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 2ezt_1_B DATA FIRST_RESID 9 DATA SEQUENCE TNILAGAAVI KVLEAWGVDH LYGIPGGSIN SIMDALSAER DRIHYIQVRH DATA SEQUENCE EEVGAMAAAA DAKLTGKIGV CFGSAGPGGT HLMNGLYDAR EDHVPVLALI DATA SEQUENCE GQFGTTGMNM DTFQEMNENP IYADVADYNV TAVNAATLPH VIDEAIRRAY DATA SEQUENCE AHQGVAVVQI PVDLPWQQIP AEDWYASANS YQTPLLPEPD VQAVTRLTQT DATA SEQUENCE LLAAERPLIY YGIGARKAGK ELEQLSKTLK IPLMSTYPAK GIVADRYPAY DATA SEQUENCE LGSANRVAQK PANEALAQAD VVLFVGNNYP FAEVSKAFKN 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 WIKDEQEDTN 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 0.000 174.737 174.700 0.062 0.000 1.109 9 T CA 0.000 62.129 62.100 0.048 0.000 1.349 9 T CB 0.000 68.889 68.868 0.034 0.000 0.612 10 N N 0.340 119.077 118.700 0.062 0.000 2.292 10 N HA 0.779 5.518 4.740 -0.000 0.000 0.303 10 N C -1.642 173.914 175.510 0.077 0.000 1.140 10 N CA -0.682 52.409 53.050 0.069 0.000 0.788 10 N CB 2.724 41.241 38.487 0.051 0.000 1.361 10 N HN 0.363 nan 8.380 nan 0.000 0.489 11 I N 1.381 122.000 120.570 0.080 0.000 2.769 11 I HA 0.360 4.530 4.170 -0.000 0.000 0.298 11 I C -1.205 174.920 176.117 0.014 0.000 1.128 11 I CA -0.808 60.525 61.300 0.055 0.000 1.031 11 I CB 1.656 39.707 38.000 0.086 0.000 1.235 11 I HN 0.366 nan 8.210 nan 0.000 0.423 12 L N 6.051 127.270 121.223 -0.007 0.000 2.416 12 L HA 0.223 4.562 4.340 -0.000 0.000 0.272 12 L C 1.491 178.307 176.870 -0.089 0.000 1.161 12 L CA 0.083 54.914 54.840 -0.014 0.000 0.845 12 L CB 1.275 43.344 42.059 0.016 0.000 1.119 12 L HN 0.846 nan 8.230 nan 0.000 0.464 13 A N 3.440 126.211 122.820 -0.083 0.000 1.940 13 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 13 A C 2.138 179.597 177.584 -0.209 0.000 1.176 13 A CA 1.836 53.789 52.037 -0.140 0.000 0.631 13 A CB -0.933 18.013 19.000 -0.090 0.000 0.814 13 A HN 0.989 nan 8.150 nan 0.000 0.446 14 G N -0.458 108.222 108.800 -0.201 0.000 2.440 14 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.218 14 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.218 14 G C 1.760 176.512 174.900 -0.246 0.000 1.154 14 G CA 1.497 46.447 45.100 -0.250 0.000 0.767 14 G HN 0.826 nan 8.290 nan 0.000 0.552 15 A N 1.145 123.841 122.820 -0.207 0.000 1.902 15 A HA 0.236 4.555 4.320 -0.000 0.000 0.217 15 A C 2.814 180.197 177.584 -0.335 0.000 1.181 15 A CA 2.320 54.235 52.037 -0.204 0.000 0.623 15 A CB -0.767 18.157 19.000 -0.126 0.000 0.818 15 A HN 0.819 nan 8.150 nan 0.000 0.443 16 A N -0.633 121.890 122.820 -0.495 0.000 1.933 16 A HA 0.022 4.341 4.320 -0.000 0.000 0.218 16 A C 2.215 179.342 177.584 -0.760 0.000 1.175 16 A CA 1.686 53.133 52.037 -0.982 0.000 0.628 16 A CB -0.882 17.406 19.000 -1.187 0.000 0.814 16 A HN 0.379 nan 8.150 nan 0.000 0.444 17 V N 0.700 120.347 119.914 -0.444 0.000 2.343 17 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 17 V C 2.403 178.352 176.094 -0.240 0.000 1.051 17 V CA 1.828 63.950 62.300 -0.297 0.000 1.036 17 V CB -0.661 31.019 31.823 -0.239 0.000 0.654 17 V HN 0.530 nan 8.190 nan 0.000 0.451 18 I N -0.357 120.068 120.570 -0.240 0.000 2.286 18 I HA -0.132 4.038 4.170 -0.000 0.000 0.248 18 I C 2.402 178.440 176.117 -0.132 0.000 1.115 18 I CA 1.376 62.574 61.300 -0.170 0.000 1.392 18 I CB -1.322 36.583 38.000 -0.159 0.000 1.065 18 I HN 0.299 nan 8.210 nan 0.000 0.418 19 K N 0.796 121.078 120.400 -0.197 0.000 2.097 19 K HA -0.036 4.284 4.320 -0.000 0.000 0.206 19 K C 2.302 178.923 176.600 0.036 0.000 1.049 19 K CA 0.753 56.986 56.287 -0.089 0.000 0.933 19 K CB -0.752 31.661 32.500 -0.145 0.000 0.717 19 K HN 0.210 nan 8.250 nan 0.000 0.442 20 V N 2.045 121.933 119.914 -0.043 0.000 2.295 20 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 20 V C 2.467 178.698 176.094 0.228 0.000 1.049 20 V CA 1.522 63.923 62.300 0.169 0.000 1.024 20 V CB -0.524 31.362 31.823 0.105 0.000 0.648 20 V HN 0.188 nan 8.190 nan 0.000 0.447 21 L N -0.336 120.938 121.223 0.085 0.000 2.042 21 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 21 L C 2.592 179.527 176.870 0.108 0.000 1.076 21 L CA 1.889 56.777 54.840 0.080 0.000 0.749 21 L CB -0.723 41.324 42.059 -0.020 0.000 0.893 21 L HN 0.410 nan 8.230 nan 0.000 0.432 22 E N 0.123 120.360 120.200 0.062 0.000 2.106 22 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 22 E C 2.325 178.967 176.600 0.069 0.000 0.984 22 E CA 1.040 57.467 56.400 0.046 0.000 0.806 22 E CB -0.170 29.542 29.700 0.019 0.000 0.750 22 E HN 0.493 nan 8.360 nan 0.000 0.458 23 A N 0.653 123.531 122.820 0.097 0.000 1.908 23 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 23 A C 1.474 179.016 177.584 -0.070 0.000 1.181 23 A CA 1.126 53.171 52.037 0.013 0.000 0.627 23 A CB -0.926 18.084 19.000 0.016 0.000 0.818 23 A HN 0.378 nan 8.150 nan 0.000 0.445 24 W N -0.928 120.376 121.300 0.007 0.000 3.077 24 W HA 0.356 5.016 4.660 -0.000 0.000 0.245 24 W C 1.592 178.093 176.519 -0.031 0.000 1.316 24 W CA 0.840 58.176 57.345 -0.015 0.000 1.537 24 W CB -0.054 29.409 29.460 0.006 0.000 1.131 24 W HN 0.594 nan 8.180 nan 0.000 0.695 25 G N 0.052 108.932 108.800 0.132 0.000 2.143 25 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.248 25 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.248 25 G C 0.039 174.965 174.900 0.043 0.000 0.991 25 G CA -0.044 45.095 45.100 0.065 0.000 0.689 25 G HN 0.020 nan 8.290 nan 0.000 0.522 26 V N 0.961 120.902 119.914 0.044 0.000 2.434 26 V HA 0.181 4.301 4.120 -0.000 0.000 0.281 26 V C 1.547 177.599 176.094 -0.070 0.000 1.005 26 V CA 1.354 63.628 62.300 -0.043 0.000 1.089 26 V CB 1.080 32.872 31.823 -0.052 0.000 0.978 26 V HN 0.539 nan 8.190 nan 0.000 0.474 27 D N 3.358 123.697 120.400 -0.101 0.000 2.183 27 D HA -0.024 4.616 4.640 -0.000 0.000 0.205 27 D C 0.730 177.064 176.300 0.057 0.000 0.962 27 D CA 0.875 54.880 54.000 0.009 0.000 0.849 27 D CB 0.336 41.203 40.800 0.113 0.000 0.978 27 D HN 0.817 nan 8.370 nan 0.000 0.488 28 H N -1.359 117.668 119.070 -0.071 0.000 3.046 28 H HA 0.490 5.046 4.556 -0.000 0.000 0.361 28 H C -0.968 174.179 175.328 -0.301 0.000 1.235 28 H CA -1.171 54.777 56.048 -0.167 0.000 1.146 28 H CB 0.718 30.352 29.762 -0.213 0.000 1.859 28 H HN 0.107 nan 8.280 nan 0.000 0.548 29 L N -0.374 120.683 121.223 -0.277 0.000 2.469 29 L HA 0.711 5.051 4.340 -0.000 0.000 0.256 29 L C -2.052 174.610 176.870 -0.346 0.000 1.006 29 L CA -1.171 53.489 54.840 -0.299 0.000 0.832 29 L CB 2.607 44.678 42.059 0.019 0.000 1.421 29 L HN 0.503 nan 8.230 nan 0.000 0.410 30 Y N 0.245 120.566 120.300 0.035 0.000 2.485 30 Y HA 0.972 5.522 4.550 0.000 0.000 0.345 30 Y C 0.635 176.258 175.900 -0.462 0.000 0.998 30 Y CA -0.129 57.890 58.100 -0.136 0.000 1.059 30 Y CB 2.399 40.778 38.460 -0.136 0.000 1.234 30 Y HN 1.046 nan 8.280 nan 0.000 0.461 31 G N 1.160 109.725 108.800 -0.391 0.000 2.321 31 G HA2 0.500 4.460 3.960 -0.000 0.000 0.296 31 G HA3 0.500 4.460 3.960 -0.000 0.000 0.296 31 G C -2.245 172.491 174.900 -0.273 0.000 1.287 31 G CA -0.919 43.622 45.100 -0.932 0.000 0.846 31 G HN 0.503 nan 8.290 nan 0.000 0.508 32 I N 2.130 122.616 120.570 -0.141 0.000 2.498 32 I HA 0.400 4.570 4.170 -0.000 0.000 0.290 32 I C -2.118 174.214 176.117 0.357 0.000 1.032 32 I CA -2.042 59.369 61.300 0.185 0.000 1.073 32 I CB 2.957 41.023 38.000 0.110 0.000 1.251 32 I HN 0.298 nan 8.210 nan 0.000 0.426 33 P HA 0.417 nan 4.420 nan 0.000 0.276 33 P C -0.463 176.935 177.300 0.163 0.000 1.252 33 P CA -0.079 63.173 63.100 0.254 0.000 0.802 33 P CB 1.493 33.283 31.700 0.150 0.000 1.035 34 G N -1.332 107.529 108.800 0.102 0.000 2.623 34 G HA2 0.446 4.406 3.960 -0.000 0.000 0.290 34 G HA3 0.446 4.406 3.960 -0.000 0.000 0.290 34 G C 0.704 175.628 174.900 0.040 0.000 1.437 34 G CA -0.132 45.017 45.100 0.082 0.000 0.798 34 G HN 0.463 nan 8.290 nan 0.000 0.488 35 G N 0.079 108.910 108.800 0.051 0.000 2.440 35 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.218 35 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.218 35 G C 2.045 176.926 174.900 -0.032 0.000 1.154 35 G CA 2.294 47.409 45.100 0.024 0.000 0.767 35 G HN 1.534 nan 8.290 nan 0.000 0.552 36 S N -0.649 115.038 115.700 -0.023 0.000 2.547 36 S HA 0.169 4.639 4.470 -0.000 0.000 0.235 36 S C 1.590 176.125 174.600 -0.108 0.000 0.980 36 S CA 0.794 58.960 58.200 -0.058 0.000 0.941 36 S CB 0.034 63.243 63.200 0.016 0.000 0.763 36 S HN 0.341 nan 8.310 nan 0.000 0.532 37 I N 0.173 120.667 120.570 -0.127 0.000 3.994 37 I HA 0.310 4.480 4.170 -0.000 0.000 0.323 37 I C 0.599 176.522 176.117 -0.322 0.000 1.501 37 I CA -0.121 61.040 61.300 -0.232 0.000 1.112 37 I CB 0.376 38.264 38.000 -0.186 0.000 1.254 37 I HN 0.004 nan 8.210 nan 0.000 0.495 38 N N 0.626 119.163 118.700 -0.271 0.000 2.459 38 N HA -0.099 4.641 4.740 -0.000 0.000 0.181 38 N C 1.975 177.185 175.510 -0.500 0.000 1.046 38 N CA 1.500 54.410 53.050 -0.233 0.000 0.904 38 N CB 0.117 38.619 38.487 0.025 0.000 0.964 38 N HN 0.507 nan 8.380 nan 0.000 0.444 39 S N -0.071 115.004 115.700 -1.042 0.000 2.414 39 S HA 0.047 4.517 4.470 -0.000 0.000 0.227 39 S C 1.901 176.003 174.600 -0.829 0.000 1.022 39 S CA 0.245 57.493 58.200 -1.586 0.000 0.958 39 S CB -0.080 61.793 63.200 -2.211 0.000 0.797 39 S HN 0.044 nan 8.310 nan 0.000 0.493 40 I N 2.003 122.193 120.570 -0.634 0.000 2.252 40 I HA -0.056 4.114 4.170 -0.000 0.000 0.245 40 I C 2.438 178.257 176.117 -0.497 0.000 1.102 40 I CA 1.189 62.176 61.300 -0.522 0.000 1.385 40 I CB -1.124 36.553 38.000 -0.538 0.000 1.064 40 I HN 0.298 nan 8.210 nan 0.000 0.414 41 M N 0.050 119.348 119.600 -0.504 0.000 2.106 41 M HA -0.247 4.233 4.480 -0.000 0.000 0.259 41 M C 1.964 178.111 176.300 -0.256 0.000 1.068 41 M CA 1.640 56.698 55.300 -0.404 0.000 1.100 41 M CB -1.515 30.907 32.600 -0.297 0.000 1.351 41 M HN 0.171 nan 8.290 nan 0.000 0.404 42 D N 0.067 120.346 120.400 -0.202 0.000 2.117 42 D HA -0.037 4.603 4.640 -0.000 0.000 0.197 42 D C 1.935 178.183 176.300 -0.085 0.000 0.987 42 D CA 1.645 55.613 54.000 -0.054 0.000 0.829 42 D CB 0.084 40.963 40.800 0.131 0.000 0.961 42 D HN 0.310 nan 8.370 nan 0.000 0.460 43 A N 0.090 122.806 122.820 -0.173 0.000 1.930 43 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 43 A C 2.459 179.958 177.584 -0.142 0.000 1.175 43 A CA 0.806 52.751 52.037 -0.153 0.000 0.627 43 A CB -0.731 18.146 19.000 -0.205 0.000 0.815 43 A HN 0.313 nan 8.150 nan 0.000 0.443 44 L N -0.764 120.346 121.223 -0.188 0.000 2.083 44 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 44 L C 2.876 179.694 176.870 -0.088 0.000 1.083 44 L CA 1.469 56.213 54.840 -0.159 0.000 0.752 44 L CB -0.370 41.541 42.059 -0.247 0.000 0.899 44 L HN 0.464 nan 8.230 nan 0.000 0.433 45 S N -0.470 115.182 115.700 -0.081 0.000 2.399 45 S HA -0.137 4.333 4.470 -0.000 0.000 0.231 45 S C 1.980 176.579 174.600 -0.002 0.000 1.022 45 S CA 1.166 59.354 58.200 -0.021 0.000 0.983 45 S CB -0.050 63.142 63.200 -0.012 0.000 0.803 45 S HN 0.461 nan 8.310 nan 0.000 0.480 46 A N 0.196 123.005 122.820 -0.017 0.000 2.167 46 A HA 0.150 4.470 4.320 -0.000 0.000 0.214 46 A C 1.443 179.020 177.584 -0.011 0.000 1.151 46 A CA 0.668 52.700 52.037 -0.007 0.000 0.735 46 A CB -0.024 18.971 19.000 -0.010 0.000 0.802 46 A HN 0.409 nan 8.150 nan 0.000 0.467 47 E N -0.603 119.582 120.200 -0.025 0.000 2.685 47 E HA 0.155 4.505 4.350 -0.000 0.000 0.208 47 E C 0.923 177.502 176.600 -0.036 0.000 0.996 47 E CA -0.156 56.223 56.400 -0.035 0.000 1.054 47 E CB 0.131 29.794 29.700 -0.062 0.000 1.075 47 E HN 0.549 nan 8.360 nan 0.000 0.460 48 R N 0.335 120.839 120.500 0.006 0.000 2.159 48 R HA -0.151 4.189 4.340 -0.000 0.000 0.237 48 R C 1.602 177.927 176.300 0.042 0.000 1.131 48 R CA 1.446 57.573 56.100 0.045 0.000 0.982 48 R CB 0.062 30.419 30.300 0.096 0.000 0.868 48 R HN 0.043 nan 8.270 nan 0.000 0.453 49 D N -0.042 120.373 120.400 0.025 0.000 2.234 49 D HA -0.058 4.582 4.640 -0.000 0.000 0.205 49 D C 1.585 177.874 176.300 -0.018 0.000 0.962 49 D CA 0.968 55.000 54.000 0.054 0.000 0.855 49 D CB 0.320 41.149 40.800 0.049 0.000 0.951 49 D HN 0.053 nan 8.370 nan 0.000 0.500 50 R N -0.876 119.556 120.500 -0.114 0.000 2.254 50 R HA 0.378 4.718 4.340 -0.000 0.000 0.193 50 R C 0.037 176.148 176.300 -0.314 0.000 0.929 50 R CA 0.017 56.030 56.100 -0.145 0.000 1.038 50 R CB 1.365 31.625 30.300 -0.067 0.000 1.009 50 R HN 0.159 nan 8.270 nan 0.000 0.512 51 I N 0.758 121.070 120.570 -0.429 0.000 2.607 51 I HA 0.219 4.389 4.170 -0.000 0.000 0.290 51 I C -1.447 174.399 176.117 -0.451 0.000 1.129 51 I CA -0.931 60.115 61.300 -0.423 0.000 1.042 51 I CB 1.776 39.673 38.000 -0.171 0.000 1.242 51 I HN 0.116 nan 8.210 nan 0.000 0.421 52 H N 6.607 125.705 119.070 0.048 0.000 2.641 52 H HA 0.231 4.787 4.556 -0.000 0.000 0.295 52 H C -1.176 174.175 175.328 0.038 0.000 1.070 52 H CA -0.401 55.675 56.048 0.046 0.000 1.257 52 H CB 0.708 30.476 29.762 0.011 0.000 1.393 52 H HN 0.439 nan 8.280 nan 0.000 0.464 53 Y N 4.841 125.170 120.300 0.048 0.000 2.359 53 Y HA 0.232 4.782 4.550 -0.000 0.000 0.334 53 Y C -0.895 174.979 175.900 -0.044 0.000 1.058 53 Y CA -1.182 56.932 58.100 0.022 0.000 1.244 53 Y CB 0.453 38.969 38.460 0.094 0.000 1.187 53 Y HN 0.499 nan 8.280 nan 0.000 0.510 54 I N 7.498 127.607 120.570 -0.768 0.000 2.330 54 I HA 0.164 4.334 4.170 -0.000 0.000 0.286 54 I C -0.201 175.405 176.117 -0.852 0.000 1.025 54 I CA -0.665 60.087 61.300 -0.914 0.000 1.197 54 I CB 1.123 38.709 38.000 -0.690 0.000 1.358 54 I HN 0.639 nan 8.210 nan 0.000 0.467 55 Q N 7.132 126.534 119.800 -0.662 0.000 2.307 55 Q HA 0.301 4.641 4.340 -0.000 0.000 0.261 55 Q C -0.605 175.411 176.000 0.026 0.000 1.051 55 Q CA -0.183 55.464 55.803 -0.260 0.000 0.911 55 Q CB 1.341 30.095 28.738 0.026 0.000 1.227 55 Q HN 0.609 nan 8.270 nan 0.000 0.418 56 V N 2.972 122.898 119.914 0.019 0.000 3.262 56 V HA 0.456 4.576 4.120 -0.000 0.000 0.313 56 V C 0.783 176.921 176.094 0.074 0.000 1.070 56 V CA -0.647 61.687 62.300 0.058 0.000 1.049 56 V CB 1.306 33.145 31.823 0.027 0.000 1.157 56 V HN 0.708 nan 8.190 nan 0.000 0.454 57 R N -0.500 120.047 120.500 0.078 0.000 2.290 57 R HA 0.303 4.643 4.340 -0.000 0.000 0.197 57 R C 0.223 176.595 176.300 0.120 0.000 0.913 57 R CA 0.438 56.590 56.100 0.087 0.000 1.040 57 R CB -0.467 29.877 30.300 0.074 0.000 0.992 57 R HN 0.941 nan 8.270 nan 0.000 0.500 58 H N -0.045 119.018 119.070 -0.012 0.000 3.026 58 H HA 0.176 4.732 4.556 -0.000 0.000 0.352 58 H C -0.264 175.029 175.328 -0.059 0.000 1.090 58 H CA -0.213 55.803 56.048 -0.054 0.000 1.268 58 H CB 1.641 31.320 29.762 -0.138 0.000 1.816 58 H HN -0.199 nan 8.280 nan 0.000 0.518 59 E N 2.167 122.409 120.200 0.070 0.000 2.333 59 E HA -0.164 4.186 4.350 -0.000 0.000 0.198 59 E C 1.729 178.415 176.600 0.143 0.000 1.007 59 E CA 1.175 57.632 56.400 0.094 0.000 0.845 59 E CB 0.217 29.975 29.700 0.096 0.000 0.766 59 E HN 0.771 nan 8.360 nan 0.000 0.507 60 E N 0.516 120.894 120.200 0.297 0.000 2.150 60 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 60 E C 1.774 178.367 176.600 -0.013 0.000 0.985 60 E CA 1.151 57.616 56.400 0.109 0.000 0.814 60 E CB -0.174 29.533 29.700 0.012 0.000 0.752 60 E HN 0.118 nan 8.360 nan 0.000 0.466 61 V N 1.649 121.542 119.914 -0.035 0.000 2.407 61 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 61 V C 2.524 178.484 176.094 -0.222 0.000 1.055 61 V CA 1.931 64.164 62.300 -0.111 0.000 1.049 61 V CB -0.898 30.877 31.823 -0.080 0.000 0.662 61 V HN 0.561 nan 8.190 nan 0.000 0.455 62 G N -0.374 108.317 108.800 -0.181 0.000 2.418 62 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 62 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 62 G C 1.769 176.511 174.900 -0.264 0.000 1.158 62 G CA 1.013 45.947 45.100 -0.277 0.000 0.771 62 G HN 0.598 nan 8.290 nan 0.000 0.545 63 A N 0.482 123.234 122.820 -0.114 0.000 1.898 63 A HA 0.081 4.401 4.320 -0.000 0.000 0.216 63 A C 2.461 179.983 177.584 -0.103 0.000 1.181 63 A CA 1.755 53.751 52.037 -0.068 0.000 0.620 63 A CB -0.341 18.660 19.000 0.001 0.000 0.819 63 A HN 0.373 nan 8.150 nan 0.000 0.442 64 M N -0.581 118.950 119.600 -0.115 0.000 2.132 64 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 64 M C 2.469 178.671 176.300 -0.163 0.000 1.065 64 M CA 1.406 56.645 55.300 -0.101 0.000 1.122 64 M CB -0.304 32.251 32.600 -0.075 0.000 1.365 64 M HN 0.476 nan 8.290 nan 0.000 0.411 65 A N 0.135 122.752 122.820 -0.338 0.000 1.969 65 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 65 A C 2.327 179.740 177.584 -0.285 0.000 1.169 65 A CA 1.664 53.426 52.037 -0.459 0.000 0.635 65 A CB -0.824 17.571 19.000 -1.008 0.000 0.810 65 A HN 0.485 nan 8.150 nan 0.000 0.445 66 A N -0.029 122.650 122.820 -0.234 0.000 1.933 66 A HA 0.172 4.492 4.320 -0.000 0.000 0.218 66 A C 2.476 180.062 177.584 0.004 0.000 1.175 66 A CA 1.968 54.044 52.037 0.065 0.000 0.628 66 A CB -0.918 18.134 19.000 0.087 0.000 0.814 66 A HN 0.986 nan 8.150 nan 0.000 0.444 67 A N -0.136 122.658 122.820 -0.044 0.000 1.898 67 A HA 0.191 4.511 4.320 -0.000 0.000 0.216 67 A C 2.503 180.075 177.584 -0.020 0.000 1.181 67 A CA 1.990 54.002 52.037 -0.042 0.000 0.620 67 A CB -0.996 17.975 19.000 -0.048 0.000 0.819 67 A HN 1.027 nan 8.150 nan 0.000 0.442 68 A N 0.011 122.824 122.820 -0.011 0.000 1.902 68 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 68 A C 1.791 179.413 177.584 0.064 0.000 1.181 68 A CA 1.840 53.891 52.037 0.022 0.000 0.623 68 A CB -0.648 18.364 19.000 0.020 0.000 0.818 68 A HN 0.466 nan 8.150 nan 0.000 0.443 69 D N 0.190 120.646 120.400 0.093 0.000 2.126 69 D HA -0.196 4.444 4.640 -0.000 0.000 0.190 69 D C 2.233 178.568 176.300 0.059 0.000 1.001 69 D CA 1.986 56.053 54.000 0.113 0.000 0.841 69 D CB -0.470 40.403 40.800 0.121 0.000 0.949 69 D HN 0.435 nan 8.370 nan 0.000 0.446 70 A N 0.725 123.556 122.820 0.019 0.000 1.930 70 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 70 A C 2.091 179.691 177.584 0.026 0.000 1.175 70 A CA 1.457 53.495 52.037 0.002 0.000 0.627 70 A CB -0.327 18.643 19.000 -0.050 0.000 0.815 70 A HN 0.162 nan 8.150 nan 0.000 0.443 71 K N -0.394 120.015 120.400 0.016 0.000 2.063 71 K HA -0.085 4.235 4.320 -0.000 0.000 0.208 71 K C 1.816 178.449 176.600 0.056 0.000 1.048 71 K CA 1.563 57.858 56.287 0.014 0.000 0.928 71 K CB -0.364 32.132 32.500 -0.007 0.000 0.713 71 K HN 0.473 nan 8.250 nan 0.000 0.442 72 L N 0.028 121.311 121.223 0.099 0.000 2.072 72 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 72 L C 2.515 179.508 176.870 0.205 0.000 1.079 72 L CA 1.538 56.484 54.840 0.177 0.000 0.752 72 L CB -0.426 41.799 42.059 0.276 0.000 0.906 72 L HN 0.366 nan 8.230 nan 0.000 0.436 73 T N -5.295 109.350 114.554 0.152 0.000 2.971 73 T HA 0.283 4.633 4.350 -0.000 0.000 0.252 73 T C 1.469 176.243 174.700 0.123 0.000 1.022 73 T CA 0.503 62.688 62.100 0.141 0.000 0.980 73 T CB 0.935 69.844 68.868 0.068 0.000 1.044 73 T HN 0.387 nan 8.240 nan 0.000 0.501 74 G N 1.623 110.492 108.800 0.115 0.000 2.179 74 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.260 74 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.260 74 G C -0.065 174.954 174.900 0.198 0.000 0.977 74 G CA 0.263 45.449 45.100 0.144 0.000 0.641 74 G HN 0.683 nan 8.290 nan 0.000 0.533 75 K N 0.024 120.508 120.400 0.141 0.000 2.138 75 K HA 0.602 4.922 4.320 -0.000 0.000 0.263 75 K C 0.654 177.243 176.600 -0.018 0.000 0.965 75 K CA -1.021 55.368 56.287 0.170 0.000 0.868 75 K CB 2.147 34.712 32.500 0.108 0.000 1.083 75 K HN 0.241 nan 8.250 nan 0.000 0.443 76 I N 2.047 122.477 120.570 -0.233 0.000 2.906 76 I HA -0.106 4.064 4.170 -0.000 0.000 0.302 76 I C 0.392 176.377 176.117 -0.220 0.000 1.220 76 I CA 0.659 61.695 61.300 -0.441 0.000 1.441 76 I CB 0.341 37.901 38.000 -0.734 0.000 1.336 76 I HN 0.697 nan 8.210 nan 0.000 0.565 77 G N 6.338 115.035 108.800 -0.171 0.000 2.400 77 G HA2 0.542 4.501 3.960 -0.000 0.000 0.301 77 G HA3 0.542 4.501 3.960 -0.000 0.000 0.301 77 G C -1.112 173.741 174.900 -0.079 0.000 1.154 77 G CA -0.459 44.590 45.100 -0.085 0.000 0.852 77 G HN 0.522 nan 8.290 nan 0.000 0.511 78 V N 0.912 120.813 119.914 -0.021 0.000 2.531 78 V HA 0.541 4.660 4.120 -0.000 0.000 0.301 78 V C 0.219 176.387 176.094 0.124 0.000 1.034 78 V CA -0.763 61.538 62.300 0.000 0.000 0.865 78 V CB 0.857 32.652 31.823 -0.047 0.000 0.995 78 V HN 1.204 nan 8.190 nan 0.000 0.424 79 C N 3.437 122.806 119.300 0.116 0.000 3.213 79 C HA 1.032 5.492 4.460 -0.000 0.000 0.319 79 C C -0.872 174.212 174.990 0.158 0.000 1.386 79 C CA -1.031 58.061 59.018 0.125 0.000 1.494 79 C CB 1.461 29.241 27.740 0.067 0.000 1.905 79 C HN 0.969 nan 8.230 nan 0.000 0.456 80 F N -0.770 119.219 119.950 0.065 0.000 2.668 80 F HA 0.915 5.441 4.527 -0.000 0.000 0.309 80 F C -0.336 175.490 175.800 0.042 0.000 1.117 80 F CA -0.440 57.567 58.000 0.012 0.000 0.951 80 F CB 1.323 40.310 39.000 -0.022 0.000 1.323 80 F HN 1.134 nan 8.300 nan 0.000 0.451 81 G N 0.436 109.377 108.800 0.235 0.000 2.659 81 G HA2 0.559 4.519 3.960 -0.000 0.000 0.296 81 G HA3 0.559 4.519 3.960 -0.000 0.000 0.296 81 G C -1.349 173.670 174.900 0.198 0.000 1.369 81 G CA -0.666 44.538 45.100 0.173 0.000 0.937 81 G HN 1.048 nan 8.290 nan 0.000 0.485 82 S N 0.250 116.050 115.700 0.167 0.000 2.608 82 S HA 0.633 5.103 4.470 -0.000 0.000 0.261 82 S C 0.963 175.606 174.600 0.072 0.000 1.314 82 S CA 0.121 58.387 58.200 0.109 0.000 0.992 82 S CB 1.080 64.341 63.200 0.102 0.000 0.935 82 S HN 1.852 nan 8.310 nan 0.000 0.564 83 A N 0.990 123.845 122.820 0.057 0.000 2.555 83 A HA 0.501 4.821 4.320 -0.000 0.000 0.233 83 A C 1.524 179.125 177.584 0.029 0.000 1.060 83 A CA 0.357 52.427 52.037 0.055 0.000 0.759 83 A CB -1.498 17.545 19.000 0.071 0.000 0.995 83 A HN 2.447 nan 8.150 nan 0.000 0.506 84 G N 2.133 110.950 108.800 0.030 0.000 2.557 84 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.292 84 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.292 84 G C -0.624 174.261 174.900 -0.025 0.000 1.162 84 G CA 0.438 45.528 45.100 -0.017 0.000 0.964 84 G HN 0.873 nan 8.290 nan 0.000 0.541 85 P HA -0.009 nan 4.420 nan 0.000 0.220 85 P C 1.906 179.085 177.300 -0.202 0.000 1.148 85 P CA 2.536 65.525 63.100 -0.184 0.000 0.803 85 P CB -0.658 30.909 31.700 -0.223 0.000 0.782 86 G N 0.522 109.283 108.800 -0.064 0.000 2.404 86 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.215 86 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.215 86 G C 1.884 176.834 174.900 0.084 0.000 1.174 86 G CA 0.889 45.998 45.100 0.016 0.000 0.780 86 G HN 0.358 nan 8.290 nan 0.000 0.537 87 G N 0.572 109.440 108.800 0.113 0.000 2.418 87 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.217 87 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.217 87 G C 1.993 177.068 174.900 0.291 0.000 1.158 87 G CA 2.179 47.405 45.100 0.210 0.000 0.771 87 G HN 0.575 nan 8.290 nan 0.000 0.545 88 T N -2.418 112.244 114.554 0.180 0.000 2.995 88 T HA -0.030 4.320 4.350 -0.000 0.000 0.269 88 T C 1.891 176.711 174.700 0.200 0.000 1.091 88 T CA 1.278 63.457 62.100 0.132 0.000 1.128 88 T CB -0.594 68.285 68.868 0.019 0.000 0.891 88 T HN 0.536 nan 8.240 nan 0.000 0.492 89 H N 0.753 119.883 119.070 0.101 0.000 2.457 89 H HA 0.092 4.648 4.556 -0.000 0.000 0.297 89 H C 1.903 177.332 175.328 0.168 0.000 1.092 89 H CA 0.922 57.047 56.048 0.127 0.000 1.309 89 H CB -0.188 29.574 29.762 0.000 0.000 1.382 89 H HN 0.314 nan 8.280 nan 0.000 0.535 90 L N -0.148 121.237 121.223 0.270 0.000 2.275 90 L HA -0.185 4.155 4.340 -0.000 0.000 0.215 90 L C 2.198 179.183 176.870 0.192 0.000 1.119 90 L CA 0.086 55.041 54.840 0.192 0.000 0.790 90 L CB -0.206 41.947 42.059 0.158 0.000 0.919 90 L HN 0.351 nan 8.230 nan 0.000 0.443 91 M N -0.012 119.732 119.600 0.241 0.000 2.108 91 M HA -0.263 4.217 4.480 -0.000 0.000 0.257 91 M C 1.909 178.380 176.300 0.284 0.000 1.071 91 M CA 1.837 57.306 55.300 0.281 0.000 1.093 91 M CB -1.466 31.293 32.600 0.265 0.000 1.345 91 M HN 0.289 nan 8.290 nan 0.000 0.403 92 N N 0.113 118.958 118.700 0.242 0.000 2.166 92 N HA -0.072 4.667 4.740 -0.000 0.000 0.186 92 N C 1.797 177.425 175.510 0.197 0.000 1.019 92 N CA 1.583 54.812 53.050 0.299 0.000 0.856 92 N CB -0.623 38.013 38.487 0.248 0.000 0.993 92 N HN 0.504 nan 8.380 nan 0.000 0.426 93 G N 0.440 109.304 108.800 0.105 0.000 2.402 93 G HA2 -0.126 3.833 3.960 -0.000 0.000 0.216 93 G HA3 -0.126 3.833 3.960 -0.000 0.000 0.216 93 G C 1.438 176.323 174.900 -0.025 0.000 1.162 93 G CA 0.338 45.457 45.100 0.031 0.000 0.777 93 G HN 0.195 nan 8.290 nan 0.000 0.539 94 L N -1.077 120.133 121.223 -0.022 0.000 2.056 94 L HA -0.052 4.287 4.340 -0.000 0.000 0.207 94 L C 2.674 179.372 176.870 -0.287 0.000 1.078 94 L CA 0.966 55.736 54.840 -0.118 0.000 0.749 94 L CB -0.521 41.495 42.059 -0.072 0.000 0.901 94 L HN 0.165 nan 8.230 nan 0.000 0.433 95 Y N 0.238 120.317 120.300 -0.369 0.000 2.181 95 Y HA -0.293 4.257 4.550 -0.000 0.000 0.288 95 Y C 2.442 177.894 175.900 -0.747 0.000 1.146 95 Y CA 1.793 59.427 58.100 -0.777 0.000 1.164 95 Y CB -0.340 37.190 38.460 -1.550 0.000 0.982 95 Y HN 0.249 nan 8.280 nan 0.000 0.515 96 D N -0.313 119.875 120.400 -0.353 0.000 2.123 96 D HA -0.208 4.432 4.640 -0.000 0.000 0.196 96 D C 2.167 178.417 176.300 -0.083 0.000 0.992 96 D CA 1.415 55.382 54.000 -0.054 0.000 0.833 96 D CB -0.194 40.660 40.800 0.090 0.000 0.954 96 D HN 0.270 nan 8.370 nan 0.000 0.455 97 A N 0.133 122.882 122.820 -0.119 0.000 1.930 97 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 97 A C 2.268 179.785 177.584 -0.111 0.000 1.175 97 A CA 1.427 53.398 52.037 -0.110 0.000 0.627 97 A CB -0.587 18.348 19.000 -0.108 0.000 0.815 97 A HN 0.224 nan 8.150 nan 0.000 0.443 98 R N -0.391 120.013 120.500 -0.160 0.000 2.073 98 R HA -0.141 4.199 4.340 -0.000 0.000 0.234 98 R C 1.867 178.145 176.300 -0.037 0.000 1.134 98 R CA 1.686 57.711 56.100 -0.125 0.000 0.952 98 R CB -0.181 29.980 30.300 -0.232 0.000 0.850 98 R HN 0.443 nan 8.270 nan 0.000 0.433 99 E N 0.499 120.674 120.200 -0.042 0.000 2.107 99 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 99 E C 1.134 177.764 176.600 0.050 0.000 0.982 99 E CA 0.969 57.403 56.400 0.057 0.000 0.809 99 E CB -0.112 29.666 29.700 0.130 0.000 0.756 99 E HN 0.374 nan 8.360 nan 0.000 0.459 100 D N 0.206 120.572 120.400 -0.058 0.000 2.336 100 D HA -0.033 4.607 4.640 -0.000 0.000 0.229 100 D C -0.348 175.583 176.300 -0.615 0.000 1.061 100 D CA 0.254 54.094 54.000 -0.266 0.000 0.875 100 D CB -0.688 40.003 40.800 -0.181 0.000 0.904 100 D HN 0.368 nan 8.370 nan 0.000 0.525 101 H N -2.271 116.802 119.070 0.005 0.000 2.506 101 H HA -0.153 4.403 4.556 -0.000 0.000 0.323 101 H C -0.592 174.739 175.328 0.006 0.000 1.076 101 H CA 0.307 56.359 56.048 0.006 0.000 1.108 101 H CB -2.611 27.166 29.762 0.024 0.000 1.569 101 H HN 0.018 nan 8.280 nan 0.000 0.399 102 V N -2.520 117.370 119.914 -0.039 0.000 2.680 102 V HA 0.732 4.852 4.120 -0.000 0.000 0.309 102 V C -2.313 173.741 176.094 -0.067 0.000 1.052 102 V CA -2.531 59.746 62.300 -0.037 0.000 0.908 102 V CB 2.518 34.299 31.823 -0.070 0.000 1.001 102 V HN 0.280 nan 8.190 nan 0.000 0.431 103 P HA 0.315 nan 4.420 nan 0.000 0.271 103 P C -0.792 176.359 177.300 -0.248 0.000 1.233 103 P CA 0.117 63.073 63.100 -0.239 0.000 0.764 103 P CB 1.378 32.792 31.700 -0.476 0.000 0.825 104 V N 5.152 124.941 119.914 -0.209 0.000 2.686 104 V HA 0.271 4.391 4.120 -0.000 0.000 0.306 104 V C -0.176 175.815 176.094 -0.171 0.000 1.065 104 V CA -0.850 61.346 62.300 -0.172 0.000 0.894 104 V CB 2.307 34.062 31.823 -0.113 0.000 1.004 104 V HN 0.384 nan 8.190 nan 0.000 0.424 105 L N 4.576 125.700 121.223 -0.166 0.000 2.282 105 L HA 0.907 5.247 4.340 -0.000 0.000 0.288 105 L C 0.122 176.941 176.870 -0.085 0.000 1.033 105 L CA 0.011 54.767 54.840 -0.140 0.000 0.807 105 L CB 1.147 43.104 42.059 -0.171 0.000 1.209 105 L HN 0.804 nan 8.230 nan 0.000 0.423 106 A N 6.570 129.336 122.820 -0.089 0.000 2.330 106 A HA 0.712 5.032 4.320 -0.000 0.000 0.313 106 A C -1.176 176.349 177.584 -0.099 0.000 1.124 106 A CA -0.566 51.425 52.037 -0.076 0.000 0.774 106 A CB 0.656 19.587 19.000 -0.115 0.000 1.198 106 A HN 0.706 nan 8.150 nan 0.000 0.465 107 L N 3.762 124.968 121.223 -0.028 0.000 2.295 107 L HA 0.500 4.840 4.340 -0.000 0.000 0.285 107 L C -0.703 176.143 176.870 -0.040 0.000 1.035 107 L CA -0.681 54.127 54.840 -0.053 0.000 0.806 107 L CB 1.299 43.335 42.059 -0.039 0.000 1.214 107 L HN 0.485 nan 8.230 nan 0.000 0.426 108 I N 2.309 122.805 120.570 -0.123 0.000 2.378 108 I HA 0.338 4.508 4.170 -0.000 0.000 0.291 108 I C 0.858 176.938 176.117 -0.061 0.000 0.992 108 I CA -0.336 60.903 61.300 -0.102 0.000 1.154 108 I CB 1.318 39.185 38.000 -0.222 0.000 1.315 108 I HN 0.584 nan 8.210 nan 0.000 0.448 109 G N 4.446 113.237 108.800 -0.016 0.000 2.559 109 G HA2 0.280 4.240 3.960 -0.000 0.000 0.235 109 G HA3 0.280 4.240 3.960 -0.000 0.000 0.235 109 G C -0.406 174.494 174.900 -0.000 0.000 1.266 109 G CA 0.173 45.257 45.100 -0.028 0.000 0.847 109 G HN 0.618 nan 8.290 nan 0.000 0.583 110 Q N -0.071 119.730 119.800 0.000 0.000 2.391 110 Q HA 0.469 4.809 4.340 -0.000 0.000 0.279 110 Q C -1.076 174.979 176.000 0.092 0.000 1.028 110 Q CA -0.877 54.962 55.803 0.061 0.000 0.836 110 Q CB 1.180 29.945 28.738 0.045 0.000 1.414 110 Q HN 0.442 nan 8.270 nan 0.000 0.397 111 F N 1.381 121.340 119.950 0.014 0.000 2.586 111 F HA 0.448 4.975 4.527 0.000 0.000 0.344 111 F C 1.293 177.109 175.800 0.026 0.000 1.188 111 F CA 1.713 59.733 58.000 0.035 0.000 1.359 111 F CB 0.615 39.642 39.000 0.044 0.000 1.129 111 F HN 0.649 nan 8.300 nan 0.000 0.609 112 G N 1.926 110.807 108.800 0.134 0.000 2.559 112 G HA2 0.155 4.115 3.960 -0.000 0.000 0.235 112 G HA3 0.155 4.115 3.960 -0.000 0.000 0.235 112 G C 0.929 175.966 174.900 0.227 0.000 1.266 112 G CA 0.038 45.226 45.100 0.146 0.000 0.847 112 G HN 0.951 nan 8.290 nan 0.000 0.583 113 T N -1.649 112.983 114.554 0.130 0.000 2.869 113 T HA -0.259 4.091 4.350 -0.000 0.000 0.270 113 T C 2.254 177.019 174.700 0.109 0.000 1.082 113 T CA 2.278 64.440 62.100 0.103 0.000 1.123 113 T CB -0.701 68.206 68.868 0.065 0.000 0.856 113 T HN 0.729 nan 8.240 nan 0.000 0.499 114 T N -1.796 112.841 114.554 0.137 0.000 3.023 114 T HA 0.259 4.609 4.350 -0.000 0.000 0.266 114 T C 2.089 176.870 174.700 0.136 0.000 1.093 114 T CA 0.762 62.935 62.100 0.121 0.000 1.129 114 T CB -0.505 68.434 68.868 0.118 0.000 0.899 114 T HN 0.504 nan 8.240 nan 0.000 0.491 115 G N 0.330 109.266 108.800 0.227 0.000 2.850 115 G HA2 0.370 4.330 3.960 -0.000 0.000 0.211 115 G HA3 0.370 4.330 3.960 -0.000 0.000 0.211 115 G C 0.448 175.284 174.900 -0.106 0.000 1.124 115 G CA -0.594 44.547 45.100 0.068 0.000 0.769 115 G HN 0.411 nan 8.290 nan 0.000 0.535 116 M N 1.386 121.011 119.600 0.042 0.000 2.250 116 M HA 0.103 4.583 4.480 -0.000 0.000 0.337 116 M C 0.522 176.801 176.300 -0.036 0.000 1.161 116 M CA 0.296 55.597 55.300 0.001 0.000 1.088 116 M CB 0.276 32.908 32.600 0.053 0.000 1.639 116 M HN 0.137 nan 8.290 nan 0.000 0.447 117 N N 0.785 119.453 118.700 -0.052 0.000 2.800 117 N HA -0.171 4.569 4.740 -0.000 0.000 0.250 117 N C -0.036 175.436 175.510 -0.063 0.000 1.078 117 N CA 0.823 53.844 53.050 -0.047 0.000 0.804 117 N CB -0.690 37.783 38.487 -0.022 0.000 1.135 117 N HN 0.622 nan 8.380 nan 0.000 0.565 118 M N 0.066 119.602 119.600 -0.107 0.000 2.441 118 M HA 0.067 4.547 4.480 -0.000 0.000 0.244 118 M C -0.166 176.067 176.300 -0.112 0.000 1.122 118 M CA 0.354 55.588 55.300 -0.109 0.000 1.041 118 M CB -0.486 32.031 32.600 -0.139 0.000 1.438 118 M HN -0.013 nan 8.290 nan 0.000 0.484 119 D N 1.550 121.878 120.400 -0.120 0.000 2.705 119 D HA -0.141 4.499 4.640 -0.000 0.000 0.240 119 D C 0.401 176.631 176.300 -0.117 0.000 1.137 119 D CA 0.872 54.811 54.000 -0.102 0.000 0.677 119 D CB -1.089 39.674 40.800 -0.061 0.000 1.049 119 D HN 0.298 nan 8.370 nan 0.000 0.427 120 T N -1.156 113.272 114.554 -0.209 0.000 2.892 120 T HA 0.485 4.834 4.350 -0.000 0.000 0.280 120 T C -0.125 174.521 174.700 -0.091 0.000 1.004 120 T CA -0.751 61.224 62.100 -0.209 0.000 0.950 120 T CB 0.681 69.259 68.868 -0.483 0.000 1.309 120 T HN 0.073 nan 8.240 nan 0.000 0.592 121 F N 2.057 121.953 119.950 -0.090 0.000 2.578 121 F HA 0.201 4.728 4.527 -0.000 0.000 0.381 121 F C 1.377 177.224 175.800 0.078 0.000 1.069 121 F CA 0.618 58.640 58.000 0.036 0.000 1.231 121 F CB -0.113 38.959 39.000 0.120 0.000 1.086 121 F HN 0.876 nan 8.300 nan 0.000 0.564 122 Q N 1.897 121.338 119.800 -0.598 0.000 2.468 122 Q HA -0.296 4.044 4.340 -0.000 0.000 0.256 122 Q C -0.553 175.368 176.000 -0.130 0.000 0.984 122 Q CA 1.214 56.735 55.803 -0.471 0.000 1.110 122 Q CB -0.828 27.515 28.738 -0.658 0.000 1.527 122 Q HN 0.758 nan 8.270 nan 0.000 0.535 123 E N 0.993 121.131 120.200 -0.104 0.000 2.151 123 E HA 0.503 4.853 4.350 -0.000 0.000 0.275 123 E C -0.269 176.288 176.600 -0.072 0.000 0.936 123 E CA -0.230 56.132 56.400 -0.064 0.000 0.777 123 E CB 0.794 30.372 29.700 -0.204 0.000 1.108 123 E HN 0.411 nan 8.360 nan 0.000 0.401 124 M N 2.391 121.972 119.600 -0.033 0.000 2.721 124 M HA 0.415 4.894 4.480 -0.000 0.000 0.271 124 M C -1.113 175.184 176.300 -0.006 0.000 1.259 124 M CA -1.082 54.200 55.300 -0.030 0.000 0.835 124 M CB 1.293 33.872 32.600 -0.034 0.000 1.689 124 M HN 0.163 nan 8.290 nan 0.000 0.470 125 N N 1.559 120.255 118.700 -0.008 0.000 2.399 125 N HA 0.145 4.885 4.740 -0.000 0.000 0.259 125 N C -0.062 175.459 175.510 0.020 0.000 1.160 125 N CA 0.411 53.464 53.050 0.005 0.000 0.946 125 N CB 0.463 38.949 38.487 -0.002 0.000 1.156 125 N HN 0.734 nan 8.380 nan 0.000 0.489 126 E N 2.068 122.298 120.200 0.051 0.000 2.371 126 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 126 E C 1.063 177.754 176.600 0.152 0.000 1.012 126 E CA -0.001 56.465 56.400 0.110 0.000 0.860 126 E CB 0.096 29.889 29.700 0.155 0.000 0.811 126 E HN 0.649 nan 8.360 nan 0.000 0.502 127 N N 1.394 120.147 118.700 0.089 0.000 2.069 127 N HA -0.110 4.630 4.740 -0.000 0.000 0.191 127 N C -0.944 174.605 175.510 0.064 0.000 1.031 127 N CA 1.183 54.283 53.050 0.083 0.000 0.852 127 N CB -0.396 38.105 38.487 0.024 0.000 1.018 127 N HN 0.071 nan 8.380 nan 0.000 0.423 128 P HA -0.042 nan 4.420 nan 0.000 0.220 128 P C 1.486 178.747 177.300 -0.066 0.000 1.148 128 P CA 0.804 63.895 63.100 -0.015 0.000 0.803 128 P CB -0.082 31.605 31.700 -0.021 0.000 0.782 129 I N -2.229 118.258 120.570 -0.139 0.000 2.194 129 I HA -0.262 3.908 4.170 -0.000 0.000 0.246 129 I C 1.506 177.301 176.117 -0.537 0.000 1.093 129 I CA 1.826 62.887 61.300 -0.398 0.000 1.355 129 I CB -0.731 36.872 38.000 -0.662 0.000 1.046 129 I HN -0.003 nan 8.210 nan 0.000 0.413 130 Y N 0.085 120.383 120.300 -0.004 0.000 2.458 130 Y HA 0.380 4.930 4.550 -0.000 0.000 0.256 130 Y C 2.245 178.119 175.900 -0.044 0.000 1.159 130 Y CA 0.199 58.283 58.100 -0.027 0.000 1.261 130 Y CB -0.362 38.070 38.460 -0.046 0.000 1.119 130 Y HN 0.007 nan 8.280 nan 0.000 0.524 131 A N 0.305 123.150 122.820 0.042 0.000 1.940 131 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 131 A C 1.841 179.432 177.584 0.012 0.000 1.176 131 A CA 2.386 54.436 52.037 0.022 0.000 0.631 131 A CB -0.578 18.428 19.000 0.009 0.000 0.814 131 A HN 0.457 nan 8.150 nan 0.000 0.446 132 D N -1.294 119.117 120.400 0.019 0.000 2.137 132 D HA -0.080 4.560 4.640 -0.000 0.000 0.202 132 D C 1.712 177.981 176.300 -0.053 0.000 0.970 132 D CA 1.256 55.275 54.000 0.033 0.000 0.837 132 D CB -0.050 40.821 40.800 0.119 0.000 0.981 132 D HN 0.088 nan 8.370 nan 0.000 0.475 133 V N -0.156 119.646 119.914 -0.186 0.000 2.719 133 V HA 0.244 4.364 4.120 -0.000 0.000 0.252 133 V C 0.760 176.699 176.094 -0.259 0.000 1.065 133 V CA 0.994 62.984 62.300 -0.516 0.000 1.086 133 V CB -0.354 30.921 31.823 -0.914 0.000 0.700 133 V HN 0.327 nan 8.190 nan 0.000 0.467 134 A N -0.142 122.614 122.820 -0.107 0.000 2.301 134 A HA 0.344 4.663 4.320 -0.000 0.000 0.312 134 A C 0.821 178.403 177.584 -0.005 0.000 1.182 134 A CA 0.241 52.251 52.037 -0.046 0.000 0.826 134 A CB 0.841 19.839 19.000 -0.004 0.000 1.134 134 A HN 0.477 nan 8.150 nan 0.000 0.501 135 D N 0.340 120.758 120.400 0.030 0.000 2.183 135 D HA -0.071 4.569 4.640 -0.000 0.000 0.203 135 D C -0.185 176.224 176.300 0.181 0.000 0.969 135 D CA 1.414 55.467 54.000 0.088 0.000 0.842 135 D CB 0.030 40.907 40.800 0.127 0.000 0.957 135 D HN 0.484 nan 8.370 nan 0.000 0.484 136 Y N -0.028 120.272 120.300 0.000 0.000 2.421 136 Y HA 0.501 5.051 4.550 -0.000 0.000 0.339 136 Y C -1.648 174.239 175.900 -0.022 0.000 0.996 136 Y CA -1.515 56.584 58.100 -0.002 0.000 1.046 136 Y CB 1.464 39.916 38.460 -0.012 0.000 1.226 136 Y HN -0.177 nan 8.280 nan 0.000 0.445 137 N N 4.872 123.335 118.700 -0.396 0.000 2.664 137 N HA 0.494 5.234 4.740 -0.000 0.000 0.268 137 N C -2.310 172.985 175.510 -0.359 0.000 1.222 137 N CA -0.343 52.538 53.050 -0.281 0.000 0.805 137 N CB 1.057 39.493 38.487 -0.085 0.000 1.399 137 N HN 0.528 nan 8.380 nan 0.000 0.547 138 V N -0.162 119.504 119.914 -0.414 0.000 2.925 138 V HA 0.732 4.852 4.120 -0.000 0.000 0.311 138 V C -0.181 175.809 176.094 -0.172 0.000 1.104 138 V CA -0.671 61.443 62.300 -0.310 0.000 0.954 138 V CB 1.664 33.239 31.823 -0.414 0.000 1.022 138 V HN 0.366 nan 8.190 nan 0.000 0.427 139 T N 3.603 118.096 114.554 -0.102 0.000 2.744 139 T HA 0.705 5.054 4.350 -0.000 0.000 0.291 139 T C 0.407 175.080 174.700 -0.046 0.000 0.957 139 T CA 0.386 62.450 62.100 -0.061 0.000 1.002 139 T CB 1.034 69.885 68.868 -0.028 0.000 0.919 139 T HN 1.403 nan 8.240 nan 0.000 0.468 140 A N 2.593 125.388 122.820 -0.043 0.000 2.462 140 A HA 0.442 4.762 4.320 -0.000 0.000 0.243 140 A C 1.206 178.785 177.584 -0.009 0.000 1.076 140 A CA -0.416 51.608 52.037 -0.022 0.000 0.773 140 A CB 0.069 19.050 19.000 -0.031 0.000 1.010 140 A HN 1.053 nan 8.150 nan 0.000 0.493 141 V N -0.482 119.435 119.914 0.005 0.000 3.337 141 V HA 0.391 4.511 4.120 -0.000 0.000 0.307 141 V C 0.014 176.118 176.094 0.017 0.000 1.505 141 V CA 0.119 62.426 62.300 0.012 0.000 1.072 141 V CB -0.769 31.063 31.823 0.014 0.000 0.929 141 V HN 0.832 nan 8.190 nan 0.000 0.455 142 N N 0.121 118.831 118.700 0.016 0.000 2.406 142 N HA 0.562 5.302 4.740 -0.000 0.000 0.283 142 N C 0.647 176.166 175.510 0.015 0.000 1.074 142 N CA 0.481 53.544 53.050 0.021 0.000 0.916 142 N CB 2.578 41.082 38.487 0.029 0.000 1.639 142 N HN 0.100 nan 8.380 nan 0.000 0.485 143 A N 3.099 125.927 122.820 0.014 0.000 1.897 143 A HA 0.069 4.389 4.320 -0.000 0.000 0.215 143 A C 2.060 179.653 177.584 0.014 0.000 1.181 143 A CA 1.892 53.931 52.037 0.002 0.000 0.620 143 A CB -0.793 18.212 19.000 0.007 0.000 0.821 143 A HN 0.776 nan 8.150 nan 0.000 0.443 144 A N -0.142 122.698 122.820 0.035 0.000 1.908 144 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 144 A C 2.322 179.951 177.584 0.074 0.000 1.181 144 A CA 2.574 54.646 52.037 0.058 0.000 0.627 144 A CB -1.311 17.724 19.000 0.058 0.000 0.818 144 A HN 0.835 nan 8.150 nan 0.000 0.445 145 T N -2.867 111.726 114.554 0.065 0.000 3.129 145 T HA 0.149 4.499 4.350 -0.000 0.000 0.251 145 T C 1.508 176.266 174.700 0.098 0.000 1.117 145 T CA 0.729 62.884 62.100 0.092 0.000 1.034 145 T CB -0.163 68.754 68.868 0.082 0.000 0.968 145 T HN 0.160 nan 8.240 nan 0.000 0.526 146 L N 2.490 123.739 121.223 0.043 0.000 2.012 146 L HA 0.124 4.464 4.340 -0.000 0.000 0.210 146 L C -0.904 175.960 176.870 -0.009 0.000 1.073 146 L CA 1.871 56.714 54.840 0.003 0.000 0.748 146 L CB -1.215 40.817 42.059 -0.046 0.000 0.891 146 L HN 0.121 nan 8.230 nan 0.000 0.431 147 P HA -0.206 nan 4.420 nan 0.000 0.215 147 P C 1.535 178.849 177.300 0.023 0.000 1.153 147 P CA 1.625 64.710 63.100 -0.025 0.000 0.853 147 P CB -0.351 31.347 31.700 -0.004 0.000 0.788 148 H N -0.058 119.002 119.070 -0.016 0.000 2.352 148 H HA -0.093 4.462 4.556 -0.000 0.000 0.299 148 H C 1.621 176.939 175.328 -0.016 0.000 1.097 148 H CA 1.500 57.516 56.048 -0.053 0.000 1.311 148 H CB -0.398 29.344 29.762 -0.034 0.000 1.377 148 H HN -0.111 nan 8.280 nan 0.000 0.504 149 V N 1.637 121.550 119.914 -0.002 0.000 2.407 149 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 149 V C 2.833 178.897 176.094 -0.049 0.000 1.055 149 V CA 1.288 63.593 62.300 0.008 0.000 1.049 149 V CB -0.443 31.435 31.823 0.092 0.000 0.662 149 V HN 0.373 nan 8.190 nan 0.000 0.455 150 I N 0.477 121.001 120.570 -0.076 0.000 2.202 150 I HA -0.212 3.958 4.170 -0.000 0.000 0.242 150 I C 2.372 178.388 176.117 -0.169 0.000 1.091 150 I CA 2.092 63.328 61.300 -0.106 0.000 1.368 150 I CB -1.259 36.679 38.000 -0.103 0.000 1.058 150 I HN 0.417 nan 8.210 nan 0.000 0.410 151 D N 0.913 121.226 120.400 -0.146 0.000 2.104 151 D HA -0.283 4.357 4.640 -0.000 0.000 0.194 151 D C 2.103 178.255 176.300 -0.247 0.000 0.994 151 D CA 1.646 55.586 54.000 -0.101 0.000 0.830 151 D CB 0.129 40.908 40.800 -0.034 0.000 0.959 151 D HN 0.230 nan 8.370 nan 0.000 0.452 152 E N -0.016 119.949 120.200 -0.393 0.000 2.058 152 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 152 E C 1.878 178.160 176.600 -0.530 0.000 0.997 152 E CA 1.590 57.715 56.400 -0.460 0.000 0.801 152 E CB -0.623 28.767 29.700 -0.517 0.000 0.746 152 E HN 0.328 nan 8.360 nan 0.000 0.450 153 A N 0.524 123.104 122.820 -0.400 0.000 1.883 153 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 153 A C 2.390 179.764 177.584 -0.349 0.000 1.186 153 A CA 1.857 53.728 52.037 -0.277 0.000 0.624 153 A CB -0.846 18.150 19.000 -0.006 0.000 0.822 153 A HN 0.376 nan 8.150 nan 0.000 0.444 154 I N -1.205 119.097 120.570 -0.447 0.000 2.179 154 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 154 I C 2.727 178.475 176.117 -0.616 0.000 1.088 154 I CA 1.783 62.690 61.300 -0.656 0.000 1.357 154 I CB -0.315 37.038 38.000 -1.079 0.000 1.051 154 I HN 0.382 nan 8.210 nan 0.000 0.409 155 R N 1.109 121.292 120.500 -0.527 0.000 2.096 155 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 155 R C 2.452 178.624 176.300 -0.214 0.000 1.127 155 R CA 1.352 57.311 56.100 -0.236 0.000 0.968 155 R CB -0.079 30.208 30.300 -0.022 0.000 0.861 155 R HN 0.241 nan 8.270 nan 0.000 0.440 156 R N -0.219 120.073 120.500 -0.348 0.000 2.092 156 R HA -0.022 4.318 4.340 -0.000 0.000 0.231 156 R C 2.346 178.446 176.300 -0.333 0.000 1.119 156 R CA 1.177 57.014 56.100 -0.439 0.000 0.970 156 R CB -0.274 29.777 30.300 -0.415 0.000 0.864 156 R HN 0.266 nan 8.270 nan 0.000 0.440 157 A N 0.432 123.096 122.820 -0.260 0.000 1.908 157 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 157 A C 1.773 179.247 177.584 -0.183 0.000 1.181 157 A CA 1.300 53.206 52.037 -0.219 0.000 0.627 157 A CB -0.653 18.157 19.000 -0.317 0.000 0.818 157 A HN 0.275 nan 8.150 nan 0.000 0.445 158 Y N -0.263 119.931 120.300 -0.177 0.000 2.133 158 Y HA -0.055 4.495 4.550 -0.000 0.000 0.287 158 Y C 2.993 178.881 175.900 -0.021 0.000 1.134 158 Y CA 0.847 58.913 58.100 -0.056 0.000 1.133 158 Y CB -0.828 37.641 38.460 0.016 0.000 0.987 158 Y HN 0.315 nan 8.280 nan 0.000 0.502 159 A N -0.700 122.145 122.820 0.042 0.000 1.940 159 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 159 A C 1.491 179.076 177.584 0.000 0.000 1.176 159 A CA 2.187 54.179 52.037 -0.075 0.000 0.631 159 A CB -1.008 17.803 19.000 -0.315 0.000 0.814 159 A HN 0.718 nan 8.150 nan 0.000 0.446 160 H N -1.877 117.226 119.070 0.054 0.000 2.652 160 H HA 0.174 4.730 4.556 -0.000 0.000 0.274 160 H C -0.289 175.062 175.328 0.039 0.000 1.021 160 H CA -0.157 55.912 56.048 0.034 0.000 1.187 160 H CB 0.418 30.189 29.762 0.015 0.000 1.505 160 H HN 0.313 nan 8.280 nan 0.000 0.530 161 Q N 0.620 120.499 119.800 0.131 0.000 2.453 161 Q HA -0.139 4.201 4.340 -0.000 0.000 0.330 161 Q C 0.237 176.287 176.000 0.083 0.000 1.417 161 Q CA 1.006 56.874 55.803 0.110 0.000 0.902 161 Q CB -1.520 27.313 28.738 0.158 0.000 1.154 161 Q HN 0.812 nan 8.270 nan 0.000 0.395 162 G N -2.023 106.792 108.800 0.025 0.000 2.753 162 G HA2 0.581 4.541 3.960 -0.000 0.000 0.303 162 G HA3 0.581 4.541 3.960 -0.000 0.000 0.303 162 G C -1.075 173.790 174.900 -0.059 0.000 1.242 162 G CA -0.260 44.837 45.100 -0.005 0.000 0.810 162 G HN 0.086 nan 8.290 nan 0.000 0.515 163 V N 1.124 120.999 119.914 -0.065 0.000 2.407 163 V HA 0.630 4.750 4.120 -0.000 0.000 0.278 163 V C 0.534 176.604 176.094 -0.041 0.000 1.037 163 V CA -0.243 62.006 62.300 -0.085 0.000 0.900 163 V CB 0.767 32.518 31.823 -0.120 0.000 0.983 163 V HN 1.089 nan 8.190 nan 0.000 0.459 164 A N 5.335 128.127 122.820 -0.047 0.000 2.288 164 A HA 0.817 5.137 4.320 -0.000 0.000 0.320 164 A C -0.669 176.898 177.584 -0.029 0.000 1.217 164 A CA -0.471 51.584 52.037 0.030 0.000 0.840 164 A CB 1.177 20.192 19.000 0.026 0.000 1.179 164 A HN 0.657 nan 8.150 nan 0.000 0.504 165 V N 3.053 122.939 119.914 -0.048 0.000 2.540 165 V HA 0.517 4.637 4.120 -0.000 0.000 0.302 165 V C -0.537 175.453 176.094 -0.172 0.000 1.035 165 V CA -0.511 61.694 62.300 -0.157 0.000 0.873 165 V CB 1.700 33.379 31.823 -0.240 0.000 0.992 165 V HN 0.641 nan 8.190 nan 0.000 0.428 166 V N 4.451 124.263 119.914 -0.171 0.000 2.443 166 V HA 0.419 4.539 4.120 -0.000 0.000 0.293 166 V C -0.474 175.523 176.094 -0.163 0.000 1.021 166 V CA -0.776 61.434 62.300 -0.150 0.000 0.848 166 V CB 1.666 33.434 31.823 -0.092 0.000 0.998 166 V HN 0.947 nan 8.190 nan 0.000 0.424 167 Q N 4.424 124.137 119.800 -0.144 0.000 2.279 167 Q HA 0.625 4.965 4.340 -0.000 0.000 0.256 167 Q C -0.724 175.227 176.000 -0.082 0.000 0.937 167 Q CA 0.253 55.992 55.803 -0.107 0.000 0.933 167 Q CB 1.595 30.297 28.738 -0.060 0.000 1.189 167 Q HN 0.693 nan 8.270 nan 0.000 0.417 168 I N 4.673 125.191 120.570 -0.086 0.000 2.420 168 I HA 0.323 4.493 4.170 -0.000 0.000 0.282 168 I C -2.312 173.759 176.117 -0.077 0.000 1.019 168 I CA -2.596 58.649 61.300 -0.092 0.000 1.130 168 I CB 1.667 39.584 38.000 -0.138 0.000 1.262 168 I HN 0.346 nan 8.210 nan 0.000 0.454 169 P HA -0.044 nan 4.420 nan 0.000 0.263 169 P C 0.949 178.210 177.300 -0.064 0.000 1.195 169 P CA 0.150 63.240 63.100 -0.015 0.000 0.762 169 P CB 1.056 32.768 31.700 0.020 0.000 0.799 170 V N 3.523 123.386 119.914 -0.085 0.000 2.688 170 V HA -0.229 3.891 4.120 -0.000 0.000 0.256 170 V C 1.559 177.575 176.094 -0.130 0.000 1.084 170 V CA 2.450 64.646 62.300 -0.174 0.000 1.103 170 V CB -0.879 30.835 31.823 -0.181 0.000 0.688 170 V HN 0.612 nan 8.190 nan 0.000 0.480 171 D N -0.432 119.966 120.400 -0.002 0.000 2.178 171 D HA -0.200 4.440 4.640 -0.000 0.000 0.202 171 D C 2.011 178.345 176.300 0.056 0.000 0.974 171 D CA 1.333 55.391 54.000 0.097 0.000 0.841 171 D CB -0.543 40.314 40.800 0.095 0.000 0.953 171 D HN 0.501 nan 8.370 nan 0.000 0.478 172 L N 0.362 121.573 121.223 -0.021 0.000 2.046 172 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 172 L C -0.359 176.473 176.870 -0.064 0.000 1.077 172 L CA 1.198 56.021 54.840 -0.029 0.000 0.747 172 L CB -1.758 40.275 42.059 -0.043 0.000 0.896 172 L HN 0.086 nan 8.230 nan 0.000 0.432 173 P HA -0.144 nan 4.420 nan 0.000 0.230 173 P C 0.962 178.156 177.300 -0.176 0.000 1.158 173 P CA 1.012 63.971 63.100 -0.235 0.000 0.769 173 P CB -0.033 31.432 31.700 -0.392 0.000 0.807 174 W N -0.054 121.200 121.300 -0.077 0.000 3.290 174 W HA 0.235 4.895 4.660 -0.000 0.000 0.287 174 W C 0.353 176.842 176.519 -0.049 0.000 1.288 174 W CA 0.091 57.396 57.345 -0.066 0.000 1.725 174 W CB -0.483 28.939 29.460 -0.064 0.000 1.103 174 W HN 0.115 nan 8.180 nan 0.000 0.670 175 Q N 1.188 121.070 119.800 0.137 0.000 2.261 175 Q HA 0.122 4.462 4.340 -0.000 0.000 0.252 175 Q C 0.449 176.481 176.000 0.054 0.000 0.915 175 Q CA -0.265 55.588 55.803 0.083 0.000 0.915 175 Q CB 1.154 29.927 28.738 0.057 0.000 1.204 175 Q HN -0.173 nan 8.270 nan 0.000 0.421 176 Q N 2.350 122.180 119.800 0.050 0.000 2.364 176 Q HA 0.291 4.631 4.340 -0.000 0.000 0.267 176 Q C -0.118 175.907 176.000 0.042 0.000 0.999 176 Q CA 0.318 56.146 55.803 0.042 0.000 0.886 176 Q CB 0.546 29.308 28.738 0.040 0.000 1.243 176 Q HN 0.597 nan 8.270 nan 0.000 0.415 177 I N -1.813 118.787 120.570 0.049 0.000 2.828 177 I HA 0.589 4.759 4.170 -0.000 0.000 0.302 177 I C -2.711 173.465 176.117 0.098 0.000 1.101 177 I CA -3.186 58.155 61.300 0.069 0.000 1.031 177 I CB 2.435 40.476 38.000 0.069 0.000 1.231 177 I HN 0.197 nan 8.210 nan 0.000 0.427 178 P HA 0.055 nan 4.420 nan 0.000 0.264 178 P C 0.338 177.744 177.300 0.175 0.000 1.193 178 P CA 0.155 63.322 63.100 0.111 0.000 0.763 178 P CB 1.040 32.794 31.700 0.091 0.000 0.810 179 A N 4.212 127.127 122.820 0.159 0.000 2.121 179 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 179 A C 1.568 179.262 177.584 0.184 0.000 1.154 179 A CA 1.245 53.416 52.037 0.224 0.000 0.679 179 A CB -0.602 18.490 19.000 0.153 0.000 0.795 179 A HN 0.635 nan 8.150 nan 0.000 0.458 180 E N -0.755 119.495 120.200 0.083 0.000 2.511 180 E HA -0.014 4.336 4.350 -0.000 0.000 0.209 180 E C 0.013 176.579 176.600 -0.057 0.000 0.986 180 E CA 0.447 56.828 56.400 -0.032 0.000 0.974 180 E CB -0.204 29.485 29.700 -0.019 0.000 1.030 180 E HN 0.386 nan 8.360 nan 0.000 0.490 181 D N 1.429 121.857 120.400 0.048 0.000 2.120 181 D HA -0.055 4.585 4.640 -0.000 0.000 0.202 181 D C 0.975 177.354 176.300 0.132 0.000 0.972 181 D CA 0.589 54.640 54.000 0.086 0.000 0.837 181 D CB -0.595 40.282 40.800 0.127 0.000 0.989 181 D HN 0.384 nan 8.370 nan 0.000 0.469 182 W N 2.292 123.660 121.300 0.113 0.000 2.158 182 W HA 0.278 4.938 4.660 -0.000 0.000 0.339 182 W C -0.612 176.027 176.519 0.200 0.000 1.294 182 W CA -0.609 56.803 57.345 0.112 0.000 1.231 182 W CB -0.388 29.099 29.460 0.046 0.000 1.143 182 W HN 0.010 nan 8.180 nan 0.000 0.571 183 Y N 0.565 120.929 120.300 0.107 0.000 2.625 183 Y HA 0.777 5.327 4.550 -0.000 0.000 0.338 183 Y C -1.373 174.688 175.900 0.267 0.000 1.123 183 Y CA -1.768 56.266 58.100 -0.109 0.000 1.046 183 Y CB 0.503 38.873 38.460 -0.150 0.000 1.299 183 Y HN 0.716 nan 8.280 nan 0.000 0.464 184 A N 0.688 123.656 122.820 0.246 0.000 2.325 184 A HA 0.579 4.899 4.320 -0.000 0.000 0.333 184 A C 0.241 177.947 177.584 0.203 0.000 1.155 184 A CA -0.298 51.864 52.037 0.209 0.000 0.814 184 A CB 0.815 19.928 19.000 0.189 0.000 1.206 184 A HN 1.277 nan 8.150 nan 0.000 0.482 185 S N 0.768 116.575 115.700 0.178 0.000 2.568 185 S HA 0.322 4.792 4.470 -0.000 0.000 0.232 185 S C 1.407 175.800 174.600 -0.344 0.000 0.975 185 S CA 0.575 58.856 58.200 0.134 0.000 0.949 185 S CB -0.001 63.401 63.200 0.336 0.000 0.829 185 S HN 1.366 nan 8.310 nan 0.000 0.479 186 A N 4.191 126.358 122.820 -1.088 0.000 1.958 186 A HA -0.274 4.046 4.320 -0.000 0.000 0.221 186 A C 2.229 179.427 177.584 -0.644 0.000 1.178 186 A CA 2.003 53.058 52.037 -1.636 0.000 0.642 186 A CB -1.026 17.101 19.000 -1.454 0.000 0.816 186 A HN 0.844 nan 8.150 nan 0.000 0.453 187 N N -0.127 118.363 118.700 -0.351 0.000 2.381 187 N HA -0.082 4.658 4.740 -0.000 0.000 0.182 187 N C 1.273 176.715 175.510 -0.114 0.000 1.025 187 N CA 1.659 54.599 53.050 -0.183 0.000 0.888 187 N CB -0.600 37.811 38.487 -0.127 0.000 0.965 187 N HN 0.363 nan 8.380 nan 0.000 0.438 188 S N -0.595 115.049 115.700 -0.093 0.000 2.496 188 S HA -0.023 4.447 4.470 -0.000 0.000 0.224 188 S C 0.303 174.893 174.600 -0.017 0.000 0.996 188 S CA -0.453 57.727 58.200 -0.034 0.000 0.927 188 S CB -0.431 62.779 63.200 0.016 0.000 0.774 188 S HN 0.500 nan 8.310 nan 0.000 0.524 189 Y N 4.567 124.778 120.300 -0.150 0.000 2.620 189 Y HA 0.201 4.751 4.550 -0.000 0.000 0.330 189 Y C 0.330 176.175 175.900 -0.091 0.000 1.186 189 Y CA 0.091 58.131 58.100 -0.100 0.000 1.467 189 Y CB 0.170 38.544 38.460 -0.142 0.000 1.262 189 Y HN 0.251 nan 8.280 nan 0.000 0.550 190 Q N 2.753 122.112 119.800 -0.735 0.000 2.630 190 Q HA 0.486 4.826 4.340 -0.000 0.000 0.295 190 Q C -1.616 174.018 176.000 -0.610 0.000 0.944 190 Q CA -1.041 54.456 55.803 -0.510 0.000 0.766 190 Q CB 1.606 30.207 28.738 -0.229 0.000 1.471 190 Q HN 0.616 nan 8.270 nan 0.000 0.416 191 T N -0.878 113.486 114.554 -0.317 0.000 2.895 191 T HA 0.688 5.038 4.350 -0.000 0.000 0.283 191 T C -2.133 172.491 174.700 -0.126 0.000 1.014 191 T CA -1.333 60.644 62.100 -0.204 0.000 1.037 191 T CB 0.996 69.806 68.868 -0.096 0.000 1.006 191 T HN 0.544 nan 8.240 nan 0.000 0.468 192 P HA 0.351 nan 4.420 nan 0.000 0.275 192 P C -1.039 176.235 177.300 -0.043 0.000 1.228 192 P CA -0.755 62.307 63.100 -0.063 0.000 0.786 192 P CB 0.443 32.116 31.700 -0.045 0.000 0.927 193 L N 2.676 123.877 121.223 -0.037 0.000 2.283 193 L HA 0.276 4.616 4.340 -0.000 0.000 0.287 193 L C 0.502 177.360 176.870 -0.020 0.000 1.073 193 L CA 0.063 54.888 54.840 -0.026 0.000 0.822 193 L CB -0.511 41.533 42.059 -0.025 0.000 1.186 193 L HN 0.287 nan 8.230 nan 0.000 0.436 194 L N 5.628 126.842 121.223 -0.015 0.000 2.379 194 L HA 0.516 4.856 4.340 -0.000 0.000 0.269 194 L C -1.474 175.390 176.870 -0.010 0.000 1.084 194 L CA -1.780 53.054 54.840 -0.011 0.000 0.802 194 L CB 0.538 42.592 42.059 -0.008 0.000 1.175 194 L HN 0.476 nan 8.230 nan 0.000 0.448 195 P HA 0.085 nan 4.420 nan 0.000 0.272 195 P C -0.716 176.579 177.300 -0.007 0.000 1.254 195 P CA -0.490 62.606 63.100 -0.008 0.000 0.795 195 P CB 0.546 32.242 31.700 -0.006 0.000 1.022 196 E N 0.314 120.509 120.200 -0.008 0.000 2.390 196 E HA 0.233 4.583 4.350 -0.000 0.000 0.261 196 E C -1.911 174.685 176.600 -0.007 0.000 1.076 196 E CA -1.802 54.593 56.400 -0.008 0.000 0.905 196 E CB -0.992 28.703 29.700 -0.009 0.000 0.984 196 E HN 0.313 nan 8.360 nan 0.000 0.427 197 P HA -0.107 nan 4.420 nan 0.000 0.265 197 P C -0.081 177.216 177.300 -0.006 0.000 1.187 197 P CA 0.261 63.357 63.100 -0.006 0.000 0.766 197 P CB 0.353 32.049 31.700 -0.007 0.000 0.820 198 D N 2.663 123.060 120.400 -0.004 0.000 2.554 198 D HA -0.082 4.558 4.640 -0.000 0.000 0.251 198 D C 1.177 177.473 176.300 -0.006 0.000 1.213 198 D CA 0.175 54.173 54.000 -0.004 0.000 0.900 198 D CB 0.756 41.555 40.800 -0.002 0.000 1.135 198 D HN -0.001 nan 8.370 nan 0.000 0.522 199 V N 4.593 124.502 119.914 -0.007 0.000 2.332 199 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 199 V C 2.474 178.561 176.094 -0.011 0.000 1.055 199 V CA 1.716 64.010 62.300 -0.009 0.000 1.038 199 V CB -0.387 31.431 31.823 -0.009 0.000 0.651 199 V HN 0.617 nan 8.190 nan 0.000 0.450 200 Q N -0.790 119.004 119.800 -0.010 0.000 2.212 200 Q HA 0.031 4.371 4.340 -0.000 0.000 0.199 200 Q C 2.385 178.377 176.000 -0.014 0.000 0.950 200 Q CA 1.200 56.996 55.803 -0.012 0.000 0.863 200 Q CB -0.242 28.489 28.738 -0.010 0.000 0.944 200 Q HN 0.669 nan 8.270 nan 0.000 0.465 201 A N 0.314 123.127 122.820 -0.011 0.000 1.930 201 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 201 A C 2.258 179.834 177.584 -0.014 0.000 1.175 201 A CA 1.032 53.063 52.037 -0.011 0.000 0.627 201 A CB -0.512 18.485 19.000 -0.005 0.000 0.815 201 A HN 0.184 nan 8.150 nan 0.000 0.443 202 V N -0.201 119.706 119.914 -0.013 0.000 2.307 202 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 202 V C 2.755 178.838 176.094 -0.018 0.000 1.045 202 V CA 2.463 64.755 62.300 -0.014 0.000 1.024 202 V CB -1.258 30.558 31.823 -0.012 0.000 0.651 202 V HN 0.604 nan 8.190 nan 0.000 0.449 203 T N -0.463 114.080 114.554 -0.019 0.000 2.699 203 T HA -0.286 4.064 4.350 -0.000 0.000 0.268 203 T C 2.053 176.736 174.700 -0.028 0.000 1.036 203 T CA 1.971 64.058 62.100 -0.021 0.000 1.147 203 T CB -0.271 68.586 68.868 -0.019 0.000 0.862 203 T HN 0.353 nan 8.240 nan 0.000 0.446 204 R N 0.297 120.778 120.500 -0.031 0.000 2.066 204 R HA 0.055 4.395 4.340 -0.000 0.000 0.232 204 R C 2.532 178.800 176.300 -0.052 0.000 1.131 204 R CA 1.044 57.119 56.100 -0.043 0.000 0.955 204 R CB -0.465 29.812 30.300 -0.039 0.000 0.851 204 R HN 0.381 nan 8.270 nan 0.000 0.432 205 L N 0.419 121.618 121.223 -0.040 0.000 2.046 205 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 205 L C 1.879 178.727 176.870 -0.035 0.000 1.077 205 L CA 1.839 56.656 54.840 -0.038 0.000 0.747 205 L CB -0.365 41.680 42.059 -0.024 0.000 0.896 205 L HN 0.217 nan 8.230 nan 0.000 0.432 206 T N -0.620 113.917 114.554 -0.029 0.000 2.720 206 T HA -0.254 4.096 4.350 -0.000 0.000 0.268 206 T C 1.815 176.497 174.700 -0.029 0.000 1.037 206 T CA 1.569 63.654 62.100 -0.024 0.000 1.144 206 T CB -0.260 68.596 68.868 -0.021 0.000 0.864 206 T HN 0.413 nan 8.240 nan 0.000 0.444 207 Q N 0.676 120.452 119.800 -0.040 0.000 2.084 207 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 207 Q C 2.282 178.247 176.000 -0.059 0.000 0.978 207 Q CA 1.630 57.405 55.803 -0.046 0.000 0.844 207 Q CB -0.584 28.123 28.738 -0.051 0.000 0.898 207 Q HN 0.490 nan 8.270 nan 0.000 0.426 208 T N 1.842 116.345 114.554 -0.086 0.000 2.821 208 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 208 T C 1.831 176.505 174.700 -0.043 0.000 1.046 208 T CA 1.131 63.158 62.100 -0.121 0.000 1.139 208 T CB -0.247 68.503 68.868 -0.197 0.000 0.871 208 T HN 0.201 nan 8.240 nan 0.000 0.454 209 L N 0.596 121.807 121.223 -0.021 0.000 2.056 209 L HA 0.089 4.429 4.340 -0.000 0.000 0.207 209 L C 1.989 178.866 176.870 0.012 0.000 1.078 209 L CA 1.522 56.368 54.840 0.011 0.000 0.749 209 L CB -0.641 41.426 42.059 0.013 0.000 0.901 209 L HN 0.108 nan 8.230 nan 0.000 0.433 210 L N -0.212 121.010 121.223 -0.002 0.000 2.156 210 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 210 L C 2.529 179.398 176.870 -0.002 0.000 1.095 210 L CA 1.634 56.472 54.840 -0.003 0.000 0.770 210 L CB -1.141 40.911 42.059 -0.012 0.000 0.914 210 L HN 0.333 nan 8.230 nan 0.000 0.439 211 A N -0.562 122.255 122.820 -0.005 0.000 2.119 211 A HA 0.249 4.569 4.320 -0.000 0.000 0.217 211 A C 1.461 179.056 177.584 0.018 0.000 1.153 211 A CA 0.643 52.683 52.037 0.004 0.000 0.692 211 A CB -0.796 18.201 19.000 -0.004 0.000 0.799 211 A HN 0.281 nan 8.150 nan 0.000 0.458 212 A N -0.146 122.686 122.820 0.020 0.000 2.483 212 A HA 0.296 4.615 4.320 -0.000 0.000 0.238 212 A C 0.937 178.491 177.584 -0.050 0.000 1.070 212 A CA 0.525 52.563 52.037 0.001 0.000 0.770 212 A CB 0.187 19.185 19.000 -0.003 0.000 1.008 212 A HN 0.548 nan 8.150 nan 0.000 0.497 213 E N 0.684 120.821 120.200 -0.105 0.000 2.216 213 E HA 0.028 4.378 4.350 -0.000 0.000 0.192 213 E C 0.384 176.771 176.600 -0.356 0.000 0.973 213 E CA 0.426 56.741 56.400 -0.140 0.000 0.851 213 E CB 0.131 29.769 29.700 -0.104 0.000 0.804 213 E HN 0.678 nan 8.360 nan 0.000 0.477 214 R N 1.593 121.740 120.500 -0.588 0.000 2.681 214 R HA 0.287 4.627 4.340 -0.000 0.000 0.277 214 R C -2.563 173.238 176.300 -0.831 0.000 1.563 214 R CA -1.636 53.591 56.100 -1.455 0.000 1.673 214 R CB 1.380 30.617 30.300 -1.771 0.000 1.258 214 R HN 0.136 nan 8.270 nan 0.000 0.650 215 P HA 0.135 nan 4.420 nan 0.000 0.275 215 P C -0.549 176.949 177.300 0.330 0.000 1.228 215 P CA -0.011 63.129 63.100 0.065 0.000 0.786 215 P CB 1.430 33.198 31.700 0.113 0.000 0.927 216 L N 2.574 123.954 121.223 0.263 0.000 2.401 216 L HA 0.520 4.860 4.340 -0.000 0.000 0.266 216 L C 0.109 177.128 176.870 0.248 0.000 0.991 216 L CA -1.006 54.013 54.840 0.298 0.000 0.818 216 L CB 2.165 44.390 42.059 0.277 0.000 1.321 216 L HN 0.248 nan 8.230 nan 0.000 0.413 217 I N 2.658 123.392 120.570 0.273 0.000 2.336 217 I HA 0.261 4.431 4.170 -0.000 0.000 0.292 217 I C -1.231 175.119 176.117 0.388 0.000 0.991 217 I CA -0.494 60.981 61.300 0.292 0.000 1.227 217 I CB 1.273 39.438 38.000 0.275 0.000 1.366 217 I HN 0.392 nan 8.210 nan 0.000 0.466 218 Y N 9.331 129.742 120.300 0.186 0.000 2.526 218 Y HA 0.400 4.950 4.550 -0.000 0.000 0.328 218 Y C -1.199 174.710 175.900 0.016 0.000 0.995 218 Y CA -1.816 56.341 58.100 0.095 0.000 1.304 218 Y CB 0.441 39.021 38.460 0.199 0.000 1.096 218 Y HN 0.469 nan 8.280 nan 0.000 0.499 219 Y N 2.764 123.175 120.300 0.184 0.000 2.496 219 Y HA 0.978 5.528 4.550 -0.000 0.000 0.331 219 Y C 0.168 176.039 175.900 -0.049 0.000 1.140 219 Y CA -1.158 56.928 58.100 -0.022 0.000 1.166 219 Y CB 1.187 39.668 38.460 0.035 0.000 1.249 219 Y HN 0.566 nan 8.280 nan 0.000 0.479 220 G N 0.734 109.541 108.800 0.011 0.000 3.175 220 G HA2 0.383 4.343 3.960 -0.000 0.000 0.255 220 G HA3 0.383 4.343 3.960 -0.000 0.000 0.255 220 G C 0.308 175.283 174.900 0.125 0.000 1.352 220 G CA -0.730 44.381 45.100 0.019 0.000 1.037 220 G HN 1.097 nan 8.290 nan 0.000 0.556 221 I N -1.552 119.069 120.570 0.086 0.000 2.756 221 I HA 0.098 4.268 4.170 -0.000 0.000 0.262 221 I C 2.114 178.274 176.117 0.072 0.000 1.225 221 I CA 1.145 62.496 61.300 0.085 0.000 1.472 221 I CB -0.349 37.685 38.000 0.056 0.000 1.094 221 I HN 0.428 nan 8.210 nan 0.000 0.454 222 G N 1.442 110.274 108.800 0.053 0.000 2.485 222 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.221 222 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.221 222 G C 1.441 176.357 174.900 0.027 0.000 1.115 222 G CA 0.694 45.812 45.100 0.031 0.000 0.751 222 G HN 0.633 nan 8.290 nan 0.000 0.567 223 A N 0.665 123.513 122.820 0.045 0.000 2.462 223 A HA 0.321 4.641 4.320 -0.000 0.000 0.261 223 A C 2.101 179.681 177.584 -0.007 0.000 1.323 223 A CA 0.555 52.599 52.037 0.011 0.000 0.913 223 A CB -0.281 18.720 19.000 0.002 0.000 1.028 223 A HN 0.512 nan 8.150 nan 0.000 0.511 224 R N 0.225 120.740 120.500 0.025 0.000 2.159 224 R HA -0.106 4.234 4.340 -0.000 0.000 0.237 224 R C 1.013 177.309 176.300 -0.007 0.000 1.131 224 R CA 1.770 57.882 56.100 0.019 0.000 0.982 224 R CB -0.368 29.953 30.300 0.035 0.000 0.868 224 R HN 0.333 nan 8.270 nan 0.000 0.453 225 K N 0.224 120.617 120.400 -0.011 0.000 2.444 225 K HA 0.172 4.492 4.320 -0.000 0.000 0.193 225 K C 0.824 177.397 176.600 -0.045 0.000 1.024 225 K CA 0.515 56.791 56.287 -0.019 0.000 1.077 225 K CB 0.827 33.323 32.500 -0.006 0.000 0.833 225 K HN 0.282 nan 8.250 nan 0.000 0.517 226 A N 0.415 123.191 122.820 -0.075 0.000 2.574 226 A HA 0.263 4.583 4.320 -0.000 0.000 0.283 226 A C 1.613 179.098 177.584 -0.165 0.000 1.270 226 A CA -0.049 51.924 52.037 -0.106 0.000 0.945 226 A CB -0.045 18.892 19.000 -0.105 0.000 1.127 226 A HN 0.286 nan 8.150 nan 0.000 0.522 227 G N 0.930 109.637 108.800 -0.155 0.000 2.476 227 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.218 227 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.218 227 G C 1.555 176.347 174.900 -0.180 0.000 1.164 227 G CA 1.405 46.392 45.100 -0.188 0.000 0.768 227 G HN 0.548 nan 8.290 nan 0.000 0.560 228 K N 0.153 120.475 120.400 -0.129 0.000 2.026 228 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 228 K C 2.531 179.058 176.600 -0.122 0.000 1.048 228 K CA 1.633 57.851 56.287 -0.114 0.000 0.929 228 K CB -0.083 32.371 32.500 -0.077 0.000 0.713 228 K HN 0.273 nan 8.250 nan 0.000 0.439 229 E N 0.580 120.713 120.200 -0.112 0.000 2.072 229 E HA -0.139 4.210 4.350 -0.000 0.000 0.191 229 E C 1.908 178.438 176.600 -0.117 0.000 0.985 229 E CA 1.062 57.403 56.400 -0.098 0.000 0.801 229 E CB -0.070 29.582 29.700 -0.080 0.000 0.750 229 E HN 0.230 nan 8.360 nan 0.000 0.452 230 L N 0.597 121.718 121.223 -0.170 0.000 1.989 230 L HA -0.230 4.110 4.340 -0.000 0.000 0.211 230 L C 2.619 179.394 176.870 -0.159 0.000 1.071 230 L CA 1.646 56.372 54.840 -0.191 0.000 0.749 230 L CB -0.339 41.481 42.059 -0.398 0.000 0.890 230 L HN 0.198 nan 8.230 nan 0.000 0.431 231 E N -0.436 119.616 120.200 -0.246 0.000 2.077 231 E HA -0.295 4.055 4.350 -0.000 0.000 0.193 231 E C 2.191 178.652 176.600 -0.232 0.000 0.989 231 E CA 1.184 57.355 56.400 -0.381 0.000 0.800 231 E CB 0.111 29.510 29.700 -0.501 0.000 0.746 231 E HN 0.289 nan 8.360 nan 0.000 0.452 232 Q N 0.110 119.822 119.800 -0.146 0.000 2.079 232 Q HA -0.108 4.232 4.340 -0.000 0.000 0.200 232 Q C 2.055 178.024 176.000 -0.052 0.000 0.974 232 Q CA 0.899 56.653 55.803 -0.082 0.000 0.840 232 Q CB -0.220 28.477 28.738 -0.068 0.000 0.898 232 Q HN 0.267 nan 8.270 nan 0.000 0.430 233 L N 0.041 121.235 121.223 -0.047 0.000 1.990 233 L HA -0.197 4.143 4.340 -0.000 0.000 0.213 233 L C 2.378 179.249 176.870 0.002 0.000 1.072 233 L CA 2.203 57.030 54.840 -0.022 0.000 0.755 233 L CB -1.733 40.321 42.059 -0.008 0.000 0.889 233 L HN 0.334 nan 8.230 nan 0.000 0.432 234 S N -0.659 115.075 115.700 0.056 0.000 2.359 234 S HA -0.261 4.209 4.470 -0.000 0.000 0.223 234 S C 2.051 176.692 174.600 0.068 0.000 1.039 234 S CA 1.770 60.074 58.200 0.173 0.000 1.042 234 S CB -0.026 63.401 63.200 0.377 0.000 0.915 234 S HN 0.395 nan 8.310 nan 0.000 0.439 235 K N -0.331 120.136 120.400 0.111 0.000 2.063 235 K HA -0.069 4.251 4.320 -0.000 0.000 0.208 235 K C 2.340 178.844 176.600 -0.160 0.000 1.048 235 K CA 1.875 58.189 56.287 0.045 0.000 0.928 235 K CB -0.487 32.082 32.500 0.115 0.000 0.713 235 K HN 0.387 nan 8.250 nan 0.000 0.442 236 T N 1.351 115.837 114.554 -0.113 0.000 2.770 236 T HA -0.016 4.334 4.350 -0.000 0.000 0.263 236 T C 1.682 176.277 174.700 -0.174 0.000 1.039 236 T CA 0.940 62.968 62.100 -0.121 0.000 1.142 236 T CB -0.000 68.825 68.868 -0.071 0.000 0.868 236 T HN 0.093 nan 8.240 nan 0.000 0.435 237 L N 0.223 121.347 121.223 -0.165 0.000 2.558 237 L HA 0.185 4.525 4.340 -0.000 0.000 0.225 237 L C 0.210 176.929 176.870 -0.252 0.000 1.128 237 L CA 0.067 54.817 54.840 -0.149 0.000 0.868 237 L CB -0.125 41.898 42.059 -0.061 0.000 1.006 237 L HN 0.092 nan 8.230 nan 0.000 0.454 238 K N 1.056 121.134 120.400 -0.537 0.000 3.239 238 K HA -0.130 4.190 4.320 -0.000 0.000 0.270 238 K C -0.637 175.847 176.600 -0.194 0.000 1.049 238 K CA 0.799 56.457 56.287 -1.048 0.000 0.769 238 K CB -2.205 29.715 32.500 -0.967 0.000 1.305 238 K HN 0.334 nan 8.250 nan 0.000 0.469 239 I N 1.051 121.658 120.570 0.062 0.000 2.410 239 I HA 0.214 4.384 4.170 -0.000 0.000 0.286 239 I C -2.153 174.253 176.117 0.481 0.000 1.009 239 I CA -2.375 59.124 61.300 0.333 0.000 1.111 239 I CB 1.991 40.122 38.000 0.219 0.000 1.262 239 I HN -0.178 nan 8.210 nan 0.000 0.443 240 P HA 0.146 nan 4.420 nan 0.000 0.267 240 P C -0.872 176.611 177.300 0.305 0.000 1.200 240 P CA 0.037 63.318 63.100 0.301 0.000 0.772 240 P CB 0.586 32.300 31.700 0.024 0.000 0.855 241 L N 3.241 124.658 121.223 0.324 0.000 2.317 241 L HA 0.611 4.951 4.340 -0.000 0.000 0.281 241 L C 0.419 177.413 176.870 0.207 0.000 1.024 241 L CA -0.576 54.512 54.840 0.414 0.000 0.810 241 L CB 0.980 43.446 42.059 0.678 0.000 1.240 241 L HN 0.375 nan 8.230 nan 0.000 0.427 242 M N 1.460 121.122 119.600 0.104 0.000 2.619 242 M HA 0.816 5.296 4.480 -0.000 0.000 0.297 242 M C -0.697 175.479 176.300 -0.208 0.000 1.229 242 M CA -0.508 54.689 55.300 -0.173 0.000 0.860 242 M CB 2.414 34.793 32.600 -0.368 0.000 1.741 242 M HN 0.484 nan 8.290 nan 0.000 0.462 243 S N -0.452 115.128 115.700 -0.200 0.000 2.732 243 S HA 0.776 5.246 4.470 -0.000 0.000 0.293 243 S C -0.202 174.493 174.600 0.158 0.000 1.159 243 S CA -0.243 57.814 58.200 -0.238 0.000 0.847 243 S CB 1.482 64.414 63.200 -0.446 0.000 1.169 243 S HN 0.974 nan 8.310 nan 0.000 0.501 244 T N -0.566 114.072 114.554 0.141 0.000 2.860 244 T HA 0.213 4.563 4.350 -0.000 0.000 0.299 244 T C 0.928 175.796 174.700 0.280 0.000 1.045 244 T CA -0.087 62.164 62.100 0.252 0.000 1.071 244 T CB 0.003 68.992 68.868 0.202 0.000 0.985 244 T HN 0.805 nan 8.240 nan 0.000 0.537 245 Y N 3.290 123.733 120.300 0.239 0.000 2.081 245 Y HA 0.021 4.571 4.550 -0.000 0.000 0.280 245 Y C -1.064 175.000 175.900 0.273 0.000 1.163 245 Y CA 1.198 59.437 58.100 0.232 0.000 1.135 245 Y CB -1.981 36.610 38.460 0.219 0.000 0.970 245 Y HN 0.519 nan 8.280 nan 0.000 0.498 246 P HA -0.129 nan 4.420 nan 0.000 0.221 246 P C 1.060 178.315 177.300 -0.075 0.000 1.145 246 P CA 2.317 65.229 63.100 -0.312 0.000 0.795 246 P CB -0.332 31.260 31.700 -0.180 0.000 0.775 247 A N -1.073 121.796 122.820 0.082 0.000 2.238 247 A HA -0.037 4.283 4.320 -0.000 0.000 0.208 247 A C 1.136 178.873 177.584 0.255 0.000 1.177 247 A CA -0.059 52.084 52.037 0.177 0.000 0.804 247 A CB -0.973 18.137 19.000 0.183 0.000 0.823 247 A HN 0.088 nan 8.150 nan 0.000 0.482 248 K N -0.080 120.490 120.400 0.283 0.000 2.524 248 K HA 0.223 4.543 4.320 -0.000 0.000 0.279 248 K C 1.190 177.906 176.600 0.193 0.000 0.993 248 K CA 1.021 57.441 56.287 0.222 0.000 1.030 248 K CB -0.087 32.513 32.500 0.166 0.000 0.891 248 K HN 0.687 nan 8.250 nan 0.000 0.488 249 G N 3.790 112.598 108.800 0.014 0.000 2.258 249 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.233 249 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.233 249 G C 0.933 175.849 174.900 0.026 0.000 1.006 249 G CA 0.299 45.414 45.100 0.027 0.000 0.620 249 G HN 0.650 nan 8.290 nan 0.000 0.511 250 I N 0.592 121.202 120.570 0.067 0.000 2.208 250 I HA -0.040 4.130 4.170 -0.000 0.000 0.245 250 I C 1.097 177.177 176.117 -0.062 0.000 1.097 250 I CA 1.377 62.695 61.300 0.031 0.000 1.363 250 I CB -0.138 37.920 38.000 0.098 0.000 1.051 250 I HN 0.121 nan 8.210 nan 0.000 0.413 251 V N 1.305 121.165 119.914 -0.089 0.000 2.459 251 V HA 0.483 4.603 4.120 -0.000 0.000 0.295 251 V C 0.312 176.303 176.094 -0.172 0.000 1.029 251 V CA -1.179 61.031 62.300 -0.149 0.000 0.874 251 V CB 1.406 33.147 31.823 -0.137 0.000 0.985 251 V HN 0.247 nan 8.190 nan 0.000 0.438 252 A N 3.007 125.769 122.820 -0.096 0.000 2.567 252 A HA 0.047 4.367 4.320 -0.000 0.000 0.240 252 A C 1.231 178.777 177.584 -0.063 0.000 1.053 252 A CA 0.046 52.050 52.037 -0.054 0.000 0.755 252 A CB -0.120 18.883 19.000 0.006 0.000 0.978 252 A HN 0.932 nan 8.150 nan 0.000 0.507 253 D N 1.871 122.227 120.400 -0.074 0.000 2.190 253 D HA -0.219 4.421 4.640 -0.000 0.000 0.200 253 D C 2.013 178.384 176.300 0.117 0.000 0.992 253 D CA 1.886 55.894 54.000 0.014 0.000 0.854 253 D CB -0.035 40.791 40.800 0.044 0.000 0.936 253 D HN 0.864 nan 8.370 nan 0.000 0.462 254 R N 0.223 120.775 120.500 0.086 0.000 2.189 254 R HA -0.141 4.199 4.340 -0.000 0.000 0.223 254 R C 0.988 177.363 176.300 0.124 0.000 1.092 254 R CA 0.072 56.224 56.100 0.086 0.000 0.989 254 R CB -0.812 29.524 30.300 0.061 0.000 0.876 254 R HN 0.061 nan 8.270 nan 0.000 0.457 255 Y N 3.873 124.201 120.300 0.048 0.000 2.804 255 Y HA 0.043 4.593 4.550 -0.000 0.000 0.338 255 Y C -1.743 174.207 175.900 0.082 0.000 1.252 255 Y CA -2.499 55.643 58.100 0.070 0.000 1.576 255 Y CB 0.902 39.410 38.460 0.081 0.000 1.223 255 Y HN -0.001 nan 8.280 nan 0.000 0.536 256 P HA -0.055 nan 4.420 nan 0.000 0.225 256 P C 0.232 177.158 177.300 -0.623 0.000 1.148 256 P CA 1.836 64.668 63.100 -0.446 0.000 0.779 256 P CB 0.282 31.769 31.700 -0.355 0.000 0.780 257 A N -2.449 119.763 122.820 -1.012 0.000 2.465 257 A HA 0.132 4.452 4.320 -0.000 0.000 0.255 257 A C -0.016 177.492 177.584 -0.127 0.000 1.274 257 A CA -0.318 51.336 52.037 -0.639 0.000 0.920 257 A CB -0.908 17.749 19.000 -0.571 0.000 1.033 257 A HN 0.050 nan 8.150 nan 0.000 0.516 258 Y N 1.043 121.271 120.300 -0.120 0.000 2.436 258 Y HA 0.346 4.896 4.550 -0.000 0.000 0.336 258 Y C 0.751 176.639 175.900 -0.019 0.000 1.049 258 Y CA -0.591 57.572 58.100 0.106 0.000 1.294 258 Y CB 0.475 39.067 38.460 0.219 0.000 1.179 258 Y HN 0.187 nan 8.280 nan 0.000 0.520 259 L N 5.433 126.313 121.223 -0.571 0.000 2.416 259 L HA 0.275 4.615 4.340 -0.000 0.000 0.216 259 L C 1.380 177.829 176.870 -0.702 0.000 1.098 259 L CA 0.604 55.123 54.840 -0.535 0.000 0.840 259 L CB -0.674 41.142 42.059 -0.404 0.000 0.981 259 L HN 1.001 nan 8.230 nan 0.000 0.462 260 G N 0.307 108.355 108.800 -1.253 0.000 2.472 260 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.205 260 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.205 260 G C -0.374 174.257 174.900 -0.448 0.000 1.270 260 G CA -0.254 44.370 45.100 -0.794 0.000 0.974 260 G HN 0.336 nan 8.290 nan 0.000 0.542 261 S N -0.425 115.164 115.700 -0.186 0.000 2.664 261 S HA 0.963 5.433 4.470 -0.000 0.000 0.304 261 S C 0.313 174.830 174.600 -0.138 0.000 1.099 261 S CA 0.637 58.789 58.200 -0.080 0.000 1.003 261 S CB 1.848 65.135 63.200 0.144 0.000 1.092 261 S HN 2.437 nan 8.310 nan 0.000 0.525 262 A N 0.971 123.725 122.820 -0.110 0.000 2.261 262 A HA 0.771 5.091 4.320 -0.000 0.000 0.323 262 A C 0.703 178.317 177.584 0.049 0.000 1.107 262 A CA -0.205 51.771 52.037 -0.102 0.000 0.883 262 A CB -0.048 18.839 19.000 -0.188 0.000 1.251 262 A HN 1.288 nan 8.150 nan 0.000 0.502 263 N N -1.387 117.302 118.700 -0.017 0.000 1.736 263 N HA -0.230 4.510 4.740 -0.000 0.000 0.186 263 N C 1.187 176.601 175.510 -0.160 0.000 0.790 263 N CA 1.619 54.592 53.050 -0.127 0.000 1.247 263 N CB -0.917 37.379 38.487 -0.318 0.000 1.496 263 N HN 0.750 nan 8.380 nan 0.000 0.424 264 R N 0.385 120.777 120.500 -0.179 0.000 2.167 264 R HA 0.341 4.681 4.340 -0.000 0.000 0.195 264 R C 0.214 176.550 176.300 0.062 0.000 1.027 264 R CA 0.725 56.772 56.100 -0.088 0.000 1.114 264 R CB 0.309 30.533 30.300 -0.128 0.000 1.075 264 R HN 0.208 nan 8.270 nan 0.000 0.538 265 V N 2.665 122.636 119.914 0.096 0.000 2.229 265 V HA 0.401 4.520 4.120 -0.000 0.000 0.245 265 V C -0.223 175.870 176.094 -0.001 0.000 1.243 265 V CA 0.183 62.478 62.300 -0.007 0.000 1.176 265 V CB -0.006 31.661 31.823 -0.260 0.000 1.323 265 V HN 0.412 nan 8.190 nan 0.000 0.499 266 A N 4.495 127.315 122.820 -0.001 0.000 2.602 266 A HA 0.854 5.174 4.320 -0.000 0.000 0.290 266 A C -1.085 176.456 177.584 -0.072 0.000 1.114 266 A CA -0.798 51.212 52.037 -0.043 0.000 0.683 266 A CB 1.859 20.807 19.000 -0.087 0.000 1.281 266 A HN 0.489 nan 8.150 nan 0.000 0.416 267 Q N 0.599 120.268 119.800 -0.218 0.000 2.356 267 Q HA 0.296 4.636 4.340 -0.000 0.000 0.270 267 Q C 0.273 175.770 176.000 -0.839 0.000 1.058 267 Q CA -0.762 54.770 55.803 -0.452 0.000 0.802 267 Q CB 2.668 31.234 28.738 -0.287 0.000 1.303 267 Q HN 0.877 nan 8.270 nan 0.000 0.444 268 K N 2.460 121.978 120.400 -1.470 0.000 2.052 268 K HA -0.215 4.105 4.320 -0.000 0.000 0.215 268 K C -1.055 175.111 176.600 -0.723 0.000 1.053 268 K CA 2.236 57.891 56.287 -1.053 0.000 0.934 268 K CB -0.621 31.182 32.500 -1.163 0.000 0.717 268 K HN 0.329 nan 8.250 nan 0.000 0.450 269 P HA -0.104 nan 4.420 nan 0.000 0.218 269 P C 0.809 177.869 177.300 -0.400 0.000 1.149 269 P CA 1.788 64.595 63.100 -0.487 0.000 0.817 269 P CB -0.026 31.401 31.700 -0.456 0.000 0.785 270 A N -0.402 122.156 122.820 -0.437 0.000 1.872 270 A HA -0.188 4.132 4.320 -0.000 0.000 0.214 270 A C 2.188 179.587 177.584 -0.309 0.000 1.187 270 A CA 1.654 53.465 52.037 -0.376 0.000 0.614 270 A CB -1.405 17.349 19.000 -0.410 0.000 0.826 270 A HN 0.092 nan 8.150 nan 0.000 0.442 271 N N 0.085 118.604 118.700 -0.302 0.000 2.084 271 N HA -0.141 4.599 4.740 -0.000 0.000 0.190 271 N C 1.707 177.109 175.510 -0.179 0.000 1.030 271 N CA 1.666 54.578 53.050 -0.230 0.000 0.849 271 N CB -0.413 37.938 38.487 -0.227 0.000 1.012 271 N HN 0.653 nan 8.380 nan 0.000 0.423 272 E N 0.506 120.590 120.200 -0.194 0.000 2.051 272 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 272 E C 1.952 178.521 176.600 -0.051 0.000 0.991 272 E CA 1.165 57.489 56.400 -0.127 0.000 0.799 272 E CB -0.116 29.495 29.700 -0.148 0.000 0.748 272 E HN 0.350 nan 8.360 nan 0.000 0.449 273 A N 1.313 124.086 122.820 -0.079 0.000 1.902 273 A HA -0.173 4.146 4.320 -0.000 0.000 0.217 273 A C 2.183 179.869 177.584 0.171 0.000 1.181 273 A CA 1.058 53.130 52.037 0.059 0.000 0.623 273 A CB -0.620 18.324 19.000 -0.095 0.000 0.818 273 A HN 0.223 nan 8.150 nan 0.000 0.443 274 L N -0.114 121.117 121.223 0.014 0.000 2.081 274 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 274 L C 2.607 179.506 176.870 0.049 0.000 1.080 274 L CA 2.219 57.070 54.840 0.018 0.000 0.754 274 L CB -0.667 41.323 42.059 -0.115 0.000 0.893 274 L HN 0.357 nan 8.230 nan 0.000 0.433 275 A N -1.755 121.075 122.820 0.017 0.000 2.015 275 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 275 A C 2.072 179.683 177.584 0.045 0.000 1.163 275 A CA 1.252 53.295 52.037 0.011 0.000 0.646 275 A CB -0.315 18.672 19.000 -0.022 0.000 0.806 275 A HN 0.572 nan 8.150 nan 0.000 0.448 276 Q N -0.448 119.417 119.800 0.109 0.000 2.376 276 Q HA 0.280 4.620 4.340 -0.000 0.000 0.206 276 Q C 0.982 176.963 176.000 -0.031 0.000 0.921 276 Q CA 0.677 56.545 55.803 0.108 0.000 0.911 276 Q CB -0.579 28.341 28.738 0.304 0.000 1.032 276 Q HN 0.568 nan 8.270 nan 0.000 0.510 277 A N 2.771 125.605 122.820 0.024 0.000 2.511 277 A HA 0.045 4.365 4.320 -0.000 0.000 0.242 277 A C 0.780 178.307 177.584 -0.095 0.000 1.069 277 A CA 0.322 52.301 52.037 -0.096 0.000 0.763 277 A CB 0.163 19.225 19.000 0.103 0.000 1.001 277 A HN 0.257 nan 8.150 nan 0.000 0.498 278 D N 1.031 121.326 120.400 -0.176 0.000 2.338 278 D HA 0.068 4.708 4.640 -0.000 0.000 0.208 278 D C 0.068 176.354 176.300 -0.022 0.000 0.997 278 D CA 0.535 54.471 54.000 -0.106 0.000 0.880 278 D CB -0.064 40.651 40.800 -0.141 0.000 0.980 278 D HN 0.186 nan 8.370 nan 0.000 0.509 279 V N 1.056 120.974 119.914 0.007 0.000 2.638 279 V HA 0.393 4.513 4.120 -0.000 0.000 0.306 279 V C -0.644 175.501 176.094 0.086 0.000 1.052 279 V CA -0.983 61.369 62.300 0.086 0.000 0.885 279 V CB 2.607 34.502 31.823 0.118 0.000 0.999 279 V HN -0.082 nan 8.190 nan 0.000 0.424 280 V N 5.536 125.491 119.914 0.068 0.000 2.409 280 V HA 0.434 4.554 4.120 -0.000 0.000 0.291 280 V C -0.470 175.550 176.094 -0.123 0.000 1.020 280 V CA -0.622 61.698 62.300 0.033 0.000 0.848 280 V CB 1.787 33.656 31.823 0.076 0.000 0.990 280 V HN 0.675 nan 8.190 nan 0.000 0.430 281 L N 6.211 127.429 121.223 -0.008 0.000 2.268 281 L HA 0.492 4.832 4.340 -0.000 0.000 0.289 281 L C -0.798 176.089 176.870 0.028 0.000 1.064 281 L CA 0.089 54.909 54.840 -0.034 0.000 0.824 281 L CB 0.222 42.300 42.059 0.032 0.000 1.202 281 L HN 0.528 nan 8.230 nan 0.000 0.433 282 F N 6.100 125.840 119.950 -0.351 0.000 2.350 282 F HA 0.543 5.070 4.527 -0.000 0.000 0.365 282 F C -0.570 175.144 175.800 -0.143 0.000 1.122 282 F CA -0.453 57.365 58.000 -0.304 0.000 1.139 282 F CB 0.783 39.400 39.000 -0.638 0.000 1.220 282 F HN 0.207 nan 8.300 nan 0.000 0.499 283 V N 4.796 124.586 119.914 -0.207 0.000 2.487 283 V HA 0.531 4.651 4.120 -0.000 0.000 0.298 283 V C 0.544 176.539 176.094 -0.164 0.000 1.028 283 V CA -0.714 61.520 62.300 -0.111 0.000 0.860 283 V CB 1.065 32.892 31.823 0.006 0.000 0.991 283 V HN 0.951 nan 8.190 nan 0.000 0.427 284 G N 3.197 111.921 108.800 -0.126 0.000 2.395 284 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.300 284 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.300 284 G C -0.026 174.769 174.900 -0.174 0.000 0.998 284 G CA 0.672 45.715 45.100 -0.095 0.000 1.046 284 G HN 0.738 nan 8.290 nan 0.000 0.513 285 N N -0.301 118.180 118.700 -0.364 0.000 2.352 285 N HA 0.419 5.159 4.740 -0.000 0.000 0.291 285 N C -0.449 174.871 175.510 -0.317 0.000 1.040 285 N CA -0.912 51.785 53.050 -0.589 0.000 0.864 285 N CB 1.536 39.118 38.487 -1.508 0.000 1.440 285 N HN 0.075 nan 8.380 nan 0.000 0.483 286 N N 2.664 121.353 118.700 -0.018 0.000 2.517 286 N HA 0.068 4.808 4.740 -0.000 0.000 0.285 286 N C -1.247 174.441 175.510 0.296 0.000 1.528 286 N CA -0.406 52.763 53.050 0.198 0.000 0.892 286 N CB -0.236 38.329 38.487 0.130 0.000 1.356 286 N HN 0.442 nan 8.380 nan 0.000 0.495 287 Y N 2.109 122.542 120.300 0.222 0.000 2.861 287 Y HA -0.045 4.505 4.550 -0.000 0.000 0.375 287 Y C -1.353 174.678 175.900 0.217 0.000 1.293 287 Y CA -0.757 57.512 58.100 0.282 0.000 1.651 287 Y CB 0.654 39.382 38.460 0.447 0.000 1.156 287 Y HN 0.311 nan 8.280 nan 0.000 0.533 288 P HA -0.058 nan 4.420 nan 0.000 0.241 288 P C 0.377 177.269 177.300 -0.680 0.000 1.191 288 P CA 1.029 63.877 63.100 -0.419 0.000 0.771 288 P CB -0.044 31.351 31.700 -0.508 0.000 0.929 289 F N -0.559 118.986 119.950 -0.676 0.000 2.695 289 F HA 0.387 4.914 4.527 -0.000 0.000 0.303 289 F C 2.310 177.900 175.800 -0.349 0.000 1.091 289 F CA -0.120 57.559 58.000 -0.535 0.000 1.300 289 F CB -0.850 37.800 39.000 -0.584 0.000 1.071 289 F HN -0.093 nan 8.300 nan 0.000 0.578 290 A N 0.847 123.620 122.820 -0.078 0.000 1.849 290 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 290 A C 2.073 179.697 177.584 0.066 0.000 1.202 290 A CA 2.364 54.505 52.037 0.173 0.000 0.629 290 A CB -0.653 18.597 19.000 0.417 0.000 0.834 290 A HN 0.361 nan 8.150 nan 0.000 0.447 291 E N -0.398 119.843 120.200 0.069 0.000 2.046 291 E HA -0.077 4.273 4.350 -0.000 0.000 0.190 291 E C 2.096 178.717 176.600 0.033 0.000 0.982 291 E CA 1.472 57.905 56.400 0.056 0.000 0.800 291 E CB -0.573 29.155 29.700 0.046 0.000 0.756 291 E HN 0.611 nan 8.360 nan 0.000 0.449 292 V N -0.023 119.908 119.914 0.029 0.000 2.490 292 V HA -0.198 3.921 4.120 -0.000 0.000 0.250 292 V C 2.058 178.179 176.094 0.045 0.000 1.061 292 V CA 1.916 64.240 62.300 0.040 0.000 1.064 292 V CB -0.811 31.044 31.823 0.054 0.000 0.670 292 V HN 0.314 nan 8.190 nan 0.000 0.461 293 S N -0.813 114.917 115.700 0.051 0.000 2.593 293 S HA 0.126 4.596 4.470 -0.000 0.000 0.217 293 S C 0.964 175.552 174.600 -0.020 0.000 0.966 293 S CA 0.234 58.446 58.200 0.019 0.000 0.914 293 S CB -0.637 62.582 63.200 0.032 0.000 0.776 293 S HN 0.734 nan 8.310 nan 0.000 0.523 294 K N 0.306 120.695 120.400 -0.018 0.000 3.077 294 K HA -0.224 4.096 4.320 -0.000 0.000 0.264 294 K C 1.103 177.633 176.600 -0.116 0.000 1.008 294 K CA 0.437 56.704 56.287 -0.033 0.000 0.740 294 K CB -2.270 30.221 32.500 -0.014 0.000 1.273 294 K HN 0.572 nan 8.250 nan 0.000 0.477 295 A N 0.237 122.908 122.820 -0.248 0.000 1.978 295 A HA -0.107 4.213 4.320 -0.000 0.000 0.220 295 A C 1.205 178.434 177.584 -0.591 0.000 1.170 295 A CA 1.407 53.154 52.037 -0.484 0.000 0.636 295 A CB -0.278 18.301 19.000 -0.702 0.000 0.810 295 A HN 0.368 nan 8.150 nan 0.000 0.448 296 F N -0.142 119.733 119.950 -0.124 0.000 2.708 296 F HA 0.200 4.727 4.527 -0.000 0.000 0.300 296 F C 1.697 177.368 175.800 -0.215 0.000 1.118 296 F CA -0.203 57.612 58.000 -0.309 0.000 1.307 296 F CB -0.004 38.460 39.000 -0.895 0.000 0.986 296 F HN 0.320 nan 8.300 nan 0.000 0.522 297 K N -0.141 120.276 120.400 0.028 0.000 2.152 297 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 297 K C 0.635 177.274 176.600 0.064 0.000 1.048 297 K CA 1.740 58.070 56.287 0.071 0.000 0.933 297 K CB -0.153 32.364 32.500 0.029 0.000 0.721 297 K HN 0.171 nan 8.250 nan 0.000 0.447 298 N N 0.837 119.563 118.700 0.044 0.000 2.236 298 N HA 0.025 4.765 4.740 -0.000 0.000 0.196 298 N C -0.454 175.074 175.510 0.030 0.000 1.114 298 N CA 0.206 53.271 53.050 0.026 0.000 0.859 298 N CB 0.772 39.264 38.487 0.008 0.000 0.982 298 N HN 0.145 nan 8.380 nan 0.000 0.493 299 T N 0.852 115.451 114.554 0.076 0.000 2.870 299 T HA 0.108 4.457 4.350 -0.000 0.000 0.300 299 T C 1.449 176.169 174.700 0.033 0.000 0.989 299 T CA -0.126 62.026 62.100 0.088 0.000 1.139 299 T CB 2.248 71.224 68.868 0.180 0.000 0.920 299 T HN 0.145 nan 8.240 nan 0.000 0.537 300 R N 1.829 122.284 120.500 -0.074 0.000 2.057 300 R HA 0.045 4.385 4.340 -0.000 0.000 0.224 300 R C -0.374 175.698 176.300 -0.379 0.000 1.136 300 R CA 0.956 56.874 56.100 -0.302 0.000 0.968 300 R CB 0.202 30.221 30.300 -0.468 0.000 0.863 300 R HN 0.603 nan 8.270 nan 0.000 0.433 301 Y N -0.937 119.421 120.300 0.096 0.000 2.376 301 Y HA 0.354 4.904 4.550 -0.000 0.000 0.340 301 Y C -1.125 174.870 175.900 0.157 0.000 0.965 301 Y CA -1.294 56.871 58.100 0.108 0.000 1.078 301 Y CB 1.538 40.030 38.460 0.053 0.000 1.193 301 Y HN -0.045 nan 8.280 nan 0.000 0.452 302 F N 4.764 124.812 119.950 0.164 0.000 2.427 302 F HA 0.692 5.219 4.527 -0.000 0.000 0.348 302 F C -1.426 174.403 175.800 0.049 0.000 1.125 302 F CA -0.996 57.026 58.000 0.037 0.000 0.989 302 F CB 0.612 39.626 39.000 0.022 0.000 1.165 302 F HN 0.326 nan 8.300 nan 0.000 0.442 303 L N 5.434 126.490 121.223 -0.280 0.000 2.334 303 L HA 0.599 4.938 4.340 -0.000 0.000 0.276 303 L C -0.758 175.966 176.870 -0.243 0.000 1.014 303 L CA -0.799 53.948 54.840 -0.154 0.000 0.815 303 L CB 1.937 43.947 42.059 -0.080 0.000 1.268 303 L HN 0.558 nan 8.230 nan 0.000 0.428 304 Q N 2.666 122.427 119.800 -0.065 0.000 2.359 304 Q HA 0.640 4.980 4.340 -0.000 0.000 0.274 304 Q C -1.764 174.254 176.000 0.029 0.000 1.074 304 Q CA -0.628 55.181 55.803 0.011 0.000 0.810 304 Q CB 2.853 31.682 28.738 0.152 0.000 1.342 304 Q HN 0.627 nan 8.270 nan 0.000 0.427 305 I N 2.956 123.540 120.570 0.023 0.000 2.410 305 I HA 0.452 4.622 4.170 -0.000 0.000 0.286 305 I C -0.848 175.277 176.117 0.013 0.000 1.009 305 I CA -0.480 60.829 61.300 0.014 0.000 1.111 305 I CB 1.783 39.783 38.000 -0.001 0.000 1.262 305 I HN 0.511 nan 8.210 nan 0.000 0.443 306 D N 4.765 125.180 120.400 0.024 0.000 2.661 306 D HA 0.346 4.986 4.640 -0.000 0.000 0.228 306 D C 0.078 176.388 176.300 0.016 0.000 1.210 306 D CA -0.476 53.536 54.000 0.019 0.000 0.826 306 D CB 3.115 43.941 40.800 0.044 0.000 1.542 306 D HN 0.477 nan 8.370 nan 0.000 0.447 307 I N 0.826 121.400 120.570 0.008 0.000 3.226 307 I HA -0.030 4.140 4.170 -0.000 0.000 0.277 307 I C 0.064 176.186 176.117 0.009 0.000 1.243 307 I CA 0.386 61.690 61.300 0.007 0.000 1.459 307 I CB 0.408 38.411 38.000 0.005 0.000 1.093 307 I HN 0.188 nan 8.210 nan 0.000 0.453 308 D N 0.425 120.830 120.400 0.008 0.000 2.373 308 D HA 0.198 4.838 4.640 -0.000 0.000 0.227 308 D C -1.768 174.545 176.300 0.020 0.000 1.091 308 D CA -2.549 51.455 54.000 0.007 0.000 0.840 308 D CB 1.660 42.454 40.800 -0.010 0.000 1.060 308 D HN -0.077 nan 8.370 nan 0.000 0.502 309 P HA -0.116 nan 4.420 nan 0.000 0.218 309 P C 0.914 178.231 177.300 0.029 0.000 1.146 309 P CA 1.053 64.168 63.100 0.025 0.000 0.813 309 P CB 0.196 31.908 31.700 0.019 0.000 0.778 310 A N -0.486 122.349 122.820 0.024 0.000 2.125 310 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 310 A C 1.891 179.500 177.584 0.042 0.000 1.156 310 A CA 1.381 53.434 52.037 0.026 0.000 0.671 310 A CB -0.667 18.342 19.000 0.014 0.000 0.794 310 A HN 0.067 nan 8.150 nan 0.000 0.459 311 K N -0.488 119.944 120.400 0.054 0.000 2.367 311 K HA 0.267 4.587 4.320 -0.000 0.000 0.194 311 K C -0.015 176.655 176.600 0.117 0.000 1.027 311 K CA 0.008 56.349 56.287 0.090 0.000 1.075 311 K CB -0.037 32.516 32.500 0.088 0.000 0.845 311 K HN 0.444 nan 8.250 nan 0.000 0.529 312 L N 1.408 122.684 121.223 0.088 0.000 2.456 312 L HA 0.123 4.463 4.340 -0.000 0.000 0.277 312 L C 1.029 177.954 176.870 0.093 0.000 1.124 312 L CA 0.183 55.080 54.840 0.096 0.000 0.880 312 L CB 0.021 42.121 42.059 0.067 0.000 1.192 312 L HN 0.426 nan 8.230 nan 0.000 0.463 313 G N 2.547 111.423 108.800 0.127 0.000 2.179 313 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.257 313 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.257 313 G C 1.083 176.018 174.900 0.059 0.000 1.010 313 G CA 0.764 45.920 45.100 0.093 0.000 0.736 313 G HN 0.780 nan 8.290 nan 0.000 0.513 314 K N -0.428 120.032 120.400 0.101 0.000 2.031 314 K HA 0.024 4.344 4.320 -0.000 0.000 0.205 314 K C 2.440 179.081 176.600 0.067 0.000 1.049 314 K CA 0.950 57.288 56.287 0.084 0.000 0.939 314 K CB -0.129 32.439 32.500 0.114 0.000 0.717 314 K HN 0.252 nan 8.250 nan 0.000 0.438 315 R N -0.422 120.127 120.500 0.082 0.000 2.280 315 R HA 0.143 4.483 4.340 -0.000 0.000 0.195 315 R C 0.215 176.481 176.300 -0.057 0.000 0.935 315 R CA 0.415 56.550 56.100 0.058 0.000 1.033 315 R CB 0.149 30.545 30.300 0.160 0.000 0.964 315 R HN 0.382 nan 8.270 nan 0.000 0.489 316 H N -0.426 118.405 119.070 -0.399 0.000 3.060 316 H HA 0.112 4.668 4.556 -0.000 0.000 0.330 316 H C -1.143 173.934 175.328 -0.419 0.000 1.305 316 H CA -0.770 54.931 56.048 -0.578 0.000 1.209 316 H CB 2.028 30.977 29.762 -1.356 0.000 1.913 316 H HN -0.191 nan 8.280 nan 0.000 0.534 317 K N 2.196 122.177 120.400 -0.698 0.000 2.466 317 K HA 0.050 4.370 4.320 -0.000 0.000 0.278 317 K C -0.867 175.625 176.600 -0.180 0.000 1.048 317 K CA 0.711 56.771 56.287 -0.378 0.000 1.088 317 K CB 0.301 32.587 32.500 -0.356 0.000 0.884 317 K HN 0.389 nan 8.250 nan 0.000 0.478 318 T N 4.534 119.100 114.554 0.019 0.000 2.779 318 T HA 0.153 4.503 4.350 -0.000 0.000 0.280 318 T C 0.205 174.997 174.700 0.154 0.000 0.987 318 T CA -0.821 61.410 62.100 0.219 0.000 0.966 318 T CB 1.387 70.416 68.868 0.268 0.000 0.933 318 T HN 0.606 nan 8.240 nan 0.000 0.442 319 D N 1.951 122.467 120.400 0.192 0.000 2.137 319 D HA 0.064 4.704 4.640 -0.000 0.000 0.202 319 D C 0.522 176.866 176.300 0.073 0.000 0.970 319 D CA 1.127 55.207 54.000 0.133 0.000 0.837 319 D CB 0.561 41.469 40.800 0.180 0.000 0.981 319 D HN 0.464 nan 8.370 nan 0.000 0.475 320 I N 0.348 120.959 120.570 0.068 0.000 2.548 320 I HA 0.401 4.571 4.170 -0.000 0.000 0.287 320 I C -1.055 175.090 176.117 0.048 0.000 1.103 320 I CA -0.873 60.449 61.300 0.036 0.000 1.049 320 I CB 2.323 40.323 38.000 0.001 0.000 1.232 320 I HN -0.238 nan 8.210 nan 0.000 0.429 321 A N 6.486 129.337 122.820 0.051 0.000 2.293 321 A HA 0.688 5.008 4.320 -0.000 0.000 0.312 321 A C -0.563 177.044 177.584 0.038 0.000 1.309 321 A CA -0.503 51.569 52.037 0.060 0.000 0.839 321 A CB 0.986 20.036 19.000 0.084 0.000 1.155 321 A HN 0.452 nan 8.150 nan 0.000 0.501 322 V N 3.622 123.553 119.914 0.028 0.000 2.432 322 V HA 0.167 4.287 4.120 -0.000 0.000 0.271 322 V C 0.104 176.211 176.094 0.021 0.000 1.046 322 V CA -0.347 61.964 62.300 0.018 0.000 0.945 322 V CB 1.046 32.874 31.823 0.008 0.000 0.992 322 V HN 0.769 nan 8.190 nan 0.000 0.471 323 L N 6.224 127.458 121.223 0.019 0.000 2.342 323 L HA 0.708 5.048 4.340 -0.000 0.000 0.285 323 L C 0.221 177.097 176.870 0.010 0.000 1.095 323 L CA 0.779 55.630 54.840 0.018 0.000 0.843 323 L CB -0.182 41.888 42.059 0.018 0.000 1.201 323 L HN 0.899 nan 8.230 nan 0.000 0.445 324 A N 3.489 126.314 122.820 0.009 0.000 2.522 324 A HA 0.366 4.686 4.320 -0.000 0.000 0.291 324 A C -1.470 176.115 177.584 0.002 0.000 1.039 324 A CA -0.777 51.262 52.037 0.003 0.000 0.643 324 A CB 0.228 19.228 19.000 0.001 0.000 1.310 324 A HN 0.574 nan 8.150 nan 0.000 0.436 325 D N 0.769 121.169 120.400 -0.001 0.000 2.425 325 D HA 0.513 5.153 4.640 -0.000 0.000 0.247 325 D C 1.301 177.597 176.300 -0.007 0.000 1.147 325 D CA 0.829 54.828 54.000 -0.002 0.000 0.879 325 D CB 1.406 42.204 40.800 -0.003 0.000 1.179 325 D HN 0.869 nan 8.370 nan 0.000 0.456 326 A N 3.856 126.671 122.820 -0.008 0.000 1.851 326 A HA -0.259 4.061 4.320 -0.000 0.000 0.216 326 A C 1.969 179.539 177.584 -0.023 0.000 1.195 326 A CA 1.693 53.721 52.037 -0.015 0.000 0.622 326 A CB -0.825 18.165 19.000 -0.015 0.000 0.831 326 A HN 0.812 nan 8.150 nan 0.000 0.444 327 Q N -0.297 119.488 119.800 -0.025 0.000 2.050 327 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 327 Q C 2.078 178.062 176.000 -0.027 0.000 0.980 327 Q CA 1.929 57.712 55.803 -0.032 0.000 0.840 327 Q CB -0.214 28.507 28.738 -0.029 0.000 0.898 327 Q HN 0.659 nan 8.270 nan 0.000 0.424 328 K N -0.594 119.794 120.400 -0.019 0.000 2.074 328 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 328 K C 2.074 178.664 176.600 -0.017 0.000 1.048 328 K CA 1.884 58.161 56.287 -0.016 0.000 0.926 328 K CB -0.097 32.396 32.500 -0.012 0.000 0.713 328 K HN 0.301 nan 8.250 nan 0.000 0.444 329 T N 1.704 116.249 114.554 -0.016 0.000 2.851 329 T HA -0.013 4.337 4.350 -0.000 0.000 0.262 329 T C 1.954 176.643 174.700 -0.018 0.000 1.043 329 T CA 0.714 62.805 62.100 -0.015 0.000 1.140 329 T CB -0.095 68.766 68.868 -0.011 0.000 0.872 329 T HN 0.085 nan 8.240 nan 0.000 0.446 330 L N 0.966 122.175 121.223 -0.023 0.000 2.083 330 L HA -0.051 4.289 4.340 -0.000 0.000 0.209 330 L C 3.040 179.892 176.870 -0.030 0.000 1.083 330 L CA 1.088 55.911 54.840 -0.028 0.000 0.752 330 L CB -0.660 41.373 42.059 -0.042 0.000 0.899 330 L HN 0.243 nan 8.230 nan 0.000 0.433 331 A N 0.094 122.896 122.820 -0.030 0.000 1.902 331 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 331 A C 2.540 180.110 177.584 -0.023 0.000 1.181 331 A CA 1.759 53.779 52.037 -0.028 0.000 0.623 331 A CB -0.694 18.291 19.000 -0.026 0.000 0.818 331 A HN 0.396 nan 8.150 nan 0.000 0.443 332 A N -0.158 122.650 122.820 -0.020 0.000 1.933 332 A HA -0.055 4.264 4.320 -0.000 0.000 0.218 332 A C 2.117 179.691 177.584 -0.018 0.000 1.175 332 A CA 1.466 53.492 52.037 -0.017 0.000 0.628 332 A CB -0.577 18.414 19.000 -0.015 0.000 0.814 332 A HN 0.500 nan 8.150 nan 0.000 0.444 333 I N -0.985 119.574 120.570 -0.018 0.000 2.142 333 I HA -0.237 3.933 4.170 -0.000 0.000 0.240 333 I C 2.407 178.512 176.117 -0.020 0.000 1.078 333 I CA 1.253 62.543 61.300 -0.017 0.000 1.343 333 I CB -0.307 37.684 38.000 -0.015 0.000 1.046 333 I HN 0.358 nan 8.210 nan 0.000 0.405 334 L N 1.246 122.455 121.223 -0.023 0.000 2.079 334 L HA -0.176 4.163 4.340 -0.000 0.000 0.210 334 L C 2.424 179.280 176.870 -0.024 0.000 1.081 334 L CA 2.076 56.901 54.840 -0.026 0.000 0.752 334 L CB -0.735 41.305 42.059 -0.031 0.000 0.896 334 L HN 0.216 nan 8.230 nan 0.000 0.433 335 A N -1.018 121.789 122.820 -0.021 0.000 2.172 335 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 335 A C 1.864 179.437 177.584 -0.018 0.000 1.154 335 A CA 1.272 53.297 52.037 -0.019 0.000 0.701 335 A CB -0.530 18.459 19.000 -0.018 0.000 0.789 335 A HN 0.773 nan 8.150 nan 0.000 0.465 336 Q N -0.609 119.180 119.800 -0.018 0.000 2.171 336 Q HA 0.387 4.727 4.340 -0.000 0.000 0.218 336 Q C -0.017 175.972 176.000 -0.019 0.000 0.822 336 Q CA 0.207 55.999 55.803 -0.018 0.000 0.987 336 Q CB -0.081 28.647 28.738 -0.017 0.000 1.144 336 Q HN 0.473 nan 8.270 nan 0.000 0.494 337 V N -1.594 118.307 119.914 -0.021 0.000 3.113 337 V HA 0.934 5.054 4.120 -0.000 0.000 0.316 337 V C -0.411 175.667 176.094 -0.026 0.000 1.125 337 V CA -0.149 62.137 62.300 -0.024 0.000 1.026 337 V CB 1.814 33.621 31.823 -0.025 0.000 1.080 337 V HN 0.339 nan 8.190 nan 0.000 0.444 338 S N -0.172 115.510 115.700 -0.030 0.000 2.705 338 S HA 0.629 5.099 4.470 -0.000 0.000 0.280 338 S C -0.517 174.058 174.600 -0.042 0.000 1.174 338 S CA -0.575 57.606 58.200 -0.032 0.000 0.823 338 S CB 1.282 64.467 63.200 -0.026 0.000 1.162 338 S HN 1.330 nan 8.310 nan 0.000 0.487 339 E N 0.823 120.996 120.200 -0.045 0.000 2.608 339 E HA 0.074 4.424 4.350 -0.000 0.000 0.259 339 E C -0.505 176.056 176.600 -0.064 0.000 0.951 339 E CA 0.691 57.055 56.400 -0.060 0.000 0.945 339 E CB 0.273 29.944 29.700 -0.048 0.000 0.916 339 E HN 0.494 nan 8.360 nan 0.000 0.477 340 R N 4.021 124.466 120.500 -0.093 0.000 2.637 340 R HA 0.309 4.649 4.340 -0.000 0.000 0.291 340 R C -0.273 175.959 176.300 -0.115 0.000 0.963 340 R CA -0.894 55.153 56.100 -0.089 0.000 0.901 340 R CB 1.414 31.660 30.300 -0.091 0.000 1.160 340 R HN 0.608 nan 8.270 nan 0.000 0.457 341 E N 1.016 121.171 120.200 -0.074 0.000 2.404 341 E HA -0.011 4.339 4.350 -0.000 0.000 0.261 341 E C -0.089 176.455 176.600 -0.092 0.000 1.074 341 E CA -0.025 56.336 56.400 -0.065 0.000 0.917 341 E CB 0.868 30.556 29.700 -0.019 0.000 0.965 341 E HN 0.382 nan 8.360 nan 0.000 0.433 342 S N 1.439 117.092 115.700 -0.079 0.000 2.599 342 S HA -0.055 4.415 4.470 -0.000 0.000 0.303 342 S C -0.087 174.543 174.600 0.051 0.000 1.267 342 S CA 0.213 58.403 58.200 -0.017 0.000 1.055 342 S CB 0.019 63.297 63.200 0.130 0.000 0.790 342 S HN 0.532 nan 8.310 nan 0.000 0.500 343 T N 3.163 117.788 114.554 0.117 0.000 2.932 343 T HA 0.576 4.926 4.350 -0.000 0.000 0.289 343 T C -2.150 172.647 174.700 0.161 0.000 1.039 343 T CA -1.938 60.251 62.100 0.148 0.000 1.024 343 T CB 1.323 70.301 68.868 0.184 0.000 1.090 343 T HN 0.321 nan 8.240 nan 0.000 0.496 344 P HA -0.119 nan 4.420 nan 0.000 0.216 344 P C 1.348 178.750 177.300 0.171 0.000 1.154 344 P CA 1.048 64.245 63.100 0.162 0.000 0.865 344 P CB -0.095 31.749 31.700 0.241 0.000 0.789 345 W N -0.545 120.801 121.300 0.077 0.000 2.335 345 W HA -0.196 4.464 4.660 -0.000 0.000 0.311 345 W C 2.036 178.602 176.519 0.079 0.000 1.213 345 W CA 1.058 58.452 57.345 0.083 0.000 1.274 345 W CB -1.006 28.514 29.460 0.098 0.000 1.148 345 W HN 0.083 nan 8.180 nan 0.000 0.498 346 W N 1.702 122.933 121.300 -0.115 0.000 2.355 346 W HA -0.229 4.431 4.660 -0.000 0.000 0.309 346 W C 2.152 178.452 176.519 -0.365 0.000 1.206 346 W CA 1.529 58.722 57.345 -0.253 0.000 1.284 346 W CB -0.497 28.907 29.460 -0.092 0.000 1.145 346 W HN -0.004 nan 8.180 nan 0.000 0.502 347 Q N 0.514 120.077 119.800 -0.394 0.000 2.119 347 Q HA -0.119 4.221 4.340 -0.000 0.000 0.201 347 Q C 2.466 177.953 176.000 -0.854 0.000 0.972 347 Q CA 1.820 57.116 55.803 -0.844 0.000 0.847 347 Q CB -1.016 26.931 28.738 -1.319 0.000 0.903 347 Q HN 0.390 nan 8.270 nan 0.000 0.433 348 A N 1.778 124.283 122.820 -0.525 0.000 1.877 348 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 348 A C 1.929 179.328 177.584 -0.309 0.000 1.186 348 A CA 1.525 53.508 52.037 -0.090 0.000 0.620 348 A CB -0.557 18.515 19.000 0.121 0.000 0.822 348 A HN 0.348 nan 8.150 nan 0.000 0.443 349 N N 0.091 118.474 118.700 -0.529 0.000 2.104 349 N HA -0.120 4.620 4.740 -0.000 0.000 0.190 349 N C 1.785 176.952 175.510 -0.573 0.000 1.024 349 N CA 1.547 54.239 53.050 -0.596 0.000 0.853 349 N CB -0.399 37.633 38.487 -0.758 0.000 1.008 349 N HN 0.494 nan 8.380 nan 0.000 0.424 350 L N 1.003 121.816 121.223 -0.685 0.000 2.017 350 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 350 L C 2.606 179.182 176.870 -0.490 0.000 1.073 350 L CA 1.160 55.611 54.840 -0.648 0.000 0.745 350 L CB -0.582 41.022 42.059 -0.759 0.000 0.894 350 L HN 0.119 nan 8.230 nan 0.000 0.432 351 A N 0.248 122.771 122.820 -0.495 0.000 1.908 351 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 351 A C 2.062 179.133 177.584 -0.856 0.000 1.181 351 A CA 2.315 54.002 52.037 -0.584 0.000 0.627 351 A CB -0.759 17.940 19.000 -0.501 0.000 0.818 351 A HN 0.464 nan 8.150 nan 0.000 0.445 352 N N -0.076 118.154 118.700 -0.783 0.000 2.120 352 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 352 N C 1.526 176.893 175.510 -0.239 0.000 1.024 352 N CA 1.709 54.471 53.050 -0.479 0.000 0.852 352 N CB -0.398 37.956 38.487 -0.221 0.000 1.003 352 N HN 0.161 nan 8.380 nan 0.000 0.424 353 V N 1.120 120.878 119.914 -0.261 0.000 2.287 353 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 353 V C 2.335 178.400 176.094 -0.049 0.000 1.053 353 V CA 1.627 63.850 62.300 -0.129 0.000 1.027 353 V CB -0.467 31.230 31.823 -0.210 0.000 0.646 353 V HN 0.371 nan 8.190 nan 0.000 0.447 354 K N -0.004 120.305 120.400 -0.152 0.000 2.044 354 K HA -0.265 4.055 4.320 -0.000 0.000 0.210 354 K C 2.190 178.764 176.600 -0.044 0.000 1.049 354 K CA 1.903 58.124 56.287 -0.110 0.000 0.927 354 K CB -0.505 31.901 32.500 -0.156 0.000 0.713 354 K HN 0.542 nan 8.250 nan 0.000 0.443 355 N N 0.447 119.120 118.700 -0.047 0.000 2.104 355 N HA -0.216 4.523 4.740 -0.000 0.000 0.190 355 N C 1.757 177.360 175.510 0.156 0.000 1.024 355 N CA 1.199 54.290 53.050 0.068 0.000 0.853 355 N CB -0.163 38.405 38.487 0.136 0.000 1.008 355 N HN 0.428 nan 8.380 nan 0.000 0.424 356 W N 1.915 123.195 121.300 -0.033 0.000 2.355 356 W HA -0.115 4.545 4.660 -0.000 0.000 0.309 356 W C 1.895 178.442 176.519 0.047 0.000 1.206 356 W CA 0.818 58.165 57.345 0.003 0.000 1.284 356 W CB -0.172 29.251 29.460 -0.062 0.000 1.145 356 W HN 0.105 nan 8.180 nan 0.000 0.502 357 R N 0.220 120.692 120.500 -0.047 0.000 2.115 357 R HA -0.097 4.243 4.340 -0.000 0.000 0.230 357 R C 2.475 178.677 176.300 -0.164 0.000 1.111 357 R CA 1.341 57.335 56.100 -0.176 0.000 0.976 357 R CB -0.685 29.577 30.300 -0.063 0.000 0.870 357 R HN 0.146 nan 8.270 nan 0.000 0.445 358 A N 0.500 123.272 122.820 -0.080 0.000 1.930 358 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 358 A C 1.920 179.452 177.584 -0.086 0.000 1.175 358 A CA 0.974 52.972 52.037 -0.065 0.000 0.627 358 A CB -0.609 18.382 19.000 -0.015 0.000 0.815 358 A HN 0.438 nan 8.150 nan 0.000 0.443 359 Y N 0.865 121.041 120.300 -0.206 0.000 2.097 359 Y HA -0.224 4.326 4.550 -0.000 0.000 0.282 359 Y C 1.917 177.597 175.900 -0.367 0.000 1.152 359 Y CA 2.041 59.982 58.100 -0.264 0.000 1.136 359 Y CB -0.450 37.843 38.460 -0.278 0.000 0.975 359 Y HN 0.214 nan 8.280 nan 0.000 0.498 360 L N -0.091 120.737 121.223 -0.658 0.000 2.046 360 L HA -0.224 4.115 4.340 -0.000 0.000 0.208 360 L C 2.822 179.474 176.870 -0.363 0.000 1.077 360 L CA 1.209 55.667 54.840 -0.636 0.000 0.747 360 L CB -1.149 40.541 42.059 -0.614 0.000 0.896 360 L HN 0.372 nan 8.230 nan 0.000 0.432 361 A N 0.383 123.040 122.820 -0.271 0.000 1.902 361 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 361 A C 2.562 180.030 177.584 -0.194 0.000 1.181 361 A CA 2.024 53.953 52.037 -0.180 0.000 0.623 361 A CB -0.719 18.205 19.000 -0.127 0.000 0.818 361 A HN 0.535 nan 8.150 nan 0.000 0.443 362 S N 0.221 115.782 115.700 -0.231 0.000 2.382 362 S HA -0.134 4.336 4.470 -0.000 0.000 0.228 362 S C 1.900 176.351 174.600 -0.248 0.000 1.027 362 S CA 1.522 59.599 58.200 -0.205 0.000 0.991 362 S CB -0.805 62.289 63.200 -0.176 0.000 0.823 362 S HN 0.469 nan 8.310 nan 0.000 0.469 363 L N 1.085 122.067 121.223 -0.403 0.000 2.027 363 L HA -0.061 4.279 4.340 -0.000 0.000 0.206 363 L C 2.981 179.735 176.870 -0.194 0.000 1.074 363 L CA 1.808 56.412 54.840 -0.393 0.000 0.745 363 L CB -0.748 40.804 42.059 -0.845 0.000 0.898 363 L HN 0.363 nan 8.230 nan 0.000 0.433 364 E N 0.095 120.171 120.200 -0.206 0.000 2.110 364 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 364 E C 1.232 177.758 176.600 -0.124 0.000 0.988 364 E CA 1.229 57.531 56.400 -0.163 0.000 0.804 364 E CB 0.002 29.612 29.700 -0.149 0.000 0.745 364 E HN 0.432 nan 8.360 nan 0.000 0.458 365 D N 0.532 120.862 120.400 -0.117 0.000 2.340 365 D HA 0.016 4.656 4.640 -0.000 0.000 0.220 365 D C -0.184 176.072 176.300 -0.074 0.000 1.039 365 D CA 0.291 54.237 54.000 -0.091 0.000 0.866 365 D CB 0.129 40.879 40.800 -0.084 0.000 0.913 365 D HN 0.052 nan 8.370 nan 0.000 0.523 366 K N 0.932 121.290 120.400 -0.071 0.000 2.489 366 K HA 0.018 4.338 4.320 -0.000 0.000 0.278 366 K C 1.114 177.684 176.600 -0.049 0.000 1.000 366 K CA 0.312 56.569 56.287 -0.051 0.000 1.012 366 K CB 0.911 33.389 32.500 -0.037 0.000 0.903 366 K HN -0.034 nan 8.250 nan 0.000 0.485 367 Q N 1.399 121.175 119.800 -0.040 0.000 2.316 367 Q HA 0.084 4.424 4.340 -0.000 0.000 0.235 367 Q C -0.270 175.711 176.000 -0.031 0.000 0.863 367 Q CA 0.524 56.305 55.803 -0.038 0.000 0.939 367 Q CB 1.045 29.763 28.738 -0.033 0.000 1.108 367 Q HN 0.648 nan 8.270 nan 0.000 0.522 368 E N -1.354 118.830 120.200 -0.027 0.000 2.375 368 E HA 0.496 4.846 4.350 -0.000 0.000 0.280 368 E C -0.748 175.842 176.600 -0.018 0.000 0.972 368 E CA -0.004 56.384 56.400 -0.021 0.000 0.782 368 E CB 1.624 31.314 29.700 -0.017 0.000 1.229 368 E HN 0.146 nan 8.360 nan 0.000 0.439 369 G N 2.479 111.269 108.800 -0.016 0.000 2.352 369 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.324 369 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.324 369 G C -2.850 172.041 174.900 -0.015 0.000 1.249 369 G CA -0.824 44.268 45.100 -0.014 0.000 1.053 369 G HN 0.439 nan 8.290 nan 0.000 0.492 370 P HA 0.417 nan 4.420 nan 0.000 0.266 370 P C 0.096 177.380 177.300 -0.026 0.000 1.215 370 P CA -0.366 62.722 63.100 -0.019 0.000 0.763 370 P CB 0.757 32.447 31.700 -0.018 0.000 0.806 371 L N 4.468 125.672 121.223 -0.032 0.000 2.499 371 L HA 0.050 4.390 4.340 -0.000 0.000 0.273 371 L C 0.256 177.084 176.870 -0.070 0.000 1.195 371 L CA 0.988 55.801 54.840 -0.045 0.000 0.882 371 L CB -0.333 41.703 42.059 -0.039 0.000 1.133 371 L HN 0.396 nan 8.230 nan 0.000 0.483 372 Q N 3.007 122.745 119.800 -0.105 0.000 2.359 372 Q HA 0.551 4.891 4.340 -0.000 0.000 0.275 372 Q C 0.868 176.718 176.000 -0.251 0.000 1.082 372 Q CA -0.277 55.392 55.803 -0.224 0.000 0.849 372 Q CB 1.586 30.147 28.738 -0.296 0.000 1.377 372 Q HN 0.786 nan 8.270 nan 0.000 0.452 373 A N 0.384 122.993 122.820 -0.352 0.000 2.024 373 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 373 A C 1.325 178.802 177.584 -0.179 0.000 1.164 373 A CA 1.642 53.612 52.037 -0.112 0.000 0.643 373 A CB -0.633 18.279 19.000 -0.147 0.000 0.806 373 A HN 0.744 nan 8.150 nan 0.000 0.451 374 Y N -0.066 120.145 120.300 -0.147 0.000 2.181 374 Y HA -0.176 4.374 4.550 -0.000 0.000 0.288 374 Y C 2.571 178.220 175.900 -0.420 0.000 1.146 374 Y CA 1.522 59.342 58.100 -0.466 0.000 1.164 374 Y CB -0.997 37.239 38.460 -0.374 0.000 0.982 374 Y HN 0.373 nan 8.280 nan 0.000 0.515 375 Q N -0.274 119.458 119.800 -0.112 0.000 2.187 375 Q HA -0.052 4.288 4.340 -0.000 0.000 0.199 375 Q C 2.376 178.254 176.000 -0.203 0.000 0.957 375 Q CA 1.173 56.888 55.803 -0.147 0.000 0.857 375 Q CB -0.566 28.109 28.738 -0.104 0.000 0.929 375 Q HN 0.313 nan 8.270 nan 0.000 0.453 376 V N 0.703 120.524 119.914 -0.155 0.000 2.332 376 V HA -0.263 3.856 4.120 -0.000 0.000 0.248 376 V C 2.013 178.002 176.094 -0.175 0.000 1.055 376 V CA 1.652 63.847 62.300 -0.175 0.000 1.038 376 V CB -0.538 31.230 31.823 -0.092 0.000 0.651 376 V HN 0.331 nan 8.190 nan 0.000 0.450 377 L N -0.430 120.755 121.223 -0.064 0.000 2.156 377 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 377 L C 2.755 179.524 176.870 -0.169 0.000 1.095 377 L CA 1.195 55.996 54.840 -0.065 0.000 0.770 377 L CB -0.620 41.425 42.059 -0.024 0.000 0.914 377 L HN 0.249 nan 8.230 nan 0.000 0.439 378 R N 0.991 121.358 120.500 -0.222 0.000 2.073 378 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 378 R C 2.177 178.317 176.300 -0.268 0.000 1.134 378 R CA 1.787 57.764 56.100 -0.205 0.000 0.952 378 R CB -0.353 29.833 30.300 -0.190 0.000 0.850 378 R HN 0.331 nan 8.270 nan 0.000 0.433 379 A N 0.519 123.074 122.820 -0.443 0.000 1.933 379 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 379 A C 2.460 179.652 177.584 -0.654 0.000 1.175 379 A CA 1.660 53.249 52.037 -0.746 0.000 0.628 379 A CB -0.575 17.554 19.000 -1.451 0.000 0.814 379 A HN 0.216 nan 8.150 nan 0.000 0.444 380 V N 0.978 120.613 119.914 -0.466 0.000 2.261 380 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 380 V C 2.333 178.361 176.094 -0.109 0.000 1.047 380 V CA 2.175 64.390 62.300 -0.143 0.000 1.015 380 V CB -1.013 30.715 31.823 -0.158 0.000 0.642 380 V HN 0.556 nan 8.190 nan 0.000 0.446 381 N N 0.301 118.927 118.700 -0.124 0.000 2.094 381 N HA -0.175 4.565 4.740 -0.000 0.000 0.191 381 N C 1.768 177.270 175.510 -0.014 0.000 1.023 381 N CA 1.277 54.291 53.050 -0.059 0.000 0.857 381 N CB -0.324 38.121 38.487 -0.070 0.000 1.013 381 N HN 0.428 nan 8.380 nan 0.000 0.426 382 K N 0.862 121.235 120.400 -0.045 0.000 2.217 382 K HA 0.008 4.328 4.320 -0.000 0.000 0.202 382 K C 1.882 178.515 176.600 0.055 0.000 1.051 382 K CA 0.519 56.799 56.287 -0.011 0.000 0.952 382 K CB -0.011 32.458 32.500 -0.052 0.000 0.736 382 K HN 0.474 nan 8.250 nan 0.000 0.453 383 I N -2.511 118.132 120.570 0.122 0.000 3.883 383 I HA 0.239 4.409 4.170 -0.000 0.000 0.326 383 I C 0.545 176.825 176.117 0.271 0.000 1.283 383 I CA -0.392 61.031 61.300 0.205 0.000 1.161 383 I CB 0.250 38.427 38.000 0.294 0.000 1.012 383 I HN -0.267 nan 8.210 nan 0.000 0.421 384 A N 1.785 124.760 122.820 0.258 0.000 2.409 384 A HA 0.335 4.655 4.320 -0.000 0.000 0.267 384 A C 0.044 177.751 177.584 0.205 0.000 1.127 384 A CA -0.172 52.058 52.037 0.321 0.000 0.795 384 A CB -0.014 19.134 19.000 0.247 0.000 1.061 384 A HN 0.514 nan 8.150 nan 0.000 0.502 385 E N 3.220 123.531 120.200 0.186 0.000 2.373 385 E HA 0.171 4.521 4.350 -0.000 0.000 0.263 385 E C -1.323 175.339 176.600 0.103 0.000 1.073 385 E CA -1.626 54.836 56.400 0.105 0.000 0.894 385 E CB 0.757 30.492 29.700 0.059 0.000 1.008 385 E HN 0.502 nan 8.360 nan 0.000 0.420 386 P HA -0.170 nan 4.420 nan 0.000 0.223 386 P C 0.125 177.464 177.300 0.066 0.000 1.144 386 P CA 1.283 64.425 63.100 0.069 0.000 0.783 386 P CB 0.182 31.910 31.700 0.046 0.000 0.771 387 D N -1.460 118.967 120.400 0.045 0.000 2.501 387 D HA 0.221 4.861 4.640 -0.000 0.000 0.226 387 D C 0.393 176.692 176.300 -0.003 0.000 1.198 387 D CA -0.716 53.294 54.000 0.017 0.000 0.830 387 D CB -0.471 40.321 40.800 -0.013 0.000 1.014 387 D HN -0.029 nan 8.370 nan 0.000 0.496 388 A N 0.647 123.483 122.820 0.027 0.000 2.507 388 A HA 0.376 4.696 4.320 -0.000 0.000 0.235 388 A C 0.267 177.782 177.584 -0.115 0.000 1.070 388 A CA 0.048 52.052 52.037 -0.055 0.000 0.768 388 A CB 0.130 19.120 19.000 -0.017 0.000 1.011 388 A HN 0.387 nan 8.150 nan 0.000 0.502 389 I N 0.833 121.296 120.570 -0.179 0.000 2.404 389 I HA 0.341 4.511 4.170 -0.000 0.000 0.293 389 I C -1.287 174.746 176.117 -0.139 0.000 0.992 389 I CA -0.332 60.928 61.300 -0.066 0.000 1.149 389 I CB 1.530 39.516 38.000 -0.024 0.000 1.315 389 I HN 0.596 nan 8.210 nan 0.000 0.446 390 Y N 3.754 124.182 120.300 0.213 0.000 2.334 390 Y HA 0.331 4.881 4.550 0.000 0.000 0.336 390 Y C 0.445 176.460 175.900 0.192 0.000 0.960 390 Y CA -0.616 57.624 58.100 0.234 0.000 1.164 390 Y CB 1.908 40.478 38.460 0.184 0.000 1.155 390 Y HN 0.417 nan 8.280 nan 0.000 0.478 391 S N 5.124 120.995 115.700 0.285 0.000 2.422 391 S HA 0.634 5.104 4.470 -0.000 0.000 0.298 391 S C -0.687 174.040 174.600 0.211 0.000 1.118 391 S CA -0.414 57.908 58.200 0.202 0.000 1.083 391 S CB -0.298 62.984 63.200 0.137 0.000 0.971 391 S HN 0.573 nan 8.310 nan 0.000 0.478 392 I N 4.413 125.096 120.570 0.188 0.000 2.433 392 I HA 0.341 4.511 4.170 -0.000 0.000 0.292 392 I C 0.713 176.890 176.117 0.100 0.000 1.001 392 I CA -0.778 60.620 61.300 0.163 0.000 1.119 392 I CB 1.589 39.711 38.000 0.204 0.000 1.289 392 I HN 0.611 nan 8.210 nan 0.000 0.438 393 D N 4.047 124.483 120.400 0.061 0.000 2.315 393 D HA 0.320 4.960 4.640 -0.000 0.000 0.275 393 D C -0.830 175.453 176.300 -0.028 0.000 1.218 393 D CA 0.102 54.114 54.000 0.020 0.000 1.040 393 D CB 1.386 42.195 40.800 0.015 0.000 1.123 393 D HN 0.100 nan 8.370 nan 0.000 0.541 394 V N -0.361 119.508 119.914 -0.074 0.000 2.531 394 V HA 0.670 4.790 4.120 -0.000 0.000 0.301 394 V C 0.705 176.655 176.094 -0.240 0.000 1.034 394 V CA 0.222 62.420 62.300 -0.171 0.000 0.865 394 V CB 0.909 32.650 31.823 -0.138 0.000 0.995 394 V HN 0.901 nan 8.190 nan 0.000 0.424 395 G N 3.632 112.149 108.800 -0.471 0.000 2.347 395 G HA2 0.000 3.960 3.960 -0.000 0.000 0.224 395 G HA3 0.000 3.960 3.960 -0.000 0.000 0.224 395 G C -0.078 174.514 174.900 -0.513 0.000 1.318 395 G CA 0.058 44.870 45.100 -0.479 0.000 1.016 395 G HN 0.423 nan 8.290 nan 0.000 0.469 396 D N -0.315 120.073 120.400 -0.019 0.000 2.228 396 D HA -0.097 4.543 4.640 -0.000 0.000 0.203 396 D C 2.365 178.584 176.300 -0.135 0.000 0.988 396 D CA 1.248 55.314 54.000 0.109 0.000 0.864 396 D CB -0.009 40.876 40.800 0.141 0.000 0.928 396 D HN 0.283 nan 8.370 nan 0.000 0.469 397 I N 1.372 121.787 120.570 -0.258 0.000 2.335 397 I HA -0.277 3.893 4.170 -0.000 0.000 0.251 397 I C 1.339 177.297 176.117 -0.265 0.000 1.129 397 I CA 1.372 62.461 61.300 -0.351 0.000 1.402 397 I CB -0.391 37.394 38.000 -0.358 0.000 1.069 397 I HN -0.038 nan 8.210 nan 0.000 0.424 398 N N 0.166 118.675 118.700 -0.318 0.000 2.084 398 N HA -0.186 4.554 4.740 -0.000 0.000 0.190 398 N C 1.951 177.203 175.510 -0.431 0.000 1.030 398 N CA 1.645 54.457 53.050 -0.396 0.000 0.849 398 N CB -0.410 37.737 38.487 -0.567 0.000 1.012 398 N HN 0.444 nan 8.380 nan 0.000 0.423 399 L N 0.814 121.868 121.223 -0.282 0.000 2.017 399 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 399 L C 1.575 178.430 176.870 -0.026 0.000 1.073 399 L CA 1.446 56.245 54.840 -0.068 0.000 0.745 399 L CB -0.210 41.982 42.059 0.222 0.000 0.894 399 L HN 0.220 nan 8.230 nan 0.000 0.432 400 N N 0.386 119.075 118.700 -0.019 0.000 2.135 400 N HA -0.118 4.621 4.740 -0.000 0.000 0.186 400 N C 1.851 177.393 175.510 0.052 0.000 1.027 400 N CA 1.505 54.600 53.050 0.076 0.000 0.849 400 N CB -0.383 38.122 38.487 0.029 0.000 1.002 400 N HN 0.494 nan 8.380 nan 0.000 0.425 401 A N 1.336 124.119 122.820 -0.062 0.000 1.902 401 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 401 A C 2.146 179.701 177.584 -0.048 0.000 1.181 401 A CA 1.773 53.770 52.037 -0.066 0.000 0.623 401 A CB -0.831 18.121 19.000 -0.080 0.000 0.818 401 A HN 0.340 nan 8.150 nan 0.000 0.443 402 N N -0.348 118.342 118.700 -0.017 0.000 2.104 402 N HA -0.169 4.571 4.740 -0.000 0.000 0.190 402 N C 1.862 177.389 175.510 0.028 0.000 1.024 402 N CA 1.922 55.007 53.050 0.058 0.000 0.853 402 N CB -0.257 38.240 38.487 0.016 0.000 1.008 402 N HN 0.532 nan 8.380 nan 0.000 0.424 403 R N -1.461 119.012 120.500 -0.045 0.000 2.075 403 R HA 0.019 4.359 4.340 -0.000 0.000 0.226 403 R C 1.707 177.838 176.300 -0.281 0.000 1.114 403 R CA 1.149 57.157 56.100 -0.152 0.000 0.972 403 R CB -0.209 29.909 30.300 -0.305 0.000 0.869 403 R HN 0.471 nan 8.270 nan 0.000 0.437 404 H N -0.062 118.989 119.070 -0.031 0.000 2.516 404 H HA 0.172 4.728 4.556 -0.000 0.000 0.284 404 H C 0.665 175.929 175.328 -0.107 0.000 0.999 404 H CA 0.120 56.125 56.048 -0.072 0.000 1.303 404 H CB 0.164 29.892 29.762 -0.057 0.000 1.452 404 H HN 0.011 nan 8.280 nan 0.000 0.530 405 L N 2.161 123.351 121.223 -0.055 0.000 2.490 405 L HA 0.006 4.346 4.340 -0.000 0.000 0.274 405 L C 0.389 177.182 176.870 -0.128 0.000 1.201 405 L CA 0.492 55.217 54.840 -0.191 0.000 0.869 405 L CB 0.484 42.288 42.059 -0.424 0.000 1.123 405 L HN -0.098 nan 8.230 nan 0.000 0.484 406 K N 5.117 125.454 120.400 -0.106 0.000 2.356 406 K HA 0.455 4.775 4.320 -0.000 0.000 0.243 406 K C -0.852 175.725 176.600 -0.038 0.000 1.072 406 K CA -0.162 56.097 56.287 -0.047 0.000 1.014 406 K CB 0.574 33.063 32.500 -0.019 0.000 1.523 406 K HN 0.431 nan 8.250 nan 0.000 0.455 407 L N 1.655 122.845 121.223 -0.055 0.000 2.343 407 L HA 0.486 4.826 4.340 -0.000 0.000 0.275 407 L C 0.701 177.566 176.870 -0.009 0.000 1.056 407 L CA -0.613 54.209 54.840 -0.031 0.000 0.804 407 L CB 1.640 43.650 42.059 -0.082 0.000 1.203 407 L HN 0.545 nan 8.230 nan 0.000 0.440 408 T N -2.199 112.367 114.554 0.021 0.000 2.888 408 T HA 0.421 4.771 4.350 -0.000 0.000 0.288 408 T C -2.310 172.402 174.700 0.020 0.000 1.063 408 T CA -1.915 60.192 62.100 0.011 0.000 1.010 408 T CB 1.846 70.726 68.868 0.019 0.000 1.214 408 T HN 0.223 nan 8.240 nan 0.000 0.533 409 P HA -0.063 nan 4.420 nan 0.000 0.219 409 P C 1.486 178.795 177.300 0.016 0.000 1.144 409 P CA 0.985 64.088 63.100 0.005 0.000 0.806 409 P CB -0.092 31.599 31.700 -0.014 0.000 0.771 410 S N -1.580 114.132 115.700 0.020 0.000 2.453 410 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 410 S C 0.865 175.480 174.600 0.024 0.000 1.005 410 S CA 0.636 58.846 58.200 0.016 0.000 0.949 410 S CB -0.807 62.406 63.200 0.021 0.000 0.774 410 S HN 0.351 nan 8.310 nan 0.000 0.510 411 N N 0.833 119.573 118.700 0.067 0.000 2.463 411 N HA 0.345 5.085 4.740 -0.000 0.000 0.270 411 N C -0.189 175.389 175.510 0.113 0.000 1.205 411 N CA -0.321 52.800 53.050 0.119 0.000 0.974 411 N CB 0.560 39.176 38.487 0.216 0.000 1.197 411 N HN -0.028 nan 8.380 nan 0.000 0.504 412 R N 0.640 121.223 120.500 0.138 0.000 2.750 412 R HA 0.381 4.721 4.340 -0.000 0.000 0.281 412 R C -1.128 175.357 176.300 0.308 0.000 0.972 412 R CA -0.806 55.383 56.100 0.149 0.000 0.912 412 R CB 1.247 31.568 30.300 0.035 0.000 1.187 412 R HN 0.896 nan 8.270 nan 0.000 0.464 413 H N -0.458 118.688 119.070 0.127 0.000 2.806 413 H HA 0.754 5.310 4.556 -0.000 0.000 0.367 413 H C -0.450 174.916 175.328 0.064 0.000 1.136 413 H CA -1.034 55.103 56.048 0.148 0.000 1.178 413 H CB 1.664 31.500 29.762 0.124 0.000 1.718 413 H HN 0.573 nan 8.280 nan 0.000 0.540 414 I N 0.037 120.637 120.570 0.049 0.000 2.769 414 I HA 0.794 4.964 4.170 -0.000 0.000 0.298 414 I C -0.929 175.215 176.117 0.044 0.000 1.128 414 I CA -0.750 60.529 61.300 -0.034 0.000 1.031 414 I CB 2.546 40.550 38.000 0.008 0.000 1.235 414 I HN 0.767 nan 8.210 nan 0.000 0.423 415 T N 1.472 116.035 114.554 0.014 0.000 2.647 415 T HA 0.356 4.706 4.350 -0.000 0.000 0.295 415 T C -0.906 173.821 174.700 0.046 0.000 1.126 415 T CA -0.453 61.688 62.100 0.068 0.000 1.040 415 T CB 1.932 70.888 68.868 0.147 0.000 1.472 415 T HN 0.723 nan 8.240 nan 0.000 0.500 416 S N 1.742 117.483 115.700 0.069 0.000 2.681 416 S HA 0.225 4.695 4.470 -0.000 0.000 0.313 416 S C 1.009 175.671 174.600 0.103 0.000 1.137 416 S CA -0.605 57.647 58.200 0.087 0.000 1.045 416 S CB -0.744 62.523 63.200 0.110 0.000 1.208 416 S HN 0.535 nan 8.310 nan 0.000 0.523 417 N N 3.506 122.257 118.700 0.086 0.000 2.084 417 N HA -0.059 4.681 4.740 -0.000 0.000 0.190 417 N C 1.221 176.817 175.510 0.143 0.000 1.030 417 N CA 1.120 54.236 53.050 0.111 0.000 0.849 417 N CB -0.190 38.331 38.487 0.057 0.000 1.012 417 N HN 0.571 nan 8.380 nan 0.000 0.423 418 L N -1.755 119.550 121.223 0.137 0.000 2.600 418 L HA 0.314 4.654 4.340 -0.000 0.000 0.213 418 L C 1.469 178.451 176.870 0.187 0.000 1.045 418 L CA 0.367 55.290 54.840 0.137 0.000 0.863 418 L CB -0.483 41.653 42.059 0.127 0.000 1.189 418 L HN -0.103 nan 8.230 nan 0.000 0.484 419 F N 2.107 122.085 119.950 0.048 0.000 2.234 419 F HA 0.225 4.752 4.527 -0.000 0.000 0.299 419 F C 1.649 177.470 175.800 0.034 0.000 1.087 419 F CA 0.654 58.685 58.000 0.051 0.000 1.340 419 F CB -0.364 38.681 39.000 0.075 0.000 1.031 419 F HN 0.208 nan 8.300 nan 0.000 0.500 420 A N 0.915 123.781 122.820 0.076 0.000 2.687 420 A HA -0.260 4.059 4.320 -0.000 0.000 0.299 420 A C 0.797 178.307 177.584 -0.124 0.000 1.497 420 A CA 0.970 52.991 52.037 -0.026 0.000 0.751 420 A CB -2.665 16.312 19.000 -0.038 0.000 1.048 420 A HN 0.429 nan 8.150 nan 0.000 0.464 421 T N 0.671 115.193 114.554 -0.053 0.000 2.799 421 T HA 0.486 4.836 4.350 -0.000 0.000 0.296 421 T C 0.707 175.386 174.700 -0.035 0.000 0.947 421 T CA -0.008 62.053 62.100 -0.065 0.000 1.141 421 T CB -0.226 68.722 68.868 0.134 0.000 0.891 421 T HN 0.450 nan 8.240 nan 0.000 0.533 422 M N 4.054 123.612 119.600 -0.071 0.000 2.250 422 M HA 0.322 4.802 4.480 -0.000 0.000 0.325 422 M C 1.668 177.951 176.300 -0.028 0.000 1.084 422 M CA 1.402 56.675 55.300 -0.047 0.000 1.161 422 M CB 0.371 32.940 32.600 -0.052 0.000 1.481 422 M HN 0.982 nan 8.290 nan 0.000 0.449 423 G N 0.001 108.791 108.800 -0.016 0.000 2.213 423 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.226 423 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.226 423 G C 0.489 175.378 174.900 -0.018 0.000 0.992 423 G CA 0.281 45.367 45.100 -0.024 0.000 0.632 423 G HN 0.818 nan 8.290 nan 0.000 0.511 424 V N -0.218 119.696 119.914 -0.000 0.000 2.809 424 V HA 0.321 4.441 4.120 -0.000 0.000 0.256 424 V C 2.690 178.795 176.094 0.017 0.000 1.080 424 V CA 1.962 64.267 62.300 0.008 0.000 1.102 424 V CB -1.189 30.651 31.823 0.028 0.000 0.705 424 V HN 1.046 nan 8.190 nan 0.000 0.475 425 G N 1.337 110.154 108.800 0.028 0.000 2.631 425 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.219 425 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.219 425 G C 1.491 176.416 174.900 0.041 0.000 1.214 425 G CA 1.823 46.953 45.100 0.050 0.000 0.785 425 G HN 0.544 nan 8.290 nan 0.000 0.596 426 I N 1.971 122.553 120.570 0.019 0.000 2.142 426 I HA -0.104 4.066 4.170 -0.000 0.000 0.240 426 I C 0.067 176.180 176.117 -0.007 0.000 1.078 426 I CA 1.268 62.575 61.300 0.011 0.000 1.343 426 I CB -0.863 37.141 38.000 0.006 0.000 1.046 426 I HN 0.206 nan 8.210 nan 0.000 0.405 427 P HA -0.142 nan 4.420 nan 0.000 0.216 427 P C 1.602 178.866 177.300 -0.059 0.000 1.150 427 P CA 1.979 65.028 63.100 -0.086 0.000 0.837 427 P CB -0.310 31.314 31.700 -0.126 0.000 0.786 428 G N 0.324 109.117 108.800 -0.012 0.000 2.422 428 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 428 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 428 G C 1.758 176.688 174.900 0.050 0.000 1.146 428 G CA 0.961 46.075 45.100 0.025 0.000 0.769 428 G HN 0.369 nan 8.290 nan 0.000 0.547 429 A N 0.537 123.385 122.820 0.047 0.000 1.929 429 A HA 0.185 4.505 4.320 -0.000 0.000 0.216 429 A C 2.359 179.963 177.584 0.034 0.000 1.176 429 A CA 0.913 52.981 52.037 0.051 0.000 0.628 429 A CB -0.263 18.767 19.000 0.050 0.000 0.816 429 A HN 0.345 nan 8.150 nan 0.000 0.444 430 I N -0.048 120.533 120.570 0.018 0.000 2.163 430 I HA -0.305 3.865 4.170 -0.000 0.000 0.243 430 I C 2.983 179.116 176.117 0.028 0.000 1.085 430 I CA 1.208 62.517 61.300 0.015 0.000 1.347 430 I CB -0.296 37.706 38.000 0.003 0.000 1.044 430 I HN 0.349 nan 8.210 nan 0.000 0.408 431 A N 0.595 123.447 122.820 0.052 0.000 1.902 431 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 431 A C 2.541 180.186 177.584 0.101 0.000 1.181 431 A CA 1.861 53.974 52.037 0.126 0.000 0.623 431 A CB -0.950 18.133 19.000 0.137 0.000 0.818 431 A HN 0.436 nan 8.150 nan 0.000 0.443 432 A N -0.379 122.510 122.820 0.115 0.000 1.908 432 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 432 A C 2.090 179.772 177.584 0.163 0.000 1.181 432 A CA 2.437 54.587 52.037 0.188 0.000 0.627 432 A CB -0.377 18.720 19.000 0.161 0.000 0.818 432 A HN 0.419 nan 8.150 nan 0.000 0.445 433 K N -0.176 120.264 120.400 0.068 0.000 2.167 433 K HA 0.140 4.460 4.320 -0.000 0.000 0.203 433 K C 1.702 178.287 176.600 -0.026 0.000 1.052 433 K CA 0.917 57.224 56.287 0.033 0.000 0.956 433 K CB -0.497 32.008 32.500 0.007 0.000 0.735 433 K HN 0.474 nan 8.250 nan 0.000 0.451 434 L N 0.621 121.783 121.223 -0.102 0.000 2.056 434 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 434 L C 1.831 178.569 176.870 -0.220 0.000 1.078 434 L CA 1.146 55.830 54.840 -0.260 0.000 0.749 434 L CB -0.406 41.293 42.059 -0.599 0.000 0.901 434 L HN 0.254 nan 8.230 nan 0.000 0.433 435 N N -0.866 117.727 118.700 -0.177 0.000 2.300 435 N HA -0.091 4.649 4.740 -0.000 0.000 0.179 435 N C -0.119 175.070 175.510 -0.536 0.000 1.016 435 N CA 1.029 53.862 53.050 -0.362 0.000 0.876 435 N CB 0.236 38.384 38.487 -0.564 0.000 0.979 435 N HN 0.287 nan 8.380 nan 0.000 0.432 436 Y N 0.051 120.362 120.300 0.018 0.000 2.511 436 Y HA 0.334 4.884 4.550 -0.000 0.000 0.356 436 Y C -1.772 174.122 175.900 -0.009 0.000 1.002 436 Y CA -2.012 56.095 58.100 0.011 0.000 1.127 436 Y CB 1.227 39.697 38.460 0.016 0.000 1.137 436 Y HN -0.019 nan 8.280 nan 0.000 0.652 437 P HA -0.147 nan 4.420 nan 0.000 0.223 437 P C 0.702 178.026 177.300 0.040 0.000 1.144 437 P CA 1.463 64.585 63.100 0.038 0.000 0.783 437 P CB 0.610 32.313 31.700 0.005 0.000 0.771 438 E N -0.756 119.483 120.200 0.064 0.000 2.472 438 E HA 0.100 4.450 4.350 -0.000 0.000 0.196 438 E C 0.716 177.331 176.600 0.024 0.000 1.033 438 E CA 0.120 56.542 56.400 0.038 0.000 0.886 438 E CB 0.133 29.859 29.700 0.044 0.000 0.944 438 E HN 0.379 nan 8.360 nan 0.000 0.492 439 R N 1.069 121.594 120.500 0.041 0.000 2.428 439 R HA 0.237 4.577 4.340 -0.000 0.000 0.294 439 R C 0.397 176.670 176.300 -0.045 0.000 1.000 439 R CA -0.400 55.696 56.100 -0.007 0.000 0.960 439 R CB 1.214 31.493 30.300 -0.036 0.000 1.076 439 R HN 0.011 nan 8.270 nan 0.000 0.475 440 Q N 1.865 121.615 119.800 -0.083 0.000 2.300 440 Q HA 0.115 4.455 4.340 -0.000 0.000 0.280 440 Q C -1.076 174.800 176.000 -0.207 0.000 1.033 440 Q CA 0.237 55.939 55.803 -0.167 0.000 0.903 440 Q CB 0.779 29.423 28.738 -0.155 0.000 1.195 440 Q HN 0.316 nan 8.270 nan 0.000 0.386 441 V N 5.546 125.285 119.914 -0.292 0.000 2.531 441 V HA 0.419 4.539 4.120 -0.000 0.000 0.301 441 V C -0.923 174.965 176.094 -0.343 0.000 1.034 441 V CA -0.629 61.543 62.300 -0.213 0.000 0.865 441 V CB 1.188 32.964 31.823 -0.078 0.000 0.995 441 V HN 0.619 nan 8.190 nan 0.000 0.424 442 F N 2.842 122.708 119.950 -0.139 0.000 2.450 442 F HA 0.543 5.070 4.527 0.000 0.000 0.332 442 F C 0.385 176.224 175.800 0.065 0.000 1.093 442 F CA -0.542 57.447 58.000 -0.017 0.000 1.003 442 F CB 1.643 40.668 39.000 0.042 0.000 1.151 442 F HN 0.523 nan 8.300 nan 0.000 0.474 443 N N 3.581 122.446 118.700 0.275 0.000 2.476 443 N HA 0.409 5.149 4.740 -0.000 0.000 0.257 443 N C -1.841 173.833 175.510 0.274 0.000 0.970 443 N CA -0.335 52.846 53.050 0.219 0.000 0.938 443 N CB 0.610 39.168 38.487 0.118 0.000 1.144 443 N HN 0.575 nan 8.380 nan 0.000 0.500 444 L N 2.486 123.885 121.223 0.293 0.000 2.280 444 L HA 0.832 5.172 4.340 -0.000 0.000 0.287 444 L C -0.279 176.719 176.870 0.213 0.000 1.023 444 L CA -0.900 54.141 54.840 0.334 0.000 0.819 444 L CB 1.205 43.450 42.059 0.310 0.000 1.212 444 L HN 0.641 nan 8.230 nan 0.000 0.420 445 A N 2.314 125.283 122.820 0.248 0.000 2.486 445 A HA 0.791 5.111 4.320 -0.000 0.000 0.300 445 A C -0.090 177.595 177.584 0.169 0.000 1.048 445 A CA -0.361 51.748 52.037 0.119 0.000 0.696 445 A CB 1.590 20.611 19.000 0.036 0.000 1.278 445 A HN 0.692 nan 8.150 nan 0.000 0.405 446 G N 0.313 109.163 108.800 0.083 0.000 2.606 446 G HA2 0.390 4.350 3.960 -0.000 0.000 0.252 446 G HA3 0.390 4.350 3.960 -0.000 0.000 0.252 446 G C 0.444 175.391 174.900 0.078 0.000 1.206 446 G CA 0.391 45.562 45.100 0.118 0.000 0.861 446 G HN 0.832 nan 8.290 nan 0.000 0.561 447 D N -0.057 120.417 120.400 0.123 0.000 2.178 447 D HA -0.086 4.554 4.640 -0.000 0.000 0.202 447 D C 2.181 178.623 176.300 0.237 0.000 0.974 447 D CA 1.320 55.404 54.000 0.141 0.000 0.841 447 D CB -0.888 40.086 40.800 0.290 0.000 0.953 447 D HN 0.468 nan 8.370 nan 0.000 0.478 448 G N 0.441 109.420 108.800 0.298 0.000 2.418 448 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.217 448 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.217 448 G C 1.704 176.743 174.900 0.232 0.000 1.158 448 G CA 0.917 46.224 45.100 0.345 0.000 0.771 448 G HN 0.493 nan 8.290 nan 0.000 0.545 449 G N 0.928 109.822 108.800 0.157 0.000 2.394 449 G HA2 0.137 4.097 3.960 -0.000 0.000 0.214 449 G HA3 0.137 4.097 3.960 -0.000 0.000 0.214 449 G C 2.073 177.001 174.900 0.047 0.000 1.176 449 G CA 1.369 46.512 45.100 0.072 0.000 0.786 449 G HN 0.602 nan 8.290 nan 0.000 0.533 450 A N 1.439 124.266 122.820 0.011 0.000 1.940 450 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 450 A C 2.720 180.406 177.584 0.171 0.000 1.176 450 A CA 2.758 54.771 52.037 -0.040 0.000 0.631 450 A CB -0.742 18.012 19.000 -0.409 0.000 0.814 450 A HN 0.769 nan 8.150 nan 0.000 0.446 451 S N -0.767 115.113 115.700 0.300 0.000 2.428 451 S HA -0.086 4.384 4.470 -0.000 0.000 0.230 451 S C 1.954 176.618 174.600 0.107 0.000 1.014 451 S CA 1.377 59.763 58.200 0.311 0.000 0.957 451 S CB -0.577 62.779 63.200 0.260 0.000 0.784 451 S HN 0.514 nan 8.310 nan 0.000 0.499 452 M N 1.958 121.593 119.600 0.057 0.000 2.159 452 M HA -0.061 4.419 4.480 -0.000 0.000 0.263 452 M C 1.761 178.018 176.300 -0.073 0.000 1.063 452 M CA 1.799 57.086 55.300 -0.021 0.000 1.110 452 M CB -0.679 31.898 32.600 -0.039 0.000 1.374 452 M HN 0.662 nan 8.290 nan 0.000 0.411 453 T N -3.125 111.409 114.554 -0.033 0.000 3.182 453 T HA 0.274 4.624 4.350 -0.000 0.000 0.277 453 T C 1.206 175.912 174.700 0.010 0.000 1.013 453 T CA -0.343 61.721 62.100 -0.060 0.000 0.900 453 T CB -0.401 68.424 68.868 -0.073 0.000 1.098 453 T HN 0.430 nan 8.240 nan 0.000 0.543 454 M N 1.318 120.961 119.600 0.072 0.000 2.144 454 M HA -0.212 4.268 4.480 -0.000 0.000 0.260 454 M C 2.325 178.663 176.300 0.063 0.000 1.067 454 M CA 1.948 57.328 55.300 0.133 0.000 1.095 454 M CB -0.885 31.830 32.600 0.192 0.000 1.365 454 M HN 0.237 nan 8.290 nan 0.000 0.406 455 Q N 0.859 120.677 119.800 0.030 0.000 2.234 455 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 455 Q C 0.644 176.659 176.000 0.026 0.000 0.980 455 Q CA 2.007 57.823 55.803 0.023 0.000 0.869 455 Q CB -1.068 27.691 28.738 0.035 0.000 0.912 455 Q HN 0.685 nan 8.270 nan 0.000 0.436 456 D N 0.406 120.822 120.400 0.026 0.000 2.328 456 D HA 0.142 4.782 4.640 -0.000 0.000 0.226 456 D C 1.700 178.016 176.300 0.028 0.000 1.066 456 D CA -0.084 53.932 54.000 0.027 0.000 0.861 456 D CB 0.266 41.074 40.800 0.013 0.000 0.912 456 D HN 0.274 nan 8.370 nan 0.000 0.521 457 L N 0.895 122.136 121.223 0.030 0.000 2.127 457 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 457 L C 2.605 179.480 176.870 0.008 0.000 1.089 457 L CA 0.908 55.764 54.840 0.026 0.000 0.757 457 L CB -0.312 41.772 42.059 0.042 0.000 0.899 457 L HN 0.009 nan 8.230 nan 0.000 0.434 458 A N -0.596 122.225 122.820 0.001 0.000 2.019 458 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 458 A C 2.316 179.897 177.584 -0.005 0.000 1.164 458 A CA 2.159 54.188 52.037 -0.014 0.000 0.644 458 A CB -0.692 18.300 19.000 -0.013 0.000 0.805 458 A HN 0.405 nan 8.150 nan 0.000 0.449 459 T N -0.144 114.434 114.554 0.040 0.000 2.857 459 T HA -0.126 4.224 4.350 -0.000 0.000 0.266 459 T C 2.002 176.783 174.700 0.135 0.000 1.048 459 T CA 1.478 63.651 62.100 0.122 0.000 1.139 459 T CB -0.206 68.744 68.868 0.137 0.000 0.874 459 T HN 0.633 nan 8.240 nan 0.000 0.455 460 Q N 0.405 120.242 119.800 0.061 0.000 2.096 460 Q HA -0.085 4.255 4.340 -0.000 0.000 0.204 460 Q C 2.542 178.528 176.000 -0.024 0.000 0.982 460 Q CA 1.211 57.035 55.803 0.036 0.000 0.850 460 Q CB -0.413 28.336 28.738 0.018 0.000 0.901 460 Q HN 0.354 nan 8.270 nan 0.000 0.422 461 V N 0.709 120.583 119.914 -0.067 0.000 2.270 461 V HA -0.293 3.827 4.120 -0.000 0.000 0.245 461 V C 2.288 178.167 176.094 -0.357 0.000 1.043 461 V CA 2.099 64.308 62.300 -0.152 0.000 1.014 461 V CB -0.656 31.117 31.823 -0.084 0.000 0.645 461 V HN 0.389 nan 8.190 nan 0.000 0.447 462 Q N -0.827 118.788 119.800 -0.308 0.000 2.135 462 Q HA -0.221 4.118 4.340 -0.000 0.000 0.204 462 Q C 1.700 177.284 176.000 -0.694 0.000 0.981 462 Q CA 2.134 57.633 55.803 -0.507 0.000 0.856 462 Q CB -0.072 28.358 28.738 -0.514 0.000 0.902 462 Q HN 0.769 nan 8.270 nan 0.000 0.425 463 Y N -1.104 119.079 120.300 -0.195 0.000 2.485 463 Y HA 0.172 4.722 4.550 -0.000 0.000 0.260 463 Y C -0.534 175.371 175.900 0.009 0.000 1.173 463 Y CA 0.153 58.212 58.100 -0.068 0.000 1.252 463 Y CB 0.194 38.622 38.460 -0.052 0.000 1.123 463 Y HN 0.226 nan 8.280 nan 0.000 0.524 464 H N -0.794 118.310 119.070 0.056 0.000 2.756 464 H HA -0.160 4.396 4.556 -0.000 0.000 0.315 464 H C -0.839 174.513 175.328 0.041 0.000 1.210 464 H CA 0.319 56.388 56.048 0.036 0.000 1.150 464 H CB -1.976 27.799 29.762 0.021 0.000 1.463 464 H HN 0.243 nan 8.280 nan 0.000 0.427 465 L N 1.182 122.462 121.223 0.095 0.000 2.270 465 L HA 0.287 4.627 4.340 -0.000 0.000 0.286 465 L C -1.810 175.075 176.870 0.025 0.000 1.059 465 L CA -1.915 52.959 54.840 0.058 0.000 0.839 465 L CB 0.860 42.948 42.059 0.047 0.000 1.221 465 L HN -0.049 nan 8.230 nan 0.000 0.431 466 P HA 0.033 nan 4.420 nan 0.000 0.232 466 P C -0.012 177.244 177.300 -0.074 0.000 1.738 466 P CA 0.043 63.130 63.100 -0.022 0.000 0.948 466 P CB -0.136 31.546 31.700 -0.030 0.000 1.943 467 V N 1.933 121.811 119.914 -0.060 0.000 2.715 467 V HA 0.044 4.164 4.120 -0.000 0.000 0.299 467 V C 1.028 177.053 176.094 -0.115 0.000 1.054 467 V CA -0.032 62.215 62.300 -0.089 0.000 1.077 467 V CB 0.547 32.351 31.823 -0.032 0.000 0.972 467 V HN 0.222 nan 8.190 nan 0.000 0.484 468 I N 5.356 125.799 120.570 -0.211 0.000 2.281 468 I HA 0.246 4.416 4.170 -0.000 0.000 0.293 468 I C 0.281 176.403 176.117 0.008 0.000 1.085 468 I CA -0.036 61.162 61.300 -0.170 0.000 1.257 468 I CB 0.005 37.758 38.000 -0.412 0.000 1.430 468 I HN 0.598 nan 8.210 nan 0.000 0.489 469 N N 6.580 125.294 118.700 0.023 0.000 2.434 469 N HA 0.309 5.049 4.740 -0.000 0.000 0.272 469 N C -0.755 174.786 175.510 0.052 0.000 1.040 469 N CA -0.260 52.824 53.050 0.057 0.000 0.956 469 N CB 2.547 41.046 38.487 0.021 0.000 1.108 469 N HN 0.204 nan 8.380 nan 0.000 0.481 470 V N 2.754 122.732 119.914 0.106 0.000 2.376 470 V HA 0.276 4.396 4.120 -0.000 0.000 0.287 470 V C 0.178 176.258 176.094 -0.024 0.000 1.015 470 V CA -0.839 61.473 62.300 0.021 0.000 0.834 470 V CB 1.656 33.551 31.823 0.121 0.000 1.001 470 V HN 0.282 nan 8.190 nan 0.000 0.428 471 V N 5.066 124.883 119.914 -0.161 0.000 2.427 471 V HA 0.473 4.593 4.120 -0.000 0.000 0.286 471 V C -0.492 175.491 176.094 -0.185 0.000 1.034 471 V CA -0.399 61.801 62.300 -0.167 0.000 0.893 471 V CB 1.462 33.015 31.823 -0.450 0.000 0.982 471 V HN 0.676 nan 8.190 nan 0.000 0.452 472 F N 2.139 122.051 119.950 -0.064 0.000 2.303 472 F HA 0.343 4.870 4.527 -0.000 0.000 0.368 472 F C 0.974 176.765 175.800 -0.014 0.000 1.105 472 F CA -0.302 57.683 58.000 -0.025 0.000 1.153 472 F CB 0.987 39.975 39.000 -0.019 0.000 1.362 472 F HN 0.355 nan 8.300 nan 0.000 0.511 473 T N 3.212 117.821 114.554 0.090 0.000 2.794 473 T HA 0.101 4.451 4.350 -0.000 0.000 0.304 473 T C 0.950 175.684 174.700 0.057 0.000 0.973 473 T CA -0.434 61.726 62.100 0.101 0.000 0.972 473 T CB 0.013 68.953 68.868 0.119 0.000 0.952 473 T HN 0.535 nan 8.240 nan 0.000 0.509 474 N N 0.388 119.106 118.700 0.029 0.000 2.197 474 N HA 0.044 4.784 4.740 -0.000 0.000 0.201 474 N C 0.481 175.887 175.510 -0.173 0.000 1.148 474 N CA -0.406 52.611 53.050 -0.055 0.000 0.883 474 N CB -0.464 37.993 38.487 -0.050 0.000 1.012 474 N HN 0.548 nan 8.380 nan 0.000 0.507 475 C N 0.618 119.794 119.300 -0.206 0.000 4.454 475 C HA -0.149 4.311 4.460 -0.000 0.000 0.298 475 C C -0.406 173.859 174.990 -1.209 0.000 1.384 475 C CA 0.402 59.114 59.018 -0.509 0.000 2.002 475 C CB -2.906 24.671 27.740 -0.271 0.000 1.249 475 C HN 0.622 nan 8.230 nan 0.000 0.783 476 Q N -2.394 116.742 119.800 -1.107 0.000 2.462 476 Q HA 0.479 4.819 4.340 -0.000 0.000 0.285 476 Q C -1.097 174.634 176.000 -0.448 0.000 1.035 476 Q CA -0.740 54.519 55.803 -0.907 0.000 0.799 476 Q CB 1.352 29.848 28.738 -0.405 0.000 1.452 476 Q HN 0.336 nan 8.270 nan 0.000 0.404 477 Y N 0.890 121.230 120.300 0.066 0.000 2.632 477 Y HA 0.192 4.742 4.550 -0.000 0.000 0.336 477 Y C 1.345 177.291 175.900 0.078 0.000 1.237 477 Y CA -0.206 58.006 58.100 0.187 0.000 1.595 477 Y CB -0.036 38.564 38.460 0.234 0.000 1.508 477 Y HN 0.954 nan 8.280 nan 0.000 0.480 478 G N 2.258 111.153 108.800 0.158 0.000 2.446 478 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 478 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 478 G C 1.637 176.635 174.900 0.163 0.000 1.168 478 G CA 0.326 45.477 45.100 0.085 0.000 0.771 478 G HN 0.769 nan 8.290 nan 0.000 0.551 479 W N 0.862 122.189 121.300 0.044 0.000 2.304 479 W HA -0.192 4.468 4.660 0.000 0.000 0.315 479 W C 2.084 178.630 176.519 0.045 0.000 1.233 479 W CA 1.294 58.660 57.345 0.035 0.000 1.261 479 W CB -0.057 29.423 29.460 0.033 0.000 1.150 479 W HN 0.145 nan 8.180 nan 0.000 0.494 480 I N 0.723 121.437 120.570 0.240 0.000 2.406 480 I HA -0.214 3.956 4.170 -0.000 0.000 0.249 480 I C 2.259 178.425 176.117 0.082 0.000 1.122 480 I CA 1.454 62.837 61.300 0.138 0.000 1.431 480 I CB -1.687 36.424 38.000 0.184 0.000 1.087 480 I HN 0.017 nan 8.210 nan 0.000 0.424 481 K N 1.270 121.696 120.400 0.043 0.000 2.063 481 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 481 K C 1.609 178.204 176.600 -0.008 0.000 1.048 481 K CA 1.913 58.139 56.287 -0.101 0.000 0.928 481 K CB 0.033 32.328 32.500 -0.342 0.000 0.713 481 K HN 0.177 nan 8.250 nan 0.000 0.442 482 D N 0.675 121.054 120.400 -0.035 0.000 2.144 482 D HA -0.128 4.512 4.640 -0.000 0.000 0.200 482 D C 1.741 178.028 176.300 -0.022 0.000 0.978 482 D CA 1.099 55.087 54.000 -0.021 0.000 0.833 482 D CB -0.071 40.670 40.800 -0.098 0.000 0.961 482 D HN 0.398 nan 8.370 nan 0.000 0.470 483 E N 0.564 120.716 120.200 -0.080 0.000 2.077 483 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 483 E C 2.172 178.793 176.600 0.036 0.000 0.989 483 E CA 0.816 57.178 56.400 -0.063 0.000 0.800 483 E CB -0.037 29.614 29.700 -0.083 0.000 0.746 483 E HN 0.370 nan 8.360 nan 0.000 0.452 484 Q N 0.420 120.291 119.800 0.119 0.000 2.124 484 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 484 Q C 2.193 178.295 176.000 0.170 0.000 0.977 484 Q CA 1.182 57.092 55.803 0.178 0.000 0.850 484 Q CB -0.091 28.837 28.738 0.317 0.000 0.901 484 Q HN 0.317 nan 8.270 nan 0.000 0.429 485 E N 0.787 121.168 120.200 0.302 0.000 2.085 485 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 485 E C 1.099 177.737 176.600 0.064 0.000 0.994 485 E CA 1.475 57.990 56.400 0.192 0.000 0.801 485 E CB 0.152 30.029 29.700 0.294 0.000 0.743 485 E HN 0.305 nan 8.360 nan 0.000 0.453 486 D N -0.706 119.725 120.400 0.051 0.000 2.149 486 D HA -0.107 4.533 4.640 -0.000 0.000 0.201 486 D C 2.016 178.317 176.300 0.002 0.000 0.972 486 D CA 2.002 56.011 54.000 0.014 0.000 0.835 486 D CB -0.133 40.661 40.800 -0.011 0.000 0.966 486 D HN 0.401 nan 8.370 nan 0.000 0.476 487 T N -2.921 111.636 114.554 0.005 0.000 2.999 487 T HA 0.100 4.450 4.350 -0.000 0.000 0.247 487 T C 0.720 175.417 174.700 -0.006 0.000 1.012 487 T CA -0.414 61.685 62.100 -0.001 0.000 1.048 487 T CB 0.115 68.984 68.868 0.002 0.000 1.020 487 T HN -0.205 nan 8.240 nan 0.000 0.478 488 N N 2.189 120.885 118.700 -0.007 0.000 2.499 488 N HA 0.337 5.077 4.740 -0.000 0.000 0.281 488 N C 0.932 176.411 175.510 -0.052 0.000 1.098 488 N CA -0.440 52.598 53.050 -0.019 0.000 0.979 488 N CB 1.225 39.710 38.487 -0.003 0.000 1.121 488 N HN 0.144 nan 8.380 nan 0.000 0.466 489 Q N 0.495 120.269 119.800 -0.043 0.000 2.212 489 Q HA 0.118 4.458 4.340 -0.000 0.000 0.199 489 Q C -0.090 175.866 176.000 -0.073 0.000 0.950 489 Q CA 1.032 56.803 55.803 -0.053 0.000 0.863 489 Q CB 0.053 28.770 28.738 -0.034 0.000 0.944 489 Q HN 0.551 nan 8.270 nan 0.000 0.465 490 N N 1.229 119.889 118.700 -0.067 0.000 2.538 490 N HA 0.104 4.843 4.740 -0.000 0.000 0.292 490 N C -0.383 175.056 175.510 -0.118 0.000 1.262 490 N CA -0.409 52.599 53.050 -0.070 0.000 0.976 490 N CB 0.417 38.884 38.487 -0.034 0.000 1.161 490 N HN -0.064 nan 8.380 nan 0.000 0.598 491 D N 0.096 120.436 120.400 -0.101 0.000 2.368 491 D HA 0.092 4.731 4.640 -0.000 0.000 0.240 491 D C 0.121 176.373 176.300 -0.080 0.000 1.169 491 D CA 0.198 54.112 54.000 -0.145 0.000 0.906 491 D CB 0.112 40.882 40.800 -0.050 0.000 1.187 491 D HN 0.177 nan 8.370 nan 0.000 0.435 492 F N 0.802 120.761 119.950 0.016 0.000 2.604 492 F HA 0.019 4.546 4.527 -0.000 0.000 0.390 492 F C 0.962 176.784 175.800 0.037 0.000 1.053 492 F CA 0.391 58.406 58.000 0.025 0.000 1.256 492 F CB -0.275 38.734 39.000 0.017 0.000 0.996 492 F HN 0.108 nan 8.300 nan 0.000 0.564 493 I N 2.009 122.736 120.570 0.262 0.000 2.571 493 I HA 0.504 4.674 4.170 -0.000 0.000 0.289 493 I C 0.444 176.674 176.117 0.187 0.000 1.115 493 I CA -0.129 61.277 61.300 0.177 0.000 1.045 493 I CB 1.550 39.623 38.000 0.122 0.000 1.238 493 I HN 0.687 nan 8.210 nan 0.000 0.424 494 G N 4.387 113.300 108.800 0.188 0.000 2.162 494 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 494 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 494 G C 0.448 175.566 174.900 0.364 0.000 0.976 494 G CA 0.667 45.915 45.100 0.248 0.000 0.655 494 G HN 1.268 nan 8.290 nan 0.000 0.533 495 V N -3.477 116.582 119.914 0.241 0.000 3.645 495 V HA 0.534 4.654 4.120 -0.000 0.000 0.275 495 V C 0.467 176.470 176.094 -0.152 0.000 1.356 495 V CA 0.854 63.261 62.300 0.178 0.000 1.051 495 V CB 0.359 32.238 31.823 0.094 0.000 0.828 495 V HN 0.352 nan 8.190 nan 0.000 0.441 496 E N 1.465 121.575 120.200 -0.149 0.000 2.187 496 E HA 0.689 5.039 4.350 -0.000 0.000 0.268 496 E C -1.197 175.300 176.600 -0.172 0.000 0.896 496 E CA -0.613 55.582 56.400 -0.342 0.000 0.766 496 E CB 2.175 31.739 29.700 -0.227 0.000 1.142 496 E HN 0.518 nan 8.360 nan 0.000 0.408 497 F N -0.705 119.175 119.950 -0.117 0.000 2.824 497 F HA 0.523 5.050 4.527 -0.000 0.000 0.330 497 F C -0.502 175.257 175.800 -0.069 0.000 1.175 497 F CA -1.691 56.254 58.000 -0.092 0.000 0.974 497 F CB 0.411 39.328 39.000 -0.139 0.000 1.430 497 F HN 0.090 nan 8.300 nan 0.000 0.507 498 N N 0.750 119.629 118.700 0.299 0.000 2.518 498 N HA 0.146 4.886 4.740 -0.000 0.000 0.266 498 N C -1.175 174.465 175.510 0.217 0.000 1.196 498 N CA -0.005 53.146 53.050 0.169 0.000 0.947 498 N CB 0.334 38.880 38.487 0.098 0.000 1.098 498 N HN 0.791 nan 8.380 nan 0.000 0.450 499 D N 1.003 121.473 120.400 0.117 0.000 2.525 499 D HA 0.052 4.692 4.640 -0.000 0.000 0.235 499 D C -0.563 175.778 176.300 0.070 0.000 1.137 499 D CA 0.448 54.510 54.000 0.104 0.000 0.868 499 D CB 0.354 41.186 40.800 0.052 0.000 1.180 499 D HN 0.312 nan 8.370 nan 0.000 0.465 500 I N 2.919 123.532 120.570 0.072 0.000 2.406 500 I HA 0.149 4.319 4.170 -0.000 0.000 0.290 500 I C -0.318 175.770 176.117 -0.050 0.000 0.999 500 I CA -0.881 60.371 61.300 -0.080 0.000 1.124 500 I CB 1.766 39.608 38.000 -0.264 0.000 1.289 500 I HN 0.388 nan 8.210 nan 0.000 0.441 501 D N 5.952 126.298 120.400 -0.090 0.000 2.393 501 D HA 0.117 4.757 4.640 -0.000 0.000 0.232 501 D C 0.587 176.841 176.300 -0.076 0.000 1.192 501 D CA 0.075 54.061 54.000 -0.023 0.000 0.882 501 D CB 0.522 41.308 40.800 -0.024 0.000 1.038 501 D HN 0.310 nan 8.370 nan 0.000 0.499 502 F N 1.431 121.379 119.950 -0.005 0.000 2.502 502 F HA -0.136 4.391 4.527 -0.000 0.000 0.298 502 F C 2.664 178.446 175.800 -0.029 0.000 1.111 502 F CA 0.666 58.658 58.000 -0.012 0.000 1.445 502 F CB 0.103 39.104 39.000 0.001 0.000 1.081 502 F HN 0.383 nan 8.300 nan 0.000 0.558 503 S N -0.276 115.492 115.700 0.113 0.000 2.428 503 S HA -0.148 4.322 4.470 -0.000 0.000 0.230 503 S C 1.860 176.444 174.600 -0.026 0.000 1.014 503 S CA 0.776 58.992 58.200 0.027 0.000 0.957 503 S CB -0.308 62.895 63.200 0.005 0.000 0.784 503 S HN 0.375 nan 8.310 nan 0.000 0.499 504 K N 0.513 120.889 120.400 -0.040 0.000 2.076 504 K HA 0.141 4.461 4.320 -0.000 0.000 0.204 504 K C 1.948 178.491 176.600 -0.096 0.000 1.051 504 K CA 0.926 57.171 56.287 -0.070 0.000 0.949 504 K CB -0.266 32.190 32.500 -0.073 0.000 0.726 504 K HN 0.286 nan 8.250 nan 0.000 0.443 505 I N 1.770 122.266 120.570 -0.123 0.000 2.151 505 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 505 I C 2.527 178.596 176.117 -0.079 0.000 1.080 505 I CA 1.525 62.744 61.300 -0.136 0.000 1.339 505 I CB -1.541 36.323 38.000 -0.226 0.000 1.039 505 I HN 0.103 nan 8.210 nan 0.000 0.409 506 A N 0.451 123.256 122.820 -0.024 0.000 1.883 506 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 506 A C 2.159 179.692 177.584 -0.085 0.000 1.186 506 A CA 2.188 54.207 52.037 -0.029 0.000 0.624 506 A CB -0.854 18.147 19.000 0.000 0.000 0.822 506 A HN 0.432 nan 8.150 nan 0.000 0.444 507 D N -0.374 119.973 120.400 -0.090 0.000 2.116 507 D HA -0.109 4.531 4.640 -0.000 0.000 0.193 507 D C 2.015 178.206 176.300 -0.183 0.000 0.998 507 D CA 1.819 55.762 54.000 -0.096 0.000 0.836 507 D CB -0.651 40.104 40.800 -0.075 0.000 0.951 507 D HN 0.320 nan 8.370 nan 0.000 0.449 508 G N -0.075 108.605 108.800 -0.200 0.000 2.448 508 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.219 508 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.219 508 G C 1.578 176.181 174.900 -0.494 0.000 1.127 508 G CA 1.318 46.245 45.100 -0.288 0.000 0.766 508 G HN 0.414 nan 8.290 nan 0.000 0.552 509 V N -3.490 116.206 119.914 -0.363 0.000 3.649 509 V HA 0.240 4.360 4.120 -0.000 0.000 0.275 509 V C 0.878 176.788 176.094 -0.307 0.000 1.281 509 V CA 0.274 62.380 62.300 -0.324 0.000 1.143 509 V CB -1.079 30.668 31.823 -0.127 0.000 0.892 509 V HN 0.531 nan 8.190 nan 0.000 0.441 510 H N -1.248 117.798 119.070 -0.040 0.000 2.933 510 H HA -0.138 4.418 4.556 -0.000 0.000 0.301 510 H C -0.106 175.194 175.328 -0.046 0.000 1.280 510 H CA 1.183 57.205 56.048 -0.044 0.000 1.155 510 H CB -1.652 28.084 29.762 -0.044 0.000 1.379 510 H HN 0.691 nan 8.280 nan 0.000 0.419 511 M N 0.833 120.430 119.600 -0.005 0.000 2.383 511 M HA 0.284 4.764 4.480 -0.000 0.000 0.325 511 M C 0.056 176.327 176.300 -0.048 0.000 1.092 511 M CA -0.546 54.744 55.300 -0.017 0.000 0.961 511 M CB 1.534 34.121 32.600 -0.023 0.000 1.672 511 M HN 0.162 nan 8.290 nan 0.000 0.438 512 Q N 2.291 122.056 119.800 -0.060 0.000 2.364 512 Q HA 0.555 4.895 4.340 -0.000 0.000 0.267 512 Q C -0.909 174.974 176.000 -0.194 0.000 0.999 512 Q CA -0.011 55.706 55.803 -0.143 0.000 0.886 512 Q CB 1.129 29.793 28.738 -0.124 0.000 1.243 512 Q HN 0.740 nan 8.270 nan 0.000 0.415 513 A N 2.225 124.821 122.820 -0.372 0.000 2.609 513 A HA 0.816 5.136 4.320 -0.000 0.000 0.291 513 A C -1.760 175.435 177.584 -0.649 0.000 1.096 513 A CA -0.638 51.206 52.037 -0.322 0.000 0.684 513 A CB 1.194 20.120 19.000 -0.122 0.000 1.282 513 A HN 0.567 nan 8.150 nan 0.000 0.412 514 F N -0.494 119.424 119.950 -0.053 0.000 2.599 514 F HA 0.808 5.335 4.527 -0.000 0.000 0.311 514 F C 0.085 175.860 175.800 -0.041 0.000 1.076 514 F CA -0.482 57.486 58.000 -0.052 0.000 0.937 514 F CB 2.440 41.389 39.000 -0.084 0.000 1.282 514 F HN 0.657 nan 8.300 nan 0.000 0.460 515 R N 1.595 122.195 120.500 0.167 0.000 2.513 515 R HA 0.840 5.180 4.340 -0.000 0.000 0.301 515 R C -2.009 174.343 176.300 0.087 0.000 0.968 515 R CA -0.671 55.487 56.100 0.096 0.000 0.872 515 R CB 1.717 32.056 30.300 0.065 0.000 1.177 515 R HN 0.623 nan 8.270 nan 0.000 0.444 516 V N 1.695 121.641 119.914 0.054 0.000 2.823 516 V HA 0.606 4.726 4.120 -0.000 0.000 0.312 516 V C -0.361 175.745 176.094 0.019 0.000 1.072 516 V CA -0.361 61.962 62.300 0.039 0.000 0.937 516 V CB 2.070 33.918 31.823 0.041 0.000 1.013 516 V HN 1.067 nan 8.190 nan 0.000 0.430 517 N N 0.626 119.335 118.700 0.014 0.000 2.082 517 N HA 0.322 5.062 4.740 -0.000 0.000 0.228 517 N C -0.275 175.232 175.510 -0.005 0.000 1.341 517 N CA -0.809 52.242 53.050 0.002 0.000 0.873 517 N CB 0.854 39.343 38.487 0.004 0.000 1.137 517 N HN 0.635 nan 8.380 nan 0.000 0.505 518 K N 0.396 120.795 120.400 -0.002 0.000 2.371 518 K HA 0.434 4.754 4.320 -0.000 0.000 0.251 518 K C 0.396 176.989 176.600 -0.011 0.000 0.934 518 K CA -0.703 55.580 56.287 -0.007 0.000 0.798 518 K CB 2.424 34.922 32.500 -0.003 0.000 1.204 518 K HN -0.069 nan 8.250 nan 0.000 0.427 519 I N 2.079 122.636 120.570 -0.021 0.000 2.264 519 I HA -0.313 3.857 4.170 -0.000 0.000 0.248 519 I C 2.136 178.236 176.117 -0.028 0.000 1.111 519 I CA 1.402 62.683 61.300 -0.032 0.000 1.382 519 I CB -0.067 37.911 38.000 -0.037 0.000 1.060 519 I HN 0.709 nan 8.210 nan 0.000 0.418 520 E N 1.107 121.296 120.200 -0.019 0.000 2.418 520 E HA -0.235 4.115 4.350 -0.000 0.000 0.197 520 E C 1.635 178.230 176.600 -0.009 0.000 1.026 520 E CA 0.867 57.257 56.400 -0.016 0.000 0.862 520 E CB -0.387 29.306 29.700 -0.012 0.000 0.799 520 E HN 0.637 nan 8.360 nan 0.000 0.518 521 Q N 0.507 120.306 119.800 -0.001 0.000 2.378 521 Q HA 0.111 4.451 4.340 -0.000 0.000 0.205 521 Q C 2.377 178.390 176.000 0.022 0.000 0.954 521 Q CA 0.349 56.157 55.803 0.008 0.000 0.901 521 Q CB -0.041 28.706 28.738 0.015 0.000 0.981 521 Q HN 0.277 nan 8.270 nan 0.000 0.483 522 L N 0.811 122.052 121.223 0.030 0.000 1.971 522 L HA -0.192 4.148 4.340 -0.000 0.000 0.215 522 L C -0.609 176.327 176.870 0.110 0.000 1.072 522 L CA 1.567 56.460 54.840 0.089 0.000 0.758 522 L CB -1.739 40.283 42.059 -0.062 0.000 0.889 522 L HN 0.165 nan 8.230 nan 0.000 0.433 523 P HA -0.188 nan 4.420 nan 0.000 0.215 523 P C 1.029 178.345 177.300 0.027 0.000 1.157 523 P CA 1.645 64.755 63.100 0.017 0.000 0.868 523 P CB 0.017 31.709 31.700 -0.012 0.000 0.788 524 D N -1.233 119.162 120.400 -0.007 0.000 2.183 524 D HA -0.102 4.538 4.640 -0.000 0.000 0.203 524 D C 1.785 177.998 176.300 -0.146 0.000 0.969 524 D CA 0.638 54.610 54.000 -0.047 0.000 0.842 524 D CB -0.425 40.353 40.800 -0.037 0.000 0.957 524 D HN -0.163 nan 8.370 nan 0.000 0.484 525 V N -0.130 119.660 119.914 -0.207 0.000 2.307 525 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 525 V C 1.975 177.763 176.094 -0.511 0.000 1.045 525 V CA 1.320 63.279 62.300 -0.569 0.000 1.024 525 V CB -0.604 30.925 31.823 -0.489 0.000 0.651 525 V HN 0.206 nan 8.190 nan 0.000 0.449 526 F N 0.167 119.968 119.950 -0.247 0.000 2.171 526 F HA -0.119 4.408 4.527 -0.000 0.000 0.300 526 F C 2.531 178.275 175.800 -0.094 0.000 1.090 526 F CA 1.418 59.341 58.000 -0.128 0.000 1.293 526 F CB -0.398 38.569 39.000 -0.055 0.000 1.013 526 F HN 0.123 nan 8.300 nan 0.000 0.486 527 E N 0.280 120.512 120.200 0.054 0.000 2.085 527 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 527 E C 2.184 178.768 176.600 -0.027 0.000 0.994 527 E CA 1.224 57.634 56.400 0.017 0.000 0.801 527 E CB -0.550 29.155 29.700 0.009 0.000 0.743 527 E HN 0.541 nan 8.360 nan 0.000 0.453 528 Q N -0.055 119.683 119.800 -0.104 0.000 2.046 528 Q HA -0.077 4.263 4.340 -0.000 0.000 0.200 528 Q C 2.206 178.195 176.000 -0.019 0.000 0.975 528 Q CA 1.375 57.139 55.803 -0.065 0.000 0.836 528 Q CB -0.198 28.465 28.738 -0.124 0.000 0.896 528 Q HN 0.246 nan 8.270 nan 0.000 0.428 529 A N 1.721 124.463 122.820 -0.130 0.000 1.892 529 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 529 A C 2.016 179.580 177.584 -0.034 0.000 1.188 529 A CA 1.947 53.951 52.037 -0.056 0.000 0.631 529 A CB -0.609 18.257 19.000 -0.223 0.000 0.822 529 A HN 0.269 nan 8.150 nan 0.000 0.447 530 K N -0.546 119.844 120.400 -0.017 0.000 2.074 530 K HA -0.187 4.133 4.320 -0.000 0.000 0.209 530 K C 2.114 178.698 176.600 -0.027 0.000 1.048 530 K CA 1.574 57.857 56.287 -0.006 0.000 0.926 530 K CB -0.333 32.193 32.500 0.044 0.000 0.713 530 K HN 0.420 nan 8.250 nan 0.000 0.444 531 A N 0.874 123.690 122.820 -0.006 0.000 1.872 531 A HA -0.054 4.266 4.320 -0.000 0.000 0.214 531 A C 2.077 179.662 177.584 0.001 0.000 1.187 531 A CA 1.176 53.212 52.037 -0.002 0.000 0.614 531 A CB -0.465 18.551 19.000 0.027 0.000 0.826 531 A HN 0.321 nan 8.150 nan 0.000 0.442 532 I N 0.210 120.801 120.570 0.035 0.000 2.194 532 I HA -0.306 3.864 4.170 -0.000 0.000 0.246 532 I C 2.649 178.771 176.117 0.010 0.000 1.093 532 I CA 1.248 62.582 61.300 0.057 0.000 1.355 532 I CB -0.191 37.863 38.000 0.090 0.000 1.046 532 I HN 0.328 nan 8.210 nan 0.000 0.413 533 A N -0.200 122.596 122.820 -0.039 0.000 2.248 533 A HA -0.118 4.202 4.320 -0.000 0.000 0.210 533 A C 1.964 179.459 177.584 -0.147 0.000 1.174 533 A CA 0.708 52.692 52.037 -0.088 0.000 0.750 533 A CB -0.315 18.605 19.000 -0.133 0.000 0.780 533 A HN 0.389 nan 8.150 nan 0.000 0.478 534 Q N -0.807 118.860 119.800 -0.221 0.000 2.369 534 Q HA -0.087 4.253 4.340 -0.000 0.000 0.206 534 Q C 0.604 176.216 176.000 -0.646 0.000 0.963 534 Q CA 1.611 57.141 55.803 -0.456 0.000 0.894 534 Q CB -0.185 28.188 28.738 -0.608 0.000 0.965 534 Q HN 0.977 nan 8.270 nan 0.000 0.475 535 H N -1.925 117.145 119.070 -0.001 0.000 3.734 535 H HA 0.272 4.828 4.556 -0.000 0.000 0.253 535 H C -0.143 175.203 175.328 0.029 0.000 1.072 535 H CA -0.150 55.903 56.048 0.008 0.000 1.147 535 H CB 1.212 30.977 29.762 0.005 0.000 1.495 535 H HN -0.111 nan 8.280 nan 0.000 0.588 536 E N 0.856 121.122 120.200 0.110 0.000 2.390 536 E HA 0.259 4.609 4.350 -0.000 0.000 0.277 536 E C -2.814 173.807 176.600 0.036 0.000 0.939 536 E CA -2.283 54.173 56.400 0.093 0.000 0.769 536 E CB 2.509 32.270 29.700 0.102 0.000 1.251 536 E HN -0.059 nan 8.360 nan 0.000 0.450 537 P HA 0.208 nan 4.420 nan 0.000 0.272 537 P C -0.501 176.798 177.300 -0.002 0.000 1.230 537 P CA -0.301 62.798 63.100 -0.003 0.000 0.788 537 P CB 1.078 32.777 31.700 -0.002 0.000 0.949 538 V N 2.694 122.602 119.914 -0.010 0.000 3.087 538 V HA 0.598 4.717 4.120 -0.000 0.000 0.306 538 V C -1.463 174.635 176.094 0.006 0.000 1.187 538 V CA -1.084 61.220 62.300 0.007 0.000 0.999 538 V CB 2.230 34.080 31.823 0.044 0.000 1.049 538 V HN 0.478 nan 8.190 nan 0.000 0.431 539 L N 5.727 126.961 121.223 0.019 0.000 2.385 539 L HA 0.725 5.065 4.340 -0.000 0.000 0.273 539 L C -1.333 175.564 176.870 0.045 0.000 0.990 539 L CA -0.408 54.443 54.840 0.018 0.000 0.821 539 L CB 1.802 43.878 42.059 0.029 0.000 1.279 539 L HN 0.689 nan 8.230 nan 0.000 0.412 540 I N 3.905 124.461 120.570 -0.023 0.000 2.355 540 I HA 0.277 4.447 4.170 -0.000 0.000 0.288 540 I C -0.901 175.179 176.117 -0.062 0.000 0.999 540 I CA -0.442 60.826 61.300 -0.053 0.000 1.163 540 I CB 1.594 39.404 38.000 -0.317 0.000 1.316 540 I HN 0.523 nan 8.210 nan 0.000 0.454 541 D N 6.548 126.949 120.400 0.001 0.000 2.380 541 D HA 0.373 5.013 4.640 -0.000 0.000 0.230 541 D C -0.244 176.037 176.300 -0.032 0.000 1.154 541 D CA -0.168 53.833 54.000 0.001 0.000 0.859 541 D CB 1.246 42.110 40.800 0.106 0.000 1.045 541 D HN 0.562 nan 8.370 nan 0.000 0.495 542 A N 4.381 127.127 122.820 -0.124 0.000 2.391 542 A HA 0.380 4.700 4.320 -0.000 0.000 0.316 542 A C -0.014 177.526 177.584 -0.073 0.000 1.381 542 A CA -0.695 51.264 52.037 -0.129 0.000 0.998 542 A CB 0.368 19.196 19.000 -0.285 0.000 1.147 542 A HN 0.414 nan 8.150 nan 0.000 0.545 543 V N 5.510 125.411 119.914 -0.021 0.000 2.403 543 V HA 0.146 4.266 4.120 -0.000 0.000 0.265 543 V C 0.475 176.559 176.094 -0.017 0.000 1.034 543 V CA 0.515 62.814 62.300 -0.002 0.000 1.036 543 V CB -0.916 30.913 31.823 0.009 0.000 1.032 543 V HN 0.722 nan 8.190 nan 0.000 0.478 544 I N 2.328 122.891 120.570 -0.011 0.000 2.863 544 I HA 0.771 4.941 4.170 -0.000 0.000 0.311 544 I C 0.708 176.802 176.117 -0.038 0.000 1.026 544 I CA -0.643 60.642 61.300 -0.025 0.000 1.077 544 I CB 1.976 39.977 38.000 0.001 0.000 1.262 544 I HN 0.541 nan 8.210 nan 0.000 0.461 545 T N 0.013 114.533 114.554 -0.056 0.000 2.813 545 T HA 0.308 4.658 4.350 -0.000 0.000 0.297 545 T C 0.926 175.589 174.700 -0.062 0.000 1.036 545 T CA -0.144 61.923 62.100 -0.056 0.000 1.044 545 T CB 1.008 69.846 68.868 -0.051 0.000 0.993 545 T HN 0.945 nan 8.240 nan 0.000 0.535 546 G N 0.367 109.130 108.800 -0.062 0.000 3.383 546 G HA2 0.177 4.137 3.960 -0.000 0.000 0.251 546 G HA3 0.177 4.137 3.960 -0.000 0.000 0.251 546 G C -0.044 174.829 174.900 -0.045 0.000 1.203 546 G CA -0.520 44.537 45.100 -0.071 0.000 0.852 546 G HN 0.768 nan 8.290 nan 0.000 0.531 547 D N 0.784 121.168 120.400 -0.026 0.000 2.493 547 D HA 0.019 4.659 4.640 -0.000 0.000 0.240 547 D C 0.663 177.003 176.300 0.067 0.000 1.142 547 D CA 0.319 54.330 54.000 0.018 0.000 0.872 547 D CB 1.251 42.079 40.800 0.047 0.000 1.173 547 D HN 0.199 nan 8.370 nan 0.000 0.467 548 R N 3.559 124.129 120.500 0.115 0.000 2.347 548 R HA 0.180 4.520 4.340 -0.000 0.000 0.304 548 R C -2.248 174.253 176.300 0.333 0.000 1.072 548 R CA -1.180 55.039 56.100 0.197 0.000 0.980 548 R CB 0.572 31.014 30.300 0.236 0.000 0.986 548 R HN 0.192 nan 8.270 nan 0.000 0.448 549 P HA -0.029 nan 4.420 nan 0.000 0.274 549 P C -0.346 177.003 177.300 0.081 0.000 1.231 549 P CA -0.339 62.941 63.100 0.300 0.000 0.790 549 P CB 0.595 32.465 31.700 0.282 0.000 0.951 550 L N 4.135 125.357 121.223 -0.002 0.000 2.667 550 L HA 0.022 4.362 4.340 -0.000 0.000 0.278 550 L C -1.911 174.767 176.870 -0.320 0.000 1.217 550 L CA -0.907 53.647 54.840 -0.478 0.000 0.935 550 L CB -0.337 41.653 42.059 -0.115 0.000 1.193 550 L HN 0.272 nan 8.230 nan 0.000 0.493 551 P HA 0.127 nan 4.420 nan 0.000 0.280 551 P C -0.014 177.230 177.300 -0.093 0.000 1.386 551 P CA -0.311 62.667 63.100 -0.203 0.000 0.899 551 P CB 1.420 33.014 31.700 -0.176 0.000 1.098 552 A N 4.352 127.118 122.820 -0.091 0.000 2.070 552 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 552 A C 1.725 179.219 177.584 -0.149 0.000 1.159 552 A CA 1.213 53.168 52.037 -0.137 0.000 0.656 552 A CB -0.646 18.232 19.000 -0.205 0.000 0.800 552 A HN 0.538 nan 8.150 nan 0.000 0.453 553 E N 0.138 120.260 120.200 -0.131 0.000 2.489 553 E HA 0.000 4.350 4.350 -0.000 0.000 0.193 553 E C 0.079 176.614 176.600 -0.109 0.000 1.057 553 E CA 0.444 56.766 56.400 -0.130 0.000 0.866 553 E CB -0.068 29.547 29.700 -0.141 0.000 0.916 553 E HN 0.504 nan 8.360 nan 0.000 0.500 554 K N 1.304 121.653 120.400 -0.085 0.000 3.271 554 K HA 0.337 4.657 4.320 -0.000 0.000 0.192 554 K C -0.474 176.065 176.600 -0.102 0.000 1.108 554 K CA -0.281 55.971 56.287 -0.059 0.000 0.902 554 K CB 0.774 33.278 32.500 0.006 0.000 0.889 554 K HN 0.024 nan 8.250 nan 0.000 0.520 555 L N 1.842 122.918 121.223 -0.244 0.000 2.410 555 L HA 0.218 4.558 4.340 -0.000 0.000 0.273 555 L C 0.494 176.911 176.870 -0.755 0.000 1.152 555 L CA -0.082 54.416 54.840 -0.570 0.000 0.855 555 L CB 0.264 42.100 42.059 -0.373 0.000 1.129 555 L HN 0.028 nan 8.230 nan 0.000 0.463 556 R N 5.929 125.561 120.500 -1.446 0.000 2.494 556 R HA 0.383 4.723 4.340 -0.000 0.000 0.284 556 R C -0.104 175.813 176.300 -0.638 0.000 1.525 556 R CA -0.101 55.525 56.100 -0.790 0.000 1.460 556 R CB 0.768 30.791 30.300 -0.463 0.000 1.134 556 R HN 0.726 nan 8.270 nan 0.000 0.592 557 L N -0.917 120.067 121.223 -0.399 0.000 3.316 557 L HA 0.242 4.582 4.340 -0.000 0.000 0.300 557 L C 0.170 176.952 176.870 -0.147 0.000 1.128 557 L CA -0.051 54.659 54.840 -0.217 0.000 1.111 557 L CB 0.733 42.680 42.059 -0.186 0.000 1.687 557 L HN 0.189 nan 8.230 nan 0.000 0.594 558 D N 0.209 120.516 120.400 -0.156 0.000 2.359 558 D HA 0.165 4.805 4.640 -0.000 0.000 0.230 558 D C 0.913 177.156 176.300 -0.095 0.000 1.118 558 D CA 0.186 54.116 54.000 -0.117 0.000 0.844 558 D CB 1.926 42.658 40.800 -0.113 0.000 1.059 558 D HN -0.150 nan 8.370 nan 0.000 0.493 559 S N 2.468 118.121 115.700 -0.078 0.000 2.402 559 S HA -0.197 4.273 4.470 -0.000 0.000 0.233 559 S C 1.745 176.312 174.600 -0.055 0.000 1.030 559 S CA 1.384 59.547 58.200 -0.061 0.000 1.003 559 S CB 0.103 63.270 63.200 -0.055 0.000 0.813 559 S HN 0.679 nan 8.310 nan 0.000 0.477 560 A N 0.101 122.887 122.820 -0.056 0.000 2.119 560 A HA 0.216 4.536 4.320 -0.000 0.000 0.216 560 A C 1.894 179.448 177.584 -0.049 0.000 1.152 560 A CA 0.691 52.700 52.037 -0.047 0.000 0.708 560 A CB -0.217 18.758 19.000 -0.043 0.000 0.805 560 A HN 0.507 nan 8.150 nan 0.000 0.460 561 M N -1.577 117.986 119.600 -0.062 0.000 2.538 561 M HA 0.180 4.660 4.480 -0.000 0.000 0.259 561 M C -0.228 176.030 176.300 -0.070 0.000 1.217 561 M CA 0.360 55.620 55.300 -0.067 0.000 1.131 561 M CB 0.690 33.241 32.600 -0.081 0.000 1.382 561 M HN 0.162 nan 8.290 nan 0.000 0.520 562 S N 0.271 115.926 115.700 -0.074 0.000 2.599 562 S HA 0.464 4.934 4.470 -0.000 0.000 0.287 562 S C -0.228 174.341 174.600 -0.052 0.000 1.105 562 S CA -0.977 57.181 58.200 -0.070 0.000 0.899 562 S CB 2.024 65.163 63.200 -0.101 0.000 1.100 562 S HN 0.362 nan 8.310 nan 0.000 0.482 563 S N 1.081 116.758 115.700 -0.038 0.000 2.585 563 S HA 0.480 4.949 4.470 -0.000 0.000 0.273 563 S C 1.333 175.919 174.600 -0.022 0.000 1.339 563 S CA -0.228 57.956 58.200 -0.026 0.000 1.028 563 S CB 0.777 63.967 63.200 -0.017 0.000 0.906 563 S HN 0.917 nan 8.310 nan 0.000 0.528 564 A N 2.302 125.112 122.820 -0.017 0.000 1.972 564 A HA 0.118 4.438 4.320 -0.000 0.000 0.219 564 A C 2.349 179.934 177.584 0.002 0.000 1.169 564 A CA 1.697 53.728 52.037 -0.011 0.000 0.635 564 A CB -1.562 17.431 19.000 -0.011 0.000 0.810 564 A HN 1.307 nan 8.150 nan 0.000 0.446 565 A N 0.126 122.947 122.820 0.002 0.000 1.877 565 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 565 A C 1.807 179.406 177.584 0.025 0.000 1.186 565 A CA 1.903 53.947 52.037 0.011 0.000 0.620 565 A CB -0.596 18.408 19.000 0.006 0.000 0.822 565 A HN 0.440 nan 8.150 nan 0.000 0.443 566 D N 0.059 120.471 120.400 0.020 0.000 2.097 566 D HA -0.120 4.520 4.640 -0.000 0.000 0.195 566 D C 1.858 178.199 176.300 0.070 0.000 0.989 566 D CA 1.225 55.248 54.000 0.038 0.000 0.827 566 D CB -0.386 40.418 40.800 0.008 0.000 0.966 566 D HN 0.523 nan 8.370 nan 0.000 0.456 567 I N 1.129 121.717 120.570 0.029 0.000 2.163 567 I HA -0.239 3.931 4.170 -0.000 0.000 0.243 567 I C 2.274 178.461 176.117 0.116 0.000 1.085 567 I CA 1.100 62.428 61.300 0.047 0.000 1.347 567 I CB -0.178 37.817 38.000 -0.008 0.000 1.044 567 I HN -0.078 nan 8.210 nan 0.000 0.408 568 E N 0.907 121.151 120.200 0.073 0.000 2.110 568 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 568 E C 2.306 178.953 176.600 0.078 0.000 0.988 568 E CA 1.390 57.831 56.400 0.067 0.000 0.804 568 E CB -0.362 29.358 29.700 0.034 0.000 0.745 568 E HN 0.520 nan 8.360 nan 0.000 0.458 569 A N 0.805 123.676 122.820 0.085 0.000 1.858 569 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 569 A C 2.150 179.792 177.584 0.096 0.000 1.190 569 A CA 1.319 53.397 52.037 0.069 0.000 0.617 569 A CB -0.945 18.096 19.000 0.067 0.000 0.827 569 A HN 0.280 nan 8.150 nan 0.000 0.443 570 F N 0.866 120.840 119.950 0.040 0.000 2.065 570 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 570 F C 2.283 178.160 175.800 0.127 0.000 1.112 570 F CA 2.389 60.472 58.000 0.138 0.000 1.212 570 F CB -0.154 38.931 39.000 0.142 0.000 0.975 570 F HN 0.129 nan 8.300 nan 0.000 0.476 571 K N -0.426 120.148 120.400 0.290 0.000 2.032 571 K HA -0.284 4.035 4.320 -0.000 0.000 0.209 571 K C 2.098 178.712 176.600 0.023 0.000 1.048 571 K CA 1.794 58.172 56.287 0.152 0.000 0.927 571 K CB -0.438 32.147 32.500 0.142 0.000 0.712 571 K HN 0.280 nan 8.250 nan 0.000 0.441 572 Q N 1.321 121.118 119.800 -0.005 0.000 2.030 572 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 572 Q C 2.048 177.960 176.000 -0.147 0.000 0.986 572 Q CA 1.752 57.523 55.803 -0.053 0.000 0.843 572 Q CB -0.152 28.558 28.738 -0.046 0.000 0.904 572 Q HN 0.178 nan 8.270 nan 0.000 0.420 573 R N -1.529 118.791 120.500 -0.300 0.000 2.096 573 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 573 R C 0.806 176.733 176.300 -0.621 0.000 1.127 573 R CA 1.462 57.221 56.100 -0.568 0.000 0.968 573 R CB -0.047 29.701 30.300 -0.920 0.000 0.861 573 R HN 0.354 nan 8.270 nan 0.000 0.440 574 Y N 0.589 120.776 120.300 -0.189 0.000 2.607 574 Y HA 0.262 4.811 4.550 -0.000 0.000 0.266 574 Y C -0.383 175.527 175.900 0.017 0.000 1.178 574 Y CA -0.370 57.640 58.100 -0.150 0.000 1.226 574 Y CB 0.242 38.455 38.460 -0.412 0.000 1.144 574 Y HN 0.124 nan 8.280 nan 0.000 0.528 575 E N -0.524 119.728 120.200 0.086 0.000 2.389 575 E HA -0.256 4.094 4.350 -0.000 0.000 0.243 575 E C 0.623 177.371 176.600 0.246 0.000 1.154 575 E CA 0.445 56.918 56.400 0.121 0.000 0.723 575 E CB -1.313 28.433 29.700 0.076 0.000 1.261 575 E HN 0.506 nan 8.360 nan 0.000 0.390 576 A N 0.274 123.186 122.820 0.153 0.000 2.574 576 A HA 0.184 4.504 4.320 -0.000 0.000 0.283 576 A C 1.498 179.140 177.584 0.096 0.000 1.270 576 A CA -0.177 51.909 52.037 0.081 0.000 0.945 576 A CB 0.299 19.276 19.000 -0.038 0.000 1.127 576 A HN 0.144 nan 8.150 nan 0.000 0.522 577 Q N 0.533 120.392 119.800 0.097 0.000 2.152 577 Q HA -0.176 4.164 4.340 -0.000 0.000 0.206 577 Q C 0.599 176.639 176.000 0.068 0.000 0.985 577 Q CA 2.067 57.914 55.803 0.074 0.000 0.863 577 Q CB -0.042 28.729 28.738 0.055 0.000 0.904 577 Q HN 0.552 nan 8.270 nan 0.000 0.422 578 D N -0.815 119.635 120.400 0.083 0.000 2.339 578 D HA 0.082 4.722 4.640 -0.000 0.000 0.217 578 D C -0.207 176.147 176.300 0.089 0.000 1.050 578 D CA 0.107 54.154 54.000 0.079 0.000 0.856 578 D CB 0.238 41.087 40.800 0.081 0.000 0.922 578 D HN 0.224 nan 8.370 nan 0.000 0.518 579 L N 1.635 122.902 121.223 0.074 0.000 2.380 579 L HA 0.108 4.448 4.340 -0.000 0.000 0.273 579 L C 0.509 177.416 176.870 0.061 0.000 1.138 579 L CA -0.113 54.771 54.840 0.073 0.000 0.832 579 L CB 0.729 42.793 42.059 0.009 0.000 1.124 579 L HN -0.232 nan 8.230 nan 0.000 0.454 580 Q N 4.437 124.286 119.800 0.083 0.000 2.306 580 Q HA 0.497 4.837 4.340 -0.000 0.000 0.265 580 Q C -2.355 173.631 176.000 -0.023 0.000 1.022 580 Q CA -2.060 53.726 55.803 -0.029 0.000 0.853 580 Q CB 1.799 30.425 28.738 -0.185 0.000 1.327 580 Q HN 0.326 nan 8.270 nan 0.000 0.449 581 P HA 0.025 nan 4.420 nan 0.000 0.274 581 P C 0.775 178.033 177.300 -0.069 0.000 1.231 581 P CA -0.441 62.606 63.100 -0.089 0.000 0.790 581 P CB 0.972 32.602 31.700 -0.117 0.000 0.951 582 L N 3.202 124.425 121.223 0.000 0.000 2.089 582 L HA -0.258 4.082 4.340 -0.000 0.000 0.213 582 L C 2.450 179.344 176.870 0.039 0.000 1.079 582 L CA 2.835 57.724 54.840 0.081 0.000 0.758 582 L CB -1.664 40.407 42.059 0.019 0.000 0.891 582 L HN 0.520 nan 8.230 nan 0.000 0.433 583 S N -2.602 113.083 115.700 -0.025 0.000 2.387 583 S HA -0.255 4.215 4.470 -0.000 0.000 0.230 583 S C 1.900 176.449 174.600 -0.084 0.000 1.035 583 S CA 1.750 59.934 58.200 -0.028 0.000 1.014 583 S CB -1.390 61.783 63.200 -0.045 0.000 0.836 583 S HN 0.581 nan 8.310 nan 0.000 0.466 584 T N 1.223 115.649 114.554 -0.214 0.000 2.720 584 T HA -0.086 4.264 4.350 -0.000 0.000 0.268 584 T C 1.393 175.886 174.700 -0.345 0.000 1.037 584 T CA 1.926 63.812 62.100 -0.356 0.000 1.144 584 T CB -0.536 67.984 68.868 -0.579 0.000 0.864 584 T HN 0.638 nan 8.240 nan 0.000 0.444 585 Y N 0.851 121.156 120.300 0.009 0.000 2.337 585 Y HA 0.222 4.772 4.550 -0.000 0.000 0.293 585 Y C 2.165 178.165 175.900 0.167 0.000 1.123 585 Y CA -0.060 58.086 58.100 0.076 0.000 1.201 585 Y CB -0.772 37.753 38.460 0.107 0.000 1.011 585 Y HN 0.128 nan 8.280 nan 0.000 0.545 586 L N 0.173 121.540 121.223 0.240 0.000 1.989 586 L HA -0.277 4.063 4.340 -0.000 0.000 0.211 586 L C 2.330 179.298 176.870 0.164 0.000 1.071 586 L CA 1.749 56.726 54.840 0.229 0.000 0.749 586 L CB -0.603 41.566 42.059 0.183 0.000 0.890 586 L HN 0.140 nan 8.230 nan 0.000 0.431 587 K N -0.365 120.072 120.400 0.061 0.000 2.063 587 K HA -0.262 4.057 4.320 -0.000 0.000 0.208 587 K C 2.152 178.728 176.600 -0.041 0.000 1.048 587 K CA 1.456 57.748 56.287 0.007 0.000 0.928 587 K CB -0.231 32.248 32.500 -0.035 0.000 0.713 587 K HN 0.342 nan 8.250 nan 0.000 0.442 588 Q N 0.025 119.758 119.800 -0.111 0.000 2.152 588 Q HA -0.166 4.174 4.340 -0.000 0.000 0.206 588 Q C 0.858 176.588 176.000 -0.450 0.000 0.985 588 Q CA 1.585 57.197 55.803 -0.319 0.000 0.863 588 Q CB 0.073 28.538 28.738 -0.455 0.000 0.904 588 Q HN 0.269 nan 8.270 nan 0.000 0.422 589 F N -1.210 118.784 119.950 0.074 0.000 2.641 589 F HA 0.339 4.866 4.527 -0.000 0.000 0.302 589 F C 1.105 176.952 175.800 0.078 0.000 1.098 589 F CA 0.487 58.534 58.000 0.078 0.000 1.318 589 F CB 1.037 40.090 39.000 0.089 0.000 1.035 589 F HN 0.184 nan 8.300 nan 0.000 0.551 590 G N 0.844 109.738 108.800 0.157 0.000 2.130 590 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 590 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 590 G C -0.226 174.747 174.900 0.121 0.000 0.999 590 G CA -0.394 44.776 45.100 0.116 0.000 0.686 590 G HN 0.266 nan 8.290 nan 0.000 0.515 591 L N 0.551 121.859 121.223 0.142 0.000 2.334 591 L HA 0.658 4.998 4.340 -0.000 0.000 0.273 591 L C 0.387 177.316 176.870 0.097 0.000 1.013 591 L CA -0.860 54.061 54.840 0.136 0.000 0.816 591 L CB 1.618 43.800 42.059 0.206 0.000 1.278 591 L HN 0.420 nan 8.230 nan 0.000 0.431 592 D N -0.888 119.557 120.400 0.074 0.000 2.569 592 D HA 0.453 5.093 4.640 -0.000 0.000 0.266 592 D C -1.043 175.290 176.300 0.055 0.000 1.164 592 D CA -0.590 53.441 54.000 0.051 0.000 1.071 592 D CB 1.046 41.864 40.800 0.029 0.000 1.183 592 D HN 0.257 nan 8.370 nan 0.000 0.613 593 D N 0.000 120.420 120.400 0.034 0.000 6.856 593 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 593 D CA 0.000 54.018 54.000 0.030 0.000 0.868 593 D CB 0.000 40.811 40.800 0.018 0.000 0.688 593 D HN 0.000 nan 8.370 nan 0.000 0.683