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 1ar1_1_A DATA FIRST_RESID 17 DATA SEQUENCE GFFTRWFMST NHKDIGILYL FTAGIVGLIS VCFTVYMRME LQHPGVQYMc DATA SEQUENCE LEGARLIADA SAEcTPNGHL WNVMITYHGV LMMFFVVIPA LFGGFGNYFM DATA SEQUENCE PLHIGAPDMA FPRLNNLSYW MYVCGVALGV ASLLAPGGND QMGSGVGWVL DATA SEQUENCE YPPLSTTEAG YSMDLAIFAV HVSGASSILG AINIITTFLN MRAPGMTLFK DATA SEQUENCE VPLFAWSVFI TAWLILLSLP VLAGAITMLL MDRNFGTQFF DPAGGGDPVL DATA SEQUENCE YQHILWFFGH PEVYIIILPG FGIISHVIST FAKKPIFGYL PMVLAMAAIG DATA SEQUENCE ILGFVVWAHH MYTAGMSLTQ QAYFMLATMT IAVPTGIKVF SWIATMWGGS DATA SEQUENCE IEFKTPMLWA FGFLFLFTVG GVTGVVLSQA PLDRVYHDTY YVVAHFHYVM DATA SEQUENCE SLGAVFGIFA GVYYWIGKMS GRQYPEWAGQ LHFWMMFIGS NLIFFPQHFL DATA SEQUENCE GRQGMPRRYI DYPVEFAYWN NISSIGAYIS FASFLFFIGI VFYTLFAGKR DATA SEQUENCE VNVPNYWNEH ADTLEWTLPS PPPEHTFET 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 17 G HA2 0.000 nan 3.960 nan 0.000 0.244 17 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 17 G C 0.000 175.273 174.900 0.622 0.000 0.946 17 G CA 0.000 45.320 45.100 0.367 0.000 0.502 18 F N 3.189 123.392 119.950 0.421 0.000 2.506 18 F HA 0.270 4.795 4.527 -0.003 0.000 0.387 18 F C 1.392 177.465 175.800 0.456 0.000 1.053 18 F CA -1.399 56.801 58.000 0.334 0.000 1.083 18 F CB -0.335 38.767 39.000 0.170 0.000 1.010 18 F HN 0.332 nan 8.300 nan 0.000 0.551 19 F N 4.143 124.561 119.950 0.780 0.000 2.048 19 F HA -0.385 4.140 4.527 -0.003 0.000 0.296 19 F C 2.210 178.279 175.800 0.448 0.000 1.109 19 F CA 2.828 61.227 58.000 0.666 0.000 1.214 19 F CB -0.711 38.530 39.000 0.401 0.000 0.963 19 F HN 0.494 nan 8.300 nan 0.000 0.491 20 T N 0.648 115.305 114.554 0.172 0.000 2.737 20 T HA -0.176 4.172 4.350 -0.003 0.000 0.265 20 T C 2.170 176.586 174.700 -0.472 0.000 1.038 20 T CA 1.180 63.148 62.100 -0.220 0.000 1.144 20 T CB -0.308 68.395 68.868 -0.274 0.000 0.866 20 T HN 0.112 nan 8.240 nan 0.000 0.434 21 R N -0.351 119.645 120.500 -0.840 0.000 2.113 21 R HA -0.130 4.208 4.340 -0.003 0.000 0.244 21 R C 1.869 177.664 176.300 -0.842 0.000 1.142 21 R CA 1.775 57.371 56.100 -0.840 0.000 0.953 21 R CB -0.446 29.386 30.300 -0.781 0.000 0.860 21 R HN 0.512 nan 8.270 nan 0.000 0.438 22 W N -1.382 119.743 121.300 -0.292 0.000 3.185 22 W HA 0.110 4.768 4.660 -0.003 0.000 0.269 22 W C 2.121 178.338 176.519 -0.503 0.000 0.966 22 W CA -0.401 56.674 57.345 -0.449 0.000 2.064 22 W CB -1.111 27.974 29.460 -0.624 0.000 1.203 22 W HN -0.142 nan 8.180 nan 0.000 0.555 23 F N 0.394 120.331 119.950 -0.021 0.000 2.271 23 F HA -0.259 4.266 4.527 -0.003 0.000 0.302 23 F C 2.138 177.929 175.800 -0.014 0.000 1.063 23 F CA 1.095 59.027 58.000 -0.114 0.000 1.362 23 F CB -0.587 38.261 39.000 -0.253 0.000 1.060 23 F HN -0.107 nan 8.300 nan 0.000 0.521 24 M N -1.133 118.448 119.600 -0.032 0.000 2.371 24 M HA 0.137 4.615 4.480 -0.003 0.000 0.246 24 M C 0.954 177.222 176.300 -0.054 0.000 1.103 24 M CA 0.168 55.465 55.300 -0.005 0.000 1.010 24 M CB -0.561 32.004 32.600 -0.059 0.000 1.457 24 M HN -0.039 nan 8.290 nan 0.000 0.486 25 S N 1.061 116.674 115.700 -0.144 0.000 2.584 25 S HA 0.144 4.612 4.470 -0.003 0.000 0.270 25 S C 1.337 175.871 174.600 -0.111 0.000 1.346 25 S CA 0.598 58.685 58.200 -0.188 0.000 1.018 25 S CB 0.713 63.731 63.200 -0.302 0.000 0.899 25 S HN 0.548 nan 8.310 nan 0.000 0.542 26 T N 0.309 114.795 114.554 -0.113 0.000 2.975 26 T HA 0.207 4.555 4.350 -0.003 0.000 0.261 26 T C 0.424 175.071 174.700 -0.088 0.000 0.984 26 T CA -0.290 61.776 62.100 -0.055 0.000 0.911 26 T CB -0.498 68.362 68.868 -0.013 0.000 1.127 26 T HN 0.543 nan 8.240 nan 0.000 0.514 27 N N 3.378 121.972 118.700 -0.175 0.000 2.414 27 N HA -0.076 4.662 4.740 -0.003 0.000 0.268 27 N C 1.517 176.856 175.510 -0.284 0.000 1.286 27 N CA 0.197 53.100 53.050 -0.244 0.000 0.896 27 N CB 0.324 38.582 38.487 -0.383 0.000 1.093 27 N HN 0.497 nan 8.380 nan 0.000 0.480 28 H N 3.697 122.616 119.070 -0.253 0.000 2.394 28 H HA -0.218 4.336 4.556 -0.003 0.000 0.297 28 H C 0.818 175.922 175.328 -0.373 0.000 1.113 28 H CA 1.896 57.791 56.048 -0.255 0.000 1.277 28 H CB -0.046 29.562 29.762 -0.256 0.000 1.370 28 H HN 0.549 nan 8.280 nan 0.000 0.506 29 K N 0.607 120.151 120.400 -1.426 0.000 2.032 29 K HA -0.131 4.187 4.320 -0.003 0.000 0.209 29 K C 2.112 178.356 176.600 -0.595 0.000 1.048 29 K CA 1.828 57.267 56.287 -1.414 0.000 0.927 29 K CB 0.068 31.698 32.500 -1.451 0.000 0.712 29 K HN 0.393 nan 8.250 nan 0.000 0.441 30 D N 0.580 120.746 120.400 -0.390 0.000 2.123 30 D HA -0.102 4.536 4.640 -0.003 0.000 0.200 30 D C 1.975 178.208 176.300 -0.112 0.000 0.976 30 D CA 0.858 54.800 54.000 -0.097 0.000 0.831 30 D CB -0.066 40.625 40.800 -0.181 0.000 0.974 30 D HN 0.060 nan 8.370 nan 0.000 0.469 31 I N 1.651 122.112 120.570 -0.181 0.000 2.127 31 I HA -0.189 3.979 4.170 -0.003 0.000 0.241 31 I C 2.688 178.781 176.117 -0.040 0.000 1.075 31 I CA 1.386 62.584 61.300 -0.170 0.000 1.334 31 I CB -1.637 36.348 38.000 -0.025 0.000 1.040 31 I HN 0.001 nan 8.210 nan 0.000 0.405 32 G N 1.309 110.120 108.800 0.018 0.000 2.469 32 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.219 32 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.219 32 G C 1.787 176.699 174.900 0.020 0.000 1.150 32 G CA 0.720 45.860 45.100 0.066 0.000 0.763 32 G HN 0.385 nan 8.290 nan 0.000 0.561 33 I N 0.246 120.818 120.570 0.004 0.000 2.361 33 I HA -0.107 4.061 4.170 -0.003 0.000 0.251 33 I C 2.694 178.781 176.117 -0.049 0.000 1.133 33 I CA 0.481 61.770 61.300 -0.019 0.000 1.413 33 I CB -0.217 37.787 38.000 0.008 0.000 1.073 33 I HN 0.166 nan 8.210 nan 0.000 0.424 34 L N -0.562 120.513 121.223 -0.247 0.000 2.005 34 L HA -0.243 4.095 4.340 -0.003 0.000 0.207 34 L C 2.679 179.490 176.870 -0.098 0.000 1.072 34 L CA 1.671 56.221 54.840 -0.483 0.000 0.744 34 L CB -0.782 40.465 42.059 -1.354 0.000 0.895 34 L HN 0.132 nan 8.230 nan 0.000 0.433 35 Y N 0.168 120.419 120.300 -0.083 0.000 2.114 35 Y HA -0.305 4.243 4.550 -0.003 0.000 0.282 35 Y C 2.512 178.405 175.900 -0.011 0.000 1.165 35 Y CA 1.519 59.645 58.100 0.044 0.000 1.148 35 Y CB -0.480 37.927 38.460 -0.089 0.000 0.972 35 Y HN 0.060 nan 8.280 nan 0.000 0.504 36 L N -1.944 119.296 121.223 0.028 0.000 2.012 36 L HA -0.273 4.065 4.340 -0.003 0.000 0.210 36 L C 2.212 178.990 176.870 -0.154 0.000 1.073 36 L CA 1.581 56.312 54.840 -0.182 0.000 0.748 36 L CB -0.748 41.064 42.059 -0.412 0.000 0.891 36 L HN 0.193 nan 8.230 nan 0.000 0.431 37 F N 0.033 119.937 119.950 -0.076 0.000 2.146 37 F HA -0.174 4.351 4.527 -0.003 0.000 0.298 37 F C 2.683 178.524 175.800 0.067 0.000 1.096 37 F CA 1.611 59.581 58.000 -0.052 0.000 1.275 37 F CB -0.801 38.125 39.000 -0.122 0.000 1.008 37 F HN 0.012 nan 8.300 nan 0.000 0.480 38 T N -0.190 114.575 114.554 0.351 0.000 2.674 38 T HA -0.218 4.130 4.350 -0.003 0.000 0.265 38 T C 2.282 177.190 174.700 0.347 0.000 1.039 38 T CA 1.421 63.745 62.100 0.374 0.000 1.150 38 T CB -0.764 68.445 68.868 0.569 0.000 0.864 38 T HN 0.281 nan 8.240 nan 0.000 0.427 39 A N 1.337 124.374 122.820 0.362 0.000 1.972 39 A HA 0.129 4.447 4.320 -0.003 0.000 0.219 39 A C 2.592 180.296 177.584 0.200 0.000 1.169 39 A CA 1.790 54.004 52.037 0.295 0.000 0.635 39 A CB -1.308 17.809 19.000 0.195 0.000 0.810 39 A HN 0.521 nan 8.150 nan 0.000 0.446 40 G N 0.178 109.069 108.800 0.151 0.000 2.421 40 G HA2 -0.122 3.836 3.960 -0.003 0.000 0.216 40 G HA3 -0.122 3.836 3.960 -0.003 0.000 0.216 40 G C 1.375 176.413 174.900 0.230 0.000 1.171 40 G CA 1.127 46.325 45.100 0.162 0.000 0.775 40 G HN 0.343 nan 8.290 nan 0.000 0.543 41 I N 1.031 121.726 120.570 0.208 0.000 2.113 41 I HA -0.110 4.058 4.170 -0.003 0.000 0.238 41 I C 3.075 179.296 176.117 0.174 0.000 1.070 41 I CA 0.602 62.019 61.300 0.195 0.000 1.332 41 I CB -1.380 36.727 38.000 0.178 0.000 1.044 41 I HN 0.032 nan 8.210 nan 0.000 0.402 42 V N 1.519 121.529 119.914 0.160 0.000 2.324 42 V HA -0.249 3.869 4.120 -0.003 0.000 0.250 42 V C 2.708 178.868 176.094 0.109 0.000 1.060 42 V CA 2.086 64.459 62.300 0.122 0.000 1.042 42 V CB -1.701 30.224 31.823 0.169 0.000 0.650 42 V HN 0.557 nan 8.190 nan 0.000 0.450 43 G N -0.017 108.876 108.800 0.155 0.000 2.446 43 G HA2 -0.290 3.668 3.960 -0.003 0.000 0.217 43 G HA3 -0.290 3.668 3.960 -0.003 0.000 0.217 43 G C 1.569 176.556 174.900 0.145 0.000 1.168 43 G CA 1.201 46.372 45.100 0.118 0.000 0.771 43 G HN 0.457 nan 8.290 nan 0.000 0.551 44 L N 0.753 122.172 121.223 0.327 0.000 2.079 44 L HA -0.006 4.332 4.340 -0.003 0.000 0.210 44 L C 2.615 179.615 176.870 0.215 0.000 1.081 44 L CA 1.298 56.396 54.840 0.431 0.000 0.752 44 L CB -0.381 41.934 42.059 0.427 0.000 0.896 44 L HN 0.319 nan 8.230 nan 0.000 0.433 45 I N -1.522 119.090 120.570 0.070 0.000 2.110 45 I HA -0.293 3.875 4.170 -0.003 0.000 0.236 45 I C 2.577 178.442 176.117 -0.420 0.000 1.068 45 I CA 1.583 62.804 61.300 -0.131 0.000 1.333 45 I CB -0.630 37.276 38.000 -0.158 0.000 1.054 45 I HN 0.254 nan 8.210 nan 0.000 0.402 46 S N 0.086 115.558 115.700 -0.381 0.000 2.440 46 S HA -0.137 4.331 4.470 -0.003 0.000 0.240 46 S C 1.924 176.538 174.600 0.023 0.000 1.014 46 S CA 1.073 59.075 58.200 -0.331 0.000 0.980 46 S CB -0.205 62.950 63.200 -0.074 0.000 0.775 46 S HN 0.239 nan 8.310 nan 0.000 0.499 47 V N 0.061 120.001 119.914 0.042 0.000 2.535 47 V HA -0.095 4.023 4.120 -0.003 0.000 0.246 47 V C 2.450 178.631 176.094 0.144 0.000 1.045 47 V CA 1.368 63.752 62.300 0.140 0.000 1.058 47 V CB -0.576 31.323 31.823 0.127 0.000 0.689 47 V HN 0.637 nan 8.190 nan 0.000 0.461 48 C N -0.351 119.021 119.300 0.120 0.000 2.425 48 C HA -0.136 4.322 4.460 -0.003 0.000 0.277 48 C C 2.516 177.618 174.990 0.186 0.000 1.280 48 C CA 0.514 59.580 59.018 0.079 0.000 1.744 48 C CB -1.166 26.645 27.740 0.119 0.000 1.989 48 C HN 0.517 nan 8.230 nan 0.000 0.491 49 F N 0.942 120.924 119.950 0.054 0.000 2.069 49 F HA -0.156 4.368 4.527 -0.003 0.000 0.298 49 F C 2.713 178.494 175.800 -0.032 0.000 1.113 49 F CA 1.808 59.830 58.000 0.037 0.000 1.214 49 F CB -1.905 37.141 39.000 0.076 0.000 0.978 49 F HN 0.135 nan 8.300 nan 0.000 0.474 50 T N 0.325 114.955 114.554 0.128 0.000 2.685 50 T HA -0.169 4.179 4.350 -0.003 0.000 0.268 50 T C 2.303 177.003 174.700 -0.000 0.000 1.034 50 T CA 1.602 63.657 62.100 -0.075 0.000 1.149 50 T CB -0.492 68.340 68.868 -0.061 0.000 0.860 50 T HN 0.018 nan 8.240 nan 0.000 0.449 51 V N 0.018 119.940 119.914 0.014 0.000 2.407 51 V HA -0.131 3.987 4.120 -0.003 0.000 0.248 51 V C 1.981 178.119 176.094 0.073 0.000 1.055 51 V CA 1.610 63.907 62.300 -0.007 0.000 1.049 51 V CB -0.670 30.986 31.823 -0.278 0.000 0.662 51 V HN 0.510 nan 8.190 nan 0.000 0.455 52 Y N 0.429 120.683 120.300 -0.076 0.000 2.200 52 Y HA -0.198 4.350 4.550 -0.003 0.000 0.290 52 Y C 2.441 178.327 175.900 -0.024 0.000 1.137 52 Y CA 1.587 59.630 58.100 -0.094 0.000 1.163 52 Y CB -0.389 38.029 38.460 -0.070 0.000 0.988 52 Y HN 0.198 nan 8.280 nan 0.000 0.518 53 M N -0.738 118.871 119.600 0.015 0.000 2.149 53 M HA -0.237 4.241 4.480 -0.003 0.000 0.261 53 M C 2.059 178.497 176.300 0.230 0.000 1.064 53 M CA 1.553 56.875 55.300 0.037 0.000 1.102 53 M CB -0.246 32.242 32.600 -0.187 0.000 1.369 53 M HN -0.034 nan 8.290 nan 0.000 0.408 54 R N -0.086 120.476 120.500 0.104 0.000 2.189 54 R HA 0.072 4.410 4.340 -0.003 0.000 0.218 54 R C 1.875 178.237 176.300 0.105 0.000 1.074 54 R CA 1.018 57.164 56.100 0.076 0.000 0.991 54 R CB -0.364 29.924 30.300 -0.020 0.000 0.883 54 R HN 0.503 nan 8.270 nan 0.000 0.457 55 M N -0.292 119.347 119.600 0.065 0.000 2.254 55 M HA -0.114 4.364 4.480 -0.003 0.000 0.265 55 M C 1.946 178.291 176.300 0.076 0.000 1.066 55 M CA 1.301 56.593 55.300 -0.013 0.000 1.123 55 M CB -0.087 32.221 32.600 -0.486 0.000 1.388 55 M HN -0.116 nan 8.290 nan 0.000 0.425 56 E N 1.298 121.531 120.200 0.056 0.000 2.016 56 E HA -0.080 4.268 4.350 -0.003 0.000 0.190 56 E C 1.775 178.487 176.600 0.186 0.000 0.985 56 E CA 1.408 57.936 56.400 0.214 0.000 0.802 56 E CB -0.390 29.431 29.700 0.202 0.000 0.762 56 E HN 0.419 nan 8.360 nan 0.000 0.448 57 L N 0.770 122.100 121.223 0.178 0.000 2.353 57 L HA -0.145 4.193 4.340 -0.003 0.000 0.220 57 L C 2.685 179.672 176.870 0.195 0.000 1.133 57 L CA 0.988 55.959 54.840 0.218 0.000 0.798 57 L CB -0.458 41.688 42.059 0.146 0.000 0.922 57 L HN 0.351 nan 8.230 nan 0.000 0.445 58 Q N 0.115 119.966 119.800 0.085 0.000 2.045 58 Q HA -0.180 4.158 4.340 -0.003 0.000 0.206 58 Q C -0.027 175.883 176.000 -0.151 0.000 0.991 58 Q CA 1.578 57.322 55.803 -0.099 0.000 0.851 58 Q CB 0.115 28.789 28.738 -0.108 0.000 0.911 58 Q HN 0.524 nan 8.270 nan 0.000 0.418 59 H N -0.297 118.886 119.070 0.189 0.000 2.572 59 H HA 0.361 4.915 4.556 -0.003 0.000 0.359 59 H C -2.353 172.982 175.328 0.010 0.000 1.134 59 H CA -2.518 53.612 56.048 0.137 0.000 1.187 59 H CB 1.609 31.420 29.762 0.082 0.000 1.597 59 H HN 0.194 nan 8.280 nan 0.000 0.524 60 P HA 0.161 nan 4.420 nan 0.000 0.269 60 P C 0.091 177.255 177.300 -0.226 0.000 1.215 60 P CA 0.252 63.078 63.100 -0.457 0.000 0.780 60 P CB 0.766 32.268 31.700 -0.331 0.000 0.898 61 G N 0.513 109.148 108.800 -0.274 0.000 3.039 61 G HA2 -0.094 3.865 3.960 -0.003 0.000 0.686 61 G HA3 -0.094 3.865 3.960 -0.003 0.000 0.686 61 G C -0.724 174.102 174.900 -0.123 0.000 1.066 61 G CA -0.759 44.246 45.100 -0.158 0.000 0.774 61 G HN 0.408 nan 8.290 nan 0.000 0.591 62 V N 4.077 123.930 119.914 -0.102 0.000 2.421 62 V HA 0.273 4.391 4.120 -0.003 0.000 0.271 62 V C 1.379 177.438 176.094 -0.059 0.000 1.031 62 V CA 1.193 63.458 62.300 -0.059 0.000 1.032 62 V CB 1.180 32.978 31.823 -0.042 0.000 1.009 62 V HN 0.919 nan 8.190 nan 0.000 0.477 63 Q N 3.638 123.397 119.800 -0.069 0.000 2.164 63 Q HA 0.122 4.460 4.340 -0.003 0.000 0.226 63 Q C 0.162 175.945 176.000 -0.361 0.000 0.813 63 Q CA 0.296 55.970 55.803 -0.215 0.000 0.978 63 Q CB 0.324 28.888 28.738 -0.289 0.000 1.149 63 Q HN 0.714 nan 8.270 nan 0.000 0.489 64 Y N 0.274 120.579 120.300 0.008 0.000 2.846 64 Y HA 0.380 4.928 4.550 -0.003 0.000 0.258 64 Y C 1.298 177.242 175.900 0.074 0.000 1.077 64 Y CA -0.036 58.081 58.100 0.029 0.000 1.270 64 Y CB 0.553 38.946 38.460 -0.111 0.000 1.476 64 Y HN -0.086 nan 8.280 nan 0.000 0.460 65 M N 1.519 121.242 119.600 0.205 0.000 3.706 65 M HA 0.159 4.637 4.480 -0.003 0.000 0.204 65 M C -0.734 175.652 176.300 0.144 0.000 1.455 65 M CA -0.149 55.270 55.300 0.198 0.000 1.659 65 M CB -0.880 31.845 32.600 0.208 0.000 1.076 65 M HN 0.192 nan 8.290 nan 0.000 0.577 66 c N 0.862 119.536 118.600 0.125 0.000 2.657 66 c HA 0.067 4.635 4.570 -0.003 0.000 0.404 66 c C 1.939 176.079 174.090 0.084 0.000 1.291 66 c CA -0.734 55.642 56.329 0.079 0.000 2.218 66 c CB 0.464 43.010 42.510 0.059 0.000 2.687 66 c HN 0.684 nan 8.230 nan 0.000 0.634 67 L N 2.095 123.354 121.223 0.061 0.000 2.270 67 L HA 0.022 4.360 4.340 -0.003 0.000 0.210 67 L C 2.293 179.192 176.870 0.049 0.000 1.104 67 L CA 1.694 56.569 54.840 0.058 0.000 0.804 67 L CB -0.641 41.444 42.059 0.044 0.000 0.937 67 L HN 0.763 nan 8.230 nan 0.000 0.450 68 E N -0.195 120.030 120.200 0.042 0.000 2.416 68 E HA 0.293 4.641 4.350 -0.003 0.000 0.189 68 E C 0.454 177.080 176.600 0.043 0.000 1.091 68 E CA 0.564 56.985 56.400 0.035 0.000 0.889 68 E CB -0.473 29.241 29.700 0.025 0.000 1.015 68 E HN 0.307 nan 8.360 nan 0.000 0.479 69 G N 0.431 109.267 108.800 0.059 0.000 3.101 69 G HA2 0.185 4.143 3.960 -0.003 0.000 0.672 69 G HA3 0.185 4.143 3.960 -0.003 0.000 0.672 69 G C -0.410 174.549 174.900 0.099 0.000 1.331 69 G CA -0.591 44.551 45.100 0.069 0.000 0.925 69 G HN 0.430 nan 8.290 nan 0.000 0.596 70 A N 2.751 125.646 122.820 0.125 0.000 2.488 70 A HA 0.716 5.034 4.320 -0.003 0.000 0.249 70 A C 0.940 178.645 177.584 0.202 0.000 1.083 70 A CA 0.419 52.575 52.037 0.198 0.000 0.768 70 A CB 0.282 19.409 19.000 0.212 0.000 1.017 70 A HN 0.866 nan 8.150 nan 0.000 0.496 71 R N 1.795 122.469 120.500 0.291 0.000 2.832 71 R HA 0.567 4.905 4.340 -0.003 0.000 0.271 71 R C 0.105 176.668 176.300 0.439 0.000 0.996 71 R CA -0.851 55.411 56.100 0.271 0.000 0.977 71 R CB 1.276 31.687 30.300 0.186 0.000 1.168 71 R HN 0.679 nan 8.270 nan 0.000 0.482 72 L N 0.862 122.273 121.223 0.313 0.000 2.515 72 L HA 0.307 4.645 4.340 -0.003 0.000 0.223 72 L C 0.064 177.181 176.870 0.412 0.000 1.079 72 L CA 0.412 55.448 54.840 0.326 0.000 0.857 72 L CB 0.503 42.641 42.059 0.133 0.000 1.050 72 L HN 0.437 nan 8.230 nan 0.000 0.476 73 I N 0.611 121.360 120.570 0.298 0.000 2.389 73 I HA 0.336 4.504 4.170 -0.003 0.000 0.288 73 I C 0.444 176.609 176.117 0.080 0.000 0.999 73 I CA -0.695 60.735 61.300 0.216 0.000 1.129 73 I CB 1.334 39.406 38.000 0.120 0.000 1.288 73 I HN -0.136 nan 8.210 nan 0.000 0.444 74 A N 4.916 127.688 122.820 -0.079 0.000 2.425 74 A HA 0.379 4.697 4.320 -0.003 0.000 0.249 74 A C -0.310 177.196 177.584 -0.131 0.000 1.084 74 A CA -0.011 51.848 52.037 -0.297 0.000 0.781 74 A CB 0.181 18.864 19.000 -0.528 0.000 1.019 74 A HN 0.664 nan 8.150 nan 0.000 0.490 75 D N 0.794 121.122 120.400 -0.120 0.000 2.696 75 D HA 0.582 5.220 4.640 -0.003 0.000 0.251 75 D C 0.651 176.907 176.300 -0.073 0.000 1.188 75 D CA 0.318 54.277 54.000 -0.068 0.000 0.876 75 D CB 1.790 42.569 40.800 -0.036 0.000 1.334 75 D HN 0.416 nan 8.370 nan 0.000 0.540 76 A N 2.128 124.910 122.820 -0.063 0.000 1.898 76 A HA -0.061 4.257 4.320 -0.003 0.000 0.214 76 A C 1.815 179.374 177.584 -0.042 0.000 1.183 76 A CA 1.442 53.444 52.037 -0.059 0.000 0.622 76 A CB -0.309 18.658 19.000 -0.055 0.000 0.824 76 A HN 0.536 nan 8.150 nan 0.000 0.444 77 S N -0.528 115.153 115.700 -0.032 0.000 2.555 77 S HA 0.429 4.897 4.470 -0.003 0.000 0.230 77 S C 0.741 175.330 174.600 -0.020 0.000 0.978 77 S CA 0.405 58.591 58.200 -0.022 0.000 0.934 77 S CB -0.388 62.802 63.200 -0.016 0.000 0.766 77 S HN 0.899 nan 8.310 nan 0.000 0.533 78 A N 1.588 124.394 122.820 -0.024 0.000 2.267 78 A HA 0.615 4.933 4.320 -0.003 0.000 0.315 78 A C -0.152 177.418 177.584 -0.023 0.000 1.297 78 A CA -0.623 51.404 52.037 -0.018 0.000 0.865 78 A CB 0.520 19.512 19.000 -0.013 0.000 1.165 78 A HN 0.307 nan 8.150 nan 0.000 0.513 79 E N 1.356 121.546 120.200 -0.017 0.000 2.652 79 E HA 0.074 4.422 4.350 -0.003 0.000 0.255 79 E C -0.535 176.056 176.600 -0.015 0.000 0.952 79 E CA 0.537 56.927 56.400 -0.017 0.000 0.947 79 E CB 0.308 30.002 29.700 -0.010 0.000 0.912 79 E HN 0.600 nan 8.360 nan 0.000 0.489 80 c N 6.039 124.625 118.600 -0.022 0.000 2.335 80 c HA 0.460 5.028 4.570 -0.003 0.000 0.318 80 c C -0.434 173.649 174.090 -0.012 0.000 1.150 80 c CA -0.435 55.884 56.329 -0.016 0.000 1.466 80 c CB -0.414 42.074 42.510 -0.035 0.000 2.024 80 c HN 0.769 nan 8.230 nan 0.000 0.429 81 T N 9.289 123.845 114.554 0.002 0.000 2.780 81 T HA 0.315 4.663 4.350 -0.003 0.000 0.294 81 T C -2.370 172.338 174.700 0.014 0.000 0.949 81 T CA -0.397 61.706 62.100 0.004 0.000 1.074 81 T CB 0.965 69.838 68.868 0.010 0.000 0.910 81 T HN 0.645 nan 8.240 nan 0.000 0.501 82 P HA -0.032 nan 4.420 nan 0.000 0.260 82 P C -0.342 176.983 177.300 0.043 0.000 1.172 82 P CA -0.051 63.056 63.100 0.011 0.000 0.760 82 P CB 0.408 32.095 31.700 -0.022 0.000 0.773 83 N N 2.645 121.393 118.700 0.080 0.000 3.091 83 N HA 0.155 4.894 4.740 -0.003 0.000 0.255 83 N C 1.659 177.268 175.510 0.164 0.000 1.204 83 N CA -0.292 52.831 53.050 0.121 0.000 0.990 83 N CB -0.346 38.225 38.487 0.140 0.000 1.260 83 N HN 0.404 nan 8.380 nan 0.000 0.502 84 G N 0.669 109.551 108.800 0.137 0.000 2.469 84 G HA2 -0.332 3.626 3.960 -0.003 0.000 0.220 84 G HA3 -0.332 3.626 3.960 -0.003 0.000 0.220 84 G C 1.304 176.342 174.900 0.230 0.000 1.136 84 G CA 1.115 46.312 45.100 0.163 0.000 0.759 84 G HN 0.697 nan 8.290 nan 0.000 0.562 85 H N -0.171 118.978 119.070 0.131 0.000 2.319 85 H HA -0.030 4.524 4.556 -0.003 0.000 0.299 85 H C 2.361 177.769 175.328 0.134 0.000 1.092 85 H CA 1.571 57.692 56.048 0.122 0.000 1.302 85 H CB -0.210 29.602 29.762 0.083 0.000 1.373 85 H HN 0.236 nan 8.280 nan 0.000 0.497 86 L N 0.073 121.397 121.223 0.168 0.000 2.042 86 L HA -0.185 4.153 4.340 -0.003 0.000 0.210 86 L C 2.383 179.290 176.870 0.062 0.000 1.076 86 L CA 1.950 56.853 54.840 0.106 0.000 0.749 86 L CB -1.060 41.108 42.059 0.180 0.000 0.893 86 L HN 0.549 nan 8.230 nan 0.000 0.432 87 W N 0.576 121.887 121.300 0.017 0.000 2.332 87 W HA -0.288 4.369 4.660 -0.003 0.000 0.321 87 W C 2.188 178.719 176.519 0.020 0.000 1.219 87 W CA 1.928 59.290 57.345 0.027 0.000 1.277 87 W CB -0.473 29.015 29.460 0.046 0.000 1.161 87 W HN 0.331 nan 8.180 nan 0.000 0.476 88 N N 0.620 119.387 118.700 0.112 0.000 2.137 88 N HA -0.189 4.549 4.740 -0.003 0.000 0.190 88 N C 1.683 177.131 175.510 -0.104 0.000 1.017 88 N CA 2.085 55.148 53.050 0.021 0.000 0.859 88 N CB -1.065 37.446 38.487 0.040 0.000 1.002 88 N HN 0.071 nan 8.380 nan 0.000 0.428 89 V N 1.213 121.028 119.914 -0.164 0.000 2.307 89 V HA -0.191 3.927 4.120 -0.003 0.000 0.245 89 V C 2.355 178.445 176.094 -0.006 0.000 1.045 89 V CA 1.239 63.513 62.300 -0.044 0.000 1.024 89 V CB -0.365 31.382 31.823 -0.125 0.000 0.651 89 V HN 0.229 nan 8.190 nan 0.000 0.449 90 M N 0.089 119.551 119.600 -0.231 0.000 2.073 90 M HA -0.196 4.282 4.480 -0.003 0.000 0.258 90 M C 2.397 178.610 176.300 -0.146 0.000 1.070 90 M CA 2.374 57.468 55.300 -0.344 0.000 1.103 90 M CB -1.287 31.032 32.600 -0.468 0.000 1.321 90 M HN 0.556 nan 8.290 nan 0.000 0.405 91 I N -2.211 118.195 120.570 -0.274 0.000 2.226 91 I HA -0.213 3.955 4.170 -0.003 0.000 0.245 91 I C 2.109 178.306 176.117 0.133 0.000 1.100 91 I CA 1.657 62.922 61.300 -0.058 0.000 1.374 91 I CB -1.075 36.864 38.000 -0.101 0.000 1.057 91 I HN 0.120 nan 8.210 nan 0.000 0.413 92 T N 0.533 115.121 114.554 0.056 0.000 2.708 92 T HA -0.153 4.195 4.350 -0.003 0.000 0.266 92 T C 1.686 176.349 174.700 -0.062 0.000 1.037 92 T CA 2.039 64.139 62.100 0.001 0.000 1.146 92 T CB -0.489 68.289 68.868 -0.150 0.000 0.865 92 T HN 0.443 nan 8.240 nan 0.000 0.435 93 Y N 0.152 120.582 120.300 0.216 0.000 2.337 93 Y HA -0.018 4.530 4.550 -0.003 0.000 0.293 93 Y C 2.507 178.694 175.900 0.480 0.000 1.123 93 Y CA 0.986 59.299 58.100 0.355 0.000 1.201 93 Y CB -0.512 38.163 38.460 0.359 0.000 1.011 93 Y HN 0.385 nan 8.280 nan 0.000 0.545 94 H N -0.610 118.760 119.070 0.500 0.000 2.293 94 H HA -0.110 4.444 4.556 -0.003 0.000 0.300 94 H C 2.434 177.851 175.328 0.149 0.000 1.082 94 H CA 1.971 58.244 56.048 0.376 0.000 1.308 94 H CB -0.683 29.253 29.762 0.291 0.000 1.375 94 H HN 0.253 nan 8.280 nan 0.000 0.495 95 G N -0.169 108.623 108.800 -0.012 0.000 2.422 95 G HA2 -0.179 3.779 3.960 -0.003 0.000 0.218 95 G HA3 -0.179 3.779 3.960 -0.003 0.000 0.218 95 G C 1.830 176.638 174.900 -0.154 0.000 1.140 95 G CA 0.981 45.905 45.100 -0.293 0.000 0.775 95 G HN 0.398 nan 8.290 nan 0.000 0.545 96 V N 0.905 120.921 119.914 0.170 0.000 2.323 96 V HA -0.069 4.049 4.120 -0.003 0.000 0.244 96 V C 2.897 179.204 176.094 0.355 0.000 1.041 96 V CA 1.212 63.749 62.300 0.395 0.000 1.025 96 V CB -0.388 31.622 31.823 0.311 0.000 0.656 96 V HN 0.327 nan 8.190 nan 0.000 0.451 97 L N -1.157 120.256 121.223 0.318 0.000 1.989 97 L HA -0.222 4.116 4.340 -0.003 0.000 0.211 97 L C 2.697 179.623 176.870 0.093 0.000 1.071 97 L CA 1.448 56.495 54.840 0.343 0.000 0.749 97 L CB -0.638 41.557 42.059 0.226 0.000 0.890 97 L HN 0.302 nan 8.230 nan 0.000 0.431 98 M N -0.814 118.706 119.600 -0.133 0.000 2.065 98 M HA -0.194 4.284 4.480 -0.003 0.000 0.259 98 M C 2.277 178.349 176.300 -0.379 0.000 1.071 98 M CA 1.840 56.966 55.300 -0.289 0.000 1.109 98 M CB -0.898 31.396 32.600 -0.511 0.000 1.313 98 M HN 0.228 nan 8.290 nan 0.000 0.408 99 M N -1.526 117.723 119.600 -0.585 0.000 2.460 99 M HA -0.067 4.411 4.480 -0.003 0.000 0.263 99 M C 1.405 177.183 176.300 -0.870 0.000 1.071 99 M CA 1.286 56.071 55.300 -0.858 0.000 1.096 99 M CB -0.948 30.849 32.600 -1.339 0.000 1.408 99 M HN 0.161 nan 8.290 nan 0.000 0.463 100 F N -2.505 117.233 119.950 -0.353 0.000 2.658 100 F HA 0.169 4.694 4.527 -0.003 0.000 0.293 100 F C 0.974 176.428 175.800 -0.577 0.000 0.986 100 F CA -0.097 57.558 58.000 -0.575 0.000 1.182 100 F CB 0.013 38.379 39.000 -1.056 0.000 0.965 100 F HN -0.154 nan 8.300 nan 0.000 0.659 101 F N -0.656 119.496 119.950 0.336 0.000 2.708 101 F HA 0.431 4.956 4.527 -0.003 0.000 0.300 101 F C 0.780 176.772 175.800 0.320 0.000 1.118 101 F CA -0.248 57.987 58.000 0.393 0.000 1.307 101 F CB -0.147 39.005 39.000 0.254 0.000 0.986 101 F HN -0.236 nan 8.300 nan 0.000 0.522 102 V N -2.372 117.681 119.914 0.233 0.000 4.138 102 V HA 0.006 4.124 4.120 -0.003 0.000 0.171 102 V C 1.684 177.801 176.094 0.039 0.000 1.315 102 V CA 0.317 62.706 62.300 0.148 0.000 1.238 102 V CB 0.016 31.879 31.823 0.067 0.000 1.358 102 V HN -0.070 nan 8.190 nan 0.000 0.587 103 V N 0.974 120.855 119.914 -0.054 0.000 2.223 103 V HA -0.237 3.881 4.120 -0.003 0.000 0.244 103 V C 2.242 178.305 176.094 -0.052 0.000 1.045 103 V CA 2.848 65.099 62.300 -0.082 0.000 1.000 103 V CB -0.381 31.349 31.823 -0.155 0.000 0.635 103 V HN 0.453 nan 8.190 nan 0.000 0.445 104 I N -0.084 120.439 120.570 -0.078 0.000 2.163 104 I HA -0.185 3.984 4.170 -0.003 0.000 0.243 104 I C -0.185 175.917 176.117 -0.026 0.000 1.085 104 I CA 1.716 62.983 61.300 -0.056 0.000 1.347 104 I CB -1.679 36.256 38.000 -0.108 0.000 1.044 104 I HN 0.357 nan 8.210 nan 0.000 0.408 105 P HA -0.193 nan 4.420 nan 0.000 0.216 105 P C 1.473 178.683 177.300 -0.150 0.000 1.150 105 P CA 1.932 64.927 63.100 -0.176 0.000 0.843 105 P CB 0.004 31.577 31.700 -0.212 0.000 0.787 106 A N -1.380 121.409 122.820 -0.052 0.000 1.929 106 A HA -0.096 4.222 4.320 -0.003 0.000 0.216 106 A C 2.154 179.738 177.584 0.001 0.000 1.176 106 A CA 1.231 53.222 52.037 -0.077 0.000 0.628 106 A CB -1.358 17.610 19.000 -0.053 0.000 0.816 106 A HN 0.105 nan 8.150 nan 0.000 0.444 107 L N -2.817 118.486 121.223 0.133 0.000 2.084 107 L HA 0.031 4.369 4.340 -0.003 0.000 0.202 107 L C 2.438 179.499 176.870 0.318 0.000 1.074 107 L CA 1.149 56.185 54.840 0.328 0.000 0.757 107 L CB -0.496 41.715 42.059 0.254 0.000 0.918 107 L HN 0.440 nan 8.230 nan 0.000 0.444 108 F N 0.655 120.605 119.950 0.000 0.000 2.094 108 F HA 0.015 4.540 4.527 -0.003 0.000 0.291 108 F C 2.258 177.935 175.800 -0.205 0.000 1.109 108 F CA 1.566 59.524 58.000 -0.071 0.000 1.221 108 F CB -0.519 38.414 39.000 -0.112 0.000 1.014 108 F HN -0.058 nan 8.300 nan 0.000 0.473 109 G N -0.865 107.760 108.800 -0.293 0.000 2.484 109 G HA2 0.028 3.986 3.960 -0.003 0.000 0.218 109 G HA3 0.028 3.986 3.960 -0.003 0.000 0.218 109 G C 1.601 176.124 174.900 -0.628 0.000 1.130 109 G CA 0.662 45.181 45.100 -0.968 0.000 0.784 109 G HN 0.624 nan 8.290 nan 0.000 0.543 110 G N 0.616 109.229 108.800 -0.311 0.000 2.632 110 G HA2 0.167 4.125 3.960 -0.003 0.000 0.220 110 G HA3 0.167 4.125 3.960 -0.003 0.000 0.220 110 G C 1.292 176.108 174.900 -0.140 0.000 1.439 110 G CA 0.240 45.191 45.100 -0.248 0.000 0.934 110 G HN 0.151 nan 8.290 nan 0.000 0.536 111 F N 2.086 122.114 119.950 0.128 0.000 2.202 111 F HA 0.033 4.559 4.527 -0.003 0.000 0.301 111 F C 2.859 178.882 175.800 0.371 0.000 1.082 111 F CA 0.889 59.040 58.000 0.252 0.000 1.313 111 F CB -0.762 38.436 39.000 0.330 0.000 1.024 111 F HN 0.231 nan 8.300 nan 0.000 0.495 112 G N -0.300 108.738 108.800 0.397 0.000 2.402 112 G HA2 -0.237 3.721 3.960 -0.003 0.000 0.216 112 G HA3 -0.237 3.721 3.960 -0.003 0.000 0.216 112 G C 1.759 176.635 174.900 -0.041 0.000 1.162 112 G CA 0.785 45.940 45.100 0.091 0.000 0.777 112 G HN 0.244 nan 8.290 nan 0.000 0.539 113 N N -0.622 118.023 118.700 -0.090 0.000 2.171 113 N HA -0.070 4.668 4.740 -0.003 0.000 0.184 113 N C 1.849 177.379 175.510 0.034 0.000 1.021 113 N CA 0.766 53.777 53.050 -0.064 0.000 0.854 113 N CB -0.333 38.123 38.487 -0.052 0.000 0.994 113 N HN 0.363 nan 8.380 nan 0.000 0.426 114 Y N 0.432 120.637 120.300 -0.158 0.000 2.109 114 Y HA -0.115 4.433 4.550 -0.003 0.000 0.285 114 Y C 1.873 177.488 175.900 -0.475 0.000 1.131 114 Y CA 1.632 59.505 58.100 -0.379 0.000 1.121 114 Y CB -0.507 37.540 38.460 -0.689 0.000 0.987 114 Y HN -0.079 nan 8.280 nan 0.000 0.495 115 F N -1.573 118.404 119.950 0.043 0.000 2.387 115 F HA -0.116 4.409 4.527 -0.003 0.000 0.294 115 F C 2.528 178.163 175.800 -0.275 0.000 1.093 115 F CA 0.823 58.647 58.000 -0.293 0.000 1.420 115 F CB -0.649 37.843 39.000 -0.846 0.000 1.086 115 F HN 0.033 nan 8.300 nan 0.000 0.531 116 M N 1.066 120.737 119.600 0.119 0.000 2.089 116 M HA -0.188 4.290 4.480 -0.003 0.000 0.257 116 M C -0.946 175.372 176.300 0.031 0.000 1.071 116 M CA 2.433 57.786 55.300 0.088 0.000 1.096 116 M CB -1.596 31.010 32.600 0.010 0.000 1.330 116 M HN -0.047 nan 8.290 nan 0.000 0.403 117 P HA -0.130 nan 4.420 nan 0.000 0.214 117 P C 1.816 179.113 177.300 -0.006 0.000 1.162 117 P CA 1.257 64.228 63.100 -0.215 0.000 0.879 117 P CB -0.227 31.010 31.700 -0.773 0.000 0.786 118 L N -1.369 119.863 121.223 0.014 0.000 2.013 118 L HA -0.256 4.082 4.340 -0.003 0.000 0.212 118 L C 2.475 179.612 176.870 0.445 0.000 1.073 118 L CA 1.945 56.916 54.840 0.217 0.000 0.753 118 L CB -1.433 40.706 42.059 0.134 0.000 0.890 118 L HN 0.224 nan 8.230 nan 0.000 0.432 119 H N -0.015 119.235 119.070 0.301 0.000 2.456 119 H HA -0.095 4.460 4.556 -0.003 0.000 0.296 119 H C 1.916 177.351 175.328 0.178 0.000 1.079 119 H CA 1.217 57.446 56.048 0.303 0.000 1.322 119 H CB 0.096 30.090 29.762 0.387 0.000 1.388 119 H HN 0.499 nan 8.280 nan 0.000 0.538 120 I N -3.751 116.949 120.570 0.216 0.000 3.976 120 I HA 0.420 4.588 4.170 -0.003 0.000 0.337 120 I C 1.099 177.171 176.117 -0.075 0.000 1.359 120 I CA 0.235 61.542 61.300 0.011 0.000 1.098 120 I CB 0.834 38.763 38.000 -0.119 0.000 1.027 120 I HN 0.109 nan 8.210 nan 0.000 0.394 121 G N 1.782 110.561 108.800 -0.034 0.000 2.198 121 G HA2 -0.136 3.823 3.960 -0.003 0.000 0.257 121 G HA3 -0.136 3.823 3.960 -0.003 0.000 0.257 121 G C 0.147 175.029 174.900 -0.030 0.000 1.042 121 G CA 0.072 44.926 45.100 -0.410 0.000 0.791 121 G HN 0.954 nan 8.290 nan 0.000 0.502 122 A N 0.083 123.024 122.820 0.201 0.000 2.324 122 A HA 0.906 5.224 4.320 -0.003 0.000 0.330 122 A C -0.385 177.275 177.584 0.126 0.000 1.165 122 A CA -1.032 51.058 52.037 0.089 0.000 0.813 122 A CB 1.584 20.541 19.000 -0.073 0.000 1.197 122 A HN 0.070 nan 8.150 nan 0.000 0.484 123 P HA -0.002 nan 4.420 nan 0.000 0.220 123 P C -0.048 177.183 177.300 -0.114 0.000 1.152 123 P CA 1.189 64.281 63.100 -0.013 0.000 0.812 123 P CB 0.418 32.143 31.700 0.041 0.000 0.792 124 D N -2.689 117.600 120.400 -0.184 0.000 2.792 124 D HA 0.200 4.838 4.640 -0.003 0.000 0.335 124 D C -0.482 175.677 176.300 -0.235 0.000 1.353 124 D CA -0.516 53.362 54.000 -0.203 0.000 0.839 124 D CB 0.835 41.614 40.800 -0.035 0.000 1.396 124 D HN -0.337 nan 8.370 nan 0.000 0.479 125 M N 1.041 120.542 119.600 -0.166 0.000 2.198 125 M HA 0.302 4.780 4.480 -0.003 0.000 0.315 125 M C 1.433 177.612 176.300 -0.201 0.000 1.134 125 M CA 0.012 55.222 55.300 -0.150 0.000 1.171 125 M CB 0.194 32.761 32.600 -0.055 0.000 1.413 125 M HN 0.607 nan 8.290 nan 0.000 0.467 126 A N 1.776 124.399 122.820 -0.329 0.000 1.917 126 A HA -0.103 4.216 4.320 -0.003 0.000 0.219 126 A C 0.487 177.562 177.584 -0.847 0.000 1.182 126 A CA 1.656 53.267 52.037 -0.709 0.000 0.633 126 A CB -0.426 17.917 19.000 -1.094 0.000 0.819 126 A HN 0.629 nan 8.150 nan 0.000 0.448 127 F N -2.114 117.843 119.950 0.013 0.000 2.686 127 F HA 0.393 4.918 4.527 -0.003 0.000 0.365 127 F C -2.221 173.596 175.800 0.029 0.000 1.196 127 F CA -2.210 55.803 58.000 0.023 0.000 1.198 127 F CB 1.156 40.175 39.000 0.032 0.000 1.454 127 F HN -0.049 nan 8.300 nan 0.000 0.539 128 P HA -0.211 nan 4.420 nan 0.000 0.220 128 P C 1.627 178.996 177.300 0.116 0.000 1.144 128 P CA 1.553 64.706 63.100 0.088 0.000 0.800 128 P CB 0.127 31.848 31.700 0.036 0.000 0.772 129 R N -0.241 120.345 120.500 0.145 0.000 2.062 129 R HA -0.043 4.296 4.340 -0.003 0.000 0.231 129 R C 2.083 178.476 176.300 0.155 0.000 1.136 129 R CA 1.341 57.520 56.100 0.133 0.000 0.948 129 R CB -1.579 28.790 30.300 0.114 0.000 0.845 129 R HN 0.131 nan 8.270 nan 0.000 0.430 130 L N 1.329 122.654 121.223 0.169 0.000 2.083 130 L HA -0.156 4.182 4.340 -0.003 0.000 0.209 130 L C 2.401 179.386 176.870 0.193 0.000 1.083 130 L CA 1.567 56.503 54.840 0.159 0.000 0.752 130 L CB -0.791 41.349 42.059 0.134 0.000 0.899 130 L HN 0.386 nan 8.230 nan 0.000 0.433 131 N N 0.729 119.547 118.700 0.196 0.000 2.104 131 N HA -0.256 4.482 4.740 -0.003 0.000 0.190 131 N C 1.627 177.255 175.510 0.196 0.000 1.024 131 N CA 1.680 54.844 53.050 0.190 0.000 0.853 131 N CB -0.261 38.309 38.487 0.140 0.000 1.008 131 N HN 0.297 nan 8.380 nan 0.000 0.424 132 N N 0.047 118.851 118.700 0.173 0.000 2.216 132 N HA -0.127 4.611 4.740 -0.003 0.000 0.183 132 N C 1.806 177.497 175.510 0.302 0.000 1.017 132 N CA 0.658 53.821 53.050 0.189 0.000 0.861 132 N CB -0.231 38.368 38.487 0.186 0.000 0.986 132 N HN 0.279 nan 8.380 nan 0.000 0.428 133 L N 1.973 123.375 121.223 0.298 0.000 2.012 133 L HA -0.152 4.186 4.340 -0.003 0.000 0.210 133 L C 2.624 179.676 176.870 0.303 0.000 1.073 133 L CA 2.330 57.368 54.840 0.331 0.000 0.748 133 L CB -1.210 40.981 42.059 0.219 0.000 0.891 133 L HN 0.340 nan 8.230 nan 0.000 0.431 134 S N -1.683 114.175 115.700 0.263 0.000 2.400 134 S HA -0.317 4.151 4.470 -0.003 0.000 0.232 134 S C 2.122 176.872 174.600 0.251 0.000 1.025 134 S CA 1.363 59.732 58.200 0.281 0.000 0.993 134 S CB -1.345 62.048 63.200 0.322 0.000 0.808 134 S HN 0.617 nan 8.310 nan 0.000 0.478 135 Y N 0.864 121.155 120.300 -0.015 0.000 2.242 135 Y HA -0.020 4.528 4.550 -0.003 0.000 0.291 135 Y C 1.842 177.564 175.900 -0.297 0.000 1.137 135 Y CA 0.966 58.824 58.100 -0.404 0.000 1.181 135 Y CB -0.614 37.449 38.460 -0.662 0.000 0.989 135 Y HN 0.288 nan 8.280 nan 0.000 0.527 136 W N -0.109 121.191 121.300 0.000 0.000 2.379 136 W HA -0.232 4.426 4.660 -0.003 0.000 0.307 136 W C 2.486 178.968 176.519 -0.062 0.000 1.200 136 W CA 1.297 58.610 57.345 -0.053 0.000 1.297 136 W CB -0.353 29.149 29.460 0.070 0.000 1.140 136 W HN -0.013 nan 8.180 nan 0.000 0.507 137 M N -0.898 118.840 119.600 0.230 0.000 2.106 137 M HA -0.276 4.202 4.480 -0.003 0.000 0.259 137 M C 2.092 178.485 176.300 0.155 0.000 1.068 137 M CA 1.828 57.241 55.300 0.189 0.000 1.100 137 M CB -1.495 31.231 32.600 0.211 0.000 1.351 137 M HN 0.184 nan 8.290 nan 0.000 0.404 138 Y N 1.328 121.622 120.300 -0.011 0.000 2.145 138 Y HA -0.162 4.386 4.550 -0.003 0.000 0.286 138 Y C 2.141 177.970 175.900 -0.120 0.000 1.145 138 Y CA 1.432 59.535 58.100 0.005 0.000 1.148 138 Y CB -0.621 37.834 38.460 -0.008 0.000 0.981 138 Y HN -0.075 nan 8.280 nan 0.000 0.507 139 V N -1.051 118.546 119.914 -0.529 0.000 2.626 139 V HA -0.300 3.818 4.120 -0.003 0.000 0.252 139 V C 2.593 178.523 176.094 -0.273 0.000 1.067 139 V CA 1.552 63.530 62.300 -0.536 0.000 1.081 139 V CB -1.171 30.375 31.823 -0.462 0.000 0.686 139 V HN 0.618 nan 8.190 nan 0.000 0.468 140 C N 0.788 120.017 119.300 -0.119 0.000 2.462 140 C HA -0.003 4.456 4.460 -0.003 0.000 0.278 140 C C 3.014 177.935 174.990 -0.115 0.000 1.253 140 C CA 0.880 59.868 59.018 -0.049 0.000 1.713 140 C CB -1.527 26.236 27.740 0.039 0.000 2.049 140 C HN 0.638 nan 8.230 nan 0.000 0.477 141 G N 0.222 108.959 108.800 -0.105 0.000 2.469 141 G HA2 -0.207 3.751 3.960 -0.003 0.000 0.220 141 G HA3 -0.207 3.751 3.960 -0.003 0.000 0.220 141 G C 1.674 176.169 174.900 -0.675 0.000 1.136 141 G CA 1.461 46.472 45.100 -0.148 0.000 0.759 141 G HN 0.401 nan 8.290 nan 0.000 0.562 142 V N 1.360 120.777 119.914 -0.827 0.000 2.295 142 V HA -0.122 3.996 4.120 -0.003 0.000 0.246 142 V C 3.320 179.158 176.094 -0.426 0.000 1.049 142 V CA 2.111 63.902 62.300 -0.849 0.000 1.024 142 V CB -0.822 30.619 31.823 -0.637 0.000 0.648 142 V HN 0.495 nan 8.190 nan 0.000 0.447 143 A N -0.504 122.153 122.820 -0.273 0.000 1.902 143 A HA -0.147 4.171 4.320 -0.003 0.000 0.217 143 A C 2.215 179.744 177.584 -0.092 0.000 1.181 143 A CA 1.695 53.650 52.037 -0.137 0.000 0.623 143 A CB -0.556 18.394 19.000 -0.083 0.000 0.818 143 A HN 0.487 nan 8.150 nan 0.000 0.443 144 L N -0.747 120.425 121.223 -0.085 0.000 2.083 144 L HA -0.148 4.190 4.340 -0.003 0.000 0.209 144 L C 2.775 179.657 176.870 0.021 0.000 1.083 144 L CA 1.061 55.906 54.840 0.007 0.000 0.752 144 L CB -0.675 41.423 42.059 0.065 0.000 0.899 144 L HN 0.526 nan 8.230 nan 0.000 0.433 145 G N -0.727 108.032 108.800 -0.068 0.000 2.404 145 G HA2 -0.168 3.790 3.960 -0.003 0.000 0.215 145 G HA3 -0.168 3.790 3.960 -0.003 0.000 0.215 145 G C 1.544 176.492 174.900 0.080 0.000 1.174 145 G CA 0.733 45.866 45.100 0.055 0.000 0.780 145 G HN 0.196 nan 8.290 nan 0.000 0.537 146 V N 1.485 121.386 119.914 -0.022 0.000 2.515 146 V HA -0.067 4.051 4.120 -0.003 0.000 0.250 146 V C 3.224 179.293 176.094 -0.042 0.000 1.058 146 V CA 1.768 64.052 62.300 -0.027 0.000 1.064 146 V CB -0.596 31.206 31.823 -0.034 0.000 0.675 146 V HN 0.471 nan 8.190 nan 0.000 0.461 147 A N -0.333 122.477 122.820 -0.017 0.000 1.873 147 A HA -0.208 4.110 4.320 -0.003 0.000 0.215 147 A C 2.568 180.138 177.584 -0.024 0.000 1.186 147 A CA 2.016 54.051 52.037 -0.004 0.000 0.616 147 A CB -0.853 18.169 19.000 0.037 0.000 0.823 147 A HN 0.479 nan 8.150 nan 0.000 0.442 148 S N -0.452 115.263 115.700 0.025 0.000 2.374 148 S HA -0.202 4.266 4.470 -0.003 0.000 0.227 148 S C 1.989 176.565 174.600 -0.041 0.000 1.037 148 S CA 1.765 59.997 58.200 0.053 0.000 1.024 148 S CB -0.546 62.780 63.200 0.210 0.000 0.861 148 S HN 0.601 nan 8.310 nan 0.000 0.456 149 L N 1.029 122.103 121.223 -0.248 0.000 2.083 149 L HA 0.101 4.439 4.340 -0.003 0.000 0.209 149 L C 2.081 178.754 176.870 -0.329 0.000 1.083 149 L CA 1.726 56.141 54.840 -0.709 0.000 0.752 149 L CB -0.399 41.150 42.059 -0.851 0.000 0.899 149 L HN 0.405 nan 8.230 nan 0.000 0.433 150 L N -0.437 120.672 121.223 -0.190 0.000 2.270 150 L HA 0.163 4.501 4.340 -0.003 0.000 0.210 150 L C 1.618 178.419 176.870 -0.115 0.000 1.104 150 L CA 0.164 54.932 54.840 -0.119 0.000 0.804 150 L CB -0.732 41.285 42.059 -0.071 0.000 0.937 150 L HN 0.305 nan 8.230 nan 0.000 0.450 151 A N 0.499 123.216 122.820 -0.172 0.000 2.409 151 A HA 0.290 4.608 4.320 -0.003 0.000 0.246 151 A C -2.281 175.145 177.584 -0.264 0.000 1.099 151 A CA -0.656 51.188 52.037 -0.322 0.000 0.789 151 A CB -0.490 18.109 19.000 -0.668 0.000 1.053 151 A HN -0.043 nan 8.150 nan 0.000 0.503 152 P HA 0.609 nan 4.420 nan 0.000 0.279 152 P C 0.163 177.398 177.300 -0.109 0.000 1.252 152 P CA 0.252 63.280 63.100 -0.120 0.000 0.811 152 P CB 1.570 33.260 31.700 -0.016 0.000 1.035 153 G N -1.327 107.451 108.800 -0.036 0.000 2.320 153 G HA2 0.463 4.421 3.960 -0.003 0.000 0.296 153 G HA3 0.463 4.421 3.960 -0.003 0.000 0.296 153 G C 0.034 174.916 174.900 -0.030 0.000 1.306 153 G CA 0.476 45.580 45.100 0.006 0.000 0.836 153 G HN 0.757 nan 8.290 nan 0.000 0.517 154 G N 0.398 109.225 108.800 0.045 0.000 3.099 154 G HA2 -0.327 3.631 3.960 -0.003 0.000 0.331 154 G HA3 -0.327 3.631 3.960 -0.003 0.000 0.331 154 G C 0.378 175.212 174.900 -0.111 0.000 1.216 154 G CA 1.133 46.248 45.100 0.026 0.000 0.977 154 G HN 1.695 nan 8.290 nan 0.000 0.600 155 N N 1.882 120.383 118.700 -0.331 0.000 2.765 155 N HA 0.455 5.194 4.740 -0.003 0.000 0.277 155 N C -0.759 174.632 175.510 -0.199 0.000 1.750 155 N CA 0.081 53.014 53.050 -0.194 0.000 0.827 155 N CB 0.971 39.379 38.487 -0.132 0.000 1.200 155 N HN 0.479 nan 8.380 nan 0.000 0.494 156 D N 0.726 121.043 120.400 -0.138 0.000 2.708 156 D HA -0.221 4.417 4.640 -0.003 0.000 0.236 156 D C -0.228 176.006 176.300 -0.110 0.000 1.146 156 D CA 1.318 55.265 54.000 -0.088 0.000 0.662 156 D CB -0.382 40.390 40.800 -0.047 0.000 1.059 156 D HN 0.618 nan 8.370 nan 0.000 0.428 157 Q N -1.342 118.344 119.800 -0.189 0.000 2.687 157 Q HA 0.592 4.930 4.340 -0.003 0.000 0.305 157 Q C -0.098 175.868 176.000 -0.056 0.000 1.006 157 Q CA -0.894 54.826 55.803 -0.139 0.000 0.763 157 Q CB 1.385 29.998 28.738 -0.208 0.000 1.506 157 Q HN 0.046 nan 8.270 nan 0.000 0.459 158 M N 0.508 120.137 119.600 0.048 0.000 2.255 158 M HA 0.400 4.878 4.480 -0.003 0.000 0.336 158 M C 0.614 177.018 176.300 0.174 0.000 1.135 158 M CA 0.649 55.982 55.300 0.055 0.000 1.145 158 M CB 0.737 33.335 32.600 -0.003 0.000 1.473 158 M HN 0.839 nan 8.290 nan 0.000 0.462 159 G N 1.490 110.328 108.800 0.063 0.000 2.801 159 G HA2 -0.177 3.781 3.960 -0.003 0.000 0.244 159 G HA3 -0.177 3.781 3.960 -0.003 0.000 0.244 159 G C -0.741 174.318 174.900 0.266 0.000 1.385 159 G CA -0.668 44.494 45.100 0.104 0.000 0.894 159 G HN 0.749 nan 8.290 nan 0.000 0.562 160 S N -0.729 115.168 115.700 0.328 0.000 2.638 160 S HA 0.759 5.227 4.470 -0.003 0.000 0.298 160 S C 0.655 175.301 174.600 0.077 0.000 1.111 160 S CA 0.236 58.557 58.200 0.202 0.000 1.027 160 S CB 1.969 65.244 63.200 0.125 0.000 1.064 160 S HN 1.909 nan 8.310 nan 0.000 0.525 161 G N 0.565 109.365 108.800 -0.001 0.000 4.566 161 G HA2 0.417 4.375 3.960 -0.003 0.000 0.276 161 G HA3 0.417 4.375 3.960 -0.003 0.000 0.276 161 G C 0.150 175.063 174.900 0.021 0.000 1.248 161 G CA -0.515 44.555 45.100 -0.049 0.000 0.858 161 G HN 0.711 nan 8.290 nan 0.000 0.549 162 V N -2.094 117.826 119.914 0.010 0.000 3.477 162 V HA 0.701 4.819 4.120 -0.003 0.000 0.297 162 V C 0.922 177.025 176.094 0.015 0.000 1.433 162 V CA -0.144 62.167 62.300 0.019 0.000 1.052 162 V CB -0.380 31.441 31.823 -0.003 0.000 0.895 162 V HN 1.469 nan 8.190 nan 0.000 0.438 163 G N 0.721 109.533 108.800 0.020 0.000 2.719 163 G HA2 -0.227 3.731 3.960 -0.003 0.000 0.686 163 G HA3 -0.227 3.731 3.960 -0.003 0.000 0.686 163 G C -0.033 174.882 174.900 0.024 0.000 1.201 163 G CA -0.081 45.047 45.100 0.046 0.000 0.768 163 G HN 1.079 nan 8.290 nan 0.000 0.629 164 W N 1.100 122.394 121.300 -0.010 0.000 2.424 164 W HA -0.002 4.656 4.660 -0.003 0.000 0.264 164 W C 1.299 177.847 176.519 0.048 0.000 1.229 164 W CA 1.859 59.203 57.345 -0.003 0.000 1.208 164 W CB -1.146 28.300 29.460 -0.024 0.000 1.127 164 W HN 1.107 nan 8.180 nan 0.000 0.588 165 V N -0.450 119.005 119.914 -0.765 0.000 3.647 165 V HA 0.203 4.321 4.120 -0.003 0.000 0.279 165 V C 1.151 177.119 176.094 -0.209 0.000 1.314 165 V CA -0.413 61.432 62.300 -0.757 0.000 1.125 165 V CB -1.272 30.001 31.823 -0.916 0.000 0.907 165 V HN 0.149 nan 8.190 nan 0.000 0.434 166 L N -0.625 120.532 121.223 -0.111 0.000 3.790 166 L HA -0.214 4.125 4.340 -0.003 0.000 0.602 166 L C -0.454 176.333 176.870 -0.138 0.000 1.172 166 L CA 0.238 55.020 54.840 -0.095 0.000 0.901 166 L CB -2.242 39.729 42.059 -0.148 0.000 1.342 166 L HN 0.344 nan 8.230 nan 0.000 0.820 167 Y N 2.862 123.030 120.300 -0.221 0.000 2.359 167 Y HA 0.410 4.958 4.550 -0.003 0.000 0.334 167 Y C -1.376 174.344 175.900 -0.299 0.000 1.058 167 Y CA -2.041 55.913 58.100 -0.244 0.000 1.244 167 Y CB 1.088 39.509 38.460 -0.065 0.000 1.187 167 Y HN 0.191 nan 8.280 nan 0.000 0.510 168 P HA 0.262 nan 4.420 nan 0.000 0.282 168 P C -2.504 174.759 177.300 -0.061 0.000 1.259 168 P CA -2.126 60.823 63.100 -0.252 0.000 0.826 168 P CB 1.926 33.386 31.700 -0.400 0.000 1.064 169 P HA 0.036 nan 4.420 nan 0.000 0.241 169 P C 1.512 178.817 177.300 0.009 0.000 1.191 169 P CA 0.135 63.246 63.100 0.018 0.000 0.771 169 P CB -0.080 31.648 31.700 0.047 0.000 0.929 170 L N 0.581 121.817 121.223 0.021 0.000 2.079 170 L HA -0.194 4.144 4.340 -0.003 0.000 0.210 170 L C 2.141 179.015 176.870 0.006 0.000 1.081 170 L CA 2.303 57.162 54.840 0.031 0.000 0.752 170 L CB -1.195 40.897 42.059 0.056 0.000 0.896 170 L HN 0.020 nan 8.230 nan 0.000 0.433 171 S N -2.224 113.451 115.700 -0.041 0.000 2.377 171 S HA -0.099 4.369 4.470 -0.003 0.000 0.223 171 S C 1.504 176.068 174.600 -0.059 0.000 1.030 171 S CA 0.799 58.956 58.200 -0.072 0.000 0.970 171 S CB -1.388 61.714 63.200 -0.162 0.000 0.830 171 S HN 0.604 nan 8.310 nan 0.000 0.473 172 T N -1.238 113.284 114.554 -0.053 0.000 3.467 172 T HA 0.478 4.826 4.350 -0.003 0.000 0.232 172 T C 0.368 175.062 174.700 -0.009 0.000 0.876 172 T CA 0.013 62.095 62.100 -0.029 0.000 0.939 172 T CB -0.130 68.737 68.868 -0.002 0.000 1.165 172 T HN 0.299 nan 8.240 nan 0.000 0.615 173 T N -0.128 114.426 114.554 -0.001 0.000 3.270 173 T HA 0.108 4.456 4.350 -0.003 0.000 0.279 173 T C 0.165 174.880 174.700 0.025 0.000 0.857 173 T CA -0.367 61.742 62.100 0.014 0.000 0.849 173 T CB 0.386 69.267 68.868 0.022 0.000 1.241 173 T HN 0.347 nan 8.240 nan 0.000 0.663 174 E N 1.741 121.958 120.200 0.028 0.000 2.437 174 E HA 0.304 4.652 4.350 -0.003 0.000 0.263 174 E C 1.279 177.903 176.600 0.039 0.000 1.030 174 E CA 0.386 56.815 56.400 0.047 0.000 0.934 174 E CB 0.922 30.657 29.700 0.059 0.000 0.943 174 E HN 0.371 nan 8.360 nan 0.000 0.444 175 A N 4.479 127.320 122.820 0.036 0.000 1.844 175 A HA -0.107 4.211 4.320 -0.003 0.000 0.214 175 A C 1.385 179.002 177.584 0.055 0.000 1.217 175 A CA 1.814 53.869 52.037 0.030 0.000 0.644 175 A CB -1.240 17.762 19.000 0.003 0.000 0.850 175 A HN 0.665 nan 8.150 nan 0.000 0.456 176 G N -2.133 106.700 108.800 0.054 0.000 2.393 176 G HA2 0.210 4.168 3.960 -0.003 0.000 0.268 176 G HA3 0.210 4.168 3.960 -0.003 0.000 0.268 176 G C 0.470 175.461 174.900 0.152 0.000 1.472 176 G CA 0.551 45.717 45.100 0.110 0.000 1.059 176 G HN 1.031 nan 8.290 nan 0.000 0.555 177 Y N -2.229 118.092 120.300 0.034 0.000 2.531 177 Y HA 0.440 4.989 4.550 -0.003 0.000 0.249 177 Y C 2.238 178.164 175.900 0.043 0.000 1.168 177 Y CA 0.016 58.135 58.100 0.030 0.000 1.226 177 Y CB -0.460 38.028 38.460 0.045 0.000 1.177 177 Y HN 0.293 nan 8.280 nan 0.000 0.527 178 S N 0.805 116.355 115.700 -0.249 0.000 2.374 178 S HA -0.215 4.253 4.470 -0.003 0.000 0.227 178 S C 2.038 176.635 174.600 -0.005 0.000 1.037 178 S CA 1.795 59.905 58.200 -0.149 0.000 1.024 178 S CB -0.247 62.916 63.200 -0.061 0.000 0.861 178 S HN 0.519 nan 8.310 nan 0.000 0.456 179 M N 1.653 121.253 119.600 -0.000 0.000 2.159 179 M HA -0.077 4.401 4.480 -0.003 0.000 0.263 179 M C 1.610 177.862 176.300 -0.079 0.000 1.063 179 M CA 1.530 56.816 55.300 -0.023 0.000 1.110 179 M CB -1.400 31.180 32.600 -0.034 0.000 1.374 179 M HN 0.410 nan 8.290 nan 0.000 0.411 180 D N 0.006 120.365 120.400 -0.068 0.000 2.097 180 D HA -0.139 4.499 4.640 -0.003 0.000 0.195 180 D C 2.170 178.349 176.300 -0.201 0.000 0.989 180 D CA 1.101 54.989 54.000 -0.187 0.000 0.827 180 D CB -0.251 40.536 40.800 -0.021 0.000 0.966 180 D HN 0.354 nan 8.370 nan 0.000 0.456 181 L N 0.954 122.219 121.223 0.070 0.000 2.042 181 L HA -0.182 4.156 4.340 -0.003 0.000 0.210 181 L C 2.674 179.620 176.870 0.126 0.000 1.076 181 L CA 1.076 56.036 54.840 0.200 0.000 0.749 181 L CB -0.446 41.708 42.059 0.159 0.000 0.893 181 L HN -0.015 nan 8.230 nan 0.000 0.432 182 A N 0.441 123.293 122.820 0.053 0.000 1.877 182 A HA -0.183 4.135 4.320 -0.003 0.000 0.216 182 A C 2.166 179.714 177.584 -0.059 0.000 1.186 182 A CA 1.457 53.518 52.037 0.041 0.000 0.620 182 A CB -0.647 18.366 19.000 0.021 0.000 0.822 182 A HN 0.361 nan 8.150 nan 0.000 0.443 183 I N -1.501 118.961 120.570 -0.180 0.000 2.335 183 I HA -0.261 3.907 4.170 -0.003 0.000 0.251 183 I C 2.167 178.198 176.117 -0.142 0.000 1.129 183 I CA 1.292 62.426 61.300 -0.276 0.000 1.402 183 I CB -0.451 37.312 38.000 -0.395 0.000 1.069 183 I HN 0.257 nan 8.210 nan 0.000 0.424 184 F N 1.066 121.065 119.950 0.081 0.000 2.128 184 F HA -0.035 4.490 4.527 -0.003 0.000 0.295 184 F C 2.697 178.564 175.800 0.112 0.000 1.100 184 F CA 0.884 58.966 58.000 0.136 0.000 1.260 184 F CB -1.280 37.785 39.000 0.110 0.000 1.009 184 F HN -0.035 nan 8.300 nan 0.000 0.476 185 A N -0.257 122.717 122.820 0.257 0.000 1.986 185 A HA -0.136 4.182 4.320 -0.003 0.000 0.220 185 A C 2.386 180.129 177.584 0.265 0.000 1.171 185 A CA 2.049 54.213 52.037 0.211 0.000 0.640 185 A CB -1.150 17.951 19.000 0.168 0.000 0.811 185 A HN 0.217 nan 8.150 nan 0.000 0.451 186 V N -1.528 118.414 119.914 0.047 0.000 2.535 186 V HA -0.162 3.956 4.120 -0.003 0.000 0.246 186 V C 2.211 178.257 176.094 -0.080 0.000 1.045 186 V CA 1.856 64.019 62.300 -0.228 0.000 1.058 186 V CB -0.880 30.596 31.823 -0.578 0.000 0.689 186 V HN 0.747 nan 8.190 nan 0.000 0.461 187 H N -0.711 118.351 119.070 -0.013 0.000 2.352 187 H HA -0.165 4.389 4.556 -0.003 0.000 0.299 187 H C 2.277 177.654 175.328 0.082 0.000 1.097 187 H CA 1.832 57.902 56.048 0.037 0.000 1.311 187 H CB 0.152 29.990 29.762 0.127 0.000 1.377 187 H HN 0.215 nan 8.280 nan 0.000 0.504 188 V N -0.507 119.572 119.914 0.275 0.000 2.295 188 V HA -0.283 3.835 4.120 -0.003 0.000 0.246 188 V C 2.532 178.767 176.094 0.235 0.000 1.049 188 V CA 1.940 64.371 62.300 0.217 0.000 1.024 188 V CB -0.580 31.357 31.823 0.191 0.000 0.648 188 V HN 0.445 nan 8.190 nan 0.000 0.447 189 S N 0.461 116.331 115.700 0.284 0.000 2.370 189 S HA -0.169 4.299 4.470 -0.003 0.000 0.226 189 S C 2.105 176.832 174.600 0.211 0.000 1.033 189 S CA 1.916 60.313 58.200 0.328 0.000 1.011 189 S CB -0.730 62.643 63.200 0.288 0.000 0.852 189 S HN 0.645 nan 8.310 nan 0.000 0.457 190 G N 0.642 109.521 108.800 0.133 0.000 2.442 190 G HA2 -0.064 3.894 3.960 -0.003 0.000 0.219 190 G HA3 -0.064 3.894 3.960 -0.003 0.000 0.219 190 G C 1.668 176.640 174.900 0.119 0.000 1.141 190 G CA 1.061 46.221 45.100 0.099 0.000 0.763 190 G HN 0.731 nan 8.290 nan 0.000 0.554 191 A N 0.622 123.527 122.820 0.141 0.000 1.873 191 A HA 0.005 4.323 4.320 -0.003 0.000 0.215 191 A C 2.638 180.313 177.584 0.152 0.000 1.186 191 A CA 2.245 54.359 52.037 0.128 0.000 0.616 191 A CB -0.986 18.087 19.000 0.122 0.000 0.823 191 A HN 0.465 nan 8.150 nan 0.000 0.442 192 S N -0.350 115.469 115.700 0.200 0.000 2.402 192 S HA -0.155 4.313 4.470 -0.003 0.000 0.233 192 S C 2.151 176.893 174.600 0.237 0.000 1.030 192 S CA 2.138 60.488 58.200 0.251 0.000 1.003 192 S CB -0.378 63.025 63.200 0.338 0.000 0.813 192 S HN 0.555 nan 8.310 nan 0.000 0.477 193 S N 0.865 116.673 115.700 0.180 0.000 2.377 193 S HA 0.197 4.665 4.470 -0.003 0.000 0.223 193 S C 1.715 176.374 174.600 0.097 0.000 1.030 193 S CA 0.962 59.229 58.200 0.112 0.000 0.970 193 S CB -0.317 62.897 63.200 0.023 0.000 0.830 193 S HN 0.548 nan 8.310 nan 0.000 0.473 194 I N 1.610 122.232 120.570 0.088 0.000 2.454 194 I HA -0.162 4.006 4.170 -0.003 0.000 0.254 194 I C 1.964 178.137 176.117 0.093 0.000 1.156 194 I CA 0.911 62.252 61.300 0.068 0.000 1.433 194 I CB -0.342 37.693 38.000 0.059 0.000 1.082 194 I HN 0.257 nan 8.210 nan 0.000 0.432 195 L N 0.276 121.576 121.223 0.129 0.000 2.007 195 L HA -0.097 4.241 4.340 -0.003 0.000 0.205 195 L C 2.739 179.716 176.870 0.179 0.000 1.073 195 L CA 1.824 56.747 54.840 0.139 0.000 0.744 195 L CB -1.352 40.804 42.059 0.162 0.000 0.898 195 L HN 0.283 nan 8.230 nan 0.000 0.435 196 G N -0.464 108.477 108.800 0.235 0.000 2.475 196 G HA2 -0.261 3.697 3.960 -0.003 0.000 0.220 196 G HA3 -0.261 3.697 3.960 -0.003 0.000 0.220 196 G C 1.700 176.780 174.900 0.300 0.000 1.125 196 G CA 0.968 46.222 45.100 0.257 0.000 0.755 196 G HN 0.496 nan 8.290 nan 0.000 0.565 197 A N 0.543 123.566 122.820 0.339 0.000 1.854 197 A HA 0.158 4.476 4.320 -0.003 0.000 0.214 197 A C 2.339 179.971 177.584 0.079 0.000 1.192 197 A CA 1.188 53.384 52.037 0.265 0.000 0.611 197 A CB -0.391 18.657 19.000 0.080 0.000 0.832 197 A HN 0.331 nan 8.150 nan 0.000 0.442 198 I N -0.025 120.582 120.570 0.061 0.000 2.454 198 I HA -0.230 3.938 4.170 -0.003 0.000 0.254 198 I C 2.166 178.375 176.117 0.153 0.000 1.156 198 I CA 1.206 62.532 61.300 0.043 0.000 1.433 198 I CB -0.097 37.919 38.000 0.028 0.000 1.082 198 I HN 0.323 nan 8.210 nan 0.000 0.432 199 N N 0.600 119.411 118.700 0.186 0.000 2.173 199 N HA -0.104 4.634 4.740 -0.003 0.000 0.184 199 N C 1.789 177.363 175.510 0.107 0.000 1.025 199 N CA 1.256 54.445 53.050 0.232 0.000 0.852 199 N CB -0.030 38.575 38.487 0.195 0.000 0.998 199 N HN 0.197 nan 8.380 nan 0.000 0.427 200 I N 1.286 121.892 120.570 0.060 0.000 2.226 200 I HA -0.199 3.969 4.170 -0.003 0.000 0.245 200 I C 2.144 178.338 176.117 0.128 0.000 1.100 200 I CA 0.856 62.173 61.300 0.028 0.000 1.374 200 I CB -0.819 37.150 38.000 -0.052 0.000 1.057 200 I HN 0.147 nan 8.210 nan 0.000 0.413 201 I N 0.276 120.886 120.570 0.065 0.000 2.315 201 I HA -0.261 3.907 4.170 -0.003 0.000 0.248 201 I C 2.447 178.713 176.117 0.248 0.000 1.117 201 I CA 1.277 62.652 61.300 0.125 0.000 1.404 201 I CB -0.475 37.325 38.000 -0.334 0.000 1.071 201 I HN 0.222 nan 8.210 nan 0.000 0.419 202 T N 0.046 114.692 114.554 0.154 0.000 2.701 202 T HA -0.142 4.206 4.350 -0.003 0.000 0.263 202 T C 1.921 176.653 174.700 0.053 0.000 1.040 202 T CA 2.018 64.194 62.100 0.126 0.000 1.147 202 T CB -0.376 68.578 68.868 0.143 0.000 0.865 202 T HN 0.327 nan 8.240 nan 0.000 0.426 203 T N 1.994 116.549 114.554 0.002 0.000 2.665 203 T HA -0.136 4.212 4.350 -0.003 0.000 0.268 203 T C 1.569 176.257 174.700 -0.020 0.000 1.035 203 T CA 1.417 63.484 62.100 -0.055 0.000 1.151 203 T CB -0.603 68.222 68.868 -0.072 0.000 0.862 203 T HN 0.349 nan 8.240 nan 0.000 0.438 204 F N 1.368 121.249 119.950 -0.115 0.000 2.102 204 F HA 0.007 4.532 4.527 -0.003 0.000 0.298 204 F C 2.016 177.648 175.800 -0.281 0.000 1.105 204 F CA 1.117 58.965 58.000 -0.254 0.000 1.239 204 F CB -0.376 38.395 39.000 -0.383 0.000 0.991 204 F HN 0.037 nan 8.300 nan 0.000 0.474 205 L N -0.055 121.228 121.223 0.100 0.000 2.083 205 L HA -0.232 4.106 4.340 -0.003 0.000 0.209 205 L C 1.781 178.607 176.870 -0.074 0.000 1.083 205 L CA 1.299 56.166 54.840 0.045 0.000 0.752 205 L CB -0.561 41.627 42.059 0.215 0.000 0.899 205 L HN 0.290 nan 8.230 nan 0.000 0.433 206 N N -0.825 117.830 118.700 -0.075 0.000 2.765 206 N HA 0.081 4.820 4.740 -0.003 0.000 0.230 206 N C 1.418 176.850 175.510 -0.129 0.000 1.022 206 N CA 0.462 53.459 53.050 -0.089 0.000 1.106 206 N CB -0.165 38.292 38.487 -0.051 0.000 1.527 206 N HN 0.144 nan 8.380 nan 0.000 0.507 207 M N 1.613 121.134 119.600 -0.132 0.000 2.826 207 M HA 0.023 4.501 4.480 -0.003 0.000 0.217 207 M C 0.378 176.585 176.300 -0.155 0.000 1.049 207 M CA 0.423 55.644 55.300 -0.133 0.000 1.052 207 M CB -0.446 32.074 32.600 -0.133 0.000 1.709 207 M HN -0.005 nan 8.290 nan 0.000 0.529 208 R N 0.933 121.309 120.500 -0.208 0.000 2.594 208 R HA 0.428 4.766 4.340 -0.003 0.000 0.272 208 R C 0.252 176.434 176.300 -0.197 0.000 1.074 208 R CA -0.272 55.678 56.100 -0.250 0.000 1.105 208 R CB 0.717 30.802 30.300 -0.357 0.000 1.008 208 R HN 0.320 nan 8.270 nan 0.000 0.472 209 A N 4.743 127.440 122.820 -0.205 0.000 2.492 209 A HA 0.088 4.406 4.320 -0.003 0.000 0.236 209 A C -1.304 176.184 177.584 -0.161 0.000 1.078 209 A CA -0.988 50.928 52.037 -0.202 0.000 0.773 209 A CB -0.160 18.681 19.000 -0.264 0.000 1.023 209 A HN 0.664 nan 8.150 nan 0.000 0.504 210 P HA -0.146 nan 4.420 nan 0.000 0.213 210 P C 1.309 178.552 177.300 -0.096 0.000 1.170 210 P CA 2.086 65.124 63.100 -0.102 0.000 0.898 210 P CB -0.199 31.451 31.700 -0.085 0.000 0.787 211 G N -0.964 107.778 108.800 -0.097 0.000 3.026 211 G HA2 0.027 3.986 3.960 -0.003 0.000 0.208 211 G HA3 0.027 3.986 3.960 -0.003 0.000 0.208 211 G C 0.675 175.524 174.900 -0.084 0.000 1.169 211 G CA -0.124 44.929 45.100 -0.078 0.000 0.788 211 G HN 0.203 nan 8.290 nan 0.000 0.533 212 M N 3.369 122.901 119.600 -0.114 0.000 2.974 212 M HA 0.263 4.741 4.480 -0.003 0.000 0.301 212 M C 1.013 177.232 176.300 -0.135 0.000 1.409 212 M CA -0.880 54.344 55.300 -0.127 0.000 1.515 212 M CB -0.664 31.832 32.600 -0.173 0.000 1.163 212 M HN 0.084 nan 8.290 nan 0.000 0.520 213 T N 0.385 114.888 114.554 -0.085 0.000 2.748 213 T HA 0.127 4.475 4.350 -0.003 0.000 0.304 213 T C 1.049 175.681 174.700 -0.114 0.000 1.041 213 T CA -0.640 61.416 62.100 -0.074 0.000 1.033 213 T CB 0.631 69.497 68.868 -0.003 0.000 0.995 213 T HN 0.635 nan 8.240 nan 0.000 0.536 214 L N 0.301 121.430 121.223 -0.156 0.000 1.994 214 L HA 0.166 4.504 4.340 -0.003 0.000 0.208 214 L C 1.593 178.386 176.870 -0.128 0.000 1.071 214 L CA 1.698 56.371 54.840 -0.280 0.000 0.745 214 L CB -0.971 40.833 42.059 -0.425 0.000 0.892 214 L HN 0.764 nan 8.230 nan 0.000 0.431 215 F N -0.418 119.690 119.950 0.264 0.000 2.757 215 F HA 0.185 4.710 4.527 -0.003 0.000 0.292 215 F C 1.804 177.654 175.800 0.083 0.000 1.204 215 F CA 0.155 58.352 58.000 0.329 0.000 1.417 215 F CB -0.566 38.578 39.000 0.241 0.000 1.001 215 F HN 0.085 nan 8.300 nan 0.000 0.508 216 K N -0.509 119.998 120.400 0.179 0.000 2.477 216 K HA 0.222 4.540 4.320 -0.003 0.000 0.208 216 K C 0.038 176.716 176.600 0.130 0.000 1.117 216 K CA 0.168 56.488 56.287 0.055 0.000 1.039 216 K CB 0.821 33.329 32.500 0.014 0.000 0.937 216 K HN -0.035 nan 8.250 nan 0.000 0.570 217 V N 3.911 123.964 119.914 0.232 0.000 2.637 217 V HA 0.108 4.226 4.120 -0.003 0.000 0.296 217 V C -2.183 174.212 176.094 0.502 0.000 1.046 217 V CA -1.336 61.094 62.300 0.216 0.000 1.066 217 V CB 0.716 32.503 31.823 -0.060 0.000 0.968 217 V HN 0.152 nan 8.190 nan 0.000 0.483 218 P HA 0.187 nan 4.420 nan 0.000 0.272 218 P C 0.902 178.661 177.300 0.765 0.000 1.230 218 P CA -0.249 63.193 63.100 0.569 0.000 0.788 218 P CB 0.608 32.593 31.700 0.475 0.000 0.949 219 L N 0.475 122.211 121.223 0.854 0.000 2.093 219 L HA -0.148 4.190 4.340 -0.003 0.000 0.208 219 L C 2.174 179.489 176.870 0.742 0.000 1.085 219 L CA 1.347 56.648 54.840 0.767 0.000 0.755 219 L CB -0.597 41.800 42.059 0.563 0.000 0.904 219 L HN 0.366 nan 8.230 nan 0.000 0.435 220 F N 1.046 121.333 119.950 0.563 0.000 2.126 220 F HA -0.260 4.265 4.527 -0.003 0.000 0.299 220 F C 2.403 178.451 175.800 0.412 0.000 1.096 220 F CA 1.271 59.444 58.000 0.289 0.000 1.255 220 F CB -0.314 38.709 39.000 0.038 0.000 0.997 220 F HN 0.008 nan 8.300 nan 0.000 0.479 221 A N -0.939 122.153 122.820 0.453 0.000 1.972 221 A HA -0.197 4.121 4.320 -0.003 0.000 0.219 221 A C 2.174 179.888 177.584 0.216 0.000 1.169 221 A CA 1.452 53.660 52.037 0.285 0.000 0.635 221 A CB -1.588 17.652 19.000 0.399 0.000 0.810 221 A HN 0.670 nan 8.150 nan 0.000 0.446 222 W N 0.909 122.377 121.300 0.280 0.000 2.408 222 W HA -0.190 4.468 4.660 -0.003 0.000 0.311 222 W C 3.067 179.678 176.519 0.152 0.000 1.190 222 W CA 1.940 59.414 57.345 0.215 0.000 1.321 222 W CB -0.145 29.454 29.460 0.232 0.000 1.143 222 W HN 0.489 nan 8.180 nan 0.000 0.501 223 S N 0.030 115.972 115.700 0.404 0.000 2.359 223 S HA -0.265 4.203 4.470 -0.003 0.000 0.222 223 S C 1.743 176.436 174.600 0.154 0.000 1.038 223 S CA 1.847 60.203 58.200 0.261 0.000 1.051 223 S CB -1.324 62.020 63.200 0.239 0.000 0.944 223 S HN 0.065 nan 8.310 nan 0.000 0.433 224 V N 1.361 121.251 119.914 -0.041 0.000 2.392 224 V HA -0.127 3.991 4.120 -0.003 0.000 0.249 224 V C 2.182 178.349 176.094 0.122 0.000 1.059 224 V CA 2.195 64.466 62.300 -0.047 0.000 1.051 224 V CB -1.138 30.454 31.823 -0.384 0.000 0.658 224 V HN 0.565 nan 8.190 nan 0.000 0.455 225 F N 0.774 120.670 119.950 -0.090 0.000 2.075 225 F HA -0.160 4.365 4.527 -0.003 0.000 0.297 225 F C 2.131 178.007 175.800 0.128 0.000 1.113 225 F CA 1.765 59.656 58.000 -0.182 0.000 1.218 225 F CB -0.352 38.148 39.000 -0.832 0.000 0.984 225 F HN 0.074 nan 8.300 nan 0.000 0.472 226 I N -0.250 120.416 120.570 0.160 0.000 2.208 226 I HA -0.326 3.842 4.170 -0.003 0.000 0.245 226 I C 2.245 178.460 176.117 0.163 0.000 1.097 226 I CA 1.674 63.074 61.300 0.167 0.000 1.363 226 I CB -1.139 37.002 38.000 0.235 0.000 1.051 226 I HN 0.175 nan 8.210 nan 0.000 0.413 227 T N 1.072 115.722 114.554 0.158 0.000 2.635 227 T HA -0.248 4.100 4.350 -0.003 0.000 0.267 227 T C 2.107 176.831 174.700 0.040 0.000 1.040 227 T CA 1.747 63.918 62.100 0.119 0.000 1.156 227 T CB -0.420 68.545 68.868 0.163 0.000 0.863 227 T HN 0.526 nan 8.240 nan 0.000 0.430 228 A N 0.173 123.047 122.820 0.090 0.000 1.986 228 A HA -0.152 4.166 4.320 -0.003 0.000 0.220 228 A C 2.043 179.502 177.584 -0.208 0.000 1.171 228 A CA 1.614 53.632 52.037 -0.032 0.000 0.640 228 A CB -1.113 17.900 19.000 0.022 0.000 0.811 228 A HN 0.714 nan 8.150 nan 0.000 0.451 229 W N -0.092 121.121 121.300 -0.146 0.000 2.407 229 W HA -0.021 4.637 4.660 -0.003 0.000 0.305 229 W C 2.094 178.598 176.519 -0.024 0.000 1.196 229 W CA 0.987 58.252 57.345 -0.133 0.000 1.311 229 W CB -0.436 28.893 29.460 -0.219 0.000 1.135 229 W HN 0.209 nan 8.180 nan 0.000 0.514 230 L N -0.143 121.246 121.223 0.276 0.000 2.079 230 L HA -0.252 4.086 4.340 -0.003 0.000 0.210 230 L C 2.119 179.171 176.870 0.304 0.000 1.081 230 L CA 1.234 56.308 54.840 0.391 0.000 0.752 230 L CB -0.982 41.280 42.059 0.339 0.000 0.896 230 L HN 0.051 nan 8.230 nan 0.000 0.433 231 I N -0.119 120.508 120.570 0.095 0.000 2.226 231 I HA -0.293 3.875 4.170 -0.003 0.000 0.245 231 I C 2.406 178.576 176.117 0.089 0.000 1.100 231 I CA 1.357 62.673 61.300 0.027 0.000 1.374 231 I CB -0.229 37.671 38.000 -0.167 0.000 1.057 231 I HN 0.249 nan 8.210 nan 0.000 0.413 232 L N 0.047 121.310 121.223 0.066 0.000 2.201 232 L HA -0.158 4.180 4.340 -0.003 0.000 0.212 232 L C 2.291 179.248 176.870 0.144 0.000 1.105 232 L CA 1.036 55.917 54.840 0.069 0.000 0.775 232 L CB -0.312 41.746 42.059 -0.002 0.000 0.913 232 L HN 0.290 nan 8.230 nan 0.000 0.440 233 L N -1.243 120.111 121.223 0.219 0.000 2.375 233 L HA -0.025 4.313 4.340 -0.003 0.000 0.215 233 L C 2.609 179.743 176.870 0.440 0.000 1.108 233 L CA 0.728 55.727 54.840 0.265 0.000 0.830 233 L CB -0.126 41.984 42.059 0.085 0.000 0.959 233 L HN 0.266 nan 8.230 nan 0.000 0.457 234 S N -0.445 115.525 115.700 0.449 0.000 2.398 234 S HA 0.026 4.494 4.470 -0.003 0.000 0.220 234 S C 1.893 176.692 174.600 0.330 0.000 1.046 234 S CA 0.090 58.555 58.200 0.442 0.000 0.953 234 S CB -0.624 62.792 63.200 0.361 0.000 0.856 234 S HN 0.224 nan 8.310 nan 0.000 0.506 235 L N 1.891 123.250 121.223 0.226 0.000 2.081 235 L HA -0.020 4.318 4.340 -0.003 0.000 0.212 235 L C -0.671 176.212 176.870 0.022 0.000 1.080 235 L CA 1.384 56.264 54.840 0.066 0.000 0.754 235 L CB -2.055 40.042 42.059 0.063 0.000 0.893 235 L HN 0.295 nan 8.230 nan 0.000 0.433 236 P HA -0.116 nan 4.420 nan 0.000 0.216 236 P C 2.063 179.375 177.300 0.020 0.000 1.153 236 P CA 1.051 64.181 63.100 0.051 0.000 0.848 236 P CB 0.103 31.844 31.700 0.068 0.000 0.787 237 V N -0.410 119.533 119.914 0.048 0.000 2.343 237 V HA -0.220 3.898 4.120 -0.003 0.000 0.247 237 V C 2.380 178.425 176.094 -0.082 0.000 1.051 237 V CA 1.607 63.909 62.300 0.003 0.000 1.036 237 V CB -1.221 30.668 31.823 0.110 0.000 0.654 237 V HN 0.063 nan 8.190 nan 0.000 0.451 238 L N 1.064 122.195 121.223 -0.153 0.000 2.017 238 L HA -0.088 4.250 4.340 -0.003 0.000 0.208 238 L C 2.478 179.160 176.870 -0.313 0.000 1.073 238 L CA 2.430 57.018 54.840 -0.420 0.000 0.745 238 L CB -1.047 40.425 42.059 -0.979 0.000 0.894 238 L HN 0.213 nan 8.230 nan 0.000 0.432 239 A N -0.388 122.320 122.820 -0.188 0.000 1.948 239 A HA -0.145 4.173 4.320 -0.003 0.000 0.220 239 A C 2.346 179.931 177.584 0.002 0.000 1.177 239 A CA 1.777 53.780 52.037 -0.056 0.000 0.636 239 A CB -1.678 17.401 19.000 0.131 0.000 0.815 239 A HN 0.574 nan 8.150 nan 0.000 0.449 240 G N -0.682 108.099 108.800 -0.032 0.000 2.421 240 G HA2 -0.000 3.958 3.960 -0.003 0.000 0.216 240 G HA3 -0.000 3.958 3.960 -0.003 0.000 0.216 240 G C 1.766 176.634 174.900 -0.053 0.000 1.171 240 G CA 1.525 46.605 45.100 -0.033 0.000 0.775 240 G HN 0.818 nan 8.290 nan 0.000 0.543 241 A N 1.336 124.094 122.820 -0.102 0.000 1.873 241 A HA 0.016 4.334 4.320 -0.003 0.000 0.215 241 A C 2.444 180.057 177.584 0.047 0.000 1.186 241 A CA 1.597 53.599 52.037 -0.058 0.000 0.616 241 A CB -0.491 18.340 19.000 -0.283 0.000 0.823 241 A HN 0.776 nan 8.150 nan 0.000 0.442 242 I N -3.150 117.356 120.570 -0.107 0.000 2.614 242 I HA -0.094 4.074 4.170 -0.003 0.000 0.258 242 I C 1.921 177.973 176.117 -0.109 0.000 1.189 242 I CA 1.900 63.107 61.300 -0.154 0.000 1.462 242 I CB -0.731 37.037 38.000 -0.387 0.000 1.092 242 I HN 0.097 nan 8.210 nan 0.000 0.442 243 T N 1.508 116.055 114.554 -0.012 0.000 2.770 243 T HA 0.006 4.354 4.350 -0.003 0.000 0.263 243 T C 1.893 176.662 174.700 0.115 0.000 1.039 243 T CA 1.754 63.939 62.100 0.142 0.000 1.142 243 T CB -0.234 68.764 68.868 0.218 0.000 0.868 243 T HN 0.328 nan 8.240 nan 0.000 0.435 244 M N 0.663 120.327 119.600 0.106 0.000 2.337 244 M HA -0.052 4.426 4.480 -0.003 0.000 0.261 244 M C 1.950 178.408 176.300 0.264 0.000 1.067 244 M CA 1.223 56.609 55.300 0.143 0.000 1.074 244 M CB -0.552 32.017 32.600 -0.052 0.000 1.395 244 M HN 0.233 nan 8.290 nan 0.000 0.431 245 L N 0.070 121.411 121.223 0.196 0.000 2.049 245 L HA -0.149 4.189 4.340 -0.003 0.000 0.203 245 L C 2.433 179.287 176.870 -0.027 0.000 1.074 245 L CA 1.068 55.971 54.840 0.104 0.000 0.749 245 L CB -0.705 41.343 42.059 -0.018 0.000 0.907 245 L HN 0.403 nan 8.230 nan 0.000 0.439 246 L N -3.091 118.067 121.223 -0.108 0.000 2.265 246 L HA -0.159 4.179 4.340 -0.003 0.000 0.215 246 L C 2.554 179.211 176.870 -0.355 0.000 1.117 246 L CA 0.904 55.596 54.840 -0.247 0.000 0.782 246 L CB -0.543 41.323 42.059 -0.322 0.000 0.914 246 L HN 0.201 nan 8.230 nan 0.000 0.441 247 M N 0.694 120.193 119.600 -0.170 0.000 2.077 247 M HA -0.169 4.309 4.480 -0.003 0.000 0.261 247 M C 1.797 178.022 176.300 -0.124 0.000 1.070 247 M CA 1.869 57.107 55.300 -0.104 0.000 1.125 247 M CB -1.023 31.711 32.600 0.222 0.000 1.339 247 M HN 0.307 nan 8.290 nan 0.000 0.409 248 D N 0.282 120.644 120.400 -0.063 0.000 2.178 248 D HA -0.144 4.494 4.640 -0.003 0.000 0.201 248 D C 2.021 178.264 176.300 -0.096 0.000 0.980 248 D CA 1.072 55.011 54.000 -0.101 0.000 0.842 248 D CB -0.044 40.737 40.800 -0.032 0.000 0.948 248 D HN 0.455 nan 8.370 nan 0.000 0.472 249 R N -0.717 119.715 120.500 -0.113 0.000 2.290 249 R HA 0.217 4.555 4.340 -0.003 0.000 0.197 249 R C 0.891 177.114 176.300 -0.130 0.000 0.913 249 R CA 0.372 56.411 56.100 -0.101 0.000 1.040 249 R CB 0.235 30.485 30.300 -0.083 0.000 0.992 249 R HN 0.071 nan 8.270 nan 0.000 0.500 250 N N 0.079 118.633 118.700 -0.244 0.000 2.594 250 N HA 0.081 4.819 4.740 -0.003 0.000 0.237 250 N C 0.128 175.618 175.510 -0.033 0.000 1.057 250 N CA 0.380 53.282 53.050 -0.247 0.000 0.883 250 N CB 0.306 38.465 38.487 -0.547 0.000 1.538 250 N HN 0.070 nan 8.380 nan 0.000 0.451 251 F N 1.333 121.280 119.950 -0.006 0.000 2.660 251 F HA 0.425 4.950 4.527 -0.003 0.000 0.297 251 F C 1.561 177.326 175.800 -0.058 0.000 1.132 251 F CA -0.894 57.094 58.000 -0.020 0.000 1.372 251 F CB -0.623 38.374 39.000 -0.004 0.000 1.003 251 F HN 0.056 nan 8.300 nan 0.000 0.524 252 G N 1.000 109.834 108.800 0.056 0.000 2.233 252 G HA2 -0.331 3.627 3.960 -0.003 0.000 0.270 252 G HA3 -0.331 3.627 3.960 -0.003 0.000 0.270 252 G C 0.487 175.326 174.900 -0.102 0.000 1.011 252 G CA 0.660 45.749 45.100 -0.019 0.000 0.762 252 G HN 0.511 nan 8.290 nan 0.000 0.511 253 T N -2.398 112.048 114.554 -0.180 0.000 2.828 253 T HA 0.599 4.947 4.350 -0.003 0.000 0.290 253 T C 0.372 174.818 174.700 -0.424 0.000 1.019 253 T CA -0.051 61.798 62.100 -0.418 0.000 1.031 253 T CB 1.565 69.953 68.868 -0.799 0.000 1.001 253 T HN 0.320 nan 8.240 nan 0.000 0.531 254 Q N 0.159 119.646 119.800 -0.521 0.000 2.719 254 Q HA 0.271 4.609 4.340 -0.003 0.000 0.376 254 Q C -0.264 175.554 176.000 -0.303 0.000 0.856 254 Q CA -0.323 55.292 55.803 -0.313 0.000 1.038 254 Q CB 0.221 28.857 28.738 -0.169 0.000 1.418 254 Q HN 0.611 nan 8.270 nan 0.000 0.395 255 F N -0.294 119.453 119.950 -0.337 0.000 2.084 255 F HA -0.085 4.440 4.527 -0.003 0.000 0.296 255 F C 1.067 176.584 175.800 -0.471 0.000 1.111 255 F CA 0.993 58.650 58.000 -0.573 0.000 1.224 255 F CB 0.101 38.390 39.000 -1.186 0.000 0.991 255 F HN 0.265 nan 8.300 nan 0.000 0.471 256 F N -0.425 119.645 119.950 0.200 0.000 2.963 256 F HA 0.294 4.819 4.527 -0.003 0.000 0.321 256 F C -0.369 175.454 175.800 0.038 0.000 1.234 256 F CA -1.251 56.805 58.000 0.094 0.000 1.296 256 F CB -0.413 38.606 39.000 0.031 0.000 0.981 256 F HN -0.215 nan 8.300 nan 0.000 0.507 257 D N 1.896 122.364 120.400 0.112 0.000 2.440 257 D HA 0.270 4.908 4.640 -0.003 0.000 0.252 257 D C -1.703 174.630 176.300 0.055 0.000 1.180 257 D CA -2.472 51.566 54.000 0.063 0.000 0.894 257 D CB 2.269 43.072 40.800 0.005 0.000 1.111 257 D HN -0.109 nan 8.370 nan 0.000 0.544 258 P HA -0.169 nan 4.420 nan 0.000 0.218 258 P C 1.125 178.449 177.300 0.040 0.000 1.148 258 P CA 0.789 63.926 63.100 0.062 0.000 0.822 258 P CB 0.328 32.068 31.700 0.066 0.000 0.784 259 A N 0.507 123.345 122.820 0.030 0.000 1.940 259 A HA -0.039 4.279 4.320 -0.003 0.000 0.219 259 A C 2.380 179.969 177.584 0.008 0.000 1.176 259 A CA 1.915 53.963 52.037 0.018 0.000 0.631 259 A CB -1.650 17.358 19.000 0.014 0.000 0.814 259 A HN 0.357 nan 8.150 nan 0.000 0.446 260 G N -2.236 106.564 108.800 -0.001 0.000 3.434 260 G HA2 0.427 4.385 3.960 -0.003 0.000 0.258 260 G HA3 0.427 4.385 3.960 -0.003 0.000 0.258 260 G C 0.887 175.782 174.900 -0.009 0.000 1.128 260 G CA 0.426 45.517 45.100 -0.016 0.000 0.792 260 G HN 1.604 nan 8.290 nan 0.000 0.539 261 G N -0.983 107.825 108.800 0.014 0.000 2.204 261 G HA2 0.164 4.122 3.960 -0.003 0.000 0.244 261 G HA3 0.164 4.122 3.960 -0.003 0.000 0.244 261 G C 0.473 175.399 174.900 0.044 0.000 1.062 261 G CA -0.010 45.107 45.100 0.028 0.000 0.798 261 G HN 1.030 nan 8.290 nan 0.000 0.496 262 G N -0.966 107.868 108.800 0.057 0.000 2.489 262 G HA2 0.604 4.562 3.960 -0.003 0.000 0.327 262 G HA3 0.604 4.562 3.960 -0.003 0.000 0.327 262 G C -1.256 173.734 174.900 0.150 0.000 1.189 262 G CA -0.120 45.038 45.100 0.097 0.000 0.962 262 G HN 0.310 nan 8.290 nan 0.000 0.486 263 D N 0.483 121.017 120.400 0.225 0.000 2.471 263 D HA 0.450 5.088 4.640 -0.003 0.000 0.245 263 D C -1.667 174.824 176.300 0.318 0.000 1.116 263 D CA -2.100 52.040 54.000 0.232 0.000 0.853 263 D CB 2.496 43.421 40.800 0.208 0.000 1.123 263 D HN -0.029 nan 8.370 nan 0.000 0.540 264 P HA -0.125 nan 4.420 nan 0.000 0.218 264 P C 1.485 178.803 177.300 0.029 0.000 1.149 264 P CA 0.415 63.592 63.100 0.129 0.000 0.817 264 P CB 0.412 32.163 31.700 0.086 0.000 0.785 265 V N -0.184 119.780 119.914 0.084 0.000 2.332 265 V HA -0.238 3.880 4.120 -0.003 0.000 0.248 265 V C 2.381 178.503 176.094 0.046 0.000 1.055 265 V CA 1.624 63.950 62.300 0.044 0.000 1.038 265 V CB -1.288 30.579 31.823 0.073 0.000 0.651 265 V HN 0.076 nan 8.190 nan 0.000 0.450 266 L N -0.115 121.215 121.223 0.179 0.000 2.021 266 L HA -0.275 4.063 4.340 -0.003 0.000 0.215 266 L C 2.337 179.257 176.870 0.084 0.000 1.074 266 L CA 2.496 57.489 54.840 0.255 0.000 0.760 266 L CB -0.921 41.340 42.059 0.338 0.000 0.889 266 L HN 0.491 nan 8.230 nan 0.000 0.433 267 Y N 0.272 120.376 120.300 -0.327 0.000 2.151 267 Y HA -0.340 4.208 4.550 -0.003 0.000 0.284 267 Y C 2.532 178.126 175.900 -0.511 0.000 1.166 267 Y CA 2.331 59.960 58.100 -0.786 0.000 1.163 267 Y CB -0.403 37.123 38.460 -1.558 0.000 0.974 267 Y HN 0.428 nan 8.280 nan 0.000 0.511 268 Q N -1.029 118.547 119.800 -0.373 0.000 2.096 268 Q HA -0.276 4.062 4.340 -0.003 0.000 0.204 268 Q C 1.989 177.932 176.000 -0.095 0.000 0.982 268 Q CA 2.112 57.719 55.803 -0.327 0.000 0.850 268 Q CB -0.477 28.213 28.738 -0.081 0.000 0.901 268 Q HN 0.721 nan 8.270 nan 0.000 0.422 269 H N 0.092 119.190 119.070 0.046 0.000 2.293 269 H HA -0.125 4.429 4.556 -0.003 0.000 0.300 269 H C 2.122 177.404 175.328 -0.077 0.000 1.082 269 H CA 1.309 57.478 56.048 0.200 0.000 1.308 269 H CB 0.147 30.051 29.762 0.237 0.000 1.375 269 H HN 0.146 nan 8.280 nan 0.000 0.495 270 I N 0.381 120.891 120.570 -0.100 0.000 2.163 270 I HA -0.235 3.933 4.170 -0.003 0.000 0.243 270 I C 2.459 178.392 176.117 -0.308 0.000 1.085 270 I CA 0.991 62.143 61.300 -0.247 0.000 1.347 270 I CB -1.097 36.730 38.000 -0.289 0.000 1.044 270 I HN 0.269 nan 8.210 nan 0.000 0.408 271 L N 0.465 121.312 121.223 -0.627 0.000 1.970 271 L HA -0.181 4.157 4.340 -0.003 0.000 0.212 271 L C 2.427 179.065 176.870 -0.387 0.000 1.071 271 L CA 2.026 56.428 54.840 -0.730 0.000 0.751 271 L CB -0.799 40.467 42.059 -1.322 0.000 0.889 271 L HN 0.189 nan 8.230 nan 0.000 0.432 272 W N -1.647 119.593 121.300 -0.099 0.000 2.465 272 W HA -0.175 4.483 4.660 -0.002 0.000 0.268 272 W C 2.305 178.842 176.519 0.030 0.000 1.242 272 W CA 0.505 57.852 57.345 0.003 0.000 1.248 272 W CB -0.370 29.193 29.460 0.173 0.000 1.118 272 W HN 0.214 nan 8.180 nan 0.000 0.587 273 F N -0.002 119.873 119.950 -0.125 0.000 2.250 273 F HA -0.234 4.291 4.527 -0.003 0.000 0.301 273 F C 2.006 177.747 175.800 -0.098 0.000 1.077 273 F CA 1.674 59.458 58.000 -0.360 0.000 1.348 273 F CB -0.377 38.265 39.000 -0.597 0.000 1.040 273 F HN -0.003 nan 8.300 nan 0.000 0.509 274 F N -0.401 119.535 119.950 -0.024 0.000 2.500 274 F HA 0.315 4.840 4.527 -0.003 0.000 0.285 274 F C 2.189 177.940 175.800 -0.082 0.000 1.088 274 F CA 1.016 58.967 58.000 -0.081 0.000 1.432 274 F CB -1.119 37.842 39.000 -0.065 0.000 1.131 274 F HN -0.169 nan 8.300 nan 0.000 0.582 275 G N -0.110 108.351 108.800 -0.566 0.000 2.503 275 G HA2 -0.373 3.585 3.960 -0.003 0.000 0.221 275 G HA3 -0.373 3.585 3.960 -0.003 0.000 0.221 275 G C 1.433 176.218 174.900 -0.191 0.000 1.131 275 G CA 1.598 46.399 45.100 -0.497 0.000 0.756 275 G HN 0.544 nan 8.290 nan 0.000 0.572 276 H N 1.489 120.487 119.070 -0.120 0.000 2.317 276 H HA 0.067 4.621 4.556 -0.003 0.000 0.304 276 H C 0.183 175.386 175.328 -0.208 0.000 1.067 276 H CA 1.026 57.050 56.048 -0.041 0.000 1.352 276 H CB -0.652 29.194 29.762 0.140 0.000 1.398 276 H HN 0.228 nan 8.280 nan 0.000 0.510 277 P HA -0.175 nan 4.420 nan 0.000 0.217 277 P C 1.203 178.264 177.300 -0.399 0.000 1.148 277 P CA 2.040 64.857 63.100 -0.473 0.000 0.828 277 P CB 0.004 31.150 31.700 -0.923 0.000 0.783 278 E N 0.205 120.070 120.200 -0.558 0.000 2.097 278 E HA -0.202 4.146 4.350 -0.003 0.000 0.196 278 E C 1.684 178.012 176.600 -0.452 0.000 1.000 278 E CA 1.932 58.020 56.400 -0.521 0.000 0.804 278 E CB -1.181 28.043 29.700 -0.793 0.000 0.740 278 E HN 0.163 nan 8.360 nan 0.000 0.454 279 V N -1.386 118.188 119.914 -0.566 0.000 2.667 279 V HA -0.147 3.971 4.120 -0.003 0.000 0.252 279 V C 1.849 177.515 176.094 -0.713 0.000 1.065 279 V CA 1.538 63.457 62.300 -0.636 0.000 1.083 279 V CB -1.019 30.408 31.823 -0.659 0.000 0.692 279 V HN 0.223 nan 8.190 nan 0.000 0.468 280 Y N 0.461 120.600 120.300 -0.269 0.000 2.286 280 Y HA 0.229 4.777 4.550 -0.004 0.000 0.293 280 Y C 2.360 178.158 175.900 -0.171 0.000 1.124 280 Y CA 1.009 58.993 58.100 -0.193 0.000 1.178 280 Y CB -0.521 37.837 38.460 -0.170 0.000 1.010 280 Y HN 0.180 nan 8.280 nan 0.000 0.536 281 I N -0.475 120.029 120.570 -0.109 0.000 2.361 281 I HA -0.293 3.875 4.170 -0.003 0.000 0.251 281 I C 1.930 177.962 176.117 -0.141 0.000 1.133 281 I CA 1.372 62.604 61.300 -0.114 0.000 1.413 281 I CB -0.284 37.618 38.000 -0.162 0.000 1.073 281 I HN 0.200 nan 8.210 nan 0.000 0.424 282 I N -0.324 120.125 120.570 -0.201 0.000 2.500 282 I HA -0.225 3.943 4.170 -0.003 0.000 0.252 282 I C 2.271 178.290 176.117 -0.164 0.000 1.142 282 I CA 1.096 62.284 61.300 -0.187 0.000 1.451 282 I CB 0.082 37.931 38.000 -0.251 0.000 1.093 282 I HN 0.175 nan 8.210 nan 0.000 0.430 283 I N 0.082 120.514 120.570 -0.230 0.000 2.731 283 I HA -0.074 4.094 4.170 -0.003 0.000 0.260 283 I C 2.131 177.855 176.117 -0.655 0.000 1.138 283 I CA 1.021 62.086 61.300 -0.392 0.000 1.461 283 I CB -0.054 37.713 38.000 -0.389 0.000 1.128 283 I HN 0.016 nan 8.210 nan 0.000 0.438 284 L N 1.136 122.115 121.223 -0.407 0.000 1.978 284 L HA -0.228 4.110 4.340 -0.003 0.000 0.218 284 L C -0.301 176.579 176.870 0.018 0.000 1.075 284 L CA 2.063 56.801 54.840 -0.171 0.000 0.767 284 L CB -2.291 39.806 42.059 0.062 0.000 0.890 284 L HN 0.183 nan 8.230 nan 0.000 0.434 285 P HA -0.131 nan 4.420 nan 0.000 0.219 285 P C 1.485 178.941 177.300 0.261 0.000 1.146 285 P CA 1.658 64.868 63.100 0.183 0.000 0.808 285 P CB -0.174 31.655 31.700 0.216 0.000 0.779 286 G N -1.242 107.597 108.800 0.066 0.000 2.408 286 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.217 286 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.217 286 G C 1.176 176.078 174.900 0.003 0.000 1.150 286 G CA 0.335 45.425 45.100 -0.016 0.000 0.776 286 G HN 0.101 nan 8.290 nan 0.000 0.542 287 F N 1.952 121.912 119.950 0.018 0.000 2.095 287 F HA 0.002 4.527 4.527 -0.003 0.000 0.298 287 F C 2.862 178.817 175.800 0.258 0.000 1.104 287 F CA 0.443 58.541 58.000 0.164 0.000 1.232 287 F CB -1.218 37.988 39.000 0.342 0.000 0.987 287 F HN 0.185 nan 8.300 nan 0.000 0.475 288 G N 0.660 109.781 108.800 0.535 0.000 2.514 288 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.217 288 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.217 288 G C 1.904 177.071 174.900 0.446 0.000 1.198 288 G CA 1.177 46.630 45.100 0.587 0.000 0.780 288 G HN 0.355 nan 8.290 nan 0.000 0.565 289 I N 0.745 121.482 120.570 0.278 0.000 2.194 289 I HA -0.199 3.969 4.170 -0.003 0.000 0.246 289 I C 2.645 178.560 176.117 -0.336 0.000 1.093 289 I CA 0.717 61.869 61.300 -0.246 0.000 1.355 289 I CB -0.284 37.478 38.000 -0.396 0.000 1.046 289 I HN 0.106 nan 8.210 nan 0.000 0.413 290 I N 0.542 120.916 120.570 -0.327 0.000 2.179 290 I HA -0.249 3.920 4.170 -0.003 0.000 0.242 290 I C 2.732 178.615 176.117 -0.390 0.000 1.088 290 I CA 1.470 62.428 61.300 -0.570 0.000 1.357 290 I CB -1.280 36.069 38.000 -1.084 0.000 1.051 290 I HN 0.188 nan 8.210 nan 0.000 0.409 291 S N -0.047 115.672 115.700 0.032 0.000 2.359 291 S HA -0.241 4.227 4.470 -0.003 0.000 0.222 291 S C 1.902 176.576 174.600 0.125 0.000 1.038 291 S CA 1.389 59.796 58.200 0.345 0.000 1.051 291 S CB -0.691 62.854 63.200 0.575 0.000 0.944 291 S HN 0.505 nan 8.310 nan 0.000 0.433 292 H N 0.196 119.253 119.070 -0.021 0.000 2.319 292 H HA -0.079 4.475 4.556 -0.003 0.000 0.297 292 H C 2.269 177.362 175.328 -0.392 0.000 1.097 292 H CA 1.674 57.656 56.048 -0.111 0.000 1.285 292 H CB -0.433 29.298 29.762 -0.052 0.000 1.368 292 H HN 0.228 nan 8.280 nan 0.000 0.495 293 V N 1.496 121.091 119.914 -0.532 0.000 2.343 293 V HA -0.232 3.886 4.120 -0.003 0.000 0.247 293 V C 2.617 178.582 176.094 -0.215 0.000 1.051 293 V CA 1.134 63.047 62.300 -0.644 0.000 1.036 293 V CB -0.398 31.006 31.823 -0.698 0.000 0.654 293 V HN 0.296 nan 8.190 nan 0.000 0.451 294 I N 1.355 121.809 120.570 -0.194 0.000 2.072 294 I HA -0.217 3.951 4.170 -0.003 0.000 0.235 294 I C 2.890 178.990 176.117 -0.029 0.000 1.058 294 I CA 2.290 63.543 61.300 -0.079 0.000 1.320 294 I CB -1.658 36.306 38.000 -0.059 0.000 1.047 294 I HN 0.553 nan 8.210 nan 0.000 0.397 295 S N 0.132 115.822 115.700 -0.015 0.000 2.392 295 S HA -0.235 4.233 4.470 -0.003 0.000 0.232 295 S C 1.993 176.525 174.600 -0.114 0.000 1.041 295 S CA 2.221 60.403 58.200 -0.029 0.000 1.026 295 S CB -1.191 62.015 63.200 0.010 0.000 0.845 295 S HN 0.467 nan 8.310 nan 0.000 0.465 296 T N 1.096 115.551 114.554 -0.166 0.000 2.777 296 T HA 0.100 4.448 4.350 -0.003 0.000 0.266 296 T C 1.052 175.414 174.700 -0.564 0.000 1.040 296 T CA 1.440 63.329 62.100 -0.353 0.000 1.141 296 T CB -0.446 68.138 68.868 -0.473 0.000 0.868 296 T HN 0.537 nan 8.240 nan 0.000 0.444 297 F N 0.490 120.250 119.950 -0.315 0.000 2.776 297 F HA 0.449 4.974 4.527 -0.003 0.000 0.300 297 F C 2.099 177.708 175.800 -0.319 0.000 1.116 297 F CA -0.228 57.563 58.000 -0.348 0.000 1.375 297 F CB -0.014 38.727 39.000 -0.431 0.000 1.109 297 F HN 0.094 nan 8.300 nan 0.000 0.585 298 A N -0.320 122.418 122.820 -0.136 0.000 2.308 298 A HA 0.157 4.475 4.320 -0.003 0.000 0.217 298 A C 1.213 178.653 177.584 -0.240 0.000 1.216 298 A CA -0.129 51.821 52.037 -0.145 0.000 0.864 298 A CB -0.398 18.573 19.000 -0.049 0.000 0.902 298 A HN 0.249 nan 8.150 nan 0.000 0.499 299 K N -0.675 119.511 120.400 -0.356 0.000 3.012 299 K HA -0.188 4.130 4.320 -0.003 0.000 0.259 299 K C -0.513 175.470 176.600 -1.028 0.000 0.989 299 K CA 1.291 57.157 56.287 -0.702 0.000 0.728 299 K CB -1.257 31.019 32.500 -0.374 0.000 1.260 299 K HN 0.583 nan 8.250 nan 0.000 0.480 300 K N -0.543 119.495 120.400 -0.604 0.000 2.469 300 K HA 0.372 4.690 4.320 -0.003 0.000 0.254 300 K C -2.783 173.770 176.600 -0.078 0.000 0.939 300 K CA -2.335 53.776 56.287 -0.293 0.000 0.812 300 K CB 2.440 34.887 32.500 -0.089 0.000 1.301 300 K HN -0.279 nan 8.250 nan 0.000 0.433 301 P HA 0.067 nan 4.420 nan 0.000 0.272 301 P C -0.302 177.061 177.300 0.105 0.000 1.240 301 P CA -0.527 62.629 63.100 0.093 0.000 0.791 301 P CB 0.452 32.200 31.700 0.081 0.000 0.978 302 I N 2.261 122.907 120.570 0.127 0.000 2.683 302 I HA -0.046 4.122 4.170 -0.003 0.000 0.286 302 I C 0.362 176.591 176.117 0.187 0.000 1.175 302 I CA 0.153 61.562 61.300 0.182 0.000 1.429 302 I CB -0.877 37.245 38.000 0.204 0.000 1.371 302 I HN 0.279 nan 8.210 nan 0.000 0.569 303 F N 5.904 125.904 119.950 0.083 0.000 2.443 303 F HA 0.449 4.974 4.527 -0.003 0.000 0.353 303 F C 1.204 177.018 175.800 0.024 0.000 1.101 303 F CA -0.186 57.846 58.000 0.053 0.000 1.226 303 F CB 0.791 39.820 39.000 0.048 0.000 1.140 303 F HN 0.712 nan 8.300 nan 0.000 0.557 304 G N 6.200 114.906 108.800 -0.157 0.000 2.370 304 G HA2 -0.392 3.566 3.960 -0.003 0.000 0.293 304 G HA3 -0.392 3.566 3.960 -0.003 0.000 0.293 304 G C 0.416 175.361 174.900 0.075 0.000 0.992 304 G CA 0.734 45.839 45.100 0.009 0.000 1.247 304 G HN 1.018 nan 8.290 nan 0.000 0.505 305 Y N 0.935 121.211 120.300 -0.041 0.000 2.053 305 Y HA -0.141 4.407 4.550 -0.003 0.000 0.277 305 Y C 2.547 178.431 175.900 -0.027 0.000 1.159 305 Y CA 2.515 60.616 58.100 0.001 0.000 1.125 305 Y CB -0.416 38.066 38.460 0.036 0.000 0.969 305 Y HN 0.434 nan 8.280 nan 0.000 0.492 306 L N 0.743 122.099 121.223 0.223 0.000 2.043 306 L HA -0.122 4.216 4.340 -0.003 0.000 0.212 306 L C -0.832 175.960 176.870 -0.130 0.000 1.075 306 L CA 2.114 56.963 54.840 0.014 0.000 0.752 306 L CB -1.642 40.397 42.059 -0.034 0.000 0.891 306 L HN 0.147 nan 8.230 nan 0.000 0.432 307 P HA -0.160 nan 4.420 nan 0.000 0.215 307 P C 1.978 179.184 177.300 -0.158 0.000 1.153 307 P CA 1.403 64.444 63.100 -0.099 0.000 0.853 307 P CB -0.083 31.592 31.700 -0.041 0.000 0.788 308 M N -1.088 118.395 119.600 -0.195 0.000 2.080 308 M HA -0.125 4.353 4.480 -0.003 0.000 0.260 308 M C 2.059 178.199 176.300 -0.267 0.000 1.068 308 M CA 1.722 56.869 55.300 -0.255 0.000 1.109 308 M CB -1.743 30.703 32.600 -0.256 0.000 1.342 308 M HN -0.151 nan 8.290 nan 0.000 0.405 309 V N 0.649 120.330 119.914 -0.388 0.000 2.261 309 V HA -0.255 3.863 4.120 -0.003 0.000 0.246 309 V C 2.575 178.478 176.094 -0.319 0.000 1.047 309 V CA 1.529 63.536 62.300 -0.487 0.000 1.015 309 V CB -0.783 30.547 31.823 -0.822 0.000 0.642 309 V HN 0.418 nan 8.190 nan 0.000 0.446 310 L N -0.007 121.071 121.223 -0.243 0.000 2.191 310 L HA -0.166 4.172 4.340 -0.003 0.000 0.212 310 L C 2.668 179.470 176.870 -0.114 0.000 1.103 310 L CA 1.276 56.023 54.840 -0.154 0.000 0.769 310 L CB -0.828 41.160 42.059 -0.120 0.000 0.908 310 L HN 0.377 nan 8.230 nan 0.000 0.438 311 A N 0.424 123.170 122.820 -0.124 0.000 1.845 311 A HA -0.228 4.090 4.320 -0.003 0.000 0.215 311 A C 2.310 179.868 177.584 -0.042 0.000 1.195 311 A CA 1.757 53.739 52.037 -0.093 0.000 0.616 311 A CB -0.529 18.387 19.000 -0.141 0.000 0.832 311 A HN 0.317 nan 8.150 nan 0.000 0.443 312 M N -0.238 119.351 119.600 -0.020 0.000 2.144 312 M HA -0.199 4.279 4.480 -0.003 0.000 0.260 312 M C 2.460 178.783 176.300 0.039 0.000 1.067 312 M CA 1.493 56.837 55.300 0.074 0.000 1.095 312 M CB -0.577 32.099 32.600 0.126 0.000 1.365 312 M HN 0.500 nan 8.290 nan 0.000 0.406 313 A N 0.631 123.440 122.820 -0.019 0.000 1.877 313 A HA -0.066 4.252 4.320 -0.003 0.000 0.216 313 A C 2.439 180.011 177.584 -0.021 0.000 1.186 313 A CA 2.070 54.091 52.037 -0.027 0.000 0.620 313 A CB -1.016 17.945 19.000 -0.066 0.000 0.822 313 A HN 0.494 nan 8.150 nan 0.000 0.443 314 A N 0.041 122.843 122.820 -0.030 0.000 1.858 314 A HA -0.112 4.206 4.320 -0.003 0.000 0.216 314 A C 2.132 179.700 177.584 -0.027 0.000 1.190 314 A CA 1.581 53.602 52.037 -0.027 0.000 0.617 314 A CB -0.744 18.236 19.000 -0.033 0.000 0.827 314 A HN 0.495 nan 8.150 nan 0.000 0.443 315 I N -0.208 120.342 120.570 -0.033 0.000 2.194 315 I HA -0.288 3.880 4.170 -0.003 0.000 0.246 315 I C 2.665 178.704 176.117 -0.128 0.000 1.093 315 I CA 1.253 62.493 61.300 -0.099 0.000 1.355 315 I CB -0.739 37.247 38.000 -0.024 0.000 1.046 315 I HN 0.441 nan 8.210 nan 0.000 0.413 316 G N 1.929 110.729 108.800 -0.001 0.000 2.453 316 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.215 316 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.215 316 G C 1.580 176.589 174.900 0.181 0.000 1.201 316 G CA 1.172 46.331 45.100 0.099 0.000 0.784 316 G HN 0.544 nan 8.290 nan 0.000 0.545 317 I N -1.111 119.508 120.570 0.082 0.000 2.493 317 I HA 0.100 4.268 4.170 -0.003 0.000 0.254 317 I C 2.248 178.445 176.117 0.134 0.000 1.160 317 I CA 1.101 62.445 61.300 0.073 0.000 1.445 317 I CB -0.181 37.809 38.000 -0.017 0.000 1.086 317 I HN 0.107 nan 8.210 nan 0.000 0.433 318 L N 0.967 122.234 121.223 0.074 0.000 2.270 318 L HA 0.180 4.518 4.340 -0.003 0.000 0.210 318 L C 2.466 179.384 176.870 0.080 0.000 1.104 318 L CA 0.830 55.704 54.840 0.057 0.000 0.804 318 L CB -0.817 41.237 42.059 -0.008 0.000 0.937 318 L HN 0.469 nan 8.230 nan 0.000 0.450 319 G N -1.038 107.769 108.800 0.011 0.000 2.708 319 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.210 319 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.210 319 G C 1.053 176.035 174.900 0.137 0.000 1.141 319 G CA 0.153 45.256 45.100 0.004 0.000 0.788 319 G HN 0.254 nan 8.290 nan 0.000 0.531 320 F N -0.361 119.637 119.950 0.079 0.000 2.720 320 F HA 0.161 4.686 4.527 -0.003 0.000 0.301 320 F C 1.838 177.694 175.800 0.094 0.000 1.103 320 F CA 0.058 58.042 58.000 -0.027 0.000 1.291 320 F CB 0.996 39.950 39.000 -0.077 0.000 1.086 320 F HN 0.069 nan 8.300 nan 0.000 0.592 321 V N -1.760 118.361 119.914 0.345 0.000 3.121 321 V HA 0.288 4.406 4.120 -0.003 0.000 0.344 321 V C 0.336 176.562 176.094 0.220 0.000 1.390 321 V CA 0.322 62.865 62.300 0.405 0.000 1.177 321 V CB -0.326 31.659 31.823 0.270 0.000 1.163 321 V HN 0.035 nan 8.190 nan 0.000 0.484 322 V N -3.476 116.538 119.914 0.167 0.000 3.157 322 V HA 0.331 4.449 4.120 -0.003 0.000 0.361 322 V C 1.220 177.044 176.094 -0.451 0.000 1.421 322 V CA -0.127 62.087 62.300 -0.144 0.000 1.213 322 V CB -0.764 30.843 31.823 -0.360 0.000 1.164 322 V HN 0.668 nan 8.190 nan 0.000 0.559 323 W N 1.596 122.830 121.300 -0.110 0.000 2.363 323 W HA 0.130 4.788 4.660 -0.003 0.000 0.296 323 W C 1.817 178.209 176.519 -0.211 0.000 1.212 323 W CA 1.754 59.012 57.345 -0.145 0.000 1.260 323 W CB -0.816 28.716 29.460 0.121 0.000 1.131 323 W HN 0.281 nan 8.180 nan 0.000 0.530 324 A N 1.570 123.568 122.820 -1.369 0.000 2.248 324 A HA -0.170 4.148 4.320 -0.003 0.000 0.210 324 A C 1.591 178.611 177.584 -0.939 0.000 1.174 324 A CA 1.165 52.425 52.037 -1.294 0.000 0.750 324 A CB -2.039 15.620 19.000 -2.234 0.000 0.780 324 A HN 0.816 nan 8.150 nan 0.000 0.478 325 H N -3.879 114.666 119.070 -0.875 0.000 2.556 325 H HA 0.145 4.699 4.556 -0.003 0.000 0.273 325 H C 0.833 175.431 175.328 -1.217 0.000 1.030 325 H CA 0.381 55.739 56.048 -1.149 0.000 1.156 325 H CB -0.198 29.158 29.762 -0.678 0.000 1.326 325 H HN 0.617 nan 8.280 nan 0.000 0.609 326 H N 0.447 119.119 119.070 -0.663 0.000 2.755 326 H HA 0.238 4.792 4.556 -0.003 0.000 0.273 326 H C 0.312 175.365 175.328 -0.459 0.000 1.055 326 H CA 0.110 55.699 56.048 -0.765 0.000 1.191 326 H CB 0.790 29.582 29.762 -1.617 0.000 1.536 326 H HN 0.481 nan 8.280 nan 0.000 0.529 327 M N 0.063 119.439 119.600 -0.374 0.000 3.002 327 M HA 0.130 4.608 4.480 -0.003 0.000 0.398 327 M C 0.111 176.301 176.300 -0.182 0.000 1.366 327 M CA -0.248 54.934 55.300 -0.196 0.000 0.824 327 M CB 0.581 33.075 32.600 -0.176 0.000 1.414 327 M HN -0.050 nan 8.290 nan 0.000 0.501 328 Y N 0.747 120.958 120.300 -0.148 0.000 2.274 328 Y HA -0.123 4.425 4.550 -0.003 0.000 0.290 328 Y C 2.792 178.602 175.900 -0.150 0.000 1.145 328 Y CA 1.829 59.850 58.100 -0.132 0.000 1.203 328 Y CB -0.851 37.553 38.460 -0.093 0.000 0.984 328 Y HN 0.411 nan 8.280 nan 0.000 0.533 329 T N -3.515 110.969 114.554 -0.116 0.000 3.107 329 T HA 0.370 4.718 4.350 -0.003 0.000 0.249 329 T C 1.720 176.353 174.700 -0.112 0.000 1.096 329 T CA 0.408 62.410 62.100 -0.164 0.000 1.012 329 T CB -0.162 68.499 68.868 -0.344 0.000 0.977 329 T HN 0.201 nan 8.240 nan 0.000 0.527 330 A N 1.172 123.948 122.820 -0.074 0.000 2.169 330 A HA 0.612 4.930 4.320 -0.003 0.000 0.212 330 A C 1.661 179.256 177.584 0.017 0.000 1.153 330 A CA 0.259 52.289 52.037 -0.011 0.000 0.756 330 A CB -0.738 18.264 19.000 0.003 0.000 0.813 330 A HN 1.401 nan 8.150 nan 0.000 0.471 331 G N -0.835 107.978 108.800 0.020 0.000 2.754 331 G HA2 -0.106 3.852 3.960 -0.003 0.000 0.215 331 G HA3 -0.106 3.852 3.960 -0.003 0.000 0.215 331 G C -0.296 174.644 174.900 0.066 0.000 1.121 331 G CA -0.025 45.101 45.100 0.043 0.000 0.954 331 G HN 0.277 nan 8.290 nan 0.000 0.511 332 M N 1.261 120.903 119.600 0.070 0.000 2.537 332 M HA 0.567 5.045 4.480 -0.003 0.000 0.324 332 M C 1.227 177.586 176.300 0.099 0.000 1.187 332 M CA -0.612 54.750 55.300 0.104 0.000 0.993 332 M CB 1.735 34.400 32.600 0.107 0.000 1.666 332 M HN 0.649 nan 8.290 nan 0.000 0.461 333 S N 1.109 116.877 115.700 0.114 0.000 2.576 333 S HA 0.065 4.533 4.470 -0.003 0.000 0.272 333 S C 0.792 175.447 174.600 0.091 0.000 1.352 333 S CA -0.702 57.554 58.200 0.093 0.000 1.021 333 S CB 0.601 63.858 63.200 0.095 0.000 0.887 333 S HN 0.747 nan 8.310 nan 0.000 0.542 334 L N 2.356 123.617 121.223 0.063 0.000 2.079 334 L HA -0.071 4.267 4.340 -0.003 0.000 0.210 334 L C 2.434 179.346 176.870 0.070 0.000 1.081 334 L CA 2.328 57.197 54.840 0.048 0.000 0.752 334 L CB -1.648 40.428 42.059 0.027 0.000 0.896 334 L HN 0.977 nan 8.230 nan 0.000 0.433 335 T N -0.928 113.676 114.554 0.083 0.000 2.708 335 T HA -0.214 4.134 4.350 -0.003 0.000 0.266 335 T C 1.814 176.616 174.700 0.171 0.000 1.037 335 T CA 1.712 63.872 62.100 0.099 0.000 1.146 335 T CB -0.214 68.701 68.868 0.078 0.000 0.865 335 T HN 0.479 nan 8.240 nan 0.000 0.435 336 Q N 0.733 120.659 119.800 0.210 0.000 2.096 336 Q HA -0.156 4.182 4.340 -0.003 0.000 0.204 336 Q C 2.633 178.904 176.000 0.452 0.000 0.982 336 Q CA 1.345 57.367 55.803 0.365 0.000 0.850 336 Q CB -0.202 28.732 28.738 0.327 0.000 0.901 336 Q HN 0.628 nan 8.270 nan 0.000 0.422 337 Q N -0.037 119.928 119.800 0.274 0.000 2.050 337 Q HA -0.170 4.168 4.340 -0.003 0.000 0.202 337 Q C 2.156 178.250 176.000 0.156 0.000 0.980 337 Q CA 1.327 57.270 55.803 0.232 0.000 0.840 337 Q CB -0.236 28.546 28.738 0.074 0.000 0.898 337 Q HN 0.371 nan 8.270 nan 0.000 0.424 338 A N 0.628 123.509 122.820 0.101 0.000 1.877 338 A HA -0.239 4.079 4.320 -0.003 0.000 0.216 338 A C 1.965 179.577 177.584 0.045 0.000 1.186 338 A CA 1.593 53.656 52.037 0.044 0.000 0.620 338 A CB -1.018 18.009 19.000 0.044 0.000 0.822 338 A HN 0.533 nan 8.150 nan 0.000 0.443 339 Y N -0.333 119.977 120.300 0.017 0.000 2.070 339 Y HA -0.260 4.288 4.550 -0.003 0.000 0.280 339 Y C 1.952 177.776 175.900 -0.127 0.000 1.148 339 Y CA 1.962 60.008 58.100 -0.090 0.000 1.125 339 Y CB -0.927 37.424 38.460 -0.182 0.000 0.975 339 Y HN 0.241 nan 8.280 nan 0.000 0.492 340 F N 0.128 119.739 119.950 -0.564 0.000 2.192 340 F HA -0.303 4.222 4.527 -0.004 0.000 0.301 340 F C 2.782 178.394 175.800 -0.315 0.000 1.079 340 F CA 2.012 59.659 58.000 -0.588 0.000 1.303 340 F CB -0.581 38.253 39.000 -0.277 0.000 1.024 340 F HN 0.230 nan 8.300 nan 0.000 0.494 341 M N -0.225 119.391 119.600 0.026 0.000 2.099 341 M HA -0.174 4.304 4.480 -0.003 0.000 0.262 341 M C 2.019 178.270 176.300 -0.082 0.000 1.067 341 M CA 1.782 57.098 55.300 0.027 0.000 1.124 341 M CB -0.261 32.315 32.600 -0.040 0.000 1.353 341 M HN 0.170 nan 8.290 nan 0.000 0.410 342 L N 0.309 121.441 121.223 -0.150 0.000 1.994 342 L HA -0.170 4.168 4.340 -0.003 0.000 0.208 342 L C 2.837 179.599 176.870 -0.180 0.000 1.071 342 L CA 1.410 56.168 54.840 -0.137 0.000 0.745 342 L CB -1.231 40.762 42.059 -0.110 0.000 0.892 342 L HN 0.424 nan 8.230 nan 0.000 0.431 343 A N -0.383 122.218 122.820 -0.366 0.000 1.908 343 A HA -0.213 4.105 4.320 -0.003 0.000 0.218 343 A C 2.360 179.826 177.584 -0.196 0.000 1.181 343 A CA 2.438 54.267 52.037 -0.347 0.000 0.627 343 A CB -0.999 17.576 19.000 -0.707 0.000 0.818 343 A HN 0.429 nan 8.150 nan 0.000 0.445 344 T N 0.144 114.598 114.554 -0.167 0.000 2.833 344 T HA -0.115 4.233 4.350 -0.003 0.000 0.269 344 T C 1.877 176.584 174.700 0.012 0.000 1.054 344 T CA 1.646 63.724 62.100 -0.036 0.000 1.135 344 T CB -0.316 68.605 68.868 0.088 0.000 0.869 344 T HN 0.467 nan 8.240 nan 0.000 0.466 345 M N 1.427 121.017 119.600 -0.017 0.000 2.213 345 M HA -0.099 4.379 4.480 -0.003 0.000 0.263 345 M C 2.823 179.121 176.300 -0.003 0.000 1.062 345 M CA 1.681 56.977 55.300 -0.006 0.000 1.105 345 M CB -0.944 31.643 32.600 -0.021 0.000 1.385 345 M HN 0.420 nan 8.290 nan 0.000 0.417 346 T N 0.347 114.890 114.554 -0.019 0.000 2.759 346 T HA -0.152 4.196 4.350 -0.003 0.000 0.269 346 T C 1.509 176.209 174.700 0.001 0.000 1.042 346 T CA 1.389 63.481 62.100 -0.012 0.000 1.140 346 T CB -1.041 67.814 68.868 -0.022 0.000 0.864 346 T HN 0.663 nan 8.240 nan 0.000 0.455 347 I N -0.563 120.013 120.570 0.010 0.000 3.164 347 I HA 0.256 4.424 4.170 -0.003 0.000 0.278 347 I C 2.383 178.528 176.117 0.046 0.000 1.320 347 I CA 0.773 62.083 61.300 0.016 0.000 1.422 347 I CB -0.739 37.264 38.000 0.005 0.000 1.066 347 I HN 0.282 nan 8.210 nan 0.000 0.503 348 A N 1.236 124.081 122.820 0.042 0.000 1.975 348 A HA 0.049 4.367 4.320 -0.003 0.000 0.215 348 A C 2.308 179.908 177.584 0.026 0.000 1.170 348 A CA 1.112 53.174 52.037 0.042 0.000 0.656 348 A CB -0.640 18.376 19.000 0.027 0.000 0.821 348 A HN 0.319 nan 8.150 nan 0.000 0.449 349 V N 0.813 120.737 119.914 0.018 0.000 2.214 349 V HA -0.193 3.925 4.120 -0.003 0.000 0.245 349 V C -0.031 176.063 176.094 0.000 0.000 1.047 349 V CA 2.732 65.040 62.300 0.014 0.000 0.998 349 V CB -1.607 30.220 31.823 0.007 0.000 0.633 349 V HN 0.359 nan 8.190 nan 0.000 0.446 350 P HA -0.124 nan 4.420 nan 0.000 0.216 350 P C 1.742 179.010 177.300 -0.054 0.000 1.150 350 P CA 1.778 64.858 63.100 -0.033 0.000 0.837 350 P CB -0.233 31.452 31.700 -0.025 0.000 0.786 351 T N -1.419 113.132 114.554 -0.004 0.000 2.833 351 T HA -0.086 4.262 4.350 -0.003 0.000 0.269 351 T C 1.990 176.630 174.700 -0.100 0.000 1.054 351 T CA 1.597 63.705 62.100 0.012 0.000 1.135 351 T CB -1.211 67.765 68.868 0.181 0.000 0.869 351 T HN 0.196 nan 8.240 nan 0.000 0.466 352 G N 2.319 111.062 108.800 -0.095 0.000 2.433 352 G HA2 -0.165 3.794 3.960 -0.003 0.000 0.216 352 G HA3 -0.165 3.794 3.960 -0.003 0.000 0.216 352 G C 1.434 176.204 174.900 -0.218 0.000 1.186 352 G CA 0.544 45.527 45.100 -0.195 0.000 0.779 352 G HN 0.363 nan 8.290 nan 0.000 0.543 353 I N 1.487 122.013 120.570 -0.074 0.000 2.087 353 I HA -0.231 3.937 4.170 -0.003 0.000 0.240 353 I C 2.638 178.604 176.117 -0.252 0.000 1.054 353 I CA 1.552 62.811 61.300 -0.068 0.000 1.311 353 I CB -1.195 36.748 38.000 -0.094 0.000 1.024 353 I HN 0.253 nan 8.210 nan 0.000 0.402 354 K N 0.422 120.556 120.400 -0.443 0.000 2.063 354 K HA -0.143 4.175 4.320 -0.003 0.000 0.208 354 K C 2.143 178.182 176.600 -0.934 0.000 1.048 354 K CA 1.450 57.200 56.287 -0.894 0.000 0.928 354 K CB -0.406 31.429 32.500 -1.109 0.000 0.713 354 K HN 0.223 nan 8.250 nan 0.000 0.442 355 V N 0.924 120.541 119.914 -0.495 0.000 2.358 355 V HA -0.216 3.902 4.120 -0.003 0.000 0.246 355 V C 2.082 178.076 176.094 -0.167 0.000 1.047 355 V CA 1.669 63.863 62.300 -0.178 0.000 1.035 355 V CB -0.578 31.064 31.823 -0.302 0.000 0.658 355 V HN 0.110 nan 8.190 nan 0.000 0.452 356 F N 0.728 120.602 119.950 -0.126 0.000 2.163 356 F HA -0.079 4.446 4.527 -0.003 0.000 0.297 356 F C 2.732 178.375 175.800 -0.263 0.000 1.094 356 F CA 1.313 59.207 58.000 -0.177 0.000 1.290 356 F CB -1.261 37.614 39.000 -0.210 0.000 1.017 356 F HN 0.011 nan 8.300 nan 0.000 0.483 357 S N -0.782 114.835 115.700 -0.138 0.000 2.374 357 S HA -0.225 4.244 4.470 -0.003 0.000 0.227 357 S C 1.918 176.479 174.600 -0.064 0.000 1.037 357 S CA 1.312 59.382 58.200 -0.216 0.000 1.024 357 S CB -0.500 62.581 63.200 -0.198 0.000 0.861 357 S HN 0.392 nan 8.310 nan 0.000 0.456 358 W N 1.532 122.810 121.300 -0.038 0.000 2.363 358 W HA 0.014 4.672 4.660 -0.004 0.000 0.296 358 W C 1.997 178.509 176.519 -0.011 0.000 1.212 358 W CA 0.212 57.544 57.345 -0.022 0.000 1.260 358 W CB -0.909 28.518 29.460 -0.054 0.000 1.131 358 W HN 0.278 nan 8.180 nan 0.000 0.530 359 I N 0.341 121.027 120.570 0.192 0.000 2.163 359 I HA -0.243 3.925 4.170 -0.003 0.000 0.240 359 I C 2.563 178.775 176.117 0.157 0.000 1.081 359 I CA 1.721 63.113 61.300 0.153 0.000 1.353 359 I CB -1.909 36.168 38.000 0.128 0.000 1.054 359 I HN -0.157 nan 8.210 nan 0.000 0.407 360 A N 0.630 123.412 122.820 -0.064 0.000 1.948 360 A HA -0.237 4.081 4.320 -0.003 0.000 0.220 360 A C 2.441 180.123 177.584 0.163 0.000 1.177 360 A CA 2.618 54.533 52.037 -0.204 0.000 0.636 360 A CB -1.151 17.179 19.000 -1.117 0.000 0.815 360 A HN 0.450 nan 8.150 nan 0.000 0.449 361 T N 0.120 114.797 114.554 0.204 0.000 2.674 361 T HA -0.150 4.198 4.350 -0.003 0.000 0.265 361 T C 1.852 176.688 174.700 0.226 0.000 1.039 361 T CA 1.893 64.162 62.100 0.282 0.000 1.150 361 T CB -0.324 68.713 68.868 0.282 0.000 0.864 361 T HN 0.504 nan 8.240 nan 0.000 0.427 362 M N -0.183 119.549 119.600 0.220 0.000 2.460 362 M HA -0.001 4.477 4.480 -0.003 0.000 0.263 362 M C 2.066 178.478 176.300 0.186 0.000 1.071 362 M CA 0.815 56.223 55.300 0.179 0.000 1.096 362 M CB -0.214 32.520 32.600 0.223 0.000 1.408 362 M HN 0.390 nan 8.290 nan 0.000 0.463 363 W N 1.524 122.859 121.300 0.060 0.000 2.318 363 W HA -0.111 4.546 4.660 -0.004 0.000 0.313 363 W C 1.092 177.639 176.519 0.047 0.000 1.221 363 W CA 1.573 58.947 57.345 0.048 0.000 1.266 363 W CB -0.346 29.129 29.460 0.025 0.000 1.150 363 W HN 0.202 nan 8.180 nan 0.000 0.496 364 G N 1.291 110.188 108.800 0.162 0.000 2.852 364 G HA2 0.334 4.292 3.960 -0.003 0.000 0.280 364 G HA3 0.334 4.292 3.960 -0.003 0.000 0.280 364 G C 0.751 175.621 174.900 -0.050 0.000 0.731 364 G CA 0.184 45.310 45.100 0.043 0.000 2.037 364 G HN 0.430 nan 8.290 nan 0.000 0.560 365 G N 1.299 110.020 108.800 -0.132 0.000 2.482 365 G HA2 -0.042 3.916 3.960 -0.003 0.000 0.904 365 G HA3 -0.042 3.916 3.960 -0.003 0.000 0.904 365 G C 0.735 175.570 174.900 -0.107 0.000 1.358 365 G CA 0.386 45.410 45.100 -0.128 0.000 0.890 365 G HN 1.740 nan 8.290 nan 0.000 0.516 366 S N -1.990 113.648 115.700 -0.104 0.000 3.310 366 S HA -0.174 4.294 4.470 -0.003 0.000 0.431 366 S C 0.021 174.526 174.600 -0.159 0.000 0.807 366 S CA 0.972 59.105 58.200 -0.112 0.000 1.358 366 S CB -1.265 61.875 63.200 -0.101 0.000 1.027 366 S HN 1.041 nan 8.310 nan 0.000 0.666 367 I N 3.723 124.172 120.570 -0.202 0.000 2.447 367 I HA 0.353 4.521 4.170 -0.003 0.000 0.287 367 I C 0.163 175.986 176.117 -0.489 0.000 1.023 367 I CA -0.546 60.523 61.300 -0.384 0.000 1.083 367 I CB 1.917 39.595 38.000 -0.537 0.000 1.245 367 I HN 0.418 nan 8.210 nan 0.000 0.434 368 E N 5.545 125.517 120.200 -0.381 0.000 2.174 368 E HA 0.298 4.646 4.350 -0.003 0.000 0.282 368 E C -1.036 175.310 176.600 -0.425 0.000 0.992 368 E CA -0.538 55.718 56.400 -0.239 0.000 0.803 368 E CB 1.351 31.047 29.700 -0.006 0.000 1.090 368 E HN 0.356 nan 8.360 nan 0.000 0.396 369 F N 3.457 123.321 119.950 -0.143 0.000 2.660 369 F HA 0.146 4.671 4.527 -0.003 0.000 0.342 369 F C 0.645 176.292 175.800 -0.254 0.000 1.195 369 F CA -0.351 57.477 58.000 -0.288 0.000 1.300 369 F CB -0.058 38.746 39.000 -0.327 0.000 1.616 369 F HN 0.008 nan 8.300 nan 0.000 0.592 370 K N -0.102 120.180 120.400 -0.197 0.000 2.126 370 K HA 0.223 4.541 4.320 -0.003 0.000 0.257 370 K C 1.429 177.824 176.600 -0.342 0.000 1.007 370 K CA -0.120 56.090 56.287 -0.128 0.000 0.928 370 K CB 0.810 33.316 32.500 0.010 0.000 1.013 370 K HN 0.219 nan 8.250 nan 0.000 0.473 371 T N 2.454 116.913 114.554 -0.158 0.000 2.649 371 T HA -0.153 4.195 4.350 -0.003 0.000 0.268 371 T C -1.092 173.344 174.700 -0.440 0.000 1.036 371 T CA 1.809 63.690 62.100 -0.366 0.000 1.157 371 T CB -0.834 67.819 68.868 -0.358 0.000 0.861 371 T HN 0.481 nan 8.240 nan 0.000 0.445 372 P HA -0.017 nan 4.420 nan 0.000 0.218 372 P C 1.539 178.472 177.300 -0.611 0.000 1.149 372 P CA 0.807 63.680 63.100 -0.378 0.000 0.817 372 P CB -0.075 31.297 31.700 -0.547 0.000 0.785 373 M N -1.004 118.027 119.600 -0.948 0.000 2.132 373 M HA -0.068 4.410 4.480 -0.003 0.000 0.263 373 M C 1.810 177.817 176.300 -0.489 0.000 1.065 373 M CA 1.660 56.542 55.300 -0.695 0.000 1.122 373 M CB -1.395 30.754 32.600 -0.751 0.000 1.365 373 M HN -0.200 nan 8.290 nan 0.000 0.411 374 L N -1.568 119.206 121.223 -0.748 0.000 1.997 374 L HA -0.284 4.054 4.340 -0.003 0.000 0.216 374 L C 2.274 178.531 176.870 -1.022 0.000 1.074 374 L CA 1.957 56.045 54.840 -1.254 0.000 0.763 374 L CB -1.146 39.681 42.059 -2.052 0.000 0.890 374 L HN 0.422 nan 8.230 nan 0.000 0.434 375 W N -0.311 120.684 121.300 -0.508 0.000 2.335 375 W HA -0.196 4.463 4.660 -0.003 0.000 0.311 375 W C 2.762 179.336 176.519 0.090 0.000 1.213 375 W CA 0.966 58.261 57.345 -0.085 0.000 1.274 375 W CB -0.491 28.888 29.460 -0.135 0.000 1.148 375 W HN 0.121 nan 8.180 nan 0.000 0.498 376 A N -0.747 122.127 122.820 0.090 0.000 1.969 376 A HA -0.150 4.168 4.320 -0.003 0.000 0.218 376 A C 1.731 179.404 177.584 0.150 0.000 1.169 376 A CA 1.212 53.253 52.037 0.007 0.000 0.635 376 A CB -1.030 17.852 19.000 -0.197 0.000 0.810 376 A HN 0.265 nan 8.150 nan 0.000 0.445 377 F N 0.426 120.351 119.950 -0.041 0.000 2.084 377 F HA 0.035 4.560 4.527 -0.003 0.000 0.296 377 F C 2.632 178.541 175.800 0.181 0.000 1.111 377 F CA 1.210 59.225 58.000 0.025 0.000 1.224 377 F CB -0.962 37.995 39.000 -0.072 0.000 0.991 377 F HN 0.258 nan 8.300 nan 0.000 0.471 378 G N -0.671 108.392 108.800 0.438 0.000 2.476 378 G HA2 -0.368 3.590 3.960 -0.003 0.000 0.218 378 G HA3 -0.368 3.590 3.960 -0.003 0.000 0.218 378 G C 1.733 176.945 174.900 0.521 0.000 1.164 378 G CA 0.958 46.433 45.100 0.625 0.000 0.768 378 G HN 0.382 nan 8.290 nan 0.000 0.560 379 F N 0.795 120.983 119.950 0.397 0.000 2.091 379 F HA -0.128 4.398 4.527 -0.003 0.000 0.299 379 F C 2.349 178.240 175.800 0.151 0.000 1.103 379 F CA 1.319 59.447 58.000 0.212 0.000 1.228 379 F CB -0.305 38.788 39.000 0.155 0.000 0.984 379 F HN 0.079 nan 8.300 nan 0.000 0.477 380 L N -0.414 120.999 121.223 0.317 0.000 2.012 380 L HA -0.225 4.113 4.340 -0.003 0.000 0.210 380 L C 2.246 179.228 176.870 0.187 0.000 1.073 380 L CA 1.822 56.776 54.840 0.190 0.000 0.748 380 L CB -1.572 40.520 42.059 0.055 0.000 0.891 380 L HN 0.330 nan 8.230 nan 0.000 0.431 381 F N -0.224 119.759 119.950 0.055 0.000 2.053 381 F HA -0.150 4.375 4.527 -0.004 0.000 0.292 381 F C 2.261 178.084 175.800 0.038 0.000 1.125 381 F CA 1.479 59.517 58.000 0.064 0.000 1.193 381 F CB -0.746 38.343 39.000 0.148 0.000 0.996 381 F HN -0.048 nan 8.300 nan 0.000 0.470 382 L N -0.814 120.314 121.223 -0.158 0.000 2.129 382 L HA -0.247 4.091 4.340 -0.003 0.000 0.212 382 L C 2.512 179.241 176.870 -0.235 0.000 1.087 382 L CA 1.564 56.231 54.840 -0.288 0.000 0.757 382 L CB -1.011 40.865 42.059 -0.306 0.000 0.896 382 L HN 0.233 nan 8.230 nan 0.000 0.434 383 F N 0.866 120.555 119.950 -0.436 0.000 2.206 383 F HA -0.164 4.361 4.527 -0.003 0.000 0.298 383 F C 2.436 178.075 175.800 -0.268 0.000 1.090 383 F CA 1.711 59.428 58.000 -0.471 0.000 1.323 383 F CB -0.275 38.229 39.000 -0.825 0.000 1.028 383 F HN -0.083 nan 8.300 nan 0.000 0.492 384 T N -0.021 114.438 114.554 -0.159 0.000 2.737 384 T HA -0.151 4.197 4.350 -0.003 0.000 0.265 384 T C 2.218 176.738 174.700 -0.300 0.000 1.038 384 T CA 1.585 63.575 62.100 -0.183 0.000 1.144 384 T CB -0.737 68.118 68.868 -0.023 0.000 0.866 384 T HN 0.095 nan 8.240 nan 0.000 0.434 385 V N 1.548 121.231 119.914 -0.385 0.000 2.252 385 V HA -0.194 3.924 4.120 -0.003 0.000 0.249 385 V C 2.852 178.656 176.094 -0.483 0.000 1.056 385 V CA 2.204 64.208 62.300 -0.493 0.000 1.022 385 V CB -1.361 29.988 31.823 -0.789 0.000 0.641 385 V HN 0.632 nan 8.190 nan 0.000 0.445 386 G N -0.524 108.002 108.800 -0.456 0.000 2.418 386 G HA2 -0.131 3.827 3.960 -0.003 0.000 0.217 386 G HA3 -0.131 3.827 3.960 -0.003 0.000 0.217 386 G C 1.593 176.311 174.900 -0.305 0.000 1.158 386 G CA 0.882 45.768 45.100 -0.356 0.000 0.771 386 G HN 0.612 nan 8.290 nan 0.000 0.545 387 G N -0.086 108.416 108.800 -0.497 0.000 2.421 387 G HA2 -0.057 3.901 3.960 -0.003 0.000 0.217 387 G HA3 -0.057 3.901 3.960 -0.003 0.000 0.217 387 G C 1.686 176.471 174.900 -0.192 0.000 1.143 387 G CA 0.897 45.758 45.100 -0.398 0.000 0.784 387 G HN 0.314 nan 8.290 nan 0.000 0.541 388 V N 0.697 120.489 119.914 -0.204 0.000 2.427 388 V HA -0.127 3.991 4.120 -0.003 0.000 0.248 388 V C 3.108 179.130 176.094 -0.119 0.000 1.051 388 V CA 2.457 64.676 62.300 -0.136 0.000 1.048 388 V CB -0.383 31.360 31.823 -0.134 0.000 0.666 388 V HN 0.382 nan 8.190 nan 0.000 0.456 389 T N -0.192 114.277 114.554 -0.143 0.000 2.788 389 T HA -0.100 4.248 4.350 -0.003 0.000 0.268 389 T C 1.732 176.310 174.700 -0.203 0.000 1.044 389 T CA 1.362 63.377 62.100 -0.142 0.000 1.139 389 T CB -0.544 68.202 68.868 -0.203 0.000 0.867 389 T HN 0.635 nan 8.240 nan 0.000 0.454 390 G N 0.804 109.472 108.800 -0.220 0.000 2.448 390 G HA2 -0.150 3.808 3.960 -0.003 0.000 0.219 390 G HA3 -0.150 3.808 3.960 -0.003 0.000 0.219 390 G C 1.625 176.382 174.900 -0.238 0.000 1.127 390 G CA 0.759 45.577 45.100 -0.470 0.000 0.766 390 G HN 0.455 nan 8.290 nan 0.000 0.552 391 V N 0.339 120.180 119.914 -0.122 0.000 2.453 391 V HA -0.123 3.995 4.120 -0.003 0.000 0.247 391 V C 2.937 178.996 176.094 -0.059 0.000 1.048 391 V CA 1.103 63.363 62.300 -0.065 0.000 1.049 391 V CB -0.128 31.670 31.823 -0.041 0.000 0.672 391 V HN 0.243 nan 8.190 nan 0.000 0.457 392 V N 0.127 120.004 119.914 -0.062 0.000 2.287 392 V HA -0.268 3.850 4.120 -0.003 0.000 0.248 392 V C 2.302 178.384 176.094 -0.021 0.000 1.053 392 V CA 2.143 64.429 62.300 -0.023 0.000 1.027 392 V CB -0.502 31.324 31.823 0.004 0.000 0.646 392 V HN 0.460 nan 8.190 nan 0.000 0.447 393 L N 0.829 122.001 121.223 -0.084 0.000 2.201 393 L HA -0.125 4.213 4.340 -0.003 0.000 0.212 393 L C 2.608 179.471 176.870 -0.012 0.000 1.105 393 L CA 1.537 56.331 54.840 -0.076 0.000 0.775 393 L CB -0.743 41.161 42.059 -0.258 0.000 0.913 393 L HN 0.553 nan 8.230 nan 0.000 0.440 394 S N -1.382 114.294 115.700 -0.041 0.000 2.469 394 S HA -0.119 4.349 4.470 -0.003 0.000 0.238 394 S C 1.054 175.702 174.600 0.080 0.000 0.998 394 S CA 0.466 58.701 58.200 0.058 0.000 0.957 394 S CB -0.256 62.962 63.200 0.029 0.000 0.764 394 S HN 0.322 nan 8.310 nan 0.000 0.514 395 Q N 1.226 121.025 119.800 -0.001 0.000 2.361 395 Q HA 0.551 4.889 4.340 -0.003 0.000 0.250 395 Q C 1.255 177.138 176.000 -0.194 0.000 1.023 395 Q CA 0.344 56.097 55.803 -0.085 0.000 0.915 395 Q CB 0.878 29.584 28.738 -0.052 0.000 1.238 395 Q HN 0.411 nan 8.270 nan 0.000 0.451 396 A N 6.207 128.742 122.820 -0.473 0.000 1.884 396 A HA -0.185 4.133 4.320 -0.003 0.000 0.219 396 A C -0.524 176.853 177.584 -0.344 0.000 1.197 396 A CA 1.665 53.243 52.037 -0.766 0.000 0.637 396 A CB -1.371 17.118 19.000 -0.851 0.000 0.827 396 A HN 0.520 nan 8.150 nan 0.000 0.450 397 P HA -0.105 nan 4.420 nan 0.000 0.219 397 P C 1.228 178.447 177.300 -0.134 0.000 1.146 397 P CA 0.911 63.918 63.100 -0.154 0.000 0.808 397 P CB -0.069 31.557 31.700 -0.123 0.000 0.779 398 L N -1.531 119.630 121.223 -0.104 0.000 2.249 398 L HA -0.002 4.336 4.340 -0.003 0.000 0.207 398 L C 2.098 178.972 176.870 0.007 0.000 1.090 398 L CA 0.985 55.781 54.840 -0.074 0.000 0.802 398 L CB -0.734 41.355 42.059 0.049 0.000 0.947 398 L HN -0.088 nan 8.230 nan 0.000 0.453 399 D N 0.417 120.860 120.400 0.071 0.000 2.219 399 D HA -0.196 4.442 4.640 -0.003 0.000 0.205 399 D C 2.187 178.557 176.300 0.117 0.000 0.970 399 D CA 0.655 54.768 54.000 0.188 0.000 0.851 399 D CB 0.197 41.179 40.800 0.304 0.000 0.943 399 D HN -0.094 nan 8.370 nan 0.000 0.488 400 R N -0.291 120.206 120.500 -0.004 0.000 2.133 400 R HA -0.108 4.230 4.340 -0.003 0.000 0.247 400 R C 1.790 178.067 176.300 -0.038 0.000 1.151 400 R CA 1.393 57.476 56.100 -0.027 0.000 0.971 400 R CB -0.600 29.653 30.300 -0.080 0.000 0.866 400 R HN 0.176 nan 8.270 nan 0.000 0.447 401 V N -0.860 118.974 119.914 -0.134 0.000 3.174 401 V HA -0.020 4.098 4.120 -0.003 0.000 0.254 401 V C 1.091 177.076 176.094 -0.182 0.000 1.120 401 V CA 0.809 62.983 62.300 -0.210 0.000 1.114 401 V CB -0.305 31.291 31.823 -0.379 0.000 0.756 401 V HN 0.238 nan 8.190 nan 0.000 0.467 402 Y N -0.747 119.526 120.300 -0.044 0.000 2.397 402 Y HA 0.198 4.745 4.550 -0.004 0.000 0.292 402 Y C 1.464 177.381 175.900 0.029 0.000 1.115 402 Y CA -0.583 57.489 58.100 -0.046 0.000 1.208 402 Y CB -0.650 37.741 38.460 -0.115 0.000 1.046 402 Y HN 0.329 nan 8.280 nan 0.000 0.552 403 H N 1.224 120.377 119.070 0.137 0.000 3.064 403 H HA -0.024 4.530 4.556 -0.003 0.000 0.329 403 H C 0.189 175.552 175.328 0.058 0.000 1.020 403 H CA 0.662 56.755 56.048 0.076 0.000 1.402 403 H CB 0.073 29.867 29.762 0.053 0.000 1.379 403 H HN 0.219 nan 8.280 nan 0.000 0.594 404 D N 1.483 121.723 120.400 -0.267 0.000 2.837 404 D HA -0.200 4.438 4.640 -0.003 0.000 0.230 404 D C -0.458 175.829 176.300 -0.022 0.000 1.152 404 D CA 1.628 55.581 54.000 -0.078 0.000 0.736 404 D CB -0.734 40.155 40.800 0.148 0.000 1.084 404 D HN 0.756 nan 8.370 nan 0.000 0.429 405 T N -4.964 109.583 114.554 -0.011 0.000 2.907 405 T HA 0.472 4.820 4.350 -0.003 0.000 0.290 405 T C 0.784 175.487 174.700 0.005 0.000 1.066 405 T CA -0.816 61.296 62.100 0.020 0.000 1.012 405 T CB 0.940 69.869 68.868 0.102 0.000 1.184 405 T HN -0.079 nan 8.240 nan 0.000 0.522 406 Y N -0.190 120.043 120.300 -0.112 0.000 2.680 406 Y HA 0.069 4.617 4.550 -0.004 0.000 0.303 406 Y C 1.880 177.677 175.900 -0.173 0.000 1.166 406 Y CA 0.453 58.463 58.100 -0.151 0.000 1.344 406 Y CB -0.599 37.736 38.460 -0.209 0.000 1.002 406 Y HN 0.828 nan 8.280 nan 0.000 0.537 407 Y N -0.645 119.597 120.300 -0.097 0.000 2.133 407 Y HA -0.227 4.321 4.550 -0.004 0.000 0.287 407 Y C 2.568 178.277 175.900 -0.317 0.000 1.134 407 Y CA 1.783 59.745 58.100 -0.230 0.000 1.133 407 Y CB -0.632 37.703 38.460 -0.209 0.000 0.987 407 Y HN -0.033 nan 8.280 nan 0.000 0.502 408 V N -0.587 119.263 119.914 -0.106 0.000 2.594 408 V HA -0.179 3.939 4.120 -0.003 0.000 0.253 408 V C 1.912 177.749 176.094 -0.428 0.000 1.069 408 V CA 1.991 64.183 62.300 -0.181 0.000 1.082 408 V CB -0.779 31.006 31.823 -0.062 0.000 0.680 408 V HN 0.333 nan 8.190 nan 0.000 0.469 409 V N 0.872 120.473 119.914 -0.522 0.000 2.427 409 V HA -0.145 3.973 4.120 -0.003 0.000 0.248 409 V C 2.973 178.562 176.094 -0.842 0.000 1.051 409 V CA 2.079 63.835 62.300 -0.908 0.000 1.048 409 V CB -1.190 30.253 31.823 -0.634 0.000 0.666 409 V HN 0.692 nan 8.190 nan 0.000 0.456 410 A N -0.420 122.040 122.820 -0.601 0.000 1.969 410 A HA -0.248 4.070 4.320 -0.003 0.000 0.218 410 A C 2.059 179.327 177.584 -0.527 0.000 1.169 410 A CA 2.014 53.702 52.037 -0.582 0.000 0.635 410 A CB -0.734 17.635 19.000 -1.052 0.000 0.810 410 A HN 0.783 nan 8.150 nan 0.000 0.445 411 H N 0.336 119.003 119.070 -0.672 0.000 2.253 411 H HA -0.200 4.354 4.556 -0.003 0.000 0.296 411 H C 1.659 176.784 175.328 -0.337 0.000 1.074 411 H CA 2.505 58.271 56.048 -0.471 0.000 1.263 411 H CB -0.772 28.729 29.762 -0.436 0.000 1.363 411 H HN 0.568 nan 8.280 nan 0.000 0.489 412 F N -0.780 118.798 119.950 -0.621 0.000 2.408 412 F HA 0.024 4.549 4.527 -0.003 0.000 0.300 412 F C 1.664 177.023 175.800 -0.735 0.000 1.090 412 F CA 1.168 58.731 58.000 -0.728 0.000 1.427 412 F CB -1.124 37.610 39.000 -0.444 0.000 1.070 412 F HN 0.229 nan 8.300 nan 0.000 0.549 413 H N -1.893 116.762 119.070 -0.692 0.000 2.482 413 H HA 0.029 4.583 4.556 -0.003 0.000 0.286 413 H C 1.560 176.367 175.328 -0.867 0.000 1.017 413 H CA 1.678 57.173 56.048 -0.921 0.000 1.322 413 H CB -0.437 28.150 29.762 -1.958 0.000 1.426 413 H HN 0.260 nan 8.280 nan 0.000 0.546 414 Y N 0.251 120.190 120.300 -0.602 0.000 2.163 414 Y HA -0.219 4.330 4.550 -0.002 0.000 0.288 414 Y C 2.537 178.163 175.900 -0.456 0.000 1.136 414 Y CA 1.519 59.327 58.100 -0.486 0.000 1.147 414 Y CB -0.252 37.953 38.460 -0.425 0.000 0.987 414 Y HN 0.150 nan 8.280 nan 0.000 0.509 415 V N -2.959 116.737 119.914 -0.363 0.000 2.667 415 V HA -0.192 3.926 4.120 -0.003 0.000 0.252 415 V C 1.635 177.627 176.094 -0.169 0.000 1.065 415 V CA 1.668 63.802 62.300 -0.276 0.000 1.083 415 V CB -0.450 31.149 31.823 -0.372 0.000 0.692 415 V HN 0.368 nan 8.190 nan 0.000 0.468 416 M N 0.086 119.523 119.600 -0.273 0.000 2.940 416 M HA 0.127 4.605 4.480 -0.003 0.000 0.248 416 M C 2.422 178.615 176.300 -0.178 0.000 1.379 416 M CA 1.289 56.452 55.300 -0.228 0.000 1.262 416 M CB -0.220 32.183 32.600 -0.327 0.000 1.201 416 M HN 0.286 nan 8.290 nan 0.000 0.553 417 S N 0.406 115.947 115.700 -0.265 0.000 2.453 417 S HA 0.033 4.501 4.470 -0.003 0.000 0.231 417 S C 1.426 176.011 174.600 -0.026 0.000 1.005 417 S CA 0.983 59.108 58.200 -0.125 0.000 0.949 417 S CB 0.098 63.196 63.200 -0.171 0.000 0.774 417 S HN 0.233 nan 8.310 nan 0.000 0.510 418 L N -0.228 120.831 121.223 -0.274 0.000 2.817 418 L HA 0.455 4.793 4.340 -0.003 0.000 0.248 418 L C 1.612 178.110 176.870 -0.620 0.000 1.133 418 L CA 0.534 55.012 54.840 -0.603 0.000 0.935 418 L CB 0.255 41.845 42.059 -0.782 0.000 1.266 418 L HN 0.298 nan 8.230 nan 0.000 0.535 419 G N -1.276 107.423 108.800 -0.169 0.000 2.529 419 G HA2 0.237 4.195 3.960 -0.003 0.000 0.220 419 G HA3 0.237 4.195 3.960 -0.003 0.000 0.220 419 G C 1.501 176.654 174.900 0.422 0.000 1.976 419 G CA 0.503 45.625 45.100 0.038 0.000 0.789 419 G HN 0.155 nan 8.290 nan 0.000 0.695 420 A N -0.042 122.941 122.820 0.272 0.000 1.915 420 A HA -0.083 4.236 4.320 -0.003 0.000 0.220 420 A C 2.558 180.243 177.584 0.168 0.000 1.198 420 A CA 2.450 54.603 52.037 0.193 0.000 0.647 420 A CB -1.008 18.007 19.000 0.025 0.000 0.825 420 A HN 0.421 nan 8.150 nan 0.000 0.456 421 V N -1.397 118.615 119.914 0.163 0.000 2.392 421 V HA -0.246 3.872 4.120 -0.003 0.000 0.249 421 V C 2.306 178.531 176.094 0.217 0.000 1.059 421 V CA 2.099 64.456 62.300 0.096 0.000 1.051 421 V CB -0.906 31.007 31.823 0.150 0.000 0.658 421 V HN 0.560 nan 8.190 nan 0.000 0.455 422 F N 1.245 121.334 119.950 0.231 0.000 2.186 422 F HA 0.001 4.527 4.527 -0.003 0.000 0.299 422 F C 2.355 178.268 175.800 0.189 0.000 1.090 422 F CA 1.151 59.389 58.000 0.397 0.000 1.307 422 F CB -1.361 37.992 39.000 0.589 0.000 1.019 422 F HN 0.200 nan 8.300 nan 0.000 0.489 423 G N 0.005 108.970 108.800 0.274 0.000 2.422 423 G HA2 -0.203 3.755 3.960 -0.003 0.000 0.218 423 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.218 423 G C 1.868 176.694 174.900 -0.125 0.000 1.146 423 G CA 0.853 45.917 45.100 -0.059 0.000 0.769 423 G HN 0.349 nan 8.290 nan 0.000 0.547 424 I N -0.347 120.174 120.570 -0.081 0.000 2.202 424 I HA -0.083 4.085 4.170 -0.003 0.000 0.242 424 I C 2.342 178.331 176.117 -0.213 0.000 1.091 424 I CA 0.804 62.056 61.300 -0.081 0.000 1.368 424 I CB -0.221 37.679 38.000 -0.168 0.000 1.058 424 I HN 0.046 nan 8.210 nan 0.000 0.410 425 F N 0.991 120.701 119.950 -0.399 0.000 2.269 425 F HA -0.165 4.360 4.527 -0.003 0.000 0.301 425 F C 2.468 177.903 175.800 -0.609 0.000 1.082 425 F CA 1.034 58.572 58.000 -0.770 0.000 1.360 425 F CB -0.968 36.902 39.000 -1.882 0.000 1.041 425 F HN 0.016 nan 8.300 nan 0.000 0.512 426 A N 0.297 122.964 122.820 -0.256 0.000 1.832 426 A HA -0.033 4.285 4.320 -0.003 0.000 0.214 426 A C 2.657 180.114 177.584 -0.212 0.000 1.200 426 A CA 1.743 53.690 52.037 -0.151 0.000 0.610 426 A CB -1.578 17.303 19.000 -0.199 0.000 0.842 426 A HN 0.365 nan 8.150 nan 0.000 0.444 427 G N -0.611 107.921 108.800 -0.447 0.000 2.469 427 G HA2 -0.166 3.792 3.960 -0.003 0.000 0.220 427 G HA3 -0.166 3.792 3.960 -0.003 0.000 0.220 427 G C 1.518 176.342 174.900 -0.128 0.000 1.136 427 G CA 1.413 46.079 45.100 -0.723 0.000 0.759 427 G HN 0.326 nan 8.290 nan 0.000 0.562 428 V N -0.320 119.680 119.914 0.142 0.000 2.261 428 V HA -0.192 3.926 4.120 -0.003 0.000 0.246 428 V C 2.393 178.635 176.094 0.245 0.000 1.047 428 V CA 1.735 64.243 62.300 0.347 0.000 1.015 428 V CB -0.722 31.221 31.823 0.200 0.000 0.642 428 V HN 0.436 nan 8.190 nan 0.000 0.446 429 Y N -1.447 118.969 120.300 0.194 0.000 2.274 429 Y HA -0.227 4.321 4.550 -0.003 0.000 0.290 429 Y C 2.337 178.618 175.900 0.636 0.000 1.145 429 Y CA 1.984 60.227 58.100 0.239 0.000 1.203 429 Y CB -0.519 37.958 38.460 0.027 0.000 0.984 429 Y HN 0.334 nan 8.280 nan 0.000 0.533 430 Y N -1.016 119.551 120.300 0.445 0.000 2.109 430 Y HA -0.236 4.312 4.550 -0.003 0.000 0.285 430 Y C 1.490 177.880 175.900 0.816 0.000 1.131 430 Y CA 1.466 59.846 58.100 0.466 0.000 1.121 430 Y CB -0.578 37.722 38.460 -0.266 0.000 0.987 430 Y HN 0.054 nan 8.280 nan 0.000 0.495 431 W N 0.408 122.004 121.300 0.493 0.000 3.353 431 W HA 0.124 4.782 4.660 -0.003 0.000 0.304 431 W C 1.976 178.688 176.519 0.321 0.000 1.273 431 W CA -0.274 57.255 57.345 0.307 0.000 1.773 431 W CB -0.656 28.855 29.460 0.085 0.000 1.095 431 W HN 0.242 nan 8.180 nan 0.000 0.676 432 I N 0.572 121.465 120.570 0.539 0.000 2.113 432 I HA -0.188 3.980 4.170 -0.003 0.000 0.238 432 I C 2.412 178.628 176.117 0.165 0.000 1.070 432 I CA 2.214 63.683 61.300 0.282 0.000 1.332 432 I CB -0.705 37.408 38.000 0.189 0.000 1.044 432 I HN -0.042 nan 8.210 nan 0.000 0.402 433 G N 0.642 109.508 108.800 0.109 0.000 2.475 433 G HA2 -0.367 3.591 3.960 -0.003 0.000 0.220 433 G HA3 -0.367 3.591 3.960 -0.003 0.000 0.220 433 G C 1.626 176.443 174.900 -0.138 0.000 1.125 433 G CA 1.245 46.186 45.100 -0.266 0.000 0.755 433 G HN 0.326 nan 8.290 nan 0.000 0.565 434 K N 0.402 120.928 120.400 0.211 0.000 2.057 434 K HA 0.098 4.416 4.320 -0.003 0.000 0.206 434 K C 2.447 179.089 176.600 0.071 0.000 1.050 434 K CA 1.251 57.669 56.287 0.219 0.000 0.935 434 K CB -0.414 32.219 32.500 0.222 0.000 0.715 434 K HN 0.348 nan 8.250 nan 0.000 0.439 435 M N 0.108 119.727 119.600 0.031 0.000 2.200 435 M HA -0.068 4.410 4.480 -0.003 0.000 0.265 435 M C 2.080 178.378 176.300 -0.003 0.000 1.066 435 M CA 1.785 57.032 55.300 -0.088 0.000 1.127 435 M CB -0.124 32.310 32.600 -0.277 0.000 1.379 435 M HN 0.330 nan 8.290 nan 0.000 0.420 436 S N -1.339 114.354 115.700 -0.012 0.000 2.468 436 S HA 0.304 4.772 4.470 -0.003 0.000 0.226 436 S C 1.651 176.234 174.600 -0.029 0.000 1.051 436 S CA 0.587 58.778 58.200 -0.015 0.000 0.943 436 S CB 0.457 63.632 63.200 -0.042 0.000 0.810 436 S HN 0.585 nan 8.310 nan 0.000 0.509 437 G N 1.453 110.213 108.800 -0.066 0.000 2.194 437 G HA2 -0.162 3.796 3.960 -0.003 0.000 0.236 437 G HA3 -0.162 3.796 3.960 -0.003 0.000 0.236 437 G C 0.018 174.839 174.900 -0.133 0.000 0.987 437 G CA -0.128 44.919 45.100 -0.089 0.000 0.635 437 G HN 0.559 nan 8.290 nan 0.000 0.520 438 R N -0.065 120.356 120.500 -0.131 0.000 2.732 438 R HA 0.753 5.091 4.340 -0.003 0.000 0.278 438 R C -0.428 175.764 176.300 -0.180 0.000 0.976 438 R CA -0.921 55.099 56.100 -0.134 0.000 0.963 438 R CB 1.362 31.607 30.300 -0.091 0.000 1.150 438 R HN 0.300 nan 8.270 nan 0.000 0.478 439 Q N 1.332 121.021 119.800 -0.184 0.000 2.274 439 Q HA 0.264 4.602 4.340 -0.003 0.000 0.260 439 Q C -1.223 174.729 176.000 -0.080 0.000 0.974 439 Q CA -0.795 54.872 55.803 -0.227 0.000 0.876 439 Q CB 0.980 29.511 28.738 -0.344 0.000 1.297 439 Q HN 0.469 nan 8.270 nan 0.000 0.446 440 Y N 2.426 122.765 120.300 0.066 0.000 2.379 440 Y HA 0.599 5.147 4.550 -0.003 0.000 0.337 440 Y C -2.232 173.757 175.900 0.150 0.000 1.238 440 Y CA -2.718 55.452 58.100 0.117 0.000 1.405 440 Y CB -0.288 38.271 38.460 0.166 0.000 1.310 440 Y HN 0.477 nan 8.280 nan 0.000 0.569 441 P HA 0.036 nan 4.420 nan 0.000 0.276 441 P C -0.112 177.372 177.300 0.308 0.000 1.243 441 P CA -0.017 63.178 63.100 0.159 0.000 0.768 441 P CB 1.796 33.448 31.700 -0.081 0.000 0.856 442 E N 5.194 125.562 120.200 0.279 0.000 2.058 442 E HA -0.180 4.168 4.350 -0.003 0.000 0.194 442 E C 1.732 178.553 176.600 0.369 0.000 0.997 442 E CA 1.741 58.395 56.400 0.423 0.000 0.801 442 E CB -0.751 29.135 29.700 0.309 0.000 0.746 442 E HN 0.625 nan 8.360 nan 0.000 0.450 443 W N 0.499 121.948 121.300 0.249 0.000 2.333 443 W HA -0.161 4.496 4.660 -0.004 0.000 0.316 443 W C 1.901 178.589 176.519 0.282 0.000 1.215 443 W CA 1.365 58.841 57.345 0.220 0.000 1.278 443 W CB -1.275 28.284 29.460 0.165 0.000 1.154 443 W HN 0.155 nan 8.180 nan 0.000 0.486 444 A N 1.962 124.335 122.820 -0.745 0.000 1.933 444 A HA -0.009 4.310 4.320 -0.003 0.000 0.218 444 A C 2.414 179.989 177.584 -0.015 0.000 1.175 444 A CA 2.452 54.100 52.037 -0.648 0.000 0.628 444 A CB -1.583 16.717 19.000 -1.168 0.000 0.814 444 A HN 0.461 nan 8.150 nan 0.000 0.444 445 G N -1.067 107.765 108.800 0.054 0.000 2.432 445 G HA2 -0.178 3.780 3.960 -0.003 0.000 0.219 445 G HA3 -0.178 3.780 3.960 -0.003 0.000 0.219 445 G C 1.611 176.485 174.900 -0.044 0.000 1.135 445 G CA 0.922 46.032 45.100 0.015 0.000 0.767 445 G HN 0.641 nan 8.290 nan 0.000 0.550 446 Q N -0.789 119.071 119.800 0.100 0.000 2.089 446 Q HA 0.086 4.424 4.340 -0.003 0.000 0.195 446 Q C 2.487 178.650 176.000 0.271 0.000 0.963 446 Q CA 0.661 56.527 55.803 0.104 0.000 0.834 446 Q CB -0.267 28.597 28.738 0.210 0.000 0.906 446 Q HN 0.399 nan 8.270 nan 0.000 0.452 447 L N 0.921 122.381 121.223 0.396 0.000 2.042 447 L HA -0.247 4.091 4.340 -0.003 0.000 0.210 447 L C 2.398 179.509 176.870 0.402 0.000 1.076 447 L CA 1.986 57.079 54.840 0.421 0.000 0.749 447 L CB -0.799 41.516 42.059 0.426 0.000 0.893 447 L HN 0.345 nan 8.230 nan 0.000 0.432 448 H N -1.644 117.697 119.070 0.451 0.000 2.353 448 H HA -0.287 4.268 4.556 -0.003 0.000 0.298 448 H C 2.140 177.540 175.328 0.121 0.000 1.103 448 H CA 2.125 58.426 56.048 0.421 0.000 1.293 448 H CB -0.234 29.775 29.762 0.412 0.000 1.372 448 H HN 0.490 nan 8.280 nan 0.000 0.501 449 F N 0.482 120.174 119.950 -0.430 0.000 2.051 449 F HA -0.209 4.315 4.527 -0.004 0.000 0.296 449 F C 2.008 177.375 175.800 -0.722 0.000 1.122 449 F CA 1.858 59.174 58.000 -1.141 0.000 1.201 449 F CB -0.898 37.140 39.000 -1.603 0.000 0.978 449 F HN 0.151 nan 8.300 nan 0.000 0.472 450 W N 0.540 121.668 121.300 -0.287 0.000 2.335 450 W HA -0.262 4.395 4.660 -0.004 0.000 0.311 450 W C 2.634 179.060 176.519 -0.155 0.000 1.213 450 W CA 1.639 58.847 57.345 -0.228 0.000 1.274 450 W CB -0.640 28.814 29.460 -0.010 0.000 1.148 450 W HN 0.041 nan 8.180 nan 0.000 0.498 451 M N -0.972 118.701 119.600 0.122 0.000 2.082 451 M HA -0.296 4.183 4.480 -0.003 0.000 0.258 451 M C 2.267 178.591 176.300 0.040 0.000 1.069 451 M CA 1.914 57.274 55.300 0.101 0.000 1.102 451 M CB -0.795 31.877 32.600 0.119 0.000 1.336 451 M HN 0.091 nan 8.290 nan 0.000 0.404 452 M N 0.032 119.589 119.600 -0.073 0.000 2.117 452 M HA -0.185 4.293 4.480 -0.003 0.000 0.262 452 M C 1.844 178.126 176.300 -0.031 0.000 1.065 452 M CA 1.793 57.054 55.300 -0.065 0.000 1.114 452 M CB -0.605 31.861 32.600 -0.224 0.000 1.361 452 M HN 0.188 nan 8.290 nan 0.000 0.408 453 F N 0.170 119.887 119.950 -0.389 0.000 2.051 453 F HA -0.195 4.330 4.527 -0.004 0.000 0.296 453 F C 1.704 177.475 175.800 -0.048 0.000 1.122 453 F CA 1.784 59.617 58.000 -0.278 0.000 1.201 453 F CB -0.580 37.995 39.000 -0.708 0.000 0.978 453 F HN 0.159 nan 8.300 nan 0.000 0.472 454 I N 0.988 121.612 120.570 0.091 0.000 2.052 454 I HA -0.232 3.936 4.170 -0.003 0.000 0.235 454 I C 2.935 179.026 176.117 -0.043 0.000 1.046 454 I CA 1.924 63.256 61.300 0.052 0.000 1.308 454 I CB -1.658 36.431 38.000 0.148 0.000 1.031 454 I HN 0.269 nan 8.210 nan 0.000 0.395 455 G N -0.659 108.141 108.800 0.000 0.000 2.599 455 G HA2 -0.322 3.636 3.960 -0.003 0.000 0.219 455 G HA3 -0.322 3.636 3.960 -0.003 0.000 0.219 455 G C 1.817 176.672 174.900 -0.075 0.000 1.193 455 G CA 1.465 46.556 45.100 -0.015 0.000 0.778 455 G HN 0.425 nan 8.290 nan 0.000 0.589 456 S N 0.829 116.505 115.700 -0.040 0.000 2.372 456 S HA -0.182 4.286 4.470 -0.003 0.000 0.227 456 S C 2.302 176.821 174.600 -0.135 0.000 1.044 456 S CA 1.409 59.593 58.200 -0.025 0.000 1.050 456 S CB -0.356 62.876 63.200 0.054 0.000 0.901 456 S HN 0.466 nan 8.310 nan 0.000 0.447 457 N N 1.154 119.728 118.700 -0.211 0.000 2.188 457 N HA 0.044 4.782 4.740 -0.003 0.000 0.184 457 N C 1.687 177.159 175.510 -0.063 0.000 1.018 457 N CA 0.717 53.682 53.050 -0.141 0.000 0.858 457 N CB -0.373 37.966 38.487 -0.246 0.000 0.989 457 N HN 0.353 nan 8.380 nan 0.000 0.426 458 L N 0.765 121.925 121.223 -0.105 0.000 2.131 458 L HA -0.085 4.253 4.340 -0.003 0.000 0.210 458 L C 2.095 178.849 176.870 -0.194 0.000 1.092 458 L CA 0.758 55.545 54.840 -0.088 0.000 0.759 458 L CB -0.229 41.785 42.059 -0.075 0.000 0.903 458 L HN 0.118 nan 8.230 nan 0.000 0.435 459 I N -1.355 119.003 120.570 -0.354 0.000 2.206 459 I HA -0.230 3.938 4.170 -0.003 0.000 0.239 459 I C 1.998 177.669 176.117 -0.743 0.000 1.078 459 I CA 1.399 62.298 61.300 -0.668 0.000 1.367 459 I CB -0.194 37.111 38.000 -1.158 0.000 1.078 459 I HN 0.052 nan 8.210 nan 0.000 0.413 460 F N -0.723 119.080 119.950 -0.245 0.000 2.530 460 F HA 0.029 4.554 4.527 -0.004 0.000 0.292 460 F C 2.073 177.764 175.800 -0.182 0.000 1.109 460 F CA 0.334 58.165 58.000 -0.283 0.000 1.450 460 F CB -0.699 38.053 39.000 -0.414 0.000 1.114 460 F HN -0.090 nan 8.300 nan 0.000 0.560 461 F N 2.264 122.228 119.950 0.022 0.000 2.102 461 F HA -0.045 4.480 4.527 -0.004 0.000 0.298 461 F C -0.739 174.779 175.800 -0.469 0.000 1.105 461 F CA 1.041 59.026 58.000 -0.024 0.000 1.239 461 F CB -1.634 37.322 39.000 -0.072 0.000 0.991 461 F HN -0.127 nan 8.300 nan 0.000 0.474 462 P HA -0.184 nan 4.420 nan 0.000 0.219 462 P C 1.060 177.894 177.300 -0.777 0.000 1.146 462 P CA 1.631 64.154 63.100 -0.961 0.000 0.808 462 P CB -0.205 31.293 31.700 -0.337 0.000 0.779 463 Q N -1.896 117.574 119.800 -0.550 0.000 2.437 463 Q HA -0.177 4.161 4.340 -0.003 0.000 0.210 463 Q C 1.585 177.335 176.000 -0.417 0.000 0.972 463 Q CA 0.983 56.560 55.803 -0.378 0.000 0.903 463 Q CB -0.634 27.974 28.738 -0.216 0.000 0.967 463 Q HN 0.547 nan 8.270 nan 0.000 0.486 464 H N -0.754 117.945 119.070 -0.618 0.000 2.363 464 H HA -0.101 4.454 4.556 -0.002 0.000 0.301 464 H C 1.402 176.690 175.328 -0.067 0.000 1.074 464 H CA 1.328 57.125 56.048 -0.418 0.000 1.354 464 H CB 0.095 29.364 29.762 -0.822 0.000 1.397 464 H HN 0.170 nan 8.280 nan 0.000 0.516 465 F N 0.699 120.541 119.950 -0.180 0.000 2.046 465 F HA -0.179 4.346 4.527 -0.004 0.000 0.297 465 F C 2.300 178.113 175.800 0.021 0.000 1.123 465 F CA 0.982 58.890 58.000 -0.154 0.000 1.199 465 F CB -1.265 37.406 39.000 -0.549 0.000 0.972 465 F HN 0.075 nan 8.300 nan 0.000 0.474 466 L N -0.115 121.216 121.223 0.180 0.000 2.051 466 L HA -0.223 4.115 4.340 -0.003 0.000 0.214 466 L C 2.740 179.645 176.870 0.058 0.000 1.076 466 L CA 1.593 56.488 54.840 0.092 0.000 0.758 466 L CB -1.529 40.419 42.059 -0.185 0.000 0.890 466 L HN 0.313 nan 8.230 nan 0.000 0.433 467 G N -0.231 108.645 108.800 0.126 0.000 2.418 467 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.217 467 G HA3 -0.209 3.749 3.960 -0.003 0.000 0.217 467 G C 1.720 176.751 174.900 0.219 0.000 1.158 467 G CA 0.475 45.697 45.100 0.203 0.000 0.771 467 G HN 0.332 nan 8.290 nan 0.000 0.545 468 R N -0.248 120.402 120.500 0.250 0.000 2.075 468 R HA 0.005 4.343 4.340 -0.003 0.000 0.232 468 R C 2.443 178.820 176.300 0.129 0.000 1.126 468 R CA 0.978 57.171 56.100 0.154 0.000 0.963 468 R CB -0.303 30.105 30.300 0.181 0.000 0.858 468 R HN 0.236 nan 8.270 nan 0.000 0.435 469 Q N -0.091 119.846 119.800 0.228 0.000 2.500 469 Q HA -0.024 4.314 4.340 -0.003 0.000 0.213 469 Q C 1.007 177.249 176.000 0.403 0.000 0.974 469 Q CA 1.151 57.145 55.803 0.318 0.000 0.918 469 Q CB 0.558 29.594 28.738 0.497 0.000 0.980 469 Q HN 0.696 nan 8.270 nan 0.000 0.505 470 G N 1.246 110.188 108.800 0.237 0.000 2.157 470 G HA2 -0.297 3.661 3.960 -0.003 0.000 0.239 470 G HA3 -0.297 3.661 3.960 -0.003 0.000 0.239 470 G C 0.159 175.069 174.900 0.016 0.000 0.982 470 G CA 0.383 45.584 45.100 0.169 0.000 0.650 470 G HN 0.400 nan 8.290 nan 0.000 0.527 471 M N 1.995 121.323 119.600 -0.454 0.000 2.307 471 M HA 0.432 4.910 4.480 -0.003 0.000 0.346 471 M C -2.074 173.969 176.300 -0.428 0.000 1.552 471 M CA -1.330 53.334 55.300 -1.059 0.000 1.116 471 M CB 0.638 32.222 32.600 -1.693 0.000 1.889 471 M HN 0.024 nan 8.290 nan 0.000 0.460 472 P HA 0.225 nan 4.420 nan 0.000 0.276 472 P C -1.439 175.709 177.300 -0.254 0.000 1.252 472 P CA -0.450 62.422 63.100 -0.380 0.000 0.802 472 P CB 0.457 31.785 31.700 -0.619 0.000 1.035 473 R N 0.919 121.350 120.500 -0.115 0.000 2.543 473 R HA 0.546 4.884 4.340 -0.003 0.000 0.268 473 R C -0.235 176.164 176.300 0.165 0.000 1.067 473 R CA -0.724 55.335 56.100 -0.069 0.000 1.142 473 R CB 0.436 30.602 30.300 -0.223 0.000 1.110 473 R HN 0.370 nan 8.270 nan 0.000 0.549 474 R N -0.966 119.731 120.500 0.329 0.000 3.654 474 R HA -0.163 4.175 4.340 -0.003 0.000 0.302 474 R C -1.305 175.342 176.300 0.578 0.000 1.166 474 R CA 0.677 57.089 56.100 0.521 0.000 0.810 474 R CB -1.981 28.533 30.300 0.357 0.000 1.323 474 R HN 0.530 nan 8.270 nan 0.000 0.478 475 Y N -0.094 120.279 120.300 0.123 0.000 2.360 475 Y HA 0.313 4.861 4.550 -0.003 0.000 0.337 475 Y C 1.364 176.820 175.900 -0.741 0.000 1.039 475 Y CA -1.491 56.520 58.100 -0.148 0.000 1.109 475 Y CB 1.119 39.568 38.460 -0.019 0.000 1.201 475 Y HN 0.066 nan 8.280 nan 0.000 0.458 476 I N 0.650 120.769 120.570 -0.752 0.000 3.030 476 I HA 0.017 4.185 4.170 -0.003 0.000 0.270 476 I C -0.321 175.470 176.117 -0.544 0.000 1.211 476 I CA 1.169 61.832 61.300 -1.062 0.000 1.479 476 I CB 0.344 38.070 38.000 -0.456 0.000 1.105 476 I HN 0.553 nan 8.210 nan 0.000 0.447 477 D N -1.183 119.042 120.400 -0.292 0.000 2.596 477 D HA 0.412 5.050 4.640 -0.003 0.000 0.234 477 D C -1.611 174.702 176.300 0.022 0.000 1.181 477 D CA -0.235 53.625 54.000 -0.233 0.000 0.856 477 D CB 1.659 42.313 40.800 -0.244 0.000 1.498 477 D HN 0.089 nan 8.370 nan 0.000 0.446 478 Y N -1.896 118.458 120.300 0.089 0.000 2.597 478 Y HA 0.725 5.273 4.550 -0.003 0.000 0.340 478 Y C -2.838 173.198 175.900 0.226 0.000 1.097 478 Y CA -2.627 55.613 58.100 0.233 0.000 1.037 478 Y CB 0.051 38.638 38.460 0.213 0.000 1.305 478 Y HN 0.083 nan 8.280 nan 0.000 0.463 479 P HA 0.002 nan 4.420 nan 0.000 0.266 479 P C 1.154 178.599 177.300 0.240 0.000 1.195 479 P CA 0.038 63.271 63.100 0.222 0.000 0.768 479 P CB 0.999 32.782 31.700 0.137 0.000 0.838 480 V N 0.795 120.769 119.914 0.100 0.000 2.794 480 V HA -0.267 3.851 4.120 -0.003 0.000 0.260 480 V C 1.454 177.597 176.094 0.081 0.000 1.103 480 V CA 1.733 64.100 62.300 0.112 0.000 1.125 480 V CB -1.347 30.498 31.823 0.037 0.000 0.702 480 V HN 0.392 nan 8.190 nan 0.000 0.494 481 E N 0.649 120.797 120.200 -0.087 0.000 2.265 481 E HA -0.035 4.313 4.350 -0.003 0.000 0.196 481 E C 1.450 177.941 176.600 -0.183 0.000 0.996 481 E CA 1.243 57.503 56.400 -0.234 0.000 0.832 481 E CB -0.397 29.025 29.700 -0.464 0.000 0.756 481 E HN 0.782 nan 8.360 nan 0.000 0.491 482 F N -0.632 119.389 119.950 0.120 0.000 2.693 482 F HA 0.377 4.902 4.527 -0.004 0.000 0.303 482 F C 1.778 177.526 175.800 -0.088 0.000 1.097 482 F CA -0.096 57.893 58.000 -0.019 0.000 1.330 482 F CB -0.416 38.471 39.000 -0.188 0.000 1.067 482 F HN -0.014 nan 8.300 nan 0.000 0.565 483 A N -0.100 122.891 122.820 0.285 0.000 1.858 483 A HA -0.253 4.065 4.320 -0.003 0.000 0.216 483 A C 2.068 179.710 177.584 0.096 0.000 1.190 483 A CA 1.579 53.790 52.037 0.290 0.000 0.617 483 A CB -1.309 17.848 19.000 0.262 0.000 0.827 483 A HN 0.408 nan 8.150 nan 0.000 0.443 484 Y N -0.850 119.385 120.300 -0.108 0.000 1.993 484 Y HA -0.336 4.212 4.550 -0.003 0.000 0.267 484 Y C 2.303 178.014 175.900 -0.315 0.000 1.155 484 Y CA 2.241 60.155 58.100 -0.310 0.000 1.105 484 Y CB -0.784 37.327 38.460 -0.581 0.000 0.960 484 Y HN 0.482 nan 8.280 nan 0.000 0.486 485 W N 0.221 121.565 121.300 0.073 0.000 2.338 485 W HA -0.203 4.455 4.660 -0.004 0.000 0.304 485 W C 2.321 178.712 176.519 -0.214 0.000 1.212 485 W CA 1.229 58.545 57.345 -0.048 0.000 1.264 485 W CB -0.690 28.839 29.460 0.114 0.000 1.142 485 W HN 0.119 nan 8.180 nan 0.000 0.512 486 N N 0.129 118.790 118.700 -0.064 0.000 2.205 486 N HA -0.234 4.505 4.740 -0.003 0.000 0.186 486 N C 1.389 176.782 175.510 -0.194 0.000 1.015 486 N CA 1.529 54.446 53.050 -0.222 0.000 0.862 486 N CB -0.373 37.866 38.487 -0.413 0.000 0.986 486 N HN 0.117 nan 8.380 nan 0.000 0.429 487 N N 0.790 119.365 118.700 -0.209 0.000 2.080 487 N HA -0.065 4.673 4.740 -0.003 0.000 0.189 487 N C 1.420 176.774 175.510 -0.260 0.000 1.036 487 N CA 1.007 53.892 53.050 -0.275 0.000 0.846 487 N CB -0.113 38.199 38.487 -0.291 0.000 1.015 487 N HN 0.027 nan 8.380 nan 0.000 0.423 488 I N 0.612 121.031 120.570 -0.252 0.000 2.118 488 I HA -0.254 3.914 4.170 -0.003 0.000 0.241 488 I C 2.431 178.448 176.117 -0.166 0.000 1.070 488 I CA 1.250 62.452 61.300 -0.163 0.000 1.327 488 I CB -1.663 36.331 38.000 -0.009 0.000 1.034 488 I HN 0.285 nan 8.210 nan 0.000 0.405 489 S N 0.405 116.011 115.700 -0.158 0.000 2.365 489 S HA -0.209 4.259 4.470 -0.003 0.000 0.225 489 S C 2.289 176.674 174.600 -0.359 0.000 1.039 489 S CA 2.283 60.329 58.200 -0.257 0.000 1.033 489 S CB -0.142 62.902 63.200 -0.260 0.000 0.887 489 S HN 0.491 nan 8.310 nan 0.000 0.447 490 S N 1.164 116.640 115.700 -0.374 0.000 2.368 490 S HA 0.043 4.511 4.470 -0.003 0.000 0.224 490 S C 1.782 175.796 174.600 -0.976 0.000 1.029 490 S CA 1.391 59.256 58.200 -0.558 0.000 0.988 490 S CB -0.465 62.492 63.200 -0.405 0.000 0.838 490 S HN 0.550 nan 8.310 nan 0.000 0.462 491 I N 1.677 121.844 120.570 -0.672 0.000 2.264 491 I HA -0.180 3.988 4.170 -0.003 0.000 0.248 491 I C 2.679 178.577 176.117 -0.365 0.000 1.111 491 I CA 1.152 62.138 61.300 -0.524 0.000 1.382 491 I CB -0.909 36.991 38.000 -0.168 0.000 1.060 491 I HN 0.375 nan 8.210 nan 0.000 0.418 492 G N 0.590 109.207 108.800 -0.305 0.000 2.440 492 G HA2 -0.269 3.689 3.960 -0.003 0.000 0.218 492 G HA3 -0.269 3.689 3.960 -0.003 0.000 0.218 492 G C 1.817 176.603 174.900 -0.189 0.000 1.154 492 G CA 0.851 45.827 45.100 -0.207 0.000 0.767 492 G HN 0.513 nan 8.290 nan 0.000 0.552 493 A N -0.310 122.326 122.820 -0.306 0.000 2.014 493 A HA 0.148 4.466 4.320 -0.003 0.000 0.218 493 A C 2.171 179.821 177.584 0.109 0.000 1.163 493 A CA 1.194 53.141 52.037 -0.150 0.000 0.652 493 A CB -0.402 18.472 19.000 -0.211 0.000 0.808 493 A HN 0.369 nan 8.150 nan 0.000 0.449 494 Y N -0.088 120.254 120.300 0.069 0.000 2.184 494 Y HA -0.050 4.498 4.550 -0.003 0.000 0.290 494 Y C 2.201 178.216 175.900 0.193 0.000 1.129 494 Y CA 0.213 58.397 58.100 0.139 0.000 1.144 494 Y CB -1.018 37.499 38.460 0.095 0.000 0.995 494 Y HN 0.216 nan 8.280 nan 0.000 0.513 495 I N -0.640 120.087 120.570 0.262 0.000 2.127 495 I HA -0.345 3.823 4.170 -0.003 0.000 0.241 495 I C 2.391 178.634 176.117 0.210 0.000 1.075 495 I CA 1.705 63.121 61.300 0.192 0.000 1.334 495 I CB -0.572 37.493 38.000 0.109 0.000 1.040 495 I HN 0.067 nan 8.210 nan 0.000 0.405 496 S N 0.588 116.403 115.700 0.190 0.000 2.370 496 S HA -0.229 4.239 4.470 -0.003 0.000 0.226 496 S C 1.878 176.676 174.600 0.329 0.000 1.033 496 S CA 1.584 59.916 58.200 0.221 0.000 1.011 496 S CB -0.525 62.776 63.200 0.169 0.000 0.852 496 S HN 0.406 nan 8.310 nan 0.000 0.457 497 F N 2.592 122.679 119.950 0.228 0.000 2.095 497 F HA -0.128 4.397 4.527 -0.003 0.000 0.298 497 F C 2.333 178.325 175.800 0.320 0.000 1.104 497 F CA 1.022 59.191 58.000 0.281 0.000 1.232 497 F CB -0.875 38.275 39.000 0.250 0.000 0.987 497 F HN 0.172 nan 8.300 nan 0.000 0.475 498 A N -0.332 122.611 122.820 0.205 0.000 1.940 498 A HA -0.229 4.089 4.320 -0.003 0.000 0.219 498 A C 2.395 180.074 177.584 0.159 0.000 1.176 498 A CA 2.211 54.310 52.037 0.104 0.000 0.631 498 A CB -1.452 17.645 19.000 0.162 0.000 0.814 498 A HN 0.547 nan 8.150 nan 0.000 0.446 499 S N -1.608 114.245 115.700 0.255 0.000 2.402 499 S HA -0.134 4.334 4.470 -0.003 0.000 0.229 499 S C 1.784 176.675 174.600 0.485 0.000 1.021 499 S CA 1.398 59.845 58.200 0.411 0.000 0.974 499 S CB -0.564 62.869 63.200 0.388 0.000 0.800 499 S HN 0.476 nan 8.310 nan 0.000 0.484 500 F N 2.064 122.137 119.950 0.205 0.000 2.259 500 F HA 0.303 4.828 4.527 -0.003 0.000 0.298 500 F C 1.839 177.706 175.800 0.111 0.000 1.088 500 F CA 0.559 58.690 58.000 0.220 0.000 1.358 500 F CB -0.274 38.844 39.000 0.197 0.000 1.040 500 F HN 0.172 nan 8.300 nan 0.000 0.505 501 L N -1.476 119.725 121.223 -0.037 0.000 2.044 501 L HA -0.189 4.149 4.340 -0.003 0.000 0.205 501 L C 2.415 179.270 176.870 -0.025 0.000 1.075 501 L CA 1.200 55.957 54.840 -0.137 0.000 0.747 501 L CB -1.066 40.887 42.059 -0.177 0.000 0.903 501 L HN 0.133 nan 8.230 nan 0.000 0.435 502 F N 1.049 120.961 119.950 -0.063 0.000 2.091 502 F HA -0.330 4.195 4.527 -0.003 0.000 0.299 502 F C 2.410 178.131 175.800 -0.132 0.000 1.103 502 F CA 1.497 59.472 58.000 -0.043 0.000 1.228 502 F CB -0.605 38.423 39.000 0.046 0.000 0.984 502 F HN 0.027 nan 8.300 nan 0.000 0.477 503 F N 0.822 120.509 119.950 -0.439 0.000 2.095 503 F HA -0.212 4.313 4.527 -0.003 0.000 0.298 503 F C 2.147 177.573 175.800 -0.622 0.000 1.104 503 F CA 1.624 59.164 58.000 -0.768 0.000 1.232 503 F CB -0.791 37.703 39.000 -0.843 0.000 0.987 503 F HN -0.046 nan 8.300 nan 0.000 0.475 504 I N 1.178 121.264 120.570 -0.806 0.000 2.151 504 I HA -0.268 3.900 4.170 -0.003 0.000 0.243 504 I C 2.826 178.557 176.117 -0.643 0.000 1.080 504 I CA 1.732 62.509 61.300 -0.873 0.000 1.339 504 I CB -2.226 35.469 38.000 -0.508 0.000 1.039 504 I HN 0.361 nan 8.210 nan 0.000 0.409 505 G N 0.990 109.568 108.800 -0.371 0.000 2.440 505 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.218 505 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.218 505 G C 1.835 176.568 174.900 -0.280 0.000 1.154 505 G CA 0.569 45.557 45.100 -0.187 0.000 0.767 505 G HN 0.345 nan 8.290 nan 0.000 0.552 506 I N 0.248 120.500 120.570 -0.531 0.000 2.163 506 I HA -0.191 3.977 4.170 -0.003 0.000 0.243 506 I C 2.809 178.686 176.117 -0.401 0.000 1.085 506 I CA 0.642 61.651 61.300 -0.484 0.000 1.347 506 I CB -0.325 37.315 38.000 -0.600 0.000 1.044 506 I HN 0.039 nan 8.210 nan 0.000 0.408 507 V N 0.664 120.150 119.914 -0.713 0.000 2.287 507 V HA -0.308 3.810 4.120 -0.003 0.000 0.248 507 V C 2.289 178.052 176.094 -0.552 0.000 1.053 507 V CA 2.076 63.927 62.300 -0.748 0.000 1.027 507 V CB -0.683 30.450 31.823 -1.150 0.000 0.646 507 V HN 0.223 nan 8.190 nan 0.000 0.447 508 F N -0.872 118.893 119.950 -0.308 0.000 2.146 508 F HA -0.107 4.418 4.527 -0.003 0.000 0.298 508 F C 2.319 178.012 175.800 -0.178 0.000 1.096 508 F CA 1.258 59.091 58.000 -0.279 0.000 1.275 508 F CB -1.196 37.707 39.000 -0.161 0.000 1.008 508 F HN 0.213 nan 8.300 nan 0.000 0.480 509 Y N 0.870 121.174 120.300 0.007 0.000 2.165 509 Y HA -0.279 4.269 4.550 -0.003 0.000 0.286 509 Y C 2.448 178.352 175.900 0.007 0.000 1.155 509 Y CA 2.273 60.399 58.100 0.043 0.000 1.164 509 Y CB -0.883 37.581 38.460 0.008 0.000 0.978 509 Y HN -0.012 nan 8.280 nan 0.000 0.513 510 T N 1.386 115.966 114.554 0.044 0.000 2.652 510 T HA -0.215 4.133 4.350 -0.003 0.000 0.267 510 T C 1.966 176.574 174.700 -0.154 0.000 1.039 510 T CA 1.953 64.034 62.100 -0.031 0.000 1.153 510 T CB -0.635 68.234 68.868 0.001 0.000 0.863 510 T HN 0.347 nan 8.240 nan 0.000 0.428 511 L N -0.453 120.637 121.223 -0.221 0.000 2.265 511 L HA -0.055 4.283 4.340 -0.003 0.000 0.215 511 L C 1.812 178.537 176.870 -0.243 0.000 1.117 511 L CA 1.089 55.752 54.840 -0.296 0.000 0.782 511 L CB -0.295 41.491 42.059 -0.456 0.000 0.914 511 L HN 0.255 nan 8.230 nan 0.000 0.441 512 F N -1.696 118.198 119.950 -0.095 0.000 2.712 512 F HA 0.282 4.807 4.527 -0.003 0.000 0.297 512 F C 1.661 177.326 175.800 -0.225 0.000 1.114 512 F CA 0.147 58.073 58.000 -0.124 0.000 1.305 512 F CB -0.024 38.927 39.000 -0.082 0.000 1.086 512 F HN -0.109 nan 8.300 nan 0.000 0.599 513 A N -0.569 122.090 122.820 -0.270 0.000 2.701 513 A HA 0.517 4.835 4.320 -0.003 0.000 0.241 513 A C 1.205 178.530 177.584 -0.431 0.000 1.231 513 A CA 0.255 52.038 52.037 -0.423 0.000 1.003 513 A CB -0.796 17.813 19.000 -0.652 0.000 1.281 513 A HN 0.130 nan 8.150 nan 0.000 0.600 514 G N 0.473 109.071 108.800 -0.336 0.000 2.491 514 G HA2 0.352 4.310 3.960 -0.003 0.000 0.238 514 G HA3 0.352 4.310 3.960 -0.003 0.000 0.238 514 G C 0.030 174.893 174.900 -0.060 0.000 1.277 514 G CA -0.106 44.931 45.100 -0.106 0.000 0.851 514 G HN 0.236 nan 8.290 nan 0.000 0.573 515 K N 1.017 121.408 120.400 -0.015 0.000 2.472 515 K HA 0.034 4.352 4.320 -0.003 0.000 0.280 515 K C 0.914 177.468 176.600 -0.076 0.000 1.028 515 K CA 0.041 56.309 56.287 -0.030 0.000 1.045 515 K CB 0.267 32.755 32.500 -0.021 0.000 0.902 515 K HN 0.331 nan 8.250 nan 0.000 0.478 516 R N 2.532 122.999 120.500 -0.056 0.000 2.570 516 R HA 0.115 4.453 4.340 -0.003 0.000 0.277 516 R C -0.696 175.553 176.300 -0.086 0.000 1.039 516 R CA -0.016 56.045 56.100 -0.064 0.000 1.065 516 R CB 0.443 30.723 30.300 -0.034 0.000 0.964 516 R HN 0.337 nan 8.270 nan 0.000 0.428 517 V N 4.309 124.155 119.914 -0.114 0.000 2.670 517 V HA 0.020 4.138 4.120 -0.003 0.000 0.258 517 V C 0.548 176.598 176.094 -0.073 0.000 0.906 517 V CA -0.687 61.536 62.300 -0.128 0.000 0.887 517 V CB 0.933 32.569 31.823 -0.312 0.000 1.059 517 V HN 0.806 nan 8.190 nan 0.000 0.484 518 N N 1.922 120.609 118.700 -0.022 0.000 2.457 518 N HA -0.051 4.687 4.740 -0.003 0.000 0.180 518 N C 0.852 176.387 175.510 0.043 0.000 1.050 518 N CA 0.458 53.512 53.050 0.006 0.000 0.906 518 N CB 0.088 38.579 38.487 0.007 0.000 0.968 518 N HN 0.615 nan 8.380 nan 0.000 0.445 519 V N -1.563 118.389 119.914 0.063 0.000 2.872 519 V HA 0.128 4.246 4.120 -0.003 0.000 0.307 519 V C -1.276 174.921 176.094 0.172 0.000 1.072 519 V CA -1.222 61.142 62.300 0.106 0.000 1.148 519 V CB 0.805 32.694 31.823 0.109 0.000 0.954 519 V HN 0.066 nan 8.190 nan 0.000 0.490 520 P HA 0.008 nan 4.420 nan 0.000 0.237 520 P C 0.073 177.597 177.300 0.374 0.000 1.178 520 P CA 0.826 64.061 63.100 0.226 0.000 0.766 520 P CB 0.080 31.886 31.700 0.177 0.000 0.876 521 N N -0.134 118.770 118.700 0.341 0.000 2.616 521 N HA 0.044 4.782 4.740 -0.003 0.000 0.281 521 N C -0.489 175.080 175.510 0.099 0.000 1.145 521 N CA -0.519 52.710 53.050 0.299 0.000 0.919 521 N CB 0.526 39.135 38.487 0.203 0.000 1.509 521 N HN -0.145 nan 8.380 nan 0.000 0.537 522 Y N 1.095 121.354 120.300 -0.068 0.000 2.467 522 Y HA 0.507 5.055 4.550 -0.003 0.000 0.250 522 Y C 0.938 176.671 175.900 -0.278 0.000 1.155 522 Y CA -0.801 57.172 58.100 -0.212 0.000 1.249 522 Y CB -0.346 37.930 38.460 -0.307 0.000 1.146 522 Y HN 0.363 nan 8.280 nan 0.000 0.524 523 W N 2.319 123.288 121.300 -0.551 0.000 2.903 523 W HA 0.198 4.856 4.660 -0.003 0.000 0.295 523 W C 0.128 176.423 176.519 -0.373 0.000 1.058 523 W CA 0.407 57.430 57.345 -0.537 0.000 1.687 523 W CB -0.038 28.872 29.460 -0.916 0.000 1.286 523 W HN 0.119 nan 8.180 nan 0.000 0.494 524 N N -1.480 117.132 118.700 -0.148 0.000 3.116 524 N HA -0.029 4.709 4.740 -0.003 0.000 0.244 524 N C 0.212 175.622 175.510 -0.165 0.000 1.485 524 N CA -0.238 52.733 53.050 -0.132 0.000 0.884 524 N CB 0.226 38.640 38.487 -0.120 0.000 1.415 524 N HN 0.195 nan 8.380 nan 0.000 0.524 525 E N -0.327 119.799 120.200 -0.122 0.000 2.333 525 E HA -0.272 4.076 4.350 -0.003 0.000 0.200 525 E C 0.055 176.470 176.600 -0.308 0.000 1.010 525 E CA 1.671 57.960 56.400 -0.185 0.000 0.841 525 E CB -0.537 29.049 29.700 -0.190 0.000 0.757 525 E HN 0.756 nan 8.360 nan 0.000 0.508 526 H N 0.692 119.661 119.070 -0.168 0.000 2.548 526 H HA 0.331 4.885 4.556 -0.003 0.000 0.265 526 H C 0.564 175.770 175.328 -0.204 0.000 0.969 526 H CA 0.618 56.568 56.048 -0.163 0.000 1.155 526 H CB 0.446 30.107 29.762 -0.169 0.000 1.394 526 H HN 0.269 nan 8.280 nan 0.000 0.570 527 A N 1.885 124.545 122.820 -0.267 0.000 2.990 527 A HA 0.034 4.352 4.320 -0.003 0.000 0.282 527 A C 0.148 177.634 177.584 -0.162 0.000 1.688 527 A CA -0.292 51.454 52.037 -0.486 0.000 1.391 527 A CB -0.558 17.734 19.000 -1.181 0.000 1.112 527 A HN 0.430 nan 8.150 nan 0.000 0.588 528 D N 1.462 121.897 120.400 0.058 0.000 2.894 528 D HA 0.054 4.693 4.640 -0.003 0.000 0.248 528 D C 0.022 176.487 176.300 0.275 0.000 1.291 528 D CA 0.061 54.149 54.000 0.147 0.000 0.840 528 D CB -0.371 40.450 40.800 0.035 0.000 1.044 528 D HN 0.331 nan 8.370 nan 0.000 0.484 529 T N -3.004 111.867 114.554 0.530 0.000 2.912 529 T HA 0.365 4.713 4.350 -0.003 0.000 0.288 529 T C 1.685 176.646 174.700 0.436 0.000 1.030 529 T CA -0.879 61.484 62.100 0.438 0.000 1.020 529 T CB 1.870 70.965 68.868 0.378 0.000 1.056 529 T HN -0.068 nan 8.240 nan 0.000 0.480 530 L N 0.921 122.353 121.223 0.347 0.000 2.171 530 L HA -0.216 4.122 4.340 -0.003 0.000 0.216 530 L C 2.981 180.026 176.870 0.293 0.000 1.084 530 L CA 1.943 56.988 54.840 0.342 0.000 0.771 530 L CB -0.629 41.665 42.059 0.392 0.000 0.890 530 L HN 0.864 nan 8.230 nan 0.000 0.437 531 E N -0.403 119.907 120.200 0.182 0.000 2.409 531 E HA -0.239 4.109 4.350 -0.003 0.000 0.198 531 E C 1.525 177.962 176.600 -0.273 0.000 1.024 531 E CA 1.141 57.489 56.400 -0.087 0.000 0.861 531 E CB -0.449 29.159 29.700 -0.153 0.000 0.788 531 E HN 0.652 nan 8.360 nan 0.000 0.521 532 W N 1.041 122.501 121.300 0.266 0.000 3.256 532 W HA 0.183 4.842 4.660 -0.003 0.000 0.269 532 W C 1.888 178.495 176.519 0.147 0.000 1.310 532 W CA 0.275 57.727 57.345 0.179 0.000 1.673 532 W CB 0.441 29.988 29.460 0.144 0.000 1.115 532 W HN -0.039 nan 8.180 nan 0.000 0.686 533 T N 0.714 115.434 114.554 0.276 0.000 2.925 533 T HA 0.105 4.453 4.350 -0.003 0.000 0.245 533 T C 0.957 175.759 174.700 0.171 0.000 1.025 533 T CA 0.346 62.576 62.100 0.217 0.000 1.149 533 T CB -0.255 68.749 68.868 0.228 0.000 0.866 533 T HN -0.273 nan 8.240 nan 0.000 0.437 534 L N 3.033 124.341 121.223 0.143 0.000 2.473 534 L HA 0.235 4.573 4.340 -0.003 0.000 0.268 534 L C -1.792 175.121 176.870 0.072 0.000 1.215 534 L CA -1.805 53.080 54.840 0.076 0.000 0.823 534 L CB -0.044 42.014 42.059 -0.002 0.000 1.099 534 L HN 0.111 nan 8.230 nan 0.000 0.483 535 P HA 0.096 nan 4.420 nan 0.000 0.286 535 P C -1.071 176.257 177.300 0.047 0.000 1.293 535 P CA -0.479 62.654 63.100 0.055 0.000 0.770 535 P CB 0.747 32.466 31.700 0.032 0.000 1.206 536 S N 0.804 116.533 115.700 0.049 0.000 2.707 536 S HA 0.418 4.886 4.470 -0.003 0.000 0.312 536 S C -2.309 172.293 174.600 0.003 0.000 1.116 536 S CA -1.071 57.150 58.200 0.035 0.000 1.078 536 S CB 1.141 64.374 63.200 0.055 0.000 0.997 536 S HN 0.390 nan 8.310 nan 0.000 0.477 537 P HA 0.431 nan 4.420 nan 0.000 0.278 537 P C -2.950 174.339 177.300 -0.019 0.000 1.258 537 P CA -2.072 61.032 63.100 0.006 0.000 0.811 537 P CB -0.423 31.286 31.700 0.015 0.000 1.063 538 P HA 0.100 nan 4.420 nan 0.000 0.267 538 P C -2.032 175.193 177.300 -0.126 0.000 1.200 538 P CA -0.565 62.477 63.100 -0.097 0.000 0.772 538 P CB -1.120 30.484 31.700 -0.160 0.000 0.855 539 P HA 0.009 nan 4.420 nan 0.000 0.271 539 P C 0.804 177.998 177.300 -0.175 0.000 1.216 539 P CA 0.022 63.056 63.100 -0.111 0.000 0.776 539 P CB 0.886 32.545 31.700 -0.067 0.000 0.881 540 E N 2.488 122.572 120.200 -0.193 0.000 2.136 540 E HA -0.266 4.082 4.350 -0.003 0.000 0.208 540 E C -0.240 176.105 176.600 -0.425 0.000 1.035 540 E CA 1.527 57.733 56.400 -0.323 0.000 0.838 540 E CB -0.234 29.283 29.700 -0.305 0.000 0.748 540 E HN 0.617 nan 8.360 nan 0.000 0.459 541 H N -0.140 118.836 119.070 -0.157 0.000 2.597 541 H HA 0.230 4.784 4.556 -0.003 0.000 0.303 541 H C -0.719 174.511 175.328 -0.162 0.000 1.057 541 H CA -0.014 55.951 56.048 -0.139 0.000 1.261 541 H CB 1.466 31.169 29.762 -0.097 0.000 1.397 541 H HN 0.049 nan 8.280 nan 0.000 0.461 542 T N 0.254 114.724 114.554 -0.141 0.000 2.859 542 T HA 0.248 4.596 4.350 -0.003 0.000 0.281 542 T C 0.004 174.564 174.700 -0.233 0.000 1.005 542 T CA -0.807 61.083 62.100 -0.352 0.000 1.025 542 T CB 0.687 69.159 68.868 -0.660 0.000 0.977 542 T HN 0.520 nan 8.240 nan 0.000 0.458 543 F N -0.332 119.622 119.950 0.005 0.000 3.069 543 F HA -0.270 4.255 4.527 -0.003 0.000 0.285 543 F C 1.498 177.291 175.800 -0.011 0.000 0.827 543 F CA 0.723 58.719 58.000 -0.007 0.000 1.108 543 F CB -2.770 36.216 39.000 -0.023 0.000 1.252 543 F HN 0.891 nan 8.300 nan 0.000 0.483 544 E N -0.746 119.535 120.200 0.135 0.000 2.015 544 E HA 0.046 4.395 4.350 -0.003 0.000 0.191 544 E C 0.808 177.433 176.600 0.043 0.000 0.991 544 E CA 1.676 58.114 56.400 0.063 0.000 0.802 544 E CB -0.107 29.598 29.700 0.008 0.000 0.759 544 E HN 0.398 nan 8.360 nan 0.000 0.447 545 T N 0.000 114.580 114.554 0.043 0.000 3.816 545 T HA 0.000 4.348 4.350 -0.003 0.000 0.228 545 T CA 0.000 62.116 62.100 0.027 0.000 1.349 545 T CB 0.000 68.868 68.868 -0.000 0.000 0.612 545 T HN 0.000 nan 8.240 nan 0.000 0.658