 176.094 0.064 0.000 1.027 174 V CA -0.474 61.877 62.300 0.087 0.000 0.855 174 V CB 1.368 33.259 31.823 0.113 0.000 0.995 174 V HN 0.880 nan 8.190 nan 0.000 0.424 175 I N 4.813 125.386 120.570 0.005 0.000 2.512 175 I HA 0.478 4.648 4.170 0.000 0.000 0.287 175 I C -0.921 175.192 176.117 -0.008 0.000 1.069 175 I CA -0.251 61.092 61.300 0.072 0.000 1.056 175 I CB 2.029 40.099 38.000 0.117 0.000 1.229 175 I HN 0.373 nan 8.210 nan 0.000 0.429 176 F N 3.455 123.448 119.950 0.071 0.000 2.375 176 F HA 0.236 4.763 4.527 0.000 0.000 0.333 176 F C 0.826 176.700 175.800 0.124 0.000 1.104 176 F CA -0.235 57.800 58.000 0.058 0.000 1.149 176 F CB 0.667 39.688 39.000 0.035 0.000 1.190 176 F HN 0.385 nan 8.300 nan 0.000 0.533 177 D N 4.791 125.392 120.400 0.336 0.000 2.325 177 D HA 0.120 4.760 4.640 0.000 0.000 0.251 177 D C -1.700 174.815 176.300 0.358 0.000 1.196 177 D CA -2.140 52.035 54.000 0.291 0.000 0.866 177 D CB 1.301 42.246 40.800 0.242 0.000 1.101 177 D HN 0.164 nan 8.370 nan 0.000 0.476 178 P HA 0.011 nan 4.420 nan 0.000 0.242 178 P C 0.521 177.995 177.300 0.291 0.000 1.197 178 P CA 0.500 63.722 63.100 0.203 0.000 0.765 178 P CB 0.607 32.350 31.700 0.071 0.000 0.936 179 E N -0.961 119.428 120.200 0.314 0.000 2.447 179 E HA 0.168 4.519 4.350 0.000 0.000 0.204 179 E C 0.720 177.462 176.600 0.237 0.000 0.977 179 E CA 0.029 56.593 56.400 0.273 0.000 0.950 179 E CB 0.473 30.256 29.700 0.137 0.000 0.975 179 E HN -0.079 nan 8.360 nan 0.000 0.496 180 R N 1.413 122.018 120.500 0.176 0.000 2.467 180 R HA 0.224 4.564 4.340 0.000 0.000 0.299 180 R C -1.075 175.043 176.300 -0.302 0.000 1.120 180 R CA -0.614 55.447 56.100 -0.065 0.000 0.940 180 R CB 0.615 30.916 30.300 0.002 0.000 1.161 180 R HN 0.032 nan 8.270 nan 0.000 0.506 181 N N 1.201 119.359 118.700 -0.904 0.000 2.357 181 N HA -0.042 4.698 4.740 0.000 0.000 0.257 181 N C 1.032 176.318 175.510 -0.373 0.000 1.250 181 N CA 2.266 54.679 53.050 -1.063 0.000 0.862 181 N CB 0.787 38.604 38.487 -1.118 0.000 1.066 181 N HN 0.850 nan 8.380 nan 0.000 0.468 182 G N 1.711 110.396 108.800 -0.192 0.000 2.234 182 G HA2 -0.236 3.724 3.960 0.000 0.000 0.235 182 G HA3 -0.236 3.724 3.960 0.000 0.000 0.235 182 G C 0.078 174.881 174.900 -0.162 0.000 0.997 182 G CA 0.467 45.491 45.100 -0.127 0.000 0.623 182 G HN 0.697 nan 8.290 nan 0.000 0.514 183 T N 1.826 116.313 114.554 -0.111 0.000 2.743 183 T HA 0.650 5.001 4.350 0.000 0.000 0.293 183 T C 0.123 174.683 174.700 -0.232 0.000 0.945 183 T CA 0.229 62.221 62.100 -0.180 0.000 1.030 183 T CB 0.970 69.847 68.868 0.016 0.000 0.912 183 T HN 0.485 nan 8.240 nan 0.000 0.483 184 I N 2.575 122.846 120.570 -0.498 0.000 2.656 184 I HA 0.383 4.554 4.170 0.000 0.000 0.292 184 I C -1.340 174.533 176.117 -0.408 0.000 1.144 184 I CA -1.241 59.736 61.300 -0.539 0.000 1.038 184 I CB 2.004 39.435 38.000 -0.948 0.000 1.244 184 I HN 0.481 nan 8.210 nan 0.000 0.420 185 Y N 3.834 124.044 120.300 -0.150 0.000 2.335 185 Y HA 0.674 5.225 4.550 0.000 0.000 0.339 185 Y C 0.412 176.350 175.900 0.064 0.000 0.987 185 Y CA -0.629 57.485 58.100 0.024 0.000 1.140 185 Y CB 1.838 40.319 38.460 0.035 0.000 1.173 185 Y HN 0.627 nan 8.280 nan 0.000 0.486 186 A N 2.663 125.669 122.820 0.310 0.000 2.287 186 A HA 0.788 5.109 4.320 0.000 0.000 0.317 186 A C -0.641 177.194 177.584 0.419 0.000 1.220 186 A CA -0.573 51.599 52.037 0.227 0.000 0.835 186 A CB 0.566 19.485 19.000 -0.134 0.000 1.180 186 A HN 0.607 nan 8.150 nan 0.000 0.500 187 S N 0.876 116.810 115.700 0.389 0.000 2.532 187 S HA 0.734 5.204 4.470 0.000 0.000 0.299 187 S C -0.215 174.358 174.600 -0.045 0.000 1.105 187 S CA -0.323 57.999 58.200 0.204 0.000 1.018 187 S CB 1.755 65.014 63.200 0.098 0.000 1.021 187 S HN 1.306 nan 8.310 nan 0.000 0.483 188 A N 1.927 124.476 122.820 -0.450 0.000 2.317 188 A HA 0.657 4.977 4.320 0.000 0.000 0.327 188 A C 0.193 177.429 177.584 -0.580 0.000 1.178 188 A CA -0.691 50.852 52.037 -0.822 0.000 0.817 188 A CB 0.285 18.277 19.000 -1.681 0.000 1.189 188 A HN 0.628 nan 8.150 nan 0.000 0.489 189 T N 2.316 116.616 114.554 -0.423 0.000 3.162 189 T HA 0.492 4.843 4.350 0.000 0.000 0.264 189 T C 0.160 174.648 174.700 -0.353 0.000 0.959 189 T CA 1.108 63.023 62.100 -0.308 0.000 1.118 189 T CB -0.902 67.832 68.868 -0.222 0.000 0.979 189 T HN 1.347 nan 8.240 nan 0.000 0.679 190 A N 4.857 127.445 122.820 -0.386 0.000 2.583 190 A HA 0.669 4.990 4.320 0.000 0.000 0.292 190 A C -3.155 174.284 177.584 -0.242 0.000 1.045 190 A CA -1.753 50.075 52.037 -0.349 0.000 0.672 190 A CB 0.878 19.489 19.000 -0.648 0.000 1.283 190 A HN 0.299 nan 8.150 nan 0.000 0.419 191 P HA 0.227 nan 4.420 nan 0.000 0.264 191 P C -0.510 176.742 177.300 -0.080 0.000 1.193 191 P CA 0.845 63.887 63.100 -0.098 0.000 0.763 191 P CB 0.210 31.883 31.700 -0.045 0.000 0.810 192 Q N 1.321 121.041 119.800 -0.134 0.000 2.453 192 Q HA -0.205 4.135 4.340 0.000 0.000 0.294 192 Q C 1.123 177.090 176.000 -0.055 0.000 1.295 192 Q CA 0.729 56.463 55.803 -0.114 0.000 0.853 192 Q CB -2.318 26.363 28.738 -0.095 0.000 1.193 192 Q HN 0.785 nan 8.270 nan 0.000 0.461 193 G N -0.273 108.421 108.800 -0.176 0.000 2.848 193 G HA2 0.080 4.040 3.960 0.000 0.000 0.208 193 G HA3 0.080 4.040 3.960 0.000 0.000 0.208 193 G C 0.502 175.373 174.900 -0.049 0.000 1.152 193 G CA -0.227 44.670 45.100 -0.339 0.000 0.789 193 G HN 0.250 nan 8.290 nan 0.000 0.531 194 M N 1.050 120.631 119.600 -0.031 0.000 2.105 194 M HA 0.392 4.872 4.480 0.000 0.000 0.350 194 M C -1.160 175.116 176.300 -0.039 0.000 1.308 194 M CA -0.217 55.130 55.300 0.078 0.000 1.108 194 M CB 0.877 33.554 32.600 0.129 0.000 1.622 194 M HN 0.040 nan 8.290 nan 0.000 0.468 195 Y N 1.525 121.988 120.300 0.272 0.000 2.549 195 Y HA 0.738 5.288 4.550 0.000 0.000 0.339 195 Y C -0.309 175.761 175.900 0.283 0.000 1.053 195 Y CA -0.879 57.391 58.100 0.283 0.000 1.105 195 Y CB 1.945 40.562 38.460 0.262 0.000 1.258 195 Y HN 0.381 nan 8.280 nan 0.000 0.478 196 V N 1.140 121.261 119.914 0.345 0.000 2.841 196 V HA 0.679 4.800 4.120 0.000 0.000 0.310 196 V C -0.994 174.916 176.094 -0.308 0.000 1.090 196 V CA -0.286 61.914 62.300 -0.166 0.000 0.930 196 V CB 2.356 33.856 31.823 -0.538 0.000 1.014 196 V HN 0.851 nan 8.190 nan 0.000 0.425 197 T N 3.562 117.629 114.554 -0.812 0.000 2.907 197 T HA 0.576 4.927 4.350 0.000 0.000 0.292 197 T C -0.226 173.880 174.700 -0.990 0.000 1.043 197 T CA -0.375 61.119 62.100 -1.010 0.000 1.003 197 T CB 1.078 68.977 68.868 -1.616 0.000 1.084 197 T HN 0.835 nan 8.240 nan 0.000 0.483 198 H N 2.000 120.838 119.070 -0.387 0.000 3.058 198 H HA 0.218 4.774 4.556 0.000 0.000 0.266 198 H C -0.196 174.986 175.328 -0.243 0.000 1.135 198 H CA 0.039 55.920 56.048 -0.279 0.000 1.174 198 H CB 0.721 30.362 29.762 -0.202 0.000 1.581 198 H HN 0.668 nan 8.280 nan 0.000 0.553 199 D N -0.899 119.374 120.400 -0.211 0.000 2.804 199 D HA 0.205 4.846 4.640 0.000 0.000 0.308 199 D C 1.346 177.546 176.300 -0.166 0.000 1.371 199 D CA -0.165 53.740 54.000 -0.157 0.000 0.823 199 D CB 0.082 40.810 40.800 -0.120 0.000 1.126 199 D HN 0.197 nan 8.370 nan 0.000 0.467 200 G N -0.262 108.418 108.800 -0.200 0.000 2.179 200 G HA2 -0.023 3.937 3.960 0.000 0.000 0.257 200 G HA3 -0.023 3.937 3.960 0.000 0.000 0.257 200 G C 1.175 176.055 174.900 -0.033 0.000 1.010 200 G CA 0.355 45.408 45.100 -0.078 0.000 0.736 200 G HN 1.504 nan 8.290 nan 0.000 0.513 201 G N -2.919 105.653 108.800 -0.381 0.000 2.157 201 G HA2 -0.168 3.792 3.960 0.000 0.000 0.239 201 G HA3 -0.168 3.792 3.960 0.000 0.000 0.239 201 G C 1.311 176.123 174.900 -0.147 0.000 0.982 201 G CA 1.027 45.890 45.100 -0.394 0.000 0.650 201 G HN 1.410 nan 8.290 nan 0.000 0.527 202 V N 0.792 120.615 119.914 -0.152 0.000 2.295 202 V HA 0.101 4.221 4.120 0.000 0.000 0.246 202 V C 1.739 177.791 176.094 -0.070 0.000 1.049 202 V CA 2.563 64.829 62.300 -0.057 0.000 1.024 202 V CB -0.113 31.679 31.823 -0.052 0.000 0.648 202 V HN 1.379 nan 8.190 nan 0.000 0.447 203 S N -2.242 113.329 115.700 -0.215 0.000 2.548 203 S HA 0.607 5.077 4.470 0.000 0.000 0.286 203 S C -1.603 172.792 174.600 -0.341 0.000 1.098 203 S CA -0.822 57.300 58.200 -0.131 0.000 0.930 203 S CB 1.605 64.770 63.200 -0.058 0.000 1.070 203 S HN 0.260 nan 8.310 nan 0.000 0.480 204 W N 0.888 122.185 121.300 -0.006 0.000 2.702 204 W HA 0.635 5.295 4.660 0.000 0.000 0.331 204 W C -0.517 176.076 176.519 0.124 0.000 1.049 204 W CA -0.362 56.998 57.345 0.026 0.000 1.230 204 W CB 1.620 31.076 29.460 -0.007 0.000 1.408 204 W HN 0.640 nan 8.180 nan 0.000 0.492 205 E N 3.635 124.051 120.200 0.360 0.000 2.227 205 E HA 0.427 4.777 4.350 0.000 0.000 0.268 205 E C -2.409 174.367 176.600 0.292 0.000 0.907 205 E CA -2.255 54.320 56.400 0.292 0.000 0.786 205 E CB 0.999 30.786 29.700 0.145 0.000 1.191 205 E HN -0.020 nan 8.360 nan 0.000 0.411 206 P HA -0.017 nan 4.420 nan 0.000 0.268 206 P C -0.328 176.926 177.300 -0.076 0.000 1.205 206 P CA -0.268 62.618 63.100 -0.357 0.000 0.771 206 P CB 0.544 32.050 31.700 -0.322 0.000 0.858 207 V N 2.947 122.843 119.914 -0.029 0.000 2.425 207 V HA 0.116 4.237 4.120 0.000 0.000 0.276 207 V C 1.277 177.476 176.094 0.176 0.000 1.017 207 V CA -0.109 62.288 62.300 0.162 0.000 1.062 207 V CB -0.518 31.502 31.823 0.327 0.000 0.997 207 V HN 0.704 nan 8.190 nan 0.000 0.476 208 A N 4.593 127.525 122.820 0.185 0.000 2.531 208 A HA 0.489 4.810 4.320 0.000 0.000 0.236 208 A C 1.617 179.393 177.584 0.321 0.000 1.062 208 A CA 0.536 52.674 52.037 0.168 0.000 0.760 208 A CB -0.273 18.809 19.000 0.137 0.000 0.995 208 A HN 2.154 nan 8.150 nan 0.000 0.501 209 G N 0.418 109.283 108.800 0.109 0.000 2.184 209 G HA2 -0.287 3.673 3.960 0.000 0.000 0.264 209 G HA3 -0.287 3.673 3.960 0.000 0.000 0.264 209 G C 0.357 174.832 174.900 -0.708 0.000 0.975 209 G CA 0.589 45.668 45.100 -0.035 0.000 0.642 209 G HN 1.604 nan 8.290 nan 0.000 0.536 210 Q N 0.559 120.011 119.800 -0.581 0.000 2.361 210 Q HA 0.428 4.768 4.340 0.000 0.000 0.276 210 Q C -2.398 173.012 176.000 -0.984 0.000 1.022 210 Q CA -1.254 53.931 55.803 -1.030 0.000 0.898 210 Q CB 0.151 28.606 28.738 -0.471 0.000 1.246 210 Q HN 0.221 nan 8.270 nan 0.000 0.410 211 P HA -0.099 nan 4.420 nan 0.000 0.260 211 P C -0.255 176.615 177.300 -0.717 0.000 1.172 211 P CA 0.534 62.960 63.100 -1.123 0.000 0.760 211 P CB 0.566 31.382 31.700 -1.473 0.000 0.773 212 S N 0.467 115.842 115.700 -0.541 0.000 2.603 212 S HA 0.330 4.801 4.470 0.000 0.000 0.232 212 S C 0.317 174.733 174.600 -0.308 0.000 1.016 212 S CA -0.059 57.922 58.200 -0.364 0.000 0.976 212 S CB -0.144 62.899 63.200 -0.263 0.000 0.921 212 S HN 0.493 nan 8.310 nan 0.000 0.516 213 S N -0.797 114.683 115.700 -0.367 0.000 2.643 213 S HA 0.690 5.160 4.470 0.000 0.000 0.270 213 S C -1.726 172.674 174.600 -0.333 0.000 1.166 213 S CA -1.174 56.868 58.200 -0.263 0.000 0.815 213 S CB -0.082 63.051 63.200 -0.112 0.000 1.139 213 S HN 0.386 nan 8.310 nan 0.000 0.472 214 W N 1.041 122.277 121.300 -0.107 0.000 2.316 214 W HA 0.590 5.250 4.660 0.000 0.000 0.321 214 W C 0.045 176.546 176.519 -0.030 0.000 1.203 214 W CA -0.789 56.513 57.345 -0.072 0.000 1.214 214 W CB 0.579 29.974 29.460 -0.108 0.000 1.169 214 W HN 0.545 nan 8.180 nan 0.000 0.561 215 L N 2.906 124.302 121.223 0.290 0.000 2.483 215 L HA -0.093 4.247 4.340 0.000 0.000 0.276 215 L C 1.859 178.824 176.870 0.158 0.000 1.213 215 L CA 0.077 55.039 54.840 0.204 0.000 0.843 215 L CB 0.167 42.354 42.059 0.212 0.000 1.107 215 L HN 0.634 nan 8.230 nan 0.000 0.487 216 N N 1.640 120.398 118.700 0.098 0.000 2.289 216 N HA -0.172 4.568 4.740 0.000 0.000 0.184 216 N C 1.859 177.405 175.510 0.059 0.000 1.016 216 N CA 0.904 53.989 53.050 0.059 0.000 0.872 216 N CB 0.136 38.644 38.487 0.036 0.000 0.973 216 N HN 0.565 nan 8.380 nan 0.000 0.433 217 R N 0.267 120.813 120.500 0.076 0.000 2.096 217 R HA -0.088 4.252 4.340 0.000 0.000 0.235 217 R C 1.672 178.043 176.300 0.118 0.000 1.127 217 R CA 1.759 57.903 56.100 0.073 0.000 0.968 217 R CB -0.216 30.122 30.300 0.063 0.000 0.861 217 R HN 0.229 nan 8.270 nan 0.000 0.440 218 T N -0.250 114.409 114.554 0.176 0.000 2.668 218 T HA -0.132 4.218 4.350 0.000 0.000 0.262 218 T C 1.880 176.715 174.700 0.224 0.000 1.045 218 T CA 2.055 64.313 62.100 0.264 0.000 1.152 218 T CB -0.502 68.583 68.868 0.361 0.000 0.864 218 T HN 0.539 nan 8.240 nan 0.000 0.419 219 T N 0.300 114.858 114.554 0.007 0.000 2.851 219 T HA 0.082 4.432 4.350 0.000 0.000 0.262 219 T C 2.336 177.054 174.700 0.030 0.000 1.043 219 T CA 1.082 63.077 62.100 -0.174 0.000 1.140 219 T CB -1.012 67.684 68.868 -0.285 0.000 0.872 219 T HN 0.393 nan 8.240 nan 0.000 0.446 220 G N 0.928 109.741 108.800 0.021 0.000 2.535 220 G HA2 0.159 4.119 3.960 0.000 0.000 0.218 220 G HA3 0.159 4.119 3.960 0.000 0.000 0.218 220 G C 1.688 176.557 174.900 -0.052 0.000 1.122 220 G CA 0.578 45.676 45.100 -0.005 0.000 0.769 220 G HN 0.719 nan 8.290 nan 0.000 0.549 221 A N 0.040 122.829 122.820 -0.052 0.000 1.969 221 A HA 0.348 4.668 4.320 0.000 0.000 0.218 221 A C 0.590 177.725 177.584 -0.748 0.000 1.169 221 A CA 0.511 52.322 52.037 -0.376 0.000 0.635 221 A CB -0.095 18.715 19.000 -0.316 0.000 0.810 221 A HN 0.297 nan 8.150 nan 0.000 0.445 222 F N -1.169 118.885 119.950 0.173 0.000 2.794 222 F HA 0.315 4.842 4.527 0.000 0.000 0.353 222 F C -2.027 173.812 175.800 0.064 0.000 1.371 222 F CA -1.826 56.242 58.000 0.114 0.000 1.173 222 F CB 1.395 40.501 39.000 0.177 0.000 1.693 222 F HN -0.002 nan 8.300 nan 0.000 0.606 223 P HA -0.133 nan 4.420 nan 0.000 0.226 223 P C 0.812 178.114 177.300 0.003 0.000 1.153 223 P CA 1.292 64.407 63.100 0.026 0.000 0.777 223 P CB 0.198 31.892 31.700 -0.009 0.000 0.794 224 D N -1.048 119.347 120.400 -0.009 0.000 2.340 224 D HA -0.010 4.630 4.640 0.000 0.000 0.220 224 D C 0.195 176.432 176.300 -0.106 0.000 1.039 224 D CA 0.368 54.334 54.000 -0.058 0.000 0.866 224 D CB -0.048 40.709 40.800 -0.072 0.000 0.913 224 D HN 0.077 nan 8.370 nan 0.000 0.523 225 K N 1.203 121.554 120.400 -0.083 0.000 2.358 225 K HA 0.291 4.611 4.320 0.000 0.000 0.260 225 K C 0.073 176.718 176.600 0.075 0.000 0.956 225 K CA -0.600 55.632 56.287 -0.092 0.000 0.834 225 K CB 2.479 34.726 32.500 -0.421 0.000 1.102 225 K HN -0.085 nan 8.250 nan 0.000 0.431 226 K N 3.239 123.659 120.400 0.033 0.000 2.339 226 K HA 0.231 4.551 4.320 0.000 0.000 0.286 226 K C -2.284 174.342 176.600 0.043 0.000 1.050 226 K CA -1.663 54.614 56.287 -0.017 0.000 0.956 226 K CB 0.514 33.009 32.500 -0.009 0.000 0.990 226 K HN 0.263 nan 8.250 nan 0.000 0.475 227 P HA -0.067 nan 4.420 nan 0.000 0.266 227 P C -0.011 177.313 177.300 0.041 0.000 1.193 227 P CA 0.194 63.184 63.100 -0.182 0.000 0.770 227 P CB 0.602 31.813 31.700 -0.816 0.000 0.836 228 A N 1.492 124.399 122.820 0.145 0.000 2.235 228 A HA 0.167 4.487 4.320 0.000 0.000 0.208 228 A C 0.729 178.440 177.584 0.211 0.000 1.172 228 A CA 0.899 53.033 52.037 0.162 0.000 0.786 228 A CB -0.581 18.515 19.000 0.160 0.000 0.804 228 A HN 0.592 nan 8.150 nan 0.000 0.479 229 S N -1.584 114.280 115.700 0.273 0.000 2.627 229 S HA 0.524 4.994 4.470 0.000 0.000 0.283 229 S C 0.712 175.522 174.600 0.350 0.000 1.127 229 S CA -0.146 58.219 58.200 0.275 0.000 0.863 229 S CB 0.852 64.219 63.200 0.278 0.000 1.121 229 S HN 0.560 nan 8.310 nan 0.000 0.479 230 I N -1.377 119.322 120.570 0.216 0.000 2.617 230 I HA 0.491 4.661 4.170 0.000 0.000 0.256 230 I C 0.743 176.923 176.117 0.106 0.000 1.167 230 I CA 0.450 61.855 61.300 0.175 0.000 1.469 230 I CB -0.417 37.629 38.000 0.076 0.000 1.098 230 I HN 0.719 nan 8.210 nan 0.000 0.436 231 A N 0.464 123.246 122.820 -0.062 0.000 2.527 231 A HA 0.778 5.098 4.320 0.000 0.000 0.293 231 A C -2.777 174.366 177.584 -0.734 0.000 1.117 231 A CA -1.816 49.908 52.037 -0.522 0.000 0.723 231 A CB 0.533 19.285 19.000 -0.414 0.000 1.313 231 A HN -0.099 nan 8.150 nan 0.000 0.411 232 P HA 0.080 nan 4.420 nan 0.000 0.263 232 P C -0.955 176.204 177.300 -0.236 0.000 1.175 232 P CA 0.687 63.151 63.100 -1.061 0.000 0.761 232 P CB 0.228 31.175 31.700 -1.254 0.000 0.794 233 Q N 4.626 124.484 119.800 0.097 0.000 2.316 233 Q HA 0.377 4.717 4.340 0.000 0.000 0.264 233 Q C -2.371 173.691 176.000 0.103 0.000 0.987 233 Q CA -2.486 53.370 55.803 0.088 0.000 0.852 233 Q CB 0.977 29.724 28.738 0.015 0.000 1.287 233 Q HN 0.294 nan 8.270 nan 0.000 0.448 234 P HA -0.077 nan 4.420 nan 0.000 0.263 234 P C -0.150 177.016 177.300 -0.223 0.000 1.195 234 P CA 0.514 63.384 63.100 -0.384 0.000 0.762 234 P CB 0.567 32.103 31.700 -0.274 0.000 0.799 235 M N 2.136 121.612 119.600 -0.206 0.000 2.749 235 M HA 0.176 4.657 4.480 0.000 0.000 0.240 235 M C 0.617 176.873 176.300 -0.072 0.000 1.285 235 M CA 1.461 56.706 55.300 -0.091 0.000 1.267 235 M CB -0.673 31.920 32.600 -0.012 0.000 1.184 235 M HN 0.188 nan 8.290 nan 0.000 0.526 236 K N 0.309 120.677 120.400 -0.054 0.000 2.267 236 K HA 0.683 5.003 4.320 0.000 0.000 0.246 236 K C -1.236 175.350 176.600 -0.023 0.000 0.954 236 K CA -0.512 55.766 56.287 -0.015 0.000 0.824 236 K CB 3.068 35.586 32.500 0.030 0.000 1.167 236 K HN -0.086 nan 8.250 nan 0.000 0.431 237 V N 1.015 120.935 119.914 0.011 0.000 2.735 237 V HA 0.713 4.833 4.120 0.000 0.000 0.310 237 V C -1.040 175.088 176.094 0.055 0.000 1.061 237 V CA -0.951 61.362 62.300 0.022 0.000 0.913 237 V CB 1.719 33.542 31.823 -0.000 0.000 1.005 237 V HN 0.899 nan 8.190 nan 0.000 0.428 238 A N 3.916 126.790 122.820 0.091 0.000 2.356 238 A HA 0.887 5.207 4.320 0.000 0.000 0.310 238 A C -1.433 176.208 177.584 0.096 0.000 1.075 238 A CA -0.529 51.581 52.037 0.123 0.000 0.746 238 A CB 1.511 20.621 19.000 0.184 0.000 1.221 238 A HN 0.760 nan 8.150 nan 0.000 0.443 239 L N 1.612 122.870 121.223 0.060 0.000 2.317 239 L HA 0.806 5.146 4.340 0.000 0.000 0.281 239 L C 0.103 177.021 176.870 0.080 0.000 1.024 239 L CA 0.550 55.394 54.840 0.007 0.000 0.810 239 L CB 1.889 43.937 42.059 -0.018 0.000 1.240 239 L HN 0.731 nan 8.230 nan 0.000 0.427 240 T N 4.922 119.514 114.554 0.064 0.000 2.901 240 T HA 0.433 4.783 4.350 0.000 0.000 0.293 240 T C -2.155 172.538 174.700 -0.012 0.000 1.084 240 T CA -1.000 61.145 62.100 0.075 0.000 1.008 240 T CB 2.021 71.006 68.868 0.194 0.000 1.170 240 T HN 0.406 nan 8.240 nan 0.000 0.509 241 P HA -0.039 nan 4.420 nan 0.000 0.217 241 P C 0.696 177.909 177.300 -0.145 0.000 1.148 241 P CA 1.165 64.224 63.100 -0.069 0.000 0.828 241 P CB 0.262 31.917 31.700 -0.074 0.000 0.783 242 N N -3.480 115.039 118.700 -0.301 0.000 2.143 242 N HA 0.144 4.884 4.740 0.000 0.000 0.229 242 N C -0.920 174.291 175.510 -0.499 0.000 1.294 242 N CA -0.064 52.733 53.050 -0.422 0.000 0.883 242 N CB 0.537 38.702 38.487 -0.537 0.000 1.148 242 N HN -0.173 nan 8.380 nan 0.000 0.511 243 F N 0.414 120.246 119.950 -0.198 0.000 2.563 243 F HA 0.536 5.063 4.527 0.000 0.000 0.316 243 F C -0.233 175.334 175.800 -0.388 0.000 1.076 243 F CA -0.977 56.799 58.000 -0.373 0.000 0.921 243 F CB 1.385 40.021 39.000 -0.606 0.000 1.209 243 F HN -0.282 nan 8.300 nan 0.000 0.462 244 L N 2.859 123.932 121.223 -0.250 0.000 2.307 244 L HA 0.477 4.817 4.340 0.000 0.000 0.284 244 L C -1.346 175.338 176.870 -0.310 0.000 1.023 244 L CA -0.859 53.812 54.840 -0.281 0.000 0.810 244 L CB 1.482 43.337 42.059 -0.341 0.000 1.231 244 L HN 0.516 nan 8.230 nan 0.000 0.423 245 Y N 2.166 122.469 120.300 0.005 0.000 2.352 245 Y HA 0.588 5.138 4.550 0.000 0.000 0.339 245 Y C -0.150 175.792 175.900 0.071 0.000 0.992 245 Y CA -0.825 57.309 58.100 0.057 0.000 1.100 245 Y CB 2.082 40.575 38.460 0.055 0.000 1.192 245 Y HN 0.112 nan 8.280 nan 0.000 0.458 246 V N 2.167 122.258 119.914 0.294 0.000 2.577 246 V HA 0.426 4.547 4.120 0.000 0.000 0.303 246 V C -0.341 175.784 176.094 0.052 0.000 1.042 246 V CA -1.151 61.201 62.300 0.086 0.000 0.872 246 V CB 1.867 33.671 31.823 -0.031 0.000 0.998 246 V HN 0.843 nan 8.190 nan 0.000 0.423 247 T N 1.314 115.846 114.554 -0.036 0.000 2.889 247 T HA 0.728 5.078 4.350 0.000 0.000 0.291 247 T C -0.909 173.724 174.700 -0.113 0.000 0.995 247 T CA -0.335 61.793 62.100 0.046 0.000 1.092 247 T CB 0.925 69.871 68.868 0.129 0.000 0.954 247 T HN 0.414 nan 8.240 nan 0.000 0.506 248 Y N 0.228 120.664 120.300 0.227 0.000 2.536 248 Y HA 0.705 5.255 4.550 0.000 0.000 0.347 248 Y C 0.294 176.377 175.900 0.306 0.000 1.000 248 Y CA -0.875 57.341 58.100 0.193 0.000 1.051 248 Y CB 2.367 40.909 38.460 0.137 0.000 1.259 248 Y HN 1.169 nan 8.280 nan 0.000 0.468 249 A N 0.549 123.638 122.820 0.448 0.000 2.583 249 A HA 0.431 4.751 4.320 0.000 0.000 0.289 249 A C -0.512 177.435 177.584 0.604 0.000 1.151 249 A CA -0.427 51.913 52.037 0.505 0.000 0.695 249 A CB 0.993 20.166 19.000 0.289 0.000 1.290 249 A HN 0.745 nan 8.150 nan 0.000 0.419 250 D N -1.249 119.526 120.400 0.625 0.000 2.339 250 D HA 0.175 4.815 4.640 0.000 0.000 0.217 250 D C -0.284 176.271 176.300 0.426 0.000 1.050 250 D CA 0.565 54.932 54.000 0.613 0.000 0.856 250 D CB 0.244 41.285 40.800 0.401 0.000 0.922 250 D HN 0.361 nan 8.370 nan 0.000 0.518 251 Y N -0.302 120.078 120.300 0.133 0.000 2.565 251 Y HA 0.247 4.797 4.550 0.000 0.000 0.330 251 Y C -2.269 173.597 175.900 -0.056 0.000 1.150 251 Y CA -1.641 56.463 58.100 0.007 0.000 1.055 251 Y CB 1.828 40.264 38.460 -0.039 0.000 1.337 251 Y HN -0.365 nan 8.280 nan 0.000 0.457 252 P HA 0.151 nan 4.420 nan 0.000 0.223 252 P C 0.522 177.619 177.300 -0.338 0.000 1.151 252 P CA 1.980 64.827 63.100 -0.423 0.000 0.787 252 P CB 0.399 31.799 31.700 -0.499 0.000 0.788 253 G N 0.917 109.496 108.800 -0.368 0.000 2.681 253 G HA2 -0.179 3.781 3.960 0.000 0.000 0.220 253 G HA3 -0.179 3.781 3.960 0.000 0.000 0.220 253 G C -2.050 172.557 174.900 -0.488 0.000 1.353 253 G CA 0.032 44.936 45.100 -0.327 0.000 0.872 253 G HN 0.042 nan 8.290 nan 0.000 0.557 254 P HA 0.111 nan 4.420 nan 0.000 0.233 254 P C 0.666 177.516 177.300 -0.751 0.000 1.167 254 P CA 1.786 64.391 63.100 -0.825 0.000 0.770 254 P CB -0.034 30.787 31.700 -1.466 0.000 0.837 255 W N -2.087 118.986 121.300 -0.380 0.000 2.736 255 W HA 0.544 5.204 4.660 0.000 0.000 0.355 255 W C 0.460 177.022 176.519 0.073 0.000 1.102 255 W CA -0.581 56.753 57.345 -0.019 0.000 1.164 255 W CB 0.537 30.123 29.460 0.210 0.000 1.422 255 W HN 0.192 nan 8.180 nan 0.000 0.572 256 G N 0.011 108.991 108.800 0.299 0.000 2.175 256 G HA2 -0.256 3.704 3.960 0.000 0.000 0.244 256 G HA3 -0.256 3.704 3.960 0.000 0.000 0.244 256 G C -0.394 174.404 174.900 -0.170 0.000 0.982 256 G CA -0.045 45.041 45.100 -0.023 0.000 0.641 256 G HN 0.565 nan 8.290 nan 0.000 0.527 257 V N 1.940 121.857 119.914 0.005 0.000 2.572 257 V HA 0.473 4.593 4.120 0.000 0.000 0.291 257 V C 1.616 177.611 176.094 -0.164 0.000 1.039 257 V CA 1.316 63.619 62.300 0.006 0.000 1.055 257 V CB 1.189 33.030 31.823 0.031 0.000 0.969 257 V HN 0.749 nan 8.190 nan 0.000 0.482 258 T N 0.333 114.771 114.554 -0.194 0.000 2.955 258 T HA 0.373 4.723 4.350 0.000 0.000 0.251 258 T C -0.032 174.248 174.700 -0.700 0.000 1.002 258 T CA 0.104 61.883 62.100 -0.535 0.000 0.970 258 T CB 0.189 68.763 68.868 -0.489 0.000 1.091 258 T HN 0.250 nan 8.240 nan 0.000 0.495 259 F N 0.381 120.257 119.950 -0.124 0.000 2.613 259 F HA 0.762 5.289 4.527 0.000 0.000 0.310 259 F C 0.497 176.391 175.800 0.155 0.000 1.085 259 F CA -0.588 57.340 58.000 -0.119 0.000 0.945 259 F CB 2.329 41.005 39.000 -0.541 0.000 1.298 259 F HN 0.341 nan 8.300 nan 0.000 0.455 260 G N 0.857 110.015 108.800 0.596 0.000 2.495 260 G HA2 0.653 4.613 3.960 0.000 0.000 0.294 260 G HA3 0.653 4.613 3.960 0.000 0.000 0.294 260 G C -2.042 173.364 174.900 0.843 0.000 1.397 260 G CA -0.757 44.845 45.100 0.837 0.000 0.790 260 G HN 0.532 nan 8.290 nan 0.000 0.486 261 E N -1.954 118.671 120.200 0.710 0.000 2.445 261 E HA 0.597 4.947 4.350 0.000 0.000 0.279 261 E C -1.598 175.104 176.600 0.169 0.000 1.018 261 E CA -0.984 55.619 56.400 0.338 0.000 0.816 261 E CB 3.119 33.048 29.700 0.381 0.000 1.356 261 E HN 0.821 nan 8.360 nan 0.000 0.462 262 V N 0.644 120.457 119.914 -0.167 0.000 2.638 262 V HA 0.675 4.795 4.120 0.000 0.000 0.306 262 V C -2.083 174.014 176.094 0.006 0.000 1.052 262 V CA -0.346 61.951 62.300 -0.004 0.000 0.885 262 V CB 0.857 32.512 31.823 -0.280 0.000 0.999 262 V HN 0.669 nan 8.190 nan 0.000 0.424 263 W N 4.606 126.093 121.300 0.312 0.000 2.781 263 W HA 0.755 5.415 4.660 0.000 0.000 0.345 263 W C -0.059 176.661 176.519 0.336 0.000 1.085 263 W CA -0.592 56.972 57.345 0.365 0.000 1.198 263 W CB 1.866 31.632 29.460 0.510 0.000 1.423 263 W HN 0.575 nan 8.180 nan 0.000 0.532 264 R N 2.328 123.076 120.500 0.414 0.000 2.494 264 R HA 0.340 4.680 4.340 0.000 0.000 0.305 264 R C -0.815 175.401 176.300 -0.140 0.000 0.959 264 R CA -0.602 55.486 56.100 -0.021 0.000 0.864 264 R CB 1.753 31.871 30.300 -0.303 0.000 1.159 264 R HN 0.638 nan 8.270 nan 0.000 0.446 265 Q N 3.281 122.763 119.800 -0.530 0.000 2.293 265 Q HA 0.150 4.490 4.340 0.000 0.000 0.261 265 Q C -1.027 174.756 176.000 -0.362 0.000 0.960 265 Q CA -0.691 54.597 55.803 -0.859 0.000 0.882 265 Q CB 1.442 29.206 28.738 -1.623 0.000 1.275 265 Q HN 0.545 nan 8.270 nan 0.000 0.445 266 N N 3.348 121.917 118.700 -0.219 0.000 2.420 266 N HA 0.036 4.776 4.740 0.000 0.000 0.262 266 N C 0.393 175.828 175.510 -0.125 0.000 1.144 266 N CA 0.383 53.412 53.050 -0.035 0.000 0.952 266 N CB 0.646 39.132 38.487 -0.001 0.000 1.081 266 N HN 0.643 nan 8.380 nan 0.000 0.480 267 R N 1.821 122.257 120.500 -0.106 0.000 2.189 267 R HA -0.041 4.300 4.340 0.000 0.000 0.218 267 R C 1.330 177.602 176.300 -0.046 0.000 1.074 267 R CA 1.175 57.233 56.100 -0.070 0.000 0.991 267 R CB 0.071 30.347 30.300 -0.039 0.000 0.883 267 R HN 0.546 nan 8.270 nan 0.000 0.457 268 T N 0.282 114.795 114.554 -0.069 0.000 2.735 268 T HA -0.108 4.243 4.350 0.000 0.000 0.256 268 T C 1.974 176.649 174.700 -0.042 0.000 1.042 268 T CA 1.762 63.827 62.100 -0.057 0.000 1.147 268 T CB -0.104 68.723 68.868 -0.068 0.000 0.865 268 T HN 0.361 nan 8.240 nan 0.000 0.421 269 S N 0.276 115.953 115.700 -0.039 0.000 2.528 269 S HA 0.308 4.778 4.470 0.000 0.000 0.219 269 S C 1.890 176.480 174.600 -0.016 0.000 0.985 269 S CA 0.785 58.972 58.200 -0.021 0.000 0.914 269 S CB -0.294 62.899 63.200 -0.011 0.000 0.776 269 S HN 0.759 nan 8.310 nan 0.000 0.526 270 G N 1.028 109.799 108.800 -0.048 0.000 2.166 270 G HA2 -0.148 3.812 3.960 0.000 0.000 0.260 270 G HA3 -0.148 3.812 3.960 0.000 0.000 0.260 270 G C 0.241 175.107 174.900 -0.058 0.000 0.986 270 G CA 0.169 45.236 45.100 -0.055 0.000 0.683 270 G HN 1.310 nan 8.290 nan 0.000 0.527 271 A N -0.926 121.858 122.820 -0.059 0.000 2.340 271 A HA 0.673 4.993 4.320 0.000 0.000 0.268 271 A C -0.201 177.351 177.584 -0.055 0.000 1.100 271 A CA -0.187 51.870 52.037 0.034 0.000 0.803 271 A CB 0.581 19.614 19.000 0.054 0.000 1.043 271 A HN 0.640 nan 8.150 nan 0.000 0.488 272 W N 0.390 121.756 121.300 0.111 0.000 2.632 272 W HA 0.536 5.196 4.660 0.000 0.000 0.328 272 W C -0.999 175.688 176.519 0.280 0.000 1.044 272 W CA 0.010 57.481 57.345 0.209 0.000 1.225 272 W CB 1.811 31.394 29.460 0.206 0.000 1.396 272 W HN 0.674 nan 8.180 nan 0.000 0.499 273 D N 0.975 121.639 120.400 0.440 0.000 2.350 273 D HA 0.118 4.758 4.640 0.000 0.000 0.245 273 D C -1.127 175.164 176.300 -0.014 0.000 1.036 273 D CA -0.631 53.488 54.000 0.199 0.000 0.848 273 D CB 1.511 42.327 40.800 0.027 0.000 1.307 273 D HN 0.143 nan 8.370 nan 0.000 0.469 274 D N 1.817 121.907 120.400 -0.517 0.000 2.352 274 D HA 0.100 4.741 4.640 0.000 0.000 0.245 274 D C 0.393 176.381 176.300 -0.520 0.000 1.224 274 D CA -0.358 52.937 54.000 -1.174 0.000 0.879 274 D CB 0.433 40.467 40.800 -1.275 0.000 1.057 274 D HN 0.501 nan 8.370 nan 0.000 0.491 275 I N 0.345 120.693 120.570 -0.370 0.000 3.914 275 I HA 0.246 4.416 4.170 0.000 0.000 0.333 275 I C 0.043 176.139 176.117 -0.035 0.000 1.449 275 I CA -0.640 60.622 61.300 -0.064 0.000 1.135 275 I CB -0.004 38.061 38.000 0.108 0.000 1.073 275 I HN -0.002 nan 8.210 nan 0.000 0.401 276 T N 4.870 119.228 114.554 -0.327 0.000 2.778 276 T HA 0.072 4.422 4.350 0.000 0.000 0.282 276 T C -2.273 172.166 174.700 -0.435 0.000 0.983 276 T CA -0.277 61.525 62.100 -0.497 0.000 1.193 276 T CB -0.396 68.252 68.868 -0.367 0.000 0.938 276 T HN 0.165 nan 8.240 nan 0.000 0.523 277 P HA 0.093 nan 4.420 nan 0.000 0.261 277 P C 0.129 177.200 177.300 -0.382 0.000 1.183 277 P CA 0.230 62.776 63.100 -0.924 0.000 0.761 277 P CB 0.384 30.903 31.700 -1.968 0.000 0.785 278 R N 0.479 120.877 120.500 -0.171 0.000 2.741 278 R HA 0.448 4.788 4.340 0.000 0.000 0.274 278 R C -1.559 174.753 176.300 0.019 0.000 1.029 278 R CA -1.058 55.022 56.100 -0.032 0.000 0.880 278 R CB 0.228 30.513 30.300 -0.026 0.000 1.264 278 R HN -0.031 nan 8.270 nan 0.000 0.465 279 V N 1.547 121.482 119.914 0.035 0.000 2.458 279 V HA 0.301 4.421 4.120 0.000 0.000 0.287 279 V C 1.385 177.494 176.094 0.025 0.000 1.009 279 V CA 1.893 64.215 62.300 0.036 0.000 1.091 279 V CB 0.097 31.938 31.823 0.029 0.000 0.960 279 V HN 1.105 nan 8.190 nan 0.000 0.476 280 G N 4.741 113.560 108.800 0.031 0.000 2.253 280 G HA2 -0.219 3.741 3.960 0.000 0.000 0.209 280 G HA3 -0.219 3.741 3.960 0.000 0.000 0.209 280 G C 0.528 175.445 174.900 0.029 0.000 0.997 280 G CA 0.223 45.337 45.100 0.023 0.000 0.640 280 G HN 0.902 nan 8.290 nan 0.000 0.496 281 N N 0.237 118.967 118.700 0.051 0.000 2.170 281 N HA 0.300 5.040 4.740 0.000 0.000 0.222 281 N C 0.216 175.818 175.510 0.153 0.000 1.218 281 N CA 1.006 54.104 53.050 0.079 0.000 0.889 281 N CB 0.347 38.887 38.487 0.088 0.000 1.083 281 N HN 1.002 nan 8.380 nan 0.000 0.520 282 S N -1.232 114.548 115.700 0.135 0.000 2.549 282 S HA 0.708 5.178 4.470 0.000 0.000 0.280 282 S C -1.054 173.626 174.600 0.134 0.000 1.109 282 S CA -0.716 57.596 58.200 0.187 0.000 0.905 282 S CB 2.115 65.430 63.200 0.192 0.000 1.081 282 S HN 0.071 nan 8.310 nan 0.000 0.477 283 S N 1.812 117.590 115.700 0.131 0.000 2.538 283 S HA 0.752 5.222 4.470 0.000 0.000 0.288 283 S C -2.948 171.681 174.600 0.049 0.000 1.108 283 S CA -1.527 56.718 58.200 0.075 0.000 0.971 283 S CB 1.071 64.301 63.200 0.050 0.000 1.041 283 S HN 0.562 nan 8.310 nan 0.000 0.483 284 P HA 0.204 nan 4.420 nan 0.000 0.269 284 P C -0.791 176.538 177.300 0.048 0.000 1.217 284 P CA -0.171 62.936 63.100 0.012 0.000 0.783 284 P CB 0.261 31.942 31.700 -0.031 0.000 0.898 285 A N 3.601 126.460 122.820 0.065 0.000 2.507 285 A HA 0.251 4.571 4.320 0.000 0.000 0.235 285 A C -1.941 175.722 177.584 0.131 0.000 1.070 285 A CA -0.648 51.441 52.037 0.088 0.000 0.768 285 A CB -1.668 17.372 19.000 0.067 0.000 1.011 285 A HN 0.433 nan 8.150 nan 0.000 0.502 286 P HA -0.002 nan 4.420 nan 0.000 0.267 286 P C -0.399 177.056 177.300 0.257 0.000 1.201 286 P CA 0.340 63.577 63.100 0.228 0.000 0.775 286 P CB 0.123 31.936 31.700 0.189 0.000 0.854 287 Y N 2.550 122.993 120.300 0.237 0.000 2.717 287 Y HA -0.035 4.516 4.550 0.000 0.000 0.330 287 Y C 0.729 176.694 175.900 0.108 0.000 1.217 287 Y CA 0.264 58.478 58.100 0.190 0.000 1.506 287 Y CB -0.080 38.483 38.460 0.171 0.000 1.268 287 Y HN 0.312 nan 8.280 nan 0.000 0.561 288 N N 4.358 122.769 118.700 -0.481 0.000 2.529 288 N HA 0.127 4.867 4.740 0.000 0.000 0.278 288 N C -0.814 174.447 175.510 -0.416 0.000 1.146 288 N CA 0.075 52.922 53.050 -0.337 0.000 0.980 288 N CB 0.361 38.693 38.487 -0.258 0.000 1.124 288 N HN 0.724 nan 8.380 nan 0.000 0.458 289 N N 0.974 119.593 118.700 -0.135 0.000 2.699 289 N HA -0.226 4.514 4.740 0.000 0.000 0.257 289 N C -1.226 174.381 175.510 0.161 0.000 1.077 289 N CA 0.361 53.400 53.050 -0.019 0.000 0.702 289 N CB -0.819 37.637 38.487 -0.052 0.000 0.886 289 N HN 0.694 nan 8.380 nan 0.000 0.549 290 Q N 0.499 120.450 119.800 0.252 0.000 2.330 290 Q HA 0.224 4.564 4.340 0.000 0.000 0.279 290 Q C 0.333 176.545 176.000 0.353 0.000 1.024 290 Q CA 0.398 56.419 55.803 0.364 0.000 0.900 290 Q CB 0.592 29.562 28.738 0.387 0.000 1.221 290 Q HN 0.422 nan 8.270 nan 0.000 0.396 291 T N 2.223 116.888 114.554 0.186 0.000 2.909 291 T HA 0.355 4.705 4.350 0.000 0.000 0.289 291 T C -0.219 174.441 174.700 -0.065 0.000 1.005 291 T CA -0.734 61.433 62.100 0.111 0.000 1.084 291 T CB 0.255 69.133 68.868 0.018 0.000 0.975 291 T HN 0.474 nan 8.240 nan 0.000 0.509 292 F N 5.853 125.615 119.950 -0.313 0.000 2.529 292 F HA 0.418 4.945 4.527 0.000 0.000 0.365 292 F C -1.837 173.683 175.800 -0.467 0.000 1.102 292 F CA -1.741 55.820 58.000 -0.732 0.000 1.271 292 F CB 0.501 39.104 39.000 -0.661 0.000 1.120 292 F HN 0.507 nan 8.300 nan 0.000 0.579 293 P HA 0.258 nan 4.420 nan 0.000 0.282 293 P C -0.721 176.062 177.300 -0.863 0.000 1.259 293 P CA -0.408 61.639 63.100 -1.755 0.000 0.826 293 P CB 1.568 32.150 31.700 -1.863 0.000 1.064 294 A N 1.251 123.663 122.820 -0.679 0.000 2.119 294 A HA 0.351 4.671 4.320 0.000 0.000 0.217 294 A C 1.216 178.599 177.584 -0.335 0.000 1.153 294 A CA 1.306 53.183 52.037 -0.267 0.000 0.692 294 A CB -1.501 17.533 19.000 0.057 0.000 0.799 294 A HN 0.927 nan 8.150 nan 0.000 0.458 295 G N -2.295 106.215 108.800 -0.483 0.000 2.642 295 G HA2 0.256 4.216 3.960 0.000 0.000 0.231 295 G HA3 0.256 4.216 3.960 0.000 0.000 0.231 295 G C 0.455 175.203 174.900 -0.253 0.000 1.338 295 G CA -0.257 44.618 45.100 -0.376 0.000 0.883 295 G HN 1.475 nan 8.290 nan 0.000 0.570 296 G N -2.101 106.581 108.800 -0.197 0.000 3.212 296 G HA2 0.839 4.799 3.960 0.000 0.000 0.188 296 G HA3 0.839 4.799 3.960 0.000 0.000 0.188 296 G C -1.260 173.439 174.900 -0.335 0.000 1.254 296 G CA -0.612 44.465 45.100 -0.039 0.000 0.957 296 G HN 0.906 nan 8.290 nan 0.000 0.596 297 F N -1.973 118.054 119.950 0.127 0.000 2.576 297 F HA 0.612 5.140 4.527 0.000 0.000 0.313 297 F C 0.486 176.325 175.800 0.065 0.000 1.078 297 F CA -0.656 57.394 58.000 0.083 0.000 0.921 297 F CB 2.167 41.212 39.000 0.076 0.000 1.232 297 F HN 0.597 nan 8.300 nan 0.000 0.459 298 C N 0.296 119.724 119.300 0.213 0.000 3.190 298 C HA 0.518 4.978 4.460 0.000 0.000 0.288 298 C C 1.203 176.266 174.990 0.121 0.000 2.330 298 C CA 0.600 59.694 59.018 0.126 0.000 1.535 298 C CB -0.181 27.601 27.740 0.069 0.000 1.587 298 C HN 1.027 nan 8.230 nan 0.000 0.679 299 G N 2.537 111.408 108.800 0.119 0.000 2.138 299 G HA2 0.353 4.313 3.960 0.000 0.000 0.244 299 G HA3 0.353 4.313 3.960 0.000 0.000 0.244 299 G C -1.003 173.968 174.900 0.119 0.000 1.166 299 G CA 0.861 46.031 45.100 0.115 0.000 0.902 299 G HN 0.818 nan 8.290 nan 0.000 0.460 300 L N 1.815 123.099 121.223 0.100 0.000 2.543 300 L HA 0.748 5.088 4.340 0.000 0.000 0.265 300 L C -0.566 176.349 176.870 0.076 0.000 0.945 300 L CA -0.593 54.298 54.840 0.085 0.000 0.869 300 L CB 2.354 44.461 42.059 0.080 0.000 1.294 300 L HN 0.596 nan 8.230 nan 0.000 0.405 301 S N 3.658 119.394 115.700 0.060 0.000 2.603 301 S HA 0.797 5.267 4.470 0.000 0.000 0.274 301 S C -1.588 173.019 174.600 0.012 0.000 1.168 301 S CA -0.440 57.791 58.200 0.052 0.000 0.963 301 S CB 1.367 64.611 63.200 0.073 0.000 1.078 301 S HN 0.503 nan 8.310 nan 0.000 0.477 302 V N 4.013 123.932 119.914 0.009 0.000 2.472 302 V HA 0.386 4.506 4.120 0.000 0.000 0.290 302 V C 0.095 176.197 176.094 0.015 0.000 1.037 302 V CA -0.825 61.466 62.300 -0.016 0.000 0.908 302 V CB 1.676 33.512 31.823 0.022 0.000 0.985 302 V HN 0.928 nan 8.190 nan 0.000 0.454 303 D N 3.718 124.121 120.400 0.005 0.000 2.389 303 D HA 0.131 4.771 4.640 0.000 0.000 0.263 303 D C 1.069 177.371 176.300 0.003 0.000 1.255 303 D CA 0.447 54.450 54.000 0.006 0.000 0.914 303 D CB 1.653 42.455 40.800 0.003 0.000 1.116 303 D HN 0.657 nan 8.370 nan 0.000 0.502 304 A N 3.181 125.991 122.820 -0.018 0.000 2.125 304 A HA -0.144 4.176 4.320 0.000 0.000 0.219 304 A C 1.851 179.404 177.584 -0.051 0.000 1.156 304 A CA 1.855 53.870 52.037 -0.036 0.000 0.671 304 A CB -0.408 18.543 19.000 -0.081 0.000 0.794 304 A HN 0.654 nan 8.150 nan 0.000 0.459 305 T N -3.876 110.646 114.554 -0.053 0.000 3.069 305 T HA 0.203 4.553 4.350 0.000 0.000 0.252 305 T C 0.216 174.907 174.700 -0.015 0.000 1.053 305 T CA 0.285 62.357 62.100 -0.046 0.000 0.964 305 T CB -0.106 68.728 68.868 -0.056 0.000 1.005 305 T HN 0.283 nan 8.240 nan 0.000 0.532 306 N N 1.257 119.958 118.700 0.002 0.000 2.875 306 N HA 0.241 4.981 4.740 0.000 0.000 0.253 306 N C -2.806 172.736 175.510 0.053 0.000 1.296 306 N CA -1.644 51.419 53.050 0.021 0.000 0.816 306 N CB 2.091 40.584 38.487 0.010 0.000 1.504 306 N HN -0.129 nan 8.380 nan 0.000 0.582 307 P HA 0.004 nan 4.420 nan 0.000 0.230 307 P C 0.297 177.780 177.300 0.304 0.000 1.158 307 P CA 0.689 63.906 63.100 0.194 0.000 0.769 307 P CB 0.474 32.273 31.700 0.166 0.000 0.807 308 N N -0.241 118.576 118.700 0.197 0.000 2.467 308 N HA -0.027 4.713 4.740 0.000 0.000 0.184 308 N C 0.833 176.341 175.510 -0.003 0.000 1.106 308 N CA 0.349 53.489 53.050 0.150 0.000 0.892 308 N CB 0.025 38.572 38.487 0.098 0.000 0.969 308 N HN 0.244 nan 8.380 nan 0.000 0.454 309 R N 1.191 121.683 120.500 -0.014 0.000 2.343 309 R HA 0.495 4.835 4.340 0.000 0.000 0.320 309 R C -1.097 175.158 176.300 -0.076 0.000 0.956 309 R CA -0.467 55.599 56.100 -0.058 0.000 0.836 309 R CB 0.545 30.831 30.300 -0.023 0.000 1.151 309 R HN 0.069 nan 8.270 nan 0.000 0.450 310 L N 1.641 122.805 121.223 -0.098 0.000 2.710 310 L HA 0.720 5.060 4.340 0.000 0.000 0.260 310 L C -1.421 175.505 176.870 0.095 0.000 0.993 310 L CA -1.198 53.593 54.840 -0.081 0.000 0.877 310 L CB 1.841 43.702 42.059 -0.330 0.000 1.461 310 L HN 0.333 nan 8.230 nan 0.000 0.413 311 V N 0.166 120.159 119.914 0.132 0.000 2.715 311 V HA 0.946 5.066 4.120 0.000 0.000 0.310 311 V C -0.158 176.045 176.094 0.183 0.000 1.054 311 V CA -0.251 62.188 62.300 0.232 0.000 0.928 311 V CB 1.470 33.401 31.823 0.180 0.000 1.007 311 V HN 1.114 nan 8.190 nan 0.000 0.437 312 V N 2.104 122.110 119.914 0.153 0.000 2.914 312 V HA 0.814 4.934 4.120 0.000 0.000 0.314 312 V C -0.674 175.521 176.094 0.169 0.000 1.084 312 V CA -0.756 61.594 62.300 0.085 0.000 0.963 312 V CB 1.893 33.664 31.823 -0.087 0.000 1.025 312 V HN 0.958 nan 8.190 nan 0.000 0.432 313 I N 2.148 122.848 120.570 0.218 0.000 2.686 313 I HA 0.531 4.701 4.170 0.000 0.000 0.295 313 I C 0.404 176.599 176.117 0.130 0.000 1.114 313 I CA -0.572 60.814 61.300 0.143 0.000 1.038 313 I CB 2.643 40.671 38.000 0.046 0.000 1.238 313 I HN 0.950 nan 8.210 nan 0.000 0.420 314 T N 2.408 116.926 114.554 -0.061 0.000 2.828 314 T HA 0.572 4.922 4.350 0.000 0.000 0.290 314 T C -0.634 173.967 174.700 -0.166 0.000 1.019 314 T CA -0.461 61.427 62.100 -0.354 0.000 1.031 314 T CB 1.658 70.293 68.868 -0.388 0.000 1.001 314 T HN 0.359 nan 8.240 nan 0.000 0.531 315 L N 1.325 122.433 121.223 -0.193 0.000 2.436 315 L HA 0.482 4.823 4.340 0.000 0.000 0.268 315 L C -0.771 176.047 176.870 -0.088 0.000 0.974 315 L CA 0.164 54.964 54.840 -0.068 0.000 0.826 315 L CB 1.399 43.434 42.059 -0.041 0.000 1.291 315 L HN 0.841 nan 8.230 nan 0.000 0.406 316 D N 1.870 122.270 120.400 -0.000 0.000 2.945 316 D HA -0.243 4.397 4.640 0.000 0.000 0.225 316 D C 0.477 176.677 176.300 -0.167 0.000 1.158 316 D CA 0.965 54.947 54.000 -0.031 0.000 0.805 316 D CB -0.735 40.043 40.800 -0.038 0.000 1.098 316 D HN 0.622 nan 8.370 nan 0.000 0.426 317 R N 1.330 121.727 120.500 -0.172 0.000 2.878 317 R HA 0.152 4.492 4.340 0.000 0.000 0.239 317 R C -0.753 175.423 176.300 -0.206 0.000 1.515 317 R CA 0.250 56.218 56.100 -0.220 0.000 1.210 317 R CB 0.121 30.310 30.300 -0.184 0.000 1.209 317 R HN 0.008 nan 8.270 nan 0.000 0.610 318 D N 2.935 123.186 120.400 -0.248 0.000 2.878 318 D HA 0.120 4.760 4.640 0.000 0.000 0.211 318 D C -2.196 173.941 176.300 -0.272 0.000 1.271 318 D CA -1.434 52.422 54.000 -0.239 0.000 0.845 318 D CB 2.258 42.954 40.800 -0.173 0.000 1.679 318 D HN 0.184 nan 8.370 nan 0.000 0.536 319 P HA 0.186 nan 4.420 nan 0.000 0.245 319 P C 0.849 177.976 177.300 -0.289 0.000 1.212 319 P CA 0.706 63.643 63.100 -0.272 0.000 0.774 319 P CB 0.283 31.840 31.700 -0.238 0.000 0.999 320 G N 1.660 110.292 108.800 -0.280 0.000 2.692 320 G HA2 -0.188 3.772 3.960 0.000 0.000 0.248 320 G HA3 -0.188 3.772 3.960 0.000 0.000 0.248 320 G C -2.626 172.105 174.900 -0.282 0.000 1.340 320 G CA -0.336 44.581 45.100 -0.306 0.000 0.896 320 G HN 0.242 nan 8.290 nan 0.000 0.570 321 P HA 0.514 nan 4.420 nan 0.000 0.274 321 P C 0.176 177.194 177.300 -0.470 0.000 1.237 321 P CA 0.612 63.346 63.100 -0.611 0.000 0.793 321 P CB 0.904 32.083 31.700 -0.869 0.000 0.977 322 A N 2.432 124.952 122.820 -0.500 0.000 2.272 322 A HA 0.484 4.804 4.320 0.000 0.000 0.275 322 A C 0.533 177.818 177.584 -0.498 0.000 1.096 322 A CA -0.631 50.953 52.037 -0.756 0.000 0.822 322 A CB -0.217 18.512 19.000 -0.453 0.000 1.088 322 A HN 0.527 nan 8.150 nan 0.000 0.495 323 L N -0.034 120.818 121.223 -0.619 0.000 2.543 323 L HA 0.222 4.562 4.340 0.000 0.000 0.231 323 L C 0.264 177.085 176.870 -0.082 0.000 1.194 323 L CA -0.911 53.737 54.840 -0.319 0.000 0.823 323 L CB 0.078 41.952 42.059 -0.309 0.000 1.374 323 L HN 0.605 nan 8.230 nan 0.000 0.507 324 D N 0.377 120.746 120.400 -0.051 0.000 2.472 324 D HA 0.067 4.707 4.640 0.000 0.000 0.237 324 D C -0.580 175.657 176.300 -0.106 0.000 1.141 324 D CA 0.590 54.555 54.000 -0.057 0.000 0.875 324 D CB 0.876 41.661 40.800 -0.025 0.000 1.192 324 D HN 0.335 nan 8.370 nan 0.000 0.450 325 S N 1.162 116.720 115.700 -0.236 0.000 2.513 325 S HA 0.506 4.977 4.470 0.000 0.000 0.299 325 S C 0.211 174.455 174.600 -0.593 0.000 1.087 325 S CA -0.717 57.138 58.200 -0.575 0.000 1.012 325 S CB 1.416 64.135 63.200 -0.801 0.000 1.044 325 S HN 0.251 nan 8.310 nan 0.000 0.485 326 I N 2.792 122.947 120.570 -0.692 0.000 2.385 326 I HA 0.383 4.553 4.170 0.000 0.000 0.294 326 I C -1.248 174.581 176.117 -0.479 0.000 0.988 326 I CA -0.509 60.545 61.300 -0.409 0.000 1.265 326 I CB 0.853 38.720 38.000 -0.221 0.000 1.388 326 I HN 0.580 nan 8.210 nan 0.000 0.480 327 Y N 5.853 126.117 120.300 -0.060 0.000 2.409 327 Y HA 0.538 5.088 4.550 0.000 0.000 0.343 327 Y C -0.512 175.544 175.900 0.260 0.000 0.973 327 Y CA -0.880 57.232 58.100 0.020 0.000 1.064 327 Y CB 1.939 40.250 38.460 -0.248 0.000 1.207 327 Y HN 0.343 nan 8.280 nan 0.000 0.452 328 L N 2.564 124.088 121.223 0.501 0.000 2.341 328 L HA 0.736 5.076 4.340 0.000 0.000 0.278 328 L C -0.513 176.556 176.870 0.331 0.000 1.005 328 L CA -0.133 54.943 54.840 0.393 0.000 0.818 328 L CB 1.757 43.938 42.059 0.202 0.000 1.259 328 L HN 0.551 nan 8.230 nan 0.000 0.418 329 S N 1.333 117.054 115.700 0.034 0.000 2.513 329 S HA 0.598 5.068 4.470 0.000 0.000 0.299 329 S C 0.556 175.006 174.600 -0.250 0.000 1.087 329 S CA 0.136 58.090 58.200 -0.410 0.000 1.012 329 S CB 1.308 63.747 63.200 -1.267 0.000 1.044 329 S HN 0.833 nan 8.310 nan 0.000 0.485 330 T N -0.285 114.144 114.554 -0.210 0.000 3.044 330 T HA 0.234 4.584 4.350 0.000 0.000 0.260 330 T C -0.150 174.469 174.700 -0.136 0.000 1.019 330 T CA -0.016 62.004 62.100 -0.133 0.000 0.921 330 T CB -0.312 68.508 68.868 -0.080 0.000 1.053 330 T HN 0.613 nan 8.240 nan 0.000 0.533 331 D N 1.002 121.274 120.400 -0.212 0.000 2.891 331 D HA 0.538 5.178 4.640 0.000 0.000 0.312 331 D C 0.875 177.051 176.300 -0.207 0.000 1.354 331 D CA -0.451 53.449 54.000 -0.167 0.000 0.838 331 D CB -0.033 40.673 40.800 -0.157 0.000 1.117 331 D HN 0.347 nan 8.370 nan 0.000 0.473 332 A N -0.127 122.577 122.820 -0.193 0.000 2.832 332 A HA 0.091 4.411 4.320 0.000 0.000 0.280 332 A C 1.735 179.161 177.584 -0.263 0.000 1.464 332 A CA 1.311 53.252 52.037 -0.160 0.000 0.804 332 A CB -1.936 16.942 19.000 -0.205 0.000 1.020 332 A HN 1.675 nan 8.150 nan 0.000 0.563 333 G N -3.364 105.087 108.800 -0.582 0.000 2.176 333 G HA2 0.131 4.091 3.960 0.000 0.000 0.232 333 G HA3 0.131 4.091 3.960 0.000 0.000 0.232 333 G C 1.389 175.969 174.900 -0.534 0.000 0.986 333 G CA 1.176 45.845 45.100 -0.718 0.000 0.643 333 G HN 2.219 nan 8.290 nan 0.000 0.522 334 A N -0.462 122.104 122.820 -0.423 0.000 1.930 334 A HA 0.448 4.769 4.320 0.000 0.000 0.217 334 A C 1.610 179.027 177.584 -0.278 0.000 1.175 334 A CA 2.663 54.541 52.037 -0.265 0.000 0.627 334 A CB -0.293 18.595 19.000 -0.187 0.000 0.815 334 A HN 2.007 nan 8.150 nan 0.000 0.443 335 T N -5.595 108.696 114.554 -0.438 0.000 2.900 335 T HA 0.563 4.914 4.350 0.000 0.000 0.303 335 T C -1.257 173.167 174.700 -0.460 0.000 1.142 335 T CA -0.752 61.176 62.100 -0.286 0.000 1.007 335 T CB 1.172 69.955 68.868 -0.141 0.000 1.156 335 T HN 0.357 nan 8.240 nan 0.000 0.490 336 W N 0.437 121.720 121.300 -0.029 0.000 2.950 336 W HA 0.659 5.319 4.660 0.000 0.000 0.340 336 W C -0.388 176.165 176.519 0.057 0.000 1.139 336 W CA -0.997 56.358 57.345 0.018 0.000 1.188 336 W CB 1.852 31.322 29.460 0.018 0.000 1.426 336 W HN 0.376 nan 8.180 nan 0.000 0.531 337 K N 1.943 122.540 120.400 0.329 0.000 2.213 337 K HA 0.127 4.447 4.320 0.000 0.000 0.270 337 K C -0.799 175.929 176.600 0.212 0.000 1.002 337 K CA -0.674 55.735 56.287 0.203 0.000 0.868 337 K CB 1.601 34.167 32.500 0.110 0.000 1.093 337 K HN 0.420 nan 8.250 nan 0.000 0.454 338 D N 3.839 124.287 120.400 0.080 0.000 2.383 338 D HA 0.009 4.649 4.640 0.000 0.000 0.245 338 D C 0.990 177.105 176.300 -0.307 0.000 1.263 338 D CA -0.071 53.790 54.000 -0.233 0.000 0.936 338 D CB 0.618 41.233 40.800 -0.309 0.000 1.053 338 D HN 0.129 nan 8.370 nan 0.000 0.507 339 V N 3.497 123.254 119.914 -0.261 0.000 2.407 339 V HA -0.233 3.887 4.120 0.000 0.000 0.248 339 V C 2.469 178.361 176.094 -0.336 0.000 1.055 339 V CA 1.729 63.952 62.300 -0.128 0.000 1.049 339 V CB -0.658 31.201 31.823 0.060 0.000 0.662 339 V HN 0.524 nan 8.190 nan 0.000 0.455 340 T N -0.639 113.424 114.554 -0.818 0.000 2.737 340 T HA -0.221 4.129 4.350 0.000 0.000 0.265 340 T C 1.984 176.095 174.700 -0.982 0.000 1.038 340 T CA 1.621 62.897 62.100 -1.374 0.000 1.144 340 T CB -0.231 67.662 68.868 -1.625 0.000 0.866 340 T HN 0.530 nan 8.240 nan 0.000 0.434 341 Q N 0.355 119.509 119.800 -1.076 0.000 2.050 341 Q HA -0.010 4.330 4.340 0.000 0.000 0.202 341 Q C 2.413 178.146 176.000 -0.446 0.000 0.980 341 Q CA 1.161 56.347 55.803 -1.029 0.000 0.840 341 Q CB -0.392 27.736 28.738 -1.016 0.000 0.898 341 Q HN 0.461 nan 8.270 nan 0.000 0.424 342 L N 0.232 121.283 121.223 -0.287 0.000 2.265 342 L HA -0.132 4.208 4.340 0.000 0.000 0.215 342 L C 1.895 178.788 176.870 0.037 0.000 1.117 342 L CA 0.653 55.449 54.840 -0.073 0.000 0.782 342 L CB -0.046 42.010 42.059 -0.005 0.000 0.914 342 L HN 0.105 nan 8.230 nan 0.000 0.441 343 S N -1.660 114.066 115.700 0.042 0.000 2.548 343 S HA 0.090 4.560 4.470 0.000 0.000 0.215 343 S C 0.818 175.495 174.600 0.128 0.000 0.976 343 S CA -0.208 58.129 58.200 0.229 0.000 0.908 343 S CB 0.311 63.819 63.200 0.514 0.000 0.781 343 S HN 0.211 nan 8.310 nan 0.000 0.519 344 S N 3.170 118.876 115.700 0.011 0.000 2.585 344 S HA 0.452 4.923 4.470 0.000 0.000 0.277 344 S C -2.371 172.276 174.600 0.078 0.000 1.241 344 S CA -1.107 57.124 58.200 0.052 0.000 1.041 344 S CB 0.585 63.853 63.200 0.112 0.000 0.987 344 S HN 0.110 nan 8.310 nan 0.000 0.512 345 P HA 0.077 nan 4.420 nan 0.000 0.269 345 P C -0.062 177.295 177.300 0.095 0.000 1.211 345 P CA -0.237 62.906 63.100 0.072 0.000 0.781 345 P CB 0.257 31.985 31.700 0.047 0.000 0.877 346 S N 0.726 116.476 115.700 0.083 0.000 2.634 346 S HA 0.168 4.638 4.470 0.000 0.000 0.261 346 S C 0.172 174.832 174.600 0.100 0.000 1.271 346 S CA -0.364 57.895 58.200 0.098 0.000 0.985 346 S CB -0.357 62.889 63.200 0.076 0.000 0.968 346 S HN 0.472 nan 8.310 nan 0.000 0.568 347 N N -0.768 117.998 118.700 0.110 0.000 2.735 347 N HA -0.124 4.616 4.740 0.000 0.000 0.248 347 N C -0.065 175.495 175.510 0.083 0.000 1.083 347 N CA 0.934 54.039 53.050 0.091 0.000 0.703 347 N CB -1.920 36.606 38.487 0.065 0.000 1.005 347 N HN 0.614 nan 8.380 nan 0.000 0.550 348 L N -0.770 120.516 121.223 0.104 0.000 2.693 348 L HA 0.208 4.549 4.340 0.000 0.000 0.235 348 L C 0.823 177.657 176.870 -0.060 0.000 1.127 348 L CA -0.125 54.748 54.840 0.055 0.000 0.914 348 L CB 0.242 42.367 42.059 0.109 0.000 1.193 348 L HN 0.143 nan 8.230 nan 0.000 0.502 349 E N 1.370 121.567 120.200 -0.005 0.000 2.320 349 E HA -0.237 4.113 4.350 0.000 0.000 0.234 349 E C 0.995 177.345 176.600 -0.416 0.000 1.183 349 E CA 0.793 57.187 56.400 -0.012 0.000 0.713 349 E CB -1.402 28.311 29.700 0.022 0.000 1.226 349 E HN 0.651 nan 8.360 nan 0.000 0.382 350 G N -0.268 108.046 108.800 -0.810 0.000 2.225 350 G HA2 -0.345 3.615 3.960 0.000 0.000 0.254 350 G HA3 -0.345 3.615 3.960 0.000 0.000 0.254 350 G C 0.144 173.900 174.900 -1.907 0.000 0.988 350 G CA 0.044 44.031 45.100 -1.855 0.000 0.625 350 G HN 0.368 nan 8.290 nan 0.000 0.527 351 N N 1.571 119.638 118.700 -1.056 0.000 2.968 351 N HA 0.300 5.041 4.740 0.000 0.000 0.271 351 N C 0.402 175.746 175.510 -0.275 0.000 1.174 351 N CA -0.165 52.461 53.050 -0.707 0.000 1.096 351 N CB -0.267 37.917 38.487 -0.505 0.000 1.403 351 N HN 0.579 nan 8.380 nan 0.000 0.522 352 W N 0.924 122.163 121.300 -0.102 0.000 2.160 352 W HA 0.388 5.048 4.660 0.000 0.000 0.352 352 W C 1.195 177.729 176.519 0.025 0.000 1.288 352 W CA -0.703 56.584 57.345 -0.097 0.000 1.279 352 W CB 0.637 29.927 29.460 -0.282 0.000 1.181 352 W HN 0.257 nan 8.180 nan 0.000 0.593 353 G N -0.058 108.853 108.800 0.185 0.000 2.547 353 G HA2 0.275 4.235 3.960 0.000 0.000 0.291 353 G HA3 0.275 4.235 3.960 0.000 0.000 0.291 353 G C -1.952 172.861 174.900 -0.145 0.000 1.471 353 G CA -1.106 44.005 45.100 0.018 0.000 0.798 353 G HN 0.503 nan 8.290 nan 0.000 0.504 354 H N 0.326 119.319 119.070 -0.127 0.000 2.487 354 H HA 0.424 4.980 4.556 0.000 0.000 0.333 354 H C -2.093 173.197 175.328 -0.063 0.000 1.114 354 H CA -1.447 54.487 56.048 -0.191 0.000 1.310 354 H CB 1.710 31.155 29.762 -0.530 0.000 1.462 354 H HN 0.130 nan 8.280 nan 0.000 0.516 355 P HA -0.010 nan 4.420 nan 0.000 0.268 355 P C 0.824 178.199 177.300 0.124 0.000 1.205 355 P CA 0.096 63.249 63.100 0.088 0.000 0.771 355 P CB 0.635 32.391 31.700 0.094 0.000 0.858 356 T N 0.919 115.525 114.554 0.086 0.000 2.849 356 T HA -0.170 4.180 4.350 0.000 0.000 0.270 356 T C 1.585 176.334 174.700 0.081 0.000 1.066 356 T CA 1.586 63.741 62.100 0.092 0.000 1.130 356 T CB -0.734 68.164 68.868 0.049 0.000 0.864 356 T HN 0.501 nan 8.240 nan 0.000 0.481 357 N N 1.273 120.017 118.700 0.073 0.000 2.364 357 N HA -0.016 4.724 4.740 0.000 0.000 0.183 357 N C 1.710 177.277 175.510 0.095 0.000 1.022 357 N CA 1.036 54.123 53.050 0.062 0.000 0.883 357 N CB -0.291 38.228 38.487 0.055 0.000 0.965 357 N HN 0.407 nan 8.380 nan 0.000 0.438 358 A N -0.253 122.663 122.820 0.161 0.000 2.067 358 A HA 0.319 4.639 4.320 0.000 0.000 0.217 358 A C 1.403 179.133 177.584 0.243 0.000 1.156 358 A CA 0.737 52.916 52.037 0.236 0.000 0.683 358 A CB -0.550 18.613 19.000 0.272 0.000 0.808 358 A HN 0.307 nan 8.150 nan 0.000 0.455 359 A N 0.917 123.839 122.820 0.170 0.000 3.052 359 A HA 0.427 4.747 4.320 0.000 0.000 0.266 359 A C 0.433 177.912 177.584 -0.176 0.000 1.855 359 A CA -0.170 51.809 52.037 -0.097 0.000 1.473 359 A CB -0.660 18.290 19.000 -0.084 0.000 1.038 359 A HN 0.545 nan 8.150 nan 0.000 0.619 360 R N -0.247 120.188 120.500 -0.108 0.000 2.771 360 R HA 0.537 4.877 4.340 0.000 0.000 0.274 360 R C -1.159 175.173 176.300 0.054 0.000 0.987 360 R CA -0.924 55.112 56.100 -0.107 0.000 0.908 360 R CB 0.844 31.112 30.300 -0.053 0.000 1.213 360 R HN 0.362 nan 8.270 nan 0.000 0.468 361 Y N 1.358 121.645 120.300 -0.022 0.000 2.394 361 Y HA -0.053 4.497 4.550 0.000 0.000 0.351 361 Y C 1.809 177.725 175.900 0.028 0.000 1.272 361 Y CA -0.624 57.502 58.100 0.043 0.000 1.508 361 Y CB 0.246 38.729 38.460 0.038 0.000 1.369 361 Y HN 0.617 nan 8.280 nan 0.000 0.639 362 K N 0.289 120.777 120.400 0.146 0.000 2.209 362 K HA -0.187 4.133 4.320 0.000 0.000 0.204 362 K C 0.956 177.519 176.600 -0.062 0.000 1.048 362 K CA 1.659 57.840 56.287 -0.177 0.000 0.940 362 K CB -0.148 32.067 32.500 -0.475 0.000 0.729 362 K HN 0.809 nan 8.250 nan 0.000 0.451 363 D N -1.658 118.769 120.400 0.045 0.000 2.363 363 D HA -0.018 4.622 4.640 0.000 0.000 0.220 363 D C 1.111 177.425 176.300 0.024 0.000 0.994 363 D CA 1.031 55.052 54.000 0.034 0.000 0.890 363 D CB 0.287 41.128 40.800 0.070 0.000 0.906 363 D HN 0.365 nan 8.370 nan 0.000 0.530 364 G N -0.853 107.961 108.800 0.023 0.000 2.238 364 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 364 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 364 G C 0.420 175.277 174.900 -0.071 0.000 0.996 364 G CA 0.040 45.130 45.100 -0.016 0.000 0.632 364 G HN 0.412 nan 8.290 nan 0.000 0.503 365 T N 5.011 119.494 114.554 -0.118 0.000 2.792 365 T HA 0.420 4.770 4.350 0.000 0.000 0.286 365 T C -1.726 172.728 174.700 -0.409 0.000 0.970 365 T CA 0.396 62.325 62.100 -0.284 0.000 1.187 365 T CB 1.391 69.983 68.868 -0.460 0.000 0.915 365 T HN 0.384 nan 8.240 nan 0.000 0.529 366 P HA 0.233 nan 4.420 nan 0.000 0.274 366 P C -0.746 176.346 177.300 -0.347 0.000 1.231 366 P CA -0.440 62.503 63.100 -0.262 0.000 0.790 366 P CB 0.776 32.381 31.700 -0.159 0.000 0.951 367 V N 4.201 123.897 119.914 -0.364 0.000 2.260 367 V HA 0.147 4.267 4.120 0.000 0.000 0.263 367 V C -1.597 174.184 176.094 -0.522 0.000 1.036 367 V CA -1.202 60.817 62.300 -0.468 0.000 0.874 367 V CB 0.871 32.355 31.823 -0.565 0.000 1.116 367 V HN 0.460 nan 8.190 nan 0.000 0.454 368 P HA -0.091 nan 4.420 nan 0.000 0.221 368 P C 1.624 178.806 177.300 -0.197 0.000 1.150 368 P CA 1.013 63.992 63.100 -0.203 0.000 0.800 368 P CB 0.090 31.733 31.700 -0.094 0.000 0.787 369 W N -0.921 120.272 121.300 -0.178 0.000 2.699 369 W HA 0.054 4.714 4.660 0.000 0.000 0.249 369 W C 0.770 177.052 176.519 -0.395 0.000 1.280 369 W CA -0.149 57.031 57.345 -0.274 0.000 1.345 369 W CB -1.260 28.015 29.460 -0.308 0.000 1.128 369 W HN -0.119 nan 8.180 nan 0.000 0.642 370 L N 3.286 124.027 121.223 -0.804 0.000 2.549 370 L HA -0.132 4.208 4.340 0.000 0.000 0.229 370 L C 1.762 178.628 176.870 -0.007 0.000 1.158 370 L CA 2.006 56.448 54.840 -0.663 0.000 0.842 370 L CB -0.921 40.672 42.059 -0.776 0.000 0.952 370 L HN -0.022 nan 8.230 nan 0.000 0.452 371 D N -2.579 117.828 120.400 0.012 0.000 2.349 371 D HA -0.138 4.502 4.640 0.000 0.000 0.215 371 D C 0.964 177.481 176.300 0.360 0.000 1.016 371 D CA -0.174 53.950 54.000 0.206 0.000 0.870 371 D CB -0.503 40.361 40.800 0.107 0.000 0.917 371 D HN 0.173 nan 8.370 nan 0.000 0.524 372 F N 0.661 120.706 119.950 0.160 0.000 3.097 372 F HA -0.333 4.194 4.527 0.000 0.000 0.278 372 F C 0.404 176.276 175.800 0.120 0.000 0.917 372 F CA 0.670 58.769 58.000 0.166 0.000 0.962 372 F CB -2.512 36.563 39.000 0.124 0.000 0.964 372 F HN 0.001 nan 8.300 nan 0.000 0.668 373 N N -1.334 117.480 118.700 0.189 0.000 2.765 373 N HA -0.321 4.419 4.740 0.000 0.000 0.248 373 N C 0.261 175.851 175.510 0.133 0.000 1.063 373 N CA 1.403 54.535 53.050 0.136 0.000 0.862 373 N CB -1.743 36.818 38.487 0.122 0.000 1.145 373 N HN 0.830 nan 8.380 nan 0.000 0.581 374 N N -1.168 117.629 118.700 0.161 0.000 2.708 374 N HA -0.193 4.547 4.740 0.000 0.000 0.249 374 N C 0.738 176.305 175.510 0.095 0.000 1.097 374 N CA 0.852 53.977 53.050 0.126 0.000 0.710 374 N CB -1.045 37.502 38.487 0.101 0.000 1.032 374 N HN 0.661 nan 8.380 nan 0.000 0.551 375 G N 0.390 109.262 108.800 0.119 0.000 2.553 375 G HA2 0.435 4.395 3.960 0.000 0.000 0.278 375 G HA3 0.435 4.395 3.960 0.000 0.000 0.278 375 G C -2.127 172.796 174.900 0.038 0.000 1.349 375 G CA -0.629 44.529 45.100 0.097 0.000 1.037 375 G HN 0.053 nan 8.290 nan 0.000 0.508 376 P HA 0.192 nan 4.420 nan 0.000 0.274 376 P C -0.804 176.540 177.300 0.073 0.000 1.237 376 P CA -0.095 62.978 63.100 -0.046 0.000 0.793 376 P CB 1.143 32.622 31.700 -0.369 0.000 0.977 377 Q N 0.591 120.392 119.800 0.002 0.000 2.204 377 Q HA 0.618 4.958 4.340 0.000 0.000 0.254 377 Q C -0.803 175.288 176.000 0.151 0.000 0.981 377 Q CA -0.363 55.368 55.803 -0.121 0.000 0.897 377 Q CB 1.480 30.061 28.738 -0.263 0.000 1.273 377 Q HN 0.579 nan 8.270 nan 0.000 0.464 378 W N -1.746 119.584 121.300 0.049 0.000 2.959 378 W HA 0.618 5.278 4.660 0.000 0.000 0.358 378 W C -0.659 175.839 176.519 -0.035 0.000 1.228 378 W CA -1.445 55.903 57.345 0.005 0.000 1.183 378 W CB -0.040 29.429 29.460 0.016 0.000 1.467 378 W HN 0.669 nan 8.180 nan 0.000 0.578 379 G N 1.189 110.121 108.800 0.220 0.000 2.248 379 G HA2 0.420 4.380 3.960 0.000 0.000 0.260 379 G HA3 0.420 4.380 3.960 0.000 0.000 0.260 379 G C 0.916 175.829 174.900 0.022 0.000 1.214 379 G CA 0.637 45.772 45.100 0.058 0.000 0.979 379 G HN 2.174 nan 8.290 nan 0.000 0.454 380 G N 1.031 109.748 108.800 -0.138 0.000 2.141 380 G HA2 -0.216 3.744 3.960 0.000 0.000 0.242 380 G HA3 -0.216 3.744 3.960 0.000 0.000 0.242 380 G C -0.049 174.679 174.900 -0.287 0.000 0.982 380 G CA 0.703 45.684 45.100 -0.198 0.000 0.662 380 G HN 1.635 nan 8.290 nan 0.000 0.527 381 Y N -0.208 119.706 120.300 -0.643 0.000 2.317 381 Y HA 0.515 5.065 4.550 0.000 0.000 0.329 381 Y C 0.718 176.063 175.900 -0.924 0.000 1.101 381 Y CA -0.218 57.318 58.100 -0.940 0.000 1.228 381 Y CB 1.157 38.660 38.460 -1.595 0.000 1.123 381 Y HN 0.287 nan 8.280 nan 0.000 0.457 382 G N 2.364 110.388 108.800 -1.294 0.000 3.228 382 G HA2 0.268 4.228 3.960 0.000 0.000 0.245 382 G HA3 0.268 4.228 3.960 0.000 0.000 0.245 382 G C 1.213 175.275 174.900 -1.397 0.000 1.051 382 G CA 0.421 44.833 45.100 -1.146 0.000 0.809 382 G HN 0.806 nan 8.290 nan 0.000 0.531 383 A N 1.573 123.228 122.820 -1.942 0.000 1.873 383 A HA 0.046 4.367 4.320 0.000 0.000 0.218 383 A C -0.622 176.269 177.584 -1.156 0.000 1.193 383 A CA 1.075 51.894 52.037 -2.030 0.000 0.629 383 A CB -1.199 16.235 19.000 -2.609 0.000 0.826 383 A HN 0.380 nan 8.150 nan 0.000 0.447 384 P HA 0.082 nan 4.420 nan 0.000 0.275 384 P C -0.598 176.608 177.300 -0.156 0.000 1.227 384 P CA 0.092 63.058 63.100 -0.223 0.000 0.781 384 P CB 0.295 31.962 31.700 -0.055 0.000 0.906 385 H N 1.892 120.924 119.070 -0.064 0.000 2.610 385 H HA 0.166 4.722 4.556 0.000 0.000 0.336 385 H C 1.667 176.962 175.328 -0.055 0.000 1.087 385 H CA 0.523 56.531 56.048 -0.066 0.000 1.405 385 H CB 1.095 30.854 29.762 -0.006 0.000 1.460 385 H HN 0.581 nan 8.280 nan 0.000 0.538 386 G N 3.494 112.292 108.800 -0.003 0.000 2.471 386 G HA2 -0.137 3.823 3.960 0.000 0.000 0.219 386 G HA3 -0.137 3.823 3.960 0.000 0.000 0.219 386 G C 0.285 175.278 174.900 0.156 0.000 1.125 386 G CA 0.402 45.524 45.100 0.036 0.000 0.775 386 G HN 0.547 nan 8.290 nan 0.000 0.548 387 T N 2.842 117.619 114.554 0.371 0.000 2.743 387 T HA 0.430 4.780 4.350 0.000 0.000 0.293 387 T C -2.543 172.192 174.700 0.058 0.000 0.945 387 T CA -1.103 61.088 62.100 0.152 0.000 1.030 387 T CB 1.949 70.864 68.868 0.078 0.000 0.912 387 T HN -0.091 nan 8.240 nan 0.000 0.483 388 P HA 0.237 nan 4.420 nan 0.000 0.265 388 P C 1.076 178.380 177.300 0.008 0.000 1.193 388 P CA 0.702 63.822 63.100 0.034 0.000 0.765 388 P CB 0.366 32.086 31.700 0.033 0.000 0.823 389 G N 1.061 109.868 108.800 0.011 0.000 2.175 389 G HA2 -0.213 3.747 3.960 0.000 0.000 0.244 389 G HA3 -0.213 3.747 3.960 0.000 0.000 0.244 389 G C -0.328 174.560 174.900 -0.021 0.000 0.982 389 G CA -0.301 44.800 45.100 0.002 0.000 0.641 389 G HN 0.446 nan 8.290 nan 0.000 0.527 390 L N 0.482 121.664 121.223 -0.068 0.000 2.333 390 L HA 0.823 5.164 4.340 0.000 0.000 0.269 390 L C 0.332 177.184 176.870 -0.029 0.000 1.010 390 L CA -0.579 54.169 54.840 -0.152 0.000 0.818 390 L CB 2.319 44.066 42.059 -0.520 0.000 1.306 390 L HN 0.057 nan 8.230 nan 0.000 0.430 391 T N 0.808 115.388 114.554 0.042 0.000 2.885 391 T HA 0.384 4.734 4.350 0.000 0.000 0.285 391 T C -0.319 174.500 174.700 0.198 0.000 1.019 391 T CA -0.816 61.407 62.100 0.205 0.000 1.010 391 T CB 1.314 70.371 68.868 0.315 0.000 1.022 391 T HN 0.336 nan 8.240 nan 0.000 0.466 392 K N 1.687 122.280 120.400 0.322 0.000 2.414 392 K HA 0.100 4.420 4.320 0.000 0.000 0.272 392 K C 0.747 177.420 176.600 0.123 0.000 0.993 392 K CA -0.084 56.386 56.287 0.304 0.000 0.964 392 K CB 0.394 33.112 32.500 0.363 0.000 0.925 392 K HN 0.538 nan 8.250 nan 0.000 0.487 393 F N 0.998 120.826 119.950 -0.203 0.000 2.134 393 F HA -0.121 4.406 4.527 0.000 0.000 0.299 393 F C 1.034 176.647 175.800 -0.310 0.000 1.097 393 F CA 2.027 59.681 58.000 -0.576 0.000 1.264 393 F CB 0.321 38.966 39.000 -0.592 0.000 1.001 393 F HN 0.703 nan 8.300 nan 0.000 0.479 394 G N -2.076 106.776 108.800 0.088 0.000 2.328 394 G HA2 0.342 4.303 3.960 0.000 0.000 0.299 394 G HA3 0.342 4.303 3.960 0.000 0.000 0.299 394 G C -2.259 172.725 174.900 0.140 0.000 1.435 394 G CA -0.491 44.595 45.100 -0.023 0.000 0.865 394 G HN 0.418 nan 8.290 nan 0.000 0.601 395 W N -2.705 118.638 121.300 0.071 0.000 3.062 395 W HA 0.676 5.336 4.660 0.000 0.000 0.336 395 W C -0.564 176.090 176.519 0.226 0.000 1.224 395 W CA -1.860 55.514 57.345 0.050 0.000 1.159 395 W CB 0.690 30.065 29.460 -0.142 0.000 1.454 395 W HN 0.919 nan 8.180 nan 0.000 0.569 396 W N 1.502 122.869 121.300 0.112 0.000 5.770 396 W HA -0.253 4.408 4.660 0.000 0.000 0.389 396 W C -0.030 176.551 176.519 0.104 0.000 1.469 396 W CA -0.391 56.973 57.345 0.032 0.000 0.975 396 W CB -2.102 27.255 29.460 -0.171 0.000 2.622 396 W HN 0.442 nan 8.180 nan 0.000 1.500 397 M N 0.923 120.676 119.600 0.255 0.000 3.586 397 M HA 0.101 4.581 4.480 0.000 0.000 0.225 397 M C 1.522 177.935 176.300 0.188 0.000 1.428 397 M CA 0.725 56.152 55.300 0.211 0.000 1.613 397 M CB -0.106 32.538 32.600 0.074 0.000 1.063 397 M HN 0.115 nan 8.290 nan 0.000 0.593 398 S N -0.564 115.277 115.700 0.235 0.000 2.470 398 S HA 0.256 4.727 4.470 0.000 0.000 0.222 398 S C 0.972 175.652 174.600 0.133 0.000 1.024 398 S CA -0.201 58.097 58.200 0.164 0.000 0.931 398 S CB 0.283 63.584 63.200 0.170 0.000 0.791 398 S HN 0.554 nan 8.310 nan 0.000 0.513 399 A N 1.767 124.674 122.820 0.145 0.000 2.252 399 A HA 0.743 5.063 4.320 0.000 0.000 0.309 399 A C -0.606 177.066 177.584 0.148 0.000 1.285 399 A CA -0.609 51.491 52.037 0.105 0.000 0.900 399 A CB 0.837 19.865 19.000 0.046 0.000 1.157 399 A HN 0.627 nan 8.150 nan 0.000 0.536 400 V N 4.298 124.293 119.914 0.135 0.000 2.808 400 V HA 0.730 4.850 4.120 0.000 0.000 0.308 400 V C -1.857 174.306 176.094 0.115 0.000 1.099 400 V CA -0.650 61.745 62.300 0.158 0.000 0.920 400 V CB 1.980 33.909 31.823 0.176 0.000 1.014 400 V HN 1.008 nan 8.190 nan 0.000 0.425 401 L N 7.026 128.306 121.223 0.094 0.000 2.439 401 L HA 0.668 5.008 4.340 0.000 0.000 0.270 401 L C -0.811 176.068 176.870 0.016 0.000 0.972 401 L CA -0.048 54.825 54.840 0.056 0.000 0.836 401 L CB 1.809 43.896 42.059 0.047 0.000 1.255 401 L HN 0.650 nan 8.230 nan 0.000 0.404 402 I N 4.450 125.040 120.570 0.034 0.000 2.379 402 I HA 0.143 4.313 4.170 0.000 0.000 0.290 402 I C 0.140 176.268 176.117 0.019 0.000 1.063 402 I CA -0.282 61.029 61.300 0.018 0.000 1.351 402 I CB 0.563 38.584 38.000 0.035 0.000 1.410 402 I HN 0.603 nan 8.210 nan 0.000 0.505 403 D N 10.542 130.945 120.400 0.006 0.000 2.451 403 D HA -0.003 4.637 4.640 0.000 0.000 0.254 403 D C -1.240 175.117 176.300 0.095 0.000 1.204 403 D CA -1.754 52.301 54.000 0.090 0.000 0.896 403 D CB 1.179 42.102 40.800 0.205 0.000 1.136 403 D HN 0.298 nan 8.370 nan 0.000 0.499 404 P HA -0.132 nan 4.420 nan 0.000 0.221 404 P C 0.778 177.888 177.300 -0.316 0.000 1.145 404 P CA 0.917 63.953 63.100 -0.106 0.000 0.795 404 P CB -0.006 31.631 31.700 -0.104 0.000 0.775 405 F N -1.140 118.865 119.950 0.091 0.000 2.653 405 F HA 0.295 4.822 4.527 0.000 0.000 0.304 405 F C 0.765 176.613 175.800 0.080 0.000 1.092 405 F CA -0.148 57.901 58.000 0.082 0.000 1.279 405 F CB 0.133 39.183 39.000 0.083 0.000 1.044 405 F HN -0.107 nan 8.300 nan 0.000 0.564 406 N N 0.031 118.847 118.700 0.194 0.000 2.747 406 N HA 0.207 4.947 4.740 0.000 0.000 0.262 406 N C -2.715 172.873 175.510 0.129 0.000 1.261 406 N CA -1.615 51.528 53.050 0.155 0.000 0.809 406 N CB 1.393 39.986 38.487 0.176 0.000 1.450 406 N HN -0.264 nan 8.380 nan 0.000 0.560 407 P HA 0.082 nan 4.420 nan 0.000 0.242 407 P C 0.532 177.869 177.300 0.063 0.000 1.197 407 P CA 0.623 63.755 63.100 0.053 0.000 0.765 407 P CB 0.513 32.228 31.700 0.025 0.000 0.936 408 E N -1.583 118.665 120.200 0.081 0.000 2.478 408 E HA -0.048 4.302 4.350 0.000 0.000 0.194 408 E C 0.344 177.014 176.600 0.116 0.000 1.045 408 E CA 0.270 56.715 56.400 0.074 0.000 0.868 408 E CB -0.400 29.337 29.700 0.062 0.000 0.885 408 E HN 0.494 nan 8.360 nan 0.000 0.505 409 H N 0.507 119.593 119.070 0.027 0.000 2.640 409 H HA 0.361 4.917 4.556 0.000 0.000 0.297 409 H C -0.882 174.468 175.328 0.037 0.000 1.073 409 H CA -0.400 55.664 56.048 0.027 0.000 1.305 409 H CB 0.335 30.123 29.762 0.045 0.000 1.404 409 H HN -0.015 nan 8.280 nan 0.000 0.459 410 L N 6.131 127.287 121.223 -0.112 0.000 2.346 410 L HA 0.460 4.800 4.340 0.000 0.000 0.276 410 L C -1.340 175.452 176.870 -0.130 0.000 1.006 410 L CA -0.723 54.058 54.840 -0.098 0.000 0.817 410 L CB 1.523 43.648 42.059 0.110 0.000 1.272 410 L HN 0.679 nan 8.230 nan 0.000 0.421 411 M N 5.331 124.862 119.600 -0.116 0.000 2.465 411 M HA 0.455 4.935 4.480 0.000 0.000 0.316 411 M C -1.556 174.832 176.300 0.146 0.000 1.121 411 M CA -0.591 54.685 55.300 -0.040 0.000 0.934 411 M CB 1.952 34.481 32.600 -0.119 0.000 1.692 411 M HN 0.501 nan 8.290 nan 0.000 0.444 412 Y N -0.309 120.052 120.300 0.102 0.000 2.492 412 Y HA 0.921 5.472 4.550 0.000 0.000 0.346 412 Y C -0.262 175.684 175.900 0.075 0.000 0.997 412 Y CA -1.400 56.756 58.100 0.093 0.000 1.025 412 Y CB 0.863 39.390 38.460 0.111 0.000 1.263 412 Y HN 0.733 nan 8.280 nan 0.000 0.454 413 G N 1.005 109.927 108.800 0.203 0.000 2.562 413 G HA2 0.535 4.495 3.960 0.000 0.000 0.275 413 G HA3 0.535 4.495 3.960 0.000 0.000 0.275 413 G C -0.484 174.563 174.900 0.244 0.000 1.196 413 G CA 0.000 45.175 45.100 0.126 0.000 0.908 413 G HN 1.165 nan 8.290 nan 0.000 0.524 414 T N -3.820 110.820 114.554 0.144 0.000 2.654 414 T HA 0.529 4.879 4.350 0.000 0.000 0.289 414 T C 1.241 176.002 174.700 0.101 0.000 1.062 414 T CA 0.327 62.429 62.100 0.004 0.000 1.041 414 T CB 1.283 69.969 68.868 -0.304 0.000 1.417 414 T HN 0.922 nan 8.240 nan 0.000 0.510 415 G N -0.762 107.885 108.800 -0.255 0.000 2.920 415 G HA2 0.426 4.386 3.960 0.000 0.000 0.208 415 G HA3 0.426 4.386 3.960 0.000 0.000 0.208 415 G C 0.927 175.940 174.900 0.190 0.000 1.159 415 G CA 0.559 45.698 45.100 0.065 0.000 0.784 415 G HN 1.211 nan 8.290 nan 0.000 0.535 416 A N -1.711 121.161 122.820 0.086 0.000 2.263 416 A HA 0.593 4.913 4.320 0.000 0.000 0.200 416 A C 0.660 178.356 177.584 0.188 0.000 1.428 416 A CA 1.161 53.365 52.037 0.280 0.000 1.050 416 A CB 0.875 20.186 19.000 0.518 0.000 1.226 416 A HN 0.307 nan 8.150 nan 0.000 0.501 417 T N -1.278 113.283 114.554 0.011 0.000 2.658 417 T HA 0.549 4.899 4.350 0.000 0.000 0.305 417 T C -2.108 172.484 174.700 -0.181 0.000 1.551 417 T CA -0.284 61.746 62.100 -0.117 0.000 0.985 417 T CB 0.790 69.479 68.868 -0.299 0.000 1.731 417 T HN 0.207 nan 8.240 nan 0.000 0.486 418 I N 1.705 122.111 120.570 -0.273 0.000 2.418 418 I HA 0.474 4.644 4.170 0.000 0.000 0.287 418 I C -1.142 174.724 176.117 -0.419 0.000 1.008 418 I CA -0.563 60.577 61.300 -0.267 0.000 1.104 418 I CB 1.554 39.466 38.000 -0.147 0.000 1.264 418 I HN 0.560 nan 8.210 nan 0.000 0.438 419 W N 5.462 126.378 121.300 -0.640 0.000 2.449 419 W HA 0.765 5.425 4.660 0.000 0.000 0.331 419 W C 0.058 176.245 176.519 -0.553 0.000 1.119 419 W CA -0.247 56.658 57.345 -0.734 0.000 1.240 419 W CB 1.741 30.443 29.460 -1.262 0.000 1.251 419 W HN 0.446 nan 8.180 nan 0.000 0.576 420 A N 1.417 124.152 122.820 -0.142 0.000 2.587 420 A HA 0.781 5.101 4.320 0.000 0.000 0.293 420 A C -1.160 176.196 177.584 -0.381 0.000 1.087 420 A CA -0.608 51.281 52.037 -0.248 0.000 0.692 420 A CB 2.009 20.756 19.000 -0.423 0.000 1.291 420 A HN 0.391 nan 8.150 nan 0.000 0.407 421 T N -0.781 113.593 114.554 -0.299 0.000 2.906 421 T HA 0.552 4.902 4.350 0.000 0.000 0.295 421 T C -1.071 173.656 174.700 0.045 0.000 1.061 421 T CA -0.404 61.469 62.100 -0.378 0.000 1.000 421 T CB 1.352 69.583 68.868 -1.061 0.000 1.103 421 T HN 0.460 nan 8.240 nan 0.000 0.486 422 D N 1.669 122.128 120.400 0.100 0.000 2.440 422 D HA 0.173 4.814 4.640 0.000 0.000 0.216 422 D C 0.730 177.047 176.300 0.029 0.000 1.150 422 D CA 0.219 54.284 54.000 0.109 0.000 0.832 422 D CB 0.765 41.617 40.800 0.086 0.000 0.992 422 D HN 0.662 nan 8.370 nan 0.000 0.502 423 T N -1.420 113.104 114.554 -0.050 0.000 3.633 423 T HA 0.123 4.473 4.350 0.000 0.000 0.278 423 T C 1.190 175.847 174.700 -0.072 0.000 0.991 423 T CA -0.394 61.682 62.100 -0.040 0.000 1.036 423 T CB -0.030 68.821 68.868 -0.028 0.000 1.148 423 T HN -0.153 nan 8.240 nan 0.000 0.501 424 L N 1.862 123.044 121.223 -0.069 0.000 2.042 424 L HA 0.036 4.377 4.340 0.000 0.000 0.210 424 L C 2.264 179.144 176.870 0.017 0.000 1.076 424 L CA 1.784 56.601 54.840 -0.039 0.000 0.749 424 L CB -0.847 41.216 42.059 0.006 0.000 0.893 424 L HN 0.417 nan 8.230 nan 0.000 0.432 425 S N -0.659 115.054 115.700 0.021 0.000 2.547 425 S HA -0.070 4.400 4.470 0.000 0.000 0.235 425 S C 1.821 176.436 174.600 0.024 0.000 0.980 425 S CA 0.121 58.333 58.200 0.019 0.000 0.941 425 S CB -0.401 62.806 63.200 0.011 0.000 0.763 425 S HN 0.416 nan 8.310 nan 0.000 0.532 426 R N 0.978 121.517 120.500 0.066 0.000 2.133 426 R HA -0.137 4.203 4.340 0.000 0.000 0.247 426 R C 2.305 178.656 176.300 0.084 0.000 1.151 426 R CA 1.743 57.927 56.100 0.140 0.000 0.971 426 R CB -1.330 29.096 30.300 0.210 0.000 0.866 426 R HN 0.585 nan 8.270 nan 0.000 0.447 427 V N -0.738 119.216 119.914 0.066 0.000 2.867 427 V HA -0.116 4.004 4.120 0.000 0.000 0.260 427 V C 1.759 177.839 176.094 -0.023 0.000 1.099 427 V CA 1.444 63.772 62.300 0.045 0.000 1.122 427 V CB -0.334 31.530 31.823 0.069 0.000 0.708 427 V HN 0.020 nan 8.190 nan 0.000 0.490 428 E N 1.505 121.671 120.200 -0.057 0.000 2.153 428 E HA -0.129 4.221 4.350 0.000 0.000 0.194 428 E C 1.906 178.397 176.600 -0.182 0.000 0.988 428 E CA 1.346 57.688 56.400 -0.098 0.000 0.811 428 E CB -0.256 29.389 29.700 -0.093 0.000 0.746 428 E HN 0.703 nan 8.360 nan 0.000 0.466 429 K N 0.543 120.757 120.400 -0.311 0.000 2.387 429 K HA 0.024 4.344 4.320 0.000 0.000 0.198 429 K C -0.365 175.977 176.600 -0.430 0.000 1.022 429 K CA 0.022 55.976 56.287 -0.556 0.000 1.128 429 K CB 0.554 32.305 32.500 -1.249 0.000 0.853 429 K HN -0.027 nan 8.250 nan 0.000 0.523 430 D N -0.314 119.994 120.400 -0.152 0.000 3.012 430 D HA -0.182 4.459 4.640 0.000 0.000 0.222 430 D C -0.504 175.932 176.300 0.226 0.000 1.167 430 D CA 0.956 54.968 54.000 0.019 0.000 0.854 430 D CB -0.638 40.179 40.800 0.028 0.000 1.107 430 D HN 0.227 nan 8.370 nan 0.000 0.421 431 W N 0.752 122.066 121.300 0.023 0.000 2.298 431 W HA 0.646 5.307 4.660 0.000 0.000 0.358 431 W C 0.667 177.214 176.519 0.047 0.000 1.241 431 W CA -1.051 56.313 57.345 0.031 0.000 1.385 431 W CB 0.267 29.743 29.460 0.026 0.000 1.225 431 W HN -0.063 nan 8.180 nan 0.000 0.654 432 A N 2.926 125.922 122.820 0.294 0.000 2.276 432 A HA 0.655 4.975 4.320 0.000 0.000 0.316 432 A C -2.364 175.327 177.584 0.179 0.000 1.229 432 A CA -1.534 50.641 52.037 0.230 0.000 0.851 432 A CB 0.029 19.151 19.000 0.202 0.000 1.165 432 A HN 0.208 nan 8.150 nan 0.000 0.513 433 P HA 0.173 nan 4.420 nan 0.000 0.271 433 P C -0.266 176.927 177.300 -0.179 0.000 1.216 433 P CA 0.108 63.134 63.100 -0.123 0.000 0.776 433 P CB 0.757 32.212 31.700 -0.408 0.000 0.881 434 S N 1.977 117.581 115.700 -0.160 0.000 2.548 434 S HA 0.277 4.748 4.470 0.000 0.000 0.277 434 S C -0.610 173.878 174.600 -0.187 0.000 1.315 434 S CA -0.251 57.923 58.200 -0.043 0.000 1.050 434 S CB -0.025 63.198 63.200 0.038 0.000 0.918 434 S HN 0.361 nan 8.310 nan 0.000 0.497 435 W N 1.789 123.163 121.300 0.124 0.000 2.719 435 W HA 0.668 5.328 4.660 0.000 0.000 0.352 435 W C -0.402 176.242 176.519 0.210 0.000 1.085 435 W CA -0.736 56.642 57.345 0.055 0.000 1.187 435 W CB 0.899 30.217 29.460 -0.237 0.000 1.417 435 W HN 0.776 nan 8.180 nan 0.000 0.557 436 Y N -1.599 118.925 120.300 0.374 0.000 2.744 436 Y HA 0.737 5.287 4.550 0.000 0.000 0.330 436 Y C -1.486 174.435 175.900 0.035 0.000 1.263 436 Y CA -2.199 56.007 58.100 0.176 0.000 1.065 436 Y CB 0.645 39.165 38.460 0.100 0.000 1.306 436 Y HN 0.200 nan 8.280 nan 0.000 0.459 437 L N 2.306 123.524 121.223 -0.008 0.000 2.257 437 L HA 0.424 4.765 4.340 0.000 0.000 0.290 437 L C -0.035 176.909 176.870 0.123 0.000 1.044 437 L CA -0.409 54.311 54.840 -0.200 0.000 0.810 437 L CB 1.481 43.398 42.059 -0.237 0.000 1.193 437 L HN 0.713 nan 8.230 nan 0.000 0.425 438 Q N 3.067 122.875 119.800 0.012 0.000 3.035 438 Q HA 0.203 4.543 4.340 0.000 0.000 0.354 438 Q C 0.239 176.383 176.000 0.240 0.000 1.247 438 Q CA -0.076 55.818 55.803 0.152 0.000 1.068 438 Q CB 0.483 29.253 28.738 0.054 0.000 1.424 438 Q HN 0.719 nan 8.270 nan 0.000 0.486 439 I N -0.103 120.538 120.570 0.118 0.000 4.439 439 I HA 0.131 4.301 4.170 0.000 0.000 0.331 439 I C -0.236 175.910 176.117 0.050 0.000 1.345 439 I CA -0.074 61.281 61.300 0.093 0.000 1.193 439 I CB 0.859 38.833 38.000 -0.043 0.000 1.221 439 I HN 0.265 nan 8.210 nan 0.000 0.429 440 D N 0.885 121.133 120.400 -0.253 0.000 2.487 440 D HA 0.356 4.996 4.640 0.000 0.000 0.243 440 D C 1.319 177.616 176.300 -0.005 0.000 1.154 440 D CA 1.698 55.399 54.000 -0.497 0.000 0.876 440 D CB 0.504 40.781 40.800 -0.872 0.000 1.161 440 D HN 0.479 nan 8.370 nan 0.000 0.478 441 G N 3.538 112.366 108.800 0.047 0.000 2.279 441 G HA2 -0.232 3.728 3.960 0.000 0.000 0.223 441 G HA3 -0.232 3.728 3.960 0.000 0.000 0.223 441 G C 0.636 175.634 174.900 0.163 0.000 1.015 441 G CA -0.024 45.174 45.100 0.163 0.000 0.621 441 G HN 0.561 nan 8.290 nan 0.000 0.506 442 I N 2.081 122.623 120.570 -0.047 0.000 2.471 442 I HA 0.351 4.521 4.170 0.000 0.000 0.286 442 I C -0.397 175.705 176.117 -0.024 0.000 1.079 442 I CA 0.123 61.197 61.300 -0.377 0.000 1.398 442 I CB 0.940 38.484 38.000 -0.761 0.000 1.403 442 I HN 0.020 nan 8.210 nan 0.000 0.530 443 E N 6.895 127.173 120.200 0.130 0.000 2.279 443 E HA 0.186 4.537 4.350 0.000 0.000 0.252 443 E C -0.293 176.404 176.600 0.161 0.000 0.894 443 E CA -0.137 56.350 56.400 0.145 0.000 0.785 443 E CB 1.842 31.636 29.700 0.157 0.000 1.237 443 E HN 0.593 nan 8.360 nan 0.000 0.418 444 E N 2.360 122.625 120.200 0.108 0.000 2.630 444 E HA 0.106 4.456 4.350 0.000 0.000 0.218 444 E C -0.507 176.141 176.600 0.079 0.000 0.977 444 E CA -0.135 56.330 56.400 0.109 0.000 1.038 444 E CB 0.464 30.221 29.700 0.095 0.000 1.051 444 E HN 0.363 nan 8.360 nan 0.000 0.487 445 N N 0.572 119.300 118.700 0.047 0.000 2.508 445 N HA 0.193 4.934 4.740 0.000 0.000 0.264 445 N C -0.646 174.881 175.510 0.028 0.000 1.216 445 N CA 0.102 53.163 53.050 0.019 0.000 0.943 445 N CB 1.201 39.663 38.487 -0.042 0.000 1.113 445 N HN 0.082 nan 8.380 nan 0.000 0.447 446 A N 2.531 125.371 122.820 0.034 0.000 2.269 446 A HA 0.334 4.655 4.320 0.000 0.000 0.302 446 A C -0.313 177.281 177.584 0.016 0.000 1.266 446 A CA -0.557 51.500 52.037 0.033 0.000 0.894 446 A CB -0.093 18.939 19.000 0.054 0.000 1.147 446 A HN 0.505 nan 8.150 nan 0.000 0.537 447 I N 3.695 124.269 120.570 0.006 0.000 2.395 447 I HA 0.172 4.342 4.170 0.000 0.000 0.289 447 I C 0.753 176.877 176.117 0.011 0.000 1.023 447 I CA 0.142 61.442 61.300 -0.001 0.000 1.350 447 I CB 1.058 39.050 38.000 -0.014 0.000 1.409 447 I HN 0.697 nan 8.210 nan 0.000 0.507 448 L N 3.251 124.486 121.223 0.020 0.000 2.685 448 L HA 0.232 4.572 4.340 0.000 0.000 0.235 448 L C 0.705 177.597 176.870 0.038 0.000 1.070 448 L CA 0.406 55.264 54.840 0.030 0.000 0.888 448 L CB 0.458 42.537 42.059 0.033 0.000 1.203 448 L HN 0.642 nan 8.230 nan 0.000 0.499 449 S N -0.006 115.718 115.700 0.040 0.000 2.537 449 S HA 0.711 5.182 4.470 0.000 0.000 0.271 449 S C -1.548 173.076 174.600 0.040 0.000 1.148 449 S CA -0.473 57.757 58.200 0.050 0.000 0.868 449 S CB 1.405 64.645 63.200 0.067 0.000 1.115 449 S HN 0.044 nan 8.310 nan 0.000 0.461 450 L N 2.906 124.149 121.223 0.034 0.000 2.431 450 L HA 0.721 5.061 4.340 0.000 0.000 0.266 450 L C -0.620 176.262 176.870 0.021 0.000 0.978 450 L CA -0.795 54.046 54.840 0.001 0.000 0.822 450 L CB 2.346 44.386 42.059 -0.033 0.000 1.310 450 L HN 0.665 nan 8.230 nan 0.000 0.409 451 R N 1.276 121.781 120.500 0.008 0.000 2.538 451 R HA 0.466 4.806 4.340 0.000 0.000 0.292 451 R C -1.256 175.030 176.300 -0.024 0.000 1.008 451 R CA -0.178 55.936 56.100 0.023 0.000 0.896 451 R CB 2.102 32.441 30.300 0.064 0.000 1.187 451 R HN 0.529 nan 8.270 nan 0.000 0.440 452 S N 6.383 122.077 115.700 -0.009 0.000 2.420 452 S HA 0.536 5.006 4.470 0.000 0.000 0.313 452 S C -2.287 172.332 174.600 0.031 0.000 1.079 452 S CA -1.702 56.495 58.200 -0.004 0.000 1.104 452 S CB 0.774 64.036 63.200 0.102 0.000 0.969 452 S HN 0.512 nan 8.310 nan 0.000 0.471 453 P HA 0.296 nan 4.420 nan 0.000 0.274 453 P C -0.018 177.293 177.300 0.019 0.000 1.246 453 P CA -0.435 62.677 63.100 0.020 0.000 0.795 453 P CB 0.664 32.385 31.700 0.035 0.000 1.006 454 K N -0.476 119.902 120.400 -0.036 0.000 2.432 454 K HA 0.080 4.400 4.320 0.000 0.000 0.196 454 K C 0.691 177.352 176.600 0.101 0.000 1.038 454 K CA 0.641 56.896 56.287 -0.053 0.000 0.986 454 K CB 0.051 32.351 32.500 -0.333 0.000 0.782 454 K HN 0.611 nan 8.250 nan 0.000 0.485 455 S N -1.885 113.860 115.700 0.076 0.000 2.588 455 S HA 0.725 5.195 4.470 0.000 0.000 0.269 455 S C 0.125 174.767 174.600 0.071 0.000 1.157 455 S CA -0.502 57.756 58.200 0.098 0.000 0.824 455 S CB 1.945 65.202 63.200 0.096 0.000 1.126 455 S HN 0.296 nan 8.310 nan 0.000 0.464 456 G N 1.110 109.951 108.800 0.068 0.000 2.578 456 G HA2 0.364 4.324 3.960 0.000 0.000 0.232 456 G HA3 0.364 4.324 3.960 0.000 0.000 0.232 456 G C 0.320 175.254 174.900 0.057 0.000 1.176 456 G CA -0.026 45.107 45.100 0.054 0.000 0.968 456 G HN 2.110 nan 8.290 nan 0.000 0.583 457 A N 0.236 123.089 122.820 0.054 0.000 2.492 457 A HA 0.701 5.022 4.320 0.000 0.000 0.236 457 A C 2.002 179.618 177.584 0.053 0.000 1.078 457 A CA 1.460 53.531 52.037 0.056 0.000 0.773 457 A CB 0.114 19.154 19.000 0.068 0.000 1.023 457 A HN 2.477 nan 8.150 nan 0.000 0.504 458 A N 0.636 123.483 122.820 0.045 0.000 1.940 458 A HA 0.273 4.593 4.320 0.000 0.000 0.219 458 A C 0.702 178.253 177.584 -0.055 0.000 1.176 458 A CA 2.091 54.150 52.037 0.036 0.000 0.631 458 A CB -0.415 18.600 19.000 0.025 0.000 0.814 458 A HN 1.695 nan 8.150 nan 0.000 0.446 459 L N -2.389 118.778 121.223 -0.092 0.000 2.672 459 L HA 0.560 4.900 4.340 0.000 0.000 0.256 459 L C -1.893 174.986 176.870 0.016 0.000 0.946 459 L CA -0.340 54.361 54.840 -0.232 0.000 0.889 459 L CB 1.517 43.148 42.059 -0.713 0.000 1.441 459 L HN 0.143 nan 8.230 nan 0.000 0.418 460 L N 3.106 124.353 121.223 0.041 0.000 2.362 460 L HA 0.832 5.173 4.340 0.000 0.000 0.275 460 L C -0.302 176.663 176.870 0.159 0.000 0.998 460 L CA -0.445 54.525 54.840 0.217 0.000 0.820 460 L CB 2.132 44.348 42.059 0.261 0.000 1.270 460 L HN 0.744 nan 8.230 nan 0.000 0.415 461 S N 0.776 116.601 115.700 0.208 0.000 2.607 461 S HA 0.910 5.380 4.470 0.000 0.000 0.303 461 S C -0.293 174.400 174.600 0.156 0.000 1.086 461 S CA -0.706 57.565 58.200 0.117 0.000 0.995 461 S CB 2.091 65.353 63.200 0.103 0.000 1.084 461 S HN 0.735 nan 8.310 nan 0.000 0.507 462 G N 0.811 109.671 108.800 0.100 0.000 2.626 462 G HA2 0.678 4.639 3.960 0.000 0.000 0.304 462 G HA3 0.678 4.639 3.960 0.000 0.000 0.304 462 G C -1.070 173.859 174.900 0.049 0.000 1.385 462 G CA -0.807 44.357 45.100 0.107 0.000 0.957 462 G HN 0.762 nan 8.290 nan 0.000 0.504 463 I N 1.308 121.900 120.570 0.036 0.000 2.730 463 I HA 0.505 4.675 4.170 0.000 0.000 0.298 463 I C 0.807 176.937 176.117 0.022 0.000 1.089 463 I CA -1.201 60.097 61.300 -0.003 0.000 1.041 463 I CB 2.509 40.462 38.000 -0.078 0.000 1.235 463 I HN 0.556 nan 8.210 nan 0.000 0.423 464 G N 2.031 110.846 108.800 0.026 0.000 2.441 464 G HA2 0.238 4.198 3.960 0.000 0.000 0.243 464 G HA3 0.238 4.198 3.960 0.000 0.000 0.243 464 G C 0.225 175.164 174.900 0.066 0.000 1.281 464 G CA 0.241 45.372 45.100 0.051 0.000 0.854 464 G HN 1.041 nan 8.290 nan 0.000 0.560 465 N N -1.047 117.719 118.700 0.110 0.000 2.319 465 N HA -0.293 4.447 4.740 0.000 0.000 0.215 465 N C 1.294 176.982 175.510 0.297 0.000 1.091 465 N CA 1.762 54.920 53.050 0.180 0.000 2.762 465 N CB -0.943 37.638 38.487 0.157 0.000 0.823 465 N HN 0.776 nan 8.380 nan 0.000 0.453 466 I N -3.142 117.514 120.570 0.144 0.000 3.833 466 I HA 0.500 4.670 4.170 0.000 0.000 0.328 466 I C 0.973 177.068 176.117 -0.037 0.000 1.554 466 I CA 0.268 61.597 61.300 0.049 0.000 1.116 466 I CB 1.162 38.936 38.000 -0.378 0.000 1.182 466 I HN 0.308 nan 8.210 nan 0.000 0.459 467 S N 1.296 117.051 115.700 0.091 0.000 4.157 467 S HA -0.151 4.319 4.470 0.000 0.000 0.552 467 S C 0.568 175.195 174.600 0.045 0.000 1.867 467 S CA 1.471 59.755 58.200 0.140 0.000 4.248 467 S CB -1.674 61.620 63.200 0.156 0.000 0.222 467 S HN 1.610 nan 8.310 nan 0.000 0.457 468 G N 0.235 108.968 108.800 -0.111 0.000 2.451 468 G HA2 0.585 4.545 3.960 0.000 0.000 0.292 468 G HA3 0.585 4.545 3.960 0.000 0.000 0.292 468 G C -1.617 172.706 174.900 -0.961 0.000 1.427 468 G CA -0.132 44.788 45.100 -0.299 0.000 0.792 468 G HN 0.811 nan 8.290 nan 0.000 0.498 469 M N -0.228 118.765 119.600 -1.011 0.000 2.631 469 M HA 0.582 5.062 4.480 0.000 0.000 0.288 469 M C -0.395 175.376 176.300 -0.881 0.000 1.260 469 M CA -0.688 53.877 55.300 -1.224 0.000 0.842 469 M CB 2.657 34.697 32.600 -0.932 0.000 1.743 469 M HN 0.402 nan 8.290 nan 0.000 0.461 470 K N 1.057 121.158 120.400 -0.499 0.000 2.292 470 K HA 0.279 4.600 4.320 0.000 0.000 0.270 470 K C -1.099 175.390 176.600 -0.185 0.000 1.062 470 K CA -0.301 55.963 56.287 -0.038 0.000 0.916 470 K CB 0.415 33.040 32.500 0.208 0.000 1.166 470 K HN 0.661 nan 8.250 nan 0.000 0.458 471 H N 4.431 123.471 119.070 -0.049 0.000 3.014 471 H HA 0.021 4.577 4.556 0.000 0.000 0.266 471 H C -0.184 175.122 175.328 -0.036 0.000 1.455 471 H CA -0.230 55.781 56.048 -0.062 0.000 1.402 471 H CB 0.725 30.420 29.762 -0.111 0.000 1.626 471 H HN 0.695 nan 8.280 nan 0.000 0.520 472 D N 0.943 121.375 120.400 0.054 0.000 2.234 472 D HA -0.094 4.546 4.640 0.000 0.000 0.205 472 D C 0.294 176.624 176.300 0.051 0.000 0.962 472 D CA 1.332 55.360 54.000 0.047 0.000 0.855 472 D CB 0.526 41.344 40.800 0.031 0.000 0.951 472 D HN 0.473 nan 8.370 nan 0.000 0.500 473 D N 0.012 120.448 120.400 0.060 0.000 2.469 473 D HA 0.129 4.770 4.640 0.000 0.000 0.251 473 D C 1.094 177.450 176.300 0.093 0.000 1.173 473 D CA -0.402 53.637 54.000 0.065 0.000 0.882 473 D CB 1.151 41.984 40.800 0.055 0.000 1.129 473 D HN -0.122 nan 8.370 nan 0.000 0.549 474 L N 2.344 123.606 121.223 0.065 0.000 2.450 474 L HA -0.055 4.285 4.340 0.000 0.000 0.224 474 L C 2.066 179.026 176.870 0.151 0.000 1.149 474 L CA 1.340 56.210 54.840 0.049 0.000 0.816 474 L CB -0.469 41.498 42.059 -0.154 0.000 0.932 474 L HN 0.484 nan 8.230 nan 0.000 0.449 475 T N -4.231 110.412 114.554 0.149 0.000 3.107 475 T HA 0.116 4.466 4.350 0.000 0.000 0.249 475 T C 0.642 175.432 174.700 0.150 0.000 1.096 475 T CA -0.075 62.126 62.100 0.167 0.000 1.012 475 T CB 0.156 69.110 68.868 0.143 0.000 0.977 475 T HN 0.133 nan 8.240 nan 0.000 0.527 476 K N 1.737 122.214 120.400 0.129 0.000 2.468 476 K HA 0.475 4.795 4.320 0.000 0.000 0.252 476 K C -3.191 173.468 176.600 0.098 0.000 0.932 476 K CA -2.433 53.907 56.287 0.088 0.000 0.794 476 K CB 2.400 34.925 32.500 0.041 0.000 1.241 476 K HN -0.071 nan 8.250 nan 0.000 0.428 477 P HA -0.043 nan 4.420 nan 0.000 0.266 477 P C -0.790 176.550 177.300 0.066 0.000 1.193 477 P CA 0.093 63.271 63.100 0.131 0.000 0.770 477 P CB 0.616 32.357 31.700 0.068 0.000 0.836 478 Q N 1.421 121.271 119.800 0.083 0.000 2.418 478 Q HA 0.379 4.719 4.340 0.000 0.000 0.276 478 Q C -0.089 175.919 176.000 0.013 0.000 1.081 478 Q CA -0.945 54.838 55.803 -0.033 0.000 0.864 478 Q CB 1.223 29.825 28.738 -0.228 0.000 1.384 478 Q HN 0.311 nan 8.270 nan 0.000 0.467 479 K N 0.955 121.325 120.400 -0.050 0.000 2.326 479 K HA 0.186 4.506 4.320 0.000 0.000 0.275 479 K C 0.388 176.926 176.600 -0.103 0.000 1.018 479 K CA -0.151 56.119 56.287 -0.029 0.000 0.962 479 K CB 0.622 33.112 32.500 -0.018 0.000 0.953 479 K HN 0.596 nan 8.250 nan 0.000 0.475 480 M N 2.507 122.079 119.600 -0.046 0.000 2.245 480 M HA 0.050 4.530 4.480 0.000 0.000 0.330 480 M C -0.581 175.662 176.300 -0.095 0.000 1.098 480 M CA -0.106 55.111 55.300 -0.139 0.000 1.172 480 M CB 0.298 32.874 32.600 -0.041 0.000 1.467 480 M HN 0.241 nan 8.290 nan 0.000 0.454 481 F N 2.412 122.321 119.950 -0.068 0.000 2.602 481 F HA 0.226 4.753 4.527 0.000 0.000 0.367 481 F C 1.377 177.084 175.800 -0.154 0.000 1.126 481 F CA 0.300 58.238 58.000 -0.102 0.000 1.321 481 F CB -0.394 38.400 39.000 -0.344 0.000 1.094 481 F HN 0.663 nan 8.300 nan 0.000 0.594 482 G N 1.090 109.985 108.800 0.158 0.000 2.583 482 G HA2 0.398 4.358 3.960 0.000 0.000 0.275 482 G HA3 0.398 4.358 3.960 0.000 0.000 0.275 482 G C -0.400 174.408 174.900 -0.152 0.000 1.342 482 G CA -0.342 44.787 45.100 0.048 0.000 1.030 482 G HN 0.936 nan 8.290 nan 0.000 0.520 483 A N 0.666 123.426 122.820 -0.101 0.000 2.555 483 A HA 0.422 4.742 4.320 0.000 0.000 0.233 483 A C -1.471 175.869 177.584 -0.406 0.000 1.060 483 A CA -0.386 51.535 52.037 -0.194 0.000 0.759 483 A CB -0.276 18.637 19.000 -0.145 0.000 0.995 483 A HN 0.537 nan 8.150 nan 0.000 0.506 484 P HA 0.164 nan 4.420 nan 0.000 0.274 484 P C -0.762 176.363 177.300 -0.292 0.000 1.231 484 P CA -0.282 62.623 63.100 -0.325 0.000 0.790 484 P CB 0.590 32.171 31.700 -0.199 0.000 0.951 485 Q N 1.507 121.387 119.800 0.135 0.000 2.307 485 Q HA 0.310 4.650 4.340 0.000 0.000 0.259 485 Q C -1.325 174.884 176.000 0.348 0.000 0.998 485 Q CA 0.263 56.181 55.803 0.191 0.000 0.923 485 Q CB -0.305 28.640 28.738 0.346 0.000 1.196 485 Q HN 0.180 nan 8.270 nan 0.000 0.416 486 F N 1.162 121.188 119.950 0.127 0.000 2.425 486 F HA 0.304 4.832 4.527 0.000 0.000 0.331 486 F C 1.386 177.229 175.800 0.072 0.000 1.085 486 F CA -1.043 57.007 58.000 0.083 0.000 1.028 486 F CB 1.619 40.635 39.000 0.025 0.000 1.177 486 F HN 0.762 nan 8.300 nan 0.000 0.487 487 S N 1.223 117.040 115.700 0.196 0.000 2.327 487 S HA 0.069 4.539 4.470 0.000 0.000 0.213 487 S C 0.344 175.036 174.600 0.154 0.000 1.032 487 S CA 0.287 58.525 58.200 0.064 0.000 0.960 487 S CB -0.247 62.911 63.200 -0.070 0.000 0.900 487 S HN 0.532 nan 8.310 nan 0.000 0.469 488 N N 1.509 120.261 118.700 0.086 0.000 2.438 488 N HA 0.446 5.186 4.740 0.000 0.000 0.282 488 N C -1.430 174.071 175.510 -0.014 0.000 1.037 488 N CA -0.296 52.781 53.050 0.046 0.000 0.942 488 N CB 1.503 39.997 38.487 0.012 0.000 1.136 488 N HN 0.351 nan 8.380 nan 0.000 0.481 489 L N 2.378 123.647 121.223 0.075 0.000 2.255 489 L HA 0.267 4.607 4.340 0.000 0.000 0.289 489 L C 0.467 177.348 176.870 0.018 0.000 1.046 489 L CA -0.270 54.618 54.840 0.081 0.000 0.816 489 L CB 0.565 42.799 42.059 0.292 0.000 1.197 489 L HN 0.469 nan 8.230 nan 0.000 0.427 490 D N 1.636 122.004 120.400 -0.053 0.000 2.213 490 D HA 0.011 4.651 4.640 0.000 0.000 0.205 490 D C 0.213 176.529 176.300 0.027 0.000 0.961 490 D CA 0.729 54.726 54.000 -0.005 0.000 0.853 490 D CB 0.708 41.508 40.800 -0.000 0.000 0.967 490 D HN 0.396 nan 8.370 nan 0.000 0.496 491 S N -0.401 115.309 115.700 0.016 0.000 2.566 491 S HA 0.567 5.037 4.470 0.000 0.000 0.273 491 S C -1.534 173.085 174.600 0.032 0.000 1.157 491 S CA -0.706 57.512 58.200 0.030 0.000 0.938 491 S CB 1.153 64.364 63.200 0.018 0.000 1.087 491 S HN 0.087 nan 8.310 nan 0.000 0.474 492 I N 3.341 123.952 120.570 0.069 0.000 2.619 492 I HA 0.640 4.810 4.170 0.000 0.000 0.292 492 I C -1.749 174.429 176.117 0.102 0.000 1.100 492 I CA -0.263 61.093 61.300 0.093 0.000 1.043 492 I CB 1.937 40.024 38.000 0.145 0.000 1.239 492 I HN 0.664 nan 8.210 nan 0.000 0.420 493 D N 4.965 125.434 120.400 0.114 0.000 2.570 493 D HA 0.831 5.471 4.640 0.000 0.000 0.244 493 D C -1.670 174.700 176.300 0.118 0.000 1.178 493 D CA -0.295 53.775 54.000 0.116 0.000 0.881 493 D CB 2.574 43.453 40.800 0.131 0.000 1.453 493 D HN 0.689 nan 8.370 nan 0.000 0.447 494 A N 0.616 123.492 122.820 0.093 0.000 2.449 494 A HA 0.783 5.104 4.320 0.000 0.000 0.302 494 A C -0.605 177.016 177.584 0.062 0.000 1.048 494 A CA -0.288 51.797 52.037 0.080 0.000 0.708 494 A CB 1.405 20.441 19.000 0.059 0.000 1.274 494 A HN 0.653 nan 8.150 nan 0.000 0.410 495 A N 0.690 123.556 122.820 0.078 0.000 2.445 495 A HA 0.496 4.816 4.320 0.000 0.000 0.242 495 A C 1.417 179.005 177.584 0.006 0.000 1.075 495 A CA 0.348 52.424 52.037 0.065 0.000 0.777 495 A CB -0.033 19.047 19.000 0.133 0.000 1.013 495 A HN 1.859 nan 8.150 nan 0.000 0.493 496 G N 0.625 109.398 108.800 -0.046 0.000 2.403 496 G HA2 -0.161 3.799 3.960 0.000 0.000 0.216 496 G HA3 -0.161 3.799 3.960 0.000 0.000 0.216 496 G C 0.969 175.757 174.900 -0.187 0.000 1.154 496 G CA 0.872 45.894 45.100 -0.130 0.000 0.784 496 G HN 0.713 nan 8.290 nan 0.000 0.538 497 N N -0.185 118.390 118.700 -0.208 0.000 2.392 497 N HA 0.110 4.850 4.740 0.000 0.000 0.177 497 N C -0.509 174.451 175.510 -0.917 0.000 1.066 497 N CA 0.281 53.019 53.050 -0.520 0.000 0.895 497 N CB 0.317 38.457 38.487 -0.578 0.000 0.988 497 N HN 0.279 nan 8.380 nan 0.000 0.457 498 F N -0.269 119.684 119.950 0.004 0.000 2.769 498 F HA 0.379 4.906 4.527 0.000 0.000 0.358 498 F C -1.948 173.856 175.800 0.007 0.000 1.285 498 F CA -1.808 56.200 58.000 0.013 0.000 1.199 498 F CB 1.987 40.998 39.000 0.019 0.000 1.558 498 F HN -0.201 nan 8.300 nan 0.000 0.583 499 P HA -0.152 nan 4.420 nan 0.000 0.226 499 P C 1.360 178.698 177.300 0.063 0.000 1.146 499 P CA 1.108 64.239 63.100 0.053 0.000 0.773 499 P CB 0.091 31.802 31.700 0.018 0.000 0.772 500 N N -0.095 118.655 118.700 0.084 0.000 2.364 500 N HA -0.096 4.645 4.740 0.000 0.000 0.183 500 N C 0.611 176.126 175.510 0.008 0.000 1.022 500 N CA 0.641 53.713 53.050 0.036 0.000 0.883 500 N CB -0.908 37.605 38.487 0.045 0.000 0.965 500 N HN 0.137 nan 8.380 nan 0.000 0.438 501 V N 1.228 121.187 119.914 0.074 0.000 2.368 501 V HA 0.412 4.532 4.120 0.000 0.000 0.266 501 V C -0.457 175.689 176.094 0.086 0.000 1.045 501 V CA -0.536 61.816 62.300 0.087 0.000 0.899 501 V CB 0.864 32.782 31.823 0.159 0.000 1.006 501 V HN -0.049 nan 8.190 nan 0.000 0.470 502 V N 6.774 126.710 119.914 0.038 0.000 2.680 502 V HA 0.689 4.809 4.120 0.000 0.000 0.309 502 V C -0.039 176.182 176.094 0.211 0.000 1.052 502 V CA -0.199 62.145 62.300 0.075 0.000 0.908 502 V CB 2.011 33.817 31.823 -0.028 0.000 1.001 502 V HN 1.032 nan 8.190 nan 0.000 0.431 503 V N 2.695 122.758 119.914 0.248 0.000 2.769 503 V HA 0.908 5.028 4.120 0.000 0.000 0.312 503 V C -0.650 175.539 176.094 0.160 0.000 1.061 503 V CA -0.904 61.564 62.300 0.280 0.000 0.931 503 V CB 1.897 33.893 31.823 0.288 0.000 1.010 503 V HN 1.065 nan 8.190 nan 0.000 0.433 504 R N 2.703 123.228 120.500 0.041 0.000 2.698 504 R HA 0.945 5.285 4.340 0.000 0.000 0.275 504 R C -1.081 175.144 176.300 -0.124 0.000 1.001 504 R CA -0.555 55.509 56.100 -0.061 0.000 0.896 504 R CB 2.276 32.481 30.300 -0.158 0.000 1.218 504 R HN 1.319 nan 8.270 nan 0.000 0.462 505 A N 1.237 123.962 122.820 -0.159 0.000 2.374 505 A HA 0.879 5.199 4.320 0.000 0.000 0.305 505 A C -0.642 176.735 177.584 -0.345 0.000 1.053 505 A CA -0.254 51.641 52.037 -0.238 0.000 0.726 505 A CB 1.924 20.719 19.000 -0.341 0.000 1.229 505 A HN 1.027 nan 8.150 nan 0.000 0.431 506 G N -0.459 107.847 108.800 -0.824 0.000 2.815 506 G HA2 0.562 4.522 3.960 0.000 0.000 0.305 506 G HA3 0.562 4.522 3.960 0.000 0.000 0.305 506 G C -0.948 173.526 174.900 -0.711 0.000 1.277 506 G CA -0.075 44.386 45.100 -1.065 0.000 0.795 506 G HN 0.981 nan 8.290 nan 0.000 0.528 507 S N -0.602 114.771 115.700 -0.545 0.000 2.437 507 S HA 0.715 5.185 4.470 0.000 0.000 0.305 507 S C -0.551 173.931 174.600 -0.196 0.000 1.109 507 S CA -0.301 57.754 58.200 -0.242 0.000 1.099 507 S CB 1.066 64.213 63.200 -0.087 0.000 1.004 507 S HN 0.941 nan 8.310 nan 0.000 0.475 508 S N 2.492 118.028 115.700 -0.274 0.000 2.546 508 S HA 0.582 5.052 4.470 0.000 0.000 0.272 508 S C 0.551 174.563 174.600 -0.979 0.000 1.140 508 S CA -0.270 57.572 58.200 -0.595 0.000 0.920 508 S CB 1.219 64.294 63.200 -0.209 0.000 1.083 508 S HN 0.835 nan 8.310 nan 0.000 0.476 509 G N 1.788 109.245 108.800 -2.238 0.000 3.042 509 G HA2 0.152 4.112 3.960 0.000 0.000 0.212 509 G HA3 0.152 4.112 3.960 0.000 0.000 0.212 509 G C 0.241 174.568 174.900 -0.955 0.000 1.166 509 G CA 0.118 44.175 45.100 -1.738 0.000 0.767 509 G HN 0.750 nan 8.290 nan 0.000 0.546 510 H N 0.606 119.107 119.070 -0.949 0.000 2.482 510 H HA 0.551 5.107 4.556 0.000 0.000 0.344 510 H C -0.640 174.441 175.328 -0.412 0.000 1.151 510 H CA -0.469 55.286 56.048 -0.488 0.000 1.300 510 H CB 1.110 30.627 29.762 -0.408 0.000 1.494 510 H HN -0.110 nan 8.280 nan 0.000 0.542 511 E N 3.517 123.123 120.200 -0.989 0.000 2.158 511 E HA 0.156 4.506 4.350 0.000 0.000 0.271 511 E C -1.021 175.113 176.600 -0.776 0.000 0.911 511 E CA -0.495 55.516 56.400 -0.648 0.000 0.767 511 E CB 1.093 30.566 29.700 -0.379 0.000 1.120 511 E HN 0.506 nan 8.360 nan 0.000 0.405 512 Y N 0.597 120.782 120.300 -0.191 0.000 2.352 512 Y HA 0.182 4.732 4.550 0.000 0.000 0.326 512 Y C 0.674 176.548 175.900 -0.043 0.000 1.166 512 Y CA -0.786 57.280 58.100 -0.057 0.000 1.182 512 Y CB 0.915 39.403 38.460 0.046 0.000 1.216 512 Y HN 0.244 nan 8.280 nan 0.000 0.474 513 D N 1.135 121.620 120.400 0.141 0.000 2.458 513 D HA 0.035 4.675 4.640 0.000 0.000 0.243 513 D C 0.334 176.691 176.300 0.094 0.000 1.146 513 D CA 0.628 54.677 54.000 0.081 0.000 0.877 513 D CB 0.635 41.477 40.800 0.070 0.000 1.176 513 D HN 0.703 nan 8.370 nan 0.000 0.461 514 S N -0.800 114.939 115.700 0.066 0.000 3.445 514 S HA -0.117 4.354 4.470 0.000 0.000 0.319 514 S C 0.120 174.776 174.600 0.093 0.000 1.209 514 S CA 0.932 59.172 58.200 0.066 0.000 0.934 514 S CB -1.440 61.795 63.200 0.058 0.000 0.999 514 S HN 0.866 nan 8.310 nan 0.000 0.582 515 A N -0.800 122.089 122.820 0.114 0.000 2.606 515 A HA 0.754 5.074 4.320 0.000 0.000 0.293 515 A C -0.471 177.212 177.584 0.166 0.000 1.082 515 A CA -0.086 52.040 52.037 0.149 0.000 0.685 515 A CB 1.493 20.569 19.000 0.128 0.000 1.284 515 A HN 1.174 nan 8.150 nan 0.000 0.408 516 c N 1.848 120.568 118.600 0.199 0.000 2.264 516 c HA 0.651 5.221 4.570 0.000 0.000 0.322 516 c C 1.484 175.721 174.090 0.245 0.000 1.210 516 c CA 0.178 56.615 56.329 0.181 0.000 1.539 516 c CB -0.418 42.179 42.510 0.144 0.000 2.167 516 c HN 1.472 nan 8.230 nan 0.000 0.463 517 A N 4.854 127.829 122.820 0.259 0.000 2.259 517 A HA -0.072 4.248 4.320 0.000 0.000 0.212 517 A C 1.932 179.729 177.584 0.355 0.000 1.178 517 A CA 1.165 53.415 52.037 0.354 0.000 0.734 517 A CB -0.263 18.951 19.000 0.356 0.000 0.774 517 A HN 0.904 nan 8.150 nan 0.000 0.481 518 R N -0.813 119.851 120.500 0.273 0.000 2.297 518 R HA 0.278 4.619 4.340 0.000 0.000 0.197 518 R C 0.879 177.433 176.300 0.424 0.000 0.943 518 R CA 0.744 56.985 56.100 0.234 0.000 1.038 518 R CB 0.273 30.620 30.300 0.079 0.000 0.957 518 R HN 0.430 nan 8.270 nan 0.000 0.484 519 G N -1.471 107.651 108.800 0.537 0.000 2.704 519 G HA2 0.757 4.717 3.960 0.000 0.000 0.293 519 G HA3 0.757 4.717 3.960 0.000 0.000 0.293 519 G C -1.691 173.096 174.900 -0.188 0.000 1.421 519 G CA -0.104 45.197 45.100 0.335 0.000 0.870 519 G HN 0.148 nan 8.290 nan 0.000 0.492 520 A N -0.472 121.948 122.820 -0.667 0.000 2.599 520 A HA 0.914 5.234 4.320 0.000 0.000 0.290 520 A C -1.620 175.709 177.584 -0.425 0.000 1.101 520 A CA -0.709 50.861 52.037 -0.778 0.000 0.674 520 A CB 1.345 20.083 19.000 -0.436 0.000 1.277 520 A HN 2.135 nan 8.150 nan 0.000 0.419 521 Y N -1.701 118.480 120.300 -0.199 0.000 2.553 521 Y HA 0.900 5.450 4.550 0.000 0.000 0.347 521 Y C -0.314 175.569 175.900 -0.027 0.000 1.019 521 Y CA -0.882 57.270 58.100 0.086 0.000 1.032 521 Y CB 1.328 39.898 38.460 0.183 0.000 1.284 521 Y HN 1.356 nan 8.280 nan 0.000 0.466 522 A N 0.808 123.438 122.820 -0.317 0.000 2.423 522 A HA 0.695 5.015 4.320 0.000 0.000 0.304 522 A C 0.057 177.496 177.584 -0.242 0.000 1.104 522 A CA -0.328 51.315 52.037 -0.656 0.000 0.757 522 A CB 1.263 19.378 19.000 -1.475 0.000 1.313 522 A HN 1.245 nan 8.150 nan 0.000 0.423 523 T N -2.547 111.870 114.554 -0.228 0.000 3.170 523 T HA 0.217 4.567 4.350 0.000 0.000 0.288 523 T C -0.229 174.394 174.700 -0.128 0.000 0.992 523 T CA 0.531 62.571 62.100 -0.101 0.000 0.909 523 T CB -0.145 68.693 68.868 -0.050 0.000 1.133 523 T HN 0.609 nan 8.240 nan 0.000 0.530 524 D N 0.194 120.469 120.400 -0.208 0.000 2.501 524 D HA 0.377 5.017 4.640 0.000 0.000 0.224 524 D C 1.547 177.755 176.300 -0.153 0.000 1.202 524 D CA 0.120 54.024 54.000 -0.161 0.000 0.829 524 D CB -0.098 40.596 40.800 -0.178 0.000 1.023 524 D HN 0.474 nan 8.370 nan 0.000 0.499 525 G N -0.347 108.349 108.800 -0.173 0.000 2.254 525 G HA2 -0.035 3.925 3.960 0.000 0.000 0.225 525 G HA3 -0.035 3.925 3.960 0.000 0.000 0.225 525 G C 0.999 175.794 174.900 -0.175 0.000 1.003 525 G CA -0.048 44.983 45.100 -0.116 0.000 0.622 525 G HN 1.380 nan 8.290 nan 0.000 0.507 526 G N -0.720 107.847 108.800 -0.387 0.000 2.192 526 G HA2 0.114 4.074 3.960 0.000 0.000 0.152 526 G HA3 0.114 4.074 3.960 0.000 0.000 0.152 526 G C 0.132 174.828 174.900 -0.339 0.000 1.057 526 G CA 0.955 45.690 45.100 -0.608 0.000 0.748 526 G HN 0.409 nan 8.290 nan 0.000 0.488 527 D N 0.329 120.498 120.400 -0.385 0.000 2.652 527 D HA 0.341 4.981 4.640 0.000 0.000 0.261 527 D C 1.654 177.822 176.300 -0.219 0.000 1.024 527 D CA 1.137 55.057 54.000 -0.133 0.000 0.958 527 D CB 0.194 40.954 40.800 -0.066 0.000 1.113 527 D HN 0.633 nan 8.370 nan 0.000 0.471 528 A N 0.894 123.497 122.820 -0.362 0.000 2.269 528 A HA 0.437 4.757 4.320 0.000 0.000 0.302 528 A C -1.127 176.172 177.584 -0.475 0.000 1.266 528 A CA -0.376 51.495 52.037 -0.276 0.000 0.894 528 A CB -0.016 18.860 19.000 -0.206 0.000 1.147 528 A HN 0.082 nan 8.150 nan 0.000 0.537 529 W N 1.053 122.194 121.300 -0.265 0.000 2.570 529 W HA 0.536 5.197 4.660 0.000 0.000 0.337 529 W C 0.048 176.300 176.519 -0.444 0.000 1.067 529 W CA -0.213 56.900 57.345 -0.387 0.000 1.229 529 W CB 1.816 31.036 29.460 -0.401 0.000 1.355 529 W HN 0.517 nan 8.180 nan 0.000 0.555 530 T N 4.010 118.309 114.554 -0.426 0.000 2.749 530 T HA 0.441 4.791 4.350 0.000 0.000 0.287 530 T C 0.017 174.492 174.700 -0.375 0.000 0.970 530 T CA -0.602 61.207 62.100 -0.484 0.000 0.980 530 T CB 0.232 68.600 68.868 -0.834 0.000 0.924 530 T HN 0.101 nan 8.240 nan 0.000 0.456 531 I N 3.525 123.955 120.570 -0.232 0.000 2.556 531 I HA 0.140 4.311 4.170 0.000 0.000 0.284 531 I C 0.263 176.426 176.117 0.077 0.000 1.114 531 I CA -0.495 60.705 61.300 -0.167 0.000 1.418 531 I CB 0.132 38.000 38.000 -0.219 0.000 1.394 531 I HN 0.471 nan 8.210 nan 0.000 0.552 532 F N 8.236 128.338 119.950 0.253 0.000 2.623 532 F HA 0.052 4.579 4.527 0.000 0.000 0.383 532 F C -1.173 174.789 175.800 0.269 0.000 1.077 532 F CA -1.487 56.739 58.000 0.377 0.000 1.268 532 F CB -0.378 38.936 39.000 0.522 0.000 1.053 532 F HN 0.389 nan 8.300 nan 0.000 0.571 533 P HA -0.107 nan 4.420 nan 0.000 0.216 533 P C 0.150 177.598 177.300 0.247 0.000 1.153 533 P CA 1.978 65.240 63.100 0.271 0.000 0.858 533 P CB 0.079 31.907 31.700 0.213 0.000 0.789 534 T N -5.211 109.532 114.554 0.316 0.000 2.887 534 T HA 0.650 5.000 4.350 0.000 0.000 0.292 534 T C -0.748 174.158 174.700 0.344 0.000 1.087 534 T CA -0.811 61.437 62.100 0.247 0.000 1.009 534 T CB 1.182 70.161 68.868 0.185 0.000 1.203 534 T HN -0.108 nan 8.240 nan 0.000 0.518 535 c N 0.864 119.454 118.600 -0.015 0.000 3.044 535 c HA 0.783 5.354 4.570 0.000 0.000 0.315 535 c C -2.468 171.108 174.090 -0.857 0.000 1.320 535 c CA -1.424 54.557 56.329 -0.580 0.000 1.582 535 c CB 1.309 43.481 42.510 -0.563 0.000 2.039 535 c HN 0.758 nan 8.230 nan 0.000 0.466 536 P HA 0.180 nan 4.420 nan 0.000 0.268 536 P C -2.547 174.050 177.300 -1.173 0.000 1.208 536 P CA -0.361 61.800 63.100 -1.566 0.000 0.777 536 P CB -0.315 30.082 31.700 -2.172 0.000 0.875 537 P HA 0.048 nan 4.420 nan 0.000 0.267 537 P C 1.023 177.990 177.300 -0.554 0.000 1.200 537 P CA 1.173 63.913 63.100 -0.599 0.000 0.772 537 P CB 0.126 31.580 31.700 -0.410 0.000 0.855 538 G N 1.518 110.083 108.800 -0.392 0.000 2.241 538 G HA2 -0.229 3.731 3.960 0.000 0.000 0.244 538 G HA3 -0.229 3.731 3.960 0.000 0.000 0.244 538 G C 0.328 174.963 174.900 -0.441 0.000 0.998 538 G CA -0.263 44.639 45.100 -0.331 0.000 0.621 538 G HN 0.454 nan 8.290 nan 0.000 0.519 539 M N 2.642 121.877 119.600 -0.609 0.000 3.654 539 M HA 0.312 4.792 4.480 0.000 0.000 0.212 539 M C 0.581 176.662 176.300 -0.366 0.000 1.354 539 M CA -0.462 54.445 55.300 -0.655 0.000 1.564 539 M CB -1.160 30.870 32.600 -0.951 0.000 1.056 539 M HN 0.615 nan 8.290 nan 0.000 0.608 540 N N -0.269 118.290 118.700 -0.235 0.000 2.813 540 N HA 0.623 5.363 4.740 0.000 0.000 0.320 540 N C 0.941 176.374 175.510 -0.128 0.000 1.315 540 N CA -0.499 52.452 53.050 -0.165 0.000 0.871 540 N CB 0.142 38.542 38.487 -0.144 0.000 1.241 540 N HN 0.087 nan 8.380 nan 0.000 0.602 541 A N -0.562 122.164 122.820 -0.157 0.000 2.076 541 A HA -0.109 4.212 4.320 0.000 0.000 0.220 541 A C 1.839 179.355 177.584 -0.114 0.000 1.160 541 A CA 1.583 53.501 52.037 -0.198 0.000 0.653 541 A CB -1.174 17.671 19.000 -0.258 0.000 0.801 541 A HN 0.603 nan 8.150 nan 0.000 0.455 542 S N -1.456 114.212 115.700 -0.053 0.000 2.461 542 S HA -0.014 4.456 4.470 0.000 0.000 0.228 542 S C 0.831 175.485 174.600 0.090 0.000 1.005 542 S CA 0.079 58.288 58.200 0.015 0.000 0.942 542 S CB -0.354 62.856 63.200 0.018 0.000 0.776 542 S HN 0.783 nan 8.310 nan 0.000 0.514 543 H N 0.686 119.719 119.070 -0.061 0.000 3.046 543 H HA 0.082 4.638 4.556 0.000 0.000 0.303 543 H C 0.479 175.785 175.328 -0.037 0.000 1.002 543 H CA 0.395 56.375 56.048 -0.112 0.000 1.460 543 H CB 0.125 29.771 29.762 -0.193 0.000 1.493 543 H HN 0.432 nan 8.280 nan 0.000 0.559 544 Y N 1.351 121.349 120.300 -0.504 0.000 2.499 544 Y HA 0.246 4.796 4.550 0.000 0.000 0.253 544 Y C 1.243 176.915 175.900 -0.381 0.000 1.105 544 Y CA -0.451 57.457 58.100 -0.321 0.000 1.240 544 Y CB 0.003 38.350 38.460 -0.189 0.000 1.289 544 Y HN 0.445 nan 8.280 nan 0.000 0.534 545 Q N 2.163 121.233 119.800 -1.216 0.000 2.488 545 Q HA 0.306 4.646 4.340 0.000 0.000 0.211 545 Q C 1.283 177.103 176.000 -0.300 0.000 0.967 545 Q CA 1.037 56.376 55.803 -0.773 0.000 0.926 545 Q CB -0.082 28.194 28.738 -0.769 0.000 0.992 545 Q HN 0.722 nan 8.270 nan 0.000 0.506 546 G N -0.087 108.597 108.800 -0.193 0.000 2.782 546 G HA2 -0.097 3.863 3.960 0.000 0.000 0.228 546 G HA3 -0.097 3.863 3.960 0.000 0.000 0.228 546 G C -0.291 174.747 174.900 0.229 0.000 1.372 546 G CA -0.308 44.824 45.100 0.052 0.000 0.862 546 G HN 0.745 nan 8.290 nan 0.000 0.547 547 S N -2.874 112.937 115.700 0.186 0.000 2.661 547 S HA 0.848 5.318 4.470 0.000 0.000 0.268 547 S C -0.809 173.909 174.600 0.198 0.000 1.162 547 S CA 0.230 58.572 58.200 0.238 0.000 0.817 547 S CB 2.019 65.474 63.200 0.424 0.000 1.141 547 S HN 1.694 nan 8.310 nan 0.000 0.477 548 T N 1.315 116.011 114.554 0.238 0.000 2.881 548 T HA 0.644 4.995 4.350 0.000 0.000 0.291 548 T C -0.965 173.843 174.700 0.180 0.000 0.990 548 T CA -0.318 61.883 62.100 0.169 0.000 0.976 548 T CB 0.894 69.851 68.868 0.147 0.000 0.970 548 T HN 0.684 nan 8.240 nan 0.000 0.438 549 I N 2.601 123.194 120.570 0.039 0.000 2.530 549 I HA 0.825 4.995 4.170 0.000 0.000 0.297 549 I C -0.977 175.207 176.117 0.111 0.000 1.011 549 I CA -0.710 60.563 61.300 -0.045 0.000 1.107 549 I CB 1.206 38.958 38.000 -0.414 0.000 1.285 549 I HN 0.775 nan 8.210 nan 0.000 0.436 550 A N 6.208 129.158 122.820 0.217 0.000 2.520 550 A HA 0.706 5.026 4.320 0.000 0.000 0.298 550 A C -1.864 175.980 177.584 0.433 0.000 1.051 550 A CA -0.506 51.731 52.037 0.333 0.000 0.690 550 A CB 1.914 21.196 19.000 0.471 0.000 1.281 550 A HN 0.539 nan 8.150 nan 0.000 0.402 551 V N 2.815 122.927 119.914 0.329 0.000 2.628 551 V HA 0.554 4.674 4.120 0.000 0.000 0.306 551 V C -0.746 175.418 176.094 0.117 0.000 1.045 551 V CA -0.570 61.901 62.300 0.285 0.000 0.905 551 V CB 1.687 33.629 31.823 0.199 0.000 0.997 551 V HN 1.080 nan 8.190 nan 0.000 0.436 552 D N 5.498 125.929 120.400 0.052 0.000 2.357 552 D HA 0.328 4.968 4.640 0.000 0.000 0.242 552 D C 0.244 176.490 176.300 -0.089 0.000 1.153 552 D CA 0.069 53.914 54.000 -0.259 0.000 0.918 552 D CB 1.933 42.591 40.800 -0.237 0.000 1.181 552 D HN 0.838 nan 8.370 nan 0.000 0.435 553 A N 1.142 123.894 122.820 -0.113 0.000 2.555 553 A HA 0.307 4.628 4.320 0.000 0.000 0.233 553 A C 1.324 178.951 177.584 0.072 0.000 1.060 553 A CA 1.275 53.301 52.037 -0.018 0.000 0.759 553 A CB -0.293 18.681 19.000 -0.043 0.000 0.995 553 A HN 1.671 nan 8.150 nan 0.000 0.506 554 S N 0.425 116.276 115.700 0.252 0.000 1.646 554 S HA -0.074 4.396 4.470 0.000 0.000 0.244 554 S C 2.118 176.858 174.600 0.233 0.000 0.878 554 S CA 1.300 59.716 58.200 0.359 0.000 1.313 554 S CB -2.181 61.109 63.200 0.149 0.000 1.591 554 S HN 3.078 nan 8.310 nan 0.000 0.522 555 G N 0.879 109.774 108.800 0.157 0.000 2.225 555 G HA2 -0.094 3.867 3.960 0.000 0.000 0.264 555 G HA3 -0.094 3.867 3.960 0.000 0.000 0.264 555 G C 0.622 175.568 174.900 0.077 0.000 1.060 555 G CA 1.325 46.505 45.100 0.133 0.000 0.833 555 G HN 2.268 nan 8.290 nan 0.000 0.498 556 S N -2.312 113.360 115.700 -0.046 0.000 2.628 556 S HA 0.395 4.865 4.470 0.000 0.000 0.246 556 S C 0.459 174.804 174.600 -0.424 0.000 1.062 556 S CA 0.253 58.315 58.200 -0.230 0.000 1.028 556 S CB 0.626 63.751 63.200 -0.125 0.000 0.985 556 S HN 0.536 nan 8.310 nan 0.000 0.551 557 Q N 0.792 120.464 119.800 -0.214 0.000 2.340 557 Q HA 0.689 5.029 4.340 0.000 0.000 0.268 557 Q C -1.502 174.581 176.000 0.138 0.000 1.031 557 Q CA -0.345 55.374 55.803 -0.140 0.000 0.804 557 Q CB 2.450 31.093 28.738 -0.157 0.000 1.286 557 Q HN 0.399 nan 8.270 nan 0.000 0.448 558 I N 1.854 122.481 120.570 0.095 0.000 2.509 558 I HA 0.529 4.699 4.170 0.000 0.000 0.293 558 I C -0.791 175.469 176.117 0.238 0.000 1.020 558 I CA -1.139 60.287 61.300 0.210 0.000 1.088 558 I CB 2.023 40.136 38.000 0.188 0.000 1.267 558 I HN 0.242 nan 8.210 nan 0.000 0.430 559 V N 4.840 124.873 119.914 0.198 0.000 2.604 559 V HA 0.452 4.572 4.120 0.000 0.000 0.305 559 V C -1.401 174.899 176.094 0.344 0.000 1.043 559 V CA -0.456 61.931 62.300 0.145 0.000 0.888 559 V CB 2.336 33.920 31.823 -0.398 0.000 0.995 559 V HN 0.653 nan 8.190 nan 0.000 0.429 560 W N 4.360 125.754 121.300 0.157 0.000 2.687 560 W HA 0.567 5.227 4.660 0.000 0.000 0.328 560 W C -0.276 176.279 176.519 0.059 0.000 1.012 560 W CA -1.039 56.312 57.345 0.010 0.000 1.262 560 W CB 1.858 31.112 29.460 -0.344 0.000 1.331 560 W HN 0.544 nan 8.180 nan 0.000 0.433 561 S N 2.874 118.800 115.700 0.376 0.000 2.457 561 S HA 0.311 4.781 4.470 0.000 0.000 0.289 561 S C 1.136 175.798 174.600 0.103 0.000 1.163 561 S CA 0.278 58.588 58.200 0.184 0.000 1.078 561 S CB 1.164 64.424 63.200 0.099 0.000 0.987 561 S HN 0.495 nan 8.310 nan 0.000 0.482 562 T N 1.565 116.099 114.554 -0.034 0.000 3.148 562 T HA 0.202 4.553 4.350 0.000 0.000 0.253 562 T C 0.674 175.374 174.700 0.000 0.000 1.134 562 T CA 0.034 62.021 62.100 -0.189 0.000 1.051 562 T CB -0.722 67.960 68.868 -0.310 0.000 0.959 562 T HN 0.896 nan 8.240 nan 0.000 0.525 563 K N 0.248 120.665 120.400 0.029 0.000 3.048 563 K HA -0.136 4.184 4.320 0.000 0.000 0.274 563 K C -0.533 176.066 176.600 -0.003 0.000 1.098 563 K CA 0.371 56.671 56.287 0.022 0.000 0.807 563 K CB -1.933 30.588 32.500 0.036 0.000 1.217 563 K HN 0.523 nan 8.250 nan 0.000 0.477 564 L N 0.748 121.970 121.223 -0.001 0.000 2.276 564 L HA 0.119 4.459 4.340 0.000 0.000 0.286 564 L C 1.254 178.108 176.870 -0.027 0.000 1.061 564 L CA -0.570 54.258 54.840 -0.019 0.000 0.807 564 L CB 1.069 43.120 42.059 -0.012 0.000 1.177 564 L HN -0.003 nan 8.230 nan 0.000 0.429 565 D N 1.474 121.853 120.400 -0.034 0.000 2.309 565 D HA -0.139 4.501 4.640 0.000 0.000 0.212 565 D C 1.427 177.711 176.300 -0.027 0.000 0.968 565 D CA 1.196 55.178 54.000 -0.030 0.000 0.882 565 D CB 0.333 41.118 40.800 -0.024 0.000 0.918 565 D HN 0.586 nan 8.370 nan 0.000 0.503 566 E N -0.105 120.081 120.200 -0.023 0.000 2.400 566 E HA 0.056 4.406 4.350 0.000 0.000 0.195 566 E C 0.358 176.949 176.600 -0.016 0.000 1.012 566 E CA 0.101 56.490 56.400 -0.018 0.000 0.875 566 E CB -0.028 29.663 29.700 -0.015 0.000 0.859 566 E HN 0.246 nan 8.360 nan 0.000 0.498 567 Q N 0.834 120.628 119.800 -0.010 0.000 2.344 567 Q HA 0.360 4.700 4.340 0.000 0.000 0.253 567 Q C -0.102 175.863 176.000 -0.059 0.000 1.050 567 Q CA -0.224 55.578 55.803 -0.000 0.000 0.912 567 Q CB 1.135 29.917 28.738 0.074 0.000 1.258 567 Q HN 0.200 nan 8.270 nan 0.000 0.443 568 A N 2.677 125.457 122.820 -0.067 0.000 2.324 568 A HA 0.089 4.409 4.320 0.000 0.000 0.240 568 A C 0.478 177.972 177.584 -0.150 0.000 1.347 568 A CA 0.089 52.069 52.037 -0.094 0.000 1.036 568 A CB 0.012 18.972 19.000 -0.067 0.000 0.917 568 A HN 0.469 nan 8.150 nan 0.000 0.519 569 S N -0.772 114.798 115.700 -0.217 0.000 2.568 569 S HA 0.667 5.137 4.470 0.000 0.000 0.302 569 S C 0.551 174.921 174.600 -0.384 0.000 1.082 569 S CA 0.023 58.008 58.200 -0.359 0.000 1.009 569 S CB 1.228 64.063 63.200 -0.609 0.000 1.069 569 S HN 0.698 nan 8.310 nan 0.000 0.500 570 G N 2.238 110.802 108.800 -0.394 0.000 2.651 570 G HA2 0.461 4.421 3.960 0.000 0.000 0.260 570 G HA3 0.461 4.421 3.960 0.000 0.000 0.260 570 G C -2.853 171.774 174.900 -0.455 0.000 1.216 570 G CA -1.456 43.397 45.100 -0.413 0.000 0.913 570 G HN 0.590 nan 8.290 nan 0.000 0.535 571 P HA -0.026 nan 4.420 nan 0.000 0.262 571 P C -0.475 176.783 177.300 -0.070 0.000 1.182 571 P CA 0.254 63.260 63.100 -0.157 0.000 0.761 571 P CB 0.296 31.949 31.700 -0.079 0.000 0.795 572 W N 4.090 125.422 121.300 0.053 0.000 2.193 572 W HA 0.196 4.856 4.660 0.000 0.000 0.338 572 W C 0.571 177.291 176.519 0.335 0.000 1.310 572 W CA 0.394 57.828 57.345 0.147 0.000 1.243 572 W CB -0.460 29.037 29.460 0.063 0.000 1.165 572 W HN 0.394 nan 8.180 nan 0.000 0.566 573 Y N 0.271 120.784 120.300 0.354 0.000 2.468 573 Y HA 0.769 5.320 4.550 0.000 0.000 0.342 573 Y C -0.495 175.371 175.900 -0.056 0.000 1.021 573 Y CA -1.904 56.282 58.100 0.143 0.000 1.079 573 Y CB 1.837 40.253 38.460 -0.073 0.000 1.226 573 Y HN 0.262 nan 8.280 nan 0.000 0.460 574 S N 1.495 117.049 115.700 -0.243 0.000 2.614 574 S HA 0.373 4.843 4.470 0.000 0.000 0.288 574 S C -0.963 173.543 174.600 -0.156 0.000 1.137 574 S CA -0.594 57.200 58.200 -0.675 0.000 0.992 574 S CB 0.394 62.539 63.200 -1.758 0.000 1.026 574 S HN 0.971 nan 8.310 nan 0.000 0.486 575 H N 2.287 121.182 119.070 -0.293 0.000 2.594 575 H HA 0.180 4.736 4.556 0.000 0.000 0.279 575 H C -0.402 174.757 175.328 -0.281 0.000 1.042 575 H CA -0.029 55.888 56.048 -0.219 0.000 1.177 575 H CB 0.573 30.305 29.762 -0.050 0.000 1.524 575 H HN 0.649 nan 8.280 nan 0.000 0.537 576 D N -1.116 119.146 120.400 -0.230 0.000 2.819 576 D HA -0.033 4.607 4.640 0.000 0.000 0.326 576 D C -0.550 175.699 176.300 -0.085 0.000 1.408 576 D CA -0.904 53.026 54.000 -0.117 0.000 0.811 576 D CB -1.042 39.717 40.800 -0.068 0.000 1.148 576 D HN 0.092 nan 8.370 nan 0.000 0.457 577 Y N 0.842 120.977 120.300 -0.275 0.000 3.389 577 Y HA -0.078 4.473 4.550 0.000 0.000 0.213 577 Y C 1.708 177.557 175.900 -0.084 0.000 1.272 577 Y CA 0.974 58.884 58.100 -0.317 0.000 1.444 577 Y CB -1.712 36.459 38.460 -0.482 0.000 1.445 577 Y HN 0.572 nan 8.280 nan 0.000 0.583 578 G N -1.087 107.495 108.800 -0.364 0.000 2.159 578 G HA2 -0.366 3.594 3.960 0.000 0.000 0.256 578 G HA3 -0.366 3.594 3.960 0.000 0.000 0.256 578 G C 1.165 176.010 174.900 -0.091 0.000 0.977 578 G CA 0.410 45.296 45.100 -0.356 0.000 0.652 578 G HN 0.506 nan 8.290 nan 0.000 0.531 579 K N -0.257 120.070 120.400 -0.122 0.000 2.148 579 K HA 0.050 4.370 4.320 0.000 0.000 0.204 579 K C 0.624 177.132 176.600 -0.152 0.000 1.050 579 K CA 1.511 57.764 56.287 -0.056 0.000 0.942 579 K CB -0.005 32.480 32.500 -0.025 0.000 0.724 579 K HN 0.490 nan 8.250 nan 0.000 0.446 580 T N -0.585 113.739 114.554 -0.385 0.000 2.916 580 T HA 0.364 4.715 4.350 0.000 0.000 0.298 580 T C -1.487 172.778 174.700 -0.725 0.000 1.031 580 T CA -0.722 61.149 62.100 -0.382 0.000 0.993 580 T CB 1.228 69.924 68.868 -0.286 0.000 1.045 580 T HN 0.105 nan 8.240 nan 0.000 0.454 581 W N 1.468 122.644 121.300 -0.205 0.000 2.538 581 W HA 0.640 5.300 4.660 0.000 0.000 0.322 581 W C -0.059 176.437 176.519 -0.037 0.000 1.028 581 W CA -0.510 56.729 57.345 -0.177 0.000 1.228 581 W CB 1.811 31.113 29.460 -0.264 0.000 1.356 581 W HN 0.525 nan 8.180 nan 0.000 0.452 582 S N 1.303 116.964 115.700 -0.065 0.000 2.536 582 S HA 0.516 4.987 4.470 0.000 0.000 0.298 582 S C -0.502 174.040 174.600 -0.097 0.000 1.083 582 S CA -0.846 57.256 58.200 -0.164 0.000 0.995 582 S CB 1.726 64.540 63.200 -0.643 0.000 1.058 582 S HN 0.173 nan 8.310 nan 0.000 0.488 583 V N 5.157 124.974 119.914 -0.163 0.000 2.585 583 V HA 0.181 4.301 4.120 0.000 0.000 0.296 583 V C -1.605 174.477 176.094 -0.019 0.000 1.035 583 V CA -0.824 61.273 62.300 -0.338 0.000 1.084 583 V CB 0.068 31.692 31.823 -0.330 0.000 0.953 583 V HN 0.692 nan 8.190 nan 0.000 0.483 584 P HA 0.520 nan 4.420 nan 0.000 0.280 584 P C -0.825 176.472 177.300 -0.004 0.000 1.272 584 P CA -0.559 62.587 63.100 0.076 0.000 0.819 584 P CB 1.439 33.216 31.700 0.128 0.000 1.122 585 A N -0.340 122.469 122.820 -0.018 0.000 2.281 585 A HA 0.825 5.145 4.320 0.000 0.000 0.329 585 A C 0.482 178.076 177.584 0.016 0.000 1.122 585 A CA 0.090 52.116 52.037 -0.018 0.000 0.850 585 A CB 0.199 19.179 19.000 -0.033 0.000 1.207 585 A HN 0.920 nan 8.150 nan 0.000 0.495 586 G N -0.120 108.693 108.800 0.021 0.000 2.378 586 G HA2 -0.082 3.879 3.960 0.000 0.000 0.198 586 G HA3 -0.082 3.879 3.960 0.000 0.000 0.198 586 G C -0.101 174.846 174.900 0.078 0.000 1.223 586 G CA 0.267 45.405 45.100 0.064 0.000 1.088 586 G HN 0.570 nan 8.290 nan 0.000 0.530 587 D N -0.251 120.246 120.400 0.163 0.000 2.347 587 D HA 0.097 4.738 4.640 0.000 0.000 0.215 587 D C 1.031 177.399 176.300 0.113 0.000 0.976 587 D CA 0.739 54.870 54.000 0.218 0.000 0.884 587 D CB 0.283 41.312 40.800 0.382 0.000 0.915 587 D HN 0.275 nan 8.370 nan 0.000 0.526 588 L N 0.987 122.123 121.223 -0.145 0.000 2.262 588 L HA 0.244 4.584 4.340 0.000 0.000 0.288 588 L C 0.146 176.771 176.870 -0.409 0.000 1.035 588 L CA -0.051 54.397 54.840 -0.653 0.000 0.820 588 L CB 0.908 42.289 42.059 -1.129 0.000 1.204 588 L HN -0.320 nan 8.230 nan 0.000 0.424 589 K N 4.725 124.920 120.400 -0.342 0.000 2.792 589 K HA 0.643 4.964 4.320 0.000 0.000 0.207 589 K C -0.699 175.762 176.600 -0.231 0.000 1.103 589 K CA -0.117 56.026 56.287 -0.239 0.000 1.048 589 K CB 1.056 33.469 32.500 -0.145 0.000 0.777 589 K HN 0.617 nan 8.250 nan 0.000 0.468 590 A N 0.572 123.221 122.820 -0.286 0.000 2.572 590 A HA 0.364 4.685 4.320 0.000 0.000 0.295 590 A C -0.857 176.591 177.584 -0.226 0.000 1.072 590 A CA -0.713 51.194 52.037 -0.217 0.000 0.691 590 A CB 1.184 20.084 19.000 -0.166 0.000 1.291 590 A HN 0.067 nan 8.150 nan 0.000 0.404 591 Q N 1.627 121.339 119.800 -0.148 0.000 3.254 591 Q HA 0.093 4.434 4.340 0.000 0.000 0.315 591 Q C 0.424 176.378 176.000 -0.077 0.000 1.405 591 Q CA 0.175 55.916 55.803 -0.103 0.000 0.966 591 Q CB -0.270 28.444 28.738 -0.040 0.000 1.706 591 Q HN 0.755 nan 8.270 nan 0.000 0.525 592 T N -0.587 113.898 114.554 -0.116 0.000 2.946 592 T HA 0.138 4.488 4.350 0.000 0.000 0.311 592 T C 1.312 176.002 174.700 -0.016 0.000 1.063 592 T CA 0.460 62.517 62.100 -0.072 0.000 1.139 592 T CB 0.703 69.506 68.868 -0.108 0.000 0.994 592 T HN 0.505 nan 8.240 nan 0.000 0.547 593 A N 4.900 127.730 122.820 0.017 0.000 2.067 593 A HA 0.045 4.365 4.320 0.000 0.000 0.219 593 A C 1.279 178.906 177.584 0.072 0.000 1.158 593 A CA 0.662 52.730 52.037 0.051 0.000 0.661 593 A CB -0.157 18.875 19.000 0.052 0.000 0.801 593 A HN 0.827 nan 8.150 nan 0.000 0.452 594 N N 0.833 119.571 118.700 0.063 0.000 3.083 594 N HA 0.347 5.087 4.740 0.000 0.000 0.260 594 N C -0.803 174.769 175.510 0.104 0.000 1.163 594 N CA 0.280 53.389 53.050 0.098 0.000 1.060 594 N CB 1.015 39.565 38.487 0.105 0.000 1.345 594 N HN 0.320 nan 8.380 nan 0.000 0.515 595 V N -0.492 119.502 119.914 0.134 0.000 2.841 595 V HA 0.825 4.945 4.120 0.000 0.000 0.310 595 V C -0.457 175.790 176.094 0.254 0.000 1.090 595 V CA -1.045 61.361 62.300 0.177 0.000 0.930 595 V CB 2.071 33.971 31.823 0.128 0.000 1.014 595 V HN 0.280 nan 8.190 nan 0.000 0.425 596 L N 1.890 123.316 121.223 0.338 0.000 2.568 596 L HA 0.987 5.327 4.340 0.000 0.000 0.257 596 L C -0.375 176.712 176.870 0.362 0.000 1.024 596 L CA -0.577 54.472 54.840 0.348 0.000 0.854 596 L CB 2.103 44.346 42.059 0.306 0.000 1.460 596 L HN 0.864 nan 8.230 nan 0.000 0.409 597 S N -0.856 114.960 115.700 0.193 0.000 2.578 597 S HA 0.335 4.805 4.470 0.000 0.000 0.283 597 S C -0.429 174.139 174.600 -0.053 0.000 1.195 597 S CA -0.756 57.322 58.200 -0.203 0.000 1.050 597 S CB 1.571 64.549 63.200 -0.371 0.000 1.012 597 S HN 0.806 nan 8.310 nan 0.000 0.511 598 D N 0.468 120.780 120.400 -0.148 0.000 2.423 598 D HA 0.038 4.678 4.640 0.000 0.000 0.238 598 D C 0.325 176.615 176.300 -0.017 0.000 1.142 598 D CA -0.006 54.048 54.000 0.091 0.000 0.884 598 D CB 0.595 41.462 40.800 0.113 0.000 1.199 598 D HN 0.459 nan 8.370 nan 0.000 0.438 599 K N 2.212 122.621 120.400 0.016 0.000 2.374 599 K HA 0.097 4.417 4.320 0.000 0.000 0.196 599 K C 0.849 177.401 176.600 -0.080 0.000 1.023 599 K CA 0.086 56.336 56.287 -0.062 0.000 1.103 599 K CB 0.937 33.373 32.500 -0.107 0.000 0.848 599 K HN 0.283 nan 8.250 nan 0.000 0.528 600 V N -0.634 119.270 119.914 -0.017 0.000 3.103 600 V HA 0.030 4.150 4.120 0.000 0.000 0.229 600 V C 0.432 176.551 176.094 0.043 0.000 1.304 600 V CA -0.082 62.222 62.300 0.007 0.000 1.298 600 V CB 0.429 32.279 31.823 0.046 0.000 1.093 600 V HN 0.105 nan 8.190 nan 0.000 0.489 601 Q N 2.003 121.862 119.800 0.099 0.000 2.307 601 Q HA 0.171 4.511 4.340 0.000 0.000 0.259 601 Q C -0.581 175.429 176.000 0.018 0.000 0.998 601 Q CA -0.036 55.843 55.803 0.127 0.000 0.923 601 Q CB 0.391 29.332 28.738 0.340 0.000 1.196 601 Q HN 0.416 nan 8.270 nan 0.000 0.416 602 D N 3.135 123.534 120.400 -0.001 0.000 2.390 602 D HA 0.154 4.794 4.640 0.000 0.000 0.236 602 D C 0.939 177.187 176.300 -0.087 0.000 1.189 602 D CA 1.494 55.470 54.000 -0.041 0.000 0.887 602 D CB 0.393 41.188 40.800 -0.008 0.000 1.198 602 D HN 0.883 nan 8.370 nan 0.000 0.444 603 G N 0.744 109.479 108.800 -0.109 0.000 2.212 603 G HA2 -0.282 3.679 3.960 0.000 0.000 0.267 603 G HA3 -0.282 3.679 3.960 0.000 0.000 0.267 603 G C 0.277 175.130 174.900 -0.078 0.000 1.002 603 G CA 0.956 46.021 45.100 -0.058 0.000 0.729 603 G HN 0.542 nan 8.290 nan 0.000 0.517 604 T N 0.006 114.381 114.554 -0.299 0.000 2.779 604 T HA 0.679 5.029 4.350 0.000 0.000 0.280 604 T C -0.720 173.565 174.700 -0.692 0.000 0.987 604 T CA -0.210 61.694 62.100 -0.327 0.000 0.966 604 T CB 1.337 70.108 68.868 -0.163 0.000 0.933 604 T HN 0.231 nan 8.240 nan 0.000 0.442 605 F N 1.750 121.462 119.950 -0.397 0.000 2.591 605 F HA 0.600 5.128 4.527 0.000 0.000 0.309 605 F C -0.941 174.642 175.800 -0.362 0.000 1.098 605 F CA -1.132 56.688 58.000 -0.299 0.000 0.937 605 F CB 1.732 40.727 39.000 -0.007 0.000 1.250 605 F HN 0.468 nan 8.300 nan 0.000 0.447 606 Y N 1.000 121.527 120.300 0.378 0.000 2.524 606 Y HA 0.868 5.418 4.550 0.000 0.000 0.344 606 Y C -0.145 175.801 175.900 0.077 0.000 1.012 606 Y CA -1.483 56.708 58.100 0.152 0.000 1.068 606 Y CB 1.998 40.573 38.460 0.191 0.000 1.249 606 Y HN 0.721 nan 8.280 nan 0.000 0.468 607 A N 0.628 123.439 122.820 -0.015 0.000 2.572 607 A HA 0.803 5.123 4.320 0.000 0.000 0.295 607 A C -0.927 176.648 177.584 -0.016 0.000 1.072 607 A CA -0.671 51.364 52.037 -0.003 0.000 0.691 607 A CB 1.323 20.246 19.000 -0.127 0.000 1.291 607 A HN 0.789 nan 8.150 nan 0.000 0.404 608 T N -1.227 113.386 114.554 0.099 0.000 2.863 608 T HA 0.762 5.112 4.350 0.000 0.000 0.285 608 T C -1.257 173.536 174.700 0.155 0.000 1.009 608 T CA -0.432 61.778 62.100 0.183 0.000 0.989 608 T CB 1.753 70.735 68.868 0.190 0.000 1.004 608 T HN 0.749 nan 8.240 nan 0.000 0.455 609 D N 0.418 120.959 120.400 0.234 0.000 2.745 609 D HA 0.484 5.124 4.640 0.000 0.000 0.221 609 D C 0.722 177.136 176.300 0.191 0.000 1.237 609 D CA 0.604 54.691 54.000 0.145 0.000 0.781 609 D CB 1.102 41.905 40.800 0.005 0.000 1.575 609 D HN 1.119 nan 8.370 nan 0.000 0.482 610 G N 1.780 110.641 108.800 0.102 0.000 2.422 610 G HA2 0.109 4.069 3.960 0.000 0.000 0.301 610 G HA3 0.109 4.069 3.960 0.000 0.000 0.301 610 G C 1.184 176.130 174.900 0.076 0.000 0.981 610 G CA 1.443 46.593 45.100 0.083 0.000 0.994 610 G HN 1.701 nan 8.290 nan 0.000 0.514 611 G N -1.744 107.093 108.800 0.062 0.000 2.205 611 G HA2 -0.289 3.671 3.960 0.000 0.000 0.261 611 G HA3 -0.289 3.671 3.960 0.000 0.000 0.261 611 G C 0.630 175.525 174.900 -0.009 0.000 0.980 611 G CA 1.267 46.377 45.100 0.016 0.000 0.632 611 G HN 0.889 nan 8.290 nan 0.000 0.533 612 K N -0.470 119.949 120.400 0.032 0.000 2.139 612 K HA 0.763 5.083 4.320 0.000 0.000 0.243 612 K C -0.902 175.657 176.600 -0.068 0.000 0.983 612 K CA -1.102 55.126 56.287 -0.099 0.000 0.890 612 K CB 1.402 33.747 32.500 -0.258 0.000 1.090 612 K HN 0.186 nan 8.250 nan 0.000 0.445 613 F N 1.339 121.055 119.950 -0.389 0.000 2.482 613 F HA 0.487 5.014 4.527 0.000 0.000 0.331 613 F C -1.267 174.347 175.800 -0.310 0.000 1.115 613 F CA -0.873 57.027 58.000 -0.166 0.000 0.955 613 F CB 0.759 39.714 39.000 -0.075 0.000 1.136 613 F HN 0.299 nan 8.300 nan 0.000 0.452 614 F N 4.560 124.293 119.950 -0.362 0.000 2.546 614 F HA 0.757 5.285 4.527 0.000 0.000 0.320 614 F C -0.827 174.969 175.800 -0.006 0.000 1.076 614 F CA -1.262 56.705 58.000 -0.055 0.000 0.928 614 F CB 1.885 40.878 39.000 -0.011 0.000 1.189 614 F HN 0.146 nan 8.300 nan 0.000 0.465 615 V N 1.040 121.212 119.914 0.430 0.000 2.709 615 V HA 0.650 4.771 4.120 0.000 0.000 0.308 615 V C -0.795 175.407 176.094 0.180 0.000 1.062 615 V CA -0.744 61.779 62.300 0.372 0.000 0.901 615 V CB 1.960 34.043 31.823 0.433 0.000 1.003 615 V HN 0.779 nan 8.190 nan 0.000 0.425 616 S N 1.916 117.596 115.700 -0.033 0.000 2.532 616 S HA 0.558 5.028 4.470 0.000 0.000 0.299 616 S C 0.201 174.731 174.600 -0.116 0.000 1.105 616 S CA -0.255 57.788 58.200 -0.262 0.000 1.018 616 S CB 1.912 64.654 63.200 -0.763 0.000 1.021 616 S HN 0.789 nan 8.310 nan 0.000 0.483 617 T N 3.006 117.492 114.554 -0.112 0.000 3.132 617 T HA 0.253 4.603 4.350 0.000 0.000 0.274 617 T C 0.222 174.870 174.700 -0.086 0.000 1.011 617 T CA -0.174 61.870 62.100 -0.093 0.000 0.899 617 T CB 0.033 68.839 68.868 -0.104 0.000 1.089 617 T HN 0.556 nan 8.240 nan 0.000 0.543 618 D N 0.787 121.126 120.400 -0.102 0.000 2.398 618 D HA 0.199 4.839 4.640 0.000 0.000 0.210 618 D C 1.568 177.843 176.300 -0.042 0.000 1.094 618 D CA 0.507 54.437 54.000 -0.117 0.000 0.839 618 D CB 0.481 41.141 40.800 -0.232 0.000 0.963 618 D HN 0.457 nan 8.370 nan 0.000 0.506 619 G N 0.497 109.328 108.800 0.052 0.000 2.176 619 G HA2 -0.200 3.760 3.960 0.000 0.000 0.252 619 G HA3 -0.200 3.760 3.960 0.000 0.000 0.252 619 G C 1.055 176.021 174.900 0.111 0.000 1.024 619 G CA 0.412 45.644 45.100 0.219 0.000 0.755 619 G HN 0.820 nan 8.290 nan 0.000 0.507 620 G N -1.191 107.487 108.800 -0.204 0.000 2.157 620 G HA2 -0.283 3.678 3.960 0.000 0.000 0.248 620 G HA3 -0.283 3.678 3.960 0.000 0.000 0.248 620 G C 1.034 175.575 174.900 -0.598 0.000 0.979 620 G CA 1.275 46.066 45.100 -0.515 0.000 0.650 620 G HN 0.891 nan 8.290 nan 0.000 0.529 621 K N 0.146 120.104 120.400 -0.737 0.000 2.155 621 K HA 0.176 4.496 4.320 0.000 0.000 0.203 621 K C 1.220 177.551 176.600 -0.448 0.000 1.052 621 K CA 1.356 57.093 56.287 -0.917 0.000 0.948 621 K CB -0.034 32.024 32.500 -0.738 0.000 0.728 621 K HN 0.810 nan 8.250 nan 0.000 0.448 622 S N -1.035 114.429 115.700 -0.394 0.000 2.533 622 S HA 0.417 4.888 4.470 0.000 0.000 0.271 622 S C -1.373 173.050 174.600 -0.295 0.000 1.143 622 S CA -1.103 56.966 58.200 -0.218 0.000 0.891 622 S CB 0.765 63.888 63.200 -0.129 0.000 1.105 622 S HN 0.036 nan 8.310 nan 0.000 0.468 623 Y N 0.707 120.994 120.300 -0.023 0.000 2.409 623 Y HA 0.754 5.304 4.550 0.000 0.000 0.339 623 Y C 0.413 176.397 175.900 0.140 0.000 1.033 623 Y CA -0.573 57.565 58.100 0.063 0.000 1.094 623 Y CB 2.173 40.661 38.460 0.046 0.000 1.210 623 Y HN 1.088 nan 8.280 nan 0.000 0.456 624 A N 1.836 124.849 122.820 0.321 0.000 2.303 624 A HA 0.783 5.103 4.320 0.000 0.000 0.320 624 A C -0.505 177.239 177.584 0.267 0.000 1.192 624 A CA -0.756 51.433 52.037 0.253 0.000 0.821 624 A CB 0.315 19.403 19.000 0.147 0.000 1.188 624 A HN 0.878 nan 8.150 nan 0.000 0.492 625 A N 3.203 126.112 122.820 0.148 0.000 2.515 625 A HA 0.461 4.782 4.320 0.000 0.000 0.263 625 A C 0.649 178.206 177.584 -0.045 0.000 1.096 625 A CA 0.336 52.236 52.037 -0.228 0.000 0.769 625 A CB -0.104 18.728 19.000 -0.279 0.000 1.040 625 A HN 0.859 nan 8.150 nan 0.000 0.505 626 K N 1.453 121.869 120.400 0.028 0.000 2.221 626 K HA 0.692 5.013 4.320 0.000 0.000 0.294 626 K C 0.769 177.452 176.600 0.139 0.000 0.960 626 K CA -0.352 56.016 56.287 0.134 0.000 1.024 626 K CB 0.338 32.988 32.500 0.251 0.000 3.406 626 K HN 1.492 nan 8.250 nan 0.000 1.152 627 G N 1.068 110.004 108.800 0.227 0.000 2.171 627 G HA2 -0.204 3.756 3.960 0.000 0.000 0.238 627 G HA3 -0.204 3.756 3.960 0.000 0.000 0.238 627 G C 0.072 175.035 174.900 0.105 0.000 1.039 627 G CA 0.118 45.339 45.100 0.201 0.000 0.759 627 G HN 0.683 nan 8.290 nan 0.000 0.501 628 A N -0.562 122.314 122.820 0.094 0.000 2.567 628 A HA 0.619 4.939 4.320 0.000 0.000 0.240 628 A C 2.073 179.702 177.584 0.075 0.000 1.053 628 A CA 2.122 54.190 52.037 0.050 0.000 0.755 628 A CB 0.016 19.036 19.000 0.033 0.000 0.978 628 A HN 2.478 nan 8.150 nan 0.000 0.507 629 G N 0.834 109.657 108.800 0.037 0.000 2.241 629 G HA2 -0.164 3.796 3.960 0.000 0.000 0.244 629 G HA3 -0.164 3.796 3.960 0.000 0.000 0.244 629 G C 0.214 175.107 174.900 -0.012 0.000 0.998 629 G CA 0.299 45.443 45.100 0.073 0.000 0.621 629 G HN 1.606 nan 8.290 nan 0.000 0.519 630 L N 2.964 124.071 121.223 -0.193 0.000 2.407 630 L HA 0.606 4.946 4.340 0.000 0.000 0.282 630 L C 0.939 177.455 176.870 -0.589 0.000 1.110 630 L CA -0.359 54.071 54.840 -0.684 0.000 0.863 630 L CB 0.901 42.479 42.059 -0.801 0.000 1.207 630 L HN 0.135 nan 8.230 nan 0.000 0.454 631 V N 4.683 124.128 119.914 -0.781 0.000 2.694 631 V HA -0.026 4.094 4.120 0.000 0.000 0.306 631 V C 0.831 176.747 176.094 -0.297 0.000 1.054 631 V CA 0.133 62.217 62.300 -0.359 0.000 1.161 631 V CB 0.532 32.294 31.823 -0.103 0.000 0.916 631 V HN 0.852 nan 8.190 nan 0.000 0.490 632 T N 5.188 119.656 114.554 -0.144 0.000 2.752 632 T HA 0.552 4.902 4.350 0.000 0.000 0.295 632 T C 0.531 175.201 174.700 -0.049 0.000 0.923 632 T CA 0.480 62.524 62.100 -0.094 0.000 1.112 632 T CB 0.854 69.690 68.868 -0.053 0.000 0.884 632 T HN 1.074 nan 8.240 nan 0.000 0.525 633 G N 2.238 111.014 108.800 -0.040 0.000 2.871 633 G HA2 0.531 4.491 3.960 0.000 0.000 0.282 633 G HA3 0.531 4.491 3.960 0.000 0.000 0.282 633 G C -0.660 174.250 174.900 0.015 0.000 1.212 633 G CA -0.714 44.387 45.100 0.001 0.000 0.812 633 G HN 0.513 nan 8.290 nan 0.000 0.547 634 T N 1.439 116.014 114.554 0.034 0.000 2.901 634 T HA 0.425 4.775 4.350 0.000 0.000 0.301 634 T C 0.366 175.097 174.700 0.053 0.000 1.012 634 T CA 0.280 62.407 62.100 0.045 0.000 1.135 634 T CB 1.016 69.916 68.868 0.053 0.000 0.936 634 T HN 0.348 nan 8.240 nan 0.000 0.539 635 S N 3.581 119.317 115.700 0.060 0.000 2.422 635 S HA 0.364 4.835 4.470 0.000 0.000 0.283 635 S C 0.105 174.760 174.600 0.091 0.000 1.163 635 S CA -0.625 57.622 58.200 0.078 0.000 1.054 635 S CB -0.146 63.107 63.200 0.087 0.000 0.967 635 S HN 0.401 nan 8.310 nan 0.000 0.499 636 L N 2.441 123.730 121.223 0.110 0.000 2.304 636 L HA 0.588 4.928 4.340 0.000 0.000 0.268 636 L C 0.097 177.060 176.870 0.155 0.000 1.010 636 L CA -1.245 53.670 54.840 0.125 0.000 0.813 636 L CB 0.994 43.131 42.059 0.130 0.000 1.315 636 L HN 0.484 nan 8.230 nan 0.000 0.445 637 M N 3.268 122.964 119.600 0.160 0.000 2.227 637 M HA 0.248 4.728 4.480 0.000 0.000 0.349 637 M C -2.343 174.098 176.300 0.235 0.000 1.443 637 M CA -1.235 54.176 55.300 0.186 0.000 1.110 637 M CB 0.256 32.955 32.600 0.165 0.000 1.773 637 M HN 0.095 nan 8.290 nan 0.000 0.463 638 P HA 0.481 nan 4.420 nan 0.000 0.276 638 P C -1.766 175.736 177.300 0.337 0.000 1.261 638 P CA -0.627 62.688 63.100 0.359 0.000 0.800 638 P CB 0.751 32.741 31.700 0.482 0.000 1.066 639 A N 0.586 123.631 122.820 0.375 0.000 2.374 639 A HA 0.619 4.939 4.320 0.000 0.000 0.305 639 A C -0.359 177.455 177.584 0.383 0.000 1.053 639 A CA -0.682 51.558 52.037 0.339 0.000 0.726 639 A CB 1.125 20.300 19.000 0.290 0.000 1.229 639 A HN 0.391 nan 8.150 nan 0.000 0.431 640 V N 0.716 120.813 119.914 0.306 0.000 2.713 640 V HA 0.538 4.658 4.120 0.000 0.000 0.307 640 V C 0.247 176.491 176.094 0.250 0.000 1.052 640 V CA -1.139 61.323 62.300 0.269 0.000 0.967 640 V CB 1.575 33.549 31.823 0.251 0.000 1.019 640 V HN 0.822 nan 8.190 nan 0.000 0.459 641 N N 4.920 123.767 118.700 0.245 0.000 2.438 641 N HA 0.227 4.968 4.740 0.000 0.000 0.267 641 N C -1.369 174.194 175.510 0.089 0.000 1.222 641 N CA -1.704 51.478 53.050 0.220 0.000 0.930 641 N CB 1.461 40.093 38.487 0.242 0.000 1.083 641 N HN 0.576 nan 8.380 nan 0.000 0.476 642 P HA -0.086 nan 4.420 nan 0.000 0.222 642 P C 0.333 177.337 177.300 -0.493 0.000 1.147 642 P CA 1.360 64.257 63.100 -0.338 0.000 0.790 642 P CB 0.017 31.377 31.700 -0.567 0.000 0.780 643 W N -0.825 120.527 121.300 0.086 0.000 3.008 643 W HA 0.276 4.936 4.660 0.000 0.000 0.355 643 W C -0.180 176.367 176.519 0.047 0.000 1.095 643 W CA -0.183 57.198 57.345 0.060 0.000 1.738 643 W CB 0.772 30.270 29.460 0.064 0.000 1.091 643 W HN -0.393 nan 8.180 nan 0.000 0.574 644 V N 1.022 121.053 119.914 0.195 0.000 2.612 644 V HA 0.577 4.698 4.120 0.000 0.000 0.301 644 V C 0.140 176.244 176.094 0.016 0.000 1.059 644 V CA -1.531 60.836 62.300 0.111 0.000 0.886 644 V CB 0.944 32.828 31.823 0.100 0.000 1.007 644 V HN -0.052 nan 8.190 nan 0.000 0.426 645 A N 3.110 125.927 122.820 -0.005 0.000 2.488 645 A HA 0.558 4.878 4.320 0.000 0.000 0.249 645 A C 1.493 178.745 177.584 -0.553 0.000 1.083 645 A CA 0.838 52.828 52.037 -0.079 0.000 0.768 645 A CB -0.234 18.856 19.000 0.150 0.000 1.017 645 A HN 2.405 nan 8.150 nan 0.000 0.496 646 G N 1.665 109.969 108.800 -0.828 0.000 2.162 646 G HA2 -0.220 3.740 3.960 0.000 0.000 0.260 646 G HA3 -0.220 3.740 3.960 0.000 0.000 0.260 646 G C 0.056 174.534 174.900 -0.703 0.000 0.976 646 G CA 0.495 44.739 45.100 -1.427 0.000 0.655 646 G HN 1.054 nan 8.290 nan 0.000 0.533 647 D N 0.516 120.685 120.400 -0.386 0.000 2.428 647 D HA 0.520 5.160 4.640 0.000 0.000 0.221 647 D C -0.015 176.212 176.300 -0.122 0.000 1.123 647 D CA 0.060 53.918 54.000 -0.237 0.000 0.869 647 D CB 0.988 41.765 40.800 -0.038 0.000 1.032 647 D HN 0.521 nan 8.370 nan 0.000 0.506 648 V N 4.487 124.233 119.914 -0.279 0.000 2.962 648 V HA 0.755 4.875 4.120 0.000 0.000 0.313 648 V C -1.700 174.380 176.094 -0.023 0.000 1.099 648 V CA -0.707 61.535 62.300 -0.097 0.000 0.971 648 V CB 1.845 33.487 31.823 -0.303 0.000 1.028 648 V HN 0.433 nan 8.190 nan 0.000 0.430 649 W N 3.367 124.830 121.300 0.272 0.000 2.736 649 W HA 0.788 5.448 4.660 0.000 0.000 0.335 649 W C -0.837 175.877 176.519 0.325 0.000 1.059 649 W CA -0.723 56.830 57.345 0.347 0.000 1.226 649 W CB 2.219 31.828 29.460 0.248 0.000 1.416 649 W HN 0.446 nan 8.180 nan 0.000 0.505 650 V N 4.313 124.548 119.914 0.535 0.000 2.482 650 V HA 0.430 4.550 4.120 0.000 0.000 0.295 650 V C -2.241 174.052 176.094 0.332 0.000 1.026 650 V CA -2.162 60.323 62.300 0.308 0.000 0.856 650 V CB 1.972 33.770 31.823 -0.042 0.000 1.001 650 V HN 0.260 nan 8.190 nan 0.000 0.424 651 P HA 0.372 nan 4.420 nan 0.000 0.293 651 P C -0.945 176.476 177.300 0.202 0.000 1.300 651 P CA -0.330 62.920 63.100 0.249 0.000 0.792 651 P CB 1.821 33.638 31.700 0.195 0.000 0.925 652 V N 7.198 127.255 119.914 0.238 0.000 2.326 652 V HA 0.191 4.311 4.120 0.000 0.000 0.281 652 V C -1.453 174.733 176.094 0.153 0.000 1.015 652 V CA -1.756 60.646 62.300 0.170 0.000 0.823 652 V CB 1.487 33.404 31.823 0.157 0.000 1.009 652 V HN 0.363 nan 8.190 nan 0.000 0.436 653 P HA -0.142 nan 4.420 nan 0.000 0.216 653 P C 1.048 178.395 177.300 0.077 0.000 1.150 653 P CA 1.201 64.351 63.100 0.083 0.000 0.843 653 P CB 0.429 32.172 31.700 0.072 0.000 0.787 654 E N -1.714 118.534 120.200 0.081 0.000 2.481 654 E HA 0.102 4.452 4.350 0.000 0.000 0.195 654 E C 1.869 178.531 176.600 0.105 0.000 1.047 654 E CA 0.973 57.418 56.400 0.074 0.000 0.867 654 E CB -0.671 29.063 29.700 0.056 0.000 0.858 654 E HN 0.292 nan 8.360 nan 0.000 0.513 655 G N -0.963 107.940 108.800 0.172 0.000 2.659 655 G HA2 0.494 4.454 3.960 0.000 0.000 0.197 655 G HA3 0.494 4.454 3.960 0.000 0.000 0.197 655 G C 0.655 175.707 174.900 0.254 0.000 1.099 655 G CA 0.132 45.404 45.100 0.287 0.000 0.759 655 G HN 0.473 nan 8.290 nan 0.000 0.715 656 G N -0.673 108.255 108.800 0.213 0.000 2.331 656 G HA2 0.285 4.245 3.960 0.000 0.000 0.479 656 G HA3 0.285 4.245 3.960 0.000 0.000 0.479 656 G C -1.666 173.264 174.900 0.050 0.000 1.262 656 G CA -0.334 44.774 45.100 0.014 0.000 1.029 656 G HN 0.892 nan 8.290 nan 0.000 0.487 657 L N 0.470 121.663 121.223 -0.050 0.000 2.257 657 L HA 0.835 5.175 4.340 0.000 0.000 0.290 657 L C -0.876 176.020 176.870 0.044 0.000 1.044 657 L CA -0.714 54.210 54.840 0.140 0.000 0.810 657 L CB 0.238 42.427 42.059 0.217 0.000 1.193 657 L HN 0.412 nan 8.230 nan 0.000 0.425 658 F N 3.982 124.098 119.950 0.278 0.000 2.450 658 F HA 0.496 5.023 4.527 0.000 0.000 0.332 658 F C -0.014 176.010 175.800 0.374 0.000 1.093 658 F CA -0.416 57.741 58.000 0.261 0.000 1.003 658 F CB 1.355 40.407 39.000 0.085 0.000 1.151 658 F HN 0.519 nan 8.300 nan 0.000 0.474 659 H N 0.509 119.700 119.070 0.201 0.000 2.690 659 H HA 0.670 5.227 4.556 0.000 0.000 0.368 659 H C -1.344 173.703 175.328 -0.468 0.000 1.150 659 H CA -0.933 54.866 56.048 -0.414 0.000 1.174 659 H CB 2.079 31.264 29.762 -0.961 0.000 1.684 659 H HN 0.508 nan 8.280 nan 0.000 0.538 660 S N 1.595 116.617 115.700 -1.131 0.000 2.548 660 S HA 0.383 4.853 4.470 0.000 0.000 0.276 660 S C -0.113 173.846 174.600 -1.069 0.000 1.129 660 S CA -0.013 57.456 58.200 -1.219 0.000 0.931 660 S CB 0.776 62.960 63.200 -1.693 0.000 1.068 660 S HN 0.825 nan 8.310 nan 0.000 0.480 661 T N -0.234 113.846 114.554 -0.790 0.000 3.084 661 T HA 0.271 4.621 4.350 0.000 0.000 0.270 661 T C -0.231 174.223 174.700 -0.410 0.000 1.008 661 T CA -0.152 61.609 62.100 -0.565 0.000 0.900 661 T CB -0.235 68.375 68.868 -0.430 0.000 1.084 661 T HN 0.605 nan 8.240 nan 0.000 0.538 662 D N 0.674 120.850 120.400 -0.375 0.000 2.938 662 D HA 0.198 4.838 4.640 0.000 0.000 0.369 662 D C -0.156 176.230 176.300 0.143 0.000 1.301 662 D CA -1.236 52.724 54.000 -0.066 0.000 0.805 662 D CB -1.064 39.725 40.800 -0.017 0.000 1.161 662 D HN 0.212 nan 8.370 nan 0.000 0.474 663 F N 0.730 120.619 119.950 -0.100 0.000 3.074 663 F HA -0.096 4.431 4.527 0.000 0.000 0.289 663 F C 1.628 177.511 175.800 0.138 0.000 0.863 663 F CA 0.600 58.674 58.000 0.124 0.000 1.121 663 F CB -1.877 37.256 39.000 0.222 0.000 1.169 663 F HN 0.505 nan 8.300 nan 0.000 0.570 664 G N -1.048 107.634 108.800 -0.197 0.000 2.179 664 G HA2 -0.053 3.907 3.960 0.000 0.000 0.257 664 G HA3 -0.053 3.907 3.960 0.000 0.000 0.257 664 G C 1.063 175.927 174.900 -0.059 0.000 1.010 664 G CA 0.678 45.547 45.100 -0.384 0.000 0.736 664 G HN 1.475 nan 8.290 nan 0.000 0.513 665 A N -0.588 122.202 122.820 -0.050 0.000 1.898 665 A HA 0.538 4.858 4.320 0.000 0.000 0.214 665 A C 1.685 179.243 177.584 -0.042 0.000 1.183 665 A CA 2.147 54.201 52.037 0.028 0.000 0.622 665 A CB -0.092 18.935 19.000 0.045 0.000 0.824 665 A HN 2.050 nan 8.150 nan 0.000 0.444 666 S N -1.845 113.737 115.700 -0.196 0.000 2.541 666 S HA 0.758 5.228 4.470 0.000 0.000 0.280 666 S C -1.038 173.344 174.600 -0.365 0.000 1.112 666 S CA -0.687 57.421 58.200 -0.155 0.000 0.925 666 S CB 1.215 64.356 63.200 -0.098 0.000 1.067 666 S HN 0.108 nan 8.310 nan 0.000 0.479 667 F N 1.112 120.979 119.950 -0.139 0.000 2.522 667 F HA 0.753 5.280 4.527 0.000 0.000 0.324 667 F C 0.660 176.485 175.800 0.042 0.000 1.077 667 F CA -0.307 57.635 58.000 -0.097 0.000 0.944 667 F CB 2.609 41.546 39.000 -0.105 0.000 1.175 667 F HN 0.790 nan 8.300 nan 0.000 0.468 668 T N 2.479 117.185 114.554 0.254 0.000 2.886 668 T HA 0.384 4.734 4.350 0.000 0.000 0.292 668 T C -0.649 174.129 174.700 0.129 0.000 1.012 668 T CA -0.868 61.353 62.100 0.203 0.000 0.982 668 T CB 1.222 70.120 68.868 0.050 0.000 1.018 668 T HN 0.714 nan 8.240 nan 0.000 0.451 669 R N 2.544 122.986 120.500 -0.096 0.000 2.570 669 R HA 0.422 4.762 4.340 0.000 0.000 0.277 669 R C -0.095 176.100 176.300 -0.176 0.000 1.039 669 R CA -0.035 55.745 56.100 -0.533 0.000 1.065 669 R CB 0.133 30.073 30.300 -0.599 0.000 0.964 669 R HN 0.651 nan 8.270 nan 0.000 0.428 670 V N 2.101 121.954 119.914 -0.101 0.000 2.680 670 V HA 0.743 4.863 4.120 0.000 0.000 0.309 670 V C 0.620 176.765 176.094 0.084 0.000 1.052 670 V CA 0.086 62.417 62.300 0.053 0.000 0.908 670 V CB 1.205 33.141 31.823 0.188 0.000 1.001 670 V HN 1.076 nan 8.190 nan 0.000 0.431 671 G N 3.597 112.445 108.800 0.080 0.000 2.602 671 G HA2 -0.318 3.642 3.960 0.000 0.000 0.317 671 G HA3 -0.318 3.642 3.960 0.000 0.000 0.317 671 G C 0.821 175.769 174.900 0.080 0.000 1.327 671 G CA 1.291 46.456 45.100 0.108 0.000 0.971 671 G HN 2.232 nan 8.290 nan 0.000 0.540 672 T N -0.479 114.147 114.554 0.119 0.000 3.043 672 T HA 0.620 4.970 4.350 0.000 0.000 0.272 672 T C 1.179 175.842 174.700 -0.062 0.000 0.990 672 T CA 1.325 63.438 62.100 0.022 0.000 0.897 672 T CB -0.500 68.378 68.868 0.017 0.000 1.111 672 T HN 1.890 nan 8.240 nan 0.000 0.529 673 A N 1.883 124.666 122.820 -0.062 0.000 2.483 673 A HA 0.386 4.706 4.320 0.000 0.000 0.238 673 A C 0.216 177.670 177.584 -0.215 0.000 1.070 673 A CA -0.145 51.694 52.037 -0.329 0.000 0.770 673 A CB -0.168 18.508 19.000 -0.540 0.000 1.008 673 A HN 0.679 nan 8.150 nan 0.000 0.497 674 N N 1.123 119.662 118.700 -0.269 0.000 2.746 674 N HA 0.478 5.218 4.740 0.000 0.000 0.250 674 N C -0.548 174.870 175.510 -0.153 0.000 1.146 674 N CA -0.289 52.672 53.050 -0.149 0.000 0.828 674 N CB 0.678 39.097 38.487 -0.113 0.000 1.158 674 N HN 0.812 nan 8.380 nan 0.000 0.519 675 A N 1.402 124.163 122.820 -0.098 0.000 2.303 675 A HA 0.381 4.701 4.320 0.000 0.000 0.317 675 A C 1.108 178.727 177.584 0.060 0.000 1.149 675 A CA -0.405 51.602 52.037 -0.049 0.000 0.822 675 A CB 0.827 19.803 19.000 -0.040 0.000 1.131 675 A HN 0.653 nan 8.150 nan 0.000 0.493 676 T N -0.520 114.109 114.554 0.125 0.000 3.001 676 T HA 0.450 4.801 4.350 0.000 0.000 0.251 676 T C 0.172 174.987 174.700 0.191 0.000 1.040 676 T CA 0.270 62.472 62.100 0.171 0.000 0.985 676 T CB -0.438 68.555 68.868 0.207 0.000 1.011 676 T HN 0.378 nan 8.240 nan 0.000 0.509 677 L N 0.977 122.329 121.223 0.216 0.000 2.445 677 L HA 0.807 5.147 4.340 0.000 0.000 0.262 677 L C -1.491 175.492 176.870 0.189 0.000 0.974 677 L CA -1.235 53.727 54.840 0.204 0.000 0.822 677 L CB 2.915 45.108 42.059 0.223 0.000 1.339 677 L HN -0.026 nan 8.230 nan 0.000 0.409 678 V N 1.393 121.411 119.914 0.174 0.000 2.888 678 V HA 0.842 4.962 4.120 0.000 0.000 0.309 678 V C -1.263 174.925 176.094 0.156 0.000 1.114 678 V CA -0.007 62.381 62.300 0.147 0.000 0.940 678 V CB 2.413 34.305 31.823 0.115 0.000 1.021 678 V HN 0.790 nan 8.190 nan 0.000 0.426 679 S N 3.889 119.685 115.700 0.161 0.000 2.533 679 S HA 0.764 5.235 4.470 0.000 0.000 0.271 679 S C -1.575 173.159 174.600 0.223 0.000 1.143 679 S CA -0.421 57.883 58.200 0.174 0.000 0.891 679 S CB 1.842 65.130 63.200 0.147 0.000 1.105 679 S HN 0.909 nan 8.310 nan 0.000 0.468 680 V N 4.081 124.115 119.914 0.201 0.000 2.435 680 V HA 0.786 4.907 4.120 0.000 0.000 0.290 680 V C 1.085 177.354 176.094 0.291 0.000 1.030 680 V CA 0.116 62.556 62.300 0.235 0.000 0.881 680 V CB 1.089 33.045 31.823 0.222 0.000 0.983 680 V HN 1.003 nan 8.190 nan 0.000 0.445 681 G N 2.466 111.509 108.800 0.404 0.000 3.135 681 G HA2 0.717 4.677 3.960 0.000 0.000 0.159 681 G HA3 0.717 4.677 3.960 0.000 0.000 0.159 681 G C -0.097 175.082 174.900 0.466 0.000 1.244 681 G CA -0.198 45.139 45.100 0.394 0.000 0.965 681 G HN 0.998 nan 8.290 nan 0.000 0.599 682 A N 1.050 124.146 122.820 0.460 0.000 2.445 682 A HA 0.595 4.915 4.320 0.000 0.000 0.242 682 A C -1.865 175.949 177.584 0.383 0.000 1.075 682 A CA -0.706 51.588 52.037 0.427 0.000 0.777 682 A CB -0.012 19.201 19.000 0.355 0.000 1.013 682 A HN 0.421 nan 8.150 nan 0.000 0.493 683 P HA 0.142 nan 4.420 nan 0.000 0.276 683 P C -0.449 176.802 177.300 -0.082 0.000 1.252 683 P CA -0.651 62.500 63.100 0.086 0.000 0.802 683 P CB 0.578 32.256 31.700 -0.037 0.000 1.035 684 K N 0.814 120.931 120.400 -0.471 0.000 2.527 684 K HA 0.094 4.414 4.320 0.000 0.000 0.278 684 K C 0.324 176.646 176.600 -0.464 0.000 0.981 684 K CA 0.509 56.180 56.287 -1.026 0.000 1.009 684 K CB 0.130 32.142 32.500 -0.814 0.000 0.895 684 K HN 0.387 nan 8.250 nan 0.000 0.493 694 A N 2.406 125.169 122.820 -0.094 0.000 2.437 694 A HA 0.935 5.255 4.320 0.000 0.000 0.292 694 A C -2.940 174.622 177.584 -0.036 0.000 1.173 694 A CA -1.727 50.267 52.037 -0.072 0.000 0.785 694 A CB 0.017 18.959 19.000 -0.097 0.000 1.351 694 A HN 0.261 nan 8.150 nan 0.000 0.431 695 P HA 0.291 nan 4.420 nan 0.000 0.276 695 P C -0.354 176.989 177.300 0.071 0.000 1.244 695 P CA -0.218 62.907 63.100 0.042 0.000 0.801 695 P CB 0.480 32.214 31.700 0.056 0.000 1.006 696 S N 0.315 116.099 115.700 0.140 0.000 2.626 696 S HA 0.187 4.658 4.470 0.000 0.000 0.303 696 S C 0.754 175.451 174.600 0.161 0.000 1.256 696 S CA -0.154 58.175 58.200 0.214 0.000 1.069 696 S CB -0.445 62.949 63.200 0.324 0.000 0.807 696 S HN 0.682 nan 8.310 nan 0.000 0.500 697 A N 4.071 126.998 122.820 0.179 0.000 2.540 697 A HA 0.318 4.638 4.320 0.000 0.000 0.239 697 A C 0.131 177.682 177.584 -0.055 0.000 1.061 697 A CA -0.277 51.773 52.037 0.021 0.000 0.758 697 A CB 0.031 19.041 19.000 0.017 0.000 0.991 697 A HN 0.656 nan 8.150 nan 0.000 0.502 698 V N 3.223 122.977 119.914 -0.268 0.000 2.398 698 V HA 0.462 4.582 4.120 0.000 0.000 0.286 698 V C -0.624 175.332 176.094 -0.231 0.000 1.026 698 V CA -0.182 61.964 62.300 -0.257 0.000 0.868 698 V CB 0.748 32.237 31.823 -0.556 0.000 0.982 698 V HN 0.653 nan 8.190 nan 0.000 0.443 699 F N 5.381 125.365 119.950 0.056 0.000 2.450 699 F HA 0.769 5.296 4.527 0.000 0.000 0.332 699 F C 0.249 176.121 175.800 0.119 0.000 1.093 699 F CA -0.825 57.257 58.000 0.138 0.000 1.003 699 F CB 1.590 40.645 39.000 0.091 0.000 1.151 699 F HN 0.429 nan 8.300 nan 0.000 0.474 700 I N -0.765 119.983 120.570 0.296 0.000 2.769 700 I HA 0.466 4.637 4.170 0.000 0.000 0.298 700 I C -1.741 174.519 176.117 0.238 0.000 1.128 700 I CA -0.889 60.499 61.300 0.147 0.000 1.031 700 I CB 2.749 40.648 38.000 -0.169 0.000 1.235 700 I HN 0.693 nan 8.210 nan 0.000 0.423 701 W N 6.442 127.784 121.300 0.069 0.000 2.391 701 W HA 0.655 5.315 4.660 0.000 0.000 0.311 701 W C -0.102 176.437 176.519 0.033 0.000 1.087 701 W CA 0.685 58.075 57.345 0.075 0.000 1.209 701 W CB 1.500 31.004 29.460 0.073 0.000 1.273 701 W HN 1.096 nan 8.180 nan 0.000 0.482 702 G N 2.813 111.267 108.800 -0.575 0.000 2.384 702 G HA2 0.108 4.068 3.960 0.000 0.000 0.150 702 G HA3 0.108 4.068 3.960 0.000 0.000 0.150 702 G C -0.898 173.767 174.900 -0.391 0.000 1.269 702 G CA -0.068 44.788 45.100 -0.407 0.000 1.094 702 G HN 0.637 nan 8.290 nan 0.000 0.467 703 T N -1.414 112.885 114.554 -0.425 0.000 2.863 703 T HA 0.587 4.937 4.350 0.000 0.000 0.285 703 T C 0.588 174.781 174.700 -0.846 0.000 1.009 703 T CA 0.601 62.380 62.100 -0.536 0.000 0.989 703 T CB 2.246 70.928 68.868 -0.310 0.000 1.004 703 T HN 0.791 nan 8.240 nan 0.000 0.455 704 D N 1.573 121.259 120.400 -1.190 0.000 2.213 704 D HA 0.022 4.662 4.640 0.000 0.000 0.205 704 D C 0.533 176.521 176.300 -0.522 0.000 0.961 704 D CA 0.638 53.946 54.000 -1.153 0.000 0.853 704 D CB 0.217 40.318 40.800 -1.165 0.000 0.967 704 D HN 0.843 nan 8.370 nan 0.000 0.496 705 K N -0.604 119.585 120.400 -0.353 0.000 2.522 705 K HA 0.565 4.885 4.320 0.000 0.000 0.275 705 K C -3.296 173.214 176.600 -0.150 0.000 1.006 705 K CA -2.076 54.104 56.287 -0.179 0.000 0.890 705 K CB 1.308 33.754 32.500 -0.090 0.000 1.475 705 K HN -0.319 nan 8.250 nan 0.000 0.441 706 P HA 0.062 nan 4.420 nan 0.000 0.268 706 P C 0.524 177.789 177.300 -0.058 0.000 1.204 706 P CA 1.255 64.311 63.100 -0.073 0.000 0.768 706 P CB 0.630 32.301 31.700 -0.047 0.000 0.842 707 G N 1.598 110.366 108.800 -0.053 0.000 2.258 707 G HA2 -0.237 3.723 3.960 0.000 0.000 0.233 707 G HA3 -0.237 3.723 3.960 0.000 0.000 0.233 707 G C 0.492 175.370 174.900 -0.037 0.000 1.006 707 G CA -0.013 45.066 45.100 -0.036 0.000 0.620 707 G HN 0.576 nan 8.290 nan 0.000 0.511 708 S N 1.444 117.109 115.700 -0.059 0.000 2.584 708 S HA 0.420 4.890 4.470 0.000 0.000 0.270 708 S C 0.126 174.710 174.600 -0.027 0.000 1.346 708 S CA -0.264 57.912 58.200 -0.041 0.000 1.018 708 S CB 0.794 63.931 63.200 -0.104 0.000 0.899 708 S HN 0.369 nan 8.310 nan 0.000 0.542 709 D N 1.116 121.525 120.400 0.016 0.000 2.414 709 D HA 0.169 4.809 4.640 0.000 0.000 0.242 709 D C 0.266 176.547 176.300 -0.033 0.000 1.129 709 D CA 0.003 54.001 54.000 -0.005 0.000 0.885 709 D CB 0.330 41.129 40.800 -0.003 0.000 1.198 709 D HN 0.324 nan 8.370 nan 0.000 0.437 710 I N 1.851 122.361 120.570 -0.101 0.000 2.662 710 I HA 0.254 4.424 4.170 0.000 0.000 0.285 710 I C 1.331 177.172 176.117 -0.460 0.000 1.161 710 I CA 0.750 61.896 61.300 -0.257 0.000 1.415 710 I CB 0.178 38.075 38.000 -0.172 0.000 1.385 710 I HN 0.361 nan 8.210 nan 0.000 0.552 711 G N 5.801 114.163 108.800 -0.730 0.000 2.570 711 G HA2 0.458 4.418 3.960 0.000 0.000 0.310 711 G HA3 0.458 4.418 3.960 0.000 0.000 0.310 711 G C -1.926 172.425 174.900 -0.915 0.000 1.266 711 G CA -0.775 43.714 45.100 -1.019 0.000 0.825 711 G HN 0.307 nan 8.290 nan 0.000 0.483 712 L N 0.491 121.454 121.223 -0.434 0.000 2.275 712 L HA 0.801 5.142 4.340 0.000 0.000 0.288 712 L C -1.434 175.232 176.870 -0.340 0.000 1.046 712 L CA -0.906 53.897 54.840 -0.061 0.000 0.805 712 L CB 0.565 42.767 42.059 0.238 0.000 1.193 712 L HN 0.479 nan 8.230 nan 0.000 0.426 713 Y N 4.172 124.485 120.300 0.021 0.000 2.512 713 Y HA 0.654 5.204 4.550 0.000 0.000 0.348 713 Y C -0.201 175.805 175.900 0.177 0.000 0.990 713 Y CA -0.855 57.282 58.100 0.063 0.000 1.033 713 Y CB 1.697 40.113 38.460 -0.074 0.000 1.259 713 Y HN 0.434 nan 8.280 nan 0.000 0.461 714 R N 1.462 122.143 120.500 0.302 0.000 2.599 714 R HA 0.628 4.968 4.340 0.000 0.000 0.295 714 R C -1.309 174.987 176.300 -0.005 0.000 0.963 714 R CA -0.401 55.665 56.100 -0.057 0.000 0.883 714 R CB 2.092 32.135 30.300 -0.428 0.000 1.171 714 R HN 0.736 nan 8.270 nan 0.000 0.450 715 S N 1.961 117.454 115.700 -0.346 0.000 2.454 715 S HA 0.295 4.766 4.470 0.000 0.000 0.306 715 S C -0.254 174.102 174.600 -0.407 0.000 1.100 715 S CA -0.610 57.195 58.200 -0.658 0.000 1.087 715 S CB 1.189 63.471 63.200 -1.530 0.000 1.019 715 S HN 0.647 nan 8.310 nan 0.000 0.480 716 D N 2.477 122.714 120.400 -0.272 0.000 2.402 716 D HA 0.116 4.756 4.640 0.000 0.000 0.216 716 D C -0.541 175.676 176.300 -0.139 0.000 1.128 716 D CA 0.197 54.114 54.000 -0.139 0.000 0.833 716 D CB 0.450 41.225 40.800 -0.041 0.000 0.971 716 D HN 0.731 nan 8.370 nan 0.000 0.503 717 D N -0.658 119.616 120.400 -0.210 0.000 2.945 717 D HA 0.066 4.706 4.640 0.000 0.000 0.369 717 D C -0.246 175.967 176.300 -0.145 0.000 1.294 717 D CA -0.766 53.144 54.000 -0.150 0.000 0.778 717 D CB -1.070 39.644 40.800 -0.143 0.000 1.188 717 D HN -0.182 nan 8.370 nan 0.000 0.479 718 N N 0.560 119.196 118.700 -0.107 0.000 2.710 718 N HA -0.181 4.559 4.740 0.000 0.000 0.249 718 N C 1.015 176.556 175.510 0.053 0.000 1.059 718 N CA 0.943 54.021 53.050 0.047 0.000 0.720 718 N CB -0.893 37.654 38.487 0.101 0.000 0.983 718 N HN 0.704 nan 8.380 nan 0.000 0.544 719 G N -2.824 105.783 108.800 -0.321 0.000 2.159 719 G HA2 -0.304 3.656 3.960 0.000 0.000 0.227 719 G HA3 -0.304 3.656 3.960 0.000 0.000 0.227 719 G C 0.895 175.616 174.900 -0.297 0.000 0.986 719 G CA 0.371 45.211 45.100 -0.433 0.000 0.651 719 G HN 0.405 nan 8.290 nan 0.000 0.523 720 S N -0.665 114.865 115.700 -0.284 0.000 2.357 720 S HA 0.171 4.641 4.470 0.000 0.000 0.221 720 S C 1.187 175.647 174.600 -0.232 0.000 1.031 720 S CA 1.777 59.876 58.200 -0.168 0.000 0.982 720 S CB 0.096 63.225 63.200 -0.118 0.000 0.853 720 S HN 0.616 nan 8.310 nan 0.000 0.458 721 T N 0.818 115.111 114.554 -0.434 0.000 2.876 721 T HA 0.524 4.874 4.350 0.000 0.000 0.289 721 T C -1.737 172.635 174.700 -0.546 0.000 1.014 721 T CA -0.452 61.462 62.100 -0.310 0.000 0.986 721 T CB 1.011 69.785 68.868 -0.156 0.000 1.021 721 T HN 0.265 nan 8.240 nan 0.000 0.458 722 W N 1.194 122.481 121.300 -0.022 0.000 2.785 722 W HA 0.575 5.235 4.660 0.000 0.000 0.333 722 W C 0.053 176.625 176.519 0.089 0.000 1.062 722 W CA -0.784 56.568 57.345 0.011 0.000 1.233 722 W CB 1.688 31.125 29.460 -0.038 0.000 1.413 722 W HN 0.504 nan 8.180 nan 0.000 0.489 723 T N 2.318 117.075 114.554 0.339 0.000 2.797 723 T HA 0.496 4.846 4.350 0.000 0.000 0.279 723 T C -0.441 174.408 174.700 0.247 0.000 0.991 723 T CA -0.801 61.454 62.100 0.258 0.000 0.979 723 T CB 0.648 69.610 68.868 0.155 0.000 0.943 723 T HN 0.422 nan 8.240 nan 0.000 0.444 724 R N 3.942 124.526 120.500 0.139 0.000 2.489 724 R HA 0.348 4.689 4.340 0.000 0.000 0.287 724 R C 0.600 176.827 176.300 -0.122 0.000 1.053 724 R CA 0.181 56.157 56.100 -0.205 0.000 1.036 724 R CB 0.011 30.170 30.300 -0.234 0.000 0.966 724 R HN 0.565 nan 8.270 nan 0.000 0.432 725 V N 3.926 123.704 119.914 -0.227 0.000 2.492 725 V HA -0.022 4.098 4.120 0.000 0.000 0.241 725 V C 1.060 177.102 176.094 -0.086 0.000 1.041 725 V CA 1.404 63.541 62.300 -0.273 0.000 1.057 725 V CB -0.719 30.848 31.823 -0.426 0.000 0.711 725 V HN 0.923 nan 8.190 nan 0.000 0.468 726 N N 1.541 120.227 118.700 -0.024 0.000 2.547 726 N HA 0.262 5.003 4.740 0.000 0.000 0.301 726 N C -0.794 174.656 175.510 -0.099 0.000 1.328 726 N CA 0.224 53.275 53.050 0.003 0.000 0.932 726 N CB 1.002 39.541 38.487 0.086 0.000 1.104 726 N HN 0.467 nan 8.380 nan 0.000 0.548 727 D N -4.117 116.234 120.400 -0.081 0.000 2.779 727 D HA 0.051 4.691 4.640 0.000 0.000 0.331 727 D C 0.605 176.906 176.300 0.002 0.000 1.331 727 D CA -0.608 53.374 54.000 -0.030 0.000 0.866 727 D CB 0.537 41.342 40.800 0.009 0.000 1.409 727 D HN 0.394 nan 8.370 nan 0.000 0.486 728 Q N -0.672 119.135 119.800 0.013 0.000 2.133 728 Q HA -0.241 4.099 4.340 0.000 0.000 0.208 728 Q C 0.754 176.762 176.000 0.014 0.000 0.991 728 Q CA 2.115 57.933 55.803 0.024 0.000 0.867 728 Q CB -0.026 28.721 28.738 0.015 0.000 0.911 728 Q HN 0.532 nan 8.270 nan 0.000 0.417 729 E N -1.199 118.987 120.200 -0.023 0.000 2.478 729 E HA -0.022 4.328 4.350 0.000 0.000 0.194 729 E C -0.216 176.057 176.600 -0.545 0.000 1.045 729 E CA 0.366 56.671 56.400 -0.159 0.000 0.868 729 E CB 0.260 29.871 29.700 -0.149 0.000 0.885 729 E HN 0.355 nan 8.360 nan 0.000 0.505 730 H N -0.248 118.581 119.070 -0.403 0.000 2.355 730 H HA 0.330 4.887 4.556 0.000 0.000 0.232 730 H C 0.326 175.371 175.328 -0.470 0.000 1.422 730 H CA -0.264 55.363 56.048 -0.702 0.000 1.261 730 H CB 0.207 29.425 29.762 -0.906 0.000 1.595 730 H HN -0.016 nan 8.280 nan 0.000 0.529 731 N N 0.115 118.552 118.700 -0.438 0.000 2.545 731 N HA -0.055 4.685 4.740 0.000 0.000 0.190 731 N C -0.088 175.435 175.510 0.022 0.000 1.043 731 N CA 0.376 53.404 53.050 -0.037 0.000 0.879 731 N CB 0.481 38.993 38.487 0.041 0.000 1.210 731 N HN 0.403 nan 8.380 nan 0.000 0.437 732 Y N 0.802 121.061 120.300 -0.069 0.000 4.409 732 Y HA -0.311 4.239 4.550 0.000 0.000 0.228 732 Y C 0.953 176.796 175.900 -0.094 0.000 1.108 732 Y CA 0.763 58.807 58.100 -0.092 0.000 1.955 732 Y CB -2.575 35.852 38.460 -0.054 0.000 1.615 732 Y HN 0.269 nan 8.280 nan 0.000 0.665 733 S N -2.679 113.020 115.700 -0.002 0.000 3.228 733 S HA -0.009 4.461 4.470 0.000 0.000 0.282 733 S C 1.016 175.598 174.600 -0.030 0.000 1.286 733 S CA 1.019 59.215 58.200 -0.006 0.000 1.066 733 S CB -1.864 61.321 63.200 -0.025 0.000 1.277 733 S HN 2.558 nan 8.310 nan 0.000 0.661 734 G N 0.399 109.154 108.800 -0.075 0.000 2.733 734 G HA2 0.144 4.104 3.960 0.000 0.000 0.686 734 G HA3 0.144 4.104 3.960 0.000 0.000 0.686 734 G C -2.292 172.365 174.900 -0.406 0.000 1.373 734 G CA -0.298 44.578 45.100 -0.374 0.000 0.838 734 G HN 0.946 nan 8.290 nan 0.000 0.588 735 P HA 0.336 nan 4.420 nan 0.000 0.285 735 P C 0.895 178.011 177.300 -0.307 0.000 1.259 735 P CA -0.073 62.778 63.100 -0.416 0.000 0.794 735 P CB 1.334 32.770 31.700 -0.440 0.000 0.940 736 T N 1.471 115.934 114.554 -0.151 0.000 2.851 736 T HA 0.046 4.396 4.350 0.000 0.000 0.262 736 T C 1.055 175.726 174.700 -0.047 0.000 1.043 736 T CA 1.156 63.209 62.100 -0.077 0.000 1.140 736 T CB -0.235 68.614 68.868 -0.032 0.000 0.872 736 T HN 0.527 nan 8.240 nan 0.000 0.446 737 M N 0.969 120.544 119.600 -0.041 0.000 2.569 737 M HA 0.579 5.059 4.480 0.000 0.000 0.279 737 M C -1.782 174.520 176.300 0.004 0.000 1.253 737 M CA -1.738 53.563 55.300 0.003 0.000 0.867 737 M CB 1.562 34.183 32.600 0.035 0.000 1.727 737 M HN 0.164 nan 8.290 nan 0.000 0.467 738 I N -0.342 120.257 120.570 0.048 0.000 2.562 738 I HA 0.903 5.073 4.170 0.000 0.000 0.301 738 I C -1.071 175.085 176.117 0.066 0.000 1.003 738 I CA -0.469 60.865 61.300 0.057 0.000 1.127 738 I CB 2.119 40.177 38.000 0.095 0.000 1.304 738 I HN 0.850 nan 8.210 nan 0.000 0.446 739 E N 4.666 124.902 120.200 0.059 0.000 2.316 739 E HA 0.629 4.979 4.350 0.000 0.000 0.254 739 E C -1.102 175.529 176.600 0.052 0.000 0.902 739 E CA -0.502 55.951 56.400 0.089 0.000 0.801 739 E CB 1.668 31.437 29.700 0.115 0.000 1.270 739 E HN 0.916 nan 8.360 nan 0.000 0.414 740 A N 4.091 126.879 122.820 -0.053 0.000 2.425 740 A HA 0.269 4.589 4.320 0.000 0.000 0.249 740 A C 0.000 177.602 177.584 0.030 0.000 1.084 740 A CA -0.311 51.602 52.037 -0.206 0.000 0.781 740 A CB 0.363 19.284 19.000 -0.132 0.000 1.019 740 A HN 0.668 nan 8.150 nan 0.000 0.490 741 D N 3.189 123.592 120.400 0.004 0.000 2.325 741 D HA 0.205 4.845 4.640 0.000 0.000 0.251 741 D C -1.525 174.893 176.300 0.197 0.000 1.196 741 D CA -1.600 52.500 54.000 0.166 0.000 0.866 741 D CB 1.266 42.146 40.800 0.133 0.000 1.101 741 D HN 0.239 nan 8.370 nan 0.000 0.476 742 P HA -0.033 nan 4.420 nan 0.000 0.233 742 P C 0.480 178.114 177.300 0.557 0.000 1.167 742 P CA 0.690 64.034 63.100 0.407 0.000 0.770 742 P CB 0.460 32.249 31.700 0.147 0.000 0.837 743 K N -0.834 119.778 120.400 0.355 0.000 2.334 743 K HA 0.188 4.509 4.320 0.000 0.000 0.195 743 K C 0.314 177.035 176.600 0.201 0.000 1.045 743 K CA 0.350 56.814 56.287 0.294 0.000 1.004 743 K CB 0.633 33.269 32.500 0.227 0.000 0.837 743 K HN -0.037 nan 8.250 nan 0.000 0.510 744 V N 2.184 122.207 119.914 0.183 0.000 2.407 744 V HA 0.128 4.248 4.120 0.000 0.000 0.291 744 V C -0.906 175.286 176.094 0.163 0.000 1.018 744 V CA -1.171 61.212 62.300 0.139 0.000 0.842 744 V CB 0.698 32.568 31.823 0.078 0.000 0.996 744 V HN 0.125 nan 8.190 nan 0.000 0.426 745 Y N 4.190 124.541 120.300 0.085 0.000 2.610 745 Y HA 0.429 4.979 4.550 0.000 0.000 0.332 745 Y C 1.315 177.290 175.900 0.124 0.000 1.201 745 Y CA 1.189 59.352 58.100 0.106 0.000 1.465 745 Y CB 0.760 39.251 38.460 0.052 0.000 1.283 745 Y HN 0.984 nan 8.280 nan 0.000 0.563 746 G N 4.346 112.740 108.800 -0.678 0.000 2.225 746 G HA2 -0.339 3.621 3.960 0.000 0.000 0.254 746 G HA3 -0.339 3.621 3.960 0.000 0.000 0.254 746 G C 0.337 175.283 174.900 0.078 0.000 0.988 746 G CA 0.214 45.063 45.100 -0.419 0.000 0.625 746 G HN 0.850 nan 8.290 nan 0.000 0.527 747 R N 0.086 120.549 120.500 -0.061 0.000 2.254 747 R HA 0.646 4.986 4.340 0.000 0.000 0.318 747 R C -0.592 175.373 176.300 -0.559 0.000 1.031 747 R CA -0.110 55.852 56.100 -0.231 0.000 0.905 747 R CB 1.423 31.585 30.300 -0.231 0.000 1.050 747 R HN 0.509 nan 8.270 nan 0.000 0.456 748 V N 6.450 125.965 119.914 -0.664 0.000 2.638 748 V HA 0.432 4.552 4.120 0.000 0.000 0.306 748 V C -1.585 174.198 176.094 -0.519 0.000 1.052 748 V CA -0.706 61.148 62.300 -0.743 0.000 0.885 748 V CB 1.453 32.688 31.823 -0.981 0.000 0.999 748 V HN 0.765 nan 8.190 nan 0.000 0.424 749 Y N 6.420 126.622 120.300 -0.164 0.000 2.313 749 Y HA 0.649 5.199 4.550 0.000 0.000 0.332 749 Y C -0.125 175.728 175.900 -0.077 0.000 1.071 749 Y CA -0.733 57.317 58.100 -0.083 0.000 1.169 749 Y CB 1.296 39.697 38.460 -0.097 0.000 1.192 749 Y HN 0.420 nan 8.280 nan 0.000 0.487 750 L N 3.353 124.623 121.223 0.078 0.000 2.298 750 L HA 0.521 4.861 4.340 0.000 0.000 0.284 750 L C 0.575 177.437 176.870 -0.013 0.000 1.013 750 L CA -0.661 54.183 54.840 0.006 0.000 0.824 750 L CB 1.206 43.250 42.059 -0.025 0.000 1.221 750 L HN 0.794 nan 8.230 nan 0.000 0.418 751 G N 1.396 110.184 108.800 -0.019 0.000 2.333 751 G HA2 0.521 4.481 3.960 0.000 0.000 0.290 751 G HA3 0.521 4.481 3.960 0.000 0.000 0.290 751 G C 0.103 174.973 174.900 -0.050 0.000 1.150 751 G CA -0.112 44.971 45.100 -0.028 0.000 0.895 751 G HN 0.578 nan 8.290 nan 0.000 0.444 752 T N -0.348 114.182 114.554 -0.041 0.000 2.949 752 T HA 0.422 4.773 4.350 0.000 0.000 0.287 752 T C 0.009 174.704 174.700 -0.009 0.000 1.034 752 T CA -1.064 61.015 62.100 -0.035 0.000 1.018 752 T CB 2.006 70.864 68.868 -0.017 0.000 1.135 752 T HN 0.247 nan 8.240 nan 0.000 0.532 753 N N 0.049 118.748 118.700 -0.002 0.000 3.105 753 N HA 0.425 5.165 4.740 0.000 0.000 0.256 753 N C 0.962 176.489 175.510 0.028 0.000 1.174 753 N CA 0.563 53.625 53.050 0.020 0.000 1.030 753 N CB -0.348 38.154 38.487 0.025 0.000 1.305 753 N HN 1.168 nan 8.380 nan 0.000 0.509 754 G N 2.221 111.043 108.800 0.038 0.000 2.296 754 G HA2 -0.156 3.804 3.960 0.000 0.000 0.188 754 G HA3 -0.156 3.804 3.960 0.000 0.000 0.188 754 G C 0.631 175.572 174.900 0.067 0.000 1.000 754 G CA -0.465 44.664 45.100 0.049 0.000 0.672 754 G HN 0.434 nan 8.290 nan 0.000 0.483 755 R N 0.938 121.475 120.500 0.063 0.000 2.662 755 R HA 0.469 4.809 4.340 0.000 0.000 0.396 755 R C 1.399 177.734 176.300 0.059 0.000 1.096 755 R CA 0.792 56.948 56.100 0.093 0.000 1.081 755 R CB 0.088 30.470 30.300 0.137 0.000 1.382 755 R HN 1.393 nan 8.270 nan 0.000 0.580 756 G N 1.474 110.298 108.800 0.040 0.000 2.564 756 G HA2 -0.322 3.638 3.960 0.000 0.000 0.273 756 G HA3 -0.322 3.638 3.960 0.000 0.000 0.273 756 G C -0.085 174.807 174.900 -0.014 0.000 1.242 756 G CA -0.198 44.911 45.100 0.016 0.000 0.951 756 G HN 0.268 nan 8.290 nan 0.000 0.564 757 I N 0.435 120.997 120.570 -0.013 0.000 2.339 757 I HA 0.492 4.662 4.170 0.000 0.000 0.290 757 I C 0.311 176.444 176.117 0.028 0.000 0.994 757 I CA -0.866 60.428 61.300 -0.010 0.000 1.191 757 I CB 1.639 39.612 38.000 -0.046 0.000 1.343 757 I HN 0.349 nan 8.210 nan 0.000 0.458 758 V N 6.811 126.706 119.914 -0.032 0.000 2.532 758 V HA 0.422 4.542 4.120 0.000 0.000 0.295 758 V C -0.759 175.390 176.094 0.092 0.000 1.041 758 V CA -0.620 61.630 62.300 -0.083 0.000 0.926 758 V CB 1.477 33.009 31.823 -0.484 0.000 0.992 758 V HN 0.616 nan 8.190 nan 0.000 0.457 759 Y N 1.848 122.092 120.300 -0.093 0.000 2.477 759 Y HA 0.889 5.439 4.550 0.000 0.000 0.347 759 Y C -0.274 175.398 175.900 -0.379 0.000 0.981 759 Y CA -1.623 56.337 58.100 -0.234 0.000 1.033 759 Y CB 1.538 39.830 38.460 -0.280 0.000 1.245 759 Y HN 0.677 nan 8.280 nan 0.000 0.455 760 A N 3.201 125.711 122.820 -0.518 0.000 2.260 760 A HA 0.573 4.893 4.320 0.000 0.000 0.314 760 A C -1.181 176.266 177.584 -0.228 0.000 1.257 760 A CA -0.465 51.087 52.037 -0.807 0.000 0.871 760 A CB 0.294 18.588 19.000 -1.177 0.000 1.166 760 A HN 0.764 nan 8.150 nan 0.000 0.522 761 D N 1.899 122.221 120.400 -0.131 0.000 2.362 761 D HA 0.416 5.057 4.640 0.000 0.000 0.247 761 D C -0.195 175.968 176.300 -0.229 0.000 1.050 761 D CA -0.106 53.861 54.000 -0.054 0.000 0.839 761 D CB 1.526 42.310 40.800 -0.025 0.000 1.283 761 D HN 0.490 nan 8.370 nan 0.000 0.477 762 L N 1.763 122.714 121.223 -0.454 0.000 2.499 762 L HA 0.158 4.498 4.340 0.000 0.000 0.273 762 L C 1.027 177.749 176.870 -0.247 0.000 1.195 762 L CA 0.705 55.186 54.840 -0.599 0.000 0.882 762 L CB 0.746 42.505 42.059 -0.500 0.000 1.133 762 L HN 0.264 nan 8.230 nan 0.000 0.483 772 S N 1.517 117.254 115.700 0.061 0.000 2.560 772 S HA 0.284 4.755 4.470 0.000 0.000 0.284 772 S C 0.033 174.774 174.600 0.236 0.000 1.327 772 S CA 0.438 58.746 58.200 0.180 0.000 1.055 772 S CB 0.926 64.332 63.200 0.344 0.000 0.868 772 S HN 0.439 nan 8.310 nan 0.000 0.506 773 T N -0.960 113.664 114.554 0.116 0.000 2.916 773 T HA 0.895 5.246 4.350 0.000 0.000 0.292 773 T C -0.709 173.787 174.700 -0.339 0.000 1.064 773 T CA -0.783 61.266 62.100 -0.084 0.000 1.011 773 T CB 1.895 70.709 68.868 -0.089 0.000 1.152 773 T HN 0.881 nan 8.240 nan 0.000 0.510 774 A N 1.210 123.662 122.820 -0.613 0.000 2.608 774 A HA 0.800 5.121 4.320 0.000 0.000 0.292 774 A C -1.418 175.875 177.584 -0.486 0.000 1.066 774 A CA -1.142 50.461 52.037 -0.723 0.000 0.676 774 A CB 1.478 19.525 19.000 -1.589 0.000 1.277 774 A HN 1.252 nan 8.150 nan 0.000 0.413 775 K N -0.076 120.113 120.400 -0.352 0.000 2.532 775 K HA 0.652 4.972 4.320 0.000 0.000 0.265 775 K C -1.140 175.333 176.600 -0.213 0.000 0.948 775 K CA -0.616 55.532 56.287 -0.231 0.000 0.842 775 K CB 1.533 33.932 32.500 -0.167 0.000 1.392 775 K HN 0.589 nan 8.250 nan 0.000 0.436 776 c N 2.113 120.620 118.600 -0.155 0.000 2.576 776 c HA 0.284 4.854 4.570 0.000 0.000 0.401 776 c C 1.954 175.951 174.090 -0.154 0.000 1.314 776 c CA 0.137 56.381 56.329 -0.142 0.000 1.855 776 c CB -0.111 42.334 42.510 -0.109 0.000 2.537 776 c HN 0.988 nan 8.230 nan 0.000 0.578 777 A N 3.871 126.558 122.820 -0.222 0.000 1.978 777 A HA -0.177 4.143 4.320 0.000 0.000 0.220 777 A C 1.916 179.477 177.584 -0.038 0.000 1.170 777 A CA 2.156 54.097 52.037 -0.159 0.000 0.636 777 A CB -0.406 18.448 19.000 -0.243 0.000 0.810 777 A HN 0.956 nan 8.150 nan 0.000 0.448 778 N N -1.174 117.506 118.700 -0.033 0.000 2.383 778 N HA 0.258 4.998 4.740 0.000 0.000 0.192 778 N C 0.943 176.428 175.510 -0.041 0.000 1.141 778 N CA 1.076 54.119 53.050 -0.012 0.000 0.851 778 N CB -0.347 38.134 38.487 -0.010 0.000 0.976 778 N HN 0.799 nan 8.380 nan 0.000 0.465 779 G N -0.957 107.812 108.800 -0.053 0.000 2.157 779 G HA2 -0.281 3.679 3.960 0.000 0.000 0.248 779 G HA3 -0.281 3.679 3.960 0.000 0.000 0.248 779 G C -0.222 174.641 174.900 -0.063 0.000 0.979 779 G CA -0.018 45.051 45.100 -0.051 0.000 0.650 779 G HN 0.393 nan 8.290 nan 0.000 0.529 780 Q N 0.283 120.032 119.800 -0.085 0.000 2.417 780 Q HA 0.292 4.632 4.340 0.000 0.000 0.241 780 Q C 0.654 176.616 176.000 -0.064 0.000 1.008 780 Q CA -0.009 55.738 55.803 -0.094 0.000 0.901 780 Q CB 0.758 29.400 28.738 -0.160 0.000 1.259 780 Q HN 0.533 nan 8.270 nan 0.000 0.489 781 K N 0.359 120.735 120.400 -0.039 0.000 2.298 781 K HA 0.277 4.597 4.320 0.000 0.000 0.280 781 K C 0.603 177.207 176.600 0.007 0.000 1.032 781 K CA 0.780 57.058 56.287 -0.014 0.000 0.958 781 K CB 0.185 32.685 32.500 0.001 0.000 0.978 781 K HN 0.737 nan 8.250 nan 0.000 0.472 782 G N 2.450 111.247 108.800 -0.005 0.000 2.556 782 G HA2 -0.377 3.583 3.960 0.000 0.000 0.283 782 G HA3 -0.377 3.583 3.960 0.000 0.000 0.283 782 G C 0.493 175.394 174.900 0.001 0.000 1.177 782 G CA 0.596 45.701 45.100 0.009 0.000 0.978 782 G HN 0.771 nan 8.290 nan 0.000 0.554 783 T N -3.399 111.203 114.554 0.080 0.000 3.084 783 T HA 0.354 4.704 4.350 0.000 0.000 0.270 783 T C 0.583 175.452 174.700 0.281 0.000 1.008 783 T CA 0.936 63.106 62.100 0.116 0.000 0.900 783 T CB 0.062 69.010 68.868 0.132 0.000 1.084 783 T HN 0.870 nan 8.240 nan 0.000 0.538 784 H N 1.024 120.146 119.070 0.086 0.000 2.908 784 H HA 0.293 4.849 4.556 0.000 0.000 0.269 784 H C 0.193 175.336 175.328 -0.309 0.000 1.303 784 H CA -0.724 55.316 56.048 -0.014 0.000 1.341 784 H CB 0.140 29.919 29.762 0.030 0.000 1.519 784 H HN 0.345 nan 8.280 nan 0.000 0.505 785 c N 4.308 122.434 118.600 -0.790 0.000 2.539 785 c HA -0.031 4.539 4.570 0.000 0.000 0.268 785 c C 0.954 174.548 174.090 -0.826 0.000 1.395 785 c CA -0.404 55.541 56.329 -0.639 0.000 1.757 785 c CB -1.630 40.695 42.510 -0.309 0.000 1.851 785 c HN 0.722 nan 8.230 nan 0.000 0.545 786 Y N 1.165 120.506 120.300 -1.599 0.000 2.411 786 Y HA 0.453 5.003 4.550 0.000 0.000 0.333 786 Y C 0.113 175.590 175.900 -0.705 0.000 1.186 786 Y CA 0.472 57.882 58.100 -1.150 0.000 1.381 786 Y CB 0.388 37.973 38.460 -1.458 0.000 1.273 786 Y HN 0.025 nan 8.280 nan 0.000 0.546 787 V N 0.000 119.183 119.914 -1.219 0.000 2.409 787 V HA 0.000 4.120 4.120 0.000 0.000 0.244 787 V CA 0.000 61.721 62.300 -0.966 0.000 1.235 787 V CB 0.000 31.548 31.823 -0.459 0.000 1.184 787 V HN 0.000 nan 8.190 nan 0.000 0.556