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 1q1e_1_A DATA FIRST_RESID 4 DATA SEQUENCE VQLQNVTKAW GEVVVSKDIN LDIHEGEFVV FVGPSGCGKS TLLRMIAGLE DATA SEQUENCE TITSGDLFIG EKRMNDTPPA ERGVGMVFQS YALYPHLSVA ENMSFGLKLA DATA SEQUENCE GAKKEVINQR VNQVAEVLQL AHLLDRKPKA LSGGQRQRVA IGRTLVAEPS DATA SEQUENCE VFLLDEPLSN LDAALRVQMR IEISRLHKRL GRTMIYVTHD QVEAMTLADK DATA SEQUENCE IVVLDAGRVA QVGKPLELYH YPADRFVAGF IGSPKMNFLP VKVTATAIDQ DATA SEQUENCE VQVELPMPNR QQVWLPVESR DVQVGANMSL GIRPEHLLPS DIADVILEGE DATA SEQUENCE VQVVEQLGNE TQIHIQIPSI RQNLVYRQND VVLVEEGATF AIGLPPERCH DATA SEQUENCE LFREDGTACR RLHKEPG 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.153 176.094 0.098 0.000 1.182 4 V CA 0.000 62.362 62.300 0.103 0.000 1.235 4 V CB 0.000 31.880 31.823 0.095 0.000 1.184 5 Q N 3.214 123.106 119.800 0.152 0.000 2.289 5 Q HA 0.777 5.115 4.340 -0.002 0.000 0.270 5 Q C -2.309 173.823 176.000 0.219 0.000 1.038 5 Q CA -0.743 55.154 55.803 0.156 0.000 0.812 5 Q CB 2.486 31.304 28.738 0.134 0.000 1.300 5 Q HN 0.655 nan 8.270 nan 0.000 0.427 6 L N 2.723 124.035 121.223 0.148 0.000 2.329 6 L HA 0.490 4.829 4.340 -0.002 0.000 0.279 6 L C -0.844 176.101 176.870 0.126 0.000 1.014 6 L CA -0.012 54.901 54.840 0.121 0.000 0.814 6 L CB 1.986 44.083 42.059 0.062 0.000 1.257 6 L HN 0.654 nan 8.230 nan 0.000 0.424 7 Q N 2.572 122.450 119.800 0.129 0.000 2.337 7 Q HA 0.348 4.687 4.340 -0.002 0.000 0.264 7 Q C -0.503 175.536 176.000 0.065 0.000 1.007 7 Q CA -0.353 55.523 55.803 0.122 0.000 0.727 7 Q CB 0.537 29.415 28.738 0.233 0.000 1.256 7 Q HN 0.684 nan 8.270 nan 0.000 0.467 8 N N 0.638 119.361 118.700 0.037 0.000 2.710 8 N HA -0.199 4.539 4.740 -0.002 0.000 0.249 8 N C -0.858 174.655 175.510 0.005 0.000 1.059 8 N CA 0.489 53.548 53.050 0.016 0.000 0.720 8 N CB -0.771 37.729 38.487 0.022 0.000 0.983 8 N HN 0.234 nan 8.380 nan 0.000 0.544 9 V N 0.759 120.672 119.914 -0.002 0.000 2.521 9 V HA 0.246 4.364 4.120 -0.002 0.000 0.286 9 V C 1.032 177.113 176.094 -0.021 0.000 1.034 9 V CA 0.591 62.883 62.300 -0.013 0.000 1.045 9 V CB 0.904 32.717 31.823 -0.016 0.000 0.974 9 V HN 0.393 nan 8.190 nan 0.000 0.480 10 T N 2.665 117.211 114.554 -0.013 0.000 2.907 10 T HA 0.775 5.124 4.350 -0.002 0.000 0.292 10 T C -0.870 173.831 174.700 0.000 0.000 1.043 10 T CA -1.068 61.024 62.100 -0.014 0.000 1.003 10 T CB 2.270 71.135 68.868 -0.004 0.000 1.084 10 T HN 0.498 nan 8.240 nan 0.000 0.483 11 K N 0.886 121.282 120.400 -0.007 0.000 2.541 11 K HA 0.794 5.113 4.320 -0.002 0.000 0.250 11 K C -1.428 175.186 176.600 0.024 0.000 0.950 11 K CA -0.312 55.981 56.287 0.010 0.000 0.805 11 K CB 1.650 34.115 32.500 -0.060 0.000 1.166 11 K HN 1.139 nan 8.250 nan 0.000 0.430 12 A N 3.847 126.753 122.820 0.143 0.000 2.572 12 A HA 0.619 4.938 4.320 -0.002 0.000 0.295 12 A C -1.853 176.043 177.584 0.519 0.000 1.072 12 A CA -0.754 51.398 52.037 0.192 0.000 0.691 12 A CB 1.061 20.131 19.000 0.118 0.000 1.291 12 A HN 0.683 nan 8.150 nan 0.000 0.404 13 W N 2.072 123.360 121.300 -0.019 0.000 2.336 13 W HA 0.446 5.105 4.660 -0.002 0.000 0.315 13 W C 0.980 177.490 176.519 -0.016 0.000 1.016 13 W CA 0.213 57.548 57.345 -0.017 0.000 1.318 13 W CB 1.670 31.121 29.460 -0.016 0.000 1.247 13 W HN 1.505 nan 8.180 nan 0.000 0.414 14 G N 3.450 112.313 108.800 0.105 0.000 4.430 14 G HA2 -0.475 3.484 3.960 -0.002 0.000 0.332 14 G HA3 -0.475 3.484 3.960 -0.002 0.000 0.332 14 G C 0.658 175.594 174.900 0.058 0.000 1.338 14 G CA 1.549 46.674 45.100 0.042 0.000 1.024 14 G HN 0.656 nan 8.290 nan 0.000 0.750 15 E N -0.844 119.398 120.200 0.069 0.000 2.639 15 E HA 0.495 4.844 4.350 -0.002 0.000 0.225 15 E C 0.425 177.056 176.600 0.052 0.000 0.921 15 E CA 0.220 56.649 56.400 0.048 0.000 1.184 15 E CB 0.499 30.216 29.700 0.028 0.000 1.160 15 E HN 0.631 nan 8.360 nan 0.000 0.547 16 V N 2.345 122.306 119.914 0.078 0.000 2.470 16 V HA 0.168 4.286 4.120 -0.002 0.000 0.276 16 V C -0.027 176.092 176.094 0.042 0.000 1.040 16 V CA -0.494 61.839 62.300 0.054 0.000 1.008 16 V CB 1.204 33.068 31.823 0.068 0.000 0.990 16 V HN 0.137 nan 8.190 nan 0.000 0.477 17 V N 6.494 126.409 119.914 0.003 0.000 2.350 17 V HA 0.185 4.304 4.120 -0.002 0.000 0.276 17 V C 0.773 176.834 176.094 -0.055 0.000 1.028 17 V CA -0.042 62.248 62.300 -0.016 0.000 0.860 17 V CB 1.463 33.275 31.823 -0.018 0.000 0.990 17 V HN 0.802 nan 8.190 nan 0.000 0.453 18 V N 1.447 121.310 119.914 -0.084 0.000 3.471 18 V HA 0.313 4.432 4.120 -0.002 0.000 0.258 18 V C 0.805 176.830 176.094 -0.115 0.000 1.192 18 V CA 0.572 62.800 62.300 -0.121 0.000 1.116 18 V CB 0.750 32.462 31.823 -0.186 0.000 0.792 18 V HN 0.655 nan 8.190 nan 0.000 0.459 19 S N 1.590 117.233 115.700 -0.097 0.000 2.789 19 S HA 0.424 4.893 4.470 -0.002 0.000 0.286 19 S C -0.587 173.969 174.600 -0.073 0.000 1.153 19 S CA -0.726 57.417 58.200 -0.096 0.000 1.084 19 S CB 0.584 63.727 63.200 -0.095 0.000 1.036 19 S HN 0.412 nan 8.310 nan 0.000 0.484 20 K N 4.169 124.521 120.400 -0.079 0.000 2.262 20 K HA 0.106 4.424 4.320 -0.002 0.000 0.288 20 K C -0.080 176.486 176.600 -0.057 0.000 1.090 20 K CA -0.338 55.911 56.287 -0.063 0.000 0.918 20 K CB 0.071 32.529 32.500 -0.070 0.000 1.139 20 K HN 0.905 nan 8.250 nan 0.000 0.462 21 D N 2.621 122.998 120.400 -0.040 0.000 4.554 21 D HA -0.246 4.393 4.640 -0.002 0.000 0.185 21 D C -0.448 175.829 176.300 -0.038 0.000 1.202 21 D CA 0.709 54.691 54.000 -0.029 0.000 0.870 21 D CB -0.679 40.111 40.800 -0.017 0.000 1.028 21 D HN 0.441 nan 8.370 nan 0.000 0.550 22 I N 1.893 122.435 120.570 -0.046 0.000 2.342 22 I HA 0.106 4.275 4.170 -0.002 0.000 0.291 22 I C 0.648 176.748 176.117 -0.029 0.000 1.010 22 I CA -0.608 60.656 61.300 -0.060 0.000 1.308 22 I CB 0.798 38.739 38.000 -0.099 0.000 1.400 22 I HN 0.188 nan 8.210 nan 0.000 0.488 23 N N 8.629 127.314 118.700 -0.025 0.000 2.446 23 N HA 0.618 5.356 4.740 -0.002 0.000 0.265 23 N C -1.029 174.481 175.510 -0.000 0.000 0.975 23 N CA -0.405 52.646 53.050 0.002 0.000 0.928 23 N CB 2.400 40.891 38.487 0.007 0.000 1.160 23 N HN 0.395 nan 8.380 nan 0.000 0.495 24 L N 0.678 121.913 121.223 0.019 0.000 2.424 24 L HA 0.469 4.808 4.340 -0.002 0.000 0.258 24 L C -0.839 176.042 176.870 0.018 0.000 0.995 24 L CA -0.797 54.055 54.840 0.020 0.000 0.821 24 L CB 2.749 44.831 42.059 0.040 0.000 1.383 24 L HN 0.308 nan 8.230 nan 0.000 0.410 25 D N 2.603 122.986 120.400 -0.028 0.000 2.402 25 D HA 0.381 5.020 4.640 -0.002 0.000 0.252 25 D C -1.124 175.031 176.300 -0.242 0.000 1.294 25 D CA -0.173 53.766 54.000 -0.103 0.000 0.948 25 D CB 1.254 41.987 40.800 -0.112 0.000 1.202 25 D HN 0.321 nan 8.370 nan 0.000 0.561 26 I N 5.027 125.512 120.570 -0.141 0.000 2.306 26 I HA 0.136 4.305 4.170 -0.002 0.000 0.288 26 I C 0.630 176.680 176.117 -0.111 0.000 1.036 26 I CA -0.703 60.522 61.300 -0.125 0.000 1.221 26 I CB 0.623 38.639 38.000 0.027 0.000 1.385 26 I HN 0.234 nan 8.210 nan 0.000 0.472 27 H N 4.848 123.970 119.070 0.087 0.000 2.790 27 H HA 0.060 4.615 4.556 -0.001 0.000 0.358 27 H C 0.131 175.509 175.328 0.084 0.000 1.103 27 H CA -0.071 56.023 56.048 0.076 0.000 1.426 27 H CB 0.635 30.439 29.762 0.070 0.000 1.424 27 H HN 0.559 nan 8.280 nan 0.000 0.599 28 E N 0.239 120.558 120.200 0.198 0.000 2.452 28 E HA 0.110 4.459 4.350 -0.002 0.000 0.261 28 E C 0.886 177.573 176.600 0.144 0.000 0.987 28 E CA 0.863 57.347 56.400 0.141 0.000 0.926 28 E CB 0.110 29.874 29.700 0.106 0.000 0.934 28 E HN 0.858 nan 8.360 nan 0.000 0.452 29 G N 3.475 112.358 108.800 0.138 0.000 2.253 29 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.251 29 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.251 29 G C 0.057 175.110 174.900 0.254 0.000 0.998 29 G CA 0.308 45.505 45.100 0.162 0.000 0.621 29 G HN 0.621 nan 8.290 nan 0.000 0.524 30 E N 0.148 120.481 120.200 0.222 0.000 2.392 30 E HA 0.354 4.703 4.350 -0.002 0.000 0.264 30 E C -0.606 176.119 176.600 0.208 0.000 1.024 30 E CA -0.567 55.975 56.400 0.237 0.000 0.903 30 E CB 0.500 30.320 29.700 0.199 0.000 0.963 30 E HN 0.113 nan 8.360 nan 0.000 0.432 31 F N 4.790 124.703 119.950 -0.062 0.000 2.313 31 F HA 0.257 4.782 4.527 -0.003 0.000 0.369 31 F C -0.845 174.900 175.800 -0.091 0.000 1.109 31 F CA -1.138 56.696 58.000 -0.276 0.000 1.132 31 F CB 0.146 38.765 39.000 -0.635 0.000 1.291 31 F HN 0.038 nan 8.300 nan 0.000 0.496 32 V N 6.703 126.780 119.914 0.271 0.000 2.532 32 V HA 0.579 4.698 4.120 -0.002 0.000 0.295 32 V C -0.549 175.537 176.094 -0.014 0.000 1.041 32 V CA -0.861 61.485 62.300 0.076 0.000 0.926 32 V CB 1.822 33.687 31.823 0.070 0.000 0.992 32 V HN 0.519 nan 8.190 nan 0.000 0.457 33 V N 5.284 125.175 119.914 -0.038 0.000 2.577 33 V HA 0.583 4.701 4.120 -0.002 0.000 0.303 33 V C -1.048 175.146 176.094 0.167 0.000 1.042 33 V CA -0.469 61.821 62.300 -0.017 0.000 0.872 33 V CB 1.604 33.408 31.823 -0.030 0.000 0.998 33 V HN 0.691 nan 8.190 nan 0.000 0.423 34 F N 6.709 126.652 119.950 -0.010 0.000 2.411 34 F HA 0.635 5.161 4.527 -0.002 0.000 0.355 34 F C 0.398 176.180 175.800 -0.031 0.000 1.117 34 F CA -0.845 57.139 58.000 -0.027 0.000 1.139 34 F CB 1.799 40.773 39.000 -0.043 0.000 1.120 34 F HN 0.624 nan 8.300 nan 0.000 0.493 35 V N 1.002 121.014 119.914 0.164 0.000 2.914 35 V HA 1.090 5.209 4.120 -0.002 0.000 0.314 35 V C -0.329 175.783 176.094 0.029 0.000 1.084 35 V CA -0.710 61.674 62.300 0.139 0.000 0.963 35 V CB 1.406 33.364 31.823 0.224 0.000 1.025 35 V HN 0.959 nan 8.190 nan 0.000 0.432 36 G N 1.675 110.558 108.800 0.138 0.000 2.347 36 G HA2 0.467 4.425 3.960 -0.002 0.000 0.303 36 G HA3 0.467 4.425 3.960 -0.002 0.000 0.303 36 G C -3.477 171.592 174.900 0.282 0.000 1.481 36 G CA -0.243 44.858 45.100 0.002 0.000 0.914 36 G HN 0.796 nan 8.290 nan 0.000 0.638 37 P HA 0.257 nan 4.420 nan 0.000 0.271 37 P C 0.528 177.921 177.300 0.154 0.000 1.238 37 P CA 0.093 63.374 63.100 0.303 0.000 0.794 37 P CB 0.777 32.660 31.700 0.304 0.000 0.959 38 S N -0.165 115.596 115.700 0.102 0.000 2.546 38 S HA 0.319 4.788 4.470 -0.002 0.000 0.290 38 S C 1.331 175.938 174.600 0.012 0.000 1.290 38 S CA 0.887 59.105 58.200 0.030 0.000 1.069 38 S CB -1.593 61.600 63.200 -0.012 0.000 0.846 38 S HN 0.914 nan 8.310 nan 0.000 0.495 39 G N 2.836 111.629 108.800 -0.011 0.000 2.147 39 G HA2 -0.292 3.666 3.960 -0.002 0.000 0.244 39 G HA3 -0.292 3.666 3.960 -0.002 0.000 0.244 39 G C 0.871 175.744 174.900 -0.045 0.000 1.005 39 G CA 0.432 45.511 45.100 -0.034 0.000 0.713 39 G HN 1.576 nan 8.290 nan 0.000 0.515 40 C N -1.805 117.473 119.300 -0.037 0.000 2.563 40 C HA 0.607 5.066 4.460 -0.002 0.000 0.268 40 C C 2.232 177.165 174.990 -0.095 0.000 1.365 40 C CA 0.750 59.726 59.018 -0.070 0.000 1.754 40 C CB -0.562 27.141 27.740 -0.062 0.000 1.932 40 C HN 2.341 nan 8.230 nan 0.000 0.536 41 G N 1.628 110.379 108.800 -0.082 0.000 2.154 41 G HA2 -0.221 3.737 3.960 -0.002 0.000 0.186 41 G HA3 -0.221 3.737 3.960 -0.002 0.000 0.186 41 G C 0.744 175.590 174.900 -0.090 0.000 1.000 41 G CA 0.345 45.385 45.100 -0.099 0.000 0.664 41 G HN 0.715 nan 8.290 nan 0.000 0.513 42 K N -0.003 120.365 120.400 -0.052 0.000 2.097 42 K HA 0.107 4.426 4.320 -0.002 0.000 0.205 42 K C 2.186 178.831 176.600 0.075 0.000 1.050 42 K CA 1.717 58.009 56.287 0.009 0.000 0.938 42 K CB -0.274 32.266 32.500 0.065 0.000 0.718 42 K HN 0.191 nan 8.250 nan 0.000 0.442 43 S N 0.814 116.522 115.700 0.013 0.000 2.395 43 S HA -0.046 4.423 4.470 -0.002 0.000 0.225 43 S C 1.913 176.501 174.600 -0.020 0.000 1.027 43 S CA 1.327 59.525 58.200 -0.003 0.000 0.965 43 S CB -0.201 62.977 63.200 -0.036 0.000 0.812 43 S HN 0.404 nan 8.310 nan 0.000 0.482 44 T N 2.930 117.454 114.554 -0.051 0.000 2.746 44 T HA 0.027 4.375 4.350 -0.002 0.000 0.267 44 T C 1.719 176.392 174.700 -0.046 0.000 1.039 44 T CA 0.754 62.807 62.100 -0.077 0.000 1.142 44 T CB -0.367 68.425 68.868 -0.127 0.000 0.866 44 T HN 0.210 nan 8.240 nan 0.000 0.444 45 L N 0.338 121.542 121.223 -0.032 0.000 2.012 45 L HA -0.101 4.237 4.340 -0.002 0.000 0.210 45 L C 2.430 179.365 176.870 0.110 0.000 1.073 45 L CA 1.374 56.211 54.840 -0.006 0.000 0.748 45 L CB -0.379 41.613 42.059 -0.112 0.000 0.891 45 L HN 0.257 nan 8.230 nan 0.000 0.431 46 L N 0.023 121.354 121.223 0.180 0.000 1.989 46 L HA -0.259 4.080 4.340 -0.002 0.000 0.211 46 L C 2.710 179.595 176.870 0.024 0.000 1.071 46 L CA 1.757 56.679 54.840 0.137 0.000 0.749 46 L CB -0.469 41.619 42.059 0.048 0.000 0.890 46 L HN 0.116 nan 8.230 nan 0.000 0.431 47 R N -1.279 119.212 120.500 -0.014 0.000 2.117 47 R HA -0.190 4.149 4.340 -0.002 0.000 0.243 47 R C 2.243 178.533 176.300 -0.016 0.000 1.143 47 R CA 2.049 58.124 56.100 -0.040 0.000 0.968 47 R CB -0.353 29.916 30.300 -0.051 0.000 0.863 47 R HN 0.448 nan 8.270 nan 0.000 0.444 48 M N -0.145 119.452 119.600 -0.004 0.000 2.117 48 M HA -0.177 4.301 4.480 -0.002 0.000 0.262 48 M C 2.176 178.484 176.300 0.014 0.000 1.065 48 M CA 1.675 56.977 55.300 0.004 0.000 1.114 48 M CB -0.267 32.331 32.600 -0.002 0.000 1.361 48 M HN 0.140 nan 8.290 nan 0.000 0.408 49 I N 0.093 120.681 120.570 0.030 0.000 2.361 49 I HA -0.225 3.944 4.170 -0.002 0.000 0.251 49 I C 2.643 178.768 176.117 0.013 0.000 1.133 49 I CA 1.095 62.415 61.300 0.034 0.000 1.413 49 I CB -0.561 37.477 38.000 0.064 0.000 1.073 49 I HN 0.238 nan 8.210 nan 0.000 0.424 50 A N 0.284 123.100 122.820 -0.006 0.000 1.968 50 A HA 0.134 4.453 4.320 -0.002 0.000 0.217 50 A C 1.999 179.590 177.584 0.012 0.000 1.169 50 A CA 1.334 53.361 52.037 -0.017 0.000 0.638 50 A CB -0.645 18.314 19.000 -0.069 0.000 0.812 50 A HN 0.581 nan 8.150 nan 0.000 0.446 51 G N -1.832 106.976 108.800 0.014 0.000 2.134 51 G HA2 -0.174 3.784 3.960 -0.002 0.000 0.209 51 G HA3 -0.174 3.784 3.960 -0.002 0.000 0.209 51 G C 0.526 175.449 174.900 0.038 0.000 0.993 51 G CA 0.273 45.390 45.100 0.027 0.000 0.669 51 G HN 0.439 nan 8.290 nan 0.000 0.519 52 L N -0.408 120.832 121.223 0.028 0.000 2.592 52 L HA 0.389 4.727 4.340 -0.002 0.000 0.227 52 L C 0.633 177.524 176.870 0.035 0.000 1.127 52 L CA 0.484 55.347 54.840 0.038 0.000 0.884 52 L CB 0.075 42.144 42.059 0.017 0.000 1.065 52 L HN 0.195 nan 8.230 nan 0.000 0.457 53 E N 0.035 120.254 120.200 0.031 0.000 2.366 53 E HA 0.251 4.600 4.350 -0.002 0.000 0.278 53 E C -0.715 175.921 176.600 0.059 0.000 0.923 53 E CA -0.286 56.141 56.400 0.045 0.000 0.761 53 E CB 2.375 32.070 29.700 -0.009 0.000 1.231 53 E HN -0.050 nan 8.360 nan 0.000 0.443 54 T N -0.977 113.645 114.554 0.113 0.000 2.882 54 T HA 0.579 4.928 4.350 -0.002 0.000 0.287 54 T C 0.643 175.398 174.700 0.091 0.000 1.014 54 T CA -0.523 61.638 62.100 0.103 0.000 1.049 54 T CB 0.444 69.391 68.868 0.131 0.000 1.001 54 T HN 0.326 nan 8.240 nan 0.000 0.525 55 I N 2.876 123.480 120.570 0.055 0.000 2.321 55 I HA 0.193 4.362 4.170 -0.002 0.000 0.291 55 I C 1.942 178.089 176.117 0.051 0.000 0.998 55 I CA -0.699 60.623 61.300 0.037 0.000 1.227 55 I CB 1.779 39.780 38.000 0.002 0.000 1.368 55 I HN 1.043 nan 8.210 nan 0.000 0.466 56 T N 1.416 116.013 114.554 0.072 0.000 2.857 56 T HA -0.024 4.325 4.350 -0.002 0.000 0.266 56 T C 0.697 175.416 174.700 0.032 0.000 1.048 56 T CA 0.904 63.046 62.100 0.070 0.000 1.139 56 T CB 0.052 68.982 68.868 0.103 0.000 0.874 56 T HN 0.642 nan 8.240 nan 0.000 0.455 57 S N -1.132 114.580 115.700 0.020 0.000 2.547 57 S HA 0.667 5.136 4.470 -0.002 0.000 0.270 57 S C -0.207 174.391 174.600 -0.003 0.000 1.150 57 S CA -0.158 58.045 58.200 0.006 0.000 0.850 57 S CB 1.470 64.675 63.200 0.009 0.000 1.118 57 S HN 1.663 nan 8.310 nan 0.000 0.461 58 G N 1.253 110.047 108.800 -0.010 0.000 2.423 58 G HA2 0.212 4.170 3.960 -0.002 0.000 0.684 58 G HA3 0.212 4.170 3.960 -0.002 0.000 0.684 58 G C -2.266 172.603 174.900 -0.052 0.000 1.309 58 G CA -0.674 44.418 45.100 -0.013 0.000 0.950 58 G HN 0.859 nan 8.290 nan 0.000 0.587 59 D N -0.049 120.313 120.400 -0.063 0.000 2.375 59 D HA 0.494 5.132 4.640 -0.002 0.000 0.247 59 D C -0.669 175.463 176.300 -0.280 0.000 1.061 59 D CA -0.383 53.478 54.000 -0.231 0.000 0.834 59 D CB 2.528 43.182 40.800 -0.243 0.000 1.247 59 D HN 0.456 nan 8.370 nan 0.000 0.489 60 L N 3.136 124.129 121.223 -0.383 0.000 2.294 60 L HA 0.455 4.793 4.340 -0.002 0.000 0.283 60 L C -1.681 174.977 176.870 -0.353 0.000 1.015 60 L CA -0.377 54.326 54.840 -0.229 0.000 0.831 60 L CB 0.340 42.334 42.059 -0.108 0.000 1.217 60 L HN 0.143 nan 8.230 nan 0.000 0.420 61 F N 5.970 125.937 119.950 0.028 0.000 2.427 61 F HA 0.570 5.096 4.527 -0.002 0.000 0.346 61 F C 0.117 175.937 175.800 0.033 0.000 1.120 61 F CA -0.433 57.584 58.000 0.029 0.000 1.033 61 F CB 1.379 40.395 39.000 0.028 0.000 1.126 61 F HN 0.251 nan 8.300 nan 0.000 0.462 62 I N 2.727 123.412 120.570 0.193 0.000 2.439 62 I HA 0.449 4.618 4.170 -0.002 0.000 0.285 62 I C 0.597 176.790 176.117 0.127 0.000 1.021 62 I CA -0.176 61.203 61.300 0.132 0.000 1.091 62 I CB 1.494 39.545 38.000 0.084 0.000 1.242 62 I HN 0.857 nan 8.210 nan 0.000 0.439 63 G N 5.081 113.950 108.800 0.115 0.000 2.812 63 G HA2 -0.304 3.654 3.960 -0.002 0.000 0.219 63 G HA3 -0.304 3.654 3.960 -0.002 0.000 0.219 63 G C 0.580 175.537 174.900 0.095 0.000 1.275 63 G CA 0.791 45.947 45.100 0.095 0.000 0.769 63 G HN 0.608 nan 8.290 nan 0.000 0.527 64 E N -0.968 119.311 120.200 0.130 0.000 1.201 64 E HA 0.078 4.427 4.350 -0.002 0.000 0.199 64 E C 0.106 176.825 176.600 0.199 0.000 0.810 64 E CA 0.995 57.456 56.400 0.103 0.000 0.897 64 E CB -0.342 29.389 29.700 0.052 0.000 4.595 64 E HN 0.865 nan 8.360 nan 0.000 0.578 65 K N 0.708 121.253 120.400 0.241 0.000 2.203 65 K HA 0.609 4.928 4.320 -0.002 0.000 0.251 65 K C -0.270 176.474 176.600 0.240 0.000 0.944 65 K CA -0.985 55.458 56.287 0.260 0.000 0.829 65 K CB 1.762 34.342 32.500 0.133 0.000 1.125 65 K HN -0.171 nan 8.250 nan 0.000 0.430 66 R N 1.904 122.482 120.500 0.130 0.000 2.538 66 R HA 0.001 4.340 4.340 -0.002 0.000 0.282 66 R C 0.465 176.704 176.300 -0.101 0.000 1.009 66 R CA 0.310 56.284 56.100 -0.210 0.000 1.063 66 R CB 0.350 30.519 30.300 -0.219 0.000 0.945 66 R HN 0.692 nan 8.270 nan 0.000 0.414 67 M N 1.265 120.783 119.600 -0.137 0.000 2.367 67 M HA 0.061 4.540 4.480 -0.002 0.000 0.256 67 M C -0.189 176.074 176.300 -0.061 0.000 1.091 67 M CA 0.065 55.330 55.300 -0.059 0.000 1.049 67 M CB -0.404 32.179 32.600 -0.028 0.000 1.406 67 M HN 0.376 nan 8.290 nan 0.000 0.498 68 N N 2.160 120.800 118.700 -0.099 0.000 2.344 68 N HA 0.030 4.769 4.740 -0.002 0.000 0.236 68 N C 0.358 175.842 175.510 -0.044 0.000 1.279 68 N CA 0.468 53.478 53.050 -0.067 0.000 0.882 68 N CB 0.166 38.602 38.487 -0.084 0.000 1.110 68 N HN 0.075 nan 8.380 nan 0.000 0.436 69 D N -2.798 117.587 120.400 -0.025 0.000 2.495 69 D HA -0.148 4.491 4.640 -0.002 0.000 0.175 69 D C -0.697 175.598 176.300 -0.008 0.000 1.040 69 D CA 1.536 55.527 54.000 -0.015 0.000 1.049 69 D CB -1.375 39.414 40.800 -0.019 0.000 1.105 69 D HN 0.586 nan 8.370 nan 0.000 0.457 70 T N 2.171 116.720 114.554 -0.008 0.000 2.767 70 T HA 0.461 4.810 4.350 -0.002 0.000 0.288 70 T C -2.476 172.229 174.700 0.007 0.000 0.963 70 T CA -1.130 60.971 62.100 0.001 0.000 1.019 70 T CB 1.971 70.841 68.868 0.003 0.000 0.923 70 T HN -0.167 nan 8.240 nan 0.000 0.468 71 P HA 0.020 nan 4.420 nan 0.000 0.261 71 P C -1.535 175.777 177.300 0.020 0.000 1.173 71 P CA -1.055 62.053 63.100 0.014 0.000 0.760 71 P CB 0.182 31.890 31.700 0.013 0.000 0.783 72 P HA -0.270 nan 4.420 nan 0.000 0.218 72 P C 0.977 178.302 177.300 0.041 0.000 1.146 72 P CA 1.807 64.929 63.100 0.036 0.000 0.820 72 P CB -0.186 31.542 31.700 0.048 0.000 0.778 73 A N 0.464 123.305 122.820 0.034 0.000 1.968 73 A HA -0.127 4.192 4.320 -0.002 0.000 0.217 73 A C 1.813 179.417 177.584 0.033 0.000 1.169 73 A CA 1.089 53.146 52.037 0.034 0.000 0.638 73 A CB -0.878 18.136 19.000 0.022 0.000 0.812 73 A HN 0.244 nan 8.150 nan 0.000 0.446 74 E N -0.705 119.512 120.200 0.028 0.000 2.394 74 E HA 0.110 4.459 4.350 -0.002 0.000 0.191 74 E C 1.220 177.839 176.600 0.030 0.000 1.044 74 E CA -0.259 56.157 56.400 0.027 0.000 0.939 74 E CB 0.187 29.900 29.700 0.021 0.000 1.089 74 E HN 0.489 nan 8.360 nan 0.000 0.456 75 R N -0.384 120.137 120.500 0.034 0.000 2.254 75 R HA 0.078 4.417 4.340 -0.002 0.000 0.195 75 R C 1.291 177.617 176.300 0.043 0.000 0.957 75 R CA 0.649 56.770 56.100 0.035 0.000 1.024 75 R CB 0.469 30.788 30.300 0.032 0.000 0.952 75 R HN 0.271 nan 8.270 nan 0.000 0.484 76 G N 1.091 109.918 108.800 0.046 0.000 2.175 76 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.244 76 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.244 76 G C 0.199 175.133 174.900 0.056 0.000 0.982 76 G CA 0.206 45.337 45.100 0.052 0.000 0.641 76 G HN 0.266 nan 8.290 nan 0.000 0.527 77 V N -1.316 118.628 119.914 0.049 0.000 2.716 77 V HA 0.966 5.085 4.120 -0.002 0.000 0.304 77 V C 0.514 176.631 176.094 0.039 0.000 1.053 77 V CA -0.109 62.214 62.300 0.040 0.000 0.984 77 V CB 1.946 33.783 31.823 0.024 0.000 1.021 77 V HN 1.459 nan 8.190 nan 0.000 0.467 78 G N 4.094 112.900 108.800 0.009 0.000 2.702 78 G HA2 0.590 4.549 3.960 -0.002 0.000 0.295 78 G HA3 0.590 4.549 3.960 -0.002 0.000 0.295 78 G C -1.042 173.765 174.900 -0.156 0.000 1.446 78 G CA -0.736 44.363 45.100 -0.001 0.000 0.983 78 G HN 1.073 nan 8.290 nan 0.000 0.520 79 M N 3.391 122.921 119.600 -0.116 0.000 2.264 79 M HA 0.585 5.064 4.480 -0.002 0.000 0.352 79 M C -0.575 175.545 176.300 -0.300 0.000 1.173 79 M CA -0.538 54.562 55.300 -0.334 0.000 1.075 79 M CB 1.823 34.121 32.600 -0.505 0.000 1.621 79 M HN 0.161 nan 8.290 nan 0.000 0.457 80 V N 6.665 126.347 119.914 -0.388 0.000 2.387 80 V HA 0.170 4.289 4.120 -0.002 0.000 0.260 80 V C -0.534 175.469 176.094 -0.152 0.000 1.054 80 V CA -0.051 62.153 62.300 -0.160 0.000 0.967 80 V CB -0.844 30.895 31.823 -0.140 0.000 1.036 80 V HN 0.694 nan 8.190 nan 0.000 0.481 81 F N 4.297 124.247 119.950 -0.001 0.000 2.651 81 F HA 0.191 4.716 4.527 -0.002 0.000 0.347 81 F C 1.720 177.553 175.800 0.055 0.000 1.284 81 F CA 0.005 58.018 58.000 0.022 0.000 1.175 81 F CB -0.136 38.880 39.000 0.027 0.000 1.542 81 F HN 0.557 nan 8.300 nan 0.000 0.661 82 Q N 0.204 120.060 119.800 0.094 0.000 2.389 82 Q HA -0.172 4.167 4.340 -0.002 0.000 0.213 82 Q C 1.345 177.401 176.000 0.094 0.000 0.989 82 Q CA 1.498 57.351 55.803 0.084 0.000 0.891 82 Q CB -0.094 28.668 28.738 0.040 0.000 0.923 82 Q HN 0.470 nan 8.270 nan 0.000 0.455 83 S N -0.755 115.023 115.700 0.130 0.000 2.629 83 S HA 0.050 4.519 4.470 -0.002 0.000 0.236 83 S C -0.527 174.160 174.600 0.144 0.000 1.010 83 S CA -0.502 57.760 58.200 0.103 0.000 0.981 83 S CB 0.269 63.516 63.200 0.078 0.000 0.919 83 S HN 0.302 nan 8.310 nan 0.000 0.514 84 Y N 4.436 124.746 120.300 0.016 0.000 2.616 84 Y HA 0.560 5.108 4.550 -0.002 0.000 0.350 84 Y C 0.438 176.246 175.900 -0.153 0.000 1.119 84 Y CA -2.040 56.015 58.100 -0.074 0.000 1.467 84 Y CB -1.060 37.361 38.460 -0.065 0.000 1.287 84 Y HN 0.237 nan 8.280 nan 0.000 0.504 85 A N 6.476 129.188 122.820 -0.181 0.000 2.584 85 A HA 0.144 4.463 4.320 -0.002 0.000 0.239 85 A C 0.045 177.260 177.584 -0.615 0.000 1.043 85 A CA -0.335 51.514 52.037 -0.313 0.000 0.756 85 A CB -0.186 18.683 19.000 -0.219 0.000 0.963 85 A HN 0.699 nan 8.150 nan 0.000 0.511 86 L N 2.310 123.264 121.223 -0.448 0.000 2.506 86 L HA -0.041 4.298 4.340 -0.002 0.000 0.281 86 L C 0.101 176.692 176.870 -0.466 0.000 1.228 86 L CA 0.721 55.288 54.840 -0.456 0.000 0.850 86 L CB -0.530 41.397 42.059 -0.220 0.000 1.110 86 L HN 0.627 nan 8.230 nan 0.000 0.496 87 Y N 4.014 124.115 120.300 -0.332 0.000 2.624 87 Y HA 0.129 4.678 4.550 -0.002 0.000 0.354 87 Y C -1.398 174.396 175.900 -0.176 0.000 1.051 87 Y CA -2.090 55.847 58.100 -0.271 0.000 1.377 87 Y CB -0.437 37.841 38.460 -0.304 0.000 1.168 87 Y HN 0.411 nan 8.280 nan 0.000 0.525 88 P HA -0.092 nan 4.420 nan 0.000 0.269 88 P C -0.509 176.752 177.300 -0.065 0.000 1.217 88 P CA 0.507 63.517 63.100 -0.150 0.000 0.783 88 P CB 0.501 32.006 31.700 -0.325 0.000 0.898 89 H N -2.335 116.750 119.070 0.026 0.000 2.969 89 H HA -0.111 4.444 4.556 -0.002 0.000 0.269 89 H C -0.321 175.026 175.328 0.031 0.000 1.230 89 H CA -0.281 55.782 56.048 0.026 0.000 1.123 89 H CB -1.693 28.084 29.762 0.025 0.000 1.289 89 H HN 0.322 nan 8.280 nan 0.000 0.364 90 L N 0.938 122.244 121.223 0.140 0.000 2.445 90 L HA 0.392 4.730 4.340 -0.002 0.000 0.262 90 L C 0.405 177.322 176.870 0.077 0.000 0.974 90 L CA -0.740 54.161 54.840 0.103 0.000 0.822 90 L CB 2.094 44.219 42.059 0.111 0.000 1.339 90 L HN 0.181 nan 8.230 nan 0.000 0.409 91 S N 0.469 116.209 115.700 0.067 0.000 2.592 91 S HA 0.230 4.699 4.470 -0.002 0.000 0.271 91 S C 1.173 175.805 174.600 0.052 0.000 1.326 91 S CA -0.868 57.363 58.200 0.052 0.000 1.024 91 S CB 1.682 64.909 63.200 0.043 0.000 0.921 91 S HN 0.350 nan 8.310 nan 0.000 0.527 92 V N 1.898 121.836 119.914 0.040 0.000 2.439 92 V HA -0.281 3.838 4.120 -0.002 0.000 0.253 92 V C 2.829 178.952 176.094 0.049 0.000 1.074 92 V CA 2.485 64.808 62.300 0.038 0.000 1.076 92 V CB -1.851 29.990 31.823 0.031 0.000 0.664 92 V HN 1.022 nan 8.190 nan 0.000 0.461 93 A N -0.531 122.317 122.820 0.046 0.000 1.897 93 A HA -0.185 4.134 4.320 -0.002 0.000 0.215 93 A C 2.192 179.818 177.584 0.070 0.000 1.181 93 A CA 1.544 53.610 52.037 0.048 0.000 0.620 93 A CB -0.403 18.616 19.000 0.033 0.000 0.821 93 A HN 0.606 nan 8.150 nan 0.000 0.443 94 E N -0.148 120.099 120.200 0.077 0.000 2.110 94 E HA -0.191 4.158 4.350 -0.002 0.000 0.193 94 E C 1.813 178.517 176.600 0.173 0.000 0.988 94 E CA 1.306 57.771 56.400 0.108 0.000 0.804 94 E CB -0.230 29.528 29.700 0.096 0.000 0.745 94 E HN 0.672 nan 8.360 nan 0.000 0.458 95 N N 0.334 119.121 118.700 0.145 0.000 2.106 95 N HA -0.078 4.661 4.740 -0.002 0.000 0.188 95 N C 1.776 177.395 175.510 0.183 0.000 1.029 95 N CA 1.150 54.296 53.050 0.160 0.000 0.848 95 N CB 0.026 38.551 38.487 0.062 0.000 1.007 95 N HN 0.070 nan 8.380 nan 0.000 0.423 96 M N -0.137 119.542 119.600 0.131 0.000 2.159 96 M HA -0.095 4.383 4.480 -0.002 0.000 0.263 96 M C 1.822 178.213 176.300 0.152 0.000 1.063 96 M CA 1.270 56.648 55.300 0.130 0.000 1.110 96 M CB -0.276 32.379 32.600 0.091 0.000 1.374 96 M HN 0.240 nan 8.290 nan 0.000 0.411 97 S N -0.237 115.546 115.700 0.139 0.000 2.528 97 S HA -0.033 4.436 4.470 -0.002 0.000 0.219 97 S C 1.610 176.285 174.600 0.125 0.000 0.985 97 S CA -0.159 58.106 58.200 0.108 0.000 0.914 97 S CB -0.862 62.377 63.200 0.064 0.000 0.776 97 S HN 0.450 nan 8.310 nan 0.000 0.526 98 F N 3.523 123.507 119.950 0.056 0.000 2.045 98 F HA -0.155 4.371 4.527 -0.002 0.000 0.297 98 F C 2.362 178.195 175.800 0.055 0.000 1.114 98 F CA 1.920 59.949 58.000 0.048 0.000 1.207 98 F CB -1.058 38.005 39.000 0.105 0.000 0.964 98 F HN 0.302 nan 8.300 nan 0.000 0.486 99 G N -0.126 108.848 108.800 0.290 0.000 2.450 99 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.220 99 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.220 99 G C 1.391 176.285 174.900 -0.010 0.000 1.130 99 G CA 0.899 46.094 45.100 0.158 0.000 0.760 99 G HN 0.384 nan 8.290 nan 0.000 0.557 100 L N -0.204 121.018 121.223 -0.001 0.000 2.610 100 L HA 0.222 4.561 4.340 -0.002 0.000 0.232 100 L C 2.383 179.207 176.870 -0.076 0.000 1.149 100 L CA 0.783 55.611 54.840 -0.021 0.000 0.872 100 L CB 0.035 42.099 42.059 0.009 0.000 0.992 100 L HN -0.010 nan 8.230 nan 0.000 0.447 101 K N -0.937 119.366 120.400 -0.162 0.000 2.020 101 K HA 0.093 4.412 4.320 -0.002 0.000 0.206 101 K C 1.849 178.331 176.600 -0.197 0.000 1.038 101 K CA 0.806 56.972 56.287 -0.200 0.000 0.947 101 K CB -0.529 31.783 32.500 -0.313 0.000 0.744 101 K HN 0.096 nan 8.250 nan 0.000 0.442 102 L N 1.483 122.545 121.223 -0.270 0.000 2.187 102 L HA -0.103 4.236 4.340 -0.002 0.000 0.213 102 L C 2.333 179.141 176.870 -0.104 0.000 1.100 102 L CA 1.593 56.322 54.840 -0.185 0.000 0.765 102 L CB -1.546 40.403 42.059 -0.184 0.000 0.904 102 L HN 0.126 nan 8.230 nan 0.000 0.437 103 A N -0.964 121.803 122.820 -0.089 0.000 1.969 103 A HA 0.221 4.539 4.320 -0.002 0.000 0.218 103 A C 1.957 179.515 177.584 -0.043 0.000 1.169 103 A CA 1.556 53.564 52.037 -0.049 0.000 0.635 103 A CB -0.575 18.406 19.000 -0.031 0.000 0.810 103 A HN 0.579 nan 8.150 nan 0.000 0.445 104 G N -2.838 105.930 108.800 -0.054 0.000 2.175 104 G HA2 0.231 4.190 3.960 -0.002 0.000 0.182 104 G HA3 0.231 4.190 3.960 -0.002 0.000 0.182 104 G C 0.428 175.308 174.900 -0.034 0.000 1.003 104 G CA 0.270 45.344 45.100 -0.043 0.000 0.666 104 G HN 1.508 nan 8.290 nan 0.000 0.506 105 A N 0.087 122.887 122.820 -0.033 0.000 2.521 105 A HA 0.523 4.841 4.320 -0.002 0.000 0.237 105 A C 0.737 178.308 177.584 -0.022 0.000 1.087 105 A CA 1.024 53.048 52.037 -0.021 0.000 0.777 105 A CB 0.217 19.207 19.000 -0.017 0.000 1.035 105 A HN 0.662 nan 8.150 nan 0.000 0.510 106 K N 0.745 121.136 120.400 -0.014 0.000 2.110 106 K HA 0.307 4.626 4.320 -0.002 0.000 0.263 106 K C 0.374 176.967 176.600 -0.011 0.000 0.975 106 K CA -0.756 55.523 56.287 -0.013 0.000 0.895 106 K CB 1.502 33.997 32.500 -0.009 0.000 1.060 106 K HN 0.607 nan 8.250 nan 0.000 0.448 107 K N 1.396 121.789 120.400 -0.011 0.000 2.160 107 K HA -0.235 4.083 4.320 -0.002 0.000 0.206 107 K C 1.232 177.829 176.600 -0.004 0.000 1.047 107 K CA 1.692 57.974 56.287 -0.008 0.000 0.930 107 K CB 0.031 32.526 32.500 -0.008 0.000 0.720 107 K HN 0.494 nan 8.250 nan 0.000 0.450 108 E N 0.081 120.278 120.200 -0.004 0.000 2.023 108 E HA -0.191 4.158 4.350 -0.002 0.000 0.196 108 E C 2.059 178.659 176.600 0.000 0.000 1.003 108 E CA 1.667 58.066 56.400 -0.002 0.000 0.809 108 E CB -0.545 29.153 29.700 -0.002 0.000 0.755 108 E HN 0.271 nan 8.360 nan 0.000 0.449 109 V N -0.458 119.456 119.914 0.001 0.000 2.343 109 V HA -0.223 3.896 4.120 -0.002 0.000 0.247 109 V C 2.154 178.252 176.094 0.007 0.000 1.051 109 V CA 1.465 63.768 62.300 0.004 0.000 1.036 109 V CB -0.817 31.009 31.823 0.005 0.000 0.654 109 V HN 0.185 nan 8.190 nan 0.000 0.451 110 I N 1.358 121.931 120.570 0.004 0.000 2.052 110 I HA -0.234 3.935 4.170 -0.002 0.000 0.235 110 I C 1.335 177.458 176.117 0.010 0.000 1.046 110 I CA 2.044 63.349 61.300 0.008 0.000 1.308 110 I CB -0.734 37.267 38.000 0.002 0.000 1.031 110 I HN 0.403 nan 8.210 nan 0.000 0.395 111 N N 1.697 120.400 118.700 0.006 0.000 3.210 111 N HA -0.026 4.713 4.740 -0.002 0.000 0.314 111 N C 0.593 176.105 175.510 0.002 0.000 1.291 111 N CA 0.446 53.499 53.050 0.004 0.000 1.202 111 N CB 0.838 39.326 38.487 0.001 0.000 1.475 111 N HN 0.460 nan 8.380 nan 0.000 0.554 112 Q N -0.538 119.265 119.800 0.004 0.000 2.093 112 Q HA 0.211 4.550 4.340 -0.002 0.000 0.188 112 Q C 1.255 177.258 176.000 0.005 0.000 0.697 112 Q CA 0.272 56.077 55.803 0.002 0.000 0.827 112 Q CB 0.262 29.001 28.738 0.003 0.000 1.250 112 Q HN 0.126 nan 8.270 nan 0.000 0.413 113 R N -0.546 119.961 120.500 0.011 0.000 2.246 113 R HA 0.223 4.562 4.340 -0.002 0.000 0.199 113 R C 1.542 177.854 176.300 0.020 0.000 0.984 113 R CA 0.901 57.011 56.100 0.017 0.000 1.015 113 R CB 0.495 30.809 30.300 0.024 0.000 0.930 113 R HN 0.040 nan 8.270 nan 0.000 0.475 114 V N 1.012 120.937 119.914 0.018 0.000 2.788 114 V HA -0.104 4.015 4.120 -0.002 0.000 0.251 114 V C 0.869 176.967 176.094 0.006 0.000 1.068 114 V CA 1.450 63.762 62.300 0.020 0.000 1.090 114 V CB -0.230 31.606 31.823 0.022 0.000 0.710 114 V HN 0.326 nan 8.190 nan 0.000 0.467 115 N N -0.366 118.333 118.700 -0.002 0.000 2.415 115 N HA -0.077 4.662 4.740 -0.002 0.000 0.176 115 N C 1.756 177.257 175.510 -0.015 0.000 1.042 115 N CA 0.449 53.490 53.050 -0.016 0.000 0.902 115 N CB -0.085 38.391 38.487 -0.019 0.000 0.986 115 N HN 0.498 nan 8.380 nan 0.000 0.447 116 Q N 0.765 120.562 119.800 -0.005 0.000 2.096 116 Q HA -0.058 4.281 4.340 -0.002 0.000 0.197 116 Q C 1.820 177.817 176.000 -0.004 0.000 0.964 116 Q CA 1.327 57.127 55.803 -0.005 0.000 0.838 116 Q CB 0.206 28.944 28.738 0.000 0.000 0.906 116 Q HN 0.356 nan 8.270 nan 0.000 0.444 117 V N -1.748 118.169 119.914 0.005 0.000 2.548 117 V HA 0.030 4.149 4.120 -0.002 0.000 0.249 117 V C 2.166 178.262 176.094 0.004 0.000 1.055 117 V CA 1.469 63.775 62.300 0.009 0.000 1.065 117 V CB -1.167 30.674 31.823 0.029 0.000 0.681 117 V HN 0.317 nan 8.190 nan 0.000 0.462 118 A N 0.366 123.185 122.820 -0.001 0.000 2.070 118 A HA -0.153 4.166 4.320 -0.002 0.000 0.220 118 A C 2.132 179.705 177.584 -0.018 0.000 1.159 118 A CA 1.861 53.892 52.037 -0.011 0.000 0.656 118 A CB -0.444 18.540 19.000 -0.027 0.000 0.800 118 A HN 0.739 nan 8.150 nan 0.000 0.453 119 E N -0.283 119.906 120.200 -0.018 0.000 2.030 119 E HA -0.078 4.270 4.350 -0.002 0.000 0.189 119 E C 2.128 178.722 176.600 -0.009 0.000 0.974 119 E CA 1.145 57.536 56.400 -0.015 0.000 0.807 119 E CB -0.424 29.267 29.700 -0.016 0.000 0.771 119 E HN 0.543 nan 8.360 nan 0.000 0.451 120 V N -0.039 119.865 119.914 -0.017 0.000 2.453 120 V HA -0.197 3.922 4.120 -0.002 0.000 0.252 120 V C 1.795 177.874 176.094 -0.024 0.000 1.068 120 V CA 1.460 63.744 62.300 -0.027 0.000 1.070 120 V CB -0.414 31.384 31.823 -0.042 0.000 0.664 120 V HN 0.095 nan 8.190 nan 0.000 0.461 121 L N -0.101 121.115 121.223 -0.012 0.000 2.607 121 L HA 0.379 4.718 4.340 -0.002 0.000 0.228 121 L C 0.914 177.790 176.870 0.011 0.000 1.123 121 L CA 0.279 55.117 54.840 -0.003 0.000 0.890 121 L CB -1.232 40.831 42.059 0.007 0.000 1.103 121 L HN 0.583 nan 8.230 nan 0.000 0.468 122 Q N -0.180 119.630 119.800 0.016 0.000 2.455 122 Q HA -0.207 4.132 4.340 -0.002 0.000 0.343 122 Q C 0.294 176.324 176.000 0.050 0.000 1.458 122 Q CA 0.459 56.286 55.803 0.041 0.000 0.923 122 Q CB -1.475 27.288 28.738 0.042 0.000 1.149 122 Q HN 0.403 nan 8.270 nan 0.000 0.357 123 L N -2.069 119.173 121.223 0.031 0.000 3.217 123 L HA 0.308 4.647 4.340 -0.002 0.000 0.288 123 L C 1.949 178.816 176.870 -0.007 0.000 1.202 123 L CA 0.460 55.317 54.840 0.029 0.000 1.027 123 L CB 0.055 42.127 42.059 0.022 0.000 1.427 123 L HN 0.456 nan 8.230 nan 0.000 0.600 124 A N 0.282 123.056 122.820 -0.076 0.000 1.927 124 A HA -0.239 4.079 4.320 -0.002 0.000 0.220 124 A C 1.787 179.213 177.584 -0.263 0.000 1.185 124 A CA 1.715 53.622 52.037 -0.216 0.000 0.639 124 A CB -0.724 18.055 19.000 -0.369 0.000 0.820 124 A HN 0.502 nan 8.150 nan 0.000 0.451 125 H N -1.495 117.580 119.070 0.008 0.000 2.543 125 H HA 0.281 4.835 4.556 -0.003 0.000 0.269 125 H C 0.963 176.297 175.328 0.010 0.000 1.005 125 H CA 0.625 56.678 56.048 0.008 0.000 1.146 125 H CB 0.081 29.847 29.762 0.006 0.000 1.353 125 H HN 0.432 nan 8.280 nan 0.000 0.595 126 L N -0.252 121.016 121.223 0.075 0.000 3.039 126 L HA 0.084 4.423 4.340 -0.002 0.000 0.269 126 L C 1.808 178.697 176.870 0.032 0.000 1.169 126 L CA 0.062 54.935 54.840 0.056 0.000 0.986 126 L CB 0.530 42.621 42.059 0.054 0.000 1.377 126 L HN 0.084 nan 8.230 nan 0.000 0.575 127 L N 0.849 122.081 121.223 0.014 0.000 1.987 127 L HA -0.256 4.083 4.340 -0.002 0.000 0.230 127 L C 0.752 177.634 176.870 0.021 0.000 1.089 127 L CA 1.821 56.667 54.840 0.011 0.000 0.802 127 L CB -0.640 41.414 42.059 -0.007 0.000 0.905 127 L HN 0.479 nan 8.230 nan 0.000 0.441 128 D N 0.692 121.104 120.400 0.019 0.000 2.608 128 D HA 0.185 4.824 4.640 -0.002 0.000 0.224 128 D C -0.019 176.298 176.300 0.028 0.000 1.123 128 D CA 0.096 54.110 54.000 0.024 0.000 1.030 128 D CB 0.087 40.899 40.800 0.020 0.000 1.093 128 D HN 0.133 nan 8.370 nan 0.000 0.497 129 R N 0.998 121.517 120.500 0.031 0.000 2.808 129 R HA 0.378 4.717 4.340 -0.002 0.000 0.272 129 R C -0.158 176.163 176.300 0.035 0.000 0.995 129 R CA -0.969 55.150 56.100 0.032 0.000 0.917 129 R CB 1.851 32.170 30.300 0.031 0.000 1.217 129 R HN 0.083 nan 8.270 nan 0.000 0.471 130 K N 2.309 122.730 120.400 0.036 0.000 2.144 130 K HA 0.228 4.547 4.320 -0.002 0.000 0.270 130 K C -1.656 174.960 176.600 0.027 0.000 1.005 130 K CA -2.048 54.264 56.287 0.043 0.000 0.932 130 K CB 1.078 33.612 32.500 0.057 0.000 1.021 130 K HN 0.265 nan 8.250 nan 0.000 0.462 131 P HA -0.233 nan 4.420 nan 0.000 0.215 131 P C 1.092 178.390 177.300 -0.003 0.000 1.153 131 P CA 1.427 64.525 63.100 -0.005 0.000 0.853 131 P CB 0.279 31.960 31.700 -0.031 0.000 0.788 132 K N 0.624 121.025 120.400 0.002 0.000 2.293 132 K HA -0.145 4.174 4.320 -0.002 0.000 0.204 132 K C 1.608 178.214 176.600 0.010 0.000 1.045 132 K CA 1.546 57.836 56.287 0.004 0.000 0.933 132 K CB -0.396 32.116 32.500 0.019 0.000 0.736 132 K HN 0.060 nan 8.250 nan 0.000 0.463 133 A N 0.684 123.513 122.820 0.014 0.000 2.348 133 A HA 0.284 4.603 4.320 -0.002 0.000 0.224 133 A C 0.323 177.915 177.584 0.013 0.000 1.227 133 A CA -0.437 51.609 52.037 0.015 0.000 0.885 133 A CB 0.227 19.239 19.000 0.020 0.000 0.933 133 A HN 0.165 nan 8.150 nan 0.000 0.506 134 L N 1.159 122.387 121.223 0.009 0.000 2.343 134 L HA 0.390 4.729 4.340 -0.002 0.000 0.275 134 L C 0.901 177.774 176.870 0.006 0.000 1.056 134 L CA -0.643 54.203 54.840 0.009 0.000 0.804 134 L CB 1.825 43.889 42.059 0.008 0.000 1.203 134 L HN 0.347 nan 8.230 nan 0.000 0.440 135 S N 0.886 116.591 115.700 0.008 0.000 2.624 135 S HA 0.241 4.710 4.470 -0.002 0.000 0.263 135 S C 1.185 175.789 174.600 0.007 0.000 1.287 135 S CA -0.142 58.062 58.200 0.007 0.000 0.990 135 S CB 1.387 64.592 63.200 0.008 0.000 0.950 135 S HN 0.772 nan 8.310 nan 0.000 0.561 136 G N 0.627 109.431 108.800 0.006 0.000 2.421 136 G HA2 -0.012 3.947 3.960 -0.002 0.000 0.216 136 G HA3 -0.012 3.947 3.960 -0.002 0.000 0.216 136 G C 1.412 176.320 174.900 0.013 0.000 1.171 136 G CA 0.602 45.706 45.100 0.008 0.000 0.775 136 G HN 1.043 nan 8.290 nan 0.000 0.543 137 G N 0.812 109.620 108.800 0.014 0.000 2.442 137 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.219 137 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.219 137 G C 1.783 176.695 174.900 0.019 0.000 1.141 137 G CA 1.286 46.396 45.100 0.017 0.000 0.763 137 G HN 0.664 nan 8.290 nan 0.000 0.554 138 Q N -0.743 119.068 119.800 0.018 0.000 2.408 138 Q HA 0.269 4.608 4.340 -0.002 0.000 0.205 138 Q C 2.314 178.326 176.000 0.019 0.000 0.919 138 Q CA -0.073 55.742 55.803 0.020 0.000 0.932 138 Q CB 0.053 28.804 28.738 0.021 0.000 1.058 138 Q HN 0.332 nan 8.270 nan 0.000 0.517 139 R N 0.908 121.417 120.500 0.014 0.000 2.119 139 R HA -0.064 4.275 4.340 -0.002 0.000 0.222 139 R C 2.234 178.544 176.300 0.017 0.000 1.088 139 R CA 1.362 57.466 56.100 0.007 0.000 0.984 139 R CB 0.046 30.344 30.300 -0.004 0.000 0.884 139 R HN 0.355 nan 8.270 nan 0.000 0.447 140 Q N 0.632 120.448 119.800 0.027 0.000 2.050 140 Q HA -0.168 4.170 4.340 -0.002 0.000 0.202 140 Q C 1.920 177.952 176.000 0.054 0.000 0.980 140 Q CA 1.534 57.362 55.803 0.042 0.000 0.840 140 Q CB 0.132 28.895 28.738 0.043 0.000 0.898 140 Q HN 0.214 nan 8.270 nan 0.000 0.424 141 R N -0.613 119.914 120.500 0.045 0.000 2.120 141 R HA -0.102 4.237 4.340 -0.002 0.000 0.234 141 R C 2.247 178.581 176.300 0.056 0.000 1.123 141 R CA 1.276 57.405 56.100 0.049 0.000 0.975 141 R CB -0.132 30.188 30.300 0.035 0.000 0.866 141 R HN 0.186 nan 8.270 nan 0.000 0.446 142 V N 0.887 120.828 119.914 0.045 0.000 2.407 142 V HA -0.241 3.878 4.120 -0.002 0.000 0.248 142 V C 2.435 178.568 176.094 0.065 0.000 1.055 142 V CA 1.887 64.214 62.300 0.045 0.000 1.049 142 V CB -0.678 31.158 31.823 0.022 0.000 0.662 142 V HN 0.385 nan 8.190 nan 0.000 0.455 143 A N 0.262 123.124 122.820 0.070 0.000 1.877 143 A HA -0.180 4.139 4.320 -0.002 0.000 0.216 143 A C 2.179 179.852 177.584 0.149 0.000 1.186 143 A CA 1.987 54.086 52.037 0.104 0.000 0.620 143 A CB -0.540 18.520 19.000 0.100 0.000 0.822 143 A HN 0.505 nan 8.150 nan 0.000 0.443 144 I N -0.285 120.379 120.570 0.156 0.000 2.226 144 I HA -0.202 3.966 4.170 -0.002 0.000 0.245 144 I C 2.655 178.893 176.117 0.203 0.000 1.100 144 I CA 1.134 62.571 61.300 0.229 0.000 1.374 144 I CB -0.643 37.478 38.000 0.202 0.000 1.057 144 I HN 0.403 nan 8.210 nan 0.000 0.413 145 G N 0.613 109.492 108.800 0.132 0.000 2.422 145 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.218 145 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.218 145 G C 1.732 176.707 174.900 0.125 0.000 1.140 145 G CA 0.658 45.823 45.100 0.107 0.000 0.775 145 G HN 0.256 nan 8.290 nan 0.000 0.545 146 R N 0.464 121.046 120.500 0.138 0.000 2.083 146 R HA -0.114 4.225 4.340 -0.002 0.000 0.237 146 R C 2.808 179.212 176.300 0.174 0.000 1.137 146 R CA 2.316 58.509 56.100 0.156 0.000 0.951 146 R CB -0.688 29.712 30.300 0.167 0.000 0.851 146 R HN 0.399 nan 8.270 nan 0.000 0.434 147 T N -1.728 112.944 114.554 0.196 0.000 3.055 147 T HA 0.031 4.380 4.350 -0.002 0.000 0.265 147 T C 1.779 176.601 174.700 0.203 0.000 1.111 147 T CA 0.689 62.906 62.100 0.195 0.000 1.118 147 T CB -0.057 68.910 68.868 0.164 0.000 0.909 147 T HN 0.235 nan 8.240 nan 0.000 0.501 148 L N 1.489 122.836 121.223 0.206 0.000 2.341 148 L HA 0.123 4.462 4.340 -0.002 0.000 0.214 148 L C 2.760 179.697 176.870 0.111 0.000 1.115 148 L CA 0.603 55.544 54.840 0.167 0.000 0.820 148 L CB -0.206 41.928 42.059 0.125 0.000 0.944 148 L HN 0.336 nan 8.230 nan 0.000 0.452 149 V N -3.579 116.397 119.914 0.104 0.000 3.041 149 V HA 0.055 4.174 4.120 -0.002 0.000 0.260 149 V C 2.233 178.372 176.094 0.075 0.000 1.105 149 V CA 1.192 63.540 62.300 0.079 0.000 1.125 149 V CB -0.714 31.154 31.823 0.075 0.000 0.730 149 V HN 0.257 nan 8.190 nan 0.000 0.479 150 A N -0.371 122.503 122.820 0.090 0.000 2.235 150 A HA 0.089 4.408 4.320 -0.002 0.000 0.208 150 A C 0.977 178.605 177.584 0.073 0.000 1.172 150 A CA 0.535 52.619 52.037 0.078 0.000 0.786 150 A CB -0.768 18.285 19.000 0.088 0.000 0.804 150 A HN 0.768 nan 8.150 nan 0.000 0.479 151 E N -0.138 120.109 120.200 0.079 0.000 2.273 151 E HA -0.144 4.204 4.350 -0.002 0.000 0.177 151 E C -2.163 174.484 176.600 0.077 0.000 1.511 151 E CA 0.368 56.811 56.400 0.072 0.000 0.675 151 E CB -1.399 28.332 29.700 0.051 0.000 1.094 151 E HN 0.677 nan 8.360 nan 0.000 0.348 152 P HA 0.089 nan 4.420 nan 0.000 0.276 152 P C 0.331 177.690 177.300 0.098 0.000 1.252 152 P CA -0.312 62.848 63.100 0.100 0.000 0.802 152 P CB 1.289 33.063 31.700 0.123 0.000 1.035 153 S N -1.011 114.741 115.700 0.087 0.000 2.523 153 S HA 0.223 4.692 4.470 -0.002 0.000 0.217 153 S C 0.461 175.117 174.600 0.094 0.000 0.996 153 S CA -0.206 58.043 58.200 0.082 0.000 0.921 153 S CB 0.004 63.246 63.200 0.069 0.000 0.829 153 S HN 0.253 nan 8.310 nan 0.000 0.495 154 V N 2.608 122.583 119.914 0.101 0.000 2.488 154 V HA 0.463 4.582 4.120 -0.002 0.000 0.293 154 V C -1.386 174.780 176.094 0.119 0.000 1.027 154 V CA -0.781 61.580 62.300 0.101 0.000 0.862 154 V CB 1.310 33.174 31.823 0.068 0.000 1.008 154 V HN 0.478 nan 8.190 nan 0.000 0.428 155 F N 6.469 126.412 119.950 -0.012 0.000 2.411 155 F HA 0.705 5.233 4.527 0.000 0.000 0.350 155 F C -0.456 175.323 175.800 -0.035 0.000 1.114 155 F CA -0.336 57.650 58.000 -0.023 0.000 1.135 155 F CB 0.759 39.729 39.000 -0.050 0.000 1.120 155 F HN 0.323 nan 8.300 nan 0.000 0.495 156 L N 7.651 128.577 121.223 -0.496 0.000 2.356 156 L HA 0.542 4.881 4.340 -0.002 0.000 0.277 156 L C -1.366 175.234 176.870 -0.451 0.000 0.996 156 L CA -1.066 53.570 54.840 -0.340 0.000 0.822 156 L CB 1.770 43.687 42.059 -0.236 0.000 1.256 156 L HN 0.520 nan 8.230 nan 0.000 0.413 157 L N 2.528 123.640 121.223 -0.185 0.000 2.386 157 L HA 0.641 4.979 4.340 -0.002 0.000 0.271 157 L C -0.825 176.037 176.870 -0.013 0.000 0.993 157 L CA 0.015 54.822 54.840 -0.055 0.000 0.819 157 L CB 1.833 44.025 42.059 0.221 0.000 1.294 157 L HN 0.464 nan 8.230 nan 0.000 0.414 158 D N 1.776 122.137 120.400 -0.064 0.000 2.487 158 D HA 0.236 4.875 4.640 -0.002 0.000 0.262 158 D C -0.641 175.604 176.300 -0.092 0.000 1.130 158 D CA -0.328 53.604 54.000 -0.113 0.000 1.038 158 D CB 1.221 41.952 40.800 -0.114 0.000 1.142 158 D HN 0.552 nan 8.370 nan 0.000 0.575 159 E N 0.585 120.705 120.200 -0.134 0.000 2.480 159 E HA 0.093 4.441 4.350 -0.002 0.000 0.258 159 E C -1.999 174.618 176.600 0.029 0.000 0.984 159 E CA -0.949 55.406 56.400 -0.076 0.000 0.930 159 E CB 0.537 30.211 29.700 -0.044 0.000 0.936 159 E HN 0.155 nan 8.360 nan 0.000 0.466 160 P HA 0.018 nan 4.420 nan 0.000 0.276 160 P C 0.037 177.379 177.300 0.070 0.000 1.253 160 P CA -0.169 62.993 63.100 0.103 0.000 0.766 160 P CB 0.483 32.271 31.700 0.146 0.000 0.845 161 L N 1.438 122.688 121.223 0.044 0.000 2.784 161 L HA -0.081 4.258 4.340 -0.002 0.000 0.247 161 L C 1.479 178.369 176.870 0.033 0.000 1.162 161 L CA 1.245 56.101 54.840 0.028 0.000 0.881 161 L CB -1.456 40.613 42.059 0.016 0.000 1.032 161 L HN 0.309 nan 8.230 nan 0.000 0.446 162 S N -0.097 115.634 115.700 0.051 0.000 2.071 162 S HA 0.122 4.590 4.470 -0.002 0.000 0.187 162 S C 0.870 175.502 174.600 0.053 0.000 1.376 162 S CA 0.013 58.243 58.200 0.050 0.000 1.398 162 S CB 0.080 63.316 63.200 0.060 0.000 0.641 162 S HN 0.446 nan 8.310 nan 0.000 0.392 163 N N 0.467 119.204 118.700 0.063 0.000 3.211 163 N HA 0.143 4.882 4.740 -0.002 0.000 0.183 163 N C 0.080 175.632 175.510 0.070 0.000 1.447 163 N CA 0.069 53.160 53.050 0.068 0.000 0.840 163 N CB 0.090 38.602 38.487 0.042 0.000 1.611 163 N HN 0.416 nan 8.380 nan 0.000 0.610 164 L N -0.248 121.029 121.223 0.090 0.000 4.990 164 L HA -0.371 3.968 4.340 -0.002 0.000 0.435 164 L C 1.365 178.259 176.870 0.039 0.000 0.965 164 L CA 2.553 57.433 54.840 0.066 0.000 0.773 164 L CB -0.562 41.531 42.059 0.057 0.000 1.260 164 L HN 0.571 nan 8.230 nan 0.000 0.884 165 D N -1.011 119.409 120.400 0.034 0.000 2.479 165 D HA 0.115 4.754 4.640 -0.002 0.000 0.221 165 D C 0.899 177.212 176.300 0.022 0.000 1.104 165 D CA 0.560 54.572 54.000 0.021 0.000 0.849 165 D CB 0.172 40.981 40.800 0.015 0.000 1.072 165 D HN 0.257 nan 8.370 nan 0.000 0.502 166 A N 1.246 124.083 122.820 0.029 0.000 2.553 166 A HA 0.410 4.729 4.320 -0.002 0.000 0.258 166 A C 1.775 179.375 177.584 0.026 0.000 1.069 166 A CA 0.536 52.589 52.037 0.026 0.000 0.767 166 A CB 0.162 19.181 19.000 0.032 0.000 0.997 166 A HN 0.320 nan 8.150 nan 0.000 0.512 167 A N 2.949 125.780 122.820 0.019 0.000 1.954 167 A HA -0.225 4.093 4.320 -0.002 0.000 0.222 167 A C 1.952 179.549 177.584 0.021 0.000 1.199 167 A CA 2.112 54.160 52.037 0.017 0.000 0.657 167 A CB -0.552 18.455 19.000 0.012 0.000 0.823 167 A HN 1.293 nan 8.150 nan 0.000 0.463 168 L N -0.712 120.526 121.223 0.024 0.000 2.191 168 L HA -0.076 4.263 4.340 -0.002 0.000 0.212 168 L C 2.384 179.277 176.870 0.038 0.000 1.103 168 L CA 2.296 57.153 54.840 0.029 0.000 0.769 168 L CB -0.441 41.635 42.059 0.029 0.000 0.908 168 L HN 0.509 nan 8.230 nan 0.000 0.438 169 R N -1.842 118.685 120.500 0.044 0.000 2.210 169 R HA 0.001 4.340 4.340 -0.002 0.000 0.203 169 R C 1.852 178.179 176.300 0.046 0.000 1.010 169 R CA 0.813 56.949 56.100 0.060 0.000 1.008 169 R CB 0.082 30.427 30.300 0.075 0.000 0.923 169 R HN 0.287 nan 8.270 nan 0.000 0.469 170 V N 1.049 120.982 119.914 0.031 0.000 2.453 170 V HA -0.186 3.933 4.120 -0.002 0.000 0.247 170 V C 2.169 178.271 176.094 0.014 0.000 1.048 170 V CA 1.305 63.617 62.300 0.019 0.000 1.049 170 V CB -0.338 31.493 31.823 0.014 0.000 0.672 170 V HN 0.316 nan 8.190 nan 0.000 0.457 171 Q N -0.561 119.249 119.800 0.017 0.000 2.002 171 Q HA -0.241 4.098 4.340 -0.002 0.000 0.204 171 Q C 2.211 178.218 176.000 0.012 0.000 0.988 171 Q CA 2.028 57.839 55.803 0.014 0.000 0.843 171 Q CB -0.735 28.014 28.738 0.018 0.000 0.908 171 Q HN 0.571 nan 8.270 nan 0.000 0.420 172 M N 0.887 120.501 119.600 0.023 0.000 2.088 172 M HA -0.241 4.238 4.480 -0.002 0.000 0.256 172 M C 2.147 178.437 176.300 -0.016 0.000 1.071 172 M CA 1.879 57.193 55.300 0.024 0.000 1.097 172 M CB -0.329 32.306 32.600 0.059 0.000 1.315 172 M HN 0.110 nan 8.290 nan 0.000 0.406 173 R N -0.306 120.180 120.500 -0.022 0.000 2.105 173 R HA -0.151 4.188 4.340 -0.002 0.000 0.239 173 R C 2.067 178.345 176.300 -0.037 0.000 1.135 173 R CA 2.087 58.151 56.100 -0.058 0.000 0.967 173 R CB -0.477 29.806 30.300 -0.028 0.000 0.861 173 R HN 0.546 nan 8.270 nan 0.000 0.442 174 I N -0.037 120.523 120.570 -0.017 0.000 2.286 174 I HA -0.171 3.998 4.170 -0.002 0.000 0.245 174 I C 2.252 178.357 176.117 -0.019 0.000 1.104 174 I CA 0.912 62.206 61.300 -0.011 0.000 1.397 174 I CB -0.234 37.763 38.000 -0.005 0.000 1.072 174 I HN 0.159 nan 8.210 nan 0.000 0.417 175 E N 1.643 121.828 120.200 -0.024 0.000 2.077 175 E HA -0.170 4.179 4.350 -0.002 0.000 0.193 175 E C 2.082 178.637 176.600 -0.074 0.000 0.989 175 E CA 1.378 57.756 56.400 -0.037 0.000 0.800 175 E CB -0.201 29.488 29.700 -0.018 0.000 0.746 175 E HN 0.403 nan 8.360 nan 0.000 0.452 176 I N 0.454 120.975 120.570 -0.081 0.000 2.127 176 I HA -0.347 3.822 4.170 -0.002 0.000 0.241 176 I C 2.386 178.419 176.117 -0.140 0.000 1.075 176 I CA 1.679 62.894 61.300 -0.142 0.000 1.334 176 I CB -0.615 37.302 38.000 -0.138 0.000 1.040 176 I HN 0.177 nan 8.210 nan 0.000 0.405 177 S N 0.734 116.429 115.700 -0.009 0.000 2.383 177 S HA -0.223 4.246 4.470 -0.002 0.000 0.227 177 S C 2.078 176.688 174.600 0.017 0.000 1.026 177 S CA 0.957 59.204 58.200 0.078 0.000 0.981 177 S CB -0.556 62.710 63.200 0.111 0.000 0.818 177 S HN 0.386 nan 8.310 nan 0.000 0.472 178 R N 0.605 121.090 120.500 -0.025 0.000 2.073 178 R HA -0.031 4.307 4.340 -0.002 0.000 0.234 178 R C 2.364 178.617 176.300 -0.078 0.000 1.134 178 R CA 1.483 57.559 56.100 -0.041 0.000 0.952 178 R CB -0.560 29.716 30.300 -0.040 0.000 0.850 178 R HN 0.431 nan 8.270 nan 0.000 0.433 179 L N 0.654 121.802 121.223 -0.125 0.000 2.079 179 L HA -0.220 4.119 4.340 -0.002 0.000 0.210 179 L C 2.304 179.065 176.870 -0.181 0.000 1.081 179 L CA 1.992 56.716 54.840 -0.193 0.000 0.752 179 L CB -0.765 41.100 42.059 -0.324 0.000 0.896 179 L HN 0.328 nan 8.230 nan 0.000 0.433 180 H N -0.295 118.595 119.070 -0.300 0.000 2.299 180 H HA -0.134 4.423 4.556 0.002 0.000 0.302 180 H C 0.910 176.150 175.328 -0.146 0.000 1.078 180 H CA 1.027 56.903 56.048 -0.286 0.000 1.323 180 H CB 0.285 29.842 29.762 -0.341 0.000 1.381 180 H HN 0.159 nan 8.280 nan 0.000 0.498 181 K N 0.238 120.541 120.400 -0.163 0.000 2.278 181 K HA 0.002 4.321 4.320 -0.002 0.000 0.237 181 K C 0.306 176.831 176.600 -0.124 0.000 1.229 181 K CA 0.014 56.196 56.287 -0.176 0.000 1.155 181 K CB 0.265 32.714 32.500 -0.085 0.000 1.590 181 K HN 0.243 nan 8.250 nan 0.000 0.290 182 R N 1.567 121.983 120.500 -0.139 0.000 2.113 182 R HA 0.061 4.400 4.340 -0.002 0.000 0.031 182 R C 0.138 176.380 176.300 -0.096 0.000 0.819 182 R CA 0.258 56.298 56.100 -0.099 0.000 3.350 182 R CB -0.287 29.958 30.300 -0.092 0.000 0.923 182 R HN 0.417 nan 8.270 nan 0.000 0.559 183 L N 0.142 121.297 121.223 -0.113 0.000 2.609 183 L HA 0.479 4.818 4.340 -0.002 0.000 0.230 183 L C 1.102 177.924 176.870 -0.080 0.000 1.087 183 L CA 0.386 55.174 54.840 -0.087 0.000 0.874 183 L CB 0.622 42.624 42.059 -0.094 0.000 1.114 183 L HN 0.551 nan 8.230 nan 0.000 0.488 184 G N 1.694 110.417 108.800 -0.128 0.000 2.269 184 G HA2 -0.324 3.634 3.960 -0.002 0.000 0.277 184 G HA3 -0.324 3.634 3.960 -0.002 0.000 0.277 184 G C 0.417 175.317 174.900 -0.000 0.000 1.008 184 G CA 0.448 45.467 45.100 -0.136 0.000 0.774 184 G HN 0.373 nan 8.290 nan 0.000 0.511 185 R N -0.286 120.230 120.500 0.026 0.000 2.577 185 R HA 0.463 4.802 4.340 -0.002 0.000 0.269 185 R C 0.447 176.807 176.300 0.099 0.000 1.084 185 R CA -0.099 56.035 56.100 0.056 0.000 1.163 185 R CB 0.306 30.625 30.300 0.031 0.000 1.100 185 R HN 0.143 nan 8.270 nan 0.000 0.547 186 T N 2.535 117.147 114.554 0.098 0.000 2.853 186 T HA 0.167 4.516 4.350 -0.002 0.000 0.298 186 T C 0.211 174.961 174.700 0.084 0.000 0.978 186 T CA 0.483 62.644 62.100 0.101 0.000 1.152 186 T CB 0.196 69.124 68.868 0.100 0.000 0.914 186 T HN 0.279 nan 8.240 nan 0.000 0.539 187 M N 3.406 123.027 119.600 0.035 0.000 2.518 187 M HA 0.569 5.048 4.480 -0.002 0.000 0.300 187 M C -0.946 175.421 176.300 0.112 0.000 1.175 187 M CA -0.716 54.609 55.300 0.042 0.000 0.890 187 M CB 2.482 34.911 32.600 -0.284 0.000 1.710 187 M HN 0.412 nan 8.290 nan 0.000 0.453 188 I N 2.033 122.661 120.570 0.096 0.000 2.497 188 I HA 0.337 4.505 4.170 -0.002 0.000 0.284 188 I C -1.680 174.449 176.117 0.019 0.000 1.060 188 I CA -0.701 60.572 61.300 -0.044 0.000 1.071 188 I CB 1.611 39.444 38.000 -0.278 0.000 1.216 188 I HN 0.587 nan 8.210 nan 0.000 0.442 189 Y N 6.968 127.243 120.300 -0.042 0.000 2.446 189 Y HA 0.740 5.289 4.550 -0.001 0.000 0.338 189 Y C -1.009 174.836 175.900 -0.092 0.000 1.055 189 Y CA -0.789 57.317 58.100 0.010 0.000 1.101 189 Y CB 1.733 40.325 38.460 0.220 0.000 1.221 189 Y HN 0.215 nan 8.280 nan 0.000 0.460 190 V N 4.533 123.994 119.914 -0.754 0.000 2.540 190 V HA 0.693 4.812 4.120 -0.002 0.000 0.302 190 V C -0.379 175.301 176.094 -0.690 0.000 1.035 190 V CA -0.507 61.497 62.300 -0.494 0.000 0.873 190 V CB 1.528 33.222 31.823 -0.216 0.000 0.992 190 V HN 0.897 nan 8.190 nan 0.000 0.428 191 T N 1.074 115.448 114.554 -0.299 0.000 2.802 191 T HA 0.375 4.724 4.350 -0.002 0.000 0.311 191 T C 0.138 174.872 174.700 0.056 0.000 1.405 191 T CA -0.207 61.813 62.100 -0.133 0.000 1.016 191 T CB 1.659 70.477 68.868 -0.083 0.000 1.352 191 T HN 0.947 nan 8.240 nan 0.000 0.498 192 H N 0.737 119.830 119.070 0.039 0.000 2.740 192 H HA 0.270 4.825 4.556 -0.002 0.000 0.265 192 H C -0.082 175.309 175.328 0.105 0.000 0.978 192 H CA -0.063 56.050 56.048 0.108 0.000 1.198 192 H CB 0.196 30.002 29.762 0.073 0.000 1.467 192 H HN 0.493 nan 8.280 nan 0.000 0.511 193 D N 2.130 122.145 120.400 -0.641 0.000 2.316 193 D HA -0.040 4.599 4.640 -0.002 0.000 0.245 193 D C 1.575 177.758 176.300 -0.194 0.000 1.171 193 D CA -0.309 53.387 54.000 -0.508 0.000 0.856 193 D CB 1.289 41.811 40.800 -0.465 0.000 1.090 193 D HN 0.187 nan 8.370 nan 0.000 0.476 194 Q N 3.481 123.149 119.800 -0.221 0.000 2.135 194 Q HA -0.147 4.192 4.340 -0.002 0.000 0.204 194 Q C 1.094 177.045 176.000 -0.081 0.000 0.981 194 Q CA 1.587 57.309 55.803 -0.136 0.000 0.856 194 Q CB 0.019 28.551 28.738 -0.342 0.000 0.902 194 Q HN 0.508 nan 8.270 nan 0.000 0.425 195 V N 1.179 121.028 119.914 -0.109 0.000 2.358 195 V HA -0.209 3.910 4.120 -0.002 0.000 0.246 195 V C 2.345 178.409 176.094 -0.050 0.000 1.047 195 V CA 2.043 64.297 62.300 -0.077 0.000 1.035 195 V CB -0.635 31.139 31.823 -0.081 0.000 0.658 195 V HN 0.409 nan 8.190 nan 0.000 0.452 196 E N 0.084 120.259 120.200 -0.040 0.000 2.085 196 E HA -0.254 4.094 4.350 -0.002 0.000 0.194 196 E C 2.262 178.862 176.600 -0.000 0.000 0.994 196 E CA 1.453 57.854 56.400 0.002 0.000 0.801 196 E CB -0.235 29.502 29.700 0.061 0.000 0.743 196 E HN 0.594 nan 8.360 nan 0.000 0.453 197 A N 0.779 123.604 122.820 0.009 0.000 1.858 197 A HA -0.196 4.123 4.320 -0.002 0.000 0.216 197 A C 2.122 179.683 177.584 -0.039 0.000 1.190 197 A CA 1.605 53.642 52.037 -0.000 0.000 0.617 197 A CB -0.406 18.627 19.000 0.055 0.000 0.827 197 A HN 0.235 nan 8.150 nan 0.000 0.443 198 M N 0.022 119.607 119.600 -0.024 0.000 2.358 198 M HA -0.093 4.385 4.480 -0.002 0.000 0.264 198 M C 1.949 178.217 176.300 -0.053 0.000 1.064 198 M CA 1.744 57.023 55.300 -0.035 0.000 1.093 198 M CB -1.705 30.870 32.600 -0.043 0.000 1.401 198 M HN 0.479 nan 8.290 nan 0.000 0.440 199 T N 0.737 115.257 114.554 -0.057 0.000 2.852 199 T HA 0.076 4.425 4.350 -0.002 0.000 0.256 199 T C 1.976 176.638 174.700 -0.063 0.000 1.038 199 T CA 0.886 62.955 62.100 -0.052 0.000 1.141 199 T CB -0.015 68.829 68.868 -0.041 0.000 0.869 199 T HN 0.333 nan 8.240 nan 0.000 0.439 200 L N 0.327 121.471 121.223 -0.131 0.000 2.408 200 L HA 0.427 4.765 4.340 -0.002 0.000 0.215 200 L C 1.407 177.992 176.870 -0.474 0.000 1.081 200 L CA -0.292 54.413 54.840 -0.225 0.000 0.840 200 L CB -0.444 41.395 42.059 -0.366 0.000 1.002 200 L HN 0.086 nan 8.230 nan 0.000 0.468 201 A N 0.280 122.841 122.820 -0.432 0.000 2.445 201 A HA 0.064 4.383 4.320 -0.002 0.000 0.242 201 A C 0.472 177.979 177.584 -0.128 0.000 1.075 201 A CA -0.106 51.692 52.037 -0.398 0.000 0.777 201 A CB 0.294 19.172 19.000 -0.203 0.000 1.013 201 A HN 0.126 nan 8.150 nan 0.000 0.493 202 D N -0.299 120.072 120.400 -0.047 0.000 2.324 202 D HA 0.126 4.765 4.640 -0.002 0.000 0.212 202 D C 0.335 176.685 176.300 0.083 0.000 0.984 202 D CA 1.118 55.170 54.000 0.087 0.000 0.885 202 D CB 0.359 41.269 40.800 0.184 0.000 0.996 202 D HN 0.599 nan 8.370 nan 0.000 0.505 203 K N 0.423 120.858 120.400 0.057 0.000 2.525 203 K HA 0.437 4.755 4.320 -0.002 0.000 0.254 203 K C -1.669 174.968 176.600 0.061 0.000 0.934 203 K CA -0.463 55.871 56.287 0.079 0.000 0.802 203 K CB 1.796 34.361 32.500 0.109 0.000 1.295 203 K HN -0.191 nan 8.250 nan 0.000 0.433 204 I N 3.607 124.224 120.570 0.080 0.000 2.474 204 I HA 0.337 4.506 4.170 -0.002 0.000 0.294 204 I C -0.685 175.501 176.117 0.115 0.000 1.005 204 I CA -1.236 60.119 61.300 0.092 0.000 1.113 204 I CB 2.102 40.151 38.000 0.080 0.000 1.289 204 I HN 0.366 nan 8.210 nan 0.000 0.436 205 V N 7.528 127.532 119.914 0.150 0.000 2.349 205 V HA 0.428 4.547 4.120 -0.002 0.000 0.284 205 V C -0.503 175.603 176.094 0.019 0.000 1.014 205 V CA -0.386 61.962 62.300 0.080 0.000 0.826 205 V CB 1.561 33.414 31.823 0.050 0.000 1.009 205 V HN 0.434 nan 8.190 nan 0.000 0.431 206 V N 8.183 128.089 119.914 -0.014 0.000 2.508 206 V HA 0.339 4.458 4.120 -0.002 0.000 0.281 206 V C 0.317 176.338 176.094 -0.121 0.000 1.041 206 V CA 0.092 62.338 62.300 -0.090 0.000 1.016 206 V CB 0.988 32.768 31.823 -0.073 0.000 0.984 206 V HN 0.784 nan 8.190 nan 0.000 0.478 207 L N 4.593 125.716 121.223 -0.166 0.000 2.334 207 L HA 0.690 5.029 4.340 -0.002 0.000 0.276 207 L C -0.749 175.993 176.870 -0.214 0.000 1.014 207 L CA -0.400 54.329 54.840 -0.186 0.000 0.815 207 L CB 2.020 43.966 42.059 -0.187 0.000 1.268 207 L HN 0.609 nan 8.230 nan 0.000 0.428 208 D N 2.212 122.433 120.400 -0.298 0.000 2.890 208 D HA 0.516 5.155 4.640 -0.002 0.000 0.233 208 D C -0.028 176.073 176.300 -0.332 0.000 1.306 208 D CA 0.147 53.875 54.000 -0.454 0.000 0.929 208 D CB 1.799 41.961 40.800 -1.063 0.000 1.512 208 D HN 0.746 nan 8.370 nan 0.000 0.568 209 A N 2.911 125.586 122.820 -0.242 0.000 2.745 209 A HA 0.132 4.451 4.320 -0.002 0.000 0.296 209 A C 1.630 179.120 177.584 -0.157 0.000 1.500 209 A CA 1.902 53.833 52.037 -0.178 0.000 0.766 209 A CB -2.090 16.798 19.000 -0.187 0.000 1.030 209 A HN 1.942 nan 8.150 nan 0.000 0.489 210 G N -2.332 106.375 108.800 -0.155 0.000 2.184 210 G HA2 -0.318 3.640 3.960 -0.002 0.000 0.264 210 G HA3 -0.318 3.640 3.960 -0.002 0.000 0.264 210 G C 0.290 175.101 174.900 -0.149 0.000 0.975 210 G CA 1.177 46.191 45.100 -0.143 0.000 0.642 210 G HN 1.257 nan 8.290 nan 0.000 0.536 211 R N -0.853 119.548 120.500 -0.165 0.000 2.782 211 R HA 0.652 4.991 4.340 -0.002 0.000 0.258 211 R C -0.348 175.852 176.300 -0.167 0.000 1.055 211 R CA -0.810 55.200 56.100 -0.151 0.000 1.065 211 R CB 1.641 31.857 30.300 -0.140 0.000 1.172 211 R HN 0.056 nan 8.270 nan 0.000 0.510 212 V N 1.989 121.820 119.914 -0.137 0.000 2.364 212 V HA 0.131 4.250 4.120 -0.002 0.000 0.272 212 V C 0.946 176.983 176.094 -0.094 0.000 1.036 212 V CA 0.149 62.374 62.300 -0.125 0.000 0.880 212 V CB 0.895 32.658 31.823 -0.101 0.000 0.991 212 V HN 1.011 nan 8.190 nan 0.000 0.460 213 A N 4.268 127.034 122.820 -0.090 0.000 1.897 213 A HA 0.057 4.376 4.320 -0.002 0.000 0.215 213 A C 0.887 178.486 177.584 0.024 0.000 1.181 213 A CA 1.073 53.089 52.037 -0.035 0.000 0.620 213 A CB 0.084 19.106 19.000 0.038 0.000 0.821 213 A HN 0.766 nan 8.150 nan 0.000 0.443 214 Q N -2.380 117.435 119.800 0.025 0.000 2.647 214 Q HA 0.523 4.862 4.340 -0.002 0.000 0.283 214 Q C -2.341 173.687 176.000 0.047 0.000 0.943 214 Q CA -0.535 55.300 55.803 0.053 0.000 0.813 214 Q CB 1.850 30.645 28.738 0.095 0.000 1.477 214 Q HN 0.157 nan 8.270 nan 0.000 0.393 215 V N 1.059 121.010 119.914 0.061 0.000 2.789 215 V HA 1.005 5.123 4.120 -0.002 0.000 0.311 215 V C 0.090 176.239 176.094 0.092 0.000 1.073 215 V CA 0.305 62.646 62.300 0.068 0.000 0.921 215 V CB 1.643 33.497 31.823 0.053 0.000 1.009 215 V HN 1.004 nan 8.190 nan 0.000 0.426 216 G N 3.000 111.862 108.800 0.103 0.000 2.327 216 G HA2 0.270 4.228 3.960 -0.002 0.000 0.291 216 G HA3 0.270 4.228 3.960 -0.002 0.000 0.291 216 G C -1.585 173.386 174.900 0.118 0.000 1.290 216 G CA -1.023 44.147 45.100 0.118 0.000 0.857 216 G HN 0.580 nan 8.290 nan 0.000 0.520 217 K N 0.703 121.181 120.400 0.129 0.000 2.168 217 K HA 0.340 4.659 4.320 -0.002 0.000 0.258 217 K C -1.573 175.100 176.600 0.120 0.000 1.010 217 K CA -1.309 55.049 56.287 0.118 0.000 0.929 217 K CB 1.384 33.960 32.500 0.126 0.000 0.998 217 K HN 0.081 nan 8.250 nan 0.000 0.479 218 P HA -0.195 nan 4.420 nan 0.000 0.215 218 P C 0.958 178.323 177.300 0.109 0.000 1.157 218 P CA 0.999 64.145 63.100 0.077 0.000 0.874 218 P CB 0.186 31.903 31.700 0.028 0.000 0.790 219 L N -0.411 120.884 121.223 0.120 0.000 2.201 219 L HA -0.132 4.207 4.340 -0.002 0.000 0.212 219 L C 2.103 179.142 176.870 0.282 0.000 1.105 219 L CA 1.728 56.674 54.840 0.177 0.000 0.775 219 L CB -1.288 40.892 42.059 0.201 0.000 0.913 219 L HN 0.038 nan 8.230 nan 0.000 0.440 220 E N -0.891 119.472 120.200 0.272 0.000 2.046 220 E HA -0.168 4.181 4.350 -0.002 0.000 0.190 220 E C 2.234 179.017 176.600 0.304 0.000 0.982 220 E CA 0.923 57.535 56.400 0.352 0.000 0.800 220 E CB -0.196 29.669 29.700 0.275 0.000 0.756 220 E HN 0.426 nan 8.360 nan 0.000 0.449 221 L N 0.211 121.566 121.223 0.221 0.000 2.083 221 L HA -0.192 4.147 4.340 -0.002 0.000 0.209 221 L C 2.590 179.554 176.870 0.157 0.000 1.083 221 L CA 1.182 56.133 54.840 0.186 0.000 0.752 221 L CB -0.559 41.594 42.059 0.157 0.000 0.899 221 L HN 0.176 nan 8.230 nan 0.000 0.433 222 Y N 0.285 120.578 120.300 -0.011 0.000 2.133 222 Y HA -0.242 4.307 4.550 -0.001 0.000 0.287 222 Y C 2.858 178.645 175.900 -0.188 0.000 1.134 222 Y CA 1.753 59.767 58.100 -0.143 0.000 1.133 222 Y CB -0.176 38.122 38.460 -0.270 0.000 0.987 222 Y HN 0.153 nan 8.280 nan 0.000 0.502 223 H N -2.109 116.934 119.070 -0.046 0.000 2.482 223 H HA 0.035 4.590 4.556 -0.003 0.000 0.286 223 H C -0.158 174.762 175.328 -0.680 0.000 1.017 223 H CA 1.074 56.852 56.048 -0.449 0.000 1.322 223 H CB -0.030 29.324 29.762 -0.680 0.000 1.426 223 H HN 0.349 nan 8.280 nan 0.000 0.546 224 Y N 1.034 121.492 120.300 0.263 0.000 2.480 224 Y HA 0.266 4.814 4.550 -0.003 0.000 0.356 224 Y C -2.264 173.757 175.900 0.203 0.000 0.922 224 Y CA -3.049 55.178 58.100 0.212 0.000 1.146 224 Y CB 0.479 39.038 38.460 0.165 0.000 1.185 224 Y HN 0.017 nan 8.280 nan 0.000 0.624 225 P HA 0.051 nan 4.420 nan 0.000 0.268 225 P C 0.623 178.109 177.300 0.310 0.000 1.204 225 P CA 0.393 63.653 63.100 0.267 0.000 0.768 225 P CB 1.872 33.707 31.700 0.224 0.000 0.842 226 A N 3.204 126.175 122.820 0.251 0.000 2.119 226 A HA -0.043 4.275 4.320 -0.002 0.000 0.217 226 A C 0.652 178.395 177.584 0.265 0.000 1.153 226 A CA 1.355 53.526 52.037 0.224 0.000 0.692 226 A CB -0.608 18.489 19.000 0.162 0.000 0.799 226 A HN 0.722 nan 8.150 nan 0.000 0.458 227 D N -4.469 116.117 120.400 0.310 0.000 2.665 227 D HA 0.231 4.870 4.640 -0.002 0.000 0.287 227 D C 0.393 176.804 176.300 0.185 0.000 1.266 227 D CA -0.741 53.450 54.000 0.318 0.000 0.830 227 D CB 0.246 41.158 40.800 0.186 0.000 1.356 227 D HN -0.139 nan 8.370 nan 0.000 0.437 228 R N -0.904 119.513 120.500 -0.138 0.000 2.103 228 R HA -0.109 4.229 4.340 -0.002 0.000 0.242 228 R C 1.946 178.112 176.300 -0.223 0.000 1.142 228 R CA 1.646 57.400 56.100 -0.576 0.000 0.960 228 R CB -0.513 29.411 30.300 -0.626 0.000 0.858 228 R HN 0.419 nan 8.270 nan 0.000 0.439 229 F N 0.441 120.297 119.950 -0.157 0.000 2.065 229 F HA -0.251 4.274 4.527 -0.002 0.000 0.298 229 F C 1.941 177.754 175.800 0.021 0.000 1.112 229 F CA 1.772 59.729 58.000 -0.070 0.000 1.212 229 F CB -0.470 38.489 39.000 -0.068 0.000 0.975 229 F HN -0.199 nan 8.300 nan 0.000 0.476 230 V N 0.481 120.425 119.914 0.051 0.000 2.427 230 V HA -0.248 3.871 4.120 -0.002 0.000 0.248 230 V C 2.714 178.818 176.094 0.017 0.000 1.051 230 V CA 1.518 63.831 62.300 0.022 0.000 1.048 230 V CB -1.674 30.234 31.823 0.141 0.000 0.666 230 V HN 0.504 nan 8.190 nan 0.000 0.456 231 A N 0.658 123.498 122.820 0.034 0.000 1.940 231 A HA -0.091 4.228 4.320 -0.002 0.000 0.219 231 A C 2.260 179.841 177.584 -0.006 0.000 1.176 231 A CA 2.000 54.055 52.037 0.030 0.000 0.631 231 A CB -0.844 18.223 19.000 0.112 0.000 0.814 231 A HN 0.565 nan 8.150 nan 0.000 0.446 232 G N -3.061 105.739 108.800 0.000 0.000 2.986 232 G HA2 0.178 4.137 3.960 -0.002 0.000 0.213 232 G HA3 0.178 4.137 3.960 -0.002 0.000 0.213 232 G C 1.088 175.925 174.900 -0.105 0.000 1.156 232 G CA 0.531 45.630 45.100 -0.002 0.000 0.763 232 G HN 0.437 nan 8.290 nan 0.000 0.547 233 F N 0.371 120.134 119.950 -0.312 0.000 2.473 233 F HA 0.443 4.968 4.527 -0.003 0.000 0.294 233 F C 0.359 176.056 175.800 -0.172 0.000 1.103 233 F CA -0.165 57.637 58.000 -0.330 0.000 1.442 233 F CB 0.441 39.112 39.000 -0.548 0.000 1.097 233 F HN -0.144 nan 8.300 nan 0.000 0.547 234 I N 0.899 121.481 120.570 0.019 0.000 2.354 234 I HA 0.546 4.715 4.170 -0.002 0.000 0.292 234 I C 0.136 176.235 176.117 -0.029 0.000 0.989 234 I CA -0.404 60.905 61.300 0.015 0.000 1.188 234 I CB 0.918 38.988 38.000 0.117 0.000 1.342 234 I HN 0.228 nan 8.210 nan 0.000 0.457 235 G N 3.813 112.582 108.800 -0.051 0.000 3.055 235 G HA2 0.193 4.152 3.960 -0.002 0.000 0.686 235 G HA3 0.193 4.152 3.960 -0.002 0.000 0.686 235 G C -0.754 174.085 174.900 -0.101 0.000 1.087 235 G CA -0.318 44.759 45.100 -0.039 0.000 0.779 235 G HN 0.801 nan 8.290 nan 0.000 0.599 236 S N 3.071 118.715 115.700 -0.093 0.000 2.543 236 S HA 0.830 5.298 4.470 -0.002 0.000 0.271 236 S C -2.072 172.480 174.600 -0.081 0.000 1.148 236 S CA -0.362 57.778 58.200 -0.099 0.000 0.914 236 S CB 1.746 64.881 63.200 -0.109 0.000 1.096 236 S HN 1.020 nan 8.310 nan 0.000 0.471 237 P HA 0.160 nan 4.420 nan 0.000 0.267 237 P C -0.547 176.686 177.300 -0.111 0.000 1.200 237 P CA -0.360 62.690 63.100 -0.084 0.000 0.772 237 P CB 0.361 32.018 31.700 -0.072 0.000 0.855 238 K N 2.046 122.380 120.400 -0.111 0.000 2.518 238 K HA 0.026 4.345 4.320 -0.002 0.000 0.276 238 K C 0.666 177.153 176.600 -0.188 0.000 0.974 238 K CA -0.249 55.963 56.287 -0.125 0.000 0.986 238 K CB 0.188 32.644 32.500 -0.073 0.000 0.901 238 K HN 0.494 nan 8.250 nan 0.000 0.497 239 M N 3.261 122.700 119.600 -0.270 0.000 2.250 239 M HA -0.070 4.409 4.480 -0.002 0.000 0.337 239 M C -0.537 175.378 176.300 -0.642 0.000 1.161 239 M CA 0.747 55.763 55.300 -0.474 0.000 1.088 239 M CB 0.257 32.486 32.600 -0.618 0.000 1.639 239 M HN 0.605 nan 8.290 nan 0.000 0.447 240 N N 2.783 121.157 118.700 -0.543 0.000 2.530 240 N HA 0.400 5.139 4.740 -0.002 0.000 0.277 240 N C -1.780 173.345 175.510 -0.642 0.000 1.168 240 N CA -0.180 52.623 53.050 -0.411 0.000 0.979 240 N CB 0.784 39.158 38.487 -0.189 0.000 1.141 240 N HN 0.349 nan 8.380 nan 0.000 0.459 241 F N 1.752 121.698 119.950 -0.006 0.000 2.507 241 F HA 0.431 4.957 4.527 -0.002 0.000 0.328 241 F C -0.469 175.349 175.800 0.029 0.000 1.136 241 F CA -0.732 57.282 58.000 0.023 0.000 0.930 241 F CB 0.963 39.950 39.000 -0.021 0.000 1.166 241 F HN 0.058 nan 8.300 nan 0.000 0.436 242 L N 5.104 126.445 121.223 0.197 0.000 2.346 242 L HA 0.598 4.937 4.340 -0.002 0.000 0.274 242 L C -2.506 174.440 176.870 0.126 0.000 1.007 242 L CA -2.212 52.702 54.840 0.124 0.000 0.818 242 L CB 2.180 44.284 42.059 0.075 0.000 1.284 242 L HN 0.292 nan 8.230 nan 0.000 0.424 243 P HA 0.207 nan 4.420 nan 0.000 0.282 243 P C -0.883 176.449 177.300 0.052 0.000 1.262 243 P CA -0.137 63.006 63.100 0.070 0.000 0.773 243 P CB 1.621 33.350 31.700 0.048 0.000 0.879 244 V N 0.483 120.427 119.914 0.050 0.000 3.130 244 V HA 0.663 4.782 4.120 -0.002 0.000 0.310 244 V C -0.718 175.384 176.094 0.014 0.000 1.158 244 V CA -1.142 61.173 62.300 0.025 0.000 1.029 244 V CB 2.654 34.490 31.823 0.023 0.000 1.057 244 V HN 0.315 nan 8.190 nan 0.000 0.436 245 K N 1.060 121.455 120.400 -0.008 0.000 2.324 245 K HA 0.731 5.050 4.320 -0.002 0.000 0.253 245 K C -1.277 175.299 176.600 -0.039 0.000 0.932 245 K CA -0.799 55.478 56.287 -0.016 0.000 0.799 245 K CB 2.383 34.872 32.500 -0.018 0.000 1.154 245 K HN 0.685 nan 8.250 nan 0.000 0.425 246 V N 2.929 122.822 119.914 -0.035 0.000 2.508 246 V HA 0.021 4.139 4.120 -0.002 0.000 0.281 246 V C 1.291 177.339 176.094 -0.076 0.000 1.041 246 V CA 0.390 62.655 62.300 -0.059 0.000 1.016 246 V CB 1.030 32.834 31.823 -0.032 0.000 0.984 246 V HN 1.052 nan 8.190 nan 0.000 0.478 247 T N 0.913 115.388 114.554 -0.132 0.000 2.975 247 T HA 0.661 5.010 4.350 -0.002 0.000 0.257 247 T C 0.268 174.883 174.700 -0.140 0.000 1.003 247 T CA 0.472 62.493 62.100 -0.132 0.000 0.932 247 T CB 0.571 69.341 68.868 -0.163 0.000 1.087 247 T HN 1.050 nan 8.240 nan 0.000 0.512 248 A N -0.017 122.694 122.820 -0.182 0.000 2.564 248 A HA 0.746 5.065 4.320 -0.002 0.000 0.291 248 A C -1.186 176.408 177.584 0.016 0.000 1.102 248 A CA -0.721 51.257 52.037 -0.098 0.000 0.660 248 A CB 1.251 20.138 19.000 -0.189 0.000 1.283 248 A HN 0.120 nan 8.150 nan 0.000 0.430 249 T N -0.245 114.450 114.554 0.234 0.000 3.578 249 T HA 0.655 5.004 4.350 -0.002 0.000 0.343 249 T C -0.264 174.609 174.700 0.288 0.000 1.126 249 T CA 0.438 62.708 62.100 0.284 0.000 1.092 249 T CB 1.188 70.137 68.868 0.135 0.000 1.160 249 T HN 1.869 nan 8.240 nan 0.000 0.469 250 A N 2.707 125.684 122.820 0.261 0.000 2.858 250 A HA 0.939 5.258 4.320 -0.002 0.000 0.232 250 A C -0.872 176.731 177.584 0.031 0.000 1.258 250 A CA -0.658 51.410 52.037 0.052 0.000 0.909 250 A CB 0.350 19.238 19.000 -0.187 0.000 1.491 250 A HN 0.650 nan 8.150 nan 0.000 0.472 251 I N 1.442 121.998 120.570 -0.023 0.000 2.347 251 I HA 0.243 4.411 4.170 -0.002 0.000 0.294 251 I C -0.516 175.594 176.117 -0.012 0.000 1.090 251 I CA 0.718 62.011 61.300 -0.012 0.000 1.314 251 I CB -0.314 37.670 38.000 -0.026 0.000 1.423 251 I HN 0.528 nan 8.210 nan 0.000 0.503 252 D N 4.096 124.506 120.400 0.016 0.000 2.775 252 D HA -0.195 4.443 4.640 -0.002 0.000 0.235 252 D C 0.681 177.004 176.300 0.038 0.000 1.120 252 D CA 0.841 54.853 54.000 0.021 0.000 0.708 252 D CB -0.575 40.225 40.800 -0.001 0.000 1.084 252 D HN 0.723 nan 8.370 nan 0.000 0.434 253 Q N -1.460 118.393 119.800 0.088 0.000 2.361 253 Q HA 0.330 4.669 4.340 -0.002 0.000 0.182 253 Q C -0.178 176.014 176.000 0.319 0.000 0.650 253 Q CA 0.298 56.204 55.803 0.172 0.000 0.842 253 Q CB 1.438 30.210 28.738 0.057 0.000 1.211 253 Q HN 0.080 nan 8.270 nan 0.000 0.502 254 V N 2.350 122.533 119.914 0.448 0.000 3.411 254 V HA -0.204 3.915 4.120 -0.002 0.000 0.484 254 V C -0.714 175.437 176.094 0.096 0.000 0.682 254 V CA 0.640 63.090 62.300 0.250 0.000 2.023 254 V CB -1.004 30.886 31.823 0.112 0.000 2.468 254 V HN 0.541 nan 8.190 nan 0.000 0.502 255 Q N 4.358 123.916 119.800 -0.404 0.000 2.293 255 Q HA 0.764 5.103 4.340 -0.002 0.000 0.261 255 Q C -0.352 175.405 176.000 -0.405 0.000 0.960 255 Q CA -0.402 54.920 55.803 -0.803 0.000 0.882 255 Q CB 2.217 29.820 28.738 -1.891 0.000 1.275 255 Q HN 1.418 nan 8.270 nan 0.000 0.445 256 V N 0.413 120.165 119.914 -0.270 0.000 3.103 256 V HA 0.644 4.763 4.120 -0.002 0.000 0.318 256 V C -0.842 175.165 176.094 -0.145 0.000 1.114 256 V CA -0.894 61.312 62.300 -0.155 0.000 1.020 256 V CB 1.843 33.623 31.823 -0.072 0.000 1.085 256 V HN 0.946 nan 8.190 nan 0.000 0.446 257 E N 1.487 121.631 120.200 -0.094 0.000 2.176 257 E HA 0.521 4.870 4.350 -0.002 0.000 0.267 257 E C -1.248 175.328 176.600 -0.041 0.000 0.893 257 E CA -0.786 55.569 56.400 -0.074 0.000 0.761 257 E CB 1.787 31.448 29.700 -0.066 0.000 1.133 257 E HN 0.779 nan 8.360 nan 0.000 0.409 258 L N 6.448 127.650 121.223 -0.034 0.000 2.371 258 L HA 0.225 4.563 4.340 -0.002 0.000 0.272 258 L C -1.206 175.658 176.870 -0.009 0.000 1.124 258 L CA -1.514 53.318 54.840 -0.015 0.000 0.816 258 L CB 0.817 42.867 42.059 -0.013 0.000 1.129 258 L HN 0.556 nan 8.230 nan 0.000 0.448 259 P HA -0.169 nan 4.420 nan 0.000 0.218 259 P C 0.503 177.804 177.300 0.001 0.000 1.148 259 P CA 1.122 64.225 63.100 0.004 0.000 0.822 259 P CB 0.159 31.867 31.700 0.014 0.000 0.784 260 M N 0.003 119.603 119.600 -0.001 0.000 2.231 260 M HA 0.094 4.573 4.480 -0.002 0.000 0.299 260 M C -1.872 174.425 176.300 -0.005 0.000 1.076 260 M CA -1.135 54.164 55.300 -0.002 0.000 1.152 260 M CB -1.547 31.050 32.600 -0.005 0.000 1.414 260 M HN -0.170 nan 8.290 nan 0.000 0.439 261 P HA 0.061 nan 4.420 nan 0.000 0.273 261 P C -0.224 177.071 177.300 -0.009 0.000 1.258 261 P CA 0.296 63.393 63.100 -0.006 0.000 0.802 261 P CB 0.196 31.893 31.700 -0.005 0.000 1.040 262 N N -1.982 116.712 118.700 -0.009 0.000 2.732 262 N HA -0.307 4.432 4.740 -0.002 0.000 0.250 262 N C -0.743 174.757 175.510 -0.015 0.000 1.097 262 N CA 1.094 54.137 53.050 -0.012 0.000 0.812 262 N CB -2.122 36.358 38.487 -0.011 0.000 1.148 262 N HN 0.399 nan 8.380 nan 0.000 0.572 263 R N -0.384 120.106 120.500 -0.016 0.000 2.114 263 R HA -0.279 4.060 4.340 -0.002 0.000 0.164 263 R C 0.212 176.494 176.300 -0.030 0.000 0.443 263 R CA 1.143 57.230 56.100 -0.022 0.000 0.438 263 R CB -0.962 29.325 30.300 -0.023 0.000 1.627 263 R HN 0.728 nan 8.270 nan 0.000 0.550 264 Q N 2.062 121.844 119.800 -0.029 0.000 2.392 264 Q HA 0.015 4.354 4.340 -0.002 0.000 0.262 264 Q C -0.473 175.495 176.000 -0.054 0.000 1.003 264 Q CA 0.185 55.968 55.803 -0.033 0.000 0.888 264 Q CB 0.777 29.500 28.738 -0.024 0.000 1.260 264 Q HN 0.393 nan 8.270 nan 0.000 0.435 265 Q N 1.702 121.460 119.800 -0.070 0.000 2.312 265 Q HA 0.605 4.944 4.340 -0.002 0.000 0.263 265 Q C -1.394 174.529 176.000 -0.129 0.000 0.995 265 Q CA -0.813 54.913 55.803 -0.129 0.000 0.853 265 Q CB 2.362 30.995 28.738 -0.175 0.000 1.300 265 Q HN 0.412 nan 8.270 nan 0.000 0.448 266 V N 1.383 121.197 119.914 -0.166 0.000 2.841 266 V HA 0.407 4.526 4.120 -0.002 0.000 0.310 266 V C -1.305 174.711 176.094 -0.129 0.000 1.090 266 V CA -1.024 61.224 62.300 -0.088 0.000 0.930 266 V CB 1.596 33.407 31.823 -0.019 0.000 1.014 266 V HN 0.720 nan 8.190 nan 0.000 0.425 267 W N 4.058 125.360 121.300 0.003 0.000 2.365 267 W HA 0.744 5.403 4.660 -0.002 0.000 0.316 267 W C -0.415 176.104 176.519 0.000 0.000 1.164 267 W CA -0.369 56.977 57.345 0.002 0.000 1.204 267 W CB 1.147 30.608 29.460 0.001 0.000 1.213 267 W HN 0.317 nan 8.180 nan 0.000 0.539 268 L N 4.753 126.132 121.223 0.260 0.000 2.365 268 L HA 0.390 4.728 4.340 -0.002 0.000 0.273 268 L C -2.127 174.826 176.870 0.138 0.000 1.000 268 L CA -2.351 52.575 54.840 0.144 0.000 0.819 268 L CB 1.825 43.926 42.059 0.070 0.000 1.284 268 L HN 0.127 nan 8.230 nan 0.000 0.418 269 P HA 0.107 nan 4.420 nan 0.000 0.235 269 P C -0.501 176.831 177.300 0.054 0.000 1.765 269 P CA 0.215 63.357 63.100 0.069 0.000 1.034 269 P CB 0.154 31.896 31.700 0.070 0.000 1.984 270 V N 0.996 120.944 119.914 0.057 0.000 2.815 270 V HA 0.132 4.250 4.120 -0.002 0.000 0.314 270 V C 1.845 177.961 176.094 0.036 0.000 1.064 270 V CA -0.462 61.858 62.300 0.033 0.000 0.952 270 V CB 2.041 33.872 31.823 0.014 0.000 1.020 270 V HN 0.113 nan 8.190 nan 0.000 0.439 271 E N 2.566 122.780 120.200 0.023 0.000 2.196 271 E HA -0.341 4.007 4.350 -0.002 0.000 0.222 271 E C 1.694 178.312 176.600 0.030 0.000 1.072 271 E CA 2.596 59.009 56.400 0.022 0.000 0.902 271 E CB -0.214 29.498 29.700 0.020 0.000 0.780 271 E HN 1.049 nan 8.360 nan 0.000 0.467 272 S N -2.165 113.558 115.700 0.038 0.000 2.524 272 S HA -0.439 4.030 4.470 -0.002 0.000 0.249 272 S C 1.229 175.852 174.600 0.039 0.000 1.261 272 S CA 1.856 60.085 58.200 0.049 0.000 1.551 272 S CB -1.620 61.617 63.200 0.063 0.000 1.976 272 S HN 0.497 nan 8.310 nan 0.000 0.639 273 R N 1.031 121.549 120.500 0.030 0.000 2.335 273 R HA -0.166 4.173 4.340 -0.002 0.000 0.219 273 R C 0.268 176.584 176.300 0.027 0.000 1.088 273 R CA 2.285 58.400 56.100 0.025 0.000 0.828 273 R CB -0.410 29.904 30.300 0.023 0.000 0.902 273 R HN 0.577 nan 8.270 nan 0.000 0.409 274 D N -1.002 119.414 120.400 0.028 0.000 2.469 274 D HA 0.197 4.836 4.640 -0.002 0.000 0.251 274 D C 0.273 176.591 176.300 0.030 0.000 1.173 274 D CA 0.008 54.025 54.000 0.027 0.000 0.882 274 D CB 1.983 42.797 40.800 0.024 0.000 1.129 274 D HN 0.127 nan 8.370 nan 0.000 0.549 275 V N 0.017 119.949 119.914 0.031 0.000 3.161 275 V HA 0.306 4.425 4.120 -0.002 0.000 0.221 275 V C -0.161 175.947 176.094 0.024 0.000 1.296 275 V CA 0.034 62.352 62.300 0.030 0.000 1.306 275 V CB 0.105 31.947 31.823 0.033 0.000 1.171 275 V HN 0.452 nan 8.190 nan 0.000 0.513 276 Q N 0.522 120.336 119.800 0.024 0.000 2.698 276 Q HA -0.083 4.256 4.340 -0.002 0.000 0.196 276 Q C -0.486 175.521 176.000 0.011 0.000 1.408 276 Q CA 0.654 56.468 55.803 0.018 0.000 0.519 276 Q CB -1.097 27.650 28.738 0.016 0.000 0.672 276 Q HN 0.587 nan 8.270 nan 0.000 0.319 277 V N 1.554 121.473 119.914 0.009 0.000 2.644 277 V HA 0.267 4.385 4.120 -0.002 0.000 0.305 277 V C 1.696 177.787 176.094 -0.005 0.000 1.053 277 V CA 2.400 64.698 62.300 -0.004 0.000 1.186 277 V CB 0.670 32.491 31.823 -0.003 0.000 0.895 277 V HN 1.179 nan 8.190 nan 0.000 0.490 278 G N 3.604 112.397 108.800 -0.012 0.000 2.232 278 G HA2 -0.094 3.865 3.960 -0.002 0.000 0.226 278 G HA3 -0.094 3.865 3.960 -0.002 0.000 0.226 278 G C 0.485 175.383 174.900 -0.003 0.000 0.996 278 G CA 0.100 45.195 45.100 -0.009 0.000 0.626 278 G HN 1.565 nan 8.290 nan 0.000 0.509 279 A N 0.230 123.050 122.820 0.001 0.000 2.520 279 A HA 0.504 4.823 4.320 -0.002 0.000 0.235 279 A C 0.333 177.923 177.584 0.010 0.000 1.065 279 A CA 0.426 52.468 52.037 0.009 0.000 0.764 279 A CB 0.137 19.146 19.000 0.015 0.000 1.002 279 A HN 0.391 nan 8.150 nan 0.000 0.502 280 N N 1.538 120.248 118.700 0.017 0.000 2.426 280 N HA 0.529 5.268 4.740 -0.002 0.000 0.257 280 N C -0.520 175.013 175.510 0.038 0.000 1.002 280 N CA 0.227 53.291 53.050 0.022 0.000 0.942 280 N CB 1.064 39.562 38.487 0.018 0.000 1.112 280 N HN 0.641 nan 8.380 nan 0.000 0.499 281 M N -0.309 119.321 119.600 0.049 0.000 2.775 281 M HA 0.393 4.871 4.480 -0.002 0.000 0.296 281 M C -0.108 176.261 176.300 0.114 0.000 1.248 281 M CA -0.869 54.480 55.300 0.083 0.000 0.800 281 M CB 1.875 34.521 32.600 0.077 0.000 1.765 281 M HN 0.174 nan 8.290 nan 0.000 0.472 282 S N 1.313 117.127 115.700 0.190 0.000 2.498 282 S HA 0.611 5.080 4.470 -0.002 0.000 0.317 282 S C -1.360 173.478 174.600 0.397 0.000 1.090 282 S CA -0.738 57.628 58.200 0.276 0.000 1.089 282 S CB 0.679 64.041 63.200 0.270 0.000 0.997 282 S HN 0.595 nan 8.310 nan 0.000 0.470 283 L N 5.473 126.878 121.223 0.304 0.000 2.264 283 L HA 0.803 5.141 4.340 -0.002 0.000 0.289 283 L C 0.318 177.367 176.870 0.299 0.000 1.044 283 L CA -0.305 54.683 54.840 0.246 0.000 0.807 283 L CB 0.717 42.852 42.059 0.127 0.000 1.192 283 L HN 0.749 nan 8.230 nan 0.000 0.425 284 G N 5.141 114.143 108.800 0.337 0.000 2.379 284 G HA2 0.600 4.559 3.960 -0.002 0.000 0.327 284 G HA3 0.600 4.559 3.960 -0.002 0.000 0.327 284 G C -1.560 173.383 174.900 0.073 0.000 1.145 284 G CA -0.381 44.807 45.100 0.147 0.000 0.905 284 G HN 0.528 nan 8.290 nan 0.000 0.466 285 I N 1.023 121.539 120.570 -0.089 0.000 2.586 285 I HA 0.414 4.583 4.170 -0.002 0.000 0.288 285 I C -0.008 176.029 176.117 -0.133 0.000 1.147 285 I CA -0.863 60.425 61.300 -0.021 0.000 1.047 285 I CB 1.668 39.682 38.000 0.024 0.000 1.244 285 I HN 0.498 nan 8.210 nan 0.000 0.429 286 R N 7.972 128.378 120.500 -0.156 0.000 2.543 286 R HA 0.276 4.615 4.340 -0.002 0.000 0.277 286 R C -1.606 174.603 176.300 -0.152 0.000 1.074 286 R CA -1.205 54.738 56.100 -0.262 0.000 1.076 286 R CB 0.300 30.314 30.300 -0.477 0.000 0.993 286 R HN 0.426 nan 8.270 nan 0.000 0.459 287 P HA -0.173 nan 4.420 nan 0.000 0.217 287 P C 0.159 177.433 177.300 -0.043 0.000 1.148 287 P CA 1.376 64.447 63.100 -0.049 0.000 0.828 287 P CB 0.288 31.936 31.700 -0.087 0.000 0.783 288 E N -1.452 118.688 120.200 -0.101 0.000 2.208 288 E HA -0.147 4.202 4.350 -0.002 0.000 0.193 288 E C 1.688 178.397 176.600 0.181 0.000 0.988 288 E CA 0.956 57.343 56.400 -0.023 0.000 0.828 288 E CB -0.964 28.723 29.700 -0.022 0.000 0.763 288 E HN 0.567 nan 8.360 nan 0.000 0.478 289 H N -0.571 118.533 119.070 0.056 0.000 2.539 289 H HA 0.190 4.745 4.556 -0.002 0.000 0.267 289 H C 0.242 175.625 175.328 0.092 0.000 0.982 289 H CA -0.700 55.389 56.048 0.067 0.000 1.146 289 H CB 0.336 30.125 29.762 0.046 0.000 1.382 289 H HN 0.043 nan 8.280 nan 0.000 0.577 290 L N 1.611 122.994 121.223 0.268 0.000 2.464 290 L HA 0.144 4.483 4.340 -0.002 0.000 0.264 290 L C -0.108 176.951 176.870 0.314 0.000 1.199 290 L CA -0.034 54.965 54.840 0.265 0.000 0.818 290 L CB 0.854 43.120 42.059 0.345 0.000 1.102 290 L HN 0.105 nan 8.230 nan 0.000 0.473 291 L N 1.867 123.200 121.223 0.183 0.000 2.303 291 L HA 0.399 4.738 4.340 -0.002 0.000 0.266 291 L C -1.690 175.226 176.870 0.076 0.000 1.011 291 L CA -1.710 53.222 54.840 0.154 0.000 0.818 291 L CB 1.536 43.638 42.059 0.071 0.000 1.326 291 L HN 0.370 nan 8.230 nan 0.000 0.435 292 P HA -0.109 nan 4.420 nan 0.000 0.242 292 P C 0.823 178.053 177.300 -0.116 0.000 1.198 292 P CA 0.819 63.941 63.100 0.036 0.000 0.756 292 P CB 0.312 32.060 31.700 0.081 0.000 0.911 293 S N -1.029 114.595 115.700 -0.127 0.000 2.450 293 S HA -0.253 4.215 4.470 -0.002 0.000 0.248 293 S C 1.302 175.841 174.600 -0.102 0.000 1.240 293 S CA 1.717 59.823 58.200 -0.156 0.000 1.532 293 S CB -2.152 60.882 63.200 -0.277 0.000 1.941 293 S HN 0.168 nan 8.310 nan 0.000 0.623 294 D N 0.945 121.302 120.400 -0.072 0.000 2.182 294 D HA 0.022 4.661 4.640 -0.002 0.000 0.201 294 D C 0.762 177.043 176.300 -0.032 0.000 0.986 294 D CA 1.377 55.350 54.000 -0.045 0.000 0.847 294 D CB -0.414 40.374 40.800 -0.021 0.000 0.942 294 D HN 0.594 nan 8.370 nan 0.000 0.467 295 I N 1.164 121.719 120.570 -0.026 0.000 2.379 295 I HA 0.158 4.327 4.170 -0.002 0.000 0.290 295 I C 1.362 177.466 176.117 -0.022 0.000 1.063 295 I CA -0.571 60.720 61.300 -0.015 0.000 1.351 295 I CB 0.673 38.671 38.000 -0.004 0.000 1.410 295 I HN -0.153 nan 8.210 nan 0.000 0.505 296 A N 6.248 129.058 122.820 -0.018 0.000 3.102 296 A HA -0.209 4.109 4.320 -0.002 0.000 0.189 296 A C 1.328 178.903 177.584 -0.015 0.000 0.842 296 A CA 1.753 53.779 52.037 -0.018 0.000 1.137 296 A CB -0.813 18.182 19.000 -0.009 0.000 0.746 296 A HN 0.982 nan 8.150 nan 0.000 0.537 297 D N -1.977 118.421 120.400 -0.004 0.000 3.470 297 D HA -0.243 4.395 4.640 -0.002 0.000 0.161 297 D C 0.086 176.384 176.300 -0.004 0.000 1.030 297 D CA 1.612 55.614 54.000 0.004 0.000 0.977 297 D CB -1.547 39.260 40.800 0.011 0.000 0.484 297 D HN 0.833 nan 8.370 nan 0.000 0.467 298 V N 1.099 121.011 119.914 -0.003 0.000 2.461 298 V HA 0.449 4.568 4.120 -0.002 0.000 0.275 298 V C 0.581 176.659 176.094 -0.026 0.000 1.047 298 V CA -0.303 61.990 62.300 -0.011 0.000 0.955 298 V CB 0.611 32.432 31.823 -0.003 0.000 0.988 298 V HN 0.294 nan 8.190 nan 0.000 0.471 299 I N 5.899 126.448 120.570 -0.035 0.000 2.436 299 I HA 0.395 4.564 4.170 -0.002 0.000 0.289 299 I C -0.978 175.108 176.117 -0.052 0.000 1.010 299 I CA -0.677 60.589 61.300 -0.056 0.000 1.098 299 I CB 2.015 39.975 38.000 -0.067 0.000 1.266 299 I HN 0.368 nan 8.210 nan 0.000 0.434 300 L N 6.412 127.598 121.223 -0.062 0.000 2.309 300 L HA 0.501 4.840 4.340 -0.002 0.000 0.282 300 L C -0.186 176.648 176.870 -0.060 0.000 1.036 300 L CA -0.049 54.764 54.840 -0.046 0.000 0.806 300 L CB 1.419 43.458 42.059 -0.033 0.000 1.220 300 L HN 0.538 nan 8.230 nan 0.000 0.429 301 E N 1.005 121.183 120.200 -0.036 0.000 2.314 301 E HA 0.756 5.105 4.350 -0.002 0.000 0.272 301 E C -0.898 175.705 176.600 0.005 0.000 0.884 301 E CA -0.531 55.851 56.400 -0.030 0.000 0.753 301 E CB 2.130 31.807 29.700 -0.039 0.000 1.213 301 E HN 0.694 nan 8.360 nan 0.000 0.432 302 G N 2.076 110.896 108.800 0.034 0.000 2.731 302 G HA2 0.255 4.214 3.960 -0.002 0.000 0.309 302 G HA3 0.255 4.214 3.960 -0.002 0.000 0.309 302 G C -1.485 173.457 174.900 0.071 0.000 1.273 302 G CA -0.642 44.486 45.100 0.048 0.000 0.798 302 G HN 0.499 nan 8.290 nan 0.000 0.509 303 E N -0.164 120.074 120.200 0.064 0.000 2.171 303 E HA 0.523 4.872 4.350 -0.002 0.000 0.271 303 E C -0.638 176.000 176.600 0.064 0.000 0.916 303 E CA -0.637 55.801 56.400 0.064 0.000 0.774 303 E CB 2.033 31.758 29.700 0.042 0.000 1.128 303 E HN 0.222 nan 8.360 nan 0.000 0.403 304 V N 5.162 125.112 119.914 0.059 0.000 2.485 304 V HA -0.050 4.069 4.120 -0.002 0.000 0.287 304 V C 0.908 177.013 176.094 0.019 0.000 1.022 304 V CA 0.168 62.484 62.300 0.025 0.000 1.067 304 V CB 1.023 32.833 31.823 -0.020 0.000 0.967 304 V HN 0.790 nan 8.190 nan 0.000 0.479 305 Q N 3.586 123.404 119.800 0.031 0.000 2.390 305 Q HA 0.263 4.602 4.340 -0.002 0.000 0.216 305 Q C 0.005 175.995 176.000 -0.017 0.000 0.916 305 Q CA 0.752 56.569 55.803 0.024 0.000 0.911 305 Q CB 1.048 29.821 28.738 0.059 0.000 1.035 305 Q HN 0.625 nan 8.270 nan 0.000 0.541 306 V N 0.146 120.041 119.914 -0.032 0.000 3.012 306 V HA 0.528 4.647 4.120 -0.002 0.000 0.307 306 V C -0.895 175.124 176.094 -0.124 0.000 1.166 306 V CA -0.891 61.327 62.300 -0.136 0.000 0.974 306 V CB 2.719 34.328 31.823 -0.357 0.000 1.040 306 V HN -0.203 nan 8.190 nan 0.000 0.428 307 V N 2.305 122.140 119.914 -0.131 0.000 2.569 307 V HA 0.520 4.639 4.120 -0.002 0.000 0.301 307 V C -0.786 175.247 176.094 -0.102 0.000 1.044 307 V CA -0.516 61.720 62.300 -0.106 0.000 0.874 307 V CB 1.978 33.745 31.823 -0.093 0.000 1.002 307 V HN 0.977 nan 8.190 nan 0.000 0.424 308 E N 3.172 123.320 120.200 -0.087 0.000 2.165 308 E HA 0.485 4.834 4.350 -0.002 0.000 0.266 308 E C -1.007 175.560 176.600 -0.055 0.000 0.889 308 E CA -0.688 55.668 56.400 -0.073 0.000 0.756 308 E CB 1.653 31.309 29.700 -0.072 0.000 1.131 308 E HN 0.495 nan 8.360 nan 0.000 0.411 309 Q N 3.439 123.210 119.800 -0.048 0.000 2.398 309 Q HA 0.249 4.588 4.340 -0.002 0.000 0.251 309 Q C 0.246 176.225 176.000 -0.034 0.000 0.999 309 Q CA -0.046 55.734 55.803 -0.038 0.000 0.874 309 Q CB 1.155 29.874 28.738 -0.032 0.000 1.215 309 Q HN 0.670 nan 8.270 nan 0.000 0.470 310 L N 0.268 121.471 121.223 -0.034 0.000 2.640 310 L HA 0.201 4.539 4.340 -0.002 0.000 0.230 310 L C 1.262 178.116 176.870 -0.026 0.000 1.123 310 L CA 0.390 55.211 54.840 -0.031 0.000 0.900 310 L CB 0.175 42.214 42.059 -0.034 0.000 1.146 310 L HN 0.916 nan 8.230 nan 0.000 0.484 311 G N 1.778 110.564 108.800 -0.024 0.000 4.526 311 G HA2 -0.413 3.546 3.960 -0.002 0.000 0.217 311 G HA3 -0.413 3.546 3.960 -0.002 0.000 0.217 311 G C 1.027 175.916 174.900 -0.019 0.000 1.428 311 G CA 0.451 45.540 45.100 -0.019 0.000 0.928 311 G HN 0.457 nan 8.290 nan 0.000 0.639 312 N N 2.773 121.460 118.700 -0.022 0.000 2.331 312 N HA 0.051 4.790 4.740 -0.002 0.000 0.180 312 N C 0.831 176.325 175.510 -0.027 0.000 1.019 312 N CA 2.013 55.049 53.050 -0.022 0.000 0.881 312 N CB 0.001 38.474 38.487 -0.024 0.000 0.972 312 N HN 0.932 nan 8.380 nan 0.000 0.435 313 E N -1.117 119.062 120.200 -0.034 0.000 2.456 313 E HA 0.468 4.817 4.350 -0.002 0.000 0.278 313 E C -1.600 174.970 176.600 -0.051 0.000 1.034 313 E CA -0.977 55.395 56.400 -0.047 0.000 0.846 313 E CB 1.389 31.052 29.700 -0.061 0.000 1.460 313 E HN -0.121 nan 8.360 nan 0.000 0.463 314 T N 0.981 115.493 114.554 -0.069 0.000 2.928 314 T HA 0.331 4.680 4.350 -0.002 0.000 0.296 314 T C -1.101 173.543 174.700 -0.093 0.000 1.000 314 T CA -0.767 61.293 62.100 -0.067 0.000 0.989 314 T CB 1.444 70.281 68.868 -0.051 0.000 1.005 314 T HN 0.372 nan 8.240 nan 0.000 0.442 315 Q N 2.793 122.558 119.800 -0.057 0.000 2.333 315 Q HA 0.536 4.874 4.340 -0.002 0.000 0.265 315 Q C -0.647 175.380 176.000 0.044 0.000 0.989 315 Q CA -0.936 54.857 55.803 -0.016 0.000 0.842 315 Q CB 1.809 30.566 28.738 0.032 0.000 1.262 315 Q HN 0.483 nan 8.270 nan 0.000 0.451 316 I N 1.844 122.466 120.570 0.087 0.000 2.441 316 I HA 0.331 4.500 4.170 -0.002 0.000 0.295 316 I C -0.037 176.228 176.117 0.248 0.000 0.994 316 I CA -0.529 60.825 61.300 0.091 0.000 1.144 316 I CB 1.289 39.260 38.000 -0.048 0.000 1.314 316 I HN 0.576 nan 8.210 nan 0.000 0.445 317 H N 6.163 125.219 119.070 -0.023 0.000 2.638 317 H HA 0.544 5.099 4.556 -0.002 0.000 0.303 317 H C -0.567 174.766 175.328 0.008 0.000 1.034 317 H CA -0.530 55.520 56.048 0.003 0.000 1.225 317 H CB 1.995 31.753 29.762 -0.007 0.000 1.394 317 H HN 0.406 nan 8.280 nan 0.000 0.477 318 I N 2.341 122.978 120.570 0.111 0.000 2.525 318 I HA 0.141 4.309 4.170 -0.002 0.000 0.301 318 I C 0.116 176.273 176.117 0.067 0.000 0.992 318 I CA -0.597 60.759 61.300 0.093 0.000 1.162 318 I CB 2.111 40.182 38.000 0.119 0.000 1.332 318 I HN 0.440 nan 8.210 nan 0.000 0.458 319 Q N 5.491 125.327 119.800 0.061 0.000 2.425 319 Q HA 0.407 4.746 4.340 -0.002 0.000 0.254 319 Q C -1.361 174.662 176.000 0.038 0.000 1.032 319 Q CA -0.892 54.937 55.803 0.045 0.000 0.798 319 Q CB 1.111 29.874 28.738 0.041 0.000 1.210 319 Q HN 0.485 nan 8.270 nan 0.000 0.491 320 I N 7.141 127.729 120.570 0.031 0.000 2.371 320 I HA 0.219 4.388 4.170 -0.002 0.000 0.290 320 I C -2.046 174.082 176.117 0.019 0.000 1.028 320 I CA -2.425 58.889 61.300 0.024 0.000 1.345 320 I CB 1.018 39.029 38.000 0.018 0.000 1.407 320 I HN 0.471 nan 8.210 nan 0.000 0.501 321 P HA 0.117 nan 4.420 nan 0.000 0.264 321 P C -0.166 177.140 177.300 0.010 0.000 1.236 321 P CA 0.209 63.316 63.100 0.013 0.000 0.811 321 P CB 0.265 31.971 31.700 0.010 0.000 0.840 322 S N 2.050 117.757 115.700 0.012 0.000 3.947 322 S HA -0.045 4.424 4.470 -0.002 0.000 0.305 322 S C -0.334 174.275 174.600 0.015 0.000 1.115 322 S CA -0.297 57.909 58.200 0.011 0.000 0.819 322 S CB -2.812 60.393 63.200 0.007 0.000 0.851 322 S HN 0.403 nan 8.310 nan 0.000 0.589 323 I N 0.005 120.586 120.570 0.018 0.000 2.735 323 I HA 0.354 4.522 4.170 -0.002 0.000 0.287 323 I C 0.855 176.986 176.117 0.023 0.000 1.452 323 I CA -0.818 60.495 61.300 0.023 0.000 1.061 323 I CB 1.683 39.698 38.000 0.025 0.000 1.383 323 I HN 0.211 nan 8.210 nan 0.000 0.425 324 R N 3.297 123.812 120.500 0.024 0.000 2.075 324 R HA 0.072 4.411 4.340 -0.002 0.000 0.232 324 R C 0.458 176.772 176.300 0.024 0.000 1.126 324 R CA 1.401 57.514 56.100 0.022 0.000 0.963 324 R CB 0.313 30.625 30.300 0.020 0.000 0.858 324 R HN 0.594 nan 8.270 nan 0.000 0.435 325 Q N 0.967 120.783 119.800 0.027 0.000 2.230 325 Q HA 0.183 4.521 4.340 -0.002 0.000 0.253 325 Q C -1.059 174.952 176.000 0.018 0.000 0.919 325 Q CA -0.916 54.902 55.803 0.025 0.000 0.908 325 Q CB 1.526 30.282 28.738 0.030 0.000 1.245 325 Q HN 0.228 nan 8.270 nan 0.000 0.437 326 N N 1.801 120.510 118.700 0.015 0.000 2.412 326 N HA -0.014 4.725 4.740 -0.002 0.000 0.254 326 N C -0.707 174.784 175.510 -0.031 0.000 1.232 326 N CA 0.152 53.208 53.050 0.009 0.000 0.880 326 N CB 0.379 38.884 38.487 0.030 0.000 1.076 326 N HN 0.373 nan 8.380 nan 0.000 0.458 327 L N 2.936 124.149 121.223 -0.016 0.000 2.331 327 L HA 0.220 4.559 4.340 -0.002 0.000 0.278 327 L C -0.593 176.239 176.870 -0.062 0.000 1.106 327 L CA -0.298 54.526 54.840 -0.027 0.000 0.824 327 L CB 1.007 43.074 42.059 0.012 0.000 1.142 327 L HN 0.212 nan 8.230 nan 0.000 0.443 328 V N 6.239 126.084 119.914 -0.114 0.000 2.370 328 V HA 0.253 4.372 4.120 -0.002 0.000 0.279 328 V C -0.591 175.518 176.094 0.026 0.000 1.029 328 V CA -0.572 61.624 62.300 -0.175 0.000 0.870 328 V CB 0.871 32.506 31.823 -0.313 0.000 0.984 328 V HN 0.607 nan 8.190 nan 0.000 0.451 329 Y N 5.704 125.974 120.300 -0.050 0.000 2.457 329 Y HA 0.760 5.309 4.550 -0.002 0.000 0.333 329 Y C 0.003 175.909 175.900 0.011 0.000 1.119 329 Y CA -1.541 56.568 58.100 0.015 0.000 1.143 329 Y CB 1.440 39.956 38.460 0.092 0.000 1.230 329 Y HN 0.594 nan 8.280 nan 0.000 0.469 330 R N 4.358 124.407 120.500 -0.753 0.000 2.522 330 R HA 0.353 4.692 4.340 -0.002 0.000 0.283 330 R C -1.793 174.054 176.300 -0.755 0.000 1.074 330 R CA -0.542 55.216 56.100 -0.571 0.000 0.925 330 R CB 1.478 31.618 30.300 -0.267 0.000 1.205 330 R HN 0.896 nan 8.270 nan 0.000 0.436 331 Q N 2.479 121.975 119.800 -0.508 0.000 2.553 331 Q HA 0.382 4.721 4.340 -0.002 0.000 0.293 331 Q C -1.330 174.597 176.000 -0.123 0.000 1.038 331 Q CA -0.820 54.812 55.803 -0.284 0.000 0.777 331 Q CB 2.298 30.919 28.738 -0.196 0.000 1.487 331 Q HN 0.682 nan 8.270 nan 0.000 0.426 332 N N 1.132 119.802 118.700 -0.051 0.000 2.492 332 N HA 0.240 4.979 4.740 -0.002 0.000 0.289 332 N C -0.893 174.613 175.510 -0.007 0.000 1.133 332 N CA -0.118 52.915 53.050 -0.027 0.000 0.961 332 N CB 0.901 39.381 38.487 -0.012 0.000 1.186 332 N HN 0.759 nan 8.380 nan 0.000 0.493 333 D N -1.111 119.283 120.400 -0.009 0.000 3.923 333 D HA -0.264 4.375 4.640 -0.002 0.000 0.159 333 D C 0.860 177.159 176.300 -0.002 0.000 1.003 333 D CA 1.990 55.989 54.000 -0.001 0.000 1.071 333 D CB -0.739 40.067 40.800 0.010 0.000 0.567 333 D HN 0.195 nan 8.370 nan 0.000 0.615 334 V N -2.324 117.597 119.914 0.010 0.000 2.504 334 V HA 0.460 4.579 4.120 -0.002 0.000 0.215 334 V C 1.370 177.477 176.094 0.022 0.000 1.123 334 V CA 0.577 62.884 62.300 0.011 0.000 1.143 334 V CB -0.952 30.880 31.823 0.016 0.000 0.743 334 V HN 1.136 nan 8.190 nan 0.000 0.494 335 V N 1.548 121.491 119.914 0.048 0.000 4.139 335 V HA -0.158 3.961 4.120 -0.002 0.000 0.423 335 V C -0.489 175.628 176.094 0.038 0.000 0.673 335 V CA 0.541 62.889 62.300 0.080 0.000 1.778 335 V CB -1.697 30.194 31.823 0.114 0.000 2.178 335 V HN 0.597 nan 8.190 nan 0.000 0.486 336 L N 4.990 126.239 121.223 0.044 0.000 2.295 336 L HA 0.700 5.039 4.340 -0.002 0.000 0.288 336 L C 0.017 176.902 176.870 0.024 0.000 1.079 336 L CA -0.255 54.597 54.840 0.022 0.000 0.830 336 L CB 1.020 43.093 42.059 0.025 0.000 1.200 336 L HN 0.418 nan 8.230 nan 0.000 0.438 337 V N 1.528 121.432 119.914 -0.017 0.000 2.962 337 V HA 0.510 4.629 4.120 -0.002 0.000 0.313 337 V C -0.401 175.672 176.094 -0.036 0.000 1.099 337 V CA -0.931 61.353 62.300 -0.025 0.000 0.971 337 V CB 2.558 34.306 31.823 -0.125 0.000 1.028 337 V HN 0.491 nan 8.190 nan 0.000 0.430 338 E N 1.275 121.467 120.200 -0.014 0.000 2.191 338 E HA 0.438 4.787 4.350 -0.002 0.000 0.274 338 E C -0.452 176.138 176.600 -0.016 0.000 0.948 338 E CA -0.657 55.734 56.400 -0.014 0.000 0.802 338 E CB 2.082 31.782 29.700 0.001 0.000 1.137 338 E HN 0.704 nan 8.360 nan 0.000 0.397 339 E N -0.052 120.134 120.200 -0.022 0.000 2.459 339 E HA 0.102 4.450 4.350 -0.002 0.000 0.264 339 E C 0.907 177.507 176.600 -0.000 0.000 1.055 339 E CA 1.109 57.499 56.400 -0.017 0.000 0.957 339 E CB 0.280 29.968 29.700 -0.021 0.000 0.952 339 E HN 0.809 nan 8.360 nan 0.000 0.448 340 G N 1.165 109.970 108.800 0.007 0.000 2.267 340 G HA2 -0.360 3.599 3.960 -0.002 0.000 0.257 340 G HA3 -0.360 3.599 3.960 -0.002 0.000 0.257 340 G C 0.377 175.294 174.900 0.027 0.000 0.998 340 G CA 0.197 45.306 45.100 0.016 0.000 0.620 340 G HN 0.820 nan 8.290 nan 0.000 0.529 341 A N 0.504 123.344 122.820 0.033 0.000 2.351 341 A HA 0.687 5.006 4.320 -0.002 0.000 0.257 341 A C 0.898 178.532 177.584 0.083 0.000 1.087 341 A CA 1.094 53.164 52.037 0.055 0.000 0.798 341 A CB 0.253 19.291 19.000 0.063 0.000 1.033 341 A HN 1.688 nan 8.150 nan 0.000 0.488 342 T N -0.677 113.931 114.554 0.090 0.000 2.817 342 T HA 0.571 4.920 4.350 -0.002 0.000 0.293 342 T C -0.710 174.095 174.700 0.175 0.000 0.964 342 T CA -0.157 62.004 62.100 0.102 0.000 1.085 342 T CB 0.323 69.222 68.868 0.052 0.000 0.921 342 T HN 0.467 nan 8.240 nan 0.000 0.502 343 F N 1.923 121.862 119.950 -0.018 0.000 2.551 343 F HA 0.697 5.223 4.527 -0.002 0.000 0.316 343 F C -0.594 175.167 175.800 -0.064 0.000 1.089 343 F CA -1.043 56.936 58.000 -0.035 0.000 0.915 343 F CB 1.790 40.774 39.000 -0.026 0.000 1.186 343 F HN 0.970 nan 8.300 nan 0.000 0.456 344 A N 5.561 128.002 122.820 -0.632 0.000 2.355 344 A HA 0.857 5.176 4.320 -0.002 0.000 0.317 344 A C -1.499 175.696 177.584 -0.650 0.000 1.094 344 A CA -0.520 51.244 52.037 -0.455 0.000 0.764 344 A CB 0.951 19.765 19.000 -0.310 0.000 1.230 344 A HN 0.708 nan 8.150 nan 0.000 0.448 345 I N -0.582 119.752 120.570 -0.394 0.000 2.934 345 I HA 0.825 4.993 4.170 -0.002 0.000 0.306 345 I C 0.365 176.360 176.117 -0.203 0.000 1.110 345 I CA -0.874 60.193 61.300 -0.388 0.000 1.019 345 I CB 1.728 39.452 38.000 -0.460 0.000 1.227 345 I HN 0.640 nan 8.210 nan 0.000 0.434 346 G N 3.393 112.106 108.800 -0.145 0.000 2.425 346 G HA2 0.586 4.545 3.960 -0.002 0.000 0.302 346 G HA3 0.586 4.545 3.960 -0.002 0.000 0.302 346 G C -1.043 173.844 174.900 -0.021 0.000 1.159 346 G CA -0.600 44.461 45.100 -0.065 0.000 0.865 346 G HN 0.686 nan 8.290 nan 0.000 0.515 347 L N 3.206 124.424 121.223 -0.007 0.000 2.366 347 L HA 0.426 4.765 4.340 -0.002 0.000 0.266 347 L C -2.347 174.535 176.870 0.021 0.000 1.010 347 L CA -2.160 52.688 54.840 0.014 0.000 0.879 347 L CB 1.840 43.903 42.059 0.007 0.000 1.228 347 L HN 0.240 nan 8.230 nan 0.000 0.439 348 P HA 0.287 nan 4.420 nan 0.000 0.279 348 P C -2.166 175.145 177.300 0.017 0.000 1.318 348 P CA -1.461 61.651 63.100 0.019 0.000 0.819 348 P CB 0.463 32.168 31.700 0.007 0.000 0.927 349 P HA -0.187 nan 4.420 nan 0.000 0.218 349 P C 0.849 178.160 177.300 0.018 0.000 1.146 349 P CA 1.497 64.618 63.100 0.035 0.000 0.813 349 P CB 0.039 31.779 31.700 0.066 0.000 0.778 350 E N -0.791 119.413 120.200 0.007 0.000 2.347 350 E HA -0.084 4.265 4.350 -0.002 0.000 0.196 350 E C 1.619 178.118 176.600 -0.169 0.000 1.008 350 E CA 0.745 57.133 56.400 -0.020 0.000 0.852 350 E CB -0.470 29.241 29.700 0.019 0.000 0.783 350 E HN 0.178 nan 8.360 nan 0.000 0.505 351 R N -0.209 120.212 120.500 -0.130 0.000 2.432 351 R HA 0.249 4.587 4.340 -0.002 0.000 0.260 351 R C -0.307 175.970 176.300 -0.038 0.000 0.935 351 R CA -0.127 55.897 56.100 -0.127 0.000 1.080 351 R CB -0.281 29.974 30.300 -0.076 0.000 1.155 351 R HN 0.145 nan 8.270 nan 0.000 0.531 352 C N 1.139 120.408 119.300 -0.052 0.000 2.459 352 C HA 0.384 4.842 4.460 -0.002 0.000 0.374 352 C C 0.388 175.300 174.990 -0.131 0.000 1.241 352 C CA -0.459 58.566 59.018 0.012 0.000 2.352 352 C CB 0.276 28.028 27.740 0.021 0.000 2.490 352 C HN 0.398 nan 8.230 nan 0.000 0.583 353 H N 0.666 119.689 119.070 -0.079 0.000 2.569 353 H HA 0.733 5.288 4.556 -0.002 0.000 0.357 353 H C -0.778 174.341 175.328 -0.348 0.000 1.153 353 H CA -0.605 55.295 56.048 -0.246 0.000 1.193 353 H CB 1.042 30.627 29.762 -0.296 0.000 1.602 353 H HN 0.414 nan 8.280 nan 0.000 0.523 354 L N 3.053 124.034 121.223 -0.403 0.000 2.381 354 L HA 0.482 4.821 4.340 -0.002 0.000 0.274 354 L C -1.729 174.863 176.870 -0.462 0.000 0.988 354 L CA -0.379 54.291 54.840 -0.283 0.000 0.824 354 L CB 0.396 42.393 42.059 -0.102 0.000 1.263 354 L HN 0.497 nan 8.230 nan 0.000 0.410 355 F N 3.631 123.659 119.950 0.129 0.000 2.495 355 F HA 0.630 5.156 4.527 -0.002 0.000 0.327 355 F C 0.712 176.549 175.800 0.062 0.000 1.103 355 F CA -0.798 57.261 58.000 0.099 0.000 0.949 355 F CB 1.435 40.492 39.000 0.095 0.000 1.142 355 F HN 0.342 nan 8.300 nan 0.000 0.457 356 R N 1.331 121.961 120.500 0.216 0.000 2.668 356 R HA 0.179 4.518 4.340 -0.002 0.000 0.268 356 R C 1.113 177.478 176.300 0.108 0.000 1.232 356 R CA -0.701 55.475 56.100 0.126 0.000 1.166 356 R CB 0.477 30.833 30.300 0.093 0.000 1.179 356 R HN 0.676 nan 8.270 nan 0.000 0.606 357 E N 1.308 121.548 120.200 0.066 0.000 2.110 357 E HA -0.170 4.179 4.350 -0.002 0.000 0.193 357 E C 1.024 177.642 176.600 0.030 0.000 0.988 357 E CA 1.362 57.786 56.400 0.040 0.000 0.804 357 E CB -0.089 29.627 29.700 0.027 0.000 0.745 357 E HN 0.535 nan 8.360 nan 0.000 0.458 358 D N -0.463 119.961 120.400 0.039 0.000 2.363 358 D HA 0.006 4.645 4.640 -0.002 0.000 0.220 358 D C 1.411 177.732 176.300 0.034 0.000 0.994 358 D CA 0.877 54.894 54.000 0.028 0.000 0.890 358 D CB -0.043 40.775 40.800 0.031 0.000 0.906 358 D HN 0.301 nan 8.370 nan 0.000 0.530 359 G N 0.589 109.426 108.800 0.062 0.000 2.176 359 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.253 359 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.253 359 G C 0.487 175.499 174.900 0.187 0.000 0.979 359 G CA 0.435 45.575 45.100 0.066 0.000 0.641 359 G HN 0.538 nan 8.290 nan 0.000 0.530 360 T N -0.058 114.602 114.554 0.176 0.000 2.919 360 T HA 0.643 4.991 4.350 -0.002 0.000 0.302 360 T C 0.534 175.395 174.700 0.268 0.000 1.031 360 T CA 0.278 62.498 62.100 0.199 0.000 1.127 360 T CB 2.111 71.050 68.868 0.118 0.000 0.952 360 T HN 1.602 nan 8.240 nan 0.000 0.540 361 A N 1.530 124.510 122.820 0.266 0.000 2.328 361 A HA 0.469 4.787 4.320 -0.002 0.000 0.284 361 A C 0.899 178.508 177.584 0.040 0.000 1.160 361 A CA -1.064 51.042 52.037 0.114 0.000 0.818 361 A CB -0.295 18.782 19.000 0.127 0.000 1.087 361 A HN 1.165 nan 8.150 nan 0.000 0.504 362 C N 2.863 122.146 119.300 -0.028 0.000 2.400 362 C HA 0.557 5.016 4.460 -0.002 0.000 0.457 362 C C 0.825 175.808 174.990 -0.012 0.000 1.020 362 C CA -1.040 57.975 59.018 -0.004 0.000 1.258 362 C CB -2.245 25.494 27.740 -0.002 0.000 1.532 362 C HN 0.978 nan 8.230 nan 0.000 0.537 363 R N 1.616 122.127 120.500 0.018 0.000 2.793 363 R HA -0.194 4.144 4.340 -0.002 0.000 0.231 363 R C 0.093 176.413 176.300 0.034 0.000 0.879 363 R CA 0.994 57.118 56.100 0.040 0.000 1.002 363 R CB 0.371 30.687 30.300 0.027 0.000 0.918 363 R HN 0.779 nan 8.270 nan 0.000 0.400 364 R N 3.760 124.311 120.500 0.085 0.000 2.390 364 R HA 0.143 4.482 4.340 -0.002 0.000 0.291 364 R C 0.679 177.045 176.300 0.110 0.000 1.070 364 R CA -0.230 55.931 56.100 0.101 0.000 1.014 364 R CB 0.668 31.081 30.300 0.188 0.000 1.007 364 R HN 0.586 nan 8.270 nan 0.000 0.466 365 L N 1.845 123.121 121.223 0.089 0.000 2.693 365 L HA 0.151 4.490 4.340 -0.002 0.000 0.235 365 L C 0.951 177.862 176.870 0.070 0.000 1.127 365 L CA -0.222 54.648 54.840 0.050 0.000 0.914 365 L CB -0.137 41.934 42.059 0.019 0.000 1.193 365 L HN 0.634 nan 8.230 nan 0.000 0.502 366 H N 2.135 121.232 119.070 0.045 0.000 2.598 366 H HA 0.285 4.840 4.556 -0.003 0.000 0.371 366 H C -0.522 174.847 175.328 0.068 0.000 1.468 366 H CA 0.360 56.427 56.048 0.031 0.000 1.454 366 H CB 0.960 30.722 29.762 0.001 0.000 1.579 366 H HN 0.012 nan 8.280 nan 0.000 0.611 367 K N 1.481 121.885 120.400 0.006 0.000 2.385 367 K HA 0.415 4.733 4.320 -0.002 0.000 0.248 367 K C -0.641 176.144 176.600 0.309 0.000 0.955 367 K CA -0.802 55.566 56.287 0.135 0.000 0.816 367 K CB 2.510 34.950 32.500 -0.099 0.000 1.250 367 K HN 0.615 nan 8.250 nan 0.000 0.434 368 E N 0.495 120.790 120.200 0.159 0.000 2.437 368 E HA 0.156 4.504 4.350 -0.002 0.000 0.280 368 E C -2.100 174.520 176.600 0.033 0.000 1.044 368 E CA -1.644 54.754 56.400 -0.004 0.000 0.826 368 E CB 1.350 30.808 29.700 -0.404 0.000 1.358 368 E HN 0.308 nan 8.360 nan 0.000 0.459 369 P HA -0.070 nan 4.420 nan 0.000 0.220 369 P C 0.276 177.635 177.300 0.099 0.000 1.144 369 P CA 0.970 64.108 63.100 0.065 0.000 0.800 369 P CB 0.188 31.933 31.700 0.075 0.000 0.772 370 G N 0.000 108.889 108.800 0.148 0.000 5.446 370 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 370 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 370 G CA 0.000 45.194 45.100 0.157 0.000 0.502 370 G HN 0.000 nan 8.290 nan 0.000 0.925