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 1y9d_1_A DATA FIRST_RESID 9 DATA SEQUENCE TNILAGAAVI KVLEAWGVDH LYGIPGGSIN SIMDALSAER DRIHYIQVRH DATA SEQUENCE EEVGAMAAAA DAKLTGKIGV CFGSAGPGGT HLMNGLYDAR EDHVPVLALI DATA SEQUENCE GQFGTTGXXX XXXXEMNENP IYADVADYNV TAVNAATLPH VIDEAIRRAY DATA SEQUENCE AHQGVAVVQI PVDLPWQQIP AEDWXXXXXX XXXPLLPEPD VQAVTRLTQT DATA SEQUENCE LLAAERPLIY YGIGARKAGK ELEQLSKTLK IPLMSTYPAK GIVADRYPAY DATA SEQUENCE LGSANRAAQK PANEALAQAD VVLFVGNNXX XXXXXXXXXN TRYFLQIDID DATA SEQUENCE PAKLGKRHKT DIAVLADAQK TLAAILAQVS ERESTPWWQA NLANVKNWRA DATA SEQUENCE YLASLEDKQE GPLQAYQVLR AVNKIAEPDA IYSIDVGDIN LNANRHLKLT DATA SEQUENCE PSNRHITSNL FATMGVGIPG AIAAKLNYPE RQVFNLAGDG GASMTMQDLA DATA SEQUENCE TQVQYHLPVI NVVFTNCQYG FIKDEQEDTN QNDFIGVEFN DIDFSKIADG DATA SEQUENCE VHMQAFRVNK IEQLPDVFEQ AKAIAQHEPV LIDAVITGDR PLPAEKLRLD DATA SEQUENCE SAMSSAADIE AFKQRYEAQD LQPLSTYLKQ FGLDD 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.727 174.700 0.045 0.000 1.109 9 T CA 0.000 62.114 62.100 0.024 0.000 1.349 9 T CB 0.000 68.879 68.868 0.018 0.000 0.612 10 N N 0.445 119.176 118.700 0.052 0.000 2.335 10 N HA 0.768 5.507 4.740 -0.001 0.000 0.304 10 N C -1.594 173.966 175.510 0.083 0.000 1.135 10 N CA -0.586 52.504 53.050 0.066 0.000 0.817 10 N CB 2.585 41.102 38.487 0.050 0.000 1.294 10 N HN 0.365 nan 8.380 nan 0.000 0.497 11 I N 1.403 122.032 120.570 0.098 0.000 2.827 11 I HA 0.313 4.482 4.170 -0.001 0.000 0.298 11 I C -1.159 174.999 176.117 0.068 0.000 1.235 11 I CA -0.746 60.613 61.300 0.097 0.000 1.021 11 I CB 1.871 39.967 38.000 0.160 0.000 1.259 11 I HN 0.379 nan 8.210 nan 0.000 0.427 12 L N 6.142 127.396 121.223 0.052 0.000 2.499 12 L HA 0.156 4.496 4.340 -0.001 0.000 0.273 12 L C 1.605 178.470 176.870 -0.007 0.000 1.195 12 L CA 0.251 55.117 54.840 0.043 0.000 0.882 12 L CB 1.107 43.207 42.059 0.069 0.000 1.133 12 L HN 0.879 nan 8.230 nan 0.000 0.483 13 A N 3.733 126.543 122.820 -0.017 0.000 1.958 13 A HA -0.204 4.116 4.320 -0.001 0.000 0.221 13 A C 2.137 179.639 177.584 -0.137 0.000 1.178 13 A CA 2.175 54.167 52.037 -0.075 0.000 0.642 13 A CB -1.013 17.955 19.000 -0.054 0.000 0.816 13 A HN 1.001 nan 8.150 nan 0.000 0.453 14 G N -0.938 107.784 108.800 -0.130 0.000 2.402 14 G HA2 0.041 4.001 3.960 -0.001 0.000 0.216 14 G HA3 0.041 4.001 3.960 -0.001 0.000 0.216 14 G C 1.746 176.546 174.900 -0.168 0.000 1.162 14 G CA 1.376 46.367 45.100 -0.182 0.000 0.777 14 G HN 0.847 nan 8.290 nan 0.000 0.539 15 A N 1.329 124.080 122.820 -0.115 0.000 1.877 15 A HA 0.229 4.548 4.320 -0.001 0.000 0.216 15 A C 2.843 180.319 177.584 -0.180 0.000 1.186 15 A CA 2.336 54.313 52.037 -0.100 0.000 0.620 15 A CB -0.906 18.078 19.000 -0.028 0.000 0.822 15 A HN 0.811 nan 8.150 nan 0.000 0.443 16 A N -0.494 122.165 122.820 -0.269 0.000 1.883 16 A HA -0.073 4.246 4.320 -0.001 0.000 0.217 16 A C 2.246 179.441 177.584 -0.648 0.000 1.186 16 A CA 1.969 53.624 52.037 -0.637 0.000 0.624 16 A CB -1.122 17.442 19.000 -0.727 0.000 0.822 16 A HN 0.438 nan 8.150 nan 0.000 0.444 17 V N 0.572 120.250 119.914 -0.394 0.000 2.282 17 V HA -0.292 3.828 4.120 -0.001 0.000 0.249 17 V C 2.424 178.375 176.094 -0.238 0.000 1.057 17 V CA 2.071 64.195 62.300 -0.292 0.000 1.032 17 V CB -0.682 31.007 31.823 -0.222 0.000 0.645 17 V HN 0.551 nan 8.190 nan 0.000 0.447 18 I N -0.502 119.946 120.570 -0.203 0.000 2.394 18 I HA -0.113 4.056 4.170 -0.001 0.000 0.251 18 I C 2.385 178.437 176.117 -0.107 0.000 1.136 18 I CA 1.306 62.525 61.300 -0.135 0.000 1.425 18 I CB -1.324 36.607 38.000 -0.115 0.000 1.079 18 I HN 0.300 nan 8.210 nan 0.000 0.425 19 K N 0.853 121.158 120.400 -0.158 0.000 2.097 19 K HA -0.049 4.270 4.320 -0.001 0.000 0.206 19 K C 2.302 178.876 176.600 -0.044 0.000 1.049 19 K CA 0.782 57.025 56.287 -0.074 0.000 0.933 19 K CB -0.959 31.535 32.500 -0.011 0.000 0.717 19 K HN 0.192 nan 8.250 nan 0.000 0.442 20 V N 2.047 121.832 119.914 -0.215 0.000 2.287 20 V HA -0.248 3.871 4.120 -0.001 0.000 0.248 20 V C 2.458 178.671 176.094 0.199 0.000 1.053 20 V CA 1.582 63.898 62.300 0.028 0.000 1.027 20 V CB -0.548 31.257 31.823 -0.031 0.000 0.646 20 V HN 0.191 nan 8.190 nan 0.000 0.447 21 L N -0.327 120.941 121.223 0.075 0.000 2.012 21 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 21 L C 2.614 179.561 176.870 0.127 0.000 1.073 21 L CA 1.992 56.886 54.840 0.089 0.000 0.748 21 L CB -0.780 41.279 42.059 0.000 0.000 0.891 21 L HN 0.422 nan 8.230 nan 0.000 0.431 22 E N 0.252 120.501 120.200 0.082 0.000 2.077 22 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 22 E C 2.293 178.956 176.600 0.105 0.000 0.989 22 E CA 1.137 57.583 56.400 0.077 0.000 0.800 22 E CB -0.230 29.501 29.700 0.051 0.000 0.746 22 E HN 0.496 nan 8.360 nan 0.000 0.452 23 A N 0.311 123.207 122.820 0.126 0.000 2.024 23 A HA -0.164 4.155 4.320 -0.001 0.000 0.220 23 A C 1.351 178.927 177.584 -0.014 0.000 1.164 23 A CA 0.997 53.069 52.037 0.058 0.000 0.643 23 A CB -0.707 18.342 19.000 0.081 0.000 0.806 23 A HN 0.391 nan 8.150 nan 0.000 0.451 24 W N -1.422 119.909 121.300 0.053 0.000 3.278 24 W HA 0.393 5.053 4.660 -0.001 0.000 0.308 24 W C 1.506 178.057 176.519 0.054 0.000 1.253 24 W CA 0.670 58.052 57.345 0.061 0.000 1.759 24 W CB 0.386 29.889 29.460 0.072 0.000 1.093 24 W HN 0.534 nan 8.180 nan 0.000 0.648 25 G N 0.144 109.067 108.800 0.205 0.000 2.141 25 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.242 25 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.242 25 G C 0.003 174.964 174.900 0.102 0.000 0.982 25 G CA -0.056 45.123 45.100 0.132 0.000 0.662 25 G HN -0.012 nan 8.290 nan 0.000 0.527 26 V N 1.134 121.108 119.914 0.099 0.000 2.450 26 V HA 0.256 4.375 4.120 -0.001 0.000 0.281 26 V C 1.464 177.553 176.094 -0.009 0.000 1.019 26 V CA 1.313 63.619 62.300 0.011 0.000 1.062 26 V CB 1.236 33.061 31.823 0.003 0.000 0.979 26 V HN 0.505 nan 8.190 nan 0.000 0.477 27 D N 3.199 123.568 120.400 -0.050 0.000 2.197 27 D HA -0.007 4.633 4.640 -0.001 0.000 0.212 27 D C 0.739 177.104 176.300 0.108 0.000 0.963 27 D CA 0.794 54.833 54.000 0.066 0.000 0.864 27 D CB 0.360 41.242 40.800 0.136 0.000 1.009 27 D HN 0.794 nan 8.370 nan 0.000 0.479 28 H N -1.059 117.992 119.070 -0.033 0.000 2.928 28 H HA 0.541 5.096 4.556 -0.001 0.000 0.371 28 H C -0.742 174.438 175.328 -0.246 0.000 1.186 28 H CA -1.186 54.776 56.048 -0.144 0.000 1.134 28 H CB 1.079 30.696 29.762 -0.243 0.000 1.824 28 H HN 0.148 nan 8.280 nan 0.000 0.554 29 L N -0.570 120.510 121.223 -0.238 0.000 2.469 29 L HA 0.674 5.014 4.340 -0.001 0.000 0.256 29 L C -2.048 174.627 176.870 -0.325 0.000 1.006 29 L CA -1.182 53.530 54.840 -0.214 0.000 0.832 29 L CB 2.512 44.617 42.059 0.076 0.000 1.421 29 L HN 0.468 nan 8.230 nan 0.000 0.410 30 Y N 0.368 120.668 120.300 -0.000 0.000 2.429 30 Y HA 0.975 5.524 4.550 -0.001 0.000 0.342 30 Y C 0.663 176.258 175.900 -0.508 0.000 1.004 30 Y CA -0.136 57.854 58.100 -0.182 0.000 1.075 30 Y CB 2.357 40.722 38.460 -0.158 0.000 1.214 30 Y HN 1.037 nan 8.280 nan 0.000 0.455 31 G N 1.179 109.714 108.800 -0.442 0.000 2.320 31 G HA2 0.531 4.490 3.960 -0.001 0.000 0.296 31 G HA3 0.531 4.490 3.960 -0.001 0.000 0.296 31 G C -2.238 172.532 174.900 -0.216 0.000 1.306 31 G CA -0.910 43.606 45.100 -0.972 0.000 0.836 31 G HN 0.499 nan 8.290 nan 0.000 0.517 32 I N 2.059 122.597 120.570 -0.053 0.000 2.533 32 I HA 0.404 4.573 4.170 -0.001 0.000 0.290 32 I C -2.116 174.224 176.117 0.372 0.000 1.056 32 I CA -2.037 59.395 61.300 0.220 0.000 1.057 32 I CB 3.009 41.084 38.000 0.124 0.000 1.240 32 I HN 0.297 nan 8.210 nan 0.000 0.423 33 P HA 0.413 nan 4.420 nan 0.000 0.276 33 P C -0.448 176.934 177.300 0.137 0.000 1.252 33 P CA -0.090 63.146 63.100 0.227 0.000 0.802 33 P CB 1.438 33.213 31.700 0.126 0.000 1.035 34 G N -1.282 107.560 108.800 0.070 0.000 2.660 34 G HA2 0.450 4.410 3.960 -0.001 0.000 0.290 34 G HA3 0.450 4.410 3.960 -0.001 0.000 0.290 34 G C 0.702 175.599 174.900 -0.006 0.000 1.432 34 G CA -0.152 44.973 45.100 0.042 0.000 0.807 34 G HN 0.457 nan 8.290 nan 0.000 0.485 35 G N -0.052 108.740 108.800 -0.015 0.000 2.450 35 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.220 35 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.220 35 G C 2.006 176.847 174.900 -0.099 0.000 1.130 35 G CA 2.195 47.269 45.100 -0.043 0.000 0.760 35 G HN 1.447 nan 8.290 nan 0.000 0.557 36 S N -0.589 115.051 115.700 -0.100 0.000 2.507 36 S HA 0.155 4.624 4.470 -0.001 0.000 0.235 36 S C 1.688 176.201 174.600 -0.145 0.000 0.988 36 S CA 0.735 58.865 58.200 -0.118 0.000 0.944 36 S CB 0.029 63.215 63.200 -0.024 0.000 0.762 36 S HN 0.335 nan 8.310 nan 0.000 0.526 37 I N 0.260 120.735 120.570 -0.159 0.000 4.102 37 I HA 0.283 4.452 4.170 -0.001 0.000 0.325 37 I C 0.731 176.648 176.117 -0.333 0.000 1.471 37 I CA -0.120 61.029 61.300 -0.252 0.000 1.133 37 I CB 0.301 38.176 38.000 -0.208 0.000 1.184 37 I HN 0.026 nan 8.210 nan 0.000 0.451 38 N N 0.900 119.435 118.700 -0.276 0.000 2.364 38 N HA -0.142 4.598 4.740 -0.001 0.000 0.183 38 N C 1.987 177.248 175.510 -0.415 0.000 1.022 38 N CA 1.692 54.605 53.050 -0.228 0.000 0.883 38 N CB 0.043 38.519 38.487 -0.018 0.000 0.965 38 N HN 0.503 nan 8.380 nan 0.000 0.438 39 S N -0.168 114.975 115.700 -0.928 0.000 2.414 39 S HA 0.046 4.515 4.470 -0.001 0.000 0.227 39 S C 1.918 176.079 174.600 -0.730 0.000 1.022 39 S CA 0.258 57.615 58.200 -1.405 0.000 0.958 39 S CB -0.062 61.730 63.200 -2.346 0.000 0.797 39 S HN 0.082 nan 8.310 nan 0.000 0.493 40 I N 1.700 121.922 120.570 -0.579 0.000 2.286 40 I HA -0.039 4.130 4.170 -0.001 0.000 0.245 40 I C 2.434 178.289 176.117 -0.436 0.000 1.104 40 I CA 1.099 62.115 61.300 -0.473 0.000 1.397 40 I CB -1.027 36.669 38.000 -0.506 0.000 1.072 40 I HN 0.297 nan 8.210 nan 0.000 0.417 41 M N 0.221 119.550 119.600 -0.453 0.000 2.073 41 M HA -0.261 4.218 4.480 -0.001 0.000 0.258 41 M C 2.031 178.199 176.300 -0.220 0.000 1.070 41 M CA 1.743 56.819 55.300 -0.373 0.000 1.103 41 M CB -1.583 30.845 32.600 -0.287 0.000 1.321 41 M HN 0.162 nan 8.290 nan 0.000 0.405 42 D N 0.045 120.362 120.400 -0.138 0.000 2.116 42 D HA -0.111 4.528 4.640 -0.001 0.000 0.193 42 D C 1.907 178.185 176.300 -0.037 0.000 0.998 42 D CA 1.964 55.964 54.000 -0.000 0.000 0.836 42 D CB -0.012 40.912 40.800 0.208 0.000 0.951 42 D HN 0.339 nan 8.370 nan 0.000 0.449 43 A N -0.020 122.734 122.820 -0.109 0.000 1.930 43 A HA -0.078 4.241 4.320 -0.001 0.000 0.217 43 A C 2.516 180.037 177.584 -0.106 0.000 1.175 43 A CA 0.885 52.862 52.037 -0.101 0.000 0.627 43 A CB -0.740 18.170 19.000 -0.150 0.000 0.815 43 A HN 0.340 nan 8.150 nan 0.000 0.443 44 L N -0.811 120.318 121.223 -0.156 0.000 2.083 44 L HA -0.172 4.167 4.340 -0.001 0.000 0.209 44 L C 2.898 179.727 176.870 -0.068 0.000 1.083 44 L CA 1.409 56.171 54.840 -0.130 0.000 0.752 44 L CB -0.409 41.523 42.059 -0.212 0.000 0.899 44 L HN 0.464 nan 8.230 nan 0.000 0.433 45 S N -0.279 115.383 115.700 -0.063 0.000 2.359 45 S HA -0.207 4.262 4.470 -0.001 0.000 0.224 45 S C 2.036 176.639 174.600 0.005 0.000 1.035 45 S CA 1.339 59.533 58.200 -0.010 0.000 1.018 45 S CB -0.149 63.050 63.200 -0.001 0.000 0.876 45 S HN 0.481 nan 8.310 nan 0.000 0.448 46 A N 0.271 123.089 122.820 -0.003 0.000 2.225 46 A HA 0.015 4.335 4.320 -0.001 0.000 0.215 46 A C 1.371 178.955 177.584 -0.000 0.000 1.164 46 A CA 1.044 53.084 52.037 0.005 0.000 0.710 46 A CB -0.101 18.904 19.000 0.008 0.000 0.780 46 A HN 0.500 nan 8.150 nan 0.000 0.473 47 E N -0.809 119.382 120.200 -0.014 0.000 2.812 47 E HA 0.028 4.377 4.350 -0.001 0.000 0.211 47 E C 1.137 177.712 176.600 -0.042 0.000 0.986 47 E CA -0.104 56.281 56.400 -0.026 0.000 1.119 47 E CB 0.091 29.766 29.700 -0.042 0.000 1.046 47 E HN 0.825 nan 8.360 nan 0.000 0.474 48 R N 0.325 120.821 120.500 -0.008 0.000 2.200 48 R HA -0.066 4.274 4.340 -0.001 0.000 0.234 48 R C 0.492 176.781 176.300 -0.018 0.000 1.127 48 R CA 1.060 57.166 56.100 0.011 0.000 0.989 48 R CB -0.038 30.309 30.300 0.079 0.000 0.869 48 R HN -0.069 nan 8.270 nan 0.000 0.459 49 D N 0.532 120.927 120.400 -0.009 0.000 2.350 49 D HA 0.056 4.695 4.640 -0.001 0.000 0.213 49 D C 1.297 177.573 176.300 -0.040 0.000 1.031 49 D CA 0.325 54.343 54.000 0.030 0.000 0.861 49 D CB 0.313 41.150 40.800 0.061 0.000 0.926 49 D HN 0.347 nan 8.370 nan 0.000 0.520 50 R N -0.213 120.211 120.500 -0.125 0.000 2.373 50 R HA 0.380 4.720 4.340 -0.001 0.000 0.221 50 R C 0.411 176.580 176.300 -0.218 0.000 0.893 50 R CA 0.048 56.082 56.100 -0.111 0.000 1.049 50 R CB 1.884 32.160 30.300 -0.039 0.000 1.119 50 R HN 0.025 nan 8.270 nan 0.000 0.535 51 I N 0.880 121.217 120.570 -0.389 0.000 2.722 51 I HA 0.221 4.390 4.170 -0.001 0.000 0.292 51 I C -1.346 174.477 176.117 -0.489 0.000 1.267 51 I CA -0.857 60.234 61.300 -0.347 0.000 1.036 51 I CB 1.906 39.835 38.000 -0.118 0.000 1.281 51 I HN 0.090 nan 8.210 nan 0.000 0.423 52 H N 6.997 126.105 119.070 0.063 0.000 2.641 52 H HA 0.158 4.713 4.556 -0.001 0.000 0.295 52 H C -1.275 174.073 175.328 0.033 0.000 1.070 52 H CA -0.386 55.695 56.048 0.055 0.000 1.257 52 H CB 0.840 30.613 29.762 0.019 0.000 1.393 52 H HN 0.474 nan 8.280 nan 0.000 0.464 53 Y N 4.910 125.237 120.300 0.046 0.000 2.393 53 Y HA 0.157 4.706 4.550 -0.001 0.000 0.338 53 Y C -0.728 175.146 175.900 -0.045 0.000 1.029 53 Y CA -0.888 57.228 58.100 0.027 0.000 1.239 53 Y CB 0.329 38.849 38.460 0.100 0.000 1.170 53 Y HN 0.400 nan 8.280 nan 0.000 0.515 54 I N 7.377 127.442 120.570 -0.841 0.000 2.307 54 I HA 0.175 4.344 4.170 -0.001 0.000 0.289 54 I C -0.103 175.458 176.117 -0.927 0.000 1.021 54 I CA -0.648 60.058 61.300 -0.991 0.000 1.224 54 I CB 0.999 38.501 38.000 -0.831 0.000 1.376 54 I HN 0.640 nan 8.210 nan 0.000 0.470 55 Q N 7.110 126.517 119.800 -0.656 0.000 2.295 55 Q HA 0.403 4.742 4.340 -0.001 0.000 0.259 55 Q C -0.798 175.215 176.000 0.022 0.000 0.976 55 Q CA -0.241 55.410 55.803 -0.253 0.000 0.923 55 Q CB 1.731 30.516 28.738 0.079 0.000 1.185 55 Q HN 0.595 nan 8.270 nan 0.000 0.410 56 V N 2.810 122.738 119.914 0.024 0.000 3.211 56 V HA 0.545 4.664 4.120 -0.001 0.000 0.319 56 V C 0.592 176.731 176.094 0.075 0.000 1.096 56 V CA -0.743 61.594 62.300 0.061 0.000 1.029 56 V CB 1.629 33.474 31.823 0.037 0.000 1.137 56 V HN 0.757 nan 8.190 nan 0.000 0.453 57 R N -0.432 120.114 120.500 0.078 0.000 2.290 57 R HA 0.316 4.655 4.340 -0.001 0.000 0.197 57 R C 0.165 176.528 176.300 0.106 0.000 0.913 57 R CA 0.393 56.542 56.100 0.082 0.000 1.040 57 R CB -0.460 29.882 30.300 0.070 0.000 0.992 57 R HN 0.926 nan 8.270 nan 0.000 0.500 58 H N 0.134 119.196 119.070 -0.013 0.000 2.966 58 H HA 0.184 4.739 4.556 -0.001 0.000 0.347 58 H C -0.135 175.158 175.328 -0.059 0.000 1.048 58 H CA -0.234 55.779 56.048 -0.058 0.000 1.295 58 H CB 1.628 31.311 29.762 -0.131 0.000 1.744 58 H HN -0.207 nan 8.280 nan 0.000 0.513 59 E N 2.380 122.627 120.200 0.079 0.000 2.209 59 E HA -0.214 4.135 4.350 -0.001 0.000 0.196 59 E C 1.791 178.474 176.600 0.139 0.000 0.993 59 E CA 1.488 57.949 56.400 0.101 0.000 0.819 59 E CB 0.165 29.934 29.700 0.115 0.000 0.745 59 E HN 0.804 nan 8.360 nan 0.000 0.477 60 E N 0.585 120.953 120.200 0.280 0.000 2.110 60 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 60 E C 1.841 178.431 176.600 -0.016 0.000 0.988 60 E CA 1.373 57.832 56.400 0.099 0.000 0.804 60 E CB -0.233 29.453 29.700 -0.023 0.000 0.745 60 E HN 0.125 nan 8.360 nan 0.000 0.458 61 V N 1.323 121.216 119.914 -0.034 0.000 2.427 61 V HA -0.134 3.985 4.120 -0.001 0.000 0.248 61 V C 2.461 178.434 176.094 -0.201 0.000 1.051 61 V CA 1.865 64.103 62.300 -0.103 0.000 1.048 61 V CB -0.679 31.106 31.823 -0.065 0.000 0.666 61 V HN 0.576 nan 8.190 nan 0.000 0.456 62 G N -0.443 108.262 108.800 -0.158 0.000 2.402 62 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.216 62 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.216 62 G C 1.776 176.504 174.900 -0.287 0.000 1.162 62 G CA 0.965 45.907 45.100 -0.262 0.000 0.777 62 G HN 0.584 nan 8.290 nan 0.000 0.539 63 A N 0.663 123.407 122.820 -0.127 0.000 1.902 63 A HA 0.029 4.349 4.320 -0.001 0.000 0.217 63 A C 2.457 179.970 177.584 -0.119 0.000 1.181 63 A CA 1.815 53.803 52.037 -0.082 0.000 0.623 63 A CB -0.356 18.639 19.000 -0.008 0.000 0.818 63 A HN 0.381 nan 8.150 nan 0.000 0.443 64 M N -0.684 118.839 119.600 -0.127 0.000 2.175 64 M HA -0.094 4.385 4.480 -0.001 0.000 0.264 64 M C 2.478 178.673 176.300 -0.175 0.000 1.063 64 M CA 1.256 56.493 55.300 -0.105 0.000 1.119 64 M CB -0.320 32.234 32.600 -0.078 0.000 1.377 64 M HN 0.488 nan 8.290 nan 0.000 0.415 65 A N 0.420 123.019 122.820 -0.368 0.000 1.898 65 A HA 0.000 4.319 4.320 -0.001 0.000 0.216 65 A C 2.383 179.738 177.584 -0.382 0.000 1.181 65 A CA 1.693 53.410 52.037 -0.534 0.000 0.620 65 A CB -0.941 17.349 19.000 -1.183 0.000 0.819 65 A HN 0.459 nan 8.150 nan 0.000 0.442 66 A N 0.162 122.762 122.820 -0.365 0.000 1.892 66 A HA 0.029 4.348 4.320 -0.001 0.000 0.218 66 A C 2.537 180.118 177.584 -0.005 0.000 1.188 66 A CA 2.563 54.600 52.037 -0.000 0.000 0.631 66 A CB -1.191 17.826 19.000 0.029 0.000 0.822 66 A HN 1.147 nan 8.150 nan 0.000 0.447 67 A N -0.313 122.480 122.820 -0.044 0.000 1.883 67 A HA 0.095 4.414 4.320 -0.001 0.000 0.217 67 A C 2.536 180.127 177.584 0.012 0.000 1.186 67 A CA 2.443 54.468 52.037 -0.020 0.000 0.624 67 A CB -1.106 17.879 19.000 -0.024 0.000 0.822 67 A HN 1.192 nan 8.150 nan 0.000 0.444 68 A N -0.310 122.516 122.820 0.011 0.000 1.933 68 A HA -0.178 4.141 4.320 -0.001 0.000 0.218 68 A C 1.789 179.429 177.584 0.094 0.000 1.175 68 A CA 1.835 53.903 52.037 0.052 0.000 0.628 68 A CB -0.612 18.414 19.000 0.043 0.000 0.814 68 A HN 0.467 nan 8.150 nan 0.000 0.444 69 D N 0.161 120.628 120.400 0.111 0.000 2.116 69 D HA -0.144 4.495 4.640 -0.001 0.000 0.193 69 D C 2.183 178.544 176.300 0.101 0.000 0.998 69 D CA 1.780 55.866 54.000 0.144 0.000 0.836 69 D CB -0.333 40.559 40.800 0.153 0.000 0.951 69 D HN 0.442 nan 8.370 nan 0.000 0.449 70 A N 0.523 123.384 122.820 0.069 0.000 1.970 70 A HA -0.117 4.202 4.320 -0.001 0.000 0.216 70 A C 2.055 179.690 177.584 0.086 0.000 1.170 70 A CA 1.051 53.126 52.037 0.063 0.000 0.645 70 A CB -0.207 18.805 19.000 0.020 0.000 0.816 70 A HN 0.123 nan 8.150 nan 0.000 0.447 71 K N -0.436 120.013 120.400 0.082 0.000 2.147 71 K HA 0.015 4.334 4.320 -0.001 0.000 0.205 71 K C 1.669 178.332 176.600 0.105 0.000 1.049 71 K CA 1.145 57.483 56.287 0.086 0.000 0.936 71 K CB -0.243 32.301 32.500 0.074 0.000 0.722 71 K HN 0.444 nan 8.250 nan 0.000 0.446 72 L N -0.084 121.221 121.223 0.137 0.000 2.127 72 L HA -0.079 4.261 4.340 -0.001 0.000 0.203 72 L C 2.315 179.313 176.870 0.213 0.000 1.080 72 L CA 1.303 56.260 54.840 0.196 0.000 0.768 72 L CB -0.124 42.106 42.059 0.286 0.000 0.924 72 L HN 0.303 nan 8.230 nan 0.000 0.444 73 T N -5.531 109.125 114.554 0.171 0.000 2.971 73 T HA 0.266 4.615 4.350 -0.001 0.000 0.252 73 T C 1.486 176.268 174.700 0.137 0.000 1.022 73 T CA 0.473 62.668 62.100 0.157 0.000 0.980 73 T CB 0.910 69.843 68.868 0.109 0.000 1.044 73 T HN 0.346 nan 8.240 nan 0.000 0.501 74 G N 1.890 110.771 108.800 0.136 0.000 2.189 74 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.267 74 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.267 74 G C -0.004 175.033 174.900 0.227 0.000 0.975 74 G CA 0.679 45.873 45.100 0.156 0.000 0.644 74 G HN 0.941 nan 8.290 nan 0.000 0.537 75 K N 0.427 120.943 120.400 0.194 0.000 2.110 75 K HA 0.660 4.979 4.320 -0.001 0.000 0.263 75 K C 0.790 177.458 176.600 0.115 0.000 0.975 75 K CA -1.137 55.305 56.287 0.258 0.000 0.895 75 K CB 0.951 33.562 32.500 0.186 0.000 1.060 75 K HN 0.245 nan 8.250 nan 0.000 0.448 76 I N 3.423 123.980 120.570 -0.022 0.000 2.821 76 I HA -0.008 4.161 4.170 -0.001 0.000 0.294 76 I C 0.370 176.406 176.117 -0.135 0.000 1.210 76 I CA 0.598 61.725 61.300 -0.287 0.000 1.430 76 I CB 0.240 37.860 38.000 -0.633 0.000 1.356 76 I HN 0.828 nan 8.210 nan 0.000 0.563 77 G N 6.298 115.039 108.800 -0.100 0.000 2.448 77 G HA2 0.527 4.487 3.960 -0.001 0.000 0.285 77 G HA3 0.527 4.487 3.960 -0.001 0.000 0.285 77 G C -1.068 173.811 174.900 -0.035 0.000 1.176 77 G CA -0.461 44.621 45.100 -0.031 0.000 0.852 77 G HN 0.534 nan 8.290 nan 0.000 0.530 78 V N 0.603 120.535 119.914 0.030 0.000 2.577 78 V HA 0.541 4.661 4.120 -0.001 0.000 0.303 78 V C 0.208 176.398 176.094 0.160 0.000 1.042 78 V CA -0.815 61.512 62.300 0.045 0.000 0.872 78 V CB 0.825 32.654 31.823 0.010 0.000 0.998 78 V HN 1.211 nan 8.190 nan 0.000 0.423 79 C N 3.316 122.697 119.300 0.135 0.000 3.154 79 C HA 1.035 5.494 4.460 -0.001 0.000 0.312 79 C C -0.822 174.262 174.990 0.156 0.000 1.349 79 C CA -1.054 58.035 59.018 0.118 0.000 1.518 79 C CB 1.359 29.130 27.740 0.052 0.000 1.934 79 C HN 0.996 nan 8.230 nan 0.000 0.462 80 F N -0.790 119.214 119.950 0.090 0.000 2.686 80 F HA 0.919 5.445 4.527 -0.002 0.000 0.311 80 F C -0.295 175.543 175.800 0.062 0.000 1.128 80 F CA -0.295 57.726 58.000 0.036 0.000 0.946 80 F CB 1.367 40.369 39.000 0.003 0.000 1.336 80 F HN 1.111 nan 8.300 nan 0.000 0.457 81 G N 0.332 109.322 108.800 0.317 0.000 2.659 81 G HA2 0.538 4.497 3.960 -0.001 0.000 0.296 81 G HA3 0.538 4.497 3.960 -0.001 0.000 0.296 81 G C -1.342 173.698 174.900 0.233 0.000 1.369 81 G CA -0.579 44.660 45.100 0.232 0.000 0.937 81 G HN 1.080 nan 8.290 nan 0.000 0.485 82 S N 0.201 116.014 115.700 0.188 0.000 2.608 82 S HA 0.654 5.123 4.470 -0.001 0.000 0.261 82 S C 0.968 175.625 174.600 0.096 0.000 1.314 82 S CA 0.225 58.496 58.200 0.118 0.000 0.992 82 S CB 1.026 64.286 63.200 0.100 0.000 0.935 82 S HN 1.897 nan 8.310 nan 0.000 0.564 83 A N 1.025 123.897 122.820 0.087 0.000 2.507 83 A HA 0.523 4.842 4.320 -0.001 0.000 0.235 83 A C 1.569 179.213 177.584 0.099 0.000 1.070 83 A CA 0.270 52.372 52.037 0.108 0.000 0.768 83 A CB -1.501 17.593 19.000 0.157 0.000 1.011 83 A HN 2.452 nan 8.150 nan 0.000 0.502 84 G N 1.978 110.839 108.800 0.100 0.000 2.620 84 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.315 84 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.315 84 G C -0.682 174.238 174.900 0.034 0.000 1.179 84 G CA 0.596 45.733 45.100 0.061 0.000 0.971 84 G HN 0.790 nan 8.290 nan 0.000 0.544 85 P HA 0.037 nan 4.420 nan 0.000 0.220 85 P C 1.890 179.095 177.300 -0.158 0.000 1.148 85 P CA 2.443 65.463 63.100 -0.134 0.000 0.803 85 P CB -0.643 30.960 31.700 -0.162 0.000 0.782 86 G N 0.366 109.153 108.800 -0.021 0.000 2.404 86 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.214 86 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.214 86 G C 1.864 176.836 174.900 0.121 0.000 1.189 86 G CA 0.800 45.930 45.100 0.051 0.000 0.789 86 G HN 0.335 nan 8.290 nan 0.000 0.533 87 G N 0.728 109.620 108.800 0.154 0.000 2.440 87 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.218 87 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.218 87 G C 2.000 177.083 174.900 0.305 0.000 1.154 87 G CA 2.297 47.552 45.100 0.259 0.000 0.767 87 G HN 0.581 nan 8.290 nan 0.000 0.552 88 T N -2.339 112.321 114.554 0.176 0.000 2.915 88 T HA -0.068 4.281 4.350 -0.001 0.000 0.269 88 T C 1.907 176.725 174.700 0.196 0.000 1.071 88 T CA 1.364 63.528 62.100 0.108 0.000 1.132 88 T CB -0.628 68.245 68.868 0.009 0.000 0.878 88 T HN 0.553 nan 8.240 nan 0.000 0.479 89 H N 0.637 119.771 119.070 0.107 0.000 2.518 89 H HA 0.134 4.690 4.556 -0.001 0.000 0.289 89 H C 1.823 177.253 175.328 0.171 0.000 1.051 89 H CA 0.629 56.761 56.048 0.140 0.000 1.280 89 H CB -0.191 29.593 29.762 0.037 0.000 1.380 89 H HN 0.319 nan 8.280 nan 0.000 0.566 90 L N -0.181 121.203 121.223 0.268 0.000 2.376 90 L HA -0.161 4.178 4.340 -0.001 0.000 0.219 90 L C 2.132 179.105 176.870 0.171 0.000 1.133 90 L CA 0.013 54.965 54.840 0.188 0.000 0.816 90 L CB -0.155 42.008 42.059 0.173 0.000 0.933 90 L HN 0.364 nan 8.230 nan 0.000 0.449 91 M N -0.019 119.706 119.600 0.209 0.000 2.106 91 M HA -0.226 4.253 4.480 -0.001 0.000 0.259 91 M C 1.874 178.339 176.300 0.275 0.000 1.068 91 M CA 1.757 57.200 55.300 0.239 0.000 1.100 91 M CB -1.322 31.427 32.600 0.248 0.000 1.351 91 M HN 0.261 nan 8.290 nan 0.000 0.404 92 N N 0.039 118.886 118.700 0.244 0.000 2.309 92 N HA -0.064 4.675 4.740 -0.001 0.000 0.182 92 N C 1.734 177.384 175.510 0.235 0.000 1.018 92 N CA 1.459 54.704 53.050 0.325 0.000 0.876 92 N CB -0.518 38.107 38.487 0.230 0.000 0.972 92 N HN 0.491 nan 8.380 nan 0.000 0.434 93 G N 0.035 108.905 108.800 0.117 0.000 2.426 93 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.214 93 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.214 93 G C 1.419 176.310 174.900 -0.015 0.000 1.156 93 G CA 0.097 45.223 45.100 0.043 0.000 0.802 93 G HN 0.178 nan 8.290 nan 0.000 0.534 94 L N -0.858 120.345 121.223 -0.034 0.000 2.056 94 L HA -0.062 4.277 4.340 -0.001 0.000 0.207 94 L C 2.631 179.311 176.870 -0.317 0.000 1.078 94 L CA 0.992 55.741 54.840 -0.152 0.000 0.749 94 L CB -0.535 41.437 42.059 -0.145 0.000 0.901 94 L HN 0.143 nan 8.230 nan 0.000 0.433 95 Y N 0.266 120.350 120.300 -0.359 0.000 2.224 95 Y HA -0.282 4.267 4.550 -0.002 0.000 0.289 95 Y C 2.420 177.895 175.900 -0.709 0.000 1.146 95 Y CA 1.762 59.406 58.100 -0.759 0.000 1.182 95 Y CB -0.385 37.185 38.460 -1.483 0.000 0.983 95 Y HN 0.261 nan 8.280 nan 0.000 0.524 96 D N -0.429 119.839 120.400 -0.219 0.000 2.117 96 D HA -0.189 4.450 4.640 -0.001 0.000 0.197 96 D C 2.202 178.465 176.300 -0.062 0.000 0.987 96 D CA 1.403 55.413 54.000 0.017 0.000 0.829 96 D CB -0.193 40.681 40.800 0.123 0.000 0.961 96 D HN 0.246 nan 8.370 nan 0.000 0.460 97 A N 0.248 123.006 122.820 -0.103 0.000 1.898 97 A HA -0.128 4.192 4.320 -0.001 0.000 0.216 97 A C 2.271 179.759 177.584 -0.159 0.000 1.181 97 A CA 1.519 53.494 52.037 -0.103 0.000 0.620 97 A CB -0.646 18.293 19.000 -0.103 0.000 0.819 97 A HN 0.227 nan 8.150 nan 0.000 0.442 98 R N -0.418 119.944 120.500 -0.230 0.000 2.080 98 R HA -0.166 4.173 4.340 -0.001 0.000 0.236 98 R C 1.866 177.945 176.300 -0.368 0.000 1.137 98 R CA 1.833 57.771 56.100 -0.269 0.000 0.943 98 R CB -0.180 29.928 30.300 -0.319 0.000 0.846 98 R HN 0.458 nan 8.270 nan 0.000 0.431 99 E N 0.257 120.279 120.200 -0.297 0.000 2.158 99 E HA -0.104 4.245 4.350 -0.001 0.000 0.191 99 E C 1.219 177.624 176.600 -0.326 0.000 0.982 99 E CA 0.843 57.071 56.400 -0.286 0.000 0.823 99 E CB -0.066 29.608 29.700 -0.043 0.000 0.766 99 E HN 0.371 nan 8.360 nan 0.000 0.468 100 D N -0.107 120.190 120.400 -0.170 0.000 2.349 100 D HA -0.009 4.630 4.640 -0.001 0.000 0.224 100 D C -0.546 175.771 176.300 0.028 0.000 1.029 100 D CA 0.203 54.187 54.000 -0.026 0.000 0.879 100 D CB -0.258 40.562 40.800 0.034 0.000 0.906 100 D HN 0.246 nan 8.370 nan 0.000 0.528 101 H N -1.676 117.407 119.070 0.022 0.000 2.847 101 H HA -0.112 4.443 4.556 -0.001 0.000 0.336 101 H C -0.541 174.801 175.328 0.025 0.000 1.221 101 H CA 0.375 56.437 56.048 0.023 0.000 1.162 101 H CB -1.832 27.951 29.762 0.036 0.000 1.566 101 H HN 0.010 nan 8.280 nan 0.000 0.430 102 V N -1.660 118.284 119.914 0.050 0.000 2.925 102 V HA 0.776 4.896 4.120 -0.001 0.000 0.311 102 V C -2.566 173.517 176.094 -0.020 0.000 1.104 102 V CA -2.490 59.834 62.300 0.040 0.000 0.954 102 V CB 3.094 34.939 31.823 0.038 0.000 1.022 102 V HN 0.090 nan 8.190 nan 0.000 0.427 103 P HA 0.433 nan 4.420 nan 0.000 0.282 103 P C -0.863 176.315 177.300 -0.203 0.000 1.262 103 P CA -0.064 62.925 63.100 -0.185 0.000 0.773 103 P CB 1.593 33.054 31.700 -0.398 0.000 0.879 104 V N 4.856 124.660 119.914 -0.183 0.000 2.841 104 V HA 0.336 4.455 4.120 -0.001 0.000 0.310 104 V C -0.146 175.848 176.094 -0.166 0.000 1.090 104 V CA -0.873 61.335 62.300 -0.153 0.000 0.930 104 V CB 2.345 34.109 31.823 -0.098 0.000 1.014 104 V HN 0.411 nan 8.190 nan 0.000 0.425 105 L N 4.045 125.174 121.223 -0.156 0.000 2.317 105 L HA 0.955 5.294 4.340 -0.001 0.000 0.281 105 L C -0.016 176.811 176.870 -0.072 0.000 1.024 105 L CA -0.003 54.755 54.840 -0.136 0.000 0.810 105 L CB 1.465 43.420 42.059 -0.172 0.000 1.240 105 L HN 0.815 nan 8.230 nan 0.000 0.427 106 A N 6.162 128.940 122.820 -0.070 0.000 2.343 106 A HA 0.737 5.056 4.320 -0.001 0.000 0.308 106 A C -1.399 176.146 177.584 -0.064 0.000 1.092 106 A CA -0.544 51.465 52.037 -0.047 0.000 0.751 106 A CB 0.812 19.767 19.000 -0.075 0.000 1.203 106 A HN 0.696 nan 8.150 nan 0.000 0.452 107 L N 3.626 124.855 121.223 0.010 0.000 2.307 107 L HA 0.568 4.907 4.340 -0.001 0.000 0.284 107 L C -0.760 176.102 176.870 -0.013 0.000 1.023 107 L CA -0.706 54.118 54.840 -0.026 0.000 0.810 107 L CB 1.454 43.498 42.059 -0.025 0.000 1.231 107 L HN 0.481 nan 8.230 nan 0.000 0.423 108 I N 2.044 122.552 120.570 -0.103 0.000 2.433 108 I HA 0.388 4.557 4.170 -0.001 0.000 0.292 108 I C 0.755 176.835 176.117 -0.061 0.000 1.001 108 I CA -0.311 60.936 61.300 -0.088 0.000 1.119 108 I CB 1.439 39.302 38.000 -0.229 0.000 1.289 108 I HN 0.596 nan 8.210 nan 0.000 0.438 109 G N 4.349 113.138 108.800 -0.019 0.000 2.594 109 G HA2 0.362 4.321 3.960 -0.001 0.000 0.243 109 G HA3 0.362 4.321 3.960 -0.001 0.000 0.243 109 G C -0.573 174.332 174.900 0.009 0.000 1.229 109 G CA -0.098 44.981 45.100 -0.035 0.000 0.843 109 G HN 0.688 nan 8.290 nan 0.000 0.578 110 Q N -0.409 119.399 119.800 0.012 0.000 2.386 110 Q HA 0.335 4.674 4.340 -0.001 0.000 0.274 110 Q C -1.010 175.063 176.000 0.122 0.000 1.011 110 Q CA -0.855 55.001 55.803 0.089 0.000 0.867 110 Q CB 1.670 30.440 28.738 0.054 0.000 1.409 110 Q HN 0.473 nan 8.270 nan 0.000 0.395 111 F N 0.903 120.844 119.950 -0.014 0.000 2.646 111 F HA 0.109 4.636 4.527 0.000 0.000 0.363 111 F C 1.454 177.251 175.800 -0.005 0.000 1.143 111 F CA 1.549 59.547 58.000 -0.004 0.000 1.356 111 F CB 0.568 39.571 39.000 0.004 0.000 1.055 111 F HN 0.639 nan 8.300 nan 0.000 0.606 112 G N 1.625 110.487 108.800 0.103 0.000 2.491 112 G HA2 0.253 4.212 3.960 -0.001 0.000 0.242 112 G HA3 0.253 4.212 3.960 -0.001 0.000 0.242 112 G C 0.897 175.858 174.900 0.102 0.000 1.266 112 G CA -0.029 45.114 45.100 0.071 0.000 0.844 112 G HN 0.826 nan 8.290 nan 0.000 0.571 113 T N -1.089 113.504 114.554 0.066 0.000 2.684 113 T HA -0.265 4.085 4.350 -0.001 0.000 0.267 113 T C 2.448 177.185 174.700 0.061 0.000 1.036 113 T CA 2.513 64.647 62.100 0.057 0.000 1.148 113 T CB -0.880 68.010 68.868 0.037 0.000 0.863 113 T HN 0.714 nan 8.240 nan 0.000 0.436 114 T N 0.224 114.813 114.554 0.058 0.000 2.809 114 T HA 0.272 4.621 4.350 -0.001 0.000 0.260 114 T C 1.657 176.399 174.700 0.071 0.000 1.039 114 T CA 0.496 62.629 62.100 0.055 0.000 1.141 114 T CB -1.325 67.569 68.868 0.044 0.000 0.869 114 T HN 0.644 nan 8.240 nan 0.000 0.437 124 M N 1.519 121.024 119.600 -0.158 0.000 2.248 124 M HA 0.076 4.555 4.480 -0.001 0.000 0.345 124 M C 0.362 176.636 176.300 -0.043 0.000 1.243 124 M CA 0.172 55.426 55.300 -0.077 0.000 1.090 124 M CB 0.337 32.909 32.600 -0.046 0.000 1.683 124 M HN 0.037 nan 8.290 nan 0.000 0.450 125 N N 3.631 122.314 118.700 -0.029 0.000 2.405 125 N HA 0.031 4.770 4.740 -0.001 0.000 0.260 125 N C 0.032 175.553 175.510 0.019 0.000 1.152 125 N CA 0.410 53.456 53.050 -0.007 0.000 0.948 125 N CB 0.546 39.026 38.487 -0.012 0.000 1.111 125 N HN 0.675 nan 8.380 nan 0.000 0.485 126 E N 2.100 122.331 120.200 0.052 0.000 2.340 126 E HA -0.061 4.288 4.350 -0.001 0.000 0.194 126 E C 1.077 177.781 176.600 0.173 0.000 0.996 126 E CA -0.040 56.433 56.400 0.122 0.000 0.869 126 E CB 0.115 29.917 29.700 0.171 0.000 0.835 126 E HN 0.621 nan 8.360 nan 0.000 0.493 127 N N 1.437 120.201 118.700 0.106 0.000 2.094 127 N HA -0.118 4.622 4.740 -0.001 0.000 0.191 127 N C -1.006 174.558 175.510 0.089 0.000 1.023 127 N CA 1.226 54.339 53.050 0.104 0.000 0.857 127 N CB -0.456 38.049 38.487 0.029 0.000 1.013 127 N HN 0.095 nan 8.380 nan 0.000 0.426 128 P HA -0.001 nan 4.420 nan 0.000 0.223 128 P C 1.428 178.698 177.300 -0.050 0.000 1.151 128 P CA 0.672 63.768 63.100 -0.006 0.000 0.787 128 P CB -0.042 31.648 31.700 -0.017 0.000 0.788 129 I N -2.192 118.319 120.570 -0.099 0.000 2.286 129 I HA -0.239 3.930 4.170 -0.001 0.000 0.248 129 I C 1.452 177.263 176.117 -0.510 0.000 1.115 129 I CA 1.631 62.722 61.300 -0.349 0.000 1.392 129 I CB -0.595 37.080 38.000 -0.541 0.000 1.065 129 I HN -0.024 nan 8.210 nan 0.000 0.418 130 Y N 0.004 120.289 120.300 -0.025 0.000 2.457 130 Y HA 0.342 4.891 4.550 -0.001 0.000 0.263 130 Y C 2.244 178.100 175.900 -0.072 0.000 1.164 130 Y CA 0.218 58.286 58.100 -0.053 0.000 1.274 130 Y CB -0.374 38.049 38.460 -0.062 0.000 1.097 130 Y HN 0.015 nan 8.280 nan 0.000 0.523 131 A N 0.340 123.169 122.820 0.015 0.000 1.902 131 A HA -0.259 4.060 4.320 -0.001 0.000 0.217 131 A C 1.835 179.404 177.584 -0.025 0.000 1.181 131 A CA 2.335 54.368 52.037 -0.006 0.000 0.623 131 A CB -0.613 18.379 19.000 -0.013 0.000 0.818 131 A HN 0.443 nan 8.150 nan 0.000 0.443 132 D N -1.210 119.180 120.400 -0.018 0.000 2.123 132 D HA -0.087 4.552 4.640 -0.001 0.000 0.200 132 D C 1.710 177.963 176.300 -0.079 0.000 0.976 132 D CA 1.227 55.225 54.000 -0.004 0.000 0.831 132 D CB -0.045 40.800 40.800 0.073 0.000 0.974 132 D HN 0.093 nan 8.370 nan 0.000 0.469 133 V N -0.220 119.575 119.914 -0.198 0.000 2.667 133 V HA 0.205 4.324 4.120 -0.001 0.000 0.252 133 V C 0.763 176.680 176.094 -0.295 0.000 1.065 133 V CA 1.072 63.066 62.300 -0.511 0.000 1.083 133 V CB -0.329 30.946 31.823 -0.913 0.000 0.692 133 V HN 0.320 nan 8.190 nan 0.000 0.468 134 A N -0.401 122.327 122.820 -0.153 0.000 2.301 134 A HA 0.395 4.714 4.320 -0.001 0.000 0.312 134 A C 0.684 178.206 177.584 -0.104 0.000 1.182 134 A CA -0.292 51.682 52.037 -0.104 0.000 0.826 134 A CB 0.498 19.475 19.000 -0.038 0.000 1.134 134 A HN 0.383 nan 8.150 nan 0.000 0.501 135 D N -0.231 120.099 120.400 -0.117 0.000 2.317 135 D HA -0.003 4.636 4.640 -0.001 0.000 0.211 135 D C -0.727 175.545 176.300 -0.047 0.000 0.966 135 D CA 1.850 55.733 54.000 -0.194 0.000 0.876 135 D CB 0.148 40.741 40.800 -0.345 0.000 0.927 135 D HN 0.549 nan 8.370 nan 0.000 0.519 136 Y N 0.471 120.701 120.300 -0.117 0.000 2.401 136 Y HA 0.334 4.884 4.550 -0.001 0.000 0.330 136 Y C -1.500 174.360 175.900 -0.067 0.000 1.071 136 Y CA -1.146 56.912 58.100 -0.069 0.000 1.049 136 Y CB 1.373 39.807 38.460 -0.045 0.000 1.239 136 Y HN -0.328 nan 8.280 nan 0.000 0.437 137 N N 5.046 123.535 118.700 -0.352 0.000 2.621 137 N HA 0.489 5.228 4.740 -0.001 0.000 0.271 137 N C -2.293 173.033 175.510 -0.307 0.000 1.181 137 N CA -0.348 52.567 53.050 -0.224 0.000 0.805 137 N CB 1.260 39.696 38.487 -0.086 0.000 1.351 137 N HN 0.553 nan 8.380 nan 0.000 0.539 138 V N 0.107 119.835 119.914 -0.310 0.000 2.841 138 V HA 0.728 4.847 4.120 -0.001 0.000 0.310 138 V C -0.230 175.786 176.094 -0.129 0.000 1.090 138 V CA -0.614 61.533 62.300 -0.256 0.000 0.930 138 V CB 1.593 33.199 31.823 -0.362 0.000 1.014 138 V HN 0.381 nan 8.190 nan 0.000 0.425 139 T N 4.037 118.539 114.554 -0.087 0.000 2.771 139 T HA 0.701 5.050 4.350 -0.001 0.000 0.291 139 T C 0.413 175.093 174.700 -0.034 0.000 0.954 139 T CA 0.424 62.493 62.100 -0.051 0.000 1.045 139 T CB 1.169 70.017 68.868 -0.032 0.000 0.917 139 T HN 1.435 nan 8.240 nan 0.000 0.484 140 A N 2.580 125.384 122.820 -0.026 0.000 2.440 140 A HA 0.422 4.741 4.320 -0.001 0.000 0.251 140 A C 1.305 178.885 177.584 -0.006 0.000 1.089 140 A CA -0.567 51.466 52.037 -0.008 0.000 0.779 140 A CB 0.079 19.069 19.000 -0.016 0.000 1.022 140 A HN 0.931 nan 8.150 nan 0.000 0.492 141 V N 0.035 119.951 119.914 0.003 0.000 3.605 141 V HA 0.322 4.441 4.120 -0.001 0.000 0.284 141 V C 0.359 176.458 176.094 0.008 0.000 1.386 141 V CA 0.445 62.748 62.300 0.004 0.000 1.053 141 V CB -0.872 30.954 31.823 0.005 0.000 0.857 141 V HN 0.839 nan 8.190 nan 0.000 0.436 142 N N -0.120 118.585 118.700 0.008 0.000 2.406 142 N HA 0.468 5.208 4.740 -0.001 0.000 0.283 142 N C 0.717 176.233 175.510 0.010 0.000 1.074 142 N CA 0.424 53.480 53.050 0.011 0.000 0.916 142 N CB 2.450 40.944 38.487 0.013 0.000 1.639 142 N HN 0.064 nan 8.380 nan 0.000 0.485 143 A N 3.146 125.971 122.820 0.010 0.000 1.902 143 A HA -0.052 4.268 4.320 -0.001 0.000 0.217 143 A C 2.035 179.626 177.584 0.012 0.000 1.181 143 A CA 2.171 54.211 52.037 0.004 0.000 0.623 143 A CB -0.690 18.318 19.000 0.013 0.000 0.818 143 A HN 0.773 nan 8.150 nan 0.000 0.443 144 A N -0.469 122.366 122.820 0.025 0.000 1.969 144 A HA -0.047 4.272 4.320 -0.001 0.000 0.218 144 A C 2.271 179.888 177.584 0.054 0.000 1.169 144 A CA 2.230 54.292 52.037 0.042 0.000 0.635 144 A CB -1.086 17.938 19.000 0.040 0.000 0.810 144 A HN 0.758 nan 8.150 nan 0.000 0.445 145 T N -2.583 111.997 114.554 0.044 0.000 3.100 145 T HA 0.108 4.457 4.350 -0.001 0.000 0.253 145 T C 1.564 176.330 174.700 0.110 0.000 1.118 145 T CA 0.713 62.855 62.100 0.071 0.000 1.058 145 T CB -0.201 68.685 68.868 0.029 0.000 0.953 145 T HN 0.154 nan 8.240 nan 0.000 0.515 146 L N 2.771 124.024 121.223 0.049 0.000 1.990 146 L HA 0.067 4.406 4.340 -0.001 0.000 0.213 146 L C -0.930 175.940 176.870 0.000 0.000 1.072 146 L CA 2.033 56.881 54.840 0.014 0.000 0.755 146 L CB -1.367 40.670 42.059 -0.037 0.000 0.889 146 L HN 0.110 nan 8.230 nan 0.000 0.432 147 P HA -0.203 nan 4.420 nan 0.000 0.218 147 P C 1.509 178.840 177.300 0.052 0.000 1.148 147 P CA 1.672 64.721 63.100 -0.085 0.000 0.822 147 P CB -0.399 31.167 31.700 -0.223 0.000 0.784 148 H N -0.111 118.990 119.070 0.051 0.000 2.357 148 H HA -0.054 4.502 4.556 -0.001 0.000 0.301 148 H C 1.644 177.013 175.328 0.068 0.000 1.082 148 H CA 1.305 57.406 56.048 0.088 0.000 1.342 148 H CB -0.449 29.369 29.762 0.094 0.000 1.389 148 H HN -0.113 nan 8.280 nan 0.000 0.511 149 V N 1.792 121.788 119.914 0.137 0.000 2.295 149 V HA -0.247 3.873 4.120 -0.001 0.000 0.246 149 V C 2.893 178.988 176.094 0.002 0.000 1.049 149 V CA 1.440 63.806 62.300 0.111 0.000 1.024 149 V CB -0.486 31.425 31.823 0.146 0.000 0.648 149 V HN 0.363 nan 8.190 nan 0.000 0.447 150 I N 0.511 121.062 120.570 -0.032 0.000 2.226 150 I HA -0.235 3.934 4.170 -0.001 0.000 0.245 150 I C 2.362 178.395 176.117 -0.140 0.000 1.100 150 I CA 2.216 63.465 61.300 -0.085 0.000 1.374 150 I CB -1.275 36.669 38.000 -0.094 0.000 1.057 150 I HN 0.442 nan 8.210 nan 0.000 0.413 151 D N 0.693 121.044 120.400 -0.081 0.000 2.144 151 D HA -0.252 4.388 4.640 -0.001 0.000 0.199 151 D C 2.104 178.303 176.300 -0.167 0.000 0.984 151 D CA 1.183 55.178 54.000 -0.009 0.000 0.834 151 D CB 0.193 41.080 40.800 0.146 0.000 0.955 151 D HN 0.173 nan 8.370 nan 0.000 0.465 152 E N -0.083 119.937 120.200 -0.300 0.000 2.106 152 E HA -0.040 4.309 4.350 -0.001 0.000 0.192 152 E C 1.877 178.089 176.600 -0.646 0.000 0.984 152 E CA 1.256 57.406 56.400 -0.418 0.000 0.806 152 E CB -0.525 28.916 29.700 -0.431 0.000 0.750 152 E HN 0.304 nan 8.360 nan 0.000 0.458 153 A N 0.448 122.884 122.820 -0.640 0.000 1.908 153 A HA -0.174 4.145 4.320 -0.001 0.000 0.218 153 A C 2.317 179.617 177.584 -0.473 0.000 1.181 153 A CA 1.635 53.304 52.037 -0.614 0.000 0.627 153 A CB -0.723 18.167 19.000 -0.184 0.000 0.818 153 A HN 0.356 nan 8.150 nan 0.000 0.445 154 I N -1.275 118.999 120.570 -0.493 0.000 2.315 154 I HA -0.216 3.953 4.170 -0.001 0.000 0.248 154 I C 2.778 178.556 176.117 -0.566 0.000 1.117 154 I CA 1.136 62.039 61.300 -0.663 0.000 1.404 154 I CB -0.265 37.086 38.000 -1.082 0.000 1.071 154 I HN 0.261 nan 8.210 nan 0.000 0.419 155 R N 0.075 120.323 120.500 -0.420 0.000 2.092 155 R HA -0.104 4.235 4.340 -0.001 0.000 0.231 155 R C 2.420 178.633 176.300 -0.144 0.000 1.119 155 R CA 0.997 56.991 56.100 -0.176 0.000 0.970 155 R CB -0.143 30.124 30.300 -0.055 0.000 0.864 155 R HN 0.120 nan 8.270 nan 0.000 0.440 156 R N 0.518 120.873 120.500 -0.241 0.000 2.075 156 R HA 0.027 4.366 4.340 -0.001 0.000 0.232 156 R C 2.057 178.356 176.300 -0.002 0.000 1.126 156 R CA 1.485 57.517 56.100 -0.114 0.000 0.963 156 R CB -0.865 29.310 30.300 -0.209 0.000 0.858 156 R HN 0.226 nan 8.270 nan 0.000 0.435 157 A N -0.440 122.294 122.820 -0.144 0.000 1.883 157 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 157 A C 1.948 179.455 177.584 -0.128 0.000 1.186 157 A CA 1.568 53.510 52.037 -0.158 0.000 0.624 157 A CB -0.846 17.959 19.000 -0.325 0.000 0.822 157 A HN 0.337 nan 8.150 nan 0.000 0.444 158 Y N -0.218 120.003 120.300 -0.132 0.000 2.181 158 Y HA -0.062 4.487 4.550 -0.001 0.000 0.288 158 Y C 2.960 178.816 175.900 -0.074 0.000 1.146 158 Y CA 0.659 58.704 58.100 -0.091 0.000 1.164 158 Y CB -0.791 37.609 38.460 -0.100 0.000 0.982 158 Y HN 0.333 nan 8.280 nan 0.000 0.515 159 A N -0.628 122.210 122.820 0.031 0.000 1.902 159 A HA -0.221 4.098 4.320 -0.001 0.000 0.217 159 A C 1.502 178.981 177.584 -0.176 0.000 1.181 159 A CA 2.058 54.022 52.037 -0.122 0.000 0.623 159 A CB -0.998 17.840 19.000 -0.270 0.000 0.818 159 A HN 0.627 nan 8.150 nan 0.000 0.443 160 H N -0.974 118.115 119.070 0.031 0.000 2.539 160 H HA 0.163 4.718 4.556 -0.001 0.000 0.269 160 H C -0.167 175.194 175.328 0.056 0.000 0.980 160 H CA 0.149 56.219 56.048 0.037 0.000 1.152 160 H CB 0.276 30.052 29.762 0.024 0.000 1.407 160 H HN 0.326 nan 8.280 nan 0.000 0.564 161 Q N 0.480 120.368 119.800 0.146 0.000 2.431 161 Q HA -0.163 4.176 4.340 -0.001 0.000 0.344 161 Q C 0.360 176.426 176.000 0.110 0.000 1.384 161 Q CA 1.138 57.019 55.803 0.129 0.000 0.984 161 Q CB -1.476 27.354 28.738 0.153 0.000 1.204 161 Q HN 0.794 nan 8.270 nan 0.000 0.392 162 G N -2.153 106.675 108.800 0.046 0.000 2.753 162 G HA2 0.564 4.523 3.960 -0.001 0.000 0.303 162 G HA3 0.564 4.523 3.960 -0.001 0.000 0.303 162 G C -1.104 173.754 174.900 -0.071 0.000 1.242 162 G CA -0.273 44.817 45.100 -0.016 0.000 0.810 162 G HN 0.091 nan 8.290 nan 0.000 0.515 163 V N 0.795 120.650 119.914 -0.097 0.000 2.481 163 V HA 0.680 4.799 4.120 -0.001 0.000 0.286 163 V C 0.471 176.522 176.094 -0.071 0.000 1.042 163 V CA -0.082 62.152 62.300 -0.110 0.000 0.928 163 V CB 0.948 32.683 31.823 -0.147 0.000 0.986 163 V HN 1.178 nan 8.190 nan 0.000 0.462 164 A N 4.688 127.468 122.820 -0.068 0.000 2.342 164 A HA 0.875 5.194 4.320 -0.001 0.000 0.323 164 A C -0.979 176.595 177.584 -0.018 0.000 1.125 164 A CA -0.542 51.501 52.037 0.010 0.000 0.785 164 A CB 1.715 20.701 19.000 -0.024 0.000 1.221 164 A HN 0.632 nan 8.150 nan 0.000 0.463 165 V N 2.457 122.372 119.914 0.002 0.000 2.588 165 V HA 0.530 4.649 4.120 -0.001 0.000 0.304 165 V C -0.698 175.344 176.094 -0.086 0.000 1.042 165 V CA -0.476 61.758 62.300 -0.111 0.000 0.877 165 V CB 1.819 33.522 31.823 -0.200 0.000 0.996 165 V HN 0.685 nan 8.190 nan 0.000 0.425 166 V N 4.603 124.451 119.914 -0.110 0.000 2.444 166 V HA 0.439 4.558 4.120 -0.001 0.000 0.294 166 V C -0.449 175.566 176.094 -0.132 0.000 1.022 166 V CA -0.787 61.461 62.300 -0.086 0.000 0.850 166 V CB 1.729 33.534 31.823 -0.030 0.000 0.992 166 V HN 0.940 nan 8.190 nan 0.000 0.426 167 Q N 4.277 124.002 119.800 -0.125 0.000 2.267 167 Q HA 0.626 4.965 4.340 -0.001 0.000 0.255 167 Q C -0.698 175.255 176.000 -0.078 0.000 0.923 167 Q CA 0.180 55.919 55.803 -0.108 0.000 0.925 167 Q CB 1.785 30.478 28.738 -0.075 0.000 1.195 167 Q HN 0.679 nan 8.270 nan 0.000 0.417 168 I N 4.423 124.943 120.570 -0.083 0.000 2.437 168 I HA 0.314 4.483 4.170 -0.001 0.000 0.279 168 I C -2.342 173.724 176.117 -0.085 0.000 1.028 168 I CA -2.499 58.745 61.300 -0.093 0.000 1.142 168 I CB 1.646 39.564 38.000 -0.137 0.000 1.266 168 I HN 0.330 nan 8.210 nan 0.000 0.461 169 P HA -0.040 nan 4.420 nan 0.000 0.264 169 P C 0.855 178.106 177.300 -0.083 0.000 1.193 169 P CA 0.150 63.231 63.100 -0.031 0.000 0.763 169 P CB 1.167 32.866 31.700 -0.003 0.000 0.810 170 V N 3.433 123.288 119.914 -0.100 0.000 2.970 170 V HA -0.168 3.951 4.120 -0.001 0.000 0.260 170 V C 1.497 177.478 176.094 -0.189 0.000 1.100 170 V CA 2.172 64.348 62.300 -0.207 0.000 1.122 170 V CB -0.844 30.857 31.823 -0.204 0.000 0.721 170 V HN 0.606 nan 8.190 nan 0.000 0.483 171 D N -0.406 119.971 120.400 -0.038 0.000 2.183 171 D HA -0.175 4.464 4.640 -0.001 0.000 0.203 171 D C 1.971 178.297 176.300 0.043 0.000 0.969 171 D CA 1.145 55.188 54.000 0.072 0.000 0.842 171 D CB -0.407 40.444 40.800 0.085 0.000 0.957 171 D HN 0.499 nan 8.370 nan 0.000 0.484 172 L N 0.377 121.581 121.223 -0.031 0.000 2.027 172 L HA -0.036 4.303 4.340 -0.001 0.000 0.206 172 L C -0.299 176.536 176.870 -0.058 0.000 1.074 172 L CA 1.044 55.867 54.840 -0.029 0.000 0.745 172 L CB -1.869 40.165 42.059 -0.042 0.000 0.898 172 L HN 0.030 nan 8.230 nan 0.000 0.433 173 P HA -0.189 nan 4.420 nan 0.000 0.222 173 P C 0.859 178.091 177.300 -0.114 0.000 1.142 173 P CA 1.222 64.189 63.100 -0.221 0.000 0.788 173 P CB -0.069 31.386 31.700 -0.409 0.000 0.767 174 W N 0.016 121.281 121.300 -0.059 0.000 3.388 174 W HA 0.227 4.886 4.660 -0.002 0.000 0.324 174 W C 0.188 176.686 176.519 -0.035 0.000 1.250 174 W CA 0.136 57.452 57.345 -0.050 0.000 1.809 174 W CB -0.649 28.780 29.460 -0.051 0.000 1.083 174 W HN 0.133 nan 8.180 nan 0.000 0.685 175 Q N 0.757 120.647 119.800 0.151 0.000 2.316 175 Q HA 0.213 4.552 4.340 -0.001 0.000 0.264 175 Q C 0.081 176.121 176.000 0.066 0.000 0.987 175 Q CA -0.545 55.314 55.803 0.093 0.000 0.852 175 Q CB 2.012 30.788 28.738 0.065 0.000 1.287 175 Q HN 0.169 nan 8.270 nan 0.000 0.448 176 Q N 2.585 122.421 119.800 0.059 0.000 2.332 176 Q HA 0.490 4.830 4.340 -0.001 0.000 0.263 176 Q C -0.456 175.574 176.000 0.050 0.000 0.979 176 Q CA -0.116 55.719 55.803 0.053 0.000 0.885 176 Q CB 0.503 29.268 28.738 0.046 0.000 1.218 176 Q HN 0.621 nan 8.270 nan 0.000 0.405 177 I N -2.416 118.190 120.570 0.060 0.000 2.969 177 I HA 0.613 4.783 4.170 -0.001 0.000 0.307 177 I C -2.753 173.419 176.117 0.093 0.000 1.149 177 I CA -3.676 57.665 61.300 0.069 0.000 1.008 177 I CB 2.256 40.296 38.000 0.067 0.000 1.232 177 I HN 0.391 nan 8.210 nan 0.000 0.435 178 P HA 0.077 nan 4.420 nan 0.000 0.263 178 P C 0.384 177.783 177.300 0.165 0.000 1.195 178 P CA 0.157 63.316 63.100 0.098 0.000 0.762 178 P CB 1.103 32.849 31.700 0.076 0.000 0.799 179 A N 4.775 127.687 122.820 0.153 0.000 2.015 179 A HA -0.150 4.169 4.320 -0.001 0.000 0.219 179 A C 1.441 179.027 177.584 0.004 0.000 1.163 179 A CA 1.218 53.379 52.037 0.205 0.000 0.646 179 A CB -0.566 18.517 19.000 0.139 0.000 0.806 179 A HN 0.590 nan 8.150 nan 0.000 0.448 180 E N -0.362 119.829 120.200 -0.014 0.000 2.465 180 E HA 0.043 4.392 4.350 -0.001 0.000 0.195 180 E C -0.602 175.965 176.600 -0.055 0.000 1.028 180 E CA 0.192 56.536 56.400 -0.093 0.000 0.899 180 E CB -0.117 29.545 29.700 -0.063 0.000 1.032 180 E HN 0.462 nan 8.360 nan 0.000 0.468 181 D N 0.363 120.776 120.400 0.022 0.000 2.433 181 D HA 0.061 4.701 4.640 -0.001 0.000 0.211 181 D C 0.416 176.808 176.300 0.152 0.000 1.114 181 D CA -0.062 53.977 54.000 0.065 0.000 0.837 181 D CB 0.194 41.041 40.800 0.078 0.000 0.984 181 D HN 0.381 nan 8.370 nan 0.000 0.505 193 L N 1.124 122.343 121.223 -0.006 0.000 2.325 193 L HA 0.342 4.681 4.340 -0.001 0.000 0.284 193 L C -0.088 176.782 176.870 -0.001 0.000 1.089 193 L CA -0.644 54.194 54.840 -0.004 0.000 0.836 193 L CB -0.189 41.868 42.059 -0.003 0.000 1.184 193 L HN 0.243 nan 8.230 nan 0.000 0.444 194 L N 3.846 125.070 121.223 0.001 0.000 2.305 194 L HA 0.558 4.898 4.340 -0.001 0.000 0.281 194 L C -2.261 174.611 176.870 0.004 0.000 1.085 194 L CA -1.846 52.996 54.840 0.004 0.000 0.813 194 L CB -0.663 41.400 42.059 0.006 0.000 1.157 194 L HN 0.289 nan 8.230 nan 0.000 0.436 195 P HA 0.217 nan 4.420 nan 0.000 0.275 195 P C -0.809 176.495 177.300 0.008 0.000 1.227 195 P CA -0.369 62.735 63.100 0.007 0.000 0.781 195 P CB 0.668 32.373 31.700 0.008 0.000 0.906 196 E N 3.327 123.531 120.200 0.007 0.000 2.250 196 E HA 0.473 4.822 4.350 -0.001 0.000 0.265 196 E C -2.610 173.995 176.600 0.008 0.000 1.033 196 E CA -2.387 54.017 56.400 0.007 0.000 0.888 196 E CB -0.521 29.182 29.700 0.004 0.000 1.151 196 E HN 0.207 nan 8.360 nan 0.000 0.412 197 P HA 0.190 nan 4.420 nan 0.000 0.286 197 P C -0.794 176.511 177.300 0.009 0.000 1.269 197 P CA -0.359 62.748 63.100 0.011 0.000 0.787 197 P CB 0.450 32.156 31.700 0.011 0.000 0.920 198 D N 2.218 122.624 120.400 0.010 0.000 2.363 198 D HA -0.038 4.601 4.640 -0.001 0.000 0.263 198 D C 1.253 177.557 176.300 0.007 0.000 1.258 198 D CA -0.113 53.892 54.000 0.008 0.000 0.907 198 D CB 0.592 41.398 40.800 0.010 0.000 1.107 198 D HN 0.132 nan 8.370 nan 0.000 0.495 199 V N 2.716 122.632 119.914 0.004 0.000 3.041 199 V HA -0.137 3.982 4.120 -0.001 0.000 0.260 199 V C 1.495 177.589 176.094 0.000 0.000 1.105 199 V CA 0.966 63.267 62.300 0.002 0.000 1.125 199 V CB -0.179 31.644 31.823 0.000 0.000 0.730 199 V HN 0.506 nan 8.190 nan 0.000 0.479 200 Q N 1.660 121.461 119.800 0.001 0.000 2.020 200 Q HA 0.025 4.364 4.340 -0.001 0.000 0.198 200 Q C 2.508 178.508 176.000 -0.001 0.000 0.974 200 Q CA 2.038 57.840 55.803 -0.001 0.000 0.829 200 Q CB -0.881 27.857 28.738 -0.000 0.000 0.894 200 Q HN 0.729 nan 8.270 nan 0.000 0.433 201 A N 0.876 123.698 122.820 0.004 0.000 1.972 201 A HA -0.081 4.238 4.320 -0.001 0.000 0.219 201 A C 2.447 180.036 177.584 0.008 0.000 1.169 201 A CA 1.246 53.287 52.037 0.008 0.000 0.635 201 A CB -0.537 18.472 19.000 0.015 0.000 0.810 201 A HN 0.187 nan 8.150 nan 0.000 0.446 202 V N -0.379 119.540 119.914 0.007 0.000 2.427 202 V HA -0.192 3.927 4.120 -0.001 0.000 0.248 202 V C 2.705 178.798 176.094 -0.001 0.000 1.051 202 V CA 2.361 64.665 62.300 0.007 0.000 1.048 202 V CB -1.209 30.618 31.823 0.007 0.000 0.666 202 V HN 0.594 nan 8.190 nan 0.000 0.456 203 T N -0.408 114.143 114.554 -0.006 0.000 2.708 203 T HA -0.189 4.160 4.350 -0.001 0.000 0.266 203 T C 2.095 176.783 174.700 -0.019 0.000 1.037 203 T CA 1.340 63.432 62.100 -0.012 0.000 1.146 203 T CB -0.260 68.601 68.868 -0.012 0.000 0.865 203 T HN 0.339 nan 8.240 nan 0.000 0.435 204 R N 0.377 120.865 120.500 -0.019 0.000 2.103 204 R HA -0.059 4.280 4.340 -0.001 0.000 0.242 204 R C 2.508 178.784 176.300 -0.039 0.000 1.142 204 R CA 1.245 57.327 56.100 -0.030 0.000 0.960 204 R CB -0.680 29.606 30.300 -0.022 0.000 0.858 204 R HN 0.377 nan 8.270 nan 0.000 0.439 205 L N 0.444 121.657 121.223 -0.018 0.000 2.027 205 L HA -0.144 4.195 4.340 -0.001 0.000 0.206 205 L C 1.997 178.856 176.870 -0.018 0.000 1.074 205 L CA 1.661 56.495 54.840 -0.009 0.000 0.745 205 L CB -0.431 41.639 42.059 0.018 0.000 0.898 205 L HN 0.149 nan 8.230 nan 0.000 0.433 206 T N -0.287 114.258 114.554 -0.016 0.000 2.699 206 T HA -0.229 4.120 4.350 -0.001 0.000 0.268 206 T C 1.870 176.549 174.700 -0.035 0.000 1.036 206 T CA 1.529 63.617 62.100 -0.020 0.000 1.147 206 T CB -0.239 68.619 68.868 -0.017 0.000 0.862 206 T HN 0.385 nan 8.240 nan 0.000 0.446 207 Q N 0.727 120.500 119.800 -0.046 0.000 2.020 207 Q HA -0.056 4.283 4.340 -0.001 0.000 0.202 207 Q C 2.752 178.701 176.000 -0.086 0.000 0.982 207 Q CA 1.568 57.334 55.803 -0.061 0.000 0.838 207 Q CB -1.219 27.480 28.738 -0.065 0.000 0.899 207 Q HN 0.484 nan 8.270 nan 0.000 0.423 208 T N 2.271 116.753 114.554 -0.121 0.000 2.759 208 T HA -0.149 4.201 4.350 -0.001 0.000 0.269 208 T C 1.890 176.529 174.700 -0.102 0.000 1.042 208 T CA 1.135 63.125 62.100 -0.183 0.000 1.140 208 T CB -0.339 68.369 68.868 -0.266 0.000 0.864 208 T HN 0.111 nan 8.240 nan 0.000 0.455 209 L N 0.884 122.071 121.223 -0.060 0.000 1.994 209 L HA 0.034 4.373 4.340 -0.001 0.000 0.208 209 L C 2.169 179.020 176.870 -0.031 0.000 1.071 209 L CA 1.646 56.468 54.840 -0.031 0.000 0.745 209 L CB -0.754 41.298 42.059 -0.012 0.000 0.892 209 L HN 0.239 nan 8.230 nan 0.000 0.431 210 L N -0.547 120.654 121.223 -0.036 0.000 2.046 210 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 210 L C 2.640 179.488 176.870 -0.036 0.000 1.077 210 L CA 1.178 55.997 54.840 -0.034 0.000 0.747 210 L CB -0.852 41.186 42.059 -0.035 0.000 0.896 210 L HN 0.401 nan 8.230 nan 0.000 0.432 211 A N 0.167 122.959 122.820 -0.047 0.000 2.024 211 A HA -0.001 4.319 4.320 -0.001 0.000 0.220 211 A C 1.452 179.015 177.584 -0.035 0.000 1.164 211 A CA 1.001 53.013 52.037 -0.043 0.000 0.643 211 A CB -0.690 18.273 19.000 -0.062 0.000 0.806 211 A HN 0.347 nan 8.150 nan 0.000 0.451 212 A N -0.435 122.361 122.820 -0.040 0.000 2.498 212 A HA 0.332 4.651 4.320 -0.001 0.000 0.239 212 A C 0.882 178.413 177.584 -0.089 0.000 1.068 212 A CA 0.561 52.565 52.037 -0.056 0.000 0.766 212 A CB 0.206 19.168 19.000 -0.063 0.000 1.003 212 A HN 0.530 nan 8.150 nan 0.000 0.497 213 E N 0.881 120.996 120.200 -0.142 0.000 2.102 213 E HA 0.038 4.387 4.350 -0.001 0.000 0.190 213 E C 0.551 176.934 176.600 -0.363 0.000 0.971 213 E CA 0.704 56.999 56.400 -0.174 0.000 0.821 213 E CB 0.169 29.778 29.700 -0.153 0.000 0.777 213 E HN 0.663 nan 8.360 nan 0.000 0.460 214 R N 1.058 121.187 120.500 -0.617 0.000 2.748 214 R HA 0.277 4.616 4.340 -0.001 0.000 0.283 214 R C -2.528 173.274 176.300 -0.830 0.000 1.507 214 R CA -1.661 53.561 56.100 -1.463 0.000 1.666 214 R CB 1.399 30.635 30.300 -1.773 0.000 1.237 214 R HN 0.155 nan 8.270 nan 0.000 0.633 215 P HA 0.202 nan 4.420 nan 0.000 0.276 215 P C -0.663 176.774 177.300 0.228 0.000 1.244 215 P CA -0.201 62.894 63.100 -0.009 0.000 0.801 215 P CB 1.486 33.211 31.700 0.042 0.000 1.006 216 L N 1.673 122.961 121.223 0.109 0.000 2.455 216 L HA 0.491 4.830 4.340 -0.001 0.000 0.264 216 L C -0.043 176.865 176.870 0.064 0.000 0.968 216 L CA -0.837 54.077 54.840 0.123 0.000 0.827 216 L CB 2.238 44.333 42.059 0.060 0.000 1.317 216 L HN 0.233 nan 8.230 nan 0.000 0.407 217 I N 2.885 123.533 120.570 0.131 0.000 2.315 217 I HA 0.217 4.386 4.170 -0.001 0.000 0.291 217 I C -1.176 175.092 176.117 0.251 0.000 1.006 217 I CA -0.417 60.986 61.300 0.171 0.000 1.265 217 I CB 0.872 39.004 38.000 0.220 0.000 1.387 217 I HN 0.408 nan 8.210 nan 0.000 0.475 218 Y N 9.600 129.895 120.300 -0.008 0.000 2.388 218 Y HA 0.392 4.942 4.550 -0.001 0.000 0.328 218 Y C -1.020 174.947 175.900 0.111 0.000 0.963 218 Y CA -1.760 56.312 58.100 -0.047 0.000 1.240 218 Y CB 0.510 38.831 38.460 -0.231 0.000 1.118 218 Y HN 0.446 nan 8.280 nan 0.000 0.484 219 Y N 3.096 123.531 120.300 0.226 0.000 2.487 219 Y HA 0.973 5.522 4.550 -0.001 0.000 0.337 219 Y C 0.073 176.023 175.900 0.083 0.000 1.076 219 Y CA -1.200 56.967 58.100 0.112 0.000 1.115 219 Y CB 1.291 39.832 38.460 0.136 0.000 1.235 219 Y HN 0.605 nan 8.280 nan 0.000 0.468 220 G N 0.797 109.708 108.800 0.186 0.000 3.107 220 G HA2 0.405 4.365 3.960 -0.001 0.000 0.232 220 G HA3 0.405 4.365 3.960 -0.001 0.000 0.232 220 G C -0.007 175.029 174.900 0.227 0.000 1.339 220 G CA -0.726 44.461 45.100 0.145 0.000 1.033 220 G HN 0.877 nan 8.290 nan 0.000 0.567 221 I N -0.850 119.820 120.570 0.166 0.000 2.916 221 I HA 0.136 4.306 4.170 -0.001 0.000 0.267 221 I C 2.343 178.532 176.117 0.119 0.000 1.263 221 I CA 1.101 62.489 61.300 0.148 0.000 1.471 221 I CB -0.693 37.374 38.000 0.111 0.000 1.089 221 I HN 0.392 nan 8.210 nan 0.000 0.468 222 G N 0.914 109.780 108.800 0.110 0.000 2.501 222 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.220 222 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.220 222 G C 1.437 176.388 174.900 0.085 0.000 1.114 222 G CA 0.556 45.706 45.100 0.085 0.000 0.757 222 G HN 0.629 nan 8.290 nan 0.000 0.559 223 A N -0.082 122.807 122.820 0.116 0.000 2.462 223 A HA 0.420 4.739 4.320 -0.001 0.000 0.261 223 A C 1.945 179.550 177.584 0.036 0.000 1.323 223 A CA -0.091 51.986 52.037 0.067 0.000 0.913 223 A CB -0.202 18.833 19.000 0.058 0.000 1.028 223 A HN 0.284 nan 8.150 nan 0.000 0.511 224 R N 0.539 121.077 120.500 0.064 0.000 2.159 224 R HA -0.223 4.116 4.340 -0.001 0.000 0.249 224 R C 0.997 177.307 176.300 0.017 0.000 1.136 224 R CA 2.195 58.325 56.100 0.050 0.000 0.951 224 R CB -0.183 30.149 30.300 0.053 0.000 0.876 224 R HN 0.434 nan 8.270 nan 0.000 0.440 225 K N -0.970 119.436 120.400 0.010 0.000 2.417 225 K HA 0.141 4.460 4.320 -0.001 0.000 0.196 225 K C 0.539 177.124 176.600 -0.024 0.000 1.023 225 K CA 0.326 56.611 56.287 -0.002 0.000 1.122 225 K CB 1.020 33.524 32.500 0.006 0.000 0.850 225 K HN 0.141 nan 8.250 nan 0.000 0.521 226 A N 0.104 122.896 122.820 -0.047 0.000 2.616 226 A HA 0.284 4.603 4.320 -0.001 0.000 0.294 226 A C 1.478 178.984 177.584 -0.130 0.000 1.091 226 A CA -0.175 51.818 52.037 -0.074 0.000 0.971 226 A CB 0.131 19.093 19.000 -0.064 0.000 1.222 226 A HN 0.293 nan 8.150 nan 0.000 0.521 227 G N 0.543 109.266 108.800 -0.130 0.000 2.402 227 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.216 227 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.216 227 G C 1.605 176.412 174.900 -0.155 0.000 1.162 227 G CA 0.916 45.913 45.100 -0.171 0.000 0.777 227 G HN 0.385 nan 8.290 nan 0.000 0.539 228 K N 0.457 120.790 120.400 -0.112 0.000 2.001 228 K HA -0.149 4.170 4.320 -0.001 0.000 0.214 228 K C 2.501 179.037 176.600 -0.107 0.000 1.050 228 K CA 1.800 58.026 56.287 -0.102 0.000 0.934 228 K CB -0.256 32.201 32.500 -0.070 0.000 0.718 228 K HN 0.288 nan 8.250 nan 0.000 0.443 229 E N 0.818 120.963 120.200 -0.091 0.000 2.077 229 E HA -0.121 4.229 4.350 -0.001 0.000 0.193 229 E C 2.123 178.670 176.600 -0.087 0.000 0.989 229 E CA 0.831 57.185 56.400 -0.077 0.000 0.800 229 E CB -0.176 29.489 29.700 -0.058 0.000 0.746 229 E HN 0.178 nan 8.360 nan 0.000 0.452 230 L N 0.646 121.794 121.223 -0.125 0.000 2.042 230 L HA -0.231 4.109 4.340 -0.001 0.000 0.210 230 L C 2.576 179.390 176.870 -0.094 0.000 1.076 230 L CA 1.483 56.246 54.840 -0.129 0.000 0.749 230 L CB -0.280 41.599 42.059 -0.299 0.000 0.893 230 L HN 0.193 nan 8.230 nan 0.000 0.432 231 E N -0.470 119.629 120.200 -0.168 0.000 2.072 231 E HA -0.256 4.093 4.350 -0.001 0.000 0.190 231 E C 2.213 178.699 176.600 -0.191 0.000 0.982 231 E CA 1.013 57.243 56.400 -0.284 0.000 0.803 231 E CB 0.104 29.555 29.700 -0.413 0.000 0.755 231 E HN 0.426 nan 8.360 nan 0.000 0.453 232 Q N 0.195 119.918 119.800 -0.129 0.000 2.030 232 Q HA -0.196 4.144 4.340 -0.001 0.000 0.204 232 Q C 2.258 178.227 176.000 -0.051 0.000 0.986 232 Q CA 1.502 57.257 55.803 -0.081 0.000 0.843 232 Q CB -0.159 28.539 28.738 -0.067 0.000 0.904 232 Q HN 0.229 nan 8.270 nan 0.000 0.420 233 L N -0.041 121.158 121.223 -0.040 0.000 2.079 233 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 233 L C 2.269 179.140 176.870 0.002 0.000 1.081 233 L CA 2.158 56.986 54.840 -0.020 0.000 0.752 233 L CB -0.930 41.124 42.059 -0.008 0.000 0.896 233 L HN 0.185 nan 8.230 nan 0.000 0.433 234 S N -1.219 114.513 115.700 0.053 0.000 2.368 234 S HA -0.165 4.304 4.470 -0.001 0.000 0.224 234 S C 2.036 176.684 174.600 0.080 0.000 1.029 234 S CA 1.192 59.489 58.200 0.161 0.000 0.988 234 S CB -0.109 63.313 63.200 0.371 0.000 0.838 234 S HN 0.514 nan 8.310 nan 0.000 0.462 235 K N 0.084 120.536 120.400 0.087 0.000 2.001 235 K HA -0.035 4.284 4.320 -0.001 0.000 0.208 235 K C 2.344 178.851 176.600 -0.155 0.000 1.048 235 K CA 1.646 57.954 56.287 0.035 0.000 0.932 235 K CB -0.835 31.714 32.500 0.082 0.000 0.715 235 K HN 0.323 nan 8.250 nan 0.000 0.437 236 T N 2.302 116.791 114.554 -0.109 0.000 2.580 236 T HA -0.126 4.224 4.350 -0.001 0.000 0.265 236 T C 1.724 176.317 174.700 -0.179 0.000 1.063 236 T CA 1.336 63.363 62.100 -0.122 0.000 1.170 236 T CB -0.161 68.661 68.868 -0.076 0.000 0.863 236 T HN 0.134 nan 8.240 nan 0.000 0.418 237 L N 0.218 121.340 121.223 -0.169 0.000 2.592 237 L HA 0.195 4.535 4.340 -0.001 0.000 0.227 237 L C 0.254 176.958 176.870 -0.276 0.000 1.127 237 L CA -0.001 54.738 54.840 -0.168 0.000 0.884 237 L CB -0.164 41.846 42.059 -0.083 0.000 1.065 237 L HN 0.178 nan 8.230 nan 0.000 0.457 238 K N 0.891 120.961 120.400 -0.549 0.000 3.096 238 K HA -0.145 4.174 4.320 -0.001 0.000 0.266 238 K C -0.413 175.997 176.600 -0.317 0.000 1.043 238 K CA 0.818 56.437 56.287 -1.113 0.000 0.758 238 K CB -2.168 29.697 32.500 -1.059 0.000 1.260 238 K HN 0.375 nan 8.250 nan 0.000 0.481 239 I N 1.209 121.764 120.570 -0.024 0.000 2.362 239 I HA 0.219 4.388 4.170 -0.001 0.000 0.289 239 I C -2.047 174.319 176.117 0.414 0.000 0.994 239 I CA -2.492 58.964 61.300 0.260 0.000 1.158 239 I CB 1.648 39.748 38.000 0.166 0.000 1.315 239 I HN -0.201 nan 8.210 nan 0.000 0.451 240 P HA 0.162 nan 4.420 nan 0.000 0.269 240 P C -0.844 176.572 177.300 0.193 0.000 1.209 240 P CA -0.049 63.162 63.100 0.186 0.000 0.776 240 P CB 0.578 32.222 31.700 -0.093 0.000 0.876 241 L N 2.893 124.240 121.223 0.206 0.000 2.309 241 L HA 0.547 4.887 4.340 -0.001 0.000 0.282 241 L C 0.335 177.250 176.870 0.076 0.000 1.036 241 L CA -0.390 54.634 54.840 0.307 0.000 0.806 241 L CB 0.968 43.383 42.059 0.593 0.000 1.220 241 L HN 0.309 nan 8.230 nan 0.000 0.429 242 M N 2.107 121.737 119.600 0.050 0.000 2.518 242 M HA 0.449 4.928 4.480 -0.001 0.000 0.300 242 M C -0.644 175.546 176.300 -0.184 0.000 1.175 242 M CA -0.382 54.808 55.300 -0.182 0.000 0.890 242 M CB 2.718 35.134 32.600 -0.307 0.000 1.710 242 M HN 0.717 nan 8.290 nan 0.000 0.453 243 S N 0.251 115.840 115.700 -0.186 0.000 2.634 243 S HA 0.735 5.204 4.470 -0.001 0.000 0.296 243 S C -0.259 174.451 174.600 0.184 0.000 1.104 243 S CA -0.743 57.317 58.200 -0.234 0.000 0.920 243 S CB 1.584 64.625 63.200 -0.265 0.000 1.111 243 S HN 0.753 nan 8.310 nan 0.000 0.493 244 T N -0.309 114.340 114.554 0.158 0.000 2.856 244 T HA 0.165 4.514 4.350 -0.001 0.000 0.306 244 T C 0.893 175.735 174.700 0.237 0.000 1.062 244 T CA -0.199 62.037 62.100 0.227 0.000 1.083 244 T CB -0.093 68.867 68.868 0.153 0.000 0.984 244 T HN 0.723 nan 8.240 nan 0.000 0.542 245 Y N 3.308 123.697 120.300 0.148 0.000 2.030 245 Y HA -0.117 4.433 4.550 -0.001 0.000 0.272 245 Y C -0.820 175.215 175.900 0.225 0.000 1.185 245 Y CA 2.133 60.327 58.100 0.155 0.000 1.120 245 Y CB -1.482 37.054 38.460 0.127 0.000 0.955 245 Y HN 0.535 nan 8.280 nan 0.000 0.495 246 P HA -0.051 nan 4.420 nan 0.000 0.230 246 P C 0.606 178.052 177.300 0.244 0.000 1.158 246 P CA 1.787 65.095 63.100 0.347 0.000 0.769 246 P CB -0.230 31.622 31.700 0.253 0.000 0.807 247 A N -0.866 122.093 122.820 0.231 0.000 2.238 247 A HA 0.013 4.333 4.320 -0.001 0.000 0.210 247 A C 1.181 178.923 177.584 0.263 0.000 1.179 247 A CA -0.144 52.044 52.037 0.252 0.000 0.827 247 A CB -0.783 18.370 19.000 0.256 0.000 0.856 247 A HN 0.041 nan 8.150 nan 0.000 0.488 248 K N 0.091 120.605 120.400 0.191 0.000 2.543 248 K HA 0.123 4.443 4.320 -0.001 0.000 0.279 248 K C 1.209 177.864 176.600 0.092 0.000 1.001 248 K CA 1.167 57.485 56.287 0.051 0.000 1.088 248 K CB -0.175 32.206 32.500 -0.199 0.000 0.863 248 K HN 0.796 nan 8.250 nan 0.000 0.488 249 G N 3.729 112.498 108.800 -0.053 0.000 2.241 249 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.244 249 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.244 249 G C 0.877 175.791 174.900 0.024 0.000 0.998 249 G CA 0.307 45.400 45.100 -0.012 0.000 0.621 249 G HN 0.653 nan 8.290 nan 0.000 0.519 250 I N 0.515 121.137 120.570 0.086 0.000 2.315 250 I HA 0.003 4.172 4.170 -0.001 0.000 0.248 250 I C 0.876 176.980 176.117 -0.022 0.000 1.117 250 I CA 1.217 62.558 61.300 0.068 0.000 1.404 250 I CB -0.010 38.087 38.000 0.162 0.000 1.071 250 I HN 0.098 nan 8.210 nan 0.000 0.419 251 V N 1.486 121.382 119.914 -0.030 0.000 2.417 251 V HA 0.482 4.601 4.120 -0.001 0.000 0.291 251 V C 0.357 176.359 176.094 -0.155 0.000 1.024 251 V CA -1.310 60.938 62.300 -0.087 0.000 0.861 251 V CB 1.289 33.116 31.823 0.007 0.000 0.985 251 V HN 0.234 nan 8.190 nan 0.000 0.436 252 A N 3.093 125.856 122.820 -0.096 0.000 2.598 252 A HA -0.025 4.294 4.320 -0.001 0.000 0.239 252 A C 1.208 178.728 177.584 -0.107 0.000 1.032 252 A CA 0.265 52.256 52.037 -0.076 0.000 0.760 252 A CB -0.117 18.871 19.000 -0.020 0.000 0.946 252 A HN 0.919 nan 8.150 nan 0.000 0.512 253 D N 1.858 122.171 120.400 -0.144 0.000 2.263 253 D HA -0.172 4.468 4.640 -0.001 0.000 0.208 253 D C 2.093 178.415 176.300 0.037 0.000 0.971 253 D CA 1.583 55.514 54.000 -0.115 0.000 0.867 253 D CB -0.019 40.732 40.800 -0.082 0.000 0.929 253 D HN 0.860 nan 8.370 nan 0.000 0.492 254 R N 0.270 120.791 120.500 0.034 0.000 2.096 254 R HA -0.170 4.170 4.340 -0.001 0.000 0.235 254 R C 1.089 177.453 176.300 0.108 0.000 1.127 254 R CA 0.263 56.395 56.100 0.053 0.000 0.968 254 R CB -1.047 29.276 30.300 0.039 0.000 0.861 254 R HN 0.026 nan 8.270 nan 0.000 0.440 255 Y N 4.071 124.381 120.300 0.016 0.000 2.887 255 Y HA -0.009 4.540 4.550 -0.001 0.000 0.350 255 Y C -1.804 174.130 175.900 0.057 0.000 1.294 255 Y CA -2.253 55.875 58.100 0.046 0.000 1.622 255 Y CB 0.690 39.190 38.460 0.066 0.000 1.201 255 Y HN 0.046 nan 8.280 nan 0.000 0.546 256 P HA -0.057 nan 4.420 nan 0.000 0.225 256 P C 0.429 177.366 177.300 -0.604 0.000 1.148 256 P CA 1.950 64.825 63.100 -0.375 0.000 0.779 256 P CB 0.257 31.794 31.700 -0.271 0.000 0.780 257 A N -2.274 119.904 122.820 -1.069 0.000 2.387 257 A HA 0.078 4.397 4.320 -0.001 0.000 0.234 257 A C 0.172 177.515 177.584 -0.401 0.000 1.253 257 A CA -0.292 51.251 52.037 -0.824 0.000 0.894 257 A CB -1.100 17.454 19.000 -0.743 0.000 0.963 257 A HN 0.104 nan 8.150 nan 0.000 0.508 258 Y N 1.040 121.125 120.300 -0.359 0.000 2.531 258 Y HA 0.351 4.900 4.550 -0.001 0.000 0.347 258 Y C 0.698 176.538 175.900 -0.100 0.000 1.024 258 Y CA -0.519 57.558 58.100 -0.039 0.000 1.306 258 Y CB 0.391 38.929 38.460 0.130 0.000 1.149 258 Y HN 0.167 nan 8.280 nan 0.000 0.527 259 L N 6.015 126.871 121.223 -0.612 0.000 2.509 259 L HA 0.249 4.589 4.340 -0.001 0.000 0.222 259 L C 1.381 177.868 176.870 -0.639 0.000 1.123 259 L CA 0.553 55.071 54.840 -0.537 0.000 0.856 259 L CB -0.899 40.899 42.059 -0.436 0.000 0.985 259 L HN 1.028 nan 8.230 nan 0.000 0.456 260 G N 0.376 108.472 108.800 -1.173 0.000 2.512 260 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.210 260 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.210 260 G C -0.345 174.290 174.900 -0.442 0.000 1.295 260 G CA -0.245 44.437 45.100 -0.697 0.000 0.934 260 G HN 0.342 nan 8.290 nan 0.000 0.554 261 S N -0.431 115.171 115.700 -0.162 0.000 2.621 261 S HA 0.965 5.435 4.470 -0.001 0.000 0.302 261 S C 0.165 174.717 174.600 -0.080 0.000 1.093 261 S CA 0.680 58.849 58.200 -0.050 0.000 1.017 261 S CB 1.926 65.191 63.200 0.108 0.000 1.077 261 S HN 2.448 nan 8.310 nan 0.000 0.517 262 A N 1.413 124.197 122.820 -0.059 0.000 2.322 262 A HA 0.919 5.238 4.320 -0.001 0.000 0.327 262 A C 0.446 178.073 177.584 0.072 0.000 1.134 262 A CA -0.472 51.528 52.037 -0.061 0.000 0.831 262 A CB 0.441 19.332 19.000 -0.180 0.000 1.288 262 A HN 1.152 nan 8.150 nan 0.000 0.472 263 N N -0.929 117.809 118.700 0.063 0.000 1.972 263 N HA -0.140 4.599 4.740 -0.001 0.000 0.239 263 N C 0.054 175.619 175.510 0.091 0.000 0.779 263 N CA 1.330 54.439 53.050 0.098 0.000 1.486 263 N CB -0.671 37.900 38.487 0.140 0.000 1.842 263 N HN 0.718 nan 8.380 nan 0.000 0.338 264 R N 0.306 120.873 120.500 0.112 0.000 2.688 264 R HA 0.657 4.997 4.340 -0.001 0.000 0.396 264 R C -0.815 175.582 176.300 0.162 0.000 1.081 264 R CA 0.662 56.843 56.100 0.137 0.000 1.093 264 R CB 0.117 30.514 30.300 0.163 0.000 1.338 264 R HN 0.416 nan 8.270 nan 0.000 0.613 265 A N 0.040 122.973 122.820 0.189 0.000 2.637 265 A HA 0.506 4.825 4.320 -0.001 0.000 0.293 265 A C 0.388 178.099 177.584 0.211 0.000 1.216 265 A CA -0.205 51.990 52.037 0.264 0.000 0.956 265 A CB 0.413 19.720 19.000 0.512 0.000 1.174 265 A HN 0.335 nan 8.150 nan 0.000 0.525 266 A N 0.216 123.116 122.820 0.134 0.000 2.445 266 A HA 0.494 4.813 4.320 -0.001 0.000 0.242 266 A C 0.320 177.905 177.584 0.001 0.000 1.075 266 A CA 0.064 52.130 52.037 0.049 0.000 0.777 266 A CB 0.149 19.147 19.000 -0.003 0.000 1.013 266 A HN 0.615 nan 8.150 nan 0.000 0.493 267 Q N 0.586 120.330 119.800 -0.094 0.000 2.226 267 Q HA 0.223 4.562 4.340 -0.001 0.000 0.256 267 Q C 0.774 176.406 176.000 -0.613 0.000 0.962 267 Q CA -0.667 54.990 55.803 -0.244 0.000 0.887 267 Q CB 1.821 30.492 28.738 -0.111 0.000 1.282 267 Q HN 0.871 nan 8.270 nan 0.000 0.449 268 K N 1.906 121.552 120.400 -1.256 0.000 2.009 268 K HA -0.156 4.164 4.320 -0.001 0.000 0.210 268 K C -0.996 175.178 176.600 -0.710 0.000 1.049 268 K CA 1.682 57.364 56.287 -1.009 0.000 0.929 268 K CB -0.738 31.005 32.500 -1.262 0.000 0.714 268 K HN 0.334 nan 8.250 nan 0.000 0.440 269 P HA -0.116 nan 4.420 nan 0.000 0.216 269 P C 0.889 177.950 177.300 -0.397 0.000 1.150 269 P CA 1.862 64.664 63.100 -0.497 0.000 0.837 269 P CB -0.066 31.355 31.700 -0.466 0.000 0.786 270 A N -0.624 121.949 122.820 -0.410 0.000 1.930 270 A HA -0.195 4.125 4.320 -0.001 0.000 0.217 270 A C 2.343 179.760 177.584 -0.278 0.000 1.175 270 A CA 1.551 53.380 52.037 -0.347 0.000 0.627 270 A CB -1.475 17.307 19.000 -0.363 0.000 0.815 270 A HN 0.108 nan 8.150 nan 0.000 0.443 271 N N 0.001 118.538 118.700 -0.273 0.000 2.084 271 N HA -0.140 4.599 4.740 -0.001 0.000 0.190 271 N C 1.695 177.112 175.510 -0.155 0.000 1.030 271 N CA 1.688 54.620 53.050 -0.197 0.000 0.849 271 N CB -0.232 38.133 38.487 -0.204 0.000 1.012 271 N HN 0.653 nan 8.380 nan 0.000 0.423 272 E N 0.293 120.385 120.200 -0.179 0.000 2.072 272 E HA -0.061 4.289 4.350 -0.001 0.000 0.191 272 E C 1.967 178.535 176.600 -0.053 0.000 0.985 272 E CA 0.925 57.254 56.400 -0.118 0.000 0.801 272 E CB -0.096 29.521 29.700 -0.137 0.000 0.750 272 E HN 0.357 nan 8.360 nan 0.000 0.452 273 A N 1.482 124.254 122.820 -0.080 0.000 1.902 273 A HA -0.178 4.141 4.320 -0.001 0.000 0.217 273 A C 2.183 179.841 177.584 0.124 0.000 1.181 273 A CA 1.043 53.108 52.037 0.047 0.000 0.623 273 A CB -0.556 18.386 19.000 -0.098 0.000 0.818 273 A HN 0.203 nan 8.150 nan 0.000 0.443 274 L N -0.168 121.044 121.223 -0.019 0.000 2.079 274 L HA -0.087 4.252 4.340 -0.001 0.000 0.210 274 L C 2.646 179.510 176.870 -0.010 0.000 1.081 274 L CA 2.086 56.902 54.840 -0.041 0.000 0.752 274 L CB -0.781 41.218 42.059 -0.100 0.000 0.896 274 L HN 0.357 nan 8.230 nan 0.000 0.433 275 A N -1.666 121.153 122.820 -0.001 0.000 2.070 275 A HA -0.156 4.164 4.320 -0.001 0.000 0.220 275 A C 1.992 179.572 177.584 -0.006 0.000 1.159 275 A CA 1.335 53.372 52.037 -0.000 0.000 0.656 275 A CB -0.300 18.697 19.000 -0.005 0.000 0.800 275 A HN 0.600 nan 8.150 nan 0.000 0.453 276 Q N -0.858 118.960 119.800 0.030 0.000 2.319 276 Q HA 0.344 4.683 4.340 -0.001 0.000 0.209 276 Q C 0.634 176.504 176.000 -0.217 0.000 0.884 276 Q CA 0.592 56.389 55.803 -0.010 0.000 0.938 276 Q CB 0.014 28.865 28.738 0.189 0.000 1.098 276 Q HN 0.576 nan 8.270 nan 0.000 0.517 277 A N 2.122 124.837 122.820 -0.175 0.000 2.371 277 A HA 0.188 4.508 4.320 -0.001 0.000 0.257 277 A C 0.771 178.159 177.584 -0.325 0.000 1.089 277 A CA -0.020 51.827 52.037 -0.316 0.000 0.794 277 A CB 0.338 19.254 19.000 -0.140 0.000 1.029 277 A HN 0.225 nan 8.150 nan 0.000 0.488 278 D N 0.317 120.493 120.400 -0.373 0.000 2.431 278 D HA 0.079 4.718 4.640 -0.001 0.000 0.227 278 D C -0.082 176.055 176.300 -0.271 0.000 1.030 278 D CA 0.526 54.346 54.000 -0.300 0.000 0.897 278 D CB 0.123 40.766 40.800 -0.262 0.000 1.058 278 D HN 0.209 nan 8.370 nan 0.000 0.500 279 V N 1.319 121.091 119.914 -0.237 0.000 2.656 279 V HA 0.451 4.571 4.120 -0.001 0.000 0.307 279 V C -0.494 175.476 176.094 -0.206 0.000 1.051 279 V CA -0.922 61.267 62.300 -0.185 0.000 0.893 279 V CB 2.496 34.284 31.823 -0.059 0.000 0.999 279 V HN -0.028 nan 8.190 nan 0.000 0.426 280 V N 5.344 125.099 119.914 -0.266 0.000 2.483 280 V HA 0.445 4.565 4.120 -0.001 0.000 0.297 280 V C -0.613 175.333 176.094 -0.246 0.000 1.027 280 V CA -0.563 61.561 62.300 -0.292 0.000 0.855 280 V CB 1.784 33.346 31.823 -0.435 0.000 0.995 280 V HN 0.704 nan 8.190 nan 0.000 0.424 281 L N 5.939 127.066 121.223 -0.160 0.000 2.257 281 L HA 0.602 4.941 4.340 -0.001 0.000 0.290 281 L C -0.839 175.980 176.870 -0.086 0.000 1.044 281 L CA 0.336 55.152 54.840 -0.040 0.000 0.810 281 L CB 0.374 42.457 42.059 0.040 0.000 1.193 281 L HN 0.457 nan 8.230 nan 0.000 0.425 282 F N 5.352 125.400 119.950 0.163 0.000 2.390 282 F HA 0.429 4.955 4.527 -0.001 0.000 0.361 282 F C 0.083 175.946 175.800 0.104 0.000 1.124 282 F CA -0.417 57.658 58.000 0.124 0.000 1.149 282 F CB 1.058 40.121 39.000 0.106 0.000 1.160 282 F HN 0.149 nan 8.300 nan 0.000 0.501 283 V N 2.812 122.878 119.914 0.253 0.000 2.357 283 V HA 0.494 4.614 4.120 -0.001 0.000 0.284 283 V C 0.571 176.779 176.094 0.190 0.000 1.018 283 V CA -1.143 61.278 62.300 0.202 0.000 0.841 283 V CB 0.983 32.917 31.823 0.186 0.000 0.991 283 V HN 0.974 nan 8.190 nan 0.000 0.437 284 G N 3.839 112.722 108.800 0.138 0.000 2.424 284 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.294 284 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.294 284 G C 0.308 175.270 174.900 0.103 0.000 0.939 284 G CA 1.078 46.242 45.100 0.107 0.000 1.143 284 G HN 0.729 nan 8.290 nan 0.000 0.507 285 N N 0.549 119.303 118.700 0.089 0.000 2.129 285 N HA 0.288 5.027 4.740 -0.001 0.000 0.125 285 N C 0.774 176.278 175.510 -0.010 0.000 1.571 285 N CA 0.793 53.867 53.050 0.039 0.000 1.136 285 N CB 0.066 38.591 38.487 0.063 0.000 1.205 285 N HN 1.158 nan 8.380 nan 0.000 0.298 299 T N 0.451 114.896 114.554 -0.180 0.000 2.817 299 T HA 0.215 4.564 4.350 -0.001 0.000 0.295 299 T C 1.137 175.646 174.700 -0.317 0.000 0.958 299 T CA 0.142 62.040 62.100 -0.336 0.000 1.157 299 T CB 1.833 70.390 68.868 -0.517 0.000 0.898 299 T HN 0.094 nan 8.240 nan 0.000 0.536 300 R N 1.549 121.811 120.500 -0.396 0.000 2.103 300 R HA 0.135 4.474 4.340 -0.001 0.000 0.212 300 R C -0.316 175.590 176.300 -0.657 0.000 1.107 300 R CA 0.690 56.475 56.100 -0.525 0.000 1.025 300 R CB 0.312 30.234 30.300 -0.630 0.000 0.929 300 R HN 0.581 nan 8.270 nan 0.000 0.456 301 Y N -0.603 119.574 120.300 -0.206 0.000 2.376 301 Y HA 0.350 4.899 4.550 -0.001 0.000 0.340 301 Y C -0.836 174.920 175.900 -0.240 0.000 0.965 301 Y CA -1.135 56.911 58.100 -0.090 0.000 1.078 301 Y CB 1.273 39.711 38.460 -0.037 0.000 1.193 301 Y HN -0.158 nan 8.280 nan 0.000 0.452 302 F N 3.968 124.067 119.950 0.249 0.000 2.385 302 F HA 0.554 5.081 4.527 -0.001 0.000 0.360 302 F C -0.406 175.557 175.800 0.272 0.000 1.122 302 F CA -0.766 57.410 58.000 0.294 0.000 1.090 302 F CB 0.730 39.911 39.000 0.303 0.000 1.150 302 F HN 0.184 nan 8.300 nan 0.000 0.472 303 L N 3.362 124.809 121.223 0.373 0.000 2.334 303 L HA 0.657 4.996 4.340 -0.001 0.000 0.276 303 L C -0.589 176.502 176.870 0.370 0.000 1.014 303 L CA -0.784 54.221 54.840 0.276 0.000 0.815 303 L CB 2.062 44.210 42.059 0.148 0.000 1.268 303 L HN 0.577 nan 8.230 nan 0.000 0.428 304 Q N 2.668 122.634 119.800 0.277 0.000 2.284 304 Q HA 0.578 4.918 4.340 -0.001 0.000 0.269 304 Q C -1.775 174.326 176.000 0.169 0.000 1.026 304 Q CA -0.461 55.509 55.803 0.278 0.000 0.831 304 Q CB 2.553 31.431 28.738 0.234 0.000 1.322 304 Q HN 0.584 nan 8.270 nan 0.000 0.419 305 I N 2.760 123.425 120.570 0.158 0.000 2.441 305 I HA 0.573 4.743 4.170 -0.001 0.000 0.295 305 I C -0.553 175.622 176.117 0.096 0.000 0.994 305 I CA -0.453 60.910 61.300 0.106 0.000 1.144 305 I CB 1.765 39.820 38.000 0.091 0.000 1.314 305 I HN 0.565 nan 8.210 nan 0.000 0.445 306 D N 3.763 124.202 120.400 0.065 0.000 2.685 306 D HA 0.223 4.862 4.640 -0.001 0.000 0.236 306 D C -0.227 176.092 176.300 0.032 0.000 1.233 306 D CA -0.445 53.583 54.000 0.048 0.000 0.760 306 D CB 2.590 43.413 40.800 0.037 0.000 1.410 306 D HN 0.400 nan 8.370 nan 0.000 0.439 307 I N 1.151 121.735 120.570 0.023 0.000 3.603 307 I HA 0.028 4.197 4.170 -0.001 0.000 0.297 307 I C 0.033 176.155 176.117 0.009 0.000 1.269 307 I CA 0.474 61.784 61.300 0.016 0.000 1.361 307 I CB 0.374 38.383 38.000 0.016 0.000 1.063 307 I HN 0.201 nan 8.210 nan 0.000 0.448 308 D N -0.368 120.034 120.400 0.004 0.000 2.440 308 D HA 0.255 4.894 4.640 -0.001 0.000 0.239 308 D C -1.910 174.388 176.300 -0.003 0.000 1.084 308 D CA -2.594 51.404 54.000 -0.004 0.000 0.843 308 D CB 1.847 42.637 40.800 -0.015 0.000 1.097 308 D HN -0.146 nan 8.370 nan 0.000 0.531 309 P HA -0.126 nan 4.420 nan 0.000 0.218 309 P C 0.961 178.258 177.300 -0.004 0.000 1.146 309 P CA 1.353 64.454 63.100 0.001 0.000 0.813 309 P CB 0.238 31.940 31.700 0.003 0.000 0.778 310 A N -0.439 122.376 122.820 -0.008 0.000 2.067 310 A HA -0.150 4.169 4.320 -0.001 0.000 0.219 310 A C 1.967 179.537 177.584 -0.023 0.000 1.158 310 A CA 1.283 53.312 52.037 -0.013 0.000 0.661 310 A CB -0.693 18.301 19.000 -0.012 0.000 0.801 310 A HN 0.066 nan 8.150 nan 0.000 0.452 311 K N -0.077 120.308 120.400 -0.025 0.000 2.296 311 K HA 0.117 4.436 4.320 -0.001 0.000 0.200 311 K C 0.342 176.919 176.600 -0.039 0.000 1.048 311 K CA 0.210 56.475 56.287 -0.037 0.000 0.966 311 K CB -0.386 32.094 32.500 -0.033 0.000 0.754 311 K HN 0.477 nan 8.250 nan 0.000 0.466 312 L N 1.562 122.773 121.223 -0.020 0.000 2.449 312 L HA 0.052 4.391 4.340 -0.001 0.000 0.266 312 L C 0.751 177.609 176.870 -0.020 0.000 1.321 312 L CA 0.162 54.996 54.840 -0.010 0.000 1.194 312 L CB -0.666 41.399 42.059 0.010 0.000 1.384 312 L HN 0.395 nan 8.230 nan 0.000 0.438 313 G N 1.339 110.109 108.800 -0.050 0.000 2.200 313 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.145 313 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.145 313 G C 0.855 175.688 174.900 -0.112 0.000 1.021 313 G CA 0.027 45.084 45.100 -0.071 0.000 0.720 313 G HN 0.554 nan 8.290 nan 0.000 0.494 314 K N 0.215 120.542 120.400 -0.122 0.000 2.147 314 K HA -0.024 4.295 4.320 -0.001 0.000 0.205 314 K C 2.494 179.006 176.600 -0.147 0.000 1.049 314 K CA 1.348 57.565 56.287 -0.117 0.000 0.936 314 K CB -0.075 32.367 32.500 -0.097 0.000 0.722 314 K HN 0.473 nan 8.250 nan 0.000 0.446 315 R N -0.301 120.074 120.500 -0.208 0.000 1.769 315 R HA 0.138 4.477 4.340 -0.001 0.000 0.141 315 R C 1.215 177.345 176.300 -0.284 0.000 1.855 315 R CA -0.071 55.891 56.100 -0.229 0.000 1.662 315 R CB -1.046 29.114 30.300 -0.234 0.000 1.064 315 R HN 0.214 nan 8.270 nan 0.000 0.499 316 H N 1.323 120.172 119.070 -0.369 0.000 2.598 316 H HA 0.091 4.647 4.556 -0.001 0.000 0.371 316 H C 0.335 175.330 175.328 -0.554 0.000 1.468 316 H CA 0.084 55.797 56.048 -0.560 0.000 1.454 316 H CB 0.545 29.615 29.762 -1.153 0.000 1.579 316 H HN -0.120 nan 8.280 nan 0.000 0.611 317 K N 1.372 121.557 120.400 -0.357 0.000 2.339 317 K HA 0.120 4.440 4.320 -0.001 0.000 0.286 317 K C -0.772 175.733 176.600 -0.158 0.000 1.050 317 K CA -0.024 56.145 56.287 -0.197 0.000 0.956 317 K CB 0.210 32.667 32.500 -0.072 0.000 0.990 317 K HN 0.525 nan 8.250 nan 0.000 0.475 318 T N 4.037 118.594 114.554 0.006 0.000 2.797 318 T HA 0.163 4.513 4.350 -0.001 0.000 0.279 318 T C 0.636 175.456 174.700 0.199 0.000 0.991 318 T CA -0.679 61.531 62.100 0.184 0.000 0.979 318 T CB 1.455 70.403 68.868 0.133 0.000 0.943 318 T HN 0.422 nan 8.240 nan 0.000 0.444 319 D N 1.859 122.430 120.400 0.284 0.000 2.154 319 D HA 0.122 4.761 4.640 -0.001 0.000 0.211 319 D C 0.530 176.919 176.300 0.149 0.000 0.977 319 D CA 0.962 55.093 54.000 0.219 0.000 0.869 319 D CB 0.334 41.308 40.800 0.289 0.000 1.022 319 D HN 0.479 nan 8.370 nan 0.000 0.461 320 I N 0.892 121.553 120.570 0.152 0.000 2.339 320 I HA 0.429 4.598 4.170 -0.001 0.000 0.290 320 I C -0.396 175.791 176.117 0.117 0.000 0.994 320 I CA -0.733 60.628 61.300 0.103 0.000 1.191 320 I CB 1.973 40.010 38.000 0.062 0.000 1.343 320 I HN -0.126 nan 8.210 nan 0.000 0.458 321 A N 6.651 129.523 122.820 0.087 0.000 2.311 321 A HA 0.735 5.054 4.320 -0.001 0.000 0.306 321 A C -0.751 176.870 177.584 0.061 0.000 1.189 321 A CA -0.498 51.588 52.037 0.081 0.000 0.791 321 A CB 1.168 20.206 19.000 0.063 0.000 1.172 321 A HN 0.453 nan 8.150 nan 0.000 0.481 322 V N 3.568 123.521 119.914 0.065 0.000 2.370 322 V HA 0.276 4.396 4.120 -0.001 0.000 0.283 322 V C -0.303 175.817 176.094 0.043 0.000 1.023 322 V CA -0.434 61.896 62.300 0.049 0.000 0.857 322 V CB 1.343 33.195 31.823 0.048 0.000 0.985 322 V HN 0.787 nan 8.190 nan 0.000 0.443 323 L N 6.087 127.330 121.223 0.032 0.000 2.375 323 L HA 0.764 5.103 4.340 -0.001 0.000 0.276 323 L C 0.229 177.112 176.870 0.023 0.000 1.162 323 L CA 0.601 55.456 54.840 0.026 0.000 0.991 323 L CB -0.474 41.597 42.059 0.019 0.000 1.315 323 L HN 0.858 nan 8.230 nan 0.000 0.431 324 A N 2.932 125.767 122.820 0.026 0.000 2.540 324 A HA 0.407 4.727 4.320 -0.001 0.000 0.291 324 A C -1.375 176.224 177.584 0.024 0.000 1.083 324 A CA -0.792 51.258 52.037 0.022 0.000 0.650 324 A CB 0.375 19.387 19.000 0.020 0.000 1.292 324 A HN 0.460 nan 8.150 nan 0.000 0.435 325 D N 0.593 121.004 120.400 0.019 0.000 2.458 325 D HA 0.444 5.083 4.640 -0.001 0.000 0.243 325 D C 1.346 177.660 176.300 0.022 0.000 1.146 325 D CA 0.846 54.858 54.000 0.019 0.000 0.877 325 D CB 1.248 42.056 40.800 0.013 0.000 1.176 325 D HN 0.835 nan 8.370 nan 0.000 0.461 326 A N 3.843 126.680 122.820 0.028 0.000 1.917 326 A HA -0.263 4.056 4.320 -0.001 0.000 0.219 326 A C 1.956 179.547 177.584 0.013 0.000 1.182 326 A CA 1.548 53.603 52.037 0.030 0.000 0.633 326 A CB -0.558 18.465 19.000 0.038 0.000 0.819 326 A HN 0.790 nan 8.150 nan 0.000 0.448 327 Q N -0.541 119.262 119.800 0.005 0.000 2.062 327 Q HA -0.107 4.232 4.340 -0.001 0.000 0.196 327 Q C 2.031 178.028 176.000 -0.005 0.000 0.967 327 Q CA 1.346 57.145 55.803 -0.007 0.000 0.832 327 Q CB -0.102 28.631 28.738 -0.009 0.000 0.899 327 Q HN 0.709 nan 8.270 nan 0.000 0.442 328 K N -0.411 119.989 120.400 0.000 0.000 2.063 328 K HA -0.119 4.200 4.320 -0.001 0.000 0.208 328 K C 2.109 178.710 176.600 0.002 0.000 1.048 328 K CA 1.863 58.150 56.287 0.000 0.000 0.928 328 K CB -0.148 32.353 32.500 0.003 0.000 0.713 328 K HN 0.194 nan 8.250 nan 0.000 0.442 329 T N 1.959 116.518 114.554 0.008 0.000 2.746 329 T HA -0.096 4.253 4.350 -0.001 0.000 0.267 329 T C 1.877 176.582 174.700 0.008 0.000 1.039 329 T CA 1.094 63.201 62.100 0.012 0.000 1.142 329 T CB -0.162 68.719 68.868 0.023 0.000 0.866 329 T HN 0.111 nan 8.240 nan 0.000 0.444 330 L N 0.654 121.879 121.223 0.004 0.000 2.156 330 L HA 0.020 4.360 4.340 -0.001 0.000 0.208 330 L C 3.025 179.889 176.870 -0.011 0.000 1.095 330 L CA 0.865 55.703 54.840 -0.003 0.000 0.770 330 L CB -0.664 41.388 42.059 -0.012 0.000 0.914 330 L HN 0.227 nan 8.230 nan 0.000 0.439 331 A N 0.360 123.173 122.820 -0.012 0.000 1.877 331 A HA -0.187 4.133 4.320 -0.001 0.000 0.216 331 A C 2.553 180.131 177.584 -0.011 0.000 1.186 331 A CA 1.840 53.869 52.037 -0.014 0.000 0.620 331 A CB -0.711 18.281 19.000 -0.013 0.000 0.822 331 A HN 0.381 nan 8.150 nan 0.000 0.443 332 A N -0.146 122.671 122.820 -0.007 0.000 1.898 332 A HA -0.052 4.267 4.320 -0.001 0.000 0.216 332 A C 2.115 179.695 177.584 -0.006 0.000 1.181 332 A CA 1.450 53.483 52.037 -0.005 0.000 0.620 332 A CB -0.619 18.380 19.000 -0.002 0.000 0.819 332 A HN 0.503 nan 8.150 nan 0.000 0.442 333 I N -0.751 119.816 120.570 -0.005 0.000 2.163 333 I HA -0.240 3.929 4.170 -0.001 0.000 0.243 333 I C 2.268 178.377 176.117 -0.012 0.000 1.085 333 I CA 0.856 62.153 61.300 -0.006 0.000 1.347 333 I CB -0.341 37.658 38.000 -0.001 0.000 1.044 333 I HN 0.218 nan 8.210 nan 0.000 0.408 334 L N 0.872 122.086 121.223 -0.015 0.000 2.127 334 L HA -0.201 4.138 4.340 -0.001 0.000 0.211 334 L C 2.615 179.473 176.870 -0.020 0.000 1.089 334 L CA 2.078 56.906 54.840 -0.020 0.000 0.757 334 L CB -1.358 40.687 42.059 -0.023 0.000 0.899 334 L HN 0.236 nan 8.230 nan 0.000 0.434 335 A N -0.589 122.221 122.820 -0.016 0.000 1.898 335 A HA -0.188 4.131 4.320 -0.001 0.000 0.216 335 A C 1.861 179.436 177.584 -0.016 0.000 1.181 335 A CA 1.254 53.282 52.037 -0.015 0.000 0.620 335 A CB -0.462 18.531 19.000 -0.012 0.000 0.819 335 A HN 0.661 nan 8.150 nan 0.000 0.442 336 Q N 0.150 119.941 119.800 -0.015 0.000 2.228 336 Q HA 0.318 4.657 4.340 -0.001 0.000 0.211 336 Q C -0.087 175.902 176.000 -0.019 0.000 0.890 336 Q CA 0.261 56.054 55.803 -0.016 0.000 0.953 336 Q CB -0.518 28.211 28.738 -0.014 0.000 1.053 336 Q HN 0.532 nan 8.270 nan 0.000 0.471 337 V N -4.074 115.827 119.914 -0.022 0.000 3.141 337 V HA 0.845 4.965 4.120 -0.001 0.000 0.312 337 V C -0.881 175.196 176.094 -0.030 0.000 1.157 337 V CA -0.880 61.404 62.300 -0.027 0.000 1.041 337 V CB 1.931 33.736 31.823 -0.030 0.000 1.071 337 V HN 0.121 nan 8.190 nan 0.000 0.441 338 S N -0.097 115.582 115.700 -0.035 0.000 2.569 338 S HA 0.505 4.974 4.470 -0.001 0.000 0.280 338 S C -0.663 173.908 174.600 -0.048 0.000 1.111 338 S CA -0.440 57.738 58.200 -0.036 0.000 0.887 338 S CB 1.727 64.909 63.200 -0.030 0.000 1.095 338 S HN 1.320 nan 8.310 nan 0.000 0.476 339 E N 2.756 122.926 120.200 -0.050 0.000 2.924 339 E HA -0.051 4.298 4.350 -0.001 0.000 0.236 339 E C -0.013 176.545 176.600 -0.071 0.000 1.028 339 E CA 0.896 57.258 56.400 -0.065 0.000 0.952 339 E CB 0.027 29.696 29.700 -0.052 0.000 0.918 339 E HN 0.419 nan 8.360 nan 0.000 0.536 340 R N 3.566 124.008 120.500 -0.097 0.000 2.553 340 R HA 0.344 4.683 4.340 -0.001 0.000 0.263 340 R C 0.203 176.428 176.300 -0.125 0.000 1.066 340 R CA -0.776 55.265 56.100 -0.098 0.000 1.135 340 R CB 0.827 31.066 30.300 -0.103 0.000 1.148 340 R HN 0.600 nan 8.270 nan 0.000 0.558 341 E N 0.373 120.513 120.200 -0.101 0.000 2.250 341 E HA 0.090 4.439 4.350 -0.001 0.000 0.265 341 E C -0.496 176.025 176.600 -0.132 0.000 1.033 341 E CA -0.406 55.936 56.400 -0.097 0.000 0.888 341 E CB 1.737 31.412 29.700 -0.041 0.000 1.151 341 E HN 0.345 nan 8.360 nan 0.000 0.412 342 S N 0.629 116.265 115.700 -0.107 0.000 2.571 342 S HA -0.036 4.433 4.470 -0.001 0.000 0.298 342 S C -0.061 174.559 174.600 0.033 0.000 1.280 342 S CA 0.408 58.588 58.200 -0.034 0.000 1.052 342 S CB 0.019 63.286 63.200 0.113 0.000 0.799 342 S HN 0.551 nan 8.310 nan 0.000 0.501 343 T N 2.247 116.868 114.554 0.113 0.000 2.907 343 T HA 0.634 4.983 4.350 -0.001 0.000 0.290 343 T C -2.168 172.607 174.700 0.125 0.000 1.066 343 T CA -1.557 60.618 62.100 0.126 0.000 1.012 343 T CB 1.603 70.559 68.868 0.146 0.000 1.184 343 T HN 0.378 nan 8.240 nan 0.000 0.522 344 P HA -0.064 nan 4.420 nan 0.000 0.217 344 P C 1.439 178.794 177.300 0.091 0.000 1.151 344 P CA 0.853 64.010 63.100 0.096 0.000 0.828 344 P CB -0.077 31.748 31.700 0.210 0.000 0.788 345 W N 0.235 121.539 121.300 0.007 0.000 2.338 345 W HA -0.174 4.485 4.660 -0.001 0.000 0.304 345 W C 2.191 178.710 176.519 0.000 0.000 1.212 345 W CA 0.782 58.130 57.345 0.004 0.000 1.264 345 W CB -0.881 28.597 29.460 0.029 0.000 1.142 345 W HN 0.026 nan 8.180 nan 0.000 0.512 346 W N 1.505 122.715 121.300 -0.149 0.000 2.335 346 W HA -0.261 4.398 4.660 -0.001 0.000 0.311 346 W C 2.155 178.423 176.519 -0.418 0.000 1.213 346 W CA 1.520 58.695 57.345 -0.283 0.000 1.274 346 W CB -0.408 28.965 29.460 -0.145 0.000 1.148 346 W HN -0.013 nan 8.180 nan 0.000 0.498 347 Q N 0.145 119.672 119.800 -0.454 0.000 2.172 347 Q HA -0.090 4.249 4.340 -0.001 0.000 0.200 347 Q C 2.385 177.785 176.000 -1.000 0.000 0.964 347 Q CA 1.622 56.888 55.803 -0.895 0.000 0.855 347 Q CB -0.879 27.088 28.738 -1.285 0.000 0.918 347 Q HN 0.381 nan 8.270 nan 0.000 0.444 348 A N 1.499 123.877 122.820 -0.736 0.000 1.930 348 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 348 A C 1.920 179.250 177.584 -0.424 0.000 1.175 348 A CA 1.248 53.107 52.037 -0.296 0.000 0.627 348 A CB -0.342 18.651 19.000 -0.012 0.000 0.815 348 A HN 0.298 nan 8.150 nan 0.000 0.443 349 N N 0.230 118.549 118.700 -0.635 0.000 2.080 349 N HA -0.076 4.664 4.740 -0.001 0.000 0.189 349 N C 1.807 176.931 175.510 -0.643 0.000 1.036 349 N CA 1.407 54.046 53.050 -0.685 0.000 0.846 349 N CB -0.455 37.514 38.487 -0.863 0.000 1.015 349 N HN 0.450 nan 8.380 nan 0.000 0.423 350 L N 1.121 121.887 121.223 -0.760 0.000 2.064 350 L HA -0.247 4.092 4.340 -0.001 0.000 0.216 350 L C 2.423 178.979 176.870 -0.525 0.000 1.077 350 L CA 1.640 56.067 54.840 -0.688 0.000 0.766 350 L CB -0.524 41.067 42.059 -0.779 0.000 0.890 350 L HN 0.177 nan 8.230 nan 0.000 0.435 351 A N -0.685 121.804 122.820 -0.552 0.000 1.970 351 A HA -0.171 4.148 4.320 -0.001 0.000 0.216 351 A C 2.027 179.036 177.584 -0.958 0.000 1.170 351 A CA 1.568 53.233 52.037 -0.619 0.000 0.645 351 A CB -0.497 18.211 19.000 -0.486 0.000 0.816 351 A HN 0.436 nan 8.150 nan 0.000 0.447 352 N N 0.259 118.451 118.700 -0.846 0.000 2.142 352 N HA -0.117 4.623 4.740 -0.001 0.000 0.186 352 N C 1.526 176.876 175.510 -0.266 0.000 1.023 352 N CA 1.685 54.409 53.050 -0.543 0.000 0.852 352 N CB -0.333 37.983 38.487 -0.285 0.000 0.998 352 N HN 0.135 nan 8.380 nan 0.000 0.424 353 V N 0.957 120.696 119.914 -0.290 0.000 2.332 353 V HA -0.209 3.910 4.120 -0.001 0.000 0.248 353 V C 2.428 178.476 176.094 -0.077 0.000 1.055 353 V CA 1.655 63.862 62.300 -0.155 0.000 1.038 353 V CB -0.516 31.157 31.823 -0.251 0.000 0.651 353 V HN 0.394 nan 8.190 nan 0.000 0.450 354 K N 0.233 120.529 120.400 -0.174 0.000 2.063 354 K HA -0.246 4.073 4.320 -0.001 0.000 0.208 354 K C 2.153 178.726 176.600 -0.046 0.000 1.048 354 K CA 1.970 58.185 56.287 -0.121 0.000 0.928 354 K CB -0.333 32.071 32.500 -0.159 0.000 0.713 354 K HN 0.576 nan 8.250 nan 0.000 0.442 355 N N -0.097 118.579 118.700 -0.040 0.000 2.120 355 N HA -0.208 4.531 4.740 -0.001 0.000 0.188 355 N C 1.806 177.426 175.510 0.183 0.000 1.024 355 N CA 1.057 54.162 53.050 0.092 0.000 0.852 355 N CB -0.185 38.418 38.487 0.192 0.000 1.003 355 N HN 0.451 nan 8.380 nan 0.000 0.424 356 W N 1.947 123.233 121.300 -0.022 0.000 2.378 356 W HA -0.112 4.547 4.660 -0.001 0.000 0.313 356 W C 1.870 178.408 176.519 0.032 0.000 1.197 356 W CA 0.809 58.163 57.345 0.015 0.000 1.304 356 W CB -0.173 29.254 29.460 -0.055 0.000 1.148 356 W HN 0.075 nan 8.180 nan 0.000 0.494 357 R N 0.260 120.722 120.500 -0.062 0.000 2.152 357 R HA -0.114 4.225 4.340 -0.001 0.000 0.232 357 R C 2.397 178.590 176.300 -0.178 0.000 1.117 357 R CA 1.362 57.337 56.100 -0.209 0.000 0.981 357 R CB -0.642 29.596 30.300 -0.103 0.000 0.870 357 R HN 0.157 nan 8.270 nan 0.000 0.451 358 A N 0.300 123.073 122.820 -0.079 0.000 1.968 358 A HA -0.174 4.145 4.320 -0.001 0.000 0.217 358 A C 1.900 179.446 177.584 -0.063 0.000 1.169 358 A CA 0.768 52.771 52.037 -0.057 0.000 0.638 358 A CB -0.508 18.491 19.000 -0.003 0.000 0.812 358 A HN 0.449 nan 8.150 nan 0.000 0.446 359 Y N 0.516 120.713 120.300 -0.173 0.000 2.242 359 Y HA -0.098 4.451 4.550 -0.001 0.000 0.291 359 Y C 1.779 177.482 175.900 -0.329 0.000 1.137 359 Y CA 1.550 59.526 58.100 -0.206 0.000 1.181 359 Y CB -0.223 38.138 38.460 -0.165 0.000 0.989 359 Y HN 0.207 nan 8.280 nan 0.000 0.527 360 L N -0.348 120.499 121.223 -0.625 0.000 2.023 360 L HA -0.117 4.222 4.340 -0.001 0.000 0.205 360 L C 2.826 179.453 176.870 -0.406 0.000 1.073 360 L CA 1.089 55.505 54.840 -0.706 0.000 0.745 360 L CB -1.090 40.504 42.059 -0.775 0.000 0.900 360 L HN 0.291 nan 8.230 nan 0.000 0.435 361 A N 0.319 122.967 122.820 -0.287 0.000 1.986 361 A HA -0.271 4.049 4.320 -0.001 0.000 0.220 361 A C 2.511 179.989 177.584 -0.176 0.000 1.171 361 A CA 2.253 54.183 52.037 -0.178 0.000 0.640 361 A CB -0.749 18.171 19.000 -0.133 0.000 0.811 361 A HN 0.569 nan 8.150 nan 0.000 0.451 362 S N -0.174 115.394 115.700 -0.220 0.000 2.402 362 S HA -0.070 4.399 4.470 -0.001 0.000 0.229 362 S C 1.867 176.338 174.600 -0.214 0.000 1.021 362 S CA 1.351 59.443 58.200 -0.181 0.000 0.974 362 S CB -0.677 62.440 63.200 -0.138 0.000 0.800 362 S HN 0.477 nan 8.310 nan 0.000 0.484 363 L N 1.089 122.101 121.223 -0.351 0.000 2.056 363 L HA 0.011 4.350 4.340 -0.001 0.000 0.207 363 L C 2.838 179.624 176.870 -0.140 0.000 1.078 363 L CA 1.562 56.209 54.840 -0.322 0.000 0.749 363 L CB -0.656 40.979 42.059 -0.707 0.000 0.901 363 L HN 0.348 nan 8.230 nan 0.000 0.433 364 E N -0.029 120.089 120.200 -0.137 0.000 2.338 364 E HA -0.182 4.167 4.350 -0.001 0.000 0.197 364 E C 0.835 177.387 176.600 -0.081 0.000 1.007 364 E CA 0.836 57.183 56.400 -0.089 0.000 0.849 364 E CB 0.046 29.704 29.700 -0.069 0.000 0.774 364 E HN 0.458 nan 8.360 nan 0.000 0.506 365 D N 0.207 120.558 120.400 -0.082 0.000 2.369 365 D HA 0.043 4.683 4.640 -0.001 0.000 0.211 365 D C -0.142 176.127 176.300 -0.053 0.000 1.077 365 D CA 0.106 54.066 54.000 -0.066 0.000 0.842 365 D CB 0.294 41.054 40.800 -0.066 0.000 0.947 365 D HN 0.014 nan 8.370 nan 0.000 0.509 366 K N 0.940 121.311 120.400 -0.049 0.000 2.559 366 K HA -0.030 4.290 4.320 -0.001 0.000 0.279 366 K C 1.102 177.683 176.600 -0.033 0.000 0.967 366 K CA 0.489 56.756 56.287 -0.033 0.000 1.000 366 K CB 0.839 33.327 32.500 -0.019 0.000 0.890 366 K HN -0.021 nan 8.250 nan 0.000 0.501 367 Q N 1.507 121.291 119.800 -0.026 0.000 2.316 367 Q HA 0.130 4.469 4.340 -0.001 0.000 0.235 367 Q C -0.236 175.753 176.000 -0.019 0.000 0.863 367 Q CA 0.743 56.531 55.803 -0.025 0.000 0.939 367 Q CB 1.103 29.828 28.738 -0.021 0.000 1.108 367 Q HN 0.616 nan 8.270 nan 0.000 0.522 368 E N -1.377 118.813 120.200 -0.016 0.000 2.423 368 E HA 0.565 4.914 4.350 -0.001 0.000 0.280 368 E C -0.707 175.887 176.600 -0.010 0.000 1.030 368 E CA -0.225 56.168 56.400 -0.012 0.000 0.812 368 E CB 2.285 31.979 29.700 -0.009 0.000 1.313 368 E HN 0.134 nan 8.360 nan 0.000 0.456 369 G N 0.881 109.676 108.800 -0.008 0.000 2.409 369 G HA2 -0.093 3.867 3.960 -0.001 0.000 0.421 369 G HA3 -0.093 3.867 3.960 -0.001 0.000 0.421 369 G C -2.950 171.944 174.900 -0.009 0.000 1.259 369 G CA -1.214 43.882 45.100 -0.007 0.000 1.011 369 G HN 0.355 nan 8.290 nan 0.000 0.497 370 P HA 0.400 nan 4.420 nan 0.000 0.263 370 P C 0.183 177.470 177.300 -0.021 0.000 1.195 370 P CA -0.332 62.760 63.100 -0.014 0.000 0.762 370 P CB 0.681 32.373 31.700 -0.014 0.000 0.799 371 L N 4.393 125.600 121.223 -0.028 0.000 2.456 371 L HA 0.131 4.471 4.340 -0.001 0.000 0.272 371 L C 0.068 176.896 176.870 -0.069 0.000 1.189 371 L CA 0.887 55.702 54.840 -0.043 0.000 0.846 371 L CB -0.145 41.890 42.059 -0.040 0.000 1.111 371 L HN 0.404 nan 8.230 nan 0.000 0.475 372 Q N 2.553 122.289 119.800 -0.107 0.000 2.484 372 Q HA 0.578 4.917 4.340 -0.001 0.000 0.285 372 Q C 0.666 176.500 176.000 -0.277 0.000 1.097 372 Q CA -0.301 55.367 55.803 -0.225 0.000 0.802 372 Q CB 1.726 30.300 28.738 -0.272 0.000 1.444 372 Q HN 0.787 nan 8.270 nan 0.000 0.429 373 A N 0.333 122.916 122.820 -0.394 0.000 1.940 373 A HA -0.222 4.098 4.320 -0.001 0.000 0.219 373 A C 1.375 178.818 177.584 -0.235 0.000 1.176 373 A CA 1.703 53.652 52.037 -0.146 0.000 0.631 373 A CB -0.770 18.152 19.000 -0.129 0.000 0.814 373 A HN 0.764 nan 8.150 nan 0.000 0.446 374 Y N 0.183 120.364 120.300 -0.199 0.000 2.102 374 Y HA -0.282 4.267 4.550 -0.001 0.000 0.280 374 Y C 2.563 178.254 175.900 -0.349 0.000 1.178 374 Y CA 1.731 59.537 58.100 -0.490 0.000 1.146 374 Y CB -1.237 36.984 38.460 -0.398 0.000 0.968 374 Y HN 0.387 nan 8.280 nan 0.000 0.504 375 Q N -0.357 119.390 119.800 -0.089 0.000 2.230 375 Q HA -0.050 4.290 4.340 -0.001 0.000 0.202 375 Q C 2.355 178.247 176.000 -0.180 0.000 0.963 375 Q CA 1.181 56.915 55.803 -0.116 0.000 0.866 375 Q CB -0.452 28.236 28.738 -0.083 0.000 0.931 375 Q HN 0.364 nan 8.270 nan 0.000 0.452 376 V N 0.394 120.213 119.914 -0.158 0.000 2.358 376 V HA -0.224 3.896 4.120 -0.001 0.000 0.246 376 V C 2.013 177.977 176.094 -0.216 0.000 1.047 376 V CA 1.462 63.639 62.300 -0.205 0.000 1.035 376 V CB -0.493 31.216 31.823 -0.190 0.000 0.658 376 V HN 0.327 nan 8.190 nan 0.000 0.452 377 L N -0.319 120.858 121.223 -0.076 0.000 2.046 377 L HA -0.144 4.196 4.340 -0.001 0.000 0.208 377 L C 2.801 179.578 176.870 -0.155 0.000 1.077 377 L CA 1.490 56.290 54.840 -0.066 0.000 0.747 377 L CB -0.669 41.372 42.059 -0.029 0.000 0.896 377 L HN 0.262 nan 8.230 nan 0.000 0.432 378 R N 0.852 121.247 120.500 -0.174 0.000 2.094 378 R HA -0.234 4.106 4.340 -0.001 0.000 0.239 378 R C 2.196 178.343 176.300 -0.254 0.000 1.137 378 R CA 2.049 58.048 56.100 -0.169 0.000 0.943 378 R CB -0.462 29.751 30.300 -0.145 0.000 0.850 378 R HN 0.356 nan 8.270 nan 0.000 0.433 379 A N 0.334 122.907 122.820 -0.411 0.000 1.940 379 A HA -0.100 4.219 4.320 -0.001 0.000 0.219 379 A C 2.465 179.642 177.584 -0.679 0.000 1.176 379 A CA 1.647 53.289 52.037 -0.657 0.000 0.631 379 A CB -0.528 17.788 19.000 -1.139 0.000 0.814 379 A HN 0.246 nan 8.150 nan 0.000 0.446 380 V N 0.846 120.418 119.914 -0.569 0.000 2.295 380 V HA -0.265 3.854 4.120 -0.001 0.000 0.246 380 V C 2.340 178.329 176.094 -0.176 0.000 1.049 380 V CA 2.133 64.268 62.300 -0.275 0.000 1.024 380 V CB -0.956 30.722 31.823 -0.242 0.000 0.648 380 V HN 0.553 nan 8.190 nan 0.000 0.447 381 N N 0.452 119.056 118.700 -0.160 0.000 2.094 381 N HA -0.170 4.569 4.740 -0.001 0.000 0.191 381 N C 1.738 177.225 175.510 -0.038 0.000 1.023 381 N CA 1.237 54.237 53.050 -0.082 0.000 0.857 381 N CB -0.335 38.103 38.487 -0.083 0.000 1.013 381 N HN 0.405 nan 8.380 nan 0.000 0.426 382 K N 0.785 121.145 120.400 -0.068 0.000 2.283 382 K HA -0.031 4.288 4.320 -0.001 0.000 0.202 382 K C 1.830 178.448 176.600 0.031 0.000 1.048 382 K CA 0.606 56.875 56.287 -0.029 0.000 0.948 382 K CB -0.070 32.396 32.500 -0.057 0.000 0.742 382 K HN 0.514 nan 8.250 nan 0.000 0.458 383 I N -3.198 117.422 120.570 0.085 0.000 4.139 383 I HA 0.275 4.444 4.170 -0.001 0.000 0.335 383 I C 0.589 176.852 176.117 0.243 0.000 1.327 383 I CA -0.468 60.935 61.300 0.172 0.000 1.112 383 I CB 0.342 38.496 38.000 0.258 0.000 1.058 383 I HN -0.249 nan 8.210 nan 0.000 0.396 384 A N 2.045 125.007 122.820 0.237 0.000 2.488 384 A HA 0.280 4.599 4.320 -0.001 0.000 0.249 384 A C 0.215 177.912 177.584 0.189 0.000 1.083 384 A CA -0.008 52.209 52.037 0.301 0.000 0.768 384 A CB -0.076 19.058 19.000 0.223 0.000 1.017 384 A HN 0.518 nan 8.150 nan 0.000 0.496 385 E N 2.979 123.281 120.200 0.170 0.000 2.345 385 E HA 0.196 4.545 4.350 -0.001 0.000 0.259 385 E C -1.382 175.276 176.600 0.097 0.000 1.117 385 E CA -1.616 54.842 56.400 0.097 0.000 0.913 385 E CB 0.527 30.260 29.700 0.056 0.000 1.057 385 E HN 0.517 nan 8.360 nan 0.000 0.432 386 P HA -0.112 nan 4.420 nan 0.000 0.222 386 P C 0.229 177.566 177.300 0.062 0.000 1.153 386 P CA 1.138 64.277 63.100 0.064 0.000 0.798 386 P CB 0.142 31.866 31.700 0.040 0.000 0.796 387 D N -0.637 119.786 120.400 0.039 0.000 2.427 387 D HA 0.218 4.858 4.640 -0.001 0.000 0.224 387 D C 0.365 176.664 176.300 -0.001 0.000 1.157 387 D CA -0.747 53.262 54.000 0.014 0.000 0.828 387 D CB -0.667 40.125 40.800 -0.014 0.000 0.974 387 D HN 0.003 nan 8.370 nan 0.000 0.498 388 A N 0.638 123.477 122.820 0.032 0.000 2.520 388 A HA 0.342 4.661 4.320 -0.001 0.000 0.235 388 A C 0.338 177.882 177.584 -0.067 0.000 1.065 388 A CA -0.050 51.962 52.037 -0.041 0.000 0.764 388 A CB 0.075 19.049 19.000 -0.044 0.000 1.002 388 A HN 0.403 nan 8.150 nan 0.000 0.502 389 I N 1.550 122.045 120.570 -0.124 0.000 2.377 389 I HA 0.300 4.470 4.170 -0.001 0.000 0.293 389 I C -1.223 174.860 176.117 -0.055 0.000 0.987 389 I CA -0.338 60.955 61.300 -0.012 0.000 1.185 389 I CB 1.212 39.217 38.000 0.008 0.000 1.341 389 I HN 0.576 nan 8.210 nan 0.000 0.455 390 Y N 4.023 124.455 120.300 0.220 0.000 2.356 390 Y HA 0.299 4.848 4.550 -0.001 0.000 0.334 390 Y C 0.570 176.597 175.900 0.211 0.000 0.958 390 Y CA -0.645 57.599 58.100 0.241 0.000 1.196 390 Y CB 1.697 40.264 38.460 0.178 0.000 1.137 390 Y HN 0.441 nan 8.280 nan 0.000 0.485 391 S N 4.980 120.860 115.700 0.300 0.000 2.465 391 S HA 0.639 5.109 4.470 -0.001 0.000 0.279 391 S C -0.592 174.147 174.600 0.232 0.000 1.201 391 S CA -0.358 57.979 58.200 0.229 0.000 1.053 391 S CB -0.296 62.999 63.200 0.158 0.000 0.953 391 S HN 0.562 nan 8.310 nan 0.000 0.488 392 I N 4.280 124.976 120.570 0.211 0.000 2.465 392 I HA 0.361 4.531 4.170 -0.001 0.000 0.291 392 I C 0.537 176.722 176.117 0.113 0.000 1.014 392 I CA -0.786 60.620 61.300 0.177 0.000 1.093 392 I CB 1.768 39.895 38.000 0.211 0.000 1.267 392 I HN 0.595 nan 8.210 nan 0.000 0.431 393 D N 3.734 124.174 120.400 0.067 0.000 2.403 393 D HA 0.384 5.023 4.640 -0.001 0.000 0.278 393 D C -0.856 175.432 176.300 -0.020 0.000 1.230 393 D CA -0.038 53.975 54.000 0.021 0.000 1.062 393 D CB 1.624 42.433 40.800 0.014 0.000 1.119 393 D HN 0.096 nan 8.370 nan 0.000 0.557 394 V N -0.536 119.341 119.914 -0.062 0.000 2.555 394 V HA 0.693 4.812 4.120 -0.001 0.000 0.302 394 V C 0.719 176.724 176.094 -0.148 0.000 1.038 394 V CA 0.271 62.489 62.300 -0.136 0.000 0.887 394 V CB 0.909 32.630 31.823 -0.171 0.000 0.991 394 V HN 0.911 nan 8.190 nan 0.000 0.434 395 G N 3.513 112.172 108.800 -0.235 0.000 2.278 395 G HA2 -0.012 3.948 3.960 -0.001 0.000 0.265 395 G HA3 -0.012 3.948 3.960 -0.001 0.000 0.265 395 G C -0.092 174.777 174.900 -0.052 0.000 1.329 395 G CA -0.018 44.970 45.100 -0.185 0.000 1.017 395 G HN 0.463 nan 8.290 nan 0.000 0.472 396 D N -0.545 119.966 120.400 0.185 0.000 2.239 396 D HA -0.119 4.520 4.640 -0.001 0.000 0.202 396 D C 2.361 178.695 176.300 0.058 0.000 0.993 396 D CA 1.426 55.565 54.000 0.233 0.000 0.874 396 D CB -0.011 40.874 40.800 0.141 0.000 0.922 396 D HN 0.363 nan 8.370 nan 0.000 0.464 397 I N 1.106 121.629 120.570 -0.079 0.000 2.361 397 I HA -0.268 3.901 4.170 -0.001 0.000 0.251 397 I C 1.363 177.457 176.117 -0.038 0.000 1.133 397 I CA 1.388 62.569 61.300 -0.198 0.000 1.413 397 I CB -0.288 37.522 38.000 -0.316 0.000 1.073 397 I HN -0.026 nan 8.210 nan 0.000 0.424 398 N N 0.273 118.993 118.700 0.032 0.000 2.084 398 N HA -0.220 4.520 4.740 -0.001 0.000 0.190 398 N C 1.911 177.601 175.510 0.301 0.000 1.030 398 N CA 1.752 54.918 53.050 0.194 0.000 0.849 398 N CB -0.430 38.047 38.487 -0.017 0.000 1.012 398 N HN 0.430 nan 8.380 nan 0.000 0.423 399 L N 1.158 122.517 121.223 0.227 0.000 1.970 399 L HA -0.228 4.112 4.340 -0.001 0.000 0.212 399 L C 1.732 178.726 176.870 0.207 0.000 1.071 399 L CA 1.538 56.527 54.840 0.248 0.000 0.751 399 L CB -0.362 41.863 42.059 0.276 0.000 0.889 399 L HN 0.215 nan 8.230 nan 0.000 0.432 400 N N 0.330 119.134 118.700 0.173 0.000 2.069 400 N HA -0.194 4.546 4.740 -0.001 0.000 0.191 400 N C 1.762 177.394 175.510 0.203 0.000 1.031 400 N CA 1.724 54.910 53.050 0.226 0.000 0.852 400 N CB -0.522 38.034 38.487 0.115 0.000 1.018 400 N HN 0.559 nan 8.380 nan 0.000 0.423 401 A N 0.890 123.743 122.820 0.055 0.000 2.015 401 A HA -0.111 4.208 4.320 -0.001 0.000 0.219 401 A C 2.114 179.647 177.584 -0.085 0.000 1.163 401 A CA 1.351 53.372 52.037 -0.027 0.000 0.646 401 A CB -0.617 18.334 19.000 -0.083 0.000 0.806 401 A HN 0.311 nan 8.150 nan 0.000 0.448 402 N N -0.141 118.539 118.700 -0.033 0.000 2.120 402 N HA -0.144 4.595 4.740 -0.001 0.000 0.188 402 N C 1.842 177.323 175.510 -0.048 0.000 1.024 402 N CA 1.723 54.712 53.050 -0.103 0.000 0.852 402 N CB -0.236 38.261 38.487 0.015 0.000 1.003 402 N HN 0.517 nan 8.380 nan 0.000 0.424 403 R N -1.352 119.138 120.500 -0.017 0.000 2.073 403 R HA 0.036 4.376 4.340 -0.001 0.000 0.229 403 R C 1.720 177.823 176.300 -0.328 0.000 1.120 403 R CA 1.218 57.228 56.100 -0.150 0.000 0.967 403 R CB -0.191 29.944 30.300 -0.276 0.000 0.862 403 R HN 0.481 nan 8.270 nan 0.000 0.436 404 H N -0.308 118.719 119.070 -0.072 0.000 2.516 404 H HA 0.174 4.729 4.556 -0.001 0.000 0.284 404 H C 0.615 175.858 175.328 -0.141 0.000 0.999 404 H CA 0.043 56.029 56.048 -0.105 0.000 1.303 404 H CB 0.315 30.036 29.762 -0.068 0.000 1.452 404 H HN 0.024 nan 8.280 nan 0.000 0.530 405 L N 2.418 123.582 121.223 -0.097 0.000 2.490 405 L HA 0.021 4.361 4.340 -0.001 0.000 0.274 405 L C 0.242 176.992 176.870 -0.200 0.000 1.201 405 L CA 0.501 55.200 54.840 -0.234 0.000 0.869 405 L CB 0.479 42.260 42.059 -0.465 0.000 1.123 405 L HN -0.066 nan 8.230 nan 0.000 0.484 406 K N 5.609 125.908 120.400 -0.169 0.000 2.354 406 K HA 0.509 4.828 4.320 -0.001 0.000 0.257 406 K C -0.905 175.631 176.600 -0.108 0.000 1.062 406 K CA -0.257 55.962 56.287 -0.113 0.000 0.971 406 K CB 0.913 33.373 32.500 -0.066 0.000 1.305 406 K HN 0.417 nan 8.250 nan 0.000 0.449 407 L N 1.309 122.453 121.223 -0.131 0.000 2.332 407 L HA 0.576 4.915 4.340 -0.001 0.000 0.269 407 L C 0.615 177.452 176.870 -0.055 0.000 1.016 407 L CA -0.840 53.947 54.840 -0.088 0.000 0.809 407 L CB 1.775 43.753 42.059 -0.136 0.000 1.280 407 L HN 0.589 nan 8.230 nan 0.000 0.447 408 T N -3.482 111.066 114.554 -0.009 0.000 2.838 408 T HA 0.432 4.781 4.350 -0.001 0.000 0.292 408 T C -2.443 172.261 174.700 0.006 0.000 1.113 408 T CA -1.834 60.258 62.100 -0.013 0.000 1.008 408 T CB 1.846 70.714 68.868 -0.000 0.000 1.259 408 T HN 0.227 nan 8.240 nan 0.000 0.520 409 P HA -0.007 nan 4.420 nan 0.000 0.222 409 P C 1.331 178.641 177.300 0.017 0.000 1.142 409 P CA 0.896 64.000 63.100 0.006 0.000 0.788 409 P CB -0.047 31.645 31.700 -0.012 0.000 0.767 410 S N -1.722 113.989 115.700 0.018 0.000 2.496 410 S HA 0.020 4.489 4.470 -0.001 0.000 0.224 410 S C 0.850 175.465 174.600 0.026 0.000 0.996 410 S CA 0.313 58.523 58.200 0.015 0.000 0.927 410 S CB -0.735 62.474 63.200 0.015 0.000 0.774 410 S HN 0.322 nan 8.310 nan 0.000 0.524 411 N N 1.158 119.899 118.700 0.069 0.000 2.381 411 N HA 0.316 5.055 4.740 -0.001 0.000 0.254 411 N C 0.016 175.595 175.510 0.114 0.000 1.264 411 N CA -0.045 53.082 53.050 0.128 0.000 0.942 411 N CB 0.459 39.078 38.487 0.220 0.000 1.190 411 N HN -0.022 nan 8.380 nan 0.000 0.495 412 R N 0.184 120.776 120.500 0.154 0.000 2.771 412 R HA 0.411 4.750 4.340 -0.001 0.000 0.274 412 R C -1.244 175.234 176.300 0.297 0.000 0.987 412 R CA -0.849 55.335 56.100 0.139 0.000 0.908 412 R CB 1.275 31.591 30.300 0.027 0.000 1.213 412 R HN 0.954 nan 8.270 nan 0.000 0.468 413 H N -0.833 118.329 119.070 0.154 0.000 2.974 413 H HA 0.728 5.284 4.556 -0.001 0.000 0.366 413 H C -0.606 174.820 175.328 0.162 0.000 1.155 413 H CA -0.993 55.168 56.048 0.188 0.000 1.186 413 H CB 1.406 31.249 29.762 0.135 0.000 1.799 413 H HN 0.567 nan 8.280 nan 0.000 0.541 414 I N 0.014 120.684 120.570 0.168 0.000 2.730 414 I HA 0.871 5.040 4.170 -0.001 0.000 0.298 414 I C -0.788 175.441 176.117 0.186 0.000 1.089 414 I CA -0.767 60.602 61.300 0.115 0.000 1.041 414 I CB 2.511 40.573 38.000 0.103 0.000 1.235 414 I HN 0.847 nan 8.210 nan 0.000 0.423 415 T N 1.470 116.121 114.554 0.162 0.000 2.653 415 T HA 0.351 4.700 4.350 -0.001 0.000 0.306 415 T C -1.384 173.370 174.700 0.091 0.000 1.426 415 T CA -0.439 61.745 62.100 0.140 0.000 1.008 415 T CB 1.737 70.718 68.868 0.187 0.000 1.692 415 T HN 0.778 nan 8.240 nan 0.000 0.483 416 S N 1.539 117.269 115.700 0.049 0.000 2.415 416 S HA 0.357 4.826 4.470 -0.001 0.000 0.313 416 S C 0.804 175.405 174.600 0.002 0.000 1.067 416 S CA -0.633 57.592 58.200 0.041 0.000 1.099 416 S CB -0.439 62.783 63.200 0.038 0.000 0.991 416 S HN 0.535 nan 8.310 nan 0.000 0.491 417 N N 4.252 122.970 118.700 0.031 0.000 2.176 417 N HA 0.011 4.750 4.740 -0.001 0.000 0.187 417 N C 1.136 176.643 175.510 -0.004 0.000 1.043 417 N CA 0.909 53.957 53.050 -0.003 0.000 0.851 417 N CB -0.203 38.323 38.487 0.065 0.000 1.018 417 N HN 0.416 nan 8.380 nan 0.000 0.436 418 L N -0.021 121.235 121.223 0.054 0.000 2.189 418 L HA 0.128 4.467 4.340 -0.001 0.000 0.199 418 L C 2.046 178.986 176.870 0.116 0.000 1.074 418 L CA 0.837 55.718 54.840 0.070 0.000 0.783 418 L CB -1.412 40.696 42.059 0.082 0.000 0.955 418 L HN 0.018 nan 8.230 nan 0.000 0.460 419 F N 1.545 121.476 119.950 -0.031 0.000 2.171 419 F HA 0.028 4.554 4.527 -0.002 0.000 0.300 419 F C 1.579 177.343 175.800 -0.060 0.000 1.090 419 F CA 0.527 58.508 58.000 -0.033 0.000 1.293 419 F CB -0.283 38.717 39.000 -0.001 0.000 1.013 419 F HN 0.226 nan 8.300 nan 0.000 0.486 420 A N 0.820 123.617 122.820 -0.039 0.000 2.610 420 A HA -0.241 4.078 4.320 -0.001 0.000 0.299 420 A C 0.741 178.166 177.584 -0.265 0.000 1.487 420 A CA 0.926 52.866 52.037 -0.162 0.000 0.743 420 A CB -2.598 16.281 19.000 -0.201 0.000 1.070 420 A HN 0.484 nan 8.150 nan 0.000 0.439 421 T N 0.741 115.166 114.554 -0.215 0.000 2.814 421 T HA 0.526 4.875 4.350 -0.001 0.000 0.297 421 T C 0.732 175.354 174.700 -0.129 0.000 0.956 421 T CA -0.047 61.916 62.100 -0.227 0.000 1.123 421 T CB -0.080 68.742 68.868 -0.077 0.000 0.902 421 T HN 0.468 nan 8.240 nan 0.000 0.528 422 M N 3.768 123.282 119.600 -0.144 0.000 2.240 422 M HA 0.338 4.818 4.480 -0.001 0.000 0.317 422 M C 1.683 177.945 176.300 -0.064 0.000 1.087 422 M CA 1.331 56.576 55.300 -0.092 0.000 1.176 422 M CB 0.324 32.871 32.600 -0.088 0.000 1.439 422 M HN 1.004 nan 8.290 nan 0.000 0.452 423 G N -0.203 108.573 108.800 -0.040 0.000 2.194 423 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.236 423 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.236 423 G C 0.431 175.312 174.900 -0.031 0.000 0.987 423 G CA 0.259 45.335 45.100 -0.041 0.000 0.635 423 G HN 0.810 nan 8.290 nan 0.000 0.520 424 V N -0.380 119.525 119.914 -0.016 0.000 3.217 424 V HA 0.385 4.504 4.120 -0.001 0.000 0.264 424 V C 2.576 178.681 176.094 0.018 0.000 1.135 424 V CA 1.894 64.193 62.300 -0.001 0.000 1.142 424 V CB -0.899 30.934 31.823 0.017 0.000 0.754 424 V HN 0.862 nan 8.190 nan 0.000 0.484 425 G N 1.260 110.077 108.800 0.028 0.000 2.514 425 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.217 425 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.217 425 G C 1.480 176.408 174.900 0.048 0.000 1.198 425 G CA 1.525 46.659 45.100 0.057 0.000 0.780 425 G HN 0.514 nan 8.290 nan 0.000 0.565 426 I N 1.899 122.483 120.570 0.024 0.000 2.099 426 I HA -0.134 4.035 4.170 -0.001 0.000 0.239 426 I C 0.019 176.138 176.117 0.004 0.000 1.066 426 I CA 1.467 62.777 61.300 0.017 0.000 1.324 426 I CB -0.748 37.258 38.000 0.010 0.000 1.037 426 I HN 0.207 nan 8.210 nan 0.000 0.401 427 P HA -0.100 nan 4.420 nan 0.000 0.219 427 P C 1.609 178.884 177.300 -0.040 0.000 1.150 427 P CA 1.790 64.850 63.100 -0.066 0.000 0.814 427 P CB -0.306 31.324 31.700 -0.116 0.000 0.787 428 G N 0.687 109.489 108.800 0.003 0.000 2.440 428 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.218 428 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.218 428 G C 1.771 176.712 174.900 0.068 0.000 1.154 428 G CA 1.118 46.245 45.100 0.045 0.000 0.767 428 G HN 0.353 nan 8.290 nan 0.000 0.552 429 A N 0.721 123.580 122.820 0.065 0.000 1.898 429 A HA 0.080 4.400 4.320 -0.001 0.000 0.216 429 A C 2.404 180.019 177.584 0.051 0.000 1.181 429 A CA 1.212 53.290 52.037 0.067 0.000 0.620 429 A CB -0.351 18.686 19.000 0.062 0.000 0.819 429 A HN 0.370 nan 8.150 nan 0.000 0.442 430 I N -0.140 120.451 120.570 0.036 0.000 2.118 430 I HA -0.344 3.825 4.170 -0.001 0.000 0.241 430 I C 3.001 179.146 176.117 0.048 0.000 1.070 430 I CA 1.319 62.639 61.300 0.034 0.000 1.327 430 I CB -0.406 37.611 38.000 0.029 0.000 1.034 430 I HN 0.377 nan 8.210 nan 0.000 0.405 431 A N 0.624 123.489 122.820 0.075 0.000 1.902 431 A HA -0.158 4.162 4.320 -0.001 0.000 0.217 431 A C 2.554 180.214 177.584 0.126 0.000 1.181 431 A CA 1.831 53.956 52.037 0.148 0.000 0.623 431 A CB -0.864 18.231 19.000 0.158 0.000 0.818 431 A HN 0.453 nan 8.150 nan 0.000 0.443 432 A N -0.228 122.674 122.820 0.136 0.000 1.865 432 A HA -0.219 4.100 4.320 -0.001 0.000 0.217 432 A C 2.097 179.787 177.584 0.177 0.000 1.191 432 A CA 2.462 54.621 52.037 0.205 0.000 0.623 432 A CB -0.446 18.659 19.000 0.175 0.000 0.826 432 A HN 0.406 nan 8.150 nan 0.000 0.444 433 K N -0.290 120.161 120.400 0.084 0.000 2.148 433 K HA 0.104 4.423 4.320 -0.001 0.000 0.204 433 K C 1.707 178.299 176.600 -0.013 0.000 1.050 433 K CA 0.940 57.254 56.287 0.046 0.000 0.942 433 K CB -0.447 32.063 32.500 0.017 0.000 0.724 433 K HN 0.502 nan 8.250 nan 0.000 0.446 434 L N 0.418 121.592 121.223 -0.082 0.000 2.156 434 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 434 L C 1.717 178.461 176.870 -0.211 0.000 1.095 434 L CA 0.895 55.591 54.840 -0.240 0.000 0.770 434 L CB -0.278 41.468 42.059 -0.523 0.000 0.914 434 L HN 0.259 nan 8.230 nan 0.000 0.439 435 N N -0.836 117.766 118.700 -0.162 0.000 2.368 435 N HA -0.053 4.686 4.740 -0.001 0.000 0.176 435 N C -0.129 175.011 175.510 -0.616 0.000 1.021 435 N CA 0.891 53.722 53.050 -0.364 0.000 0.888 435 N CB 0.351 38.538 38.487 -0.499 0.000 0.995 435 N HN 0.252 nan 8.380 nan 0.000 0.437 436 Y N 0.442 120.761 120.300 0.031 0.000 2.562 436 Y HA 0.349 4.898 4.550 -0.001 0.000 0.363 436 Y C -1.751 174.147 175.900 -0.003 0.000 0.991 436 Y CA -2.055 56.056 58.100 0.019 0.000 1.121 436 Y CB 1.167 39.642 38.460 0.025 0.000 1.159 436 Y HN -0.000 nan 8.280 nan 0.000 0.651 437 P HA -0.160 nan 4.420 nan 0.000 0.220 437 P C 0.506 177.828 177.300 0.037 0.000 1.148 437 P CA 1.477 64.597 63.100 0.032 0.000 0.803 437 P CB 0.502 32.202 31.700 -0.001 0.000 0.782 438 E N -0.955 119.283 120.200 0.062 0.000 2.489 438 E HA 0.056 4.405 4.350 -0.001 0.000 0.193 438 E C 0.630 177.248 176.600 0.030 0.000 1.057 438 E CA 0.012 56.435 56.400 0.039 0.000 0.866 438 E CB 0.105 29.830 29.700 0.042 0.000 0.916 438 E HN 0.317 nan 8.360 nan 0.000 0.500 439 R N 1.047 121.576 120.500 0.049 0.000 2.668 439 R HA 0.259 4.598 4.340 -0.001 0.000 0.279 439 R C -0.076 176.202 176.300 -0.036 0.000 0.976 439 R CA -0.603 55.500 56.100 0.004 0.000 0.978 439 R CB 1.348 31.640 30.300 -0.013 0.000 1.133 439 R HN 0.048 nan 8.270 nan 0.000 0.484 440 Q N 1.461 121.216 119.800 -0.076 0.000 2.364 440 Q HA 0.203 4.542 4.340 -0.001 0.000 0.267 440 Q C -1.121 174.760 176.000 -0.198 0.000 0.999 440 Q CA 0.134 55.842 55.803 -0.158 0.000 0.886 440 Q CB 0.979 29.628 28.738 -0.149 0.000 1.243 440 Q HN 0.302 nan 8.270 nan 0.000 0.415 441 V N 5.282 125.020 119.914 -0.294 0.000 2.524 441 V HA 0.386 4.505 4.120 -0.001 0.000 0.297 441 V C -1.066 174.827 176.094 -0.335 0.000 1.035 441 V CA -0.608 61.569 62.300 -0.204 0.000 0.867 441 V CB 1.174 32.958 31.823 -0.066 0.000 1.004 441 V HN 0.637 nan 8.190 nan 0.000 0.426 442 F N 3.003 122.873 119.950 -0.135 0.000 2.422 442 F HA 0.558 5.085 4.527 -0.001 0.000 0.333 442 F C 0.428 176.270 175.800 0.070 0.000 1.095 442 F CA -0.450 57.539 58.000 -0.020 0.000 1.038 442 F CB 1.669 40.669 39.000 0.000 0.000 1.156 442 F HN 0.524 nan 8.300 nan 0.000 0.483 443 N N 3.682 122.554 118.700 0.288 0.000 2.479 443 N HA 0.406 5.146 4.740 -0.001 0.000 0.261 443 N C -1.847 173.830 175.510 0.279 0.000 0.979 443 N CA -0.370 52.817 53.050 0.228 0.000 0.930 443 N CB 0.630 39.195 38.487 0.130 0.000 1.172 443 N HN 0.564 nan 8.380 nan 0.000 0.499 444 L N 2.403 123.799 121.223 0.287 0.000 2.280 444 L HA 0.842 5.181 4.340 -0.001 0.000 0.287 444 L C -0.184 176.802 176.870 0.193 0.000 1.023 444 L CA -0.930 54.099 54.840 0.314 0.000 0.819 444 L CB 1.247 43.482 42.059 0.293 0.000 1.212 444 L HN 0.618 nan 8.230 nan 0.000 0.420 445 A N 2.254 125.209 122.820 0.224 0.000 2.486 445 A HA 0.814 5.133 4.320 -0.001 0.000 0.300 445 A C -0.025 177.646 177.584 0.145 0.000 1.048 445 A CA -0.351 51.749 52.037 0.104 0.000 0.696 445 A CB 1.592 20.611 19.000 0.032 0.000 1.278 445 A HN 0.699 nan 8.150 nan 0.000 0.405 446 G N 0.207 109.047 108.800 0.067 0.000 2.634 446 G HA2 0.379 4.338 3.960 -0.001 0.000 0.255 446 G HA3 0.379 4.338 3.960 -0.001 0.000 0.255 446 G C 0.412 175.356 174.900 0.073 0.000 1.205 446 G CA 0.405 45.573 45.100 0.113 0.000 0.884 446 G HN 0.814 nan 8.290 nan 0.000 0.549 447 D N -0.295 120.179 120.400 0.124 0.000 2.144 447 D HA -0.086 4.553 4.640 -0.001 0.000 0.200 447 D C 2.245 178.668 176.300 0.205 0.000 0.978 447 D CA 1.363 55.449 54.000 0.144 0.000 0.833 447 D CB -1.014 39.974 40.800 0.313 0.000 0.961 447 D HN 0.477 nan 8.370 nan 0.000 0.470 448 G N 0.482 109.444 108.800 0.270 0.000 2.446 448 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.217 448 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.217 448 G C 1.725 176.755 174.900 0.217 0.000 1.168 448 G CA 1.079 46.374 45.100 0.327 0.000 0.771 448 G HN 0.500 nan 8.290 nan 0.000 0.551 449 G N 0.804 109.689 108.800 0.143 0.000 2.394 449 G HA2 0.150 4.109 3.960 -0.001 0.000 0.215 449 G HA3 0.150 4.109 3.960 -0.001 0.000 0.215 449 G C 2.053 176.969 174.900 0.027 0.000 1.165 449 G CA 1.370 46.505 45.100 0.058 0.000 0.784 449 G HN 0.626 nan 8.290 nan 0.000 0.535 450 A N 1.035 123.848 122.820 -0.013 0.000 1.902 450 A HA -0.008 4.311 4.320 -0.001 0.000 0.217 450 A C 2.665 180.331 177.584 0.136 0.000 1.181 450 A CA 2.225 54.219 52.037 -0.073 0.000 0.623 450 A CB -0.675 18.059 19.000 -0.443 0.000 0.818 450 A HN 0.291 nan 8.150 nan 0.000 0.443 451 S N -0.381 115.486 115.700 0.279 0.000 2.387 451 S HA -0.218 4.251 4.470 -0.001 0.000 0.230 451 S C 1.955 176.618 174.600 0.104 0.000 1.035 451 S CA 1.899 60.264 58.200 0.274 0.000 1.014 451 S CB -0.416 62.869 63.200 0.142 0.000 0.836 451 S HN 0.604 nan 8.310 nan 0.000 0.466 452 M N 0.754 120.383 119.600 0.050 0.000 2.175 452 M HA -0.062 4.418 4.480 -0.001 0.000 0.264 452 M C 1.509 177.766 176.300 -0.072 0.000 1.063 452 M CA 1.323 56.607 55.300 -0.026 0.000 1.119 452 M CB -0.419 32.153 32.600 -0.047 0.000 1.377 452 M HN 0.393 nan 8.290 nan 0.000 0.415 453 T N -2.961 111.571 114.554 -0.036 0.000 3.296 453 T HA 0.290 4.639 4.350 -0.001 0.000 0.285 453 T C 1.115 175.825 174.700 0.016 0.000 1.014 453 T CA -0.435 61.632 62.100 -0.056 0.000 0.920 453 T CB -0.421 68.404 68.868 -0.072 0.000 1.143 453 T HN 0.398 nan 8.240 nan 0.000 0.522 454 M N 1.070 120.716 119.600 0.077 0.000 2.149 454 M HA -0.174 4.305 4.480 -0.001 0.000 0.261 454 M C 2.392 178.740 176.300 0.080 0.000 1.064 454 M CA 1.801 57.190 55.300 0.150 0.000 1.102 454 M CB -0.808 31.946 32.600 0.257 0.000 1.369 454 M HN 0.233 nan 8.290 nan 0.000 0.408 455 Q N 1.772 121.598 119.800 0.043 0.000 2.217 455 Q HA -0.247 4.092 4.340 -0.001 0.000 0.209 455 Q C 0.377 176.395 176.000 0.030 0.000 0.988 455 Q CA 2.540 58.361 55.803 0.030 0.000 0.878 455 Q CB -1.191 27.570 28.738 0.039 0.000 0.909 455 Q HN 0.716 nan 8.270 nan 0.000 0.424 456 D N 0.445 120.864 120.400 0.032 0.000 2.328 456 D HA 0.154 4.794 4.640 -0.001 0.000 0.226 456 D C 1.465 177.786 176.300 0.034 0.000 1.066 456 D CA -0.021 53.999 54.000 0.033 0.000 0.861 456 D CB 0.023 40.836 40.800 0.022 0.000 0.912 456 D HN 0.201 nan 8.370 nan 0.000 0.521 457 L N 0.315 121.561 121.223 0.037 0.000 2.261 457 L HA -0.164 4.175 4.340 -0.001 0.000 0.216 457 L C 2.343 179.222 176.870 0.015 0.000 1.114 457 L CA 0.749 55.610 54.840 0.035 0.000 0.777 457 L CB -0.315 41.775 42.059 0.052 0.000 0.910 457 L HN 0.140 nan 8.230 nan 0.000 0.440 458 A N -0.807 122.016 122.820 0.005 0.000 2.066 458 A HA -0.120 4.200 4.320 -0.001 0.000 0.218 458 A C 2.332 179.913 177.584 -0.004 0.000 1.157 458 A CA 1.781 53.807 52.037 -0.020 0.000 0.670 458 A CB -0.539 18.443 19.000 -0.029 0.000 0.804 458 A HN 0.336 nan 8.150 nan 0.000 0.453 459 T N 0.060 114.640 114.554 0.044 0.000 2.857 459 T HA -0.119 4.230 4.350 -0.001 0.000 0.266 459 T C 2.014 176.796 174.700 0.135 0.000 1.048 459 T CA 1.531 63.705 62.100 0.123 0.000 1.139 459 T CB -0.182 68.768 68.868 0.137 0.000 0.874 459 T HN 0.634 nan 8.240 nan 0.000 0.455 460 Q N 0.462 120.303 119.800 0.069 0.000 2.050 460 Q HA -0.084 4.255 4.340 -0.001 0.000 0.202 460 Q C 2.547 178.546 176.000 -0.002 0.000 0.980 460 Q CA 1.259 57.093 55.803 0.051 0.000 0.840 460 Q CB -0.498 28.260 28.738 0.034 0.000 0.898 460 Q HN 0.336 nan 8.270 nan 0.000 0.424 461 V N 1.040 120.931 119.914 -0.038 0.000 2.255 461 V HA -0.334 3.785 4.120 -0.001 0.000 0.247 461 V C 2.353 178.267 176.094 -0.300 0.000 1.051 461 V CA 2.304 64.540 62.300 -0.106 0.000 1.018 461 V CB -0.730 31.059 31.823 -0.057 0.000 0.641 461 V HN 0.422 nan 8.190 nan 0.000 0.445 462 Q N -0.962 118.674 119.800 -0.273 0.000 2.135 462 Q HA -0.215 4.125 4.340 -0.001 0.000 0.204 462 Q C 1.739 177.296 176.000 -0.739 0.000 0.981 462 Q CA 2.060 57.570 55.803 -0.488 0.000 0.856 462 Q CB -0.081 28.387 28.738 -0.450 0.000 0.902 462 Q HN 0.769 nan 8.270 nan 0.000 0.425 463 Y N -0.818 119.346 120.300 -0.228 0.000 2.485 463 Y HA 0.188 4.738 4.550 -0.001 0.000 0.260 463 Y C -0.650 175.213 175.900 -0.061 0.000 1.173 463 Y CA 0.068 58.090 58.100 -0.131 0.000 1.252 463 Y CB 0.163 38.574 38.460 -0.082 0.000 1.123 463 Y HN 0.201 nan 8.280 nan 0.000 0.524 464 H N -0.265 118.839 119.070 0.056 0.000 2.702 464 H HA -0.146 4.409 4.556 -0.001 0.000 0.328 464 H C -1.031 174.325 175.328 0.047 0.000 1.111 464 H CA 0.247 56.319 56.048 0.040 0.000 1.109 464 H CB -1.725 28.054 29.762 0.027 0.000 1.606 464 H HN 0.231 nan 8.280 nan 0.000 0.399 465 L N 2.257 123.543 121.223 0.105 0.000 2.324 465 L HA 0.328 4.667 4.340 -0.001 0.000 0.274 465 L C -2.086 174.807 176.870 0.039 0.000 1.012 465 L CA -1.880 53.000 54.840 0.066 0.000 0.859 465 L CB 1.497 43.589 42.059 0.054 0.000 1.224 465 L HN 0.028 nan 8.230 nan 0.000 0.429 466 P HA 0.076 nan 4.420 nan 0.000 0.230 466 P C -0.078 177.189 177.300 -0.055 0.000 1.791 466 P CA -0.002 63.094 63.100 -0.007 0.000 1.020 466 P CB 0.116 31.804 31.700 -0.019 0.000 1.977 467 V N 2.603 122.491 119.914 -0.043 0.000 2.775 467 V HA 0.148 4.268 4.120 -0.001 0.000 0.299 467 V C 0.899 176.935 176.094 -0.098 0.000 1.062 467 V CA -0.259 61.996 62.300 -0.075 0.000 1.063 467 V CB 0.967 32.779 31.823 -0.019 0.000 0.994 467 V HN 0.245 nan 8.190 nan 0.000 0.483 468 I N 4.670 125.127 120.570 -0.188 0.000 2.307 468 I HA 0.313 4.482 4.170 -0.001 0.000 0.289 468 I C 0.076 176.204 176.117 0.018 0.000 1.021 468 I CA -0.133 61.081 61.300 -0.144 0.000 1.224 468 I CB 0.378 38.160 38.000 -0.365 0.000 1.376 468 I HN 0.606 nan 8.210 nan 0.000 0.470 469 N N 6.438 125.166 118.700 0.046 0.000 2.426 469 N HA 0.415 5.154 4.740 -0.001 0.000 0.275 469 N C -0.907 174.657 175.510 0.089 0.000 1.019 469 N CA -0.350 52.750 53.050 0.082 0.000 0.941 469 N CB 2.838 41.350 38.487 0.042 0.000 1.123 469 N HN 0.196 nan 8.380 nan 0.000 0.486 470 V N 2.522 122.527 119.914 0.150 0.000 2.443 470 V HA 0.295 4.414 4.120 -0.001 0.000 0.293 470 V C 0.016 176.161 176.094 0.085 0.000 1.021 470 V CA -0.827 61.527 62.300 0.090 0.000 0.848 470 V CB 1.858 33.799 31.823 0.196 0.000 0.998 470 V HN 0.295 nan 8.190 nan 0.000 0.424 471 V N 5.227 125.105 119.914 -0.061 0.000 2.370 471 V HA 0.472 4.591 4.120 -0.001 0.000 0.283 471 V C -0.574 175.480 176.094 -0.067 0.000 1.023 471 V CA -0.397 61.863 62.300 -0.066 0.000 0.857 471 V CB 1.311 32.928 31.823 -0.343 0.000 0.985 471 V HN 0.666 nan 8.190 nan 0.000 0.443 472 F N 2.383 122.311 119.950 -0.036 0.000 2.335 472 F HA 0.362 4.888 4.527 -0.001 0.000 0.365 472 F C 1.015 176.817 175.800 0.002 0.000 1.122 472 F CA -0.299 57.696 58.000 -0.007 0.000 1.151 472 F CB 1.091 40.086 39.000 -0.008 0.000 1.282 472 F HN 0.336 nan 8.300 nan 0.000 0.513 473 T N 3.437 118.059 114.554 0.113 0.000 2.891 473 T HA 0.114 4.463 4.350 -0.001 0.000 0.315 473 T C 0.876 175.617 174.700 0.069 0.000 1.054 473 T CA -0.512 61.658 62.100 0.117 0.000 0.958 473 T CB -0.079 68.864 68.868 0.126 0.000 1.008 473 T HN 0.513 nan 8.240 nan 0.000 0.521 474 N N 0.358 119.085 118.700 0.045 0.000 2.205 474 N HA 0.057 4.796 4.740 -0.001 0.000 0.201 474 N C 0.533 175.961 175.510 -0.137 0.000 1.128 474 N CA -0.489 52.538 53.050 -0.038 0.000 0.867 474 N CB -0.605 37.853 38.487 -0.048 0.000 0.996 474 N HN 0.534 nan 8.380 nan 0.000 0.503 475 C N 0.369 119.595 119.300 -0.124 0.000 4.274 475 C HA -0.175 4.284 4.460 -0.001 0.000 0.297 475 C C -0.196 174.174 174.990 -1.035 0.000 1.446 475 C CA 0.554 59.359 59.018 -0.355 0.000 2.016 475 C CB -2.923 24.700 27.740 -0.195 0.000 1.273 475 C HN 0.614 nan 8.230 nan 0.000 0.782 476 Q N -2.569 116.678 119.800 -0.922 0.000 2.456 476 Q HA 0.500 4.839 4.340 -0.001 0.000 0.284 476 Q C -0.921 174.785 176.000 -0.490 0.000 1.061 476 Q CA -0.759 54.493 55.803 -0.917 0.000 0.799 476 Q CB 1.245 29.736 28.738 -0.411 0.000 1.445 476 Q HN 0.322 nan 8.270 nan 0.000 0.411 477 Y N 1.049 121.324 120.300 -0.041 0.000 2.636 477 Y HA 0.163 4.712 4.550 -0.001 0.000 0.334 477 Y C 1.330 177.255 175.900 0.042 0.000 1.286 477 Y CA -0.139 58.044 58.100 0.139 0.000 1.688 477 Y CB -0.207 38.373 38.460 0.201 0.000 1.662 477 Y HN 0.936 nan 8.280 nan 0.000 0.465 478 G N 1.390 110.271 108.800 0.135 0.000 2.491 478 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.218 478 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.218 478 G C 1.638 176.602 174.900 0.106 0.000 1.180 478 G CA 0.618 45.751 45.100 0.054 0.000 0.774 478 G HN 0.583 nan 8.290 nan 0.000 0.562 479 F N 0.971 120.950 119.950 0.048 0.000 2.120 479 F HA -0.159 4.367 4.527 -0.001 0.000 0.300 479 F C 2.468 178.297 175.800 0.049 0.000 1.095 479 F CA 1.281 59.307 58.000 0.043 0.000 1.249 479 F CB 0.117 39.137 39.000 0.033 0.000 0.995 479 F HN 0.035 nan 8.300 nan 0.000 0.480 480 I N 0.058 120.793 120.570 0.276 0.000 2.406 480 I HA -0.207 3.962 4.170 -0.001 0.000 0.249 480 I C 2.264 178.451 176.117 0.116 0.000 1.122 480 I CA 1.118 62.533 61.300 0.192 0.000 1.431 480 I CB -1.549 36.558 38.000 0.178 0.000 1.087 480 I HN 0.158 nan 8.210 nan 0.000 0.424 481 K N 1.387 121.820 120.400 0.055 0.000 2.044 481 K HA -0.245 4.074 4.320 -0.001 0.000 0.210 481 K C 1.654 178.239 176.600 -0.024 0.000 1.049 481 K CA 2.125 58.353 56.287 -0.097 0.000 0.927 481 K CB -0.002 32.298 32.500 -0.333 0.000 0.713 481 K HN 0.196 nan 8.250 nan 0.000 0.443 482 D N 0.703 121.072 120.400 -0.051 0.000 2.123 482 D HA -0.171 4.469 4.640 -0.001 0.000 0.196 482 D C 1.811 178.114 176.300 0.005 0.000 0.992 482 D CA 1.382 55.361 54.000 -0.035 0.000 0.833 482 D CB -0.216 40.497 40.800 -0.144 0.000 0.954 482 D HN 0.438 nan 8.370 nan 0.000 0.455 483 E N 0.489 120.674 120.200 -0.026 0.000 2.085 483 E HA -0.184 4.165 4.350 -0.001 0.000 0.194 483 E C 2.183 178.840 176.600 0.095 0.000 0.994 483 E CA 0.767 57.181 56.400 0.024 0.000 0.801 483 E CB -0.090 29.637 29.700 0.046 0.000 0.743 483 E HN 0.391 nan 8.360 nan 0.000 0.453 484 Q N 0.349 120.250 119.800 0.168 0.000 2.167 484 Q HA -0.182 4.157 4.340 -0.001 0.000 0.202 484 Q C 2.132 178.266 176.000 0.222 0.000 0.970 484 Q CA 0.903 56.837 55.803 0.218 0.000 0.855 484 Q CB 0.015 28.966 28.738 0.355 0.000 0.911 484 Q HN 0.315 nan 8.270 nan 0.000 0.438 485 E N 0.927 121.335 120.200 0.347 0.000 2.031 485 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 485 E C 1.159 177.823 176.600 0.108 0.000 0.994 485 E CA 1.378 57.938 56.400 0.265 0.000 0.800 485 E CB 0.157 30.060 29.700 0.339 0.000 0.752 485 E HN 0.285 nan 8.360 nan 0.000 0.447 486 D N -0.433 120.024 120.400 0.095 0.000 2.149 486 D HA -0.156 4.483 4.640 -0.001 0.000 0.198 486 D C 2.009 178.332 176.300 0.038 0.000 0.990 486 D CA 2.181 56.215 54.000 0.057 0.000 0.839 486 D CB -0.290 40.535 40.800 0.042 0.000 0.948 486 D HN 0.418 nan 8.370 nan 0.000 0.460 487 T N -3.389 111.189 114.554 0.039 0.000 2.999 487 T HA 0.094 4.443 4.350 -0.001 0.000 0.247 487 T C 0.755 175.461 174.700 0.009 0.000 1.012 487 T CA -0.446 61.669 62.100 0.025 0.000 1.048 487 T CB 0.119 69.005 68.868 0.031 0.000 1.020 487 T HN -0.193 nan 8.240 nan 0.000 0.478 488 N N 2.017 120.718 118.700 0.003 0.000 2.529 488 N HA 0.332 5.071 4.740 -0.001 0.000 0.278 488 N C 0.970 176.446 175.510 -0.057 0.000 1.146 488 N CA -0.368 52.670 53.050 -0.021 0.000 0.980 488 N CB 1.175 39.652 38.487 -0.017 0.000 1.124 488 N HN 0.245 nan 8.380 nan 0.000 0.458 489 Q N 0.487 120.259 119.800 -0.048 0.000 2.123 489 Q HA 0.087 4.426 4.340 -0.001 0.000 0.196 489 Q C -0.168 175.783 176.000 -0.081 0.000 0.958 489 Q CA 0.876 56.646 55.803 -0.056 0.000 0.841 489 Q CB 0.134 28.852 28.738 -0.035 0.000 0.915 489 Q HN 0.576 nan 8.270 nan 0.000 0.455 490 N N 1.373 120.028 118.700 -0.076 0.000 2.405 490 N HA 0.067 4.806 4.740 -0.001 0.000 0.269 490 N C -0.235 175.186 175.510 -0.147 0.000 1.249 490 N CA -0.233 52.767 53.050 -0.084 0.000 0.974 490 N CB 0.357 38.818 38.487 -0.044 0.000 1.204 490 N HN -0.003 nan 8.380 nan 0.000 0.565 491 D N 0.130 120.451 120.400 -0.131 0.000 2.364 491 D HA 0.018 4.657 4.640 -0.001 0.000 0.236 491 D C 0.238 176.453 176.300 -0.141 0.000 1.221 491 D CA 0.453 54.343 54.000 -0.185 0.000 0.891 491 D CB 0.215 40.977 40.800 -0.062 0.000 1.190 491 D HN 0.194 nan 8.370 nan 0.000 0.449 492 F N 0.464 120.424 119.950 0.017 0.000 2.602 492 F HA 0.144 4.670 4.527 -0.001 0.000 0.367 492 F C 0.957 176.777 175.800 0.033 0.000 1.126 492 F CA 0.198 58.213 58.000 0.024 0.000 1.321 492 F CB -0.007 39.003 39.000 0.016 0.000 1.094 492 F HN 0.091 nan 8.300 nan 0.000 0.594 493 I N 1.021 121.745 120.570 0.256 0.000 2.644 493 I HA 0.492 4.661 4.170 -0.001 0.000 0.291 493 I C 0.408 176.633 176.117 0.181 0.000 1.180 493 I CA -0.155 61.248 61.300 0.171 0.000 1.040 493 I CB 1.826 39.896 38.000 0.117 0.000 1.255 493 I HN 0.676 nan 8.210 nan 0.000 0.422 494 G N 4.322 113.228 108.800 0.177 0.000 2.189 494 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.267 494 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.267 494 G C 0.492 175.597 174.900 0.341 0.000 0.975 494 G CA 0.828 46.069 45.100 0.235 0.000 0.644 494 G HN 1.356 nan 8.290 nan 0.000 0.537 495 V N -3.352 116.696 119.914 0.223 0.000 3.605 495 V HA 0.546 4.665 4.120 -0.001 0.000 0.284 495 V C 0.442 176.441 176.094 -0.158 0.000 1.386 495 V CA 0.780 63.179 62.300 0.165 0.000 1.053 495 V CB 0.397 32.275 31.823 0.092 0.000 0.857 495 V HN 0.334 nan 8.190 nan 0.000 0.436 496 E N 1.517 121.619 120.200 -0.164 0.000 2.176 496 E HA 0.681 5.030 4.350 -0.001 0.000 0.267 496 E C -1.191 175.277 176.600 -0.220 0.000 0.893 496 E CA -0.609 55.577 56.400 -0.357 0.000 0.761 496 E CB 1.999 31.575 29.700 -0.208 0.000 1.133 496 E HN 0.529 nan 8.360 nan 0.000 0.409 497 F N -0.523 119.360 119.950 -0.113 0.000 2.706 497 F HA 0.550 5.076 4.527 -0.001 0.000 0.328 497 F C -0.137 175.623 175.800 -0.068 0.000 1.123 497 F CA -1.731 56.215 58.000 -0.090 0.000 0.978 497 F CB 0.286 39.204 39.000 -0.136 0.000 1.404 497 F HN 0.084 nan 8.300 nan 0.000 0.497 498 N N 0.555 119.417 118.700 0.270 0.000 2.453 498 N HA 0.116 4.855 4.740 -0.001 0.000 0.253 498 N C -1.071 174.567 175.510 0.213 0.000 1.252 498 N CA -0.050 53.096 53.050 0.161 0.000 0.917 498 N CB 0.167 38.709 38.487 0.091 0.000 1.117 498 N HN 0.804 nan 8.380 nan 0.000 0.442 499 D N 0.398 120.867 120.400 0.115 0.000 2.443 499 D HA 0.175 4.814 4.640 -0.001 0.000 0.239 499 D C -0.644 175.688 176.300 0.054 0.000 1.136 499 D CA 0.260 54.321 54.000 0.102 0.000 0.879 499 D CB 0.423 41.256 40.800 0.054 0.000 1.195 499 D HN 0.293 nan 8.370 nan 0.000 0.443 500 I N 2.772 123.368 120.570 0.043 0.000 2.447 500 I HA 0.129 4.298 4.170 -0.001 0.000 0.287 500 I C -0.687 175.377 176.117 -0.088 0.000 1.023 500 I CA -0.875 60.359 61.300 -0.109 0.000 1.083 500 I CB 1.850 39.681 38.000 -0.281 0.000 1.245 500 I HN 0.422 nan 8.210 nan 0.000 0.434 501 D N 6.190 126.526 120.400 -0.106 0.000 2.374 501 D HA 0.106 4.746 4.640 -0.001 0.000 0.240 501 D C 0.636 176.885 176.300 -0.086 0.000 1.229 501 D CA 0.097 54.077 54.000 -0.032 0.000 0.895 501 D CB 0.580 41.364 40.800 -0.028 0.000 1.046 501 D HN 0.307 nan 8.370 nan 0.000 0.498 502 F N 1.559 121.511 119.950 0.004 0.000 2.502 502 F HA -0.153 4.373 4.527 -0.001 0.000 0.298 502 F C 2.663 178.455 175.800 -0.014 0.000 1.111 502 F CA 0.727 58.727 58.000 -0.001 0.000 1.445 502 F CB 0.060 39.069 39.000 0.014 0.000 1.081 502 F HN 0.386 nan 8.300 nan 0.000 0.558 503 S N -0.190 115.582 115.700 0.120 0.000 2.383 503 S HA -0.167 4.302 4.470 -0.001 0.000 0.227 503 S C 1.909 176.502 174.600 -0.011 0.000 1.026 503 S CA 0.812 59.033 58.200 0.035 0.000 0.981 503 S CB -0.383 62.819 63.200 0.003 0.000 0.818 503 S HN 0.357 nan 8.310 nan 0.000 0.472 504 K N 0.713 121.097 120.400 -0.026 0.000 2.057 504 K HA 0.090 4.409 4.320 -0.001 0.000 0.206 504 K C 2.062 178.621 176.600 -0.069 0.000 1.050 504 K CA 1.189 57.445 56.287 -0.052 0.000 0.935 504 K CB -0.345 32.119 32.500 -0.061 0.000 0.715 504 K HN 0.298 nan 8.250 nan 0.000 0.439 505 I N 1.500 122.009 120.570 -0.101 0.000 2.151 505 I HA -0.292 3.877 4.170 -0.001 0.000 0.243 505 I C 2.506 178.599 176.117 -0.039 0.000 1.080 505 I CA 1.596 62.831 61.300 -0.109 0.000 1.339 505 I CB -1.372 36.498 38.000 -0.217 0.000 1.039 505 I HN 0.133 nan 8.210 nan 0.000 0.409 506 A N 0.343 123.172 122.820 0.016 0.000 1.933 506 A HA -0.265 4.054 4.320 -0.001 0.000 0.218 506 A C 2.118 179.683 177.584 -0.032 0.000 1.175 506 A CA 2.034 54.076 52.037 0.009 0.000 0.628 506 A CB -0.720 18.298 19.000 0.030 0.000 0.814 506 A HN 0.439 nan 8.150 nan 0.000 0.444 507 D N -0.172 120.206 120.400 -0.036 0.000 2.123 507 D HA -0.093 4.546 4.640 -0.001 0.000 0.196 507 D C 2.021 178.298 176.300 -0.038 0.000 0.992 507 D CA 1.683 55.668 54.000 -0.025 0.000 0.833 507 D CB -0.661 40.120 40.800 -0.031 0.000 0.954 507 D HN 0.301 nan 8.370 nan 0.000 0.455 508 G N 0.130 108.878 108.800 -0.087 0.000 2.475 508 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.220 508 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.220 508 G C 1.516 176.192 174.900 -0.374 0.000 1.125 508 G CA 1.667 46.671 45.100 -0.160 0.000 0.755 508 G HN 0.475 nan 8.290 nan 0.000 0.565 509 V N -4.387 115.329 119.914 -0.331 0.000 3.427 509 V HA 0.349 4.468 4.120 -0.001 0.000 0.305 509 V C 0.565 176.433 176.094 -0.377 0.000 1.412 509 V CA 0.063 62.117 62.300 -0.410 0.000 1.086 509 V CB -0.825 30.897 31.823 -0.168 0.000 0.964 509 V HN 0.494 nan 8.190 nan 0.000 0.439 510 H N -0.614 118.440 119.070 -0.026 0.000 3.030 510 H HA -0.097 4.459 4.556 -0.001 0.000 0.324 510 H C -0.365 174.947 175.328 -0.027 0.000 1.323 510 H CA 1.168 57.199 56.048 -0.029 0.000 1.207 510 H CB -1.691 28.054 29.762 -0.029 0.000 1.442 510 H HN 0.737 nan 8.280 nan 0.000 0.443 511 M N 0.698 120.328 119.600 0.050 0.000 2.327 511 M HA 0.317 4.797 4.480 -0.001 0.000 0.298 511 M C -0.420 175.867 176.300 -0.020 0.000 1.065 511 M CA -0.572 54.739 55.300 0.019 0.000 0.916 511 M CB 1.869 34.475 32.600 0.010 0.000 1.630 511 M HN 0.212 nan 8.290 nan 0.000 0.442 512 Q N 2.300 122.076 119.800 -0.040 0.000 2.364 512 Q HA 0.600 4.940 4.340 -0.001 0.000 0.267 512 Q C -0.809 175.074 176.000 -0.195 0.000 0.999 512 Q CA 0.137 55.860 55.803 -0.133 0.000 0.886 512 Q CB 1.278 29.950 28.738 -0.110 0.000 1.243 512 Q HN 0.745 nan 8.270 nan 0.000 0.415 513 A N 2.248 124.829 122.820 -0.398 0.000 2.599 513 A HA 0.818 5.137 4.320 -0.001 0.000 0.290 513 A C -1.796 175.375 177.584 -0.687 0.000 1.101 513 A CA -0.676 51.153 52.037 -0.346 0.000 0.674 513 A CB 1.202 20.142 19.000 -0.100 0.000 1.277 513 A HN 0.583 nan 8.150 nan 0.000 0.419 514 F N -0.424 119.497 119.950 -0.049 0.000 2.601 514 F HA 0.735 5.262 4.527 -0.001 0.000 0.309 514 F C 0.106 175.881 175.800 -0.043 0.000 1.089 514 F CA -0.482 57.487 58.000 -0.052 0.000 0.940 514 F CB 2.339 41.286 39.000 -0.088 0.000 1.273 514 F HN 0.668 nan 8.300 nan 0.000 0.450 515 R N 2.087 122.681 120.500 0.157 0.000 2.494 515 R HA 0.843 5.182 4.340 -0.001 0.000 0.305 515 R C -1.814 174.535 176.300 0.081 0.000 0.959 515 R CA -0.714 55.443 56.100 0.095 0.000 0.864 515 R CB 1.737 32.075 30.300 0.064 0.000 1.159 515 R HN 0.655 nan 8.270 nan 0.000 0.446 516 V N 1.604 121.547 119.914 0.048 0.000 2.789 516 V HA 0.534 4.653 4.120 -0.001 0.000 0.311 516 V C -0.454 175.649 176.094 0.015 0.000 1.073 516 V CA -0.630 61.690 62.300 0.032 0.000 0.921 516 V CB 1.893 33.731 31.823 0.025 0.000 1.009 516 V HN 1.072 nan 8.190 nan 0.000 0.426 517 N N 1.094 119.801 118.700 0.011 0.000 2.143 517 N HA 0.351 5.090 4.740 -0.001 0.000 0.229 517 N C -0.287 175.221 175.510 -0.005 0.000 1.294 517 N CA -0.845 52.206 53.050 0.000 0.000 0.883 517 N CB 0.866 39.355 38.487 0.003 0.000 1.148 517 N HN 0.679 nan 8.380 nan 0.000 0.511 518 K N 0.228 120.627 120.400 -0.001 0.000 2.426 518 K HA 0.390 4.709 4.320 -0.001 0.000 0.251 518 K C 0.222 176.818 176.600 -0.006 0.000 0.941 518 K CA -0.799 55.486 56.287 -0.004 0.000 0.808 518 K CB 2.458 34.958 32.500 -0.001 0.000 1.265 518 K HN -0.112 nan 8.250 nan 0.000 0.432 519 I N 1.911 122.474 120.570 -0.013 0.000 2.264 519 I HA -0.308 3.861 4.170 -0.001 0.000 0.248 519 I C 2.300 178.409 176.117 -0.015 0.000 1.111 519 I CA 1.432 62.720 61.300 -0.020 0.000 1.382 519 I CB -0.083 37.903 38.000 -0.024 0.000 1.060 519 I HN 0.704 nan 8.210 nan 0.000 0.418 520 E N 1.147 121.342 120.200 -0.009 0.000 2.265 520 E HA -0.274 4.075 4.350 -0.001 0.000 0.196 520 E C 1.701 178.302 176.600 0.001 0.000 0.996 520 E CA 1.128 57.524 56.400 -0.006 0.000 0.832 520 E CB -0.530 29.167 29.700 -0.004 0.000 0.756 520 E HN 0.641 nan 8.360 nan 0.000 0.491 521 Q N 0.495 120.299 119.800 0.007 0.000 2.378 521 Q HA 0.099 4.438 4.340 -0.001 0.000 0.205 521 Q C 2.409 178.425 176.000 0.027 0.000 0.954 521 Q CA 0.491 56.302 55.803 0.013 0.000 0.901 521 Q CB -0.115 28.632 28.738 0.015 0.000 0.981 521 Q HN 0.292 nan 8.270 nan 0.000 0.483 522 L N 0.650 121.902 121.223 0.048 0.000 2.046 522 L HA -0.139 4.201 4.340 -0.001 0.000 0.208 522 L C -0.652 176.309 176.870 0.151 0.000 1.077 522 L CA 1.167 56.089 54.840 0.137 0.000 0.747 522 L CB -1.698 40.379 42.059 0.029 0.000 0.896 522 L HN 0.154 nan 8.230 nan 0.000 0.432 523 P HA -0.136 nan 4.420 nan 0.000 0.215 523 P C 0.909 178.234 177.300 0.041 0.000 1.153 523 P CA 1.369 64.492 63.100 0.038 0.000 0.853 523 P CB 0.012 31.715 31.700 0.004 0.000 0.788 524 D N -1.034 119.370 120.400 0.006 0.000 2.162 524 D HA -0.063 4.576 4.640 -0.001 0.000 0.203 524 D C 2.075 178.305 176.300 -0.117 0.000 0.967 524 D CA 0.850 54.831 54.000 -0.032 0.000 0.840 524 D CB -0.606 40.179 40.800 -0.025 0.000 0.972 524 D HN -0.042 nan 8.370 nan 0.000 0.482 525 V N 0.886 120.693 119.914 -0.179 0.000 2.295 525 V HA -0.238 3.881 4.120 -0.001 0.000 0.246 525 V C 2.210 178.012 176.094 -0.486 0.000 1.049 525 V CA 1.401 63.398 62.300 -0.505 0.000 1.024 525 V CB -0.600 30.946 31.823 -0.462 0.000 0.648 525 V HN 0.055 nan 8.190 nan 0.000 0.447 526 F N 0.212 120.026 119.950 -0.227 0.000 2.186 526 F HA -0.120 4.406 4.527 -0.001 0.000 0.299 526 F C 2.440 178.187 175.800 -0.088 0.000 1.090 526 F CA 1.738 59.662 58.000 -0.126 0.000 1.307 526 F CB -0.358 38.611 39.000 -0.051 0.000 1.019 526 F HN 0.140 nan 8.300 nan 0.000 0.489 527 E N 0.141 120.380 120.200 0.066 0.000 2.110 527 E HA -0.191 4.158 4.350 -0.001 0.000 0.193 527 E C 2.148 178.739 176.600 -0.014 0.000 0.988 527 E CA 1.227 57.645 56.400 0.030 0.000 0.804 527 E CB -0.193 29.521 29.700 0.023 0.000 0.745 527 E HN 0.400 nan 8.360 nan 0.000 0.458 528 Q N -0.553 119.196 119.800 -0.086 0.000 1.993 528 Q HA -0.176 4.163 4.340 -0.001 0.000 0.202 528 Q C 2.211 178.188 176.000 -0.038 0.000 0.984 528 Q CA 1.493 57.258 55.803 -0.065 0.000 0.837 528 Q CB -0.306 28.348 28.738 -0.140 0.000 0.902 528 Q HN 0.367 nan 8.270 nan 0.000 0.423 529 A N 1.619 124.340 122.820 -0.165 0.000 1.884 529 A HA -0.320 3.999 4.320 -0.001 0.000 0.219 529 A C 2.001 179.571 177.584 -0.023 0.000 1.197 529 A CA 2.129 54.121 52.037 -0.074 0.000 0.637 529 A CB -0.715 18.145 19.000 -0.233 0.000 0.827 529 A HN 0.341 nan 8.150 nan 0.000 0.450 530 K N -0.577 119.823 120.400 -0.001 0.000 2.059 530 K HA -0.195 4.124 4.320 -0.001 0.000 0.212 530 K C 2.003 178.601 176.600 -0.004 0.000 1.050 530 K CA 1.764 58.062 56.287 0.019 0.000 0.927 530 K CB -0.339 32.199 32.500 0.064 0.000 0.714 530 K HN 0.424 nan 8.250 nan 0.000 0.447 531 A N 0.547 123.375 122.820 0.014 0.000 1.975 531 A HA 0.045 4.365 4.320 -0.001 0.000 0.215 531 A C 2.004 179.614 177.584 0.043 0.000 1.170 531 A CA 0.743 52.795 52.037 0.024 0.000 0.656 531 A CB -0.325 18.700 19.000 0.041 0.000 0.821 531 A HN 0.326 nan 8.150 nan 0.000 0.449 532 I N 0.239 120.845 120.570 0.060 0.000 2.208 532 I HA -0.296 3.873 4.170 -0.001 0.000 0.245 532 I C 2.674 178.817 176.117 0.044 0.000 1.097 532 I CA 1.237 62.586 61.300 0.082 0.000 1.363 532 I CB -0.247 37.816 38.000 0.105 0.000 1.051 532 I HN 0.323 nan 8.210 nan 0.000 0.413 533 A N 0.156 122.970 122.820 -0.010 0.000 2.248 533 A HA -0.118 4.201 4.320 -0.001 0.000 0.210 533 A C 2.041 179.558 177.584 -0.110 0.000 1.174 533 A CA 0.696 52.696 52.037 -0.062 0.000 0.750 533 A CB -0.335 18.595 19.000 -0.116 0.000 0.780 533 A HN 0.431 nan 8.150 nan 0.000 0.478 534 Q N -0.853 118.859 119.800 -0.147 0.000 2.291 534 Q HA -0.141 4.198 4.340 -0.001 0.000 0.205 534 Q C 0.752 176.416 176.000 -0.560 0.000 0.970 534 Q CA 1.729 57.324 55.803 -0.346 0.000 0.876 534 Q CB -0.259 28.216 28.738 -0.438 0.000 0.935 534 Q HN 0.965 nan 8.270 nan 0.000 0.455 535 H N -1.525 117.545 119.070 -0.001 0.000 3.207 535 H HA 0.254 4.809 4.556 -0.001 0.000 0.237 535 H C 0.007 175.350 175.328 0.025 0.000 0.959 535 H CA -0.048 56.002 56.048 0.004 0.000 1.091 535 H CB 1.170 30.932 29.762 -0.001 0.000 1.447 535 H HN -0.074 nan 8.280 nan 0.000 0.477 536 E N 0.378 120.651 120.200 0.122 0.000 2.412 536 E HA 0.254 4.604 4.350 -0.001 0.000 0.279 536 E C -2.826 173.807 176.600 0.056 0.000 0.984 536 E CA -2.141 54.323 56.400 0.107 0.000 0.788 536 E CB 2.274 32.046 29.700 0.119 0.000 1.277 536 E HN -0.073 nan 8.360 nan 0.000 0.455 537 P HA 0.200 nan 4.420 nan 0.000 0.272 537 P C -0.484 176.831 177.300 0.025 0.000 1.230 537 P CA -0.246 62.867 63.100 0.021 0.000 0.788 537 P CB 0.967 32.681 31.700 0.023 0.000 0.949 538 V N 2.605 122.530 119.914 0.019 0.000 3.178 538 V HA 0.648 4.768 4.120 -0.001 0.000 0.302 538 V C -1.756 174.362 176.094 0.040 0.000 1.262 538 V CA -1.074 61.250 62.300 0.040 0.000 1.030 538 V CB 2.237 34.110 31.823 0.084 0.000 1.074 538 V HN 0.484 nan 8.190 nan 0.000 0.438 539 L N 4.758 126.014 121.223 0.056 0.000 2.408 539 L HA 0.744 5.083 4.340 -0.001 0.000 0.268 539 L C -1.494 175.425 176.870 0.082 0.000 0.986 539 L CA -0.510 54.361 54.840 0.052 0.000 0.820 539 L CB 1.920 44.012 42.059 0.055 0.000 1.303 539 L HN 0.729 nan 8.230 nan 0.000 0.411 540 I N 3.635 124.211 120.570 0.010 0.000 2.389 540 I HA 0.310 4.479 4.170 -0.001 0.000 0.288 540 I C -1.052 175.043 176.117 -0.036 0.000 0.999 540 I CA -0.338 60.941 61.300 -0.034 0.000 1.129 540 I CB 1.717 39.540 38.000 -0.295 0.000 1.288 540 I HN 0.498 nan 8.210 nan 0.000 0.444 541 D N 6.365 126.775 120.400 0.017 0.000 2.443 541 D HA 0.456 5.096 4.640 -0.001 0.000 0.221 541 D C -0.445 175.846 176.300 -0.014 0.000 1.097 541 D CA -0.249 53.765 54.000 0.023 0.000 0.865 541 D CB 1.333 42.203 40.800 0.116 0.000 1.034 541 D HN 0.550 nan 8.370 nan 0.000 0.511 542 A N 4.214 126.975 122.820 -0.098 0.000 2.366 542 A HA 0.422 4.741 4.320 -0.001 0.000 0.322 542 A C -0.092 177.449 177.584 -0.072 0.000 1.397 542 A CA -0.681 51.285 52.037 -0.119 0.000 0.984 542 A CB 0.394 19.229 19.000 -0.274 0.000 1.149 542 A HN 0.402 nan 8.150 nan 0.000 0.540 543 V N 5.341 125.242 119.914 -0.021 0.000 2.421 543 V HA 0.206 4.325 4.120 -0.001 0.000 0.271 543 V C 0.439 176.520 176.094 -0.022 0.000 1.031 543 V CA 0.418 62.716 62.300 -0.002 0.000 1.032 543 V CB -0.578 31.251 31.823 0.010 0.000 1.009 543 V HN 0.730 nan 8.190 nan 0.000 0.477 544 I N 2.148 122.707 120.570 -0.019 0.000 2.797 544 I HA 0.760 4.929 4.170 -0.001 0.000 0.307 544 I C 0.640 176.733 176.117 -0.040 0.000 1.033 544 I CA -0.677 60.602 61.300 -0.035 0.000 1.071 544 I CB 2.197 40.183 38.000 -0.023 0.000 1.255 544 I HN 0.571 nan 8.210 nan 0.000 0.445 545 T N 0.505 115.026 114.554 -0.055 0.000 2.795 545 T HA 0.209 4.558 4.350 -0.001 0.000 0.314 545 T C 1.000 175.663 174.700 -0.061 0.000 1.069 545 T CA -0.061 62.007 62.100 -0.053 0.000 1.071 545 T CB 0.731 69.571 68.868 -0.046 0.000 0.988 545 T HN 0.961 nan 8.240 nan 0.000 0.543 546 G N 0.595 109.357 108.800 -0.064 0.000 3.424 546 G HA2 0.170 4.130 3.960 -0.001 0.000 0.263 546 G HA3 0.170 4.130 3.960 -0.001 0.000 0.263 546 G C -0.061 174.806 174.900 -0.055 0.000 1.310 546 G CA -0.501 44.553 45.100 -0.077 0.000 1.089 546 G HN 0.753 nan 8.290 nan 0.000 0.534 547 D N 0.538 120.919 120.400 -0.031 0.000 2.389 547 D HA 0.103 4.742 4.640 -0.001 0.000 0.247 547 D C 0.514 176.851 176.300 0.062 0.000 1.128 547 D CA 0.091 54.098 54.000 0.013 0.000 0.884 547 D CB 1.446 42.278 40.800 0.053 0.000 1.194 547 D HN 0.179 nan 8.370 nan 0.000 0.441 548 R N 3.048 123.611 120.500 0.105 0.000 2.340 548 R HA 0.277 4.616 4.340 -0.001 0.000 0.300 548 R C -2.413 174.102 176.300 0.358 0.000 1.069 548 R CA -1.293 54.923 56.100 0.192 0.000 0.984 548 R CB 0.605 31.032 30.300 0.211 0.000 1.003 548 R HN 0.116 nan 8.270 nan 0.000 0.459 549 P HA -0.006 nan 4.420 nan 0.000 0.271 549 P C -0.624 176.760 177.300 0.141 0.000 1.218 549 P CA -0.402 62.895 63.100 0.328 0.000 0.780 549 P CB 0.537 32.408 31.700 0.286 0.000 0.901 550 L N 4.734 125.982 121.223 0.041 0.000 2.601 550 L HA 0.117 4.456 4.340 -0.001 0.000 0.277 550 L C -2.005 174.738 176.870 -0.211 0.000 1.219 550 L CA -1.085 53.499 54.840 -0.425 0.000 0.915 550 L CB -0.200 41.800 42.059 -0.098 0.000 1.160 550 L HN 0.286 nan 8.230 nan 0.000 0.494 551 P HA 0.137 nan 4.420 nan 0.000 0.280 551 P C -0.082 177.199 177.300 -0.032 0.000 1.386 551 P CA -0.352 62.687 63.100 -0.101 0.000 0.899 551 P CB 1.416 33.074 31.700 -0.071 0.000 1.098 552 A N 3.998 126.801 122.820 -0.029 0.000 2.216 552 A HA -0.134 4.185 4.320 -0.001 0.000 0.214 552 A C 1.656 179.189 177.584 -0.085 0.000 1.160 552 A CA 1.042 53.026 52.037 -0.088 0.000 0.725 552 A CB -0.588 18.312 19.000 -0.167 0.000 0.784 552 A HN 0.554 nan 8.150 nan 0.000 0.472 553 E N -0.194 119.979 120.200 -0.045 0.000 2.476 553 E HA 0.053 4.402 4.350 -0.001 0.000 0.199 553 E C 0.374 176.953 176.600 -0.035 0.000 1.021 553 E CA 0.367 56.743 56.400 -0.039 0.000 0.907 553 E CB -0.061 29.631 29.700 -0.013 0.000 0.974 553 E HN 0.484 nan 8.360 nan 0.000 0.489 554 K N 1.312 121.700 120.400 -0.021 0.000 2.896 554 K HA 0.362 4.681 4.320 -0.001 0.000 0.210 554 K C -0.231 176.330 176.600 -0.065 0.000 1.116 554 K CA -0.258 56.027 56.287 -0.003 0.000 1.050 554 K CB 0.776 33.316 32.500 0.067 0.000 0.812 554 K HN 0.022 nan 8.250 nan 0.000 0.462 555 L N 2.196 123.296 121.223 -0.205 0.000 2.462 555 L HA 0.104 4.443 4.340 -0.001 0.000 0.272 555 L C 0.461 176.895 176.870 -0.728 0.000 1.166 555 L CA 0.239 54.751 54.840 -0.547 0.000 0.880 555 L CB 0.216 42.073 42.059 -0.336 0.000 1.142 555 L HN 0.064 nan 8.230 nan 0.000 0.473 556 R N 6.467 126.118 120.500 -1.415 0.000 2.664 556 R HA 0.331 4.670 4.340 -0.001 0.000 0.281 556 R C 0.075 176.029 176.300 -0.578 0.000 1.383 556 R CA -0.102 55.545 56.100 -0.754 0.000 1.563 556 R CB 0.582 30.617 30.300 -0.441 0.000 1.131 556 R HN 0.722 nan 8.270 nan 0.000 0.599 557 L N -0.689 120.306 121.223 -0.381 0.000 3.128 557 L HA 0.260 4.599 4.340 -0.001 0.000 0.277 557 L C -0.117 176.667 176.870 -0.143 0.000 1.171 557 L CA -0.069 54.642 54.840 -0.214 0.000 1.008 557 L CB 0.775 42.720 42.059 -0.191 0.000 1.442 557 L HN 0.159 nan 8.230 nan 0.000 0.584 558 D N 0.122 120.435 120.400 -0.144 0.000 2.380 558 D HA 0.097 4.736 4.640 -0.001 0.000 0.230 558 D C 1.341 177.591 176.300 -0.083 0.000 1.154 558 D CA 0.124 54.061 54.000 -0.105 0.000 0.859 558 D CB 1.313 42.054 40.800 -0.099 0.000 1.045 558 D HN 0.063 nan 8.370 nan 0.000 0.495 559 S N 2.411 118.070 115.700 -0.068 0.000 2.423 559 S HA -0.135 4.334 4.470 -0.001 0.000 0.231 559 S C 1.833 176.405 174.600 -0.046 0.000 1.014 559 S CA 0.564 58.733 58.200 -0.052 0.000 0.965 559 S CB -0.009 63.165 63.200 -0.044 0.000 0.785 559 S HN 0.389 nan 8.310 nan 0.000 0.495 560 A N 0.262 123.053 122.820 -0.049 0.000 2.235 560 A HA 0.430 4.749 4.320 -0.001 0.000 0.208 560 A C 1.946 179.505 177.584 -0.042 0.000 1.172 560 A CA 0.602 52.614 52.037 -0.041 0.000 0.786 560 A CB -0.395 18.581 19.000 -0.040 0.000 0.804 560 A HN 0.588 nan 8.150 nan 0.000 0.479 561 M N -2.090 117.479 119.600 -0.051 0.000 2.274 561 M HA 0.143 4.622 4.480 -0.001 0.000 0.214 561 M C -0.247 176.022 176.300 -0.053 0.000 1.526 561 M CA 0.537 55.805 55.300 -0.052 0.000 1.043 561 M CB 0.634 33.196 32.600 -0.063 0.000 1.505 561 M HN 0.192 nan 8.290 nan 0.000 0.561 562 S N 0.692 116.354 115.700 -0.064 0.000 2.593 562 S HA 0.358 4.827 4.470 -0.001 0.000 0.297 562 S C -0.173 174.403 174.600 -0.040 0.000 1.112 562 S CA -0.580 57.585 58.200 -0.058 0.000 1.043 562 S CB 2.121 65.268 63.200 -0.089 0.000 1.054 562 S HN 0.309 nan 8.310 nan 0.000 0.516 563 S N 1.370 117.055 115.700 -0.025 0.000 2.558 563 S HA 0.218 4.687 4.470 -0.001 0.000 0.288 563 S C 1.449 176.044 174.600 -0.008 0.000 1.318 563 S CA -0.150 58.042 58.200 -0.013 0.000 1.056 563 S CB 0.344 63.542 63.200 -0.004 0.000 0.853 563 S HN 0.862 nan 8.310 nan 0.000 0.505 564 A N 4.833 127.650 122.820 -0.006 0.000 1.948 564 A HA 0.017 4.336 4.320 -0.001 0.000 0.220 564 A C 2.403 179.993 177.584 0.010 0.000 1.177 564 A CA 2.116 54.152 52.037 -0.001 0.000 0.636 564 A CB -1.461 17.537 19.000 -0.003 0.000 0.815 564 A HN 1.328 nan 8.150 nan 0.000 0.449 565 A N -0.424 122.403 122.820 0.012 0.000 1.929 565 A HA -0.060 4.259 4.320 -0.001 0.000 0.216 565 A C 1.754 179.360 177.584 0.036 0.000 1.176 565 A CA 1.680 53.729 52.037 0.021 0.000 0.628 565 A CB -0.520 18.490 19.000 0.016 0.000 0.816 565 A HN 0.433 nan 8.150 nan 0.000 0.444 566 D N 0.411 120.832 120.400 0.035 0.000 2.103 566 D HA -0.175 4.465 4.640 -0.001 0.000 0.190 566 D C 1.750 178.103 176.300 0.089 0.000 0.997 566 D CA 1.592 55.626 54.000 0.056 0.000 0.833 566 D CB -0.391 40.425 40.800 0.026 0.000 0.961 566 D HN 0.499 nan 8.370 nan 0.000 0.447 567 I N 1.011 121.611 120.570 0.049 0.000 2.264 567 I HA -0.231 3.938 4.170 -0.001 0.000 0.248 567 I C 2.108 178.303 176.117 0.129 0.000 1.111 567 I CA 1.074 62.409 61.300 0.059 0.000 1.382 567 I CB -0.212 37.789 38.000 0.002 0.000 1.060 567 I HN -0.026 nan 8.210 nan 0.000 0.418 568 E N 1.044 121.296 120.200 0.087 0.000 2.107 568 E HA -0.091 4.259 4.350 -0.001 0.000 0.191 568 E C 2.332 178.984 176.600 0.087 0.000 0.982 568 E CA 1.270 57.716 56.400 0.078 0.000 0.809 568 E CB -0.482 29.244 29.700 0.043 0.000 0.756 568 E HN 0.500 nan 8.360 nan 0.000 0.459 569 A N 1.231 124.106 122.820 0.093 0.000 1.858 569 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 569 A C 2.126 179.766 177.584 0.093 0.000 1.190 569 A CA 1.241 53.320 52.037 0.071 0.000 0.617 569 A CB -0.962 18.081 19.000 0.071 0.000 0.827 569 A HN 0.234 nan 8.150 nan 0.000 0.443 570 F N 0.933 120.910 119.950 0.044 0.000 2.043 570 F HA -0.286 4.241 4.527 -0.001 0.000 0.297 570 F C 2.268 178.148 175.800 0.133 0.000 1.118 570 F CA 2.563 60.642 58.000 0.131 0.000 1.202 570 F CB -0.253 38.832 39.000 0.142 0.000 0.965 570 F HN 0.152 nan 8.300 nan 0.000 0.482 571 K N -0.362 120.204 120.400 0.277 0.000 2.103 571 K HA -0.258 4.061 4.320 -0.001 0.000 0.207 571 K C 2.253 178.870 176.600 0.028 0.000 1.048 571 K CA 1.704 58.084 56.287 0.155 0.000 0.930 571 K CB -0.423 32.169 32.500 0.154 0.000 0.716 571 K HN 0.457 nan 8.250 nan 0.000 0.444 572 Q N 0.956 120.754 119.800 -0.003 0.000 2.020 572 Q HA -0.190 4.149 4.340 -0.001 0.000 0.202 572 Q C 2.326 178.253 176.000 -0.120 0.000 0.982 572 Q CA 1.449 57.228 55.803 -0.040 0.000 0.838 572 Q CB -0.017 28.702 28.738 -0.032 0.000 0.899 572 Q HN 0.233 nan 8.270 nan 0.000 0.423 573 R N -0.696 119.653 120.500 -0.253 0.000 2.083 573 R HA -0.183 4.156 4.340 -0.001 0.000 0.237 573 R C 1.277 177.232 176.300 -0.576 0.000 1.137 573 R CA 1.810 57.619 56.100 -0.485 0.000 0.951 573 R CB -0.150 29.694 30.300 -0.760 0.000 0.851 573 R HN 0.293 nan 8.270 nan 0.000 0.434 574 Y N 0.558 120.744 120.300 -0.190 0.000 2.468 574 Y HA 0.226 4.776 4.550 -0.001 0.000 0.268 574 Y C -0.173 175.756 175.900 0.048 0.000 1.177 574 Y CA -0.031 57.993 58.100 -0.127 0.000 1.265 574 Y CB 0.166 38.422 38.460 -0.339 0.000 1.103 574 Y HN 0.163 nan 8.280 nan 0.000 0.522 575 E N -0.541 119.720 120.200 0.102 0.000 2.440 575 E HA -0.250 4.100 4.350 -0.001 0.000 0.246 575 E C 0.474 177.245 176.600 0.285 0.000 1.165 575 E CA 0.392 56.879 56.400 0.145 0.000 0.726 575 E CB -1.275 28.486 29.700 0.102 0.000 1.271 575 E HN 0.486 nan 8.360 nan 0.000 0.397 576 A N 0.563 123.483 122.820 0.166 0.000 2.833 576 A HA 0.217 4.536 4.320 -0.001 0.000 0.293 576 A C 1.299 178.925 177.584 0.070 0.000 1.338 576 A CA -0.272 51.783 52.037 0.031 0.000 0.959 576 A CB 0.242 19.187 19.000 -0.092 0.000 1.094 576 A HN 0.175 nan 8.150 nan 0.000 0.569 577 Q N -0.010 119.848 119.800 0.097 0.000 2.230 577 Q HA -0.094 4.246 4.340 -0.001 0.000 0.202 577 Q C 0.542 176.580 176.000 0.063 0.000 0.963 577 Q CA 1.601 57.448 55.803 0.073 0.000 0.866 577 Q CB 0.121 28.895 28.738 0.060 0.000 0.931 577 Q HN 0.549 nan 8.270 nan 0.000 0.452 578 D N -0.727 119.722 120.400 0.081 0.000 2.339 578 D HA 0.067 4.706 4.640 -0.001 0.000 0.217 578 D C -0.239 176.107 176.300 0.077 0.000 1.050 578 D CA 0.127 54.173 54.000 0.076 0.000 0.856 578 D CB 0.304 41.159 40.800 0.091 0.000 0.922 578 D HN 0.194 nan 8.370 nan 0.000 0.518 579 L N 1.768 123.021 121.223 0.049 0.000 2.410 579 L HA 0.090 4.429 4.340 -0.001 0.000 0.273 579 L C 0.217 177.107 176.870 0.033 0.000 1.144 579 L CA -0.010 54.852 54.840 0.037 0.000 0.863 579 L CB 0.635 42.649 42.059 -0.076 0.000 1.140 579 L HN -0.189 nan 8.230 nan 0.000 0.463 580 Q N 5.351 125.188 119.800 0.062 0.000 2.312 580 Q HA 0.464 4.803 4.340 -0.001 0.000 0.263 580 Q C -2.273 173.715 176.000 -0.019 0.000 0.995 580 Q CA -2.155 53.620 55.803 -0.046 0.000 0.853 580 Q CB 1.646 30.240 28.738 -0.240 0.000 1.300 580 Q HN 0.336 nan 8.270 nan 0.000 0.448 581 P HA -0.039 nan 4.420 nan 0.000 0.270 581 P C 0.776 178.051 177.300 -0.041 0.000 1.223 581 P CA -0.302 62.752 63.100 -0.077 0.000 0.785 581 P CB 0.855 32.491 31.700 -0.107 0.000 0.923 582 L N 2.499 123.727 121.223 0.009 0.000 2.131 582 L HA -0.192 4.147 4.340 -0.001 0.000 0.210 582 L C 2.387 179.297 176.870 0.066 0.000 1.092 582 L CA 2.471 57.369 54.840 0.097 0.000 0.759 582 L CB -1.474 40.600 42.059 0.025 0.000 0.903 582 L HN 0.452 nan 8.230 nan 0.000 0.435 583 S N -2.207 113.488 115.700 -0.008 0.000 2.374 583 S HA -0.258 4.211 4.470 -0.001 0.000 0.227 583 S C 1.916 176.475 174.600 -0.069 0.000 1.037 583 S CA 1.758 59.947 58.200 -0.019 0.000 1.024 583 S CB -1.482 61.694 63.200 -0.040 0.000 0.861 583 S HN 0.559 nan 8.310 nan 0.000 0.456 584 T N 1.373 115.815 114.554 -0.188 0.000 2.653 584 T HA -0.134 4.215 4.350 -0.001 0.000 0.268 584 T C 1.445 175.977 174.700 -0.280 0.000 1.035 584 T CA 2.073 63.981 62.100 -0.320 0.000 1.154 584 T CB -0.608 67.924 68.868 -0.561 0.000 0.862 584 T HN 0.620 nan 8.240 nan 0.000 0.441 585 Y N 0.763 121.079 120.300 0.027 0.000 2.337 585 Y HA 0.199 4.748 4.550 -0.001 0.000 0.293 585 Y C 2.157 178.167 175.900 0.183 0.000 1.123 585 Y CA 0.043 58.204 58.100 0.102 0.000 1.201 585 Y CB -0.652 37.863 38.460 0.092 0.000 1.011 585 Y HN 0.156 nan 8.280 nan 0.000 0.545 586 L N -0.250 121.115 121.223 0.237 0.000 1.994 586 L HA -0.228 4.111 4.340 -0.001 0.000 0.208 586 L C 2.557 179.517 176.870 0.151 0.000 1.071 586 L CA 1.371 56.340 54.840 0.215 0.000 0.745 586 L CB -0.559 41.600 42.059 0.166 0.000 0.892 586 L HN 0.077 nan 8.230 nan 0.000 0.431 587 K N 0.105 120.541 120.400 0.061 0.000 2.052 587 K HA -0.321 3.998 4.320 -0.001 0.000 0.215 587 K C 2.061 178.648 176.600 -0.022 0.000 1.053 587 K CA 1.993 58.284 56.287 0.006 0.000 0.934 587 K CB -0.343 32.130 32.500 -0.044 0.000 0.717 587 K HN 0.380 nan 8.250 nan 0.000 0.450 588 Q N -0.934 118.826 119.800 -0.067 0.000 2.437 588 Q HA -0.118 4.221 4.340 -0.001 0.000 0.210 588 Q C 0.398 176.079 176.000 -0.531 0.000 0.972 588 Q CA 1.017 56.647 55.803 -0.289 0.000 0.903 588 Q CB 0.208 28.738 28.738 -0.347 0.000 0.967 588 Q HN 0.225 nan 8.270 nan 0.000 0.486 589 F N -2.293 117.694 119.950 0.062 0.000 2.772 589 F HA 0.349 4.875 4.527 -0.001 0.000 0.316 589 F C 1.105 176.945 175.800 0.066 0.000 1.114 589 F CA 0.359 58.398 58.000 0.066 0.000 1.191 589 F CB 1.594 40.641 39.000 0.077 0.000 1.065 589 F HN 0.099 nan 8.300 nan 0.000 0.534 590 G N 0.417 109.313 108.800 0.160 0.000 2.259 590 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.217 590 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.217 590 G C 0.157 175.120 174.900 0.105 0.000 1.001 590 G CA -0.390 44.778 45.100 0.113 0.000 0.627 590 G HN 0.136 nan 8.290 nan 0.000 0.501 591 L N 1.972 123.282 121.223 0.145 0.000 2.417 591 L HA 0.473 4.812 4.340 -0.001 0.000 0.268 591 L C 0.844 177.767 176.870 0.087 0.000 1.158 591 L CA -0.806 54.109 54.840 0.125 0.000 0.819 591 L CB 0.493 42.666 42.059 0.191 0.000 1.112 591 L HN 0.124 nan 8.230 nan 0.000 0.458 592 D N 0.492 120.926 120.400 0.056 0.000 2.231 592 D HA 0.284 4.923 4.640 -0.001 0.000 0.287 592 D C -0.603 175.718 176.300 0.035 0.000 1.160 592 D CA -0.129 53.891 54.000 0.032 0.000 1.089 592 D CB 0.259 41.065 40.800 0.011 0.000 1.158 592 D HN 0.443 nan 8.370 nan 0.000 0.494 593 D N 0.000 120.407 120.400 0.012 0.000 6.856 593 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 593 D CA 0.000 54.005 54.000 0.008 0.000 0.868 593 D CB 0.000 40.801 40.800 0.001 0.000 0.688 593 D HN 0.000 nan 8.370 nan 0.000 0.683