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 1pow_1_A 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 FIKDEQEDTN QNDFIGVEFN DIDFSKIADG DATA SEQUENCE VHMQAFRVNK IEQLPDVFEQ AKAIAQHEPV LIDAVITGDR PLPAEKLRLD DATA SEQUENCE SAMSSAADIE AFKQRYEAQD LQPLSTYLKQ FGLDD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.736 174.700 0.061 0.000 1.109 9 T CA 0.000 62.127 62.100 0.044 0.000 1.349 9 T CB 0.000 68.887 68.868 0.032 0.000 0.612 10 N N 0.689 119.424 118.700 0.058 0.000 2.443 10 N HA 0.776 5.515 4.740 -0.002 0.000 0.293 10 N C -1.070 174.484 175.510 0.073 0.000 1.159 10 N CA -0.600 52.490 53.050 0.067 0.000 0.904 10 N CB 2.469 40.986 38.487 0.050 0.000 1.214 10 N HN 0.521 nan 8.380 nan 0.000 0.513 11 I N 0.307 120.924 120.570 0.078 0.000 3.042 11 I HA 0.423 4.592 4.170 -0.002 0.000 0.310 11 I C -1.368 174.762 176.117 0.022 0.000 1.117 11 I CA -0.964 60.371 61.300 0.059 0.000 1.003 11 I CB 1.542 39.600 38.000 0.097 0.000 1.228 11 I HN 0.295 nan 8.210 nan 0.000 0.443 12 L N 4.700 125.922 121.223 -0.002 0.000 2.371 12 L HA 0.356 4.695 4.340 -0.002 0.000 0.272 12 L C 1.442 178.263 176.870 -0.081 0.000 1.124 12 L CA -0.089 54.745 54.840 -0.010 0.000 0.816 12 L CB 1.443 43.513 42.059 0.019 0.000 1.129 12 L HN 0.843 nan 8.230 nan 0.000 0.448 13 A N 3.025 125.795 122.820 -0.082 0.000 1.917 13 A HA -0.159 4.160 4.320 -0.002 0.000 0.219 13 A C 2.108 179.571 177.584 -0.203 0.000 1.182 13 A CA 2.046 53.999 52.037 -0.140 0.000 0.633 13 A CB -1.066 17.873 19.000 -0.101 0.000 0.819 13 A HN 1.000 nan 8.150 nan 0.000 0.448 14 G N -0.892 107.791 108.800 -0.195 0.000 2.432 14 G HA2 0.041 4.000 3.960 -0.002 0.000 0.219 14 G HA3 0.041 4.000 3.960 -0.002 0.000 0.219 14 G C 1.660 176.422 174.900 -0.229 0.000 1.135 14 G CA 1.354 46.310 45.100 -0.241 0.000 0.767 14 G HN 0.807 nan 8.290 nan 0.000 0.550 15 A N 1.106 123.808 122.820 -0.196 0.000 1.897 15 A HA 0.385 4.704 4.320 -0.002 0.000 0.215 15 A C 2.798 180.199 177.584 -0.304 0.000 1.181 15 A CA 1.967 53.891 52.037 -0.189 0.000 0.620 15 A CB -0.714 18.216 19.000 -0.117 0.000 0.821 15 A HN 0.684 nan 8.150 nan 0.000 0.443 16 A N -0.537 122.009 122.820 -0.456 0.000 1.902 16 A HA 0.003 4.322 4.320 -0.002 0.000 0.217 16 A C 2.211 179.354 177.584 -0.734 0.000 1.181 16 A CA 1.712 53.195 52.037 -0.924 0.000 0.623 16 A CB -0.922 17.382 19.000 -1.159 0.000 0.818 16 A HN 0.358 nan 8.150 nan 0.000 0.443 17 V N 0.559 120.210 119.914 -0.438 0.000 2.332 17 V HA -0.242 3.877 4.120 -0.002 0.000 0.248 17 V C 2.384 178.335 176.094 -0.238 0.000 1.055 17 V CA 1.815 63.937 62.300 -0.296 0.000 1.038 17 V CB -0.571 31.108 31.823 -0.240 0.000 0.651 17 V HN 0.528 nan 8.190 nan 0.000 0.450 18 I N -0.554 119.877 120.570 -0.233 0.000 2.439 18 I HA -0.095 4.074 4.170 -0.002 0.000 0.251 18 I C 2.404 178.446 176.117 -0.126 0.000 1.139 18 I CA 1.261 62.463 61.300 -0.164 0.000 1.438 18 I CB -1.238 36.668 38.000 -0.157 0.000 1.085 18 I HN 0.290 nan 8.210 nan 0.000 0.427 19 K N 0.779 121.069 120.400 -0.182 0.000 2.097 19 K HA -0.064 4.255 4.320 -0.002 0.000 0.206 19 K C 2.282 178.898 176.600 0.026 0.000 1.049 19 K CA 0.803 57.043 56.287 -0.079 0.000 0.933 19 K CB -0.690 31.738 32.500 -0.120 0.000 0.717 19 K HN 0.188 nan 8.250 nan 0.000 0.442 20 V N 1.945 121.835 119.914 -0.041 0.000 2.343 20 V HA -0.229 3.890 4.120 -0.002 0.000 0.247 20 V C 2.428 178.658 176.094 0.227 0.000 1.051 20 V CA 1.477 63.872 62.300 0.157 0.000 1.036 20 V CB -0.424 31.454 31.823 0.091 0.000 0.654 20 V HN 0.201 nan 8.190 nan 0.000 0.451 21 L N -0.531 120.746 121.223 0.090 0.000 2.046 21 L HA -0.199 4.140 4.340 -0.002 0.000 0.208 21 L C 2.546 179.483 176.870 0.111 0.000 1.077 21 L CA 1.705 56.598 54.840 0.088 0.000 0.747 21 L CB -0.711 41.339 42.059 -0.015 0.000 0.896 21 L HN 0.380 nan 8.230 nan 0.000 0.432 22 E N 0.329 120.568 120.200 0.065 0.000 2.085 22 E HA -0.237 4.112 4.350 -0.002 0.000 0.194 22 E C 2.316 178.962 176.600 0.077 0.000 0.994 22 E CA 1.218 57.651 56.400 0.055 0.000 0.801 22 E CB -0.188 29.532 29.700 0.033 0.000 0.743 22 E HN 0.503 nan 8.360 nan 0.000 0.453 23 A N 0.390 123.267 122.820 0.094 0.000 1.972 23 A HA -0.166 4.153 4.320 -0.002 0.000 0.219 23 A C 1.381 178.934 177.584 -0.052 0.000 1.169 23 A CA 0.985 53.033 52.037 0.018 0.000 0.635 23 A CB -0.823 18.184 19.000 0.011 0.000 0.810 23 A HN 0.378 nan 8.150 nan 0.000 0.446 24 W N -0.700 120.606 121.300 0.009 0.000 3.377 24 W HA 0.378 5.037 4.660 -0.002 0.000 0.277 24 W C 1.520 178.029 176.519 -0.017 0.000 1.311 24 W CA 0.741 58.081 57.345 -0.009 0.000 1.703 24 W CB -0.010 29.443 29.460 -0.012 0.000 1.095 24 W HN 0.564 nan 8.180 nan 0.000 0.715 25 G N 0.131 109.018 108.800 0.146 0.000 2.143 25 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.248 25 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.248 25 G C 0.019 174.954 174.900 0.059 0.000 0.991 25 G CA -0.008 45.144 45.100 0.086 0.000 0.689 25 G HN 0.024 nan 8.290 nan 0.000 0.522 26 V N 0.662 120.608 119.914 0.054 0.000 2.479 26 V HA 0.284 4.403 4.120 -0.002 0.000 0.281 26 V C 1.406 177.479 176.094 -0.035 0.000 1.031 26 V CA 1.145 63.429 62.300 -0.025 0.000 1.038 26 V CB 1.469 33.274 31.823 -0.030 0.000 0.981 26 V HN 0.455 nan 8.190 nan 0.000 0.478 27 D N 2.579 122.924 120.400 -0.092 0.000 2.262 27 D HA 0.024 4.663 4.640 -0.002 0.000 0.212 27 D C 0.642 177.002 176.300 0.100 0.000 0.964 27 D CA 0.705 54.722 54.000 0.029 0.000 0.875 27 D CB 0.389 41.222 40.800 0.055 0.000 0.996 27 D HN 0.820 nan 8.370 nan 0.000 0.497 28 H N -1.358 117.699 119.070 -0.022 0.000 2.980 28 H HA 0.547 5.102 4.556 -0.002 0.000 0.367 28 H C -0.836 174.337 175.328 -0.259 0.000 1.206 28 H CA -1.142 54.830 56.048 -0.127 0.000 1.126 28 H CB 1.017 30.652 29.762 -0.212 0.000 1.838 28 H HN 0.059 nan 8.280 nan 0.000 0.552 29 L N -0.971 120.124 121.223 -0.212 0.000 2.479 29 L HA 0.713 5.052 4.340 -0.002 0.000 0.255 29 L C -1.921 174.716 176.870 -0.388 0.000 1.026 29 L CA -1.245 53.454 54.840 -0.235 0.000 0.842 29 L CB 2.233 44.338 42.059 0.077 0.000 1.444 29 L HN 0.478 nan 8.230 nan 0.000 0.409 30 Y N -0.421 119.926 120.300 0.078 0.000 2.536 30 Y HA 0.992 5.541 4.550 -0.002 0.000 0.347 30 Y C 0.613 176.313 175.900 -0.333 0.000 1.000 30 Y CA -0.268 57.775 58.100 -0.095 0.000 1.051 30 Y CB 2.433 40.817 38.460 -0.126 0.000 1.259 30 Y HN 1.049 nan 8.280 nan 0.000 0.468 31 G N 0.685 109.294 108.800 -0.318 0.000 2.324 31 G HA2 0.447 4.406 3.960 -0.002 0.000 0.293 31 G HA3 0.447 4.406 3.960 -0.002 0.000 0.293 31 G C -2.299 172.432 174.900 -0.283 0.000 1.297 31 G CA -0.966 43.610 45.100 -0.874 0.000 0.853 31 G HN 0.525 nan 8.290 nan 0.000 0.535 32 I N 2.208 122.649 120.570 -0.215 0.000 2.498 32 I HA 0.394 4.563 4.170 -0.002 0.000 0.290 32 I C -1.957 174.313 176.117 0.254 0.000 1.032 32 I CA -2.050 59.319 61.300 0.114 0.000 1.073 32 I CB 2.859 40.900 38.000 0.067 0.000 1.251 32 I HN 0.345 nan 8.210 nan 0.000 0.426 33 P HA 0.336 nan 4.420 nan 0.000 0.273 33 P C -0.374 177.013 177.300 0.145 0.000 1.250 33 P CA 0.032 63.263 63.100 0.218 0.000 0.793 33 P CB 1.102 32.880 31.700 0.130 0.000 1.011 34 G N -1.771 107.085 108.800 0.093 0.000 2.579 34 G HA2 0.413 4.372 3.960 -0.002 0.000 0.292 34 G HA3 0.413 4.372 3.960 -0.002 0.000 0.292 34 G C 0.658 175.580 174.900 0.037 0.000 1.484 34 G CA -0.094 45.048 45.100 0.070 0.000 0.813 34 G HN 0.490 nan 8.290 nan 0.000 0.515 35 G N 0.166 108.994 108.800 0.046 0.000 2.469 35 G HA2 -0.115 3.844 3.960 -0.002 0.000 0.220 35 G HA3 -0.115 3.844 3.960 -0.002 0.000 0.220 35 G C 1.976 176.860 174.900 -0.026 0.000 1.136 35 G CA 2.275 47.394 45.100 0.032 0.000 0.759 35 G HN 1.546 nan 8.290 nan 0.000 0.562 36 S N -0.499 115.181 115.700 -0.034 0.000 2.555 36 S HA 0.157 4.626 4.470 -0.002 0.000 0.230 36 S C 1.497 176.025 174.600 -0.120 0.000 0.978 36 S CA 0.717 58.871 58.200 -0.077 0.000 0.934 36 S CB 0.181 63.366 63.200 -0.024 0.000 0.766 36 S HN 0.270 nan 8.310 nan 0.000 0.533 37 I N 0.524 121.020 120.570 -0.124 0.000 3.966 37 I HA 0.389 4.558 4.170 -0.002 0.000 0.324 37 I C 0.668 176.618 176.117 -0.278 0.000 1.517 37 I CA -0.135 61.042 61.300 -0.205 0.000 1.117 37 I CB 0.257 38.192 38.000 -0.108 0.000 1.190 37 I HN -0.079 nan 8.210 nan 0.000 0.466 38 N N 0.428 118.988 118.700 -0.234 0.000 2.396 38 N HA -0.093 4.646 4.740 -0.002 0.000 0.180 38 N C 1.933 177.194 175.510 -0.415 0.000 1.028 38 N CA 1.445 54.372 53.050 -0.205 0.000 0.893 38 N CB 0.071 38.557 38.487 -0.002 0.000 0.967 38 N HN 0.537 nan 8.380 nan 0.000 0.440 39 S N -0.331 114.836 115.700 -0.888 0.000 2.461 39 S HA 0.043 4.512 4.470 -0.002 0.000 0.228 39 S C 1.823 175.984 174.600 -0.732 0.000 1.005 39 S CA 0.299 57.671 58.200 -1.380 0.000 0.942 39 S CB -0.003 62.011 63.200 -1.978 0.000 0.776 39 S HN 0.080 nan 8.310 nan 0.000 0.514 40 I N 1.591 121.821 120.570 -0.566 0.000 2.333 40 I HA 0.030 4.199 4.170 -0.002 0.000 0.246 40 I C 2.371 178.218 176.117 -0.449 0.000 1.106 40 I CA 0.978 61.990 61.300 -0.481 0.000 1.411 40 I CB -1.081 36.608 38.000 -0.519 0.000 1.082 40 I HN 0.285 nan 8.210 nan 0.000 0.420 41 M N 0.273 119.609 119.600 -0.439 0.000 2.108 41 M HA -0.230 4.249 4.480 -0.002 0.000 0.261 41 M C 1.953 178.115 176.300 -0.231 0.000 1.066 41 M CA 1.599 56.682 55.300 -0.363 0.000 1.107 41 M CB -1.457 30.984 32.600 -0.264 0.000 1.356 41 M HN 0.161 nan 8.290 nan 0.000 0.406 42 D N 0.229 120.527 120.400 -0.170 0.000 2.104 42 D HA -0.084 4.555 4.640 -0.002 0.000 0.194 42 D C 1.959 178.210 176.300 -0.081 0.000 0.994 42 D CA 1.871 55.841 54.000 -0.051 0.000 0.830 42 D CB -0.002 40.856 40.800 0.096 0.000 0.959 42 D HN 0.298 nan 8.370 nan 0.000 0.452 43 A N 0.300 123.029 122.820 -0.153 0.000 1.883 43 A HA -0.155 4.164 4.320 -0.002 0.000 0.217 43 A C 2.539 180.041 177.584 -0.138 0.000 1.186 43 A CA 1.284 53.234 52.037 -0.146 0.000 0.624 43 A CB -0.921 17.954 19.000 -0.208 0.000 0.822 43 A HN 0.354 nan 8.150 nan 0.000 0.444 44 L N -0.713 120.402 121.223 -0.179 0.000 2.083 44 L HA -0.181 4.158 4.340 -0.002 0.000 0.209 44 L C 2.937 179.752 176.870 -0.092 0.000 1.083 44 L CA 1.504 56.252 54.840 -0.154 0.000 0.752 44 L CB -0.474 41.449 42.059 -0.227 0.000 0.899 44 L HN 0.527 nan 8.230 nan 0.000 0.433 45 S N -0.193 115.459 115.700 -0.080 0.000 2.359 45 S HA -0.222 4.247 4.470 -0.002 0.000 0.224 45 S C 2.154 176.743 174.600 -0.018 0.000 1.035 45 S CA 1.346 59.529 58.200 -0.029 0.000 1.018 45 S CB -0.144 63.044 63.200 -0.019 0.000 0.876 45 S HN 0.450 nan 8.310 nan 0.000 0.448 46 A N 1.000 123.804 122.820 -0.027 0.000 1.978 46 A HA -0.058 4.261 4.320 -0.002 0.000 0.220 46 A C 1.816 179.385 177.584 -0.025 0.000 1.170 46 A CA 1.497 53.523 52.037 -0.019 0.000 0.636 46 A CB -0.360 18.628 19.000 -0.020 0.000 0.810 46 A HN 0.597 nan 8.150 nan 0.000 0.448 47 E N -0.533 119.640 120.200 -0.045 0.000 2.451 47 E HA -0.005 4.344 4.350 -0.002 0.000 0.194 47 E C 1.526 178.081 176.600 -0.075 0.000 1.027 47 E CA 0.183 56.548 56.400 -0.058 0.000 0.914 47 E CB -0.040 29.614 29.700 -0.077 0.000 1.054 47 E HN 0.863 nan 8.360 nan 0.000 0.461 48 R N 0.421 120.895 120.500 -0.043 0.000 2.249 48 R HA -0.117 4.222 4.340 -0.002 0.000 0.230 48 R C 0.640 176.902 176.300 -0.062 0.000 1.121 48 R CA 1.251 57.332 56.100 -0.032 0.000 0.997 48 R CB -0.071 30.253 30.300 0.038 0.000 0.867 48 R HN -0.113 nan 8.270 nan 0.000 0.465 49 D N 0.093 120.466 120.400 -0.045 0.000 2.305 49 D HA 0.011 4.650 4.640 -0.002 0.000 0.206 49 D C 1.721 177.987 176.300 -0.058 0.000 0.974 49 D CA 0.568 54.567 54.000 -0.002 0.000 0.871 49 D CB 0.120 40.935 40.800 0.024 0.000 0.947 49 D HN 0.189 nan 8.370 nan 0.000 0.516 50 R N -0.262 120.151 120.500 -0.146 0.000 2.167 50 R HA 0.317 4.656 4.340 -0.002 0.000 0.201 50 R C 0.653 176.791 176.300 -0.271 0.000 1.024 50 R CA -0.033 55.990 56.100 -0.128 0.000 1.053 50 R CB 1.257 31.520 30.300 -0.061 0.000 0.987 50 R HN 0.185 nan 8.270 nan 0.000 0.493 51 I N 1.173 121.504 120.570 -0.397 0.000 2.647 51 I HA 0.263 4.432 4.170 -0.002 0.000 0.295 51 I C -1.140 174.696 176.117 -0.469 0.000 1.078 51 I CA -0.795 60.297 61.300 -0.347 0.000 1.048 51 I CB 1.985 39.904 38.000 -0.135 0.000 1.239 51 I HN 0.079 nan 8.210 nan 0.000 0.421 52 H N 6.592 125.698 119.070 0.061 0.000 2.539 52 H HA 0.194 4.749 4.556 -0.002 0.000 0.332 52 H C -1.484 173.892 175.328 0.080 0.000 1.031 52 H CA -0.421 55.674 56.048 0.079 0.000 1.206 52 H CB 1.507 31.304 29.762 0.058 0.000 1.446 52 H HN 0.507 nan 8.280 nan 0.000 0.496 53 Y N 4.580 124.924 120.300 0.073 0.000 2.316 53 Y HA 0.243 4.792 4.550 -0.002 0.000 0.331 53 Y C -0.847 175.047 175.900 -0.010 0.000 1.083 53 Y CA -0.934 57.192 58.100 0.043 0.000 1.206 53 Y CB 0.574 39.096 38.460 0.102 0.000 1.195 53 Y HN 0.420 nan 8.280 nan 0.000 0.497 54 I N 7.218 127.358 120.570 -0.718 0.000 2.354 54 I HA 0.188 4.357 4.170 -0.002 0.000 0.286 54 I C -0.258 175.347 176.117 -0.854 0.000 1.007 54 I CA -0.697 60.078 61.300 -0.876 0.000 1.167 54 I CB 1.177 38.740 38.000 -0.729 0.000 1.320 54 I HN 0.657 nan 8.210 nan 0.000 0.458 55 Q N 6.566 125.915 119.800 -0.751 0.000 2.293 55 Q HA 0.363 4.702 4.340 -0.002 0.000 0.263 55 Q C -0.707 175.259 176.000 -0.056 0.000 1.002 55 Q CA -0.180 55.421 55.803 -0.336 0.000 0.910 55 Q CB 1.488 30.216 28.738 -0.017 0.000 1.185 55 Q HN 0.601 nan 8.270 nan 0.000 0.401 56 V N 2.603 122.503 119.914 -0.023 0.000 3.211 56 V HA 0.501 4.620 4.120 -0.002 0.000 0.319 56 V C 0.813 176.942 176.094 0.058 0.000 1.096 56 V CA -0.772 61.542 62.300 0.023 0.000 1.029 56 V CB 1.549 33.373 31.823 0.002 0.000 1.137 56 V HN 0.750 nan 8.190 nan 0.000 0.453 57 R N -0.364 120.178 120.500 0.069 0.000 2.290 57 R HA 0.264 4.603 4.340 -0.002 0.000 0.197 57 R C 0.157 176.530 176.300 0.121 0.000 0.913 57 R CA 0.402 56.552 56.100 0.084 0.000 1.040 57 R CB -0.268 30.076 30.300 0.073 0.000 0.992 57 R HN 0.939 nan 8.270 nan 0.000 0.500 58 H N -0.004 119.061 119.070 -0.008 0.000 2.954 58 H HA 0.192 4.747 4.556 -0.002 0.000 0.361 58 H C -0.187 175.117 175.328 -0.041 0.000 1.122 58 H CA -0.304 55.727 56.048 -0.028 0.000 1.217 58 H CB 1.711 31.417 29.762 -0.095 0.000 1.776 58 H HN -0.234 nan 8.280 nan 0.000 0.533 59 E N 2.155 122.466 120.200 0.185 0.000 2.265 59 E HA -0.161 4.188 4.350 -0.002 0.000 0.196 59 E C 1.709 178.398 176.600 0.148 0.000 0.996 59 E CA 1.375 57.860 56.400 0.141 0.000 0.832 59 E CB 0.200 29.983 29.700 0.139 0.000 0.756 59 E HN 0.792 nan 8.360 nan 0.000 0.491 60 E N 0.413 120.756 120.200 0.238 0.000 2.204 60 E HA -0.138 4.211 4.350 -0.002 0.000 0.194 60 E C 1.803 178.382 176.600 -0.035 0.000 0.989 60 E CA 1.111 57.549 56.400 0.063 0.000 0.824 60 E CB -0.177 29.505 29.700 -0.030 0.000 0.756 60 E HN 0.094 nan 8.360 nan 0.000 0.477 61 V N 1.685 121.561 119.914 -0.063 0.000 2.427 61 V HA -0.162 3.957 4.120 -0.002 0.000 0.248 61 V C 2.513 178.488 176.094 -0.198 0.000 1.051 61 V CA 1.917 64.145 62.300 -0.120 0.000 1.048 61 V CB -0.825 30.942 31.823 -0.094 0.000 0.666 61 V HN 0.557 nan 8.190 nan 0.000 0.456 62 G N -0.350 108.361 108.800 -0.149 0.000 2.418 62 G HA2 -0.198 3.762 3.960 -0.002 0.000 0.217 62 G HA3 -0.198 3.762 3.960 -0.002 0.000 0.217 62 G C 1.723 176.501 174.900 -0.203 0.000 1.158 62 G CA 1.015 45.996 45.100 -0.198 0.000 0.771 62 G HN 0.604 nan 8.290 nan 0.000 0.545 63 A N 0.205 122.966 122.820 -0.098 0.000 1.968 63 A HA 0.218 4.537 4.320 -0.002 0.000 0.217 63 A C 2.412 179.939 177.584 -0.095 0.000 1.169 63 A CA 1.422 53.420 52.037 -0.064 0.000 0.638 63 A CB -0.244 18.751 19.000 -0.009 0.000 0.812 63 A HN 0.375 nan 8.150 nan 0.000 0.446 64 M N -0.689 118.843 119.600 -0.114 0.000 2.254 64 M HA -0.043 4.436 4.480 -0.002 0.000 0.265 64 M C 2.446 178.648 176.300 -0.163 0.000 1.066 64 M CA 1.193 56.432 55.300 -0.100 0.000 1.123 64 M CB -0.217 32.337 32.600 -0.076 0.000 1.388 64 M HN 0.466 nan 8.290 nan 0.000 0.425 65 A N 0.332 122.954 122.820 -0.331 0.000 1.897 65 A HA 0.025 4.344 4.320 -0.002 0.000 0.215 65 A C 2.354 179.745 177.584 -0.321 0.000 1.181 65 A CA 1.628 53.380 52.037 -0.475 0.000 0.620 65 A CB -0.892 17.448 19.000 -1.101 0.000 0.821 65 A HN 0.452 nan 8.150 nan 0.000 0.443 66 A N 0.153 122.810 122.820 -0.271 0.000 1.883 66 A HA 0.069 4.388 4.320 -0.002 0.000 0.217 66 A C 2.524 180.111 177.584 0.006 0.000 1.186 66 A CA 2.393 54.458 52.037 0.046 0.000 0.624 66 A CB -1.121 17.918 19.000 0.065 0.000 0.822 66 A HN 1.085 nan 8.150 nan 0.000 0.444 67 A N -0.246 122.550 122.820 -0.040 0.000 1.877 67 A HA 0.129 4.448 4.320 -0.002 0.000 0.216 67 A C 2.523 180.102 177.584 -0.008 0.000 1.186 67 A CA 2.280 54.299 52.037 -0.031 0.000 0.620 67 A CB -1.091 17.887 19.000 -0.038 0.000 0.822 67 A HN 1.167 nan 8.150 nan 0.000 0.443 68 A N -0.192 122.621 122.820 -0.010 0.000 1.972 68 A HA -0.178 4.141 4.320 -0.002 0.000 0.219 68 A C 1.755 179.378 177.584 0.064 0.000 1.169 68 A CA 1.808 53.859 52.037 0.022 0.000 0.635 68 A CB -0.560 18.447 19.000 0.012 0.000 0.810 68 A HN 0.499 nan 8.150 nan 0.000 0.446 69 D N 0.316 120.768 120.400 0.085 0.000 2.092 69 D HA -0.132 4.507 4.640 -0.002 0.000 0.193 69 D C 2.252 178.599 176.300 0.079 0.000 0.994 69 D CA 1.792 55.863 54.000 0.117 0.000 0.828 69 D CB -0.498 40.389 40.800 0.145 0.000 0.963 69 D HN 0.423 nan 8.370 nan 0.000 0.450 70 A N 0.802 123.652 122.820 0.050 0.000 2.019 70 A HA -0.189 4.130 4.320 -0.002 0.000 0.219 70 A C 2.061 179.682 177.584 0.063 0.000 1.164 70 A CA 1.364 53.428 52.037 0.045 0.000 0.644 70 A CB -0.315 18.688 19.000 0.005 0.000 0.805 70 A HN 0.158 nan 8.150 nan 0.000 0.449 71 K N -0.648 119.783 120.400 0.052 0.000 2.103 71 K HA 0.081 4.400 4.320 -0.002 0.000 0.204 71 K C 1.706 178.356 176.600 0.082 0.000 1.052 71 K CA 1.130 57.445 56.287 0.047 0.000 0.945 71 K CB -0.214 32.299 32.500 0.021 0.000 0.722 71 K HN 0.449 nan 8.250 nan 0.000 0.443 72 L N 0.158 121.455 121.223 0.123 0.000 2.209 72 L HA -0.067 4.272 4.340 -0.002 0.000 0.207 72 L C 2.396 179.408 176.870 0.237 0.000 1.094 72 L CA 1.216 56.180 54.840 0.207 0.000 0.790 72 L CB -0.169 42.075 42.059 0.308 0.000 0.932 72 L HN 0.340 nan 8.230 nan 0.000 0.447 73 T N -5.547 109.103 114.554 0.159 0.000 3.000 73 T HA 0.261 4.610 4.350 -0.002 0.000 0.248 73 T C 1.501 176.278 174.700 0.129 0.000 1.034 73 T CA 0.619 62.800 62.100 0.135 0.000 1.060 73 T CB 0.936 69.836 68.868 0.054 0.000 0.983 73 T HN 0.327 nan 8.240 nan 0.000 0.482 74 G N 1.610 110.487 108.800 0.128 0.000 2.195 74 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.246 74 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.246 74 G C -0.029 174.998 174.900 0.213 0.000 0.984 74 G CA 0.342 45.535 45.100 0.155 0.000 0.633 74 G HN 0.887 nan 8.290 nan 0.000 0.525 75 K N 0.606 121.109 120.400 0.171 0.000 2.118 75 K HA 0.662 4.981 4.320 -0.002 0.000 0.267 75 K C 0.715 177.356 176.600 0.068 0.000 0.991 75 K CA -1.028 55.382 56.287 0.205 0.000 0.916 75 K CB 0.871 33.439 32.500 0.114 0.000 1.041 75 K HN 0.216 nan 8.250 nan 0.000 0.455 76 I N 3.116 123.630 120.570 -0.094 0.000 2.752 76 I HA 0.014 4.183 4.170 -0.002 0.000 0.289 76 I C 0.372 176.389 176.117 -0.167 0.000 1.197 76 I CA 0.443 61.550 61.300 -0.322 0.000 1.432 76 I CB 0.348 37.903 38.000 -0.742 0.000 1.359 76 I HN 0.794 nan 8.210 nan 0.000 0.571 77 G N 6.459 115.188 108.800 -0.118 0.000 2.415 77 G HA2 0.491 4.450 3.960 -0.002 0.000 0.269 77 G HA3 0.491 4.450 3.960 -0.002 0.000 0.269 77 G C -0.989 173.888 174.900 -0.038 0.000 1.209 77 G CA -0.404 44.678 45.100 -0.030 0.000 0.835 77 G HN 0.500 nan 8.290 nan 0.000 0.534 78 V N 1.579 121.510 119.914 0.029 0.000 2.531 78 V HA 0.555 4.674 4.120 -0.002 0.000 0.301 78 V C 0.192 176.372 176.094 0.144 0.000 1.034 78 V CA -0.689 61.627 62.300 0.026 0.000 0.865 78 V CB 0.996 32.806 31.823 -0.021 0.000 0.995 78 V HN 1.206 nan 8.190 nan 0.000 0.424 79 C N 3.830 123.205 119.300 0.126 0.000 3.171 79 C HA 0.991 5.450 4.460 -0.002 0.000 0.308 79 C C -0.844 174.254 174.990 0.181 0.000 1.334 79 C CA -1.009 58.106 59.018 0.161 0.000 1.473 79 C CB 1.252 29.051 27.740 0.098 0.000 1.866 79 C HN 0.904 nan 8.230 nan 0.000 0.465 80 F N -0.148 119.837 119.950 0.059 0.000 2.675 80 F HA 1.005 5.531 4.527 -0.002 0.000 0.324 80 F C -0.132 175.688 175.800 0.032 0.000 1.106 80 F CA -0.437 57.566 58.000 0.006 0.000 0.970 80 F CB 1.446 40.433 39.000 -0.023 0.000 1.385 80 F HN 1.135 nan 8.300 nan 0.000 0.489 81 G N 0.045 108.976 108.800 0.217 0.000 2.718 81 G HA2 0.534 4.493 3.960 -0.002 0.000 0.295 81 G HA3 0.534 4.493 3.960 -0.002 0.000 0.295 81 G C -1.593 173.406 174.900 0.165 0.000 1.421 81 G CA -0.641 44.536 45.100 0.129 0.000 0.902 81 G HN 1.003 nan 8.290 nan 0.000 0.501 82 S N 0.060 115.834 115.700 0.123 0.000 2.634 82 S HA 0.708 5.177 4.470 -0.002 0.000 0.261 82 S C 0.923 175.547 174.600 0.040 0.000 1.271 82 S CA 0.090 58.336 58.200 0.076 0.000 0.985 82 S CB 1.247 64.485 63.200 0.064 0.000 0.968 82 S HN 1.873 nan 8.310 nan 0.000 0.568 83 A N 0.696 123.528 122.820 0.021 0.000 2.520 83 A HA 0.520 4.839 4.320 -0.002 0.000 0.235 83 A C 1.515 179.092 177.584 -0.011 0.000 1.065 83 A CA 0.277 52.325 52.037 0.017 0.000 0.764 83 A CB -1.448 17.564 19.000 0.020 0.000 1.002 83 A HN 2.370 nan 8.150 nan 0.000 0.502 84 G N 1.969 110.767 108.800 -0.003 0.000 2.574 84 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.301 84 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.301 84 G C -0.501 174.369 174.900 -0.049 0.000 1.166 84 G CA 0.536 45.611 45.100 -0.043 0.000 0.971 84 G HN 0.878 nan 8.290 nan 0.000 0.542 85 P HA -0.049 nan 4.420 nan 0.000 0.219 85 P C 1.929 179.093 177.300 -0.228 0.000 1.146 85 P CA 2.664 65.647 63.100 -0.195 0.000 0.808 85 P CB -0.709 30.861 31.700 -0.217 0.000 0.779 86 G N 0.428 109.169 108.800 -0.098 0.000 2.421 86 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.216 86 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.216 86 G C 1.891 176.823 174.900 0.053 0.000 1.171 86 G CA 0.936 46.023 45.100 -0.022 0.000 0.775 86 G HN 0.377 nan 8.290 nan 0.000 0.543 87 G N 0.553 109.403 108.800 0.083 0.000 2.402 87 G HA2 -0.140 3.820 3.960 -0.002 0.000 0.216 87 G HA3 -0.140 3.820 3.960 -0.002 0.000 0.216 87 G C 2.007 177.052 174.900 0.242 0.000 1.162 87 G CA 2.138 47.347 45.100 0.182 0.000 0.777 87 G HN 0.558 nan 8.290 nan 0.000 0.539 88 T N -2.062 112.578 114.554 0.143 0.000 2.915 88 T HA -0.094 4.255 4.350 -0.002 0.000 0.269 88 T C 1.919 176.742 174.700 0.205 0.000 1.071 88 T CA 1.430 63.603 62.100 0.121 0.000 1.132 88 T CB -0.657 68.225 68.868 0.022 0.000 0.878 88 T HN 0.537 nan 8.240 nan 0.000 0.479 89 H N 0.754 119.881 119.070 0.096 0.000 2.489 89 H HA 0.115 4.670 4.556 -0.002 0.000 0.293 89 H C 1.924 177.346 175.328 0.156 0.000 1.066 89 H CA 0.842 56.967 56.048 0.127 0.000 1.305 89 H CB -0.169 29.619 29.762 0.042 0.000 1.386 89 H HN 0.319 nan 8.280 nan 0.000 0.551 90 L N -0.080 121.291 121.223 0.246 0.000 2.291 90 L HA -0.173 4.166 4.340 -0.002 0.000 0.214 90 L C 2.235 179.203 176.870 0.164 0.000 1.120 90 L CA -0.041 54.898 54.840 0.166 0.000 0.799 90 L CB -0.233 41.900 42.059 0.123 0.000 0.925 90 L HN 0.356 nan 8.230 nan 0.000 0.446 91 M N 0.251 119.979 119.600 0.215 0.000 2.147 91 M HA -0.311 4.168 4.480 -0.002 0.000 0.253 91 M C 1.900 178.364 176.300 0.273 0.000 1.075 91 M CA 2.038 57.491 55.300 0.254 0.000 1.085 91 M CB -1.395 31.367 32.600 0.270 0.000 1.305 91 M HN 0.315 nan 8.290 nan 0.000 0.409 92 N N -0.184 118.663 118.700 0.244 0.000 2.244 92 N HA -0.061 4.678 4.740 -0.002 0.000 0.183 92 N C 1.732 177.356 175.510 0.190 0.000 1.016 92 N CA 1.466 54.699 53.050 0.305 0.000 0.866 92 N CB -0.510 38.122 38.487 0.243 0.000 0.980 92 N HN 0.514 nan 8.380 nan 0.000 0.430 93 G N 0.305 109.163 108.800 0.098 0.000 2.403 93 G HA2 -0.102 3.857 3.960 -0.002 0.000 0.216 93 G HA3 -0.102 3.857 3.960 -0.002 0.000 0.216 93 G C 1.384 176.271 174.900 -0.021 0.000 1.154 93 G CA 0.316 45.434 45.100 0.029 0.000 0.784 93 G HN 0.186 nan 8.290 nan 0.000 0.538 94 L N -1.119 120.085 121.223 -0.032 0.000 2.072 94 L HA 0.004 4.343 4.340 -0.002 0.000 0.205 94 L C 2.619 179.329 176.870 -0.265 0.000 1.079 94 L CA 0.848 55.612 54.840 -0.127 0.000 0.752 94 L CB -0.613 41.372 42.059 -0.123 0.000 0.906 94 L HN 0.126 nan 8.230 nan 0.000 0.436 95 Y N 0.474 120.570 120.300 -0.340 0.000 2.333 95 Y HA -0.268 4.281 4.550 -0.002 0.000 0.290 95 Y C 2.381 177.877 175.900 -0.674 0.000 1.144 95 Y CA 1.631 59.338 58.100 -0.656 0.000 1.228 95 Y CB -0.307 37.348 38.460 -1.342 0.000 0.985 95 Y HN 0.266 nan 8.280 nan 0.000 0.542 96 D N -0.394 119.821 120.400 -0.308 0.000 2.144 96 D HA -0.155 4.484 4.640 -0.002 0.000 0.200 96 D C 2.190 178.446 176.300 -0.074 0.000 0.978 96 D CA 1.264 55.224 54.000 -0.068 0.000 0.833 96 D CB -0.133 40.708 40.800 0.068 0.000 0.961 96 D HN 0.232 nan 8.370 nan 0.000 0.470 97 A N 0.141 122.900 122.820 -0.101 0.000 1.929 97 A HA -0.088 4.232 4.320 -0.002 0.000 0.216 97 A C 2.266 179.799 177.584 -0.085 0.000 1.176 97 A CA 1.246 53.231 52.037 -0.086 0.000 0.628 97 A CB -0.520 18.427 19.000 -0.089 0.000 0.816 97 A HN 0.188 nan 8.150 nan 0.000 0.444 98 R N -0.385 120.038 120.500 -0.127 0.000 2.070 98 R HA -0.134 4.205 4.340 -0.002 0.000 0.233 98 R C 1.949 178.236 176.300 -0.022 0.000 1.137 98 R CA 1.620 57.665 56.100 -0.092 0.000 0.945 98 R CB -0.200 29.995 30.300 -0.174 0.000 0.845 98 R HN 0.423 nan 8.270 nan 0.000 0.430 99 E N 0.640 120.823 120.200 -0.028 0.000 2.077 99 E HA -0.147 4.202 4.350 -0.002 0.000 0.193 99 E C 0.973 177.576 176.600 0.005 0.000 0.989 99 E CA 1.127 57.551 56.400 0.041 0.000 0.800 99 E CB -0.178 29.583 29.700 0.101 0.000 0.746 99 E HN 0.356 nan 8.360 nan 0.000 0.452 100 D N 0.197 120.544 120.400 -0.088 0.000 2.336 100 D HA -0.002 4.637 4.640 -0.002 0.000 0.228 100 D C -0.520 175.436 176.300 -0.572 0.000 1.120 100 D CA 0.055 53.873 54.000 -0.304 0.000 0.839 100 D CB -0.784 39.903 40.800 -0.188 0.000 0.932 100 D HN 0.324 nan 8.370 nan 0.000 0.509 101 H N -1.834 117.248 119.070 0.020 0.000 2.394 101 H HA -0.151 4.404 4.556 -0.002 0.000 0.322 101 H C -0.712 174.629 175.328 0.022 0.000 1.012 101 H CA 0.232 56.292 56.048 0.020 0.000 1.084 101 H CB -2.591 27.191 29.762 0.034 0.000 1.597 101 H HN -0.009 nan 8.280 nan 0.000 0.375 102 V N -1.920 118.020 119.914 0.044 0.000 2.735 102 V HA 0.718 4.837 4.120 -0.002 0.000 0.310 102 V C -2.353 173.735 176.094 -0.009 0.000 1.061 102 V CA -2.452 59.868 62.300 0.035 0.000 0.913 102 V CB 2.613 34.431 31.823 -0.007 0.000 1.005 102 V HN 0.333 nan 8.190 nan 0.000 0.428 103 P HA 0.315 nan 4.420 nan 0.000 0.271 103 P C -0.785 176.401 177.300 -0.189 0.000 1.226 103 P CA 0.153 63.157 63.100 -0.160 0.000 0.765 103 P CB 1.477 32.994 31.700 -0.305 0.000 0.835 104 V N 4.976 124.785 119.914 -0.175 0.000 2.760 104 V HA 0.330 4.449 4.120 -0.002 0.000 0.309 104 V C -0.282 175.714 176.094 -0.163 0.000 1.077 104 V CA -0.826 61.385 62.300 -0.149 0.000 0.910 104 V CB 2.366 34.131 31.823 -0.097 0.000 1.008 104 V HN 0.398 nan 8.190 nan 0.000 0.424 105 L N 4.263 125.392 121.223 -0.158 0.000 2.313 105 L HA 0.948 5.287 4.340 -0.002 0.000 0.283 105 L C -0.035 176.780 176.870 -0.093 0.000 1.013 105 L CA -0.177 54.576 54.840 -0.145 0.000 0.816 105 L CB 1.357 43.307 42.059 -0.181 0.000 1.236 105 L HN 0.794 nan 8.230 nan 0.000 0.419 106 A N 6.424 129.184 122.820 -0.101 0.000 2.304 106 A HA 0.728 5.047 4.320 -0.002 0.000 0.314 106 A C -1.166 176.351 177.584 -0.111 0.000 1.187 106 A CA -0.553 51.431 52.037 -0.087 0.000 0.810 106 A CB 0.615 19.537 19.000 -0.130 0.000 1.183 106 A HN 0.721 nan 8.150 nan 0.000 0.487 107 L N 3.635 124.833 121.223 -0.042 0.000 2.295 107 L HA 0.518 4.857 4.340 -0.002 0.000 0.285 107 L C -0.689 176.146 176.870 -0.058 0.000 1.035 107 L CA -0.657 54.142 54.840 -0.068 0.000 0.806 107 L CB 1.252 43.280 42.059 -0.051 0.000 1.214 107 L HN 0.475 nan 8.230 nan 0.000 0.426 108 I N 2.173 122.668 120.570 -0.126 0.000 2.465 108 I HA 0.376 4.545 4.170 -0.002 0.000 0.291 108 I C 0.707 176.784 176.117 -0.066 0.000 1.014 108 I CA -0.306 60.932 61.300 -0.103 0.000 1.093 108 I CB 1.508 39.377 38.000 -0.219 0.000 1.267 108 I HN 0.579 nan 8.210 nan 0.000 0.431 109 G N 4.163 112.948 108.800 -0.026 0.000 2.527 109 G HA2 0.403 4.362 3.960 -0.002 0.000 0.248 109 G HA3 0.403 4.362 3.960 -0.002 0.000 0.248 109 G C -0.558 174.331 174.900 -0.018 0.000 1.231 109 G CA 0.091 45.164 45.100 -0.045 0.000 0.838 109 G HN 0.568 nan 8.290 nan 0.000 0.570 110 Q N -0.251 119.536 119.800 -0.022 0.000 2.462 110 Q HA 0.521 4.860 4.340 -0.002 0.000 0.285 110 Q C -1.228 174.801 176.000 0.049 0.000 1.035 110 Q CA -0.913 54.910 55.803 0.033 0.000 0.799 110 Q CB 1.444 30.199 28.738 0.028 0.000 1.452 110 Q HN 0.430 nan 8.270 nan 0.000 0.404 111 F N 1.096 121.036 119.950 -0.017 0.000 2.539 111 F HA 0.522 5.048 4.527 -0.002 0.000 0.340 111 F C 1.137 176.941 175.800 0.007 0.000 1.185 111 F CA 1.375 59.377 58.000 0.003 0.000 1.333 111 F CB 0.632 39.637 39.000 0.007 0.000 1.152 111 F HN 0.626 nan 8.300 nan 0.000 0.602 112 G N 1.786 110.513 108.800 -0.122 0.000 2.614 112 G HA2 0.185 4.144 3.960 -0.002 0.000 0.239 112 G HA3 0.185 4.144 3.960 -0.002 0.000 0.239 112 G C 0.875 175.875 174.900 0.167 0.000 1.240 112 G CA 0.052 45.160 45.100 0.013 0.000 0.842 112 G HN 0.928 nan 8.290 nan 0.000 0.584 113 T N -1.767 112.846 114.554 0.098 0.000 2.849 113 T HA -0.236 4.113 4.350 -0.002 0.000 0.270 113 T C 2.286 177.051 174.700 0.109 0.000 1.066 113 T CA 2.228 64.384 62.100 0.092 0.000 1.130 113 T CB -0.726 68.174 68.868 0.054 0.000 0.864 113 T HN 0.651 nan 8.240 nan 0.000 0.481 114 T N -0.846 113.784 114.554 0.127 0.000 2.904 114 T HA 0.169 4.518 4.350 -0.002 0.000 0.267 114 T C 2.238 177.032 174.700 0.158 0.000 1.059 114 T CA 0.895 63.068 62.100 0.122 0.000 1.137 114 T CB -0.858 68.077 68.868 0.112 0.000 0.879 114 T HN 0.498 nan 8.240 nan 0.000 0.467 115 G N 0.507 109.483 108.800 0.294 0.000 2.744 115 G HA2 0.311 4.270 3.960 -0.002 0.000 0.211 115 G HA3 0.311 4.270 3.960 -0.002 0.000 0.211 115 G C 0.551 175.461 174.900 0.016 0.000 1.146 115 G CA -0.507 44.723 45.100 0.217 0.000 0.787 115 G HN 0.413 nan 8.290 nan 0.000 0.534 116 M N 1.076 120.750 119.600 0.123 0.000 2.249 116 M HA 0.093 4.572 4.480 -0.002 0.000 0.340 116 M C 0.532 176.830 176.300 -0.003 0.000 1.166 116 M CA 0.185 55.513 55.300 0.046 0.000 1.115 116 M CB 0.323 32.970 32.600 0.079 0.000 1.606 116 M HN 0.119 nan 8.290 nan 0.000 0.448 117 N N 0.898 119.581 118.700 -0.028 0.000 2.753 117 N HA -0.172 4.567 4.740 -0.002 0.000 0.251 117 N C -0.140 175.345 175.510 -0.043 0.000 1.097 117 N CA 0.931 53.963 53.050 -0.030 0.000 0.786 117 N CB -0.682 37.799 38.487 -0.010 0.000 1.137 117 N HN 0.618 nan 8.380 nan 0.000 0.566 118 M N -0.121 119.434 119.600 -0.075 0.000 2.383 118 M HA 0.087 4.566 4.480 -0.002 0.000 0.247 118 M C -0.121 176.124 176.300 -0.093 0.000 1.117 118 M CA 0.114 55.368 55.300 -0.076 0.000 0.995 118 M CB -0.400 32.149 32.600 -0.086 0.000 1.480 118 M HN -0.041 nan 8.290 nan 0.000 0.485 119 D N 1.780 122.118 120.400 -0.103 0.000 2.697 119 D HA -0.150 4.489 4.640 -0.002 0.000 0.235 119 D C 0.535 176.766 176.300 -0.114 0.000 1.167 119 D CA 0.976 54.919 54.000 -0.095 0.000 0.656 119 D CB -0.880 39.888 40.800 -0.053 0.000 1.025 119 D HN 0.311 nan 8.370 nan 0.000 0.419 120 T N -1.165 113.257 114.554 -0.219 0.000 2.867 120 T HA 0.398 4.747 4.350 -0.002 0.000 0.286 120 T C 0.030 174.652 174.700 -0.130 0.000 1.022 120 T CA -0.667 61.297 62.100 -0.226 0.000 0.933 120 T CB 0.554 69.125 68.868 -0.495 0.000 1.280 120 T HN 0.056 nan 8.240 nan 0.000 0.566 121 F N 1.907 121.752 119.950 -0.174 0.000 2.578 121 F HA 0.220 4.746 4.527 -0.002 0.000 0.376 121 F C 1.347 177.146 175.800 -0.002 0.000 1.085 121 F CA 0.314 58.286 58.000 -0.045 0.000 1.260 121 F CB -0.238 38.785 39.000 0.037 0.000 1.095 121 F HN 0.858 nan 8.300 nan 0.000 0.573 122 Q N 1.893 121.313 119.800 -0.633 0.000 2.461 122 Q HA -0.281 4.058 4.340 -0.002 0.000 0.264 122 Q C -0.712 175.172 176.000 -0.193 0.000 1.085 122 Q CA 1.235 56.719 55.803 -0.532 0.000 1.006 122 Q CB -0.822 27.438 28.738 -0.795 0.000 1.437 122 Q HN 0.716 nan 8.270 nan 0.000 0.514 123 E N 0.996 121.100 120.200 -0.160 0.000 2.176 123 E HA 0.538 4.887 4.350 -0.002 0.000 0.267 123 E C -0.469 176.077 176.600 -0.090 0.000 0.893 123 E CA -0.414 55.923 56.400 -0.104 0.000 0.761 123 E CB 0.863 30.405 29.700 -0.262 0.000 1.133 123 E HN 0.418 nan 8.360 nan 0.000 0.409 124 M N 2.311 121.883 119.600 -0.046 0.000 2.721 124 M HA 0.457 4.936 4.480 -0.002 0.000 0.271 124 M C -0.824 175.468 176.300 -0.012 0.000 1.259 124 M CA -1.177 54.101 55.300 -0.037 0.000 0.835 124 M CB 1.365 33.940 32.600 -0.041 0.000 1.689 124 M HN 0.152 nan 8.290 nan 0.000 0.470 125 N N 1.417 120.109 118.700 -0.012 0.000 2.405 125 N HA 0.140 4.879 4.740 -0.002 0.000 0.260 125 N C -0.304 175.210 175.510 0.007 0.000 1.152 125 N CA 0.378 53.428 53.050 0.000 0.000 0.948 125 N CB 0.530 39.013 38.487 -0.006 0.000 1.111 125 N HN 0.792 nan 8.380 nan 0.000 0.485 126 E N 2.066 122.287 120.200 0.036 0.000 2.474 126 E HA -0.023 4.326 4.350 -0.002 0.000 0.194 126 E C 0.907 177.579 176.600 0.120 0.000 1.041 126 E CA -0.107 56.342 56.400 0.080 0.000 0.874 126 E CB 0.170 29.960 29.700 0.150 0.000 0.914 126 E HN 0.645 nan 8.360 nan 0.000 0.498 127 N N 1.488 120.231 118.700 0.072 0.000 2.216 127 N HA -0.057 4.682 4.740 -0.002 0.000 0.183 127 N C -0.977 174.557 175.510 0.040 0.000 1.017 127 N CA 0.714 53.810 53.050 0.077 0.000 0.861 127 N CB -0.138 38.363 38.487 0.024 0.000 0.986 127 N HN 0.077 nan 8.380 nan 0.000 0.428 128 P HA 0.002 nan 4.420 nan 0.000 0.223 128 P C 1.305 178.547 177.300 -0.098 0.000 1.151 128 P CA 0.727 63.805 63.100 -0.037 0.000 0.787 128 P CB -0.017 31.662 31.700 -0.034 0.000 0.788 129 I N -2.546 117.901 120.570 -0.206 0.000 2.361 129 I HA -0.221 3.948 4.170 -0.002 0.000 0.251 129 I C 1.367 177.132 176.117 -0.585 0.000 1.133 129 I CA 1.557 62.589 61.300 -0.447 0.000 1.413 129 I CB -0.536 37.028 38.000 -0.726 0.000 1.073 129 I HN -0.020 nan 8.210 nan 0.000 0.424 130 Y N -0.089 120.198 120.300 -0.021 0.000 2.467 130 Y HA 0.377 4.926 4.550 -0.002 0.000 0.250 130 Y C 2.303 178.168 175.900 -0.059 0.000 1.155 130 Y CA 0.097 58.169 58.100 -0.047 0.000 1.249 130 Y CB -0.363 38.059 38.460 -0.064 0.000 1.146 130 Y HN -0.014 nan 8.280 nan 0.000 0.524 131 A N 0.186 123.025 122.820 0.032 0.000 1.978 131 A HA -0.270 4.049 4.320 -0.002 0.000 0.220 131 A C 1.811 179.399 177.584 0.008 0.000 1.170 131 A CA 2.380 54.427 52.037 0.016 0.000 0.636 131 A CB -0.580 18.422 19.000 0.004 0.000 0.810 131 A HN 0.451 nan 8.150 nan 0.000 0.448 132 D N -1.477 118.931 120.400 0.013 0.000 2.162 132 D HA -0.056 4.583 4.640 -0.002 0.000 0.203 132 D C 1.649 177.923 176.300 -0.044 0.000 0.967 132 D CA 1.156 55.173 54.000 0.029 0.000 0.840 132 D CB 0.070 40.936 40.800 0.110 0.000 0.972 132 D HN 0.104 nan 8.370 nan 0.000 0.482 133 V N -0.249 119.561 119.914 -0.173 0.000 2.878 133 V HA 0.344 4.463 4.120 -0.002 0.000 0.250 133 V C 0.702 176.667 176.094 -0.216 0.000 1.075 133 V CA 0.789 62.839 62.300 -0.417 0.000 1.096 133 V CB -0.169 31.149 31.823 -0.841 0.000 0.724 133 V HN 0.282 nan 8.190 nan 0.000 0.467 134 A N 0.086 122.847 122.820 -0.099 0.000 2.331 134 A HA 0.315 4.634 4.320 -0.002 0.000 0.283 134 A C 0.874 178.451 177.584 -0.011 0.000 1.142 134 A CA 0.330 52.337 52.037 -0.049 0.000 0.812 134 A CB 0.724 19.713 19.000 -0.018 0.000 1.074 134 A HN 0.514 nan 8.150 nan 0.000 0.497 135 D N 0.509 120.921 120.400 0.020 0.000 2.149 135 D HA -0.085 4.554 4.640 -0.002 0.000 0.201 135 D C -0.110 176.283 176.300 0.154 0.000 0.972 135 D CA 1.362 55.399 54.000 0.061 0.000 0.835 135 D CB 0.027 40.878 40.800 0.084 0.000 0.966 135 D HN 0.490 nan 8.370 nan 0.000 0.476 136 Y N 0.170 120.463 120.300 -0.012 0.000 2.406 136 Y HA 0.504 5.053 4.550 -0.002 0.000 0.340 136 Y C -1.633 174.251 175.900 -0.028 0.000 0.975 136 Y CA -1.615 56.479 58.100 -0.010 0.000 1.056 136 Y CB 1.344 39.797 38.460 -0.013 0.000 1.210 136 Y HN -0.145 nan 8.280 nan 0.000 0.448 137 N N 5.123 123.610 118.700 -0.355 0.000 2.581 137 N HA 0.549 5.288 4.740 -0.002 0.000 0.279 137 N C -2.273 173.025 175.510 -0.355 0.000 1.124 137 N CA -0.377 52.510 53.050 -0.272 0.000 0.833 137 N CB 1.248 39.685 38.487 -0.083 0.000 1.338 137 N HN 0.538 nan 8.380 nan 0.000 0.533 138 V N -0.063 119.614 119.914 -0.394 0.000 3.049 138 V HA 0.740 4.859 4.120 -0.002 0.000 0.309 138 V C -0.366 175.627 176.094 -0.169 0.000 1.148 138 V CA -0.747 61.377 62.300 -0.293 0.000 0.990 138 V CB 1.621 33.217 31.823 -0.379 0.000 1.039 138 V HN 0.444 nan 8.190 nan 0.000 0.430 139 T N 3.021 117.516 114.554 -0.100 0.000 2.749 139 T HA 0.738 5.087 4.350 -0.002 0.000 0.287 139 T C 0.259 174.929 174.700 -0.049 0.000 0.970 139 T CA 0.282 62.345 62.100 -0.062 0.000 0.980 139 T CB 1.208 70.059 68.868 -0.029 0.000 0.924 139 T HN 1.407 nan 8.240 nan 0.000 0.456 140 A N 2.630 125.422 122.820 -0.048 0.000 2.409 140 A HA 0.464 4.783 4.320 -0.002 0.000 0.267 140 A C 1.169 178.743 177.584 -0.017 0.000 1.127 140 A CA -0.602 51.417 52.037 -0.030 0.000 0.795 140 A CB -0.041 18.934 19.000 -0.042 0.000 1.061 140 A HN 0.996 nan 8.150 nan 0.000 0.502 141 V N 0.417 120.330 119.914 -0.002 0.000 3.276 141 V HA 0.371 4.490 4.120 -0.002 0.000 0.319 141 V C 0.112 176.212 176.094 0.010 0.000 1.427 141 V CA 0.023 62.327 62.300 0.005 0.000 1.102 141 V CB -0.939 30.890 31.823 0.010 0.000 1.020 141 V HN 0.807 nan 8.190 nan 0.000 0.456 142 N N -0.127 118.578 118.700 0.008 0.000 2.446 142 N HA 0.533 5.272 4.740 -0.002 0.000 0.272 142 N C 0.521 176.035 175.510 0.007 0.000 1.127 142 N CA 0.403 53.460 53.050 0.013 0.000 0.896 142 N CB 2.500 40.999 38.487 0.021 0.000 1.658 142 N HN 0.067 nan 8.380 nan 0.000 0.483 143 A N 2.395 125.219 122.820 0.006 0.000 1.970 143 A HA 0.189 4.508 4.320 -0.002 0.000 0.216 143 A C 1.896 179.483 177.584 0.005 0.000 1.170 143 A CA 1.677 53.711 52.037 -0.005 0.000 0.645 143 A CB -0.480 18.520 19.000 -0.000 0.000 0.816 143 A HN 0.729 nan 8.150 nan 0.000 0.447 144 A N -0.098 122.738 122.820 0.026 0.000 1.929 144 A HA -0.033 4.286 4.320 -0.002 0.000 0.216 144 A C 2.292 179.914 177.584 0.064 0.000 1.176 144 A CA 2.130 54.196 52.037 0.049 0.000 0.628 144 A CB -1.112 17.921 19.000 0.054 0.000 0.816 144 A HN 0.683 nan 8.150 nan 0.000 0.444 145 T N -2.298 112.290 114.554 0.056 0.000 3.113 145 T HA 0.051 4.400 4.350 -0.002 0.000 0.256 145 T C 1.588 176.341 174.700 0.089 0.000 1.131 145 T CA 0.884 63.034 62.100 0.082 0.000 1.074 145 T CB -0.265 68.644 68.868 0.068 0.000 0.944 145 T HN 0.151 nan 8.240 nan 0.000 0.516 146 L N 2.499 123.743 121.223 0.034 0.000 2.042 146 L HA 0.107 4.446 4.340 -0.002 0.000 0.210 146 L C -0.864 175.994 176.870 -0.020 0.000 1.076 146 L CA 1.813 56.650 54.840 -0.005 0.000 0.749 146 L CB -1.220 40.808 42.059 -0.052 0.000 0.893 146 L HN 0.120 nan 8.230 nan 0.000 0.432 147 P HA -0.217 nan 4.420 nan 0.000 0.215 147 P C 1.526 178.842 177.300 0.026 0.000 1.153 147 P CA 1.688 64.763 63.100 -0.042 0.000 0.853 147 P CB -0.325 31.339 31.700 -0.061 0.000 0.788 148 H N -0.194 118.872 119.070 -0.006 0.000 2.353 148 H HA -0.089 4.466 4.556 -0.002 0.000 0.300 148 H C 1.680 177.007 175.328 -0.003 0.000 1.090 148 H CA 1.456 57.486 56.048 -0.030 0.000 1.327 148 H CB -0.411 29.347 29.762 -0.006 0.000 1.383 148 H HN -0.119 nan 8.280 nan 0.000 0.508 149 V N 1.706 121.645 119.914 0.041 0.000 2.343 149 V HA -0.254 3.865 4.120 -0.002 0.000 0.247 149 V C 2.844 178.926 176.094 -0.021 0.000 1.051 149 V CA 1.367 63.691 62.300 0.038 0.000 1.036 149 V CB -0.464 31.410 31.823 0.084 0.000 0.654 149 V HN 0.392 nan 8.190 nan 0.000 0.451 150 I N 0.445 120.981 120.570 -0.057 0.000 2.226 150 I HA -0.219 3.950 4.170 -0.002 0.000 0.245 150 I C 2.354 178.387 176.117 -0.139 0.000 1.100 150 I CA 2.129 63.374 61.300 -0.091 0.000 1.374 150 I CB -1.194 36.747 38.000 -0.099 0.000 1.057 150 I HN 0.438 nan 8.210 nan 0.000 0.413 151 D N 0.787 121.111 120.400 -0.126 0.000 2.117 151 D HA -0.255 4.384 4.640 -0.002 0.000 0.197 151 D C 2.091 178.265 176.300 -0.210 0.000 0.987 151 D CA 1.238 55.187 54.000 -0.085 0.000 0.829 151 D CB 0.182 40.959 40.800 -0.039 0.000 0.961 151 D HN 0.174 nan 8.370 nan 0.000 0.460 152 E N 0.012 120.010 120.200 -0.335 0.000 2.077 152 E HA -0.116 4.233 4.350 -0.002 0.000 0.193 152 E C 1.888 178.219 176.600 -0.448 0.000 0.989 152 E CA 1.486 57.648 56.400 -0.397 0.000 0.800 152 E CB -0.581 28.864 29.700 -0.425 0.000 0.746 152 E HN 0.312 nan 8.360 nan 0.000 0.452 153 A N 0.453 123.090 122.820 -0.305 0.000 1.908 153 A HA -0.162 4.157 4.320 -0.002 0.000 0.218 153 A C 2.364 179.761 177.584 -0.310 0.000 1.181 153 A CA 1.674 53.589 52.037 -0.203 0.000 0.627 153 A CB -0.738 18.281 19.000 0.033 0.000 0.818 153 A HN 0.360 nan 8.150 nan 0.000 0.445 154 I N -1.435 118.879 120.570 -0.426 0.000 2.252 154 I HA -0.224 3.945 4.170 -0.002 0.000 0.245 154 I C 2.770 178.538 176.117 -0.582 0.000 1.102 154 I CA 1.297 62.200 61.300 -0.663 0.000 1.385 154 I CB -0.370 36.973 38.000 -1.094 0.000 1.064 154 I HN 0.293 nan 8.210 nan 0.000 0.414 155 R N 0.756 121.000 120.500 -0.426 0.000 2.091 155 R HA -0.160 4.179 4.340 -0.002 0.000 0.238 155 R C 2.499 178.685 176.300 -0.190 0.000 1.136 155 R CA 1.617 57.614 56.100 -0.171 0.000 0.959 155 R CB -0.121 30.152 30.300 -0.045 0.000 0.856 155 R HN 0.326 nan 8.270 nan 0.000 0.437 156 R N -0.605 119.715 120.500 -0.300 0.000 2.090 156 R HA -0.011 4.328 4.340 -0.002 0.000 0.228 156 R C 2.242 178.413 176.300 -0.214 0.000 1.110 156 R CA 1.094 56.992 56.100 -0.336 0.000 0.973 156 R CB -0.183 29.940 30.300 -0.295 0.000 0.869 156 R HN 0.191 nan 8.270 nan 0.000 0.440 157 A N 0.324 123.025 122.820 -0.198 0.000 1.930 157 A HA -0.169 4.150 4.320 -0.002 0.000 0.217 157 A C 1.645 179.149 177.584 -0.133 0.000 1.175 157 A CA 1.116 53.055 52.037 -0.164 0.000 0.627 157 A CB -0.501 18.334 19.000 -0.275 0.000 0.815 157 A HN 0.239 nan 8.150 nan 0.000 0.443 158 Y N -0.178 120.026 120.300 -0.160 0.000 2.133 158 Y HA -0.042 4.507 4.550 -0.002 0.000 0.287 158 Y C 2.994 178.882 175.900 -0.021 0.000 1.134 158 Y CA 0.710 58.769 58.100 -0.069 0.000 1.133 158 Y CB -0.932 37.499 38.460 -0.048 0.000 0.987 158 Y HN 0.307 nan 8.280 nan 0.000 0.502 159 A N -0.692 122.169 122.820 0.068 0.000 1.908 159 A HA -0.236 4.083 4.320 -0.002 0.000 0.218 159 A C 1.652 179.218 177.584 -0.031 0.000 1.181 159 A CA 2.184 54.182 52.037 -0.065 0.000 0.627 159 A CB -1.082 17.732 19.000 -0.309 0.000 0.818 159 A HN 0.705 nan 8.150 nan 0.000 0.445 160 H N -1.603 117.500 119.070 0.054 0.000 2.575 160 H HA 0.122 4.677 4.556 -0.002 0.000 0.267 160 H C -0.174 175.178 175.328 0.040 0.000 0.966 160 H CA -0.011 56.057 56.048 0.034 0.000 1.165 160 H CB 0.328 30.098 29.762 0.013 0.000 1.433 160 H HN 0.329 nan 8.280 nan 0.000 0.544 161 Q N 0.431 120.318 119.800 0.146 0.000 2.452 161 Q HA -0.138 4.201 4.340 -0.002 0.000 0.318 161 Q C 0.239 176.299 176.000 0.100 0.000 1.386 161 Q CA 0.983 56.859 55.803 0.123 0.000 0.872 161 Q CB -1.597 27.228 28.738 0.144 0.000 1.151 161 Q HN 0.764 nan 8.270 nan 0.000 0.417 162 G N -2.007 106.827 108.800 0.057 0.000 2.870 162 G HA2 0.643 4.602 3.960 -0.002 0.000 0.299 162 G HA3 0.643 4.602 3.960 -0.002 0.000 0.299 162 G C -0.856 174.025 174.900 -0.032 0.000 1.324 162 G CA -0.336 44.776 45.100 0.021 0.000 0.808 162 G HN 0.076 nan 8.290 nan 0.000 0.535 163 V N 0.518 120.402 119.914 -0.050 0.000 2.509 163 V HA 0.649 4.768 4.120 -0.002 0.000 0.284 163 V C 0.491 176.561 176.094 -0.040 0.000 1.047 163 V CA -0.161 62.093 62.300 -0.077 0.000 0.952 163 V CB 1.039 32.793 31.823 -0.116 0.000 0.988 163 V HN 1.120 nan 8.190 nan 0.000 0.469 164 A N 4.592 127.381 122.820 -0.051 0.000 2.343 164 A HA 0.846 5.165 4.320 -0.002 0.000 0.316 164 A C -0.987 176.564 177.584 -0.055 0.000 1.104 164 A CA -0.511 51.535 52.037 0.016 0.000 0.768 164 A CB 1.613 20.630 19.000 0.028 0.000 1.213 164 A HN 0.637 nan 8.150 nan 0.000 0.456 165 V N 2.788 122.650 119.914 -0.087 0.000 2.531 165 V HA 0.546 4.665 4.120 -0.002 0.000 0.301 165 V C -0.636 175.333 176.094 -0.208 0.000 1.034 165 V CA -0.501 61.682 62.300 -0.195 0.000 0.865 165 V CB 1.735 33.388 31.823 -0.283 0.000 0.995 165 V HN 0.682 nan 8.190 nan 0.000 0.424 166 V N 4.600 124.396 119.914 -0.197 0.000 2.531 166 V HA 0.472 4.591 4.120 -0.002 0.000 0.301 166 V C -0.556 175.435 176.094 -0.172 0.000 1.034 166 V CA -0.742 61.455 62.300 -0.171 0.000 0.865 166 V CB 1.877 33.632 31.823 -0.114 0.000 0.995 166 V HN 0.937 nan 8.190 nan 0.000 0.424 167 Q N 4.181 123.893 119.800 -0.146 0.000 2.257 167 Q HA 0.709 5.048 4.340 -0.002 0.000 0.255 167 Q C -0.926 175.021 176.000 -0.088 0.000 0.920 167 Q CA 0.037 55.773 55.803 -0.111 0.000 0.927 167 Q CB 2.116 30.819 28.738 -0.059 0.000 1.229 167 Q HN 0.691 nan 8.270 nan 0.000 0.433 168 I N 3.960 124.475 120.570 -0.091 0.000 2.439 168 I HA 0.342 4.511 4.170 -0.002 0.000 0.283 168 I C -2.362 173.701 176.117 -0.090 0.000 1.023 168 I CA -2.544 58.697 61.300 -0.099 0.000 1.100 168 I CB 1.951 39.867 38.000 -0.140 0.000 1.238 168 I HN 0.354 nan 8.210 nan 0.000 0.445 169 P HA -0.044 nan 4.420 nan 0.000 0.262 169 P C 1.026 178.265 177.300 -0.101 0.000 1.199 169 P CA 0.179 63.250 63.100 -0.048 0.000 0.763 169 P CB 0.924 32.617 31.700 -0.011 0.000 0.790 170 V N 3.828 123.661 119.914 -0.136 0.000 2.546 170 V HA -0.272 3.847 4.120 -0.002 0.000 0.254 170 V C 1.659 177.657 176.094 -0.161 0.000 1.076 170 V CA 2.666 64.840 62.300 -0.209 0.000 1.087 170 V CB -0.798 30.905 31.823 -0.200 0.000 0.674 170 V HN 0.639 nan 8.190 nan 0.000 0.470 171 D N -0.768 119.612 120.400 -0.033 0.000 2.183 171 D HA -0.176 4.463 4.640 -0.002 0.000 0.203 171 D C 2.037 178.365 176.300 0.046 0.000 0.969 171 D CA 1.321 55.371 54.000 0.083 0.000 0.842 171 D CB -0.548 40.294 40.800 0.069 0.000 0.957 171 D HN 0.502 nan 8.370 nan 0.000 0.484 172 L N 0.428 121.631 121.223 -0.033 0.000 2.017 172 L HA -0.068 4.271 4.340 -0.002 0.000 0.208 172 L C -0.276 176.546 176.870 -0.079 0.000 1.073 172 L CA 1.307 56.124 54.840 -0.040 0.000 0.745 172 L CB -1.821 40.205 42.059 -0.056 0.000 0.894 172 L HN 0.067 nan 8.230 nan 0.000 0.432 173 P HA -0.188 nan 4.420 nan 0.000 0.223 173 P C 0.991 178.175 177.300 -0.194 0.000 1.144 173 P CA 1.218 64.160 63.100 -0.263 0.000 0.783 173 P CB -0.059 31.379 31.700 -0.436 0.000 0.771 174 W N -0.352 120.901 121.300 -0.078 0.000 3.290 174 W HA 0.231 4.890 4.660 -0.002 0.000 0.287 174 W C 0.558 177.046 176.519 -0.052 0.000 1.288 174 W CA 0.089 57.394 57.345 -0.067 0.000 1.725 174 W CB -0.659 28.762 29.460 -0.066 0.000 1.103 174 W HN 0.124 nan 8.180 nan 0.000 0.670 175 Q N 0.540 120.419 119.800 0.133 0.000 2.259 175 Q HA 0.168 4.507 4.340 -0.002 0.000 0.246 175 Q C 0.176 176.206 176.000 0.051 0.000 0.920 175 Q CA -0.014 55.836 55.803 0.078 0.000 0.895 175 Q CB 1.151 29.919 28.738 0.049 0.000 1.220 175 Q HN -0.053 nan 8.270 nan 0.000 0.439 176 Q N 2.414 122.241 119.800 0.045 0.000 2.296 176 Q HA 0.364 4.703 4.340 -0.002 0.000 0.257 176 Q C -0.561 175.463 176.000 0.038 0.000 0.942 176 Q CA -0.274 55.552 55.803 0.039 0.000 0.939 176 Q CB 0.794 29.555 28.738 0.037 0.000 1.198 176 Q HN 0.518 nan 8.270 nan 0.000 0.429 177 I N -0.189 120.406 120.570 0.041 0.000 2.648 177 I HA 0.613 4.782 4.170 -0.002 0.000 0.304 177 I C -2.492 173.678 176.117 0.089 0.000 1.009 177 I CA -3.141 58.194 61.300 0.060 0.000 1.114 177 I CB 1.750 39.783 38.000 0.056 0.000 1.293 177 I HN 0.314 nan 8.210 nan 0.000 0.449 178 P HA 0.026 nan 4.420 nan 0.000 0.267 178 P C 0.458 177.869 177.300 0.186 0.000 1.209 178 P CA 0.034 63.202 63.100 0.112 0.000 0.763 178 P CB 1.374 33.125 31.700 0.085 0.000 0.816 179 A N 5.118 128.049 122.820 0.186 0.000 1.978 179 A HA -0.212 4.107 4.320 -0.002 0.000 0.220 179 A C 1.935 179.606 177.584 0.145 0.000 1.170 179 A CA 1.513 53.712 52.037 0.270 0.000 0.636 179 A CB -0.904 18.208 19.000 0.186 0.000 0.810 179 A HN 0.647 nan 8.150 nan 0.000 0.448 180 E N -0.002 120.238 120.200 0.067 0.000 2.204 180 E HA -0.209 4.140 4.350 -0.002 0.000 0.194 180 E C 0.574 177.161 176.600 -0.022 0.000 0.989 180 E CA 1.393 57.784 56.400 -0.015 0.000 0.824 180 E CB -0.513 29.189 29.700 0.003 0.000 0.756 180 E HN 0.513 nan 8.360 nan 0.000 0.477 181 D N 0.551 120.997 120.400 0.077 0.000 2.234 181 D HA -0.026 4.613 4.640 -0.002 0.000 0.205 181 D C 0.732 177.140 176.300 0.181 0.000 0.962 181 D CA 0.526 54.597 54.000 0.119 0.000 0.855 181 D CB -0.126 40.763 40.800 0.150 0.000 0.951 181 D HN 0.411 nan 8.370 nan 0.000 0.500 182 W N 1.187 122.550 121.300 0.106 0.000 2.415 182 W HA 0.498 5.157 4.660 -0.002 0.000 0.355 182 W C -0.676 175.962 176.519 0.197 0.000 1.161 182 W CA -0.986 56.423 57.345 0.107 0.000 1.315 182 W CB -0.048 29.437 29.460 0.041 0.000 1.261 182 W HN -0.088 nan 8.180 nan 0.000 0.636 183 Y N -0.969 119.383 120.300 0.087 0.000 2.677 183 Y HA 0.725 5.274 4.550 -0.002 0.000 0.334 183 Y C -1.654 174.386 175.900 0.233 0.000 1.196 183 Y CA -1.834 56.184 58.100 -0.137 0.000 1.059 183 Y CB 0.457 38.831 38.460 -0.144 0.000 1.315 183 Y HN 0.757 nan 8.280 nan 0.000 0.455 184 A N 0.785 123.712 122.820 0.177 0.000 2.337 184 A HA 0.577 4.896 4.320 -0.002 0.000 0.329 184 A C 0.216 177.883 177.584 0.138 0.000 1.146 184 A CA -0.357 51.761 52.037 0.135 0.000 0.800 184 A CB 0.805 19.900 19.000 0.158 0.000 1.220 184 A HN 1.263 nan 8.150 nan 0.000 0.472 185 S N 1.339 117.127 115.700 0.148 0.000 2.710 185 S HA 0.258 4.727 4.470 -0.002 0.000 0.224 185 S C 1.355 175.836 174.600 -0.200 0.000 0.948 185 S CA 0.444 58.740 58.200 0.160 0.000 0.949 185 S CB -0.075 63.306 63.200 0.302 0.000 0.778 185 S HN 1.216 nan 8.310 nan 0.000 0.498 186 A N 3.888 126.254 122.820 -0.757 0.000 1.978 186 A HA -0.219 4.100 4.320 -0.002 0.000 0.220 186 A C 2.252 179.492 177.584 -0.574 0.000 1.170 186 A CA 1.678 52.854 52.037 -1.434 0.000 0.636 186 A CB -0.810 17.271 19.000 -1.531 0.000 0.810 186 A HN 0.795 nan 8.150 nan 0.000 0.448 187 N N 0.201 118.719 118.700 -0.304 0.000 2.309 187 N HA -0.088 4.651 4.740 -0.002 0.000 0.182 187 N C 1.118 176.578 175.510 -0.084 0.000 1.018 187 N CA 1.755 54.714 53.050 -0.151 0.000 0.876 187 N CB -0.649 37.775 38.487 -0.105 0.000 0.972 187 N HN 0.338 nan 8.380 nan 0.000 0.434 188 S N -0.762 114.906 115.700 -0.054 0.000 2.575 188 S HA 0.015 4.484 4.470 -0.002 0.000 0.215 188 S C 0.173 174.786 174.600 0.022 0.000 0.966 188 S CA -0.689 57.507 58.200 -0.008 0.000 0.911 188 S CB -0.511 62.704 63.200 0.025 0.000 0.780 188 S HN 0.460 nan 8.310 nan 0.000 0.514 189 Y N 4.071 124.321 120.300 -0.084 0.000 2.811 189 Y HA 0.139 4.688 4.550 -0.002 0.000 0.334 189 Y C 0.177 176.052 175.900 -0.042 0.000 1.247 189 Y CA 0.243 58.329 58.100 -0.024 0.000 1.526 189 Y CB 0.234 38.673 38.460 -0.035 0.000 1.284 189 Y HN 0.081 nan 8.280 nan 0.000 0.586 190 Q N 3.230 122.568 119.800 -0.770 0.000 2.456 190 Q HA 0.326 4.665 4.340 -0.002 0.000 0.284 190 Q C -0.657 174.891 176.000 -0.754 0.000 1.061 190 Q CA -0.730 54.651 55.803 -0.704 0.000 0.799 190 Q CB 1.862 30.418 28.738 -0.302 0.000 1.445 190 Q HN 0.794 nan 8.270 nan 0.000 0.411 191 T N -1.495 112.762 114.554 -0.495 0.000 2.899 191 T HA 0.626 4.975 4.350 -0.002 0.000 0.284 191 T C -2.075 172.542 174.700 -0.139 0.000 1.004 191 T CA -1.371 60.577 62.100 -0.253 0.000 1.043 191 T CB 0.062 68.845 68.868 -0.143 0.000 1.013 191 T HN 0.193 nan 8.240 nan 0.000 0.518 192 P HA 0.199 nan 4.420 nan 0.000 0.268 192 P C -0.389 176.889 177.300 -0.036 0.000 1.208 192 P CA -0.421 62.658 63.100 -0.035 0.000 0.777 192 P CB 0.276 31.974 31.700 -0.002 0.000 0.875 193 L N 2.110 123.316 121.223 -0.028 0.000 2.416 193 L HA 0.123 4.462 4.340 -0.002 0.000 0.272 193 L C 0.339 177.199 176.870 -0.016 0.000 1.161 193 L CA -0.154 54.671 54.840 -0.025 0.000 0.845 193 L CB -0.163 41.884 42.059 -0.020 0.000 1.119 193 L HN 0.209 nan 8.230 nan 0.000 0.464 194 L N 5.855 127.068 121.223 -0.016 0.000 2.265 194 L HA 0.357 4.696 4.340 -0.002 0.000 0.288 194 L C -1.782 175.082 176.870 -0.009 0.000 1.058 194 L CA -1.880 52.953 54.840 -0.011 0.000 0.809 194 L CB 0.789 42.841 42.059 -0.012 0.000 1.179 194 L HN 0.416 nan 8.230 nan 0.000 0.429 195 P HA 0.113 nan 4.420 nan 0.000 0.271 195 P C -0.791 176.506 177.300 -0.005 0.000 1.218 195 P CA -0.384 62.714 63.100 -0.004 0.000 0.780 195 P CB 0.994 32.694 31.700 0.000 0.000 0.901 196 E N 2.901 123.098 120.200 -0.005 0.000 2.313 196 E HA 0.273 4.622 4.350 -0.002 0.000 0.272 196 E C -1.909 174.688 176.600 -0.005 0.000 1.038 196 E CA -1.698 54.698 56.400 -0.006 0.000 0.863 196 E CB 0.341 30.037 29.700 -0.007 0.000 1.060 196 E HN 0.423 nan 8.360 nan 0.000 0.402 197 P HA 0.085 nan 4.420 nan 0.000 0.280 197 P C -0.566 176.730 177.300 -0.005 0.000 1.244 197 P CA -0.333 62.764 63.100 -0.005 0.000 0.784 197 P CB 0.658 32.353 31.700 -0.007 0.000 0.913 198 D N 2.253 122.651 120.400 -0.004 0.000 2.343 198 D HA 0.024 4.663 4.640 -0.002 0.000 0.255 198 D C 1.451 177.747 176.300 -0.007 0.000 1.187 198 D CA -0.506 53.492 54.000 -0.004 0.000 0.875 198 D CB 0.825 41.624 40.800 -0.002 0.000 1.136 198 D HN 0.114 nan 8.370 nan 0.000 0.469 199 V N 2.378 122.287 119.914 -0.008 0.000 2.380 199 V HA -0.272 3.847 4.120 -0.002 0.000 0.251 199 V C 1.914 178.001 176.094 -0.011 0.000 1.063 199 V CA 1.308 63.602 62.300 -0.010 0.000 1.055 199 V CB -0.778 31.039 31.823 -0.010 0.000 0.657 199 V HN 0.531 nan 8.190 nan 0.000 0.455 200 Q N 0.808 120.602 119.800 -0.009 0.000 2.084 200 Q HA -0.073 4.266 4.340 -0.002 0.000 0.202 200 Q C 2.515 178.508 176.000 -0.012 0.000 0.978 200 Q CA 2.195 57.992 55.803 -0.010 0.000 0.844 200 Q CB -0.659 28.074 28.738 -0.008 0.000 0.898 200 Q HN 0.774 nan 8.270 nan 0.000 0.426 201 A N 0.206 123.020 122.820 -0.009 0.000 1.930 201 A HA -0.087 4.232 4.320 -0.002 0.000 0.217 201 A C 2.426 180.002 177.584 -0.013 0.000 1.175 201 A CA 1.188 53.220 52.037 -0.009 0.000 0.627 201 A CB -0.495 18.503 19.000 -0.004 0.000 0.815 201 A HN 0.196 nan 8.150 nan 0.000 0.443 202 V N -0.234 119.673 119.914 -0.013 0.000 2.307 202 V HA -0.212 3.907 4.120 -0.002 0.000 0.245 202 V C 2.758 178.840 176.094 -0.020 0.000 1.045 202 V CA 2.458 64.749 62.300 -0.015 0.000 1.024 202 V CB -1.170 30.645 31.823 -0.014 0.000 0.651 202 V HN 0.606 nan 8.190 nan 0.000 0.449 203 T N -0.259 114.283 114.554 -0.019 0.000 2.684 203 T HA -0.237 4.112 4.350 -0.002 0.000 0.267 203 T C 2.060 176.742 174.700 -0.030 0.000 1.036 203 T CA 1.701 63.787 62.100 -0.023 0.000 1.148 203 T CB -0.264 68.593 68.868 -0.020 0.000 0.863 203 T HN 0.406 nan 8.240 nan 0.000 0.436 204 R N 0.397 120.879 120.500 -0.031 0.000 2.091 204 R HA 0.024 4.364 4.340 -0.002 0.000 0.238 204 R C 2.511 178.778 176.300 -0.055 0.000 1.136 204 R CA 1.129 57.203 56.100 -0.043 0.000 0.959 204 R CB -0.615 29.663 30.300 -0.037 0.000 0.856 204 R HN 0.328 nan 8.270 nan 0.000 0.437 205 L N 0.443 121.640 121.223 -0.043 0.000 1.994 205 L HA -0.199 4.140 4.340 -0.002 0.000 0.208 205 L C 1.886 178.729 176.870 -0.044 0.000 1.071 205 L CA 1.745 56.559 54.840 -0.044 0.000 0.745 205 L CB -0.421 41.622 42.059 -0.028 0.000 0.892 205 L HN 0.217 nan 8.230 nan 0.000 0.431 206 T N -0.508 114.026 114.554 -0.034 0.000 2.720 206 T HA -0.208 4.141 4.350 -0.002 0.000 0.268 206 T C 1.858 176.535 174.700 -0.038 0.000 1.037 206 T CA 1.355 63.437 62.100 -0.030 0.000 1.144 206 T CB -0.185 68.668 68.868 -0.025 0.000 0.864 206 T HN 0.368 nan 8.240 nan 0.000 0.444 207 Q N 0.824 120.595 119.800 -0.048 0.000 2.084 207 Q HA -0.044 4.295 4.340 -0.002 0.000 0.202 207 Q C 2.629 178.583 176.000 -0.077 0.000 0.978 207 Q CA 1.462 57.232 55.803 -0.055 0.000 0.844 207 Q CB -1.224 27.480 28.738 -0.058 0.000 0.898 207 Q HN 0.516 nan 8.270 nan 0.000 0.426 208 T N 1.655 116.142 114.554 -0.111 0.000 2.867 208 T HA -0.098 4.251 4.350 -0.002 0.000 0.268 208 T C 1.866 176.512 174.700 -0.091 0.000 1.057 208 T CA 0.791 62.789 62.100 -0.169 0.000 1.136 208 T CB -0.221 68.498 68.868 -0.249 0.000 0.874 208 T HN 0.091 nan 8.240 nan 0.000 0.466 209 L N 0.828 122.021 121.223 -0.050 0.000 2.056 209 L HA 0.121 4.460 4.340 -0.002 0.000 0.207 209 L C 2.058 178.926 176.870 -0.004 0.000 1.078 209 L CA 1.530 56.364 54.840 -0.011 0.000 0.749 209 L CB -0.501 41.556 42.059 -0.003 0.000 0.901 209 L HN 0.229 nan 8.230 nan 0.000 0.433 210 L N -0.789 120.424 121.223 -0.017 0.000 2.217 210 L HA -0.047 4.292 4.340 -0.002 0.000 0.211 210 L C 2.369 179.233 176.870 -0.011 0.000 1.107 210 L CA 0.817 55.650 54.840 -0.013 0.000 0.783 210 L CB -0.749 41.298 42.059 -0.019 0.000 0.919 210 L HN 0.318 nan 8.230 nan 0.000 0.442 211 A N 0.182 122.990 122.820 -0.020 0.000 2.235 211 A HA 0.323 4.642 4.320 -0.002 0.000 0.208 211 A C 1.246 178.835 177.584 0.009 0.000 1.172 211 A CA 0.417 52.448 52.037 -0.010 0.000 0.786 211 A CB -0.459 18.525 19.000 -0.026 0.000 0.804 211 A HN 0.262 nan 8.150 nan 0.000 0.479 212 A N 0.054 122.880 122.820 0.010 0.000 2.401 212 A HA 0.432 4.751 4.320 -0.002 0.000 0.259 212 A C 0.761 178.325 177.584 -0.033 0.000 1.103 212 A CA -0.145 51.897 52.037 0.007 0.000 0.789 212 A CB 0.225 19.233 19.000 0.013 0.000 1.035 212 A HN 0.514 nan 8.150 nan 0.000 0.491 213 E N 1.299 121.451 120.200 -0.079 0.000 2.122 213 E HA -0.031 4.318 4.350 -0.002 0.000 0.190 213 E C 0.128 176.548 176.600 -0.300 0.000 0.977 213 E CA 0.710 57.038 56.400 -0.119 0.000 0.820 213 E CB 0.129 29.767 29.700 -0.105 0.000 0.770 213 E HN 0.658 nan 8.360 nan 0.000 0.462 214 R N 1.530 121.704 120.500 -0.543 0.000 2.651 214 R HA 0.248 4.587 4.340 -0.002 0.000 0.282 214 R C -2.588 173.279 176.300 -0.720 0.000 1.565 214 R CA -1.437 53.838 56.100 -1.374 0.000 1.661 214 R CB 1.240 30.585 30.300 -1.591 0.000 1.189 214 R HN 0.079 nan 8.270 nan 0.000 0.621 215 P HA 0.307 nan 4.420 nan 0.000 0.281 215 P C -0.581 176.916 177.300 0.328 0.000 1.249 215 P CA -0.329 62.830 63.100 0.098 0.000 0.810 215 P CB 1.732 33.501 31.700 0.115 0.000 1.008 216 L N 2.011 123.390 121.223 0.260 0.000 2.409 216 L HA 0.557 4.896 4.340 -0.002 0.000 0.262 216 L C -0.050 176.970 176.870 0.250 0.000 0.992 216 L CA -1.020 53.992 54.840 0.287 0.000 0.817 216 L CB 2.355 44.567 42.059 0.254 0.000 1.350 216 L HN 0.252 nan 8.230 nan 0.000 0.411 217 I N 2.057 122.793 120.570 0.276 0.000 2.406 217 I HA 0.313 4.482 4.170 -0.002 0.000 0.290 217 I C -1.479 174.883 176.117 0.408 0.000 0.999 217 I CA -0.643 60.838 61.300 0.301 0.000 1.124 217 I CB 1.783 39.949 38.000 0.277 0.000 1.289 217 I HN 0.384 nan 8.210 nan 0.000 0.441 218 Y N 9.105 129.536 120.300 0.218 0.000 2.363 218 Y HA 0.448 4.997 4.550 -0.002 0.000 0.325 218 Y C -1.302 174.632 175.900 0.056 0.000 0.984 218 Y CA -1.669 56.509 58.100 0.130 0.000 1.248 218 Y CB 0.746 39.340 38.460 0.224 0.000 1.116 218 Y HN 0.451 nan 8.280 nan 0.000 0.470 219 Y N 3.060 123.447 120.300 0.145 0.000 2.549 219 Y HA 0.999 5.548 4.550 -0.002 0.000 0.339 219 Y C -0.009 175.842 175.900 -0.081 0.000 1.053 219 Y CA -1.371 56.699 58.100 -0.050 0.000 1.105 219 Y CB 1.324 39.797 38.460 0.021 0.000 1.258 219 Y HN 0.643 nan 8.280 nan 0.000 0.478 220 G N 0.649 109.430 108.800 -0.032 0.000 3.108 220 G HA2 0.405 4.364 3.960 -0.002 0.000 0.268 220 G HA3 0.405 4.364 3.960 -0.002 0.000 0.268 220 G C 0.238 175.189 174.900 0.084 0.000 1.361 220 G CA -0.766 44.314 45.100 -0.033 0.000 1.047 220 G HN 1.150 nan 8.290 nan 0.000 0.540 221 I N -1.554 119.056 120.570 0.067 0.000 3.010 221 I HA 0.096 4.265 4.170 -0.002 0.000 0.271 221 I C 1.910 178.067 176.117 0.067 0.000 1.293 221 I CA 1.088 62.434 61.300 0.077 0.000 1.452 221 I CB -0.199 37.838 38.000 0.061 0.000 1.082 221 I HN 0.402 nan 8.210 nan 0.000 0.484 222 G N 1.257 110.084 108.800 0.046 0.000 2.471 222 G HA2 -0.031 3.928 3.960 -0.002 0.000 0.219 222 G HA3 -0.031 3.928 3.960 -0.002 0.000 0.219 222 G C 1.391 176.305 174.900 0.024 0.000 1.125 222 G CA 0.496 45.612 45.100 0.026 0.000 0.775 222 G HN 0.610 nan 8.290 nan 0.000 0.548 223 A N -0.084 122.764 122.820 0.046 0.000 2.411 223 A HA 0.423 4.742 4.320 -0.002 0.000 0.251 223 A C 1.919 179.506 177.584 0.005 0.000 1.317 223 A CA -0.116 51.932 52.037 0.018 0.000 0.904 223 A CB -0.278 18.735 19.000 0.022 0.000 0.993 223 A HN 0.294 nan 8.150 nan 0.000 0.504 224 R N 0.463 120.979 120.500 0.027 0.000 2.103 224 R HA -0.110 4.229 4.340 -0.002 0.000 0.242 224 R C 0.991 177.288 176.300 -0.004 0.000 1.142 224 R CA 1.433 57.546 56.100 0.022 0.000 0.960 224 R CB -0.001 30.319 30.300 0.034 0.000 0.858 224 R HN 0.288 nan 8.270 nan 0.000 0.439 225 K N -0.828 119.567 120.400 -0.009 0.000 2.417 225 K HA 0.105 4.424 4.320 -0.002 0.000 0.196 225 K C 0.431 177.006 176.600 -0.040 0.000 1.023 225 K CA 0.298 56.574 56.287 -0.018 0.000 1.122 225 K CB 1.275 33.770 32.500 -0.008 0.000 0.850 225 K HN 0.109 nan 8.250 nan 0.000 0.521 226 A N 0.279 123.061 122.820 -0.064 0.000 2.594 226 A HA 0.293 4.612 4.320 -0.002 0.000 0.287 226 A C 1.655 179.152 177.584 -0.144 0.000 1.227 226 A CA 0.036 52.018 52.037 -0.092 0.000 0.952 226 A CB 0.047 18.991 19.000 -0.093 0.000 1.161 226 A HN 0.240 nan 8.150 nan 0.000 0.524 227 G N 0.801 109.516 108.800 -0.142 0.000 2.469 227 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.220 227 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.220 227 G C 1.532 176.323 174.900 -0.181 0.000 1.136 227 G CA 1.327 46.315 45.100 -0.187 0.000 0.759 227 G HN 0.554 nan 8.290 nan 0.000 0.562 228 K N 0.075 120.397 120.400 -0.130 0.000 2.026 228 K HA -0.094 4.225 4.320 -0.002 0.000 0.208 228 K C 2.475 179.004 176.600 -0.118 0.000 1.048 228 K CA 1.512 57.731 56.287 -0.113 0.000 0.929 228 K CB -0.047 32.407 32.500 -0.077 0.000 0.713 228 K HN 0.203 nan 8.250 nan 0.000 0.439 229 E N 0.807 120.940 120.200 -0.111 0.000 2.106 229 E HA -0.109 4.240 4.350 -0.002 0.000 0.192 229 E C 1.894 178.422 176.600 -0.120 0.000 0.984 229 E CA 0.823 57.165 56.400 -0.097 0.000 0.806 229 E CB -0.065 29.587 29.700 -0.080 0.000 0.750 229 E HN 0.244 nan 8.360 nan 0.000 0.458 230 L N 0.532 121.648 121.223 -0.178 0.000 1.970 230 L HA -0.225 4.114 4.340 -0.002 0.000 0.212 230 L C 2.585 179.344 176.870 -0.185 0.000 1.071 230 L CA 1.682 56.391 54.840 -0.219 0.000 0.751 230 L CB -0.386 41.414 42.059 -0.432 0.000 0.889 230 L HN 0.192 nan 8.230 nan 0.000 0.432 231 E N -0.368 119.675 120.200 -0.261 0.000 2.085 231 E HA -0.295 4.054 4.350 -0.002 0.000 0.194 231 E C 2.249 178.733 176.600 -0.193 0.000 0.994 231 E CA 1.329 57.510 56.400 -0.364 0.000 0.801 231 E CB 0.015 29.443 29.700 -0.453 0.000 0.743 231 E HN 0.415 nan 8.360 nan 0.000 0.453 232 Q N -0.082 119.641 119.800 -0.128 0.000 2.084 232 Q HA -0.175 4.164 4.340 -0.002 0.000 0.202 232 Q C 2.325 178.302 176.000 -0.039 0.000 0.978 232 Q CA 0.962 56.725 55.803 -0.068 0.000 0.844 232 Q CB 0.037 28.737 28.738 -0.063 0.000 0.898 232 Q HN 0.271 nan 8.270 nan 0.000 0.426 233 L N -0.120 121.080 121.223 -0.038 0.000 2.046 233 L HA -0.191 4.148 4.340 -0.002 0.000 0.208 233 L C 2.514 179.395 176.870 0.018 0.000 1.077 233 L CA 1.623 56.455 54.840 -0.014 0.000 0.747 233 L CB -0.595 41.459 42.059 -0.008 0.000 0.896 233 L HN 0.128 nan 8.230 nan 0.000 0.432 234 S N -0.734 115.006 115.700 0.067 0.000 2.348 234 S HA -0.233 4.236 4.470 -0.002 0.000 0.221 234 S C 2.061 176.735 174.600 0.124 0.000 1.033 234 S CA 1.587 59.900 58.200 0.189 0.000 1.010 234 S CB -0.092 63.314 63.200 0.343 0.000 0.891 234 S HN 0.402 nan 8.310 nan 0.000 0.442 235 K N -0.114 120.367 120.400 0.134 0.000 2.057 235 K HA -0.037 4.282 4.320 -0.002 0.000 0.206 235 K C 2.352 178.883 176.600 -0.115 0.000 1.050 235 K CA 1.712 58.033 56.287 0.057 0.000 0.935 235 K CB -0.625 31.947 32.500 0.121 0.000 0.715 235 K HN 0.348 nan 8.250 nan 0.000 0.439 236 T N 1.975 116.483 114.554 -0.077 0.000 2.701 236 T HA -0.050 4.299 4.350 -0.002 0.000 0.263 236 T C 1.728 176.343 174.700 -0.141 0.000 1.040 236 T CA 1.035 63.079 62.100 -0.095 0.000 1.147 236 T CB -0.076 68.759 68.868 -0.056 0.000 0.865 236 T HN 0.107 nan 8.240 nan 0.000 0.426 237 L N 0.248 121.398 121.223 -0.122 0.000 2.591 237 L HA 0.161 4.500 4.340 -0.002 0.000 0.228 237 L C 0.232 176.982 176.870 -0.199 0.000 1.133 237 L CA 0.077 54.847 54.840 -0.117 0.000 0.880 237 L CB -0.139 41.894 42.059 -0.043 0.000 1.033 237 L HN 0.140 nan 8.230 nan 0.000 0.450 238 K N 1.015 121.162 120.400 -0.422 0.000 3.162 238 K HA -0.130 4.189 4.320 -0.002 0.000 0.268 238 K C -0.594 175.913 176.600 -0.154 0.000 1.062 238 K CA 0.807 56.584 56.287 -0.850 0.000 0.769 238 K CB -2.090 29.911 32.500 -0.831 0.000 1.274 238 K HN 0.330 nan 8.250 nan 0.000 0.478 239 I N 0.844 121.475 120.570 0.102 0.000 2.465 239 I HA 0.289 4.458 4.170 -0.002 0.000 0.291 239 I C -2.142 174.252 176.117 0.460 0.000 1.014 239 I CA -2.431 59.069 61.300 0.333 0.000 1.093 239 I CB 2.208 40.339 38.000 0.218 0.000 1.267 239 I HN -0.157 nan 8.210 nan 0.000 0.431 240 P HA 0.370 nan 4.420 nan 0.000 0.276 240 P C -1.078 176.390 177.300 0.279 0.000 1.252 240 P CA -0.402 62.855 63.100 0.261 0.000 0.802 240 P CB 0.768 32.459 31.700 -0.014 0.000 1.035 241 L N 1.871 123.275 121.223 0.302 0.000 2.334 241 L HA 0.681 5.020 4.340 -0.002 0.000 0.276 241 L C 0.248 177.270 176.870 0.255 0.000 1.014 241 L CA -0.633 54.456 54.840 0.414 0.000 0.815 241 L CB 1.181 43.623 42.059 0.639 0.000 1.268 241 L HN 0.389 nan 8.230 nan 0.000 0.428 242 M N 1.162 120.870 119.600 0.180 0.000 2.520 242 M HA 0.778 5.257 4.480 -0.002 0.000 0.283 242 M C -0.961 175.266 176.300 -0.121 0.000 1.237 242 M CA -0.474 54.769 55.300 -0.096 0.000 0.885 242 M CB 2.440 34.861 32.600 -0.298 0.000 1.727 242 M HN 0.491 nan 8.290 nan 0.000 0.468 243 S N -0.243 115.381 115.700 -0.127 0.000 2.732 243 S HA 0.824 5.293 4.470 -0.002 0.000 0.293 243 S C -0.193 174.476 174.600 0.115 0.000 1.159 243 S CA -0.246 57.814 58.200 -0.234 0.000 0.847 243 S CB 1.573 64.484 63.200 -0.483 0.000 1.169 243 S HN 0.962 nan 8.310 nan 0.000 0.501 244 T N -0.801 113.795 114.554 0.070 0.000 2.868 244 T HA 0.251 4.600 4.350 -0.002 0.000 0.292 244 T C 0.878 175.716 174.700 0.230 0.000 1.028 244 T CA -0.260 61.959 62.100 0.199 0.000 1.059 244 T CB 0.077 69.038 68.868 0.154 0.000 0.991 244 T HN 0.751 nan 8.240 nan 0.000 0.531 245 Y N 3.156 123.578 120.300 0.204 0.000 2.114 245 Y HA 0.009 4.558 4.550 -0.002 0.000 0.282 245 Y C -1.079 174.957 175.900 0.227 0.000 1.165 245 Y CA 1.241 59.458 58.100 0.196 0.000 1.148 245 Y CB -1.921 36.654 38.460 0.192 0.000 0.972 245 Y HN 0.526 nan 8.280 nan 0.000 0.504 246 P HA -0.102 nan 4.420 nan 0.000 0.219 246 P C 1.111 178.370 177.300 -0.068 0.000 1.146 246 P CA 2.201 65.142 63.100 -0.266 0.000 0.808 246 P CB -0.313 31.305 31.700 -0.137 0.000 0.779 247 A N -0.830 122.013 122.820 0.038 0.000 2.238 247 A HA -0.046 4.273 4.320 -0.002 0.000 0.208 247 A C 1.143 178.825 177.584 0.162 0.000 1.177 247 A CA -0.049 52.055 52.037 0.110 0.000 0.804 247 A CB -1.025 18.034 19.000 0.099 0.000 0.823 247 A HN 0.099 nan 8.150 nan 0.000 0.482 248 K N 0.049 120.547 120.400 0.162 0.000 2.484 248 K HA 0.236 4.555 4.320 -0.002 0.000 0.280 248 K C 1.115 177.757 176.600 0.071 0.000 1.013 248 K CA 0.994 57.351 56.287 0.116 0.000 1.029 248 K CB -0.148 32.400 32.500 0.081 0.000 0.902 248 K HN 0.674 nan 8.250 nan 0.000 0.481 249 G N 3.862 112.631 108.800 -0.052 0.000 2.232 249 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.226 249 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.226 249 G C 0.848 175.742 174.900 -0.010 0.000 0.996 249 G CA 0.227 45.310 45.100 -0.029 0.000 0.626 249 G HN 0.650 nan 8.290 nan 0.000 0.509 250 I N 0.500 121.091 120.570 0.034 0.000 2.361 250 I HA 0.003 4.172 4.170 -0.002 0.000 0.251 250 I C 0.889 176.958 176.117 -0.081 0.000 1.133 250 I CA 1.247 62.555 61.300 0.013 0.000 1.413 250 I CB -0.079 37.984 38.000 0.105 0.000 1.073 250 I HN 0.103 nan 8.210 nan 0.000 0.424 251 V N 0.959 120.801 119.914 -0.120 0.000 2.604 251 V HA 0.517 4.636 4.120 -0.002 0.000 0.305 251 V C 0.222 176.191 176.094 -0.208 0.000 1.043 251 V CA -1.227 60.960 62.300 -0.190 0.000 0.888 251 V CB 1.564 33.265 31.823 -0.205 0.000 0.995 251 V HN 0.193 nan 8.190 nan 0.000 0.429 252 A N 2.447 125.192 122.820 -0.124 0.000 2.546 252 A HA 0.101 4.420 4.320 -0.002 0.000 0.243 252 A C 1.156 178.704 177.584 -0.060 0.000 1.063 252 A CA 0.007 52.003 52.037 -0.069 0.000 0.757 252 A CB -0.114 18.880 19.000 -0.009 0.000 0.991 252 A HN 0.924 nan 8.150 nan 0.000 0.503 253 D N 1.755 122.119 120.400 -0.060 0.000 2.221 253 D HA -0.191 4.448 4.640 -0.002 0.000 0.204 253 D C 1.928 178.301 176.300 0.122 0.000 0.982 253 D CA 1.780 55.799 54.000 0.032 0.000 0.857 253 D CB 0.015 40.840 40.800 0.040 0.000 0.934 253 D HN 0.855 nan 8.370 nan 0.000 0.475 254 R N -0.021 120.529 120.500 0.083 0.000 2.316 254 R HA -0.101 4.238 4.340 -0.002 0.000 0.202 254 R C 0.802 177.172 176.300 0.117 0.000 1.029 254 R CA -0.092 56.056 56.100 0.079 0.000 1.018 254 R CB -0.669 29.661 30.300 0.051 0.000 0.888 254 R HN 0.030 nan 8.270 nan 0.000 0.471 255 Y N 3.226 123.553 120.300 0.045 0.000 2.650 255 Y HA 0.118 4.667 4.550 -0.002 0.000 0.331 255 Y C -1.675 174.266 175.900 0.068 0.000 1.165 255 Y CA -2.741 55.395 58.100 0.060 0.000 1.473 255 Y CB 1.046 39.547 38.460 0.069 0.000 1.224 255 Y HN -0.048 nan 8.280 nan 0.000 0.533 256 P HA -0.149 nan 4.420 nan 0.000 0.218 256 P C 0.127 177.081 177.300 -0.577 0.000 1.146 256 P CA 2.323 65.141 63.100 -0.470 0.000 0.813 256 P CB 0.266 31.724 31.700 -0.404 0.000 0.778 257 A N -2.691 119.612 122.820 -0.861 0.000 2.574 257 A HA 0.141 4.460 4.320 -0.002 0.000 0.283 257 A C -0.182 177.324 177.584 -0.130 0.000 1.270 257 A CA -0.305 51.403 52.037 -0.548 0.000 0.945 257 A CB -0.937 17.748 19.000 -0.524 0.000 1.127 257 A HN 0.062 nan 8.150 nan 0.000 0.522 258 Y N 1.164 121.396 120.300 -0.114 0.000 2.452 258 Y HA 0.428 4.978 4.550 -0.001 0.000 0.348 258 Y C 0.672 176.566 175.900 -0.009 0.000 0.985 258 Y CA -1.091 57.077 58.100 0.114 0.000 1.214 258 Y CB 0.384 38.986 38.460 0.236 0.000 1.136 258 Y HN 0.194 nan 8.280 nan 0.000 0.523 259 L N 5.497 126.419 121.223 -0.503 0.000 2.313 259 L HA 0.233 4.572 4.340 -0.002 0.000 0.214 259 L C 1.426 177.900 176.870 -0.660 0.000 1.119 259 L CA 0.732 55.266 54.840 -0.510 0.000 0.809 259 L CB -0.802 41.030 42.059 -0.377 0.000 0.933 259 L HN 0.970 nan 8.230 nan 0.000 0.449 260 G N -0.303 107.847 108.800 -1.082 0.000 2.447 260 G HA2 -0.159 3.800 3.960 -0.002 0.000 0.220 260 G HA3 -0.159 3.800 3.960 -0.002 0.000 0.220 260 G C -0.587 174.105 174.900 -0.346 0.000 1.261 260 G CA -0.338 44.364 45.100 -0.663 0.000 1.000 260 G HN 0.218 nan 8.290 nan 0.000 0.515 261 S N -0.358 115.263 115.700 -0.132 0.000 2.638 261 S HA 0.920 5.389 4.470 -0.002 0.000 0.298 261 S C 0.468 174.997 174.600 -0.119 0.000 1.111 261 S CA 0.379 58.549 58.200 -0.049 0.000 1.027 261 S CB 1.779 65.061 63.200 0.136 0.000 1.064 261 S HN 2.255 nan 8.310 nan 0.000 0.525 262 A N 1.083 123.834 122.820 -0.114 0.000 2.248 262 A HA 0.750 5.069 4.320 -0.002 0.000 0.316 262 A C 0.825 178.397 177.584 -0.020 0.000 1.101 262 A CA -0.286 51.676 52.037 -0.125 0.000 0.875 262 A CB -0.118 18.760 19.000 -0.203 0.000 1.207 262 A HN 1.121 nan 8.150 nan 0.000 0.504 263 N N -1.266 117.390 118.700 -0.073 0.000 1.461 263 N HA -0.226 4.513 4.740 -0.002 0.000 0.168 263 N C 1.223 176.617 175.510 -0.194 0.000 0.819 263 N CA 1.783 54.729 53.050 -0.172 0.000 1.102 263 N CB -0.976 37.273 38.487 -0.398 0.000 1.378 263 N HN 0.770 nan 8.380 nan 0.000 0.466 264 R N 0.553 120.911 120.500 -0.237 0.000 2.142 264 R HA 0.306 4.645 4.340 -0.002 0.000 0.204 264 R C 0.362 176.634 176.300 -0.047 0.000 1.059 264 R CA 0.882 56.904 56.100 -0.129 0.000 1.055 264 R CB 0.209 30.432 30.300 -0.128 0.000 0.976 264 R HN 0.215 nan 8.270 nan 0.000 0.483 265 V N 2.543 122.431 119.914 -0.044 0.000 2.153 265 V HA 0.419 4.538 4.120 -0.002 0.000 0.250 265 V C -0.218 175.850 176.094 -0.043 0.000 1.334 265 V CA -0.021 62.240 62.300 -0.065 0.000 1.249 265 V CB 0.121 31.823 31.823 -0.201 0.000 1.371 265 V HN 0.392 nan 8.190 nan 0.000 0.498 266 A N 3.973 126.770 122.820 -0.038 0.000 2.530 266 A HA 0.875 5.194 4.320 -0.002 0.000 0.288 266 A C -0.906 176.632 177.584 -0.076 0.000 1.172 266 A CA -0.776 51.222 52.037 -0.064 0.000 0.733 266 A CB 1.849 20.778 19.000 -0.117 0.000 1.320 266 A HN 0.496 nan 8.150 nan 0.000 0.419 267 Q N 0.391 120.078 119.800 -0.188 0.000 2.337 267 Q HA 0.281 4.620 4.340 -0.002 0.000 0.270 267 Q C 0.306 175.890 176.000 -0.694 0.000 1.043 267 Q CA -0.708 54.882 55.803 -0.354 0.000 0.794 267 Q CB 2.465 31.082 28.738 -0.202 0.000 1.281 267 Q HN 0.843 nan 8.270 nan 0.000 0.446 268 K N 2.748 122.426 120.400 -1.203 0.000 2.089 268 K HA -0.201 4.118 4.320 -0.002 0.000 0.210 268 K C -1.102 175.090 176.600 -0.681 0.000 1.048 268 K CA 1.904 57.633 56.287 -0.930 0.000 0.926 268 K CB -0.446 31.374 32.500 -1.134 0.000 0.714 268 K HN 0.341 nan 8.250 nan 0.000 0.448 269 P HA -0.117 nan 4.420 nan 0.000 0.217 269 P C 0.909 177.982 177.300 -0.378 0.000 1.150 269 P CA 1.867 64.689 63.100 -0.463 0.000 0.832 269 P CB -0.024 31.413 31.700 -0.438 0.000 0.787 270 A N -0.398 122.180 122.820 -0.402 0.000 1.877 270 A HA -0.231 4.088 4.320 -0.002 0.000 0.216 270 A C 2.193 179.604 177.584 -0.289 0.000 1.186 270 A CA 1.915 53.744 52.037 -0.347 0.000 0.620 270 A CB -1.510 17.270 19.000 -0.366 0.000 0.822 270 A HN 0.112 nan 8.150 nan 0.000 0.443 271 N N -0.022 118.509 118.700 -0.283 0.000 2.058 271 N HA -0.148 4.591 4.740 -0.002 0.000 0.191 271 N C 1.718 177.125 175.510 -0.171 0.000 1.037 271 N CA 1.765 54.683 53.050 -0.219 0.000 0.848 271 N CB -0.463 37.893 38.487 -0.218 0.000 1.021 271 N HN 0.670 nan 8.380 nan 0.000 0.422 272 E N 0.508 120.600 120.200 -0.180 0.000 2.051 272 E HA -0.103 4.247 4.350 -0.002 0.000 0.192 272 E C 1.968 178.542 176.600 -0.044 0.000 0.991 272 E CA 1.179 57.510 56.400 -0.114 0.000 0.799 272 E CB -0.127 29.496 29.700 -0.127 0.000 0.748 272 E HN 0.359 nan 8.360 nan 0.000 0.449 273 A N 1.309 124.088 122.820 -0.068 0.000 1.877 273 A HA -0.183 4.136 4.320 -0.002 0.000 0.216 273 A C 2.189 179.864 177.584 0.152 0.000 1.186 273 A CA 1.132 53.208 52.037 0.065 0.000 0.620 273 A CB -0.634 18.320 19.000 -0.076 0.000 0.822 273 A HN 0.225 nan 8.150 nan 0.000 0.443 274 L N -0.108 121.115 121.223 -0.000 0.000 2.081 274 L HA -0.141 4.198 4.340 -0.002 0.000 0.212 274 L C 2.626 179.509 176.870 0.021 0.000 1.080 274 L CA 2.222 57.057 54.840 -0.009 0.000 0.754 274 L CB -0.734 41.245 42.059 -0.132 0.000 0.893 274 L HN 0.361 nan 8.230 nan 0.000 0.433 275 A N -1.647 121.174 122.820 0.001 0.000 2.067 275 A HA -0.148 4.171 4.320 -0.002 0.000 0.219 275 A C 2.015 179.615 177.584 0.028 0.000 1.158 275 A CA 1.336 53.373 52.037 0.001 0.000 0.661 275 A CB -0.305 18.683 19.000 -0.020 0.000 0.801 275 A HN 0.612 nan 8.150 nan 0.000 0.452 276 Q N -0.469 119.381 119.800 0.083 0.000 2.391 276 Q HA 0.303 4.642 4.340 -0.002 0.000 0.211 276 Q C 0.980 176.924 176.000 -0.094 0.000 0.908 276 Q CA 0.654 56.485 55.803 0.047 0.000 0.920 276 Q CB -0.629 28.224 28.738 0.192 0.000 1.056 276 Q HN 0.559 nan 8.270 nan 0.000 0.523 277 A N 3.014 125.815 122.820 -0.032 0.000 2.531 277 A HA 0.036 4.355 4.320 -0.002 0.000 0.236 277 A C 0.818 178.338 177.584 -0.107 0.000 1.062 277 A CA 0.465 52.426 52.037 -0.127 0.000 0.760 277 A CB 0.168 19.212 19.000 0.073 0.000 0.995 277 A HN 0.284 nan 8.150 nan 0.000 0.501 278 D N 0.693 120.999 120.400 -0.156 0.000 2.388 278 D HA 0.097 4.736 4.640 -0.002 0.000 0.208 278 D C -0.023 176.282 176.300 0.008 0.000 1.035 278 D CA 0.451 54.400 54.000 -0.084 0.000 0.875 278 D CB 0.062 40.798 40.800 -0.107 0.000 0.984 278 D HN 0.196 nan 8.370 nan 0.000 0.508 279 V N 1.036 120.978 119.914 0.046 0.000 2.686 279 V HA 0.388 4.507 4.120 -0.002 0.000 0.306 279 V C -0.773 175.385 176.094 0.108 0.000 1.065 279 V CA -0.933 61.442 62.300 0.125 0.000 0.894 279 V CB 2.660 34.573 31.823 0.149 0.000 1.004 279 V HN -0.072 nan 8.190 nan 0.000 0.424 280 V N 5.433 125.405 119.914 0.097 0.000 2.487 280 V HA 0.490 4.609 4.120 -0.002 0.000 0.298 280 V C -0.619 175.439 176.094 -0.059 0.000 1.028 280 V CA -0.660 61.692 62.300 0.087 0.000 0.860 280 V CB 1.910 33.835 31.823 0.169 0.000 0.991 280 V HN 0.686 nan 8.190 nan 0.000 0.427 281 L N 5.687 126.930 121.223 0.032 0.000 2.257 281 L HA 0.556 4.896 4.340 -0.002 0.000 0.290 281 L C -0.971 175.940 176.870 0.069 0.000 1.044 281 L CA 0.144 54.980 54.840 -0.006 0.000 0.810 281 L CB 0.660 42.749 42.059 0.050 0.000 1.193 281 L HN 0.536 nan 8.230 nan 0.000 0.425 282 F N 6.147 125.924 119.950 -0.288 0.000 2.334 282 F HA 0.544 5.070 4.527 -0.001 0.000 0.367 282 F C -0.664 175.069 175.800 -0.112 0.000 1.115 282 F CA -0.598 57.260 58.000 -0.237 0.000 1.116 282 F CB 1.040 39.722 39.000 -0.529 0.000 1.230 282 F HN 0.204 nan 8.300 nan 0.000 0.484 283 V N 5.051 124.874 119.914 -0.153 0.000 2.357 283 V HA 0.475 4.594 4.120 -0.002 0.000 0.284 283 V C 0.615 176.615 176.094 -0.156 0.000 1.018 283 V CA -0.676 61.571 62.300 -0.089 0.000 0.841 283 V CB 0.893 32.727 31.823 0.019 0.000 0.991 283 V HN 0.981 nan 8.190 nan 0.000 0.437 284 G N 3.574 112.297 108.800 -0.127 0.000 2.412 284 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.297 284 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.297 284 G C 0.006 174.805 174.900 -0.168 0.000 0.965 284 G CA 0.680 45.720 45.100 -0.099 0.000 1.134 284 G HN 0.747 nan 8.290 nan 0.000 0.511 285 N N -0.250 118.241 118.700 -0.348 0.000 2.295 285 N HA 0.413 5.152 4.740 -0.002 0.000 0.293 285 N C -0.620 174.733 175.510 -0.261 0.000 1.040 285 N CA -0.938 51.810 53.050 -0.504 0.000 0.840 285 N CB 1.628 39.367 38.487 -1.246 0.000 1.468 285 N HN 0.100 nan 8.380 nan 0.000 0.478 286 N N 2.716 121.415 118.700 -0.001 0.000 2.610 286 N HA 0.071 4.810 4.740 -0.002 0.000 0.307 286 N C -1.406 174.269 175.510 0.275 0.000 1.813 286 N CA -0.416 52.745 53.050 0.185 0.000 0.901 286 N CB -0.263 38.307 38.487 0.138 0.000 1.354 286 N HN 0.448 nan 8.380 nan 0.000 0.491 287 Y N 2.281 122.711 120.300 0.217 0.000 2.846 287 Y HA 0.049 4.598 4.550 -0.002 0.000 0.352 287 Y C -1.227 174.816 175.900 0.238 0.000 1.298 287 Y CA -1.095 57.173 58.100 0.281 0.000 1.634 287 Y CB 0.742 39.445 38.460 0.405 0.000 1.214 287 Y HN 0.330 nan 8.280 nan 0.000 0.529 288 P HA -0.144 nan 4.420 nan 0.000 0.230 288 P C 0.634 177.590 177.300 -0.574 0.000 1.158 288 P CA 1.281 64.156 63.100 -0.374 0.000 0.769 288 P CB -0.026 31.391 31.700 -0.471 0.000 0.807 289 F N -0.092 119.474 119.950 -0.640 0.000 2.765 289 F HA 0.314 4.840 4.527 -0.002 0.000 0.302 289 F C 2.468 178.056 175.800 -0.353 0.000 1.111 289 F CA 0.109 57.777 58.000 -0.554 0.000 1.359 289 F CB -0.982 37.601 39.000 -0.696 0.000 1.097 289 F HN -0.076 nan 8.300 nan 0.000 0.577 290 A N 0.904 123.701 122.820 -0.037 0.000 1.859 290 A HA -0.275 4.044 4.320 -0.002 0.000 0.218 290 A C 2.086 179.732 177.584 0.103 0.000 1.209 290 A CA 2.397 54.556 52.037 0.204 0.000 0.639 290 A CB -0.768 18.537 19.000 0.509 0.000 0.835 290 A HN 0.365 nan 8.150 nan 0.000 0.450 291 E N -0.367 119.895 120.200 0.103 0.000 2.047 291 E HA -0.088 4.261 4.350 -0.002 0.000 0.191 291 E C 2.043 178.669 176.600 0.042 0.000 0.987 291 E CA 1.508 57.953 56.400 0.074 0.000 0.799 291 E CB -0.535 29.199 29.700 0.057 0.000 0.752 291 E HN 0.632 nan 8.360 nan 0.000 0.449 292 V N -0.298 119.636 119.914 0.033 0.000 2.626 292 V HA -0.149 3.970 4.120 -0.002 0.000 0.252 292 V C 1.949 178.068 176.094 0.042 0.000 1.067 292 V CA 1.717 64.039 62.300 0.035 0.000 1.081 292 V CB -0.657 31.189 31.823 0.038 0.000 0.686 292 V HN 0.286 nan 8.190 nan 0.000 0.468 293 S N -0.954 114.776 115.700 0.049 0.000 2.575 293 S HA 0.191 4.660 4.470 -0.002 0.000 0.215 293 S C 0.858 175.452 174.600 -0.010 0.000 0.966 293 S CA 0.047 58.260 58.200 0.023 0.000 0.911 293 S CB -0.546 62.672 63.200 0.031 0.000 0.780 293 S HN 0.705 nan 8.310 nan 0.000 0.514 294 K N 0.562 120.959 120.400 -0.005 0.000 3.077 294 K HA -0.244 4.075 4.320 -0.002 0.000 0.264 294 K C 1.204 177.760 176.600 -0.073 0.000 1.008 294 K CA 0.390 56.671 56.287 -0.012 0.000 0.740 294 K CB -2.242 30.256 32.500 -0.002 0.000 1.273 294 K HN 0.559 nan 8.250 nan 0.000 0.477 295 A N 0.496 123.213 122.820 -0.172 0.000 1.892 295 A HA -0.145 4.174 4.320 -0.002 0.000 0.218 295 A C 1.329 178.645 177.584 -0.447 0.000 1.188 295 A CA 1.621 53.431 52.037 -0.379 0.000 0.631 295 A CB -0.352 18.263 19.000 -0.641 0.000 0.822 295 A HN 0.370 nan 8.150 nan 0.000 0.447 296 F N 0.561 120.485 119.950 -0.043 0.000 2.660 296 F HA 0.163 4.688 4.527 -0.002 0.000 0.297 296 F C 1.800 177.499 175.800 -0.169 0.000 1.132 296 F CA 0.270 58.151 58.000 -0.198 0.000 1.372 296 F CB -0.208 38.437 39.000 -0.591 0.000 1.003 296 F HN 0.382 nan 8.300 nan 0.000 0.524 297 K N -0.577 119.843 120.400 0.033 0.000 2.281 297 K HA -0.160 4.159 4.320 -0.002 0.000 0.203 297 K C 0.668 177.289 176.600 0.035 0.000 1.046 297 K CA 1.667 57.983 56.287 0.049 0.000 0.938 297 K CB -0.183 32.328 32.500 0.019 0.000 0.737 297 K HN 0.134 nan 8.250 nan 0.000 0.458 298 N N 0.414 119.126 118.700 0.020 0.000 2.220 298 N HA 0.016 4.755 4.740 -0.002 0.000 0.195 298 N C -0.559 174.951 175.510 0.001 0.000 1.123 298 N CA 0.247 53.299 53.050 0.004 0.000 0.874 298 N CB 0.830 39.313 38.487 -0.007 0.000 0.995 298 N HN 0.084 nan 8.380 nan 0.000 0.498 299 T N 1.050 115.618 114.554 0.024 0.000 2.769 299 T HA 0.081 4.430 4.350 -0.002 0.000 0.293 299 T C 1.437 176.132 174.700 -0.009 0.000 0.931 299 T CA -0.091 62.028 62.100 0.032 0.000 1.139 299 T CB 1.661 70.581 68.868 0.086 0.000 0.881 299 T HN 0.128 nan 8.240 nan 0.000 0.532 300 R N 2.484 122.927 120.500 -0.096 0.000 2.090 300 R HA -0.012 4.328 4.340 -0.002 0.000 0.228 300 R C -0.440 175.595 176.300 -0.442 0.000 1.110 300 R CA 1.181 57.099 56.100 -0.303 0.000 0.973 300 R CB 0.206 30.253 30.300 -0.422 0.000 0.869 300 R HN 0.589 nan 8.270 nan 0.000 0.440 301 Y N -1.363 118.992 120.300 0.091 0.000 2.442 301 Y HA 0.343 4.892 4.550 -0.001 0.000 0.344 301 Y C -1.206 174.783 175.900 0.148 0.000 0.976 301 Y CA -1.315 56.850 58.100 0.109 0.000 1.040 301 Y CB 1.612 40.105 38.460 0.055 0.000 1.228 301 Y HN -0.116 nan 8.280 nan 0.000 0.451 302 F N 4.673 124.720 119.950 0.162 0.000 2.477 302 F HA 0.717 5.243 4.527 -0.002 0.000 0.335 302 F C -1.567 174.270 175.800 0.062 0.000 1.130 302 F CA -1.049 56.971 58.000 0.034 0.000 0.948 302 F CB 0.780 39.784 39.000 0.006 0.000 1.154 302 F HN 0.330 nan 8.300 nan 0.000 0.439 303 L N 5.934 126.964 121.223 -0.322 0.000 2.322 303 L HA 0.552 4.891 4.340 -0.002 0.000 0.281 303 L C -0.700 176.018 176.870 -0.252 0.000 1.014 303 L CA -0.717 54.023 54.840 -0.167 0.000 0.815 303 L CB 1.867 43.874 42.059 -0.087 0.000 1.247 303 L HN 0.588 nan 8.230 nan 0.000 0.421 304 Q N 3.118 122.870 119.800 -0.080 0.000 2.365 304 Q HA 0.691 5.030 4.340 -0.002 0.000 0.269 304 Q C -1.532 174.489 176.000 0.035 0.000 1.061 304 Q CA -0.659 55.150 55.803 0.011 0.000 0.816 304 Q CB 2.833 31.665 28.738 0.156 0.000 1.325 304 Q HN 0.602 nan 8.270 nan 0.000 0.446 305 I N 2.708 123.299 120.570 0.034 0.000 2.466 305 I HA 0.468 4.637 4.170 -0.002 0.000 0.289 305 I C -1.019 175.109 176.117 0.020 0.000 1.026 305 I CA -0.525 60.786 61.300 0.019 0.000 1.078 305 I CB 1.927 39.927 38.000 0.001 0.000 1.249 305 I HN 0.554 nan 8.210 nan 0.000 0.429 306 D N 4.338 124.753 120.400 0.025 0.000 2.717 306 D HA 0.230 4.869 4.640 -0.002 0.000 0.223 306 D C 0.008 176.317 176.300 0.015 0.000 1.240 306 D CA -0.470 53.542 54.000 0.019 0.000 0.801 306 D CB 2.955 43.781 40.800 0.042 0.000 1.556 306 D HN 0.415 nan 8.370 nan 0.000 0.462 307 I N 1.402 121.975 120.570 0.005 0.000 2.761 307 I HA -0.037 4.132 4.170 -0.002 0.000 0.261 307 I C 0.245 176.366 176.117 0.006 0.000 1.198 307 I CA 0.796 62.098 61.300 0.003 0.000 1.482 307 I CB 0.184 38.182 38.000 -0.004 0.000 1.100 307 I HN 0.226 nan 8.210 nan 0.000 0.445 308 D N 0.237 120.642 120.400 0.008 0.000 2.303 308 D HA 0.220 4.859 4.640 -0.002 0.000 0.236 308 D C -1.672 174.643 176.300 0.025 0.000 1.068 308 D CA -2.635 51.372 54.000 0.011 0.000 0.830 308 D CB 1.686 42.485 40.800 -0.001 0.000 1.109 308 D HN -0.025 nan 8.370 nan 0.000 0.496 309 P HA -0.096 nan 4.420 nan 0.000 0.220 309 P C 0.872 178.193 177.300 0.035 0.000 1.148 309 P CA 0.579 63.697 63.100 0.030 0.000 0.803 309 P CB 0.212 31.926 31.700 0.024 0.000 0.782 310 A N 0.069 122.908 122.820 0.032 0.000 2.216 310 A HA -0.072 4.247 4.320 -0.002 0.000 0.214 310 A C 1.985 179.599 177.584 0.051 0.000 1.160 310 A CA 1.094 53.151 52.037 0.035 0.000 0.725 310 A CB -0.599 18.417 19.000 0.027 0.000 0.784 310 A HN 0.061 nan 8.150 nan 0.000 0.472 311 K N -0.563 119.875 120.400 0.062 0.000 2.354 311 K HA 0.283 4.602 4.320 -0.002 0.000 0.194 311 K C -0.008 176.665 176.600 0.121 0.000 1.038 311 K CA 0.035 56.380 56.287 0.096 0.000 1.052 311 K CB 0.073 32.632 32.500 0.099 0.000 0.861 311 K HN 0.426 nan 8.250 nan 0.000 0.535 312 L N 1.350 122.630 121.223 0.095 0.000 2.369 312 L HA 0.163 4.502 4.340 -0.002 0.000 0.279 312 L C 1.019 177.947 176.870 0.096 0.000 1.108 312 L CA 0.209 55.112 54.840 0.106 0.000 0.852 312 L CB 0.281 42.386 42.059 0.077 0.000 1.169 312 L HN 0.458 nan 8.230 nan 0.000 0.452 313 G N 2.505 111.379 108.800 0.124 0.000 2.148 313 G HA2 -0.324 3.635 3.960 -0.002 0.000 0.254 313 G HA3 -0.324 3.635 3.960 -0.002 0.000 0.254 313 G C 1.044 175.969 174.900 0.043 0.000 0.981 313 G CA 0.609 45.756 45.100 0.078 0.000 0.670 313 G HN 0.744 nan 8.290 nan 0.000 0.528 314 K N -0.235 120.214 120.400 0.081 0.000 2.062 314 K HA 0.037 4.356 4.320 -0.002 0.000 0.205 314 K C 2.453 179.083 176.600 0.049 0.000 1.051 314 K CA 0.960 57.287 56.287 0.067 0.000 0.941 314 K CB -0.130 32.431 32.500 0.101 0.000 0.719 314 K HN 0.241 nan 8.250 nan 0.000 0.440 315 R N -0.406 120.130 120.500 0.059 0.000 2.254 315 R HA 0.129 4.468 4.340 -0.002 0.000 0.195 315 R C 0.293 176.545 176.300 -0.081 0.000 0.957 315 R CA 0.435 56.562 56.100 0.044 0.000 1.024 315 R CB 0.113 30.501 30.300 0.148 0.000 0.952 315 R HN 0.389 nan 8.270 nan 0.000 0.484 316 H N -0.463 118.362 119.070 -0.409 0.000 3.043 316 H HA 0.117 4.672 4.556 -0.002 0.000 0.317 316 H C -1.189 173.881 175.328 -0.430 0.000 1.321 316 H CA -0.657 55.039 56.048 -0.586 0.000 1.243 316 H CB 1.693 30.642 29.762 -1.354 0.000 1.924 316 H HN -0.184 nan 8.280 nan 0.000 0.527 317 K N 2.541 122.503 120.400 -0.730 0.000 2.453 317 K HA 0.070 4.389 4.320 -0.002 0.000 0.280 317 K C -0.738 175.818 176.600 -0.073 0.000 1.045 317 K CA 0.467 56.549 56.287 -0.340 0.000 1.059 317 K CB 0.269 32.559 32.500 -0.348 0.000 0.901 317 K HN 0.411 nan 8.250 nan 0.000 0.475 318 T N 4.431 119.039 114.554 0.089 0.000 2.767 318 T HA 0.104 4.453 4.350 -0.002 0.000 0.284 318 T C 0.530 175.335 174.700 0.174 0.000 0.973 318 T CA -0.727 61.536 62.100 0.271 0.000 0.996 318 T CB 1.207 70.241 68.868 0.276 0.000 0.927 318 T HN 0.564 nan 8.240 nan 0.000 0.456 319 D N 2.185 122.709 120.400 0.207 0.000 2.137 319 D HA 0.071 4.710 4.640 -0.002 0.000 0.202 319 D C 0.455 176.809 176.300 0.089 0.000 0.970 319 D CA 1.105 55.197 54.000 0.154 0.000 0.837 319 D CB 0.546 41.483 40.800 0.228 0.000 0.981 319 D HN 0.444 nan 8.370 nan 0.000 0.475 320 I N 0.657 121.270 120.570 0.071 0.000 2.478 320 I HA 0.368 4.537 4.170 -0.002 0.000 0.287 320 I C -0.865 175.276 176.117 0.041 0.000 1.042 320 I CA -0.731 60.590 61.300 0.034 0.000 1.067 320 I CB 2.290 40.290 38.000 0.001 0.000 1.233 320 I HN -0.209 nan 8.210 nan 0.000 0.431 321 A N 6.381 129.227 122.820 0.044 0.000 2.331 321 A HA 0.839 5.158 4.320 -0.002 0.000 0.320 321 A C -0.895 176.708 177.584 0.033 0.000 1.138 321 A CA -0.526 51.542 52.037 0.051 0.000 0.790 321 A CB 1.463 20.503 19.000 0.067 0.000 1.206 321 A HN 0.425 nan 8.150 nan 0.000 0.470 322 V N 3.304 123.235 119.914 0.027 0.000 2.409 322 V HA 0.301 4.420 4.120 -0.002 0.000 0.291 322 V C -0.622 175.484 176.094 0.020 0.000 1.020 322 V CA -0.395 61.916 62.300 0.017 0.000 0.848 322 V CB 1.433 33.261 31.823 0.007 0.000 0.990 322 V HN 0.784 nan 8.190 nan 0.000 0.430 323 L N 5.808 127.042 121.223 0.018 0.000 2.358 323 L HA 0.803 5.142 4.340 -0.002 0.000 0.274 323 L C 0.216 177.092 176.870 0.009 0.000 1.136 323 L CA 0.431 55.281 54.840 0.017 0.000 0.970 323 L CB -0.232 41.838 42.059 0.018 0.000 1.314 323 L HN 0.839 nan 8.230 nan 0.000 0.427 324 A N 2.739 125.563 122.820 0.007 0.000 2.610 324 A HA 0.457 4.776 4.320 -0.002 0.000 0.291 324 A C -1.296 176.287 177.584 -0.002 0.000 1.086 324 A CA -0.830 51.208 52.037 0.001 0.000 0.677 324 A CB 0.689 19.688 19.000 -0.002 0.000 1.278 324 A HN 0.448 nan 8.150 nan 0.000 0.414 325 D N 0.917 121.314 120.400 -0.005 0.000 2.493 325 D HA 0.384 5.023 4.640 -0.002 0.000 0.240 325 D C 1.337 177.631 176.300 -0.010 0.000 1.142 325 D CA 0.960 54.955 54.000 -0.008 0.000 0.872 325 D CB 1.193 41.988 40.800 -0.009 0.000 1.173 325 D HN 0.779 nan 8.370 nan 0.000 0.467 326 A N 4.118 126.931 122.820 -0.012 0.000 1.883 326 A HA -0.250 4.069 4.320 -0.002 0.000 0.217 326 A C 1.969 179.539 177.584 -0.024 0.000 1.186 326 A CA 1.454 53.481 52.037 -0.017 0.000 0.624 326 A CB -0.698 18.291 19.000 -0.017 0.000 0.822 326 A HN 0.737 nan 8.150 nan 0.000 0.444 327 Q N 0.126 119.910 119.800 -0.026 0.000 2.030 327 Q HA -0.215 4.124 4.340 -0.002 0.000 0.204 327 Q C 2.041 178.024 176.000 -0.027 0.000 0.986 327 Q CA 2.241 58.025 55.803 -0.032 0.000 0.843 327 Q CB -0.297 28.424 28.738 -0.028 0.000 0.904 327 Q HN 0.740 nan 8.270 nan 0.000 0.420 328 K N -0.741 119.647 120.400 -0.021 0.000 2.063 328 K HA -0.114 4.205 4.320 -0.002 0.000 0.208 328 K C 2.171 178.760 176.600 -0.018 0.000 1.048 328 K CA 1.853 58.129 56.287 -0.019 0.000 0.928 328 K CB -0.143 32.348 32.500 -0.015 0.000 0.713 328 K HN 0.235 nan 8.250 nan 0.000 0.442 329 T N 1.754 116.298 114.554 -0.017 0.000 2.777 329 T HA -0.062 4.287 4.350 -0.002 0.000 0.266 329 T C 1.867 176.555 174.700 -0.019 0.000 1.040 329 T CA 0.925 63.015 62.100 -0.016 0.000 1.141 329 T CB -0.130 68.731 68.868 -0.012 0.000 0.868 329 T HN 0.094 nan 8.240 nan 0.000 0.444 330 L N 0.774 121.982 121.223 -0.025 0.000 2.093 330 L HA -0.042 4.297 4.340 -0.002 0.000 0.208 330 L C 3.048 179.900 176.870 -0.031 0.000 1.085 330 L CA 1.056 55.878 54.840 -0.030 0.000 0.755 330 L CB -0.652 41.380 42.059 -0.044 0.000 0.904 330 L HN 0.243 nan 8.230 nan 0.000 0.435 331 A N 0.094 122.896 122.820 -0.030 0.000 1.933 331 A HA -0.194 4.125 4.320 -0.002 0.000 0.218 331 A C 2.529 180.099 177.584 -0.023 0.000 1.175 331 A CA 1.785 53.805 52.037 -0.028 0.000 0.628 331 A CB -0.658 18.326 19.000 -0.026 0.000 0.814 331 A HN 0.408 nan 8.150 nan 0.000 0.444 332 A N -0.051 122.756 122.820 -0.021 0.000 1.902 332 A HA -0.065 4.254 4.320 -0.002 0.000 0.217 332 A C 2.113 179.686 177.584 -0.018 0.000 1.181 332 A CA 1.487 53.513 52.037 -0.018 0.000 0.623 332 A CB -0.600 18.390 19.000 -0.016 0.000 0.818 332 A HN 0.498 nan 8.150 nan 0.000 0.443 333 I N -0.882 119.677 120.570 -0.019 0.000 2.179 333 I HA -0.234 3.935 4.170 -0.002 0.000 0.242 333 I C 2.365 178.470 176.117 -0.020 0.000 1.088 333 I CA 1.119 62.408 61.300 -0.018 0.000 1.357 333 I CB -0.303 37.687 38.000 -0.016 0.000 1.051 333 I HN 0.331 nan 8.210 nan 0.000 0.409 334 L N 1.114 122.324 121.223 -0.023 0.000 2.127 334 L HA -0.138 4.201 4.340 -0.002 0.000 0.211 334 L C 2.385 179.241 176.870 -0.023 0.000 1.089 334 L CA 1.958 56.783 54.840 -0.025 0.000 0.757 334 L CB -0.763 41.278 42.059 -0.029 0.000 0.899 334 L HN 0.204 nan 8.230 nan 0.000 0.434 335 A N -1.847 120.960 122.820 -0.021 0.000 2.119 335 A HA -0.093 4.226 4.320 -0.002 0.000 0.216 335 A C 2.022 179.595 177.584 -0.018 0.000 1.152 335 A CA 0.831 52.857 52.037 -0.019 0.000 0.708 335 A CB -0.310 18.679 19.000 -0.018 0.000 0.805 335 A HN 0.624 nan 8.150 nan 0.000 0.460 336 Q N -0.318 119.471 119.800 -0.019 0.000 2.319 336 Q HA 0.171 4.510 4.340 -0.002 0.000 0.202 336 Q C 0.065 176.053 176.000 -0.019 0.000 0.896 336 Q CA 0.274 56.066 55.803 -0.018 0.000 0.942 336 Q CB 0.480 29.207 28.738 -0.018 0.000 1.083 336 Q HN 0.627 nan 8.270 nan 0.000 0.510 337 V N -3.433 116.469 119.914 -0.021 0.000 3.046 337 V HA 0.719 4.838 4.120 -0.002 0.000 0.316 337 V C -0.303 175.776 176.094 -0.025 0.000 1.104 337 V CA -0.908 61.378 62.300 -0.023 0.000 1.006 337 V CB 2.159 33.967 31.823 -0.025 0.000 1.058 337 V HN -0.114 nan 8.190 nan 0.000 0.440 338 S N 0.322 116.005 115.700 -0.028 0.000 2.638 338 S HA 0.500 4.969 4.470 -0.002 0.000 0.302 338 S C -0.534 174.042 174.600 -0.039 0.000 1.096 338 S CA -0.665 57.517 58.200 -0.029 0.000 0.953 338 S CB 1.531 64.717 63.200 -0.024 0.000 1.107 338 S HN 0.869 nan 8.310 nan 0.000 0.503 339 E N 1.582 121.757 120.200 -0.042 0.000 2.465 339 E HA 0.052 4.401 4.350 -0.002 0.000 0.260 339 E C -0.158 176.404 176.600 -0.063 0.000 0.980 339 E CA 0.574 56.940 56.400 -0.057 0.000 0.927 339 E CB 0.394 30.066 29.700 -0.048 0.000 0.934 339 E HN 0.362 nan 8.360 nan 0.000 0.459 340 R N 2.362 122.807 120.500 -0.092 0.000 2.828 340 R HA 0.352 4.691 4.340 -0.002 0.000 0.264 340 R C 0.040 176.270 176.300 -0.117 0.000 1.022 340 R CA -0.750 55.296 56.100 -0.091 0.000 1.021 340 R CB 1.329 31.571 30.300 -0.098 0.000 1.163 340 R HN 0.487 nan 8.270 nan 0.000 0.494 341 E N 0.326 120.474 120.200 -0.087 0.000 2.280 341 E HA 0.111 4.460 4.350 -0.002 0.000 0.264 341 E C -0.562 175.972 176.600 -0.110 0.000 1.064 341 E CA -0.481 55.870 56.400 -0.081 0.000 0.900 341 E CB 1.441 31.123 29.700 -0.029 0.000 1.123 341 E HN 0.306 nan 8.360 nan 0.000 0.418 342 S N 1.131 116.776 115.700 -0.093 0.000 2.626 342 S HA -0.029 4.440 4.470 -0.002 0.000 0.303 342 S C -0.042 174.584 174.600 0.045 0.000 1.256 342 S CA -0.008 58.165 58.200 -0.045 0.000 1.069 342 S CB -0.166 63.093 63.200 0.098 0.000 0.807 342 S HN 0.516 nan 8.310 nan 0.000 0.500 343 T N 3.662 118.277 114.554 0.102 0.000 2.923 343 T HA 0.533 4.882 4.350 -0.002 0.000 0.281 343 T C -2.101 172.700 174.700 0.168 0.000 0.995 343 T CA -1.811 60.377 62.100 0.147 0.000 0.985 343 T CB 0.917 69.890 68.868 0.176 0.000 1.114 343 T HN 0.294 nan 8.240 nan 0.000 0.548 344 P HA -0.040 nan 4.420 nan 0.000 0.216 344 P C 1.352 178.726 177.300 0.124 0.000 1.153 344 P CA 0.711 63.899 63.100 0.147 0.000 0.848 344 P CB -0.050 31.800 31.700 0.250 0.000 0.787 345 W N -0.404 120.919 121.300 0.039 0.000 2.335 345 W HA -0.201 4.458 4.660 -0.002 0.000 0.311 345 W C 2.016 178.554 176.519 0.031 0.000 1.213 345 W CA 0.997 58.364 57.345 0.037 0.000 1.274 345 W CB -0.979 28.525 29.460 0.072 0.000 1.148 345 W HN 0.068 nan 8.180 nan 0.000 0.498 346 W N 1.637 122.884 121.300 -0.088 0.000 2.335 346 W HA -0.267 4.391 4.660 -0.002 0.000 0.311 346 W C 2.148 178.454 176.519 -0.355 0.000 1.213 346 W CA 1.698 58.906 57.345 -0.227 0.000 1.274 346 W CB -0.501 28.905 29.460 -0.090 0.000 1.148 346 W HN 0.021 nan 8.180 nan 0.000 0.498 347 Q N 0.320 119.909 119.800 -0.353 0.000 2.119 347 Q HA -0.114 4.225 4.340 -0.002 0.000 0.201 347 Q C 2.459 177.928 176.000 -0.886 0.000 0.972 347 Q CA 1.783 57.136 55.803 -0.750 0.000 0.847 347 Q CB -1.003 27.123 28.738 -1.020 0.000 0.903 347 Q HN 0.394 nan 8.270 nan 0.000 0.433 348 A N 1.756 124.152 122.820 -0.706 0.000 1.877 348 A HA -0.199 4.120 4.320 -0.002 0.000 0.216 348 A C 1.930 179.271 177.584 -0.406 0.000 1.186 348 A CA 1.523 53.357 52.037 -0.338 0.000 0.620 348 A CB -0.527 18.433 19.000 -0.066 0.000 0.822 348 A HN 0.336 nan 8.150 nan 0.000 0.443 349 N N 0.158 118.507 118.700 -0.585 0.000 2.084 349 N HA -0.106 4.633 4.740 -0.002 0.000 0.190 349 N C 1.790 176.948 175.510 -0.586 0.000 1.030 349 N CA 1.544 54.216 53.050 -0.630 0.000 0.849 349 N CB -0.423 37.585 38.487 -0.799 0.000 1.012 349 N HN 0.499 nan 8.380 nan 0.000 0.423 350 L N 0.984 121.798 121.223 -0.682 0.000 2.042 350 L HA -0.145 4.194 4.340 -0.002 0.000 0.210 350 L C 2.576 179.153 176.870 -0.489 0.000 1.076 350 L CA 1.181 55.647 54.840 -0.623 0.000 0.749 350 L CB -0.624 41.008 42.059 -0.713 0.000 0.893 350 L HN 0.115 nan 8.230 nan 0.000 0.432 351 A N 0.306 122.818 122.820 -0.515 0.000 1.933 351 A HA -0.261 4.058 4.320 -0.002 0.000 0.218 351 A C 2.077 179.158 177.584 -0.839 0.000 1.175 351 A CA 2.225 53.905 52.037 -0.595 0.000 0.628 351 A CB -0.694 17.956 19.000 -0.582 0.000 0.814 351 A HN 0.475 nan 8.150 nan 0.000 0.444 352 N N -0.081 118.170 118.700 -0.749 0.000 2.188 352 N HA -0.103 4.637 4.740 -0.002 0.000 0.184 352 N C 1.436 176.804 175.510 -0.237 0.000 1.018 352 N CA 1.619 54.384 53.050 -0.474 0.000 0.858 352 N CB -0.307 38.031 38.487 -0.247 0.000 0.989 352 N HN 0.153 nan 8.380 nan 0.000 0.426 353 V N 0.950 120.706 119.914 -0.264 0.000 2.427 353 V HA -0.156 3.963 4.120 -0.002 0.000 0.248 353 V C 2.218 178.264 176.094 -0.081 0.000 1.051 353 V CA 1.415 63.631 62.300 -0.139 0.000 1.048 353 V CB -0.379 31.310 31.823 -0.224 0.000 0.666 353 V HN 0.346 nan 8.190 nan 0.000 0.456 354 K N 0.104 120.404 120.400 -0.166 0.000 2.057 354 K HA -0.190 4.129 4.320 -0.002 0.000 0.207 354 K C 2.155 178.728 176.600 -0.047 0.000 1.049 354 K CA 1.493 57.712 56.287 -0.113 0.000 0.931 354 K CB -0.392 32.023 32.500 -0.141 0.000 0.714 354 K HN 0.511 nan 8.250 nan 0.000 0.440 355 N N 0.755 119.431 118.700 -0.040 0.000 2.043 355 N HA -0.222 4.517 4.740 -0.002 0.000 0.193 355 N C 1.743 177.348 175.510 0.158 0.000 1.037 355 N CA 1.256 54.348 53.050 0.070 0.000 0.851 355 N CB -0.178 38.386 38.487 0.128 0.000 1.027 355 N HN 0.396 nan 8.380 nan 0.000 0.422 356 W N 2.035 123.321 121.300 -0.025 0.000 2.335 356 W HA -0.173 4.486 4.660 -0.001 0.000 0.311 356 W C 2.038 178.573 176.519 0.027 0.000 1.213 356 W CA 1.037 58.393 57.345 0.019 0.000 1.274 356 W CB -0.169 29.261 29.460 -0.050 0.000 1.148 356 W HN 0.158 nan 8.180 nan 0.000 0.498 357 R N 0.064 120.512 120.500 -0.086 0.000 2.115 357 R HA -0.106 4.233 4.340 -0.002 0.000 0.230 357 R C 2.460 178.639 176.300 -0.202 0.000 1.111 357 R CA 1.347 57.312 56.100 -0.225 0.000 0.976 357 R CB -0.812 29.429 30.300 -0.098 0.000 0.870 357 R HN 0.154 nan 8.270 nan 0.000 0.445 358 A N 0.642 123.402 122.820 -0.099 0.000 1.933 358 A HA -0.219 4.100 4.320 -0.002 0.000 0.218 358 A C 1.956 179.492 177.584 -0.080 0.000 1.175 358 A CA 1.143 53.138 52.037 -0.070 0.000 0.628 358 A CB -0.617 18.376 19.000 -0.012 0.000 0.814 358 A HN 0.452 nan 8.150 nan 0.000 0.444 359 Y N 0.661 120.840 120.300 -0.202 0.000 2.163 359 Y HA -0.126 4.424 4.550 -0.001 0.000 0.288 359 Y C 1.861 177.553 175.900 -0.348 0.000 1.136 359 Y CA 1.727 59.684 58.100 -0.239 0.000 1.147 359 Y CB -0.463 37.862 38.460 -0.225 0.000 0.987 359 Y HN 0.198 nan 8.280 nan 0.000 0.509 360 L N -0.006 120.742 121.223 -0.791 0.000 2.131 360 L HA -0.192 4.147 4.340 -0.002 0.000 0.210 360 L C 2.764 179.381 176.870 -0.421 0.000 1.092 360 L CA 1.132 55.502 54.840 -0.784 0.000 0.759 360 L CB -1.012 40.581 42.059 -0.777 0.000 0.903 360 L HN 0.352 nan 8.230 nan 0.000 0.435 361 A N 0.205 122.840 122.820 -0.307 0.000 1.969 361 A HA -0.187 4.132 4.320 -0.002 0.000 0.218 361 A C 2.540 180.020 177.584 -0.174 0.000 1.169 361 A CA 1.786 53.711 52.037 -0.186 0.000 0.635 361 A CB -0.549 18.369 19.000 -0.137 0.000 0.810 361 A HN 0.522 nan 8.150 nan 0.000 0.445 362 S N 0.147 115.726 115.700 -0.203 0.000 2.383 362 S HA -0.071 4.398 4.470 -0.002 0.000 0.227 362 S C 1.859 176.359 174.600 -0.167 0.000 1.026 362 S CA 1.331 59.442 58.200 -0.148 0.000 0.981 362 S CB -0.724 62.413 63.200 -0.105 0.000 0.818 362 S HN 0.450 nan 8.310 nan 0.000 0.472 363 L N 1.239 122.290 121.223 -0.287 0.000 2.056 363 L HA -0.046 4.293 4.340 -0.002 0.000 0.207 363 L C 2.911 179.708 176.870 -0.122 0.000 1.078 363 L CA 1.663 56.353 54.840 -0.250 0.000 0.749 363 L CB -0.675 41.034 42.059 -0.583 0.000 0.901 363 L HN 0.351 nan 8.230 nan 0.000 0.433 364 E N 0.001 120.113 120.200 -0.146 0.000 2.106 364 E HA -0.183 4.166 4.350 -0.002 0.000 0.192 364 E C 0.908 177.456 176.600 -0.087 0.000 0.984 364 E CA 1.036 57.370 56.400 -0.110 0.000 0.806 364 E CB 0.004 29.645 29.700 -0.097 0.000 0.750 364 E HN 0.443 nan 8.360 nan 0.000 0.458 365 D N 0.896 121.246 120.400 -0.083 0.000 2.336 365 D HA 0.030 4.669 4.640 -0.002 0.000 0.228 365 D C -0.299 175.970 176.300 -0.051 0.000 1.120 365 D CA 0.239 54.200 54.000 -0.066 0.000 0.839 365 D CB 0.111 40.873 40.800 -0.062 0.000 0.932 365 D HN 0.064 nan 8.370 nan 0.000 0.509 366 K N 0.944 121.317 120.400 -0.045 0.000 2.451 366 K HA 0.055 4.374 4.320 -0.002 0.000 0.280 366 K C 1.184 177.764 176.600 -0.034 0.000 1.020 366 K CA 0.085 56.353 56.287 -0.031 0.000 1.008 366 K CB 1.041 33.530 32.500 -0.019 0.000 0.917 366 K HN -0.099 nan 8.250 nan 0.000 0.478 367 Q N 1.679 121.462 119.800 -0.028 0.000 2.396 367 Q HA 0.099 4.438 4.340 -0.002 0.000 0.209 367 Q C -0.216 175.770 176.000 -0.024 0.000 0.906 367 Q CA 0.898 56.684 55.803 -0.028 0.000 0.927 367 Q CB 0.792 29.515 28.738 -0.024 0.000 1.069 367 Q HN 0.608 nan 8.270 nan 0.000 0.523 368 E N -1.273 118.914 120.200 -0.020 0.000 2.390 368 E HA 0.627 4.976 4.350 -0.002 0.000 0.277 368 E C -0.779 175.812 176.600 -0.016 0.000 0.939 368 E CA -0.444 55.946 56.400 -0.017 0.000 0.769 368 E CB 2.407 32.099 29.700 -0.014 0.000 1.251 368 E HN 0.137 nan 8.360 nan 0.000 0.450 369 G N 1.620 110.411 108.800 -0.016 0.000 2.361 369 G HA2 0.027 3.986 3.960 -0.002 0.000 0.331 369 G HA3 0.027 3.986 3.960 -0.002 0.000 0.331 369 G C -3.040 171.848 174.900 -0.020 0.000 1.324 369 G CA -1.107 43.984 45.100 -0.016 0.000 0.984 369 G HN 0.340 nan 8.290 nan 0.000 0.586 370 P HA 0.319 nan 4.420 nan 0.000 0.264 370 P C -0.005 177.272 177.300 -0.038 0.000 1.193 370 P CA -0.117 62.966 63.100 -0.028 0.000 0.763 370 P CB 1.106 32.790 31.700 -0.027 0.000 0.810 371 L N 3.949 125.145 121.223 -0.045 0.000 2.453 371 L HA 0.083 4.422 4.340 -0.002 0.000 0.272 371 L C 0.560 177.375 176.870 -0.092 0.000 1.182 371 L CA 0.832 55.635 54.840 -0.062 0.000 0.858 371 L CB -0.001 42.024 42.059 -0.057 0.000 1.120 371 L HN 0.407 nan 8.230 nan 0.000 0.474 372 Q N 2.672 122.393 119.800 -0.133 0.000 2.445 372 Q HA 0.557 4.896 4.340 -0.002 0.000 0.281 372 Q C 0.744 176.579 176.000 -0.275 0.000 1.101 372 Q CA -0.326 55.325 55.803 -0.254 0.000 0.833 372 Q CB 1.513 30.028 28.738 -0.372 0.000 1.416 372 Q HN 0.757 nan 8.270 nan 0.000 0.451 373 A N 0.224 122.817 122.820 -0.378 0.000 1.940 373 A HA -0.216 4.103 4.320 -0.002 0.000 0.219 373 A C 1.396 178.896 177.584 -0.140 0.000 1.176 373 A CA 1.718 53.682 52.037 -0.121 0.000 0.631 373 A CB -0.693 18.221 19.000 -0.143 0.000 0.814 373 A HN 0.734 nan 8.150 nan 0.000 0.446 374 Y N -0.083 120.111 120.300 -0.177 0.000 2.181 374 Y HA -0.178 4.371 4.550 -0.001 0.000 0.288 374 Y C 2.553 178.228 175.900 -0.374 0.000 1.146 374 Y CA 1.453 59.267 58.100 -0.478 0.000 1.164 374 Y CB -1.115 37.093 38.460 -0.420 0.000 0.982 374 Y HN 0.343 nan 8.280 nan 0.000 0.515 375 Q N -0.194 119.550 119.800 -0.093 0.000 2.230 375 Q HA -0.053 4.286 4.340 -0.002 0.000 0.202 375 Q C 2.343 178.241 176.000 -0.170 0.000 0.963 375 Q CA 1.139 56.870 55.803 -0.121 0.000 0.866 375 Q CB -0.561 28.121 28.738 -0.094 0.000 0.931 375 Q HN 0.360 nan 8.270 nan 0.000 0.452 376 V N 0.272 120.100 119.914 -0.143 0.000 2.427 376 V HA -0.205 3.914 4.120 -0.002 0.000 0.248 376 V C 1.982 177.965 176.094 -0.184 0.000 1.051 376 V CA 1.367 63.555 62.300 -0.187 0.000 1.048 376 V CB -0.494 31.228 31.823 -0.168 0.000 0.666 376 V HN 0.326 nan 8.190 nan 0.000 0.456 377 L N -0.231 120.958 121.223 -0.057 0.000 2.141 377 L HA -0.109 4.230 4.340 -0.002 0.000 0.209 377 L C 2.793 179.578 176.870 -0.142 0.000 1.094 377 L CA 1.256 56.065 54.840 -0.052 0.000 0.763 377 L CB -0.581 41.468 42.059 -0.018 0.000 0.908 377 L HN 0.265 nan 8.230 nan 0.000 0.437 378 R N 0.865 121.260 120.500 -0.176 0.000 2.081 378 R HA -0.171 4.168 4.340 -0.002 0.000 0.235 378 R C 2.175 178.339 176.300 -0.227 0.000 1.131 378 R CA 1.717 57.719 56.100 -0.163 0.000 0.960 378 R CB -0.308 29.903 30.300 -0.148 0.000 0.856 378 R HN 0.325 nan 8.270 nan 0.000 0.436 379 A N 0.478 123.071 122.820 -0.378 0.000 1.933 379 A HA -0.093 4.226 4.320 -0.002 0.000 0.218 379 A C 2.438 179.656 177.584 -0.609 0.000 1.175 379 A CA 1.570 53.233 52.037 -0.623 0.000 0.628 379 A CB -0.554 17.739 19.000 -1.179 0.000 0.814 379 A HN 0.211 nan 8.150 nan 0.000 0.444 380 V N 0.978 120.609 119.914 -0.472 0.000 2.295 380 V HA -0.267 3.852 4.120 -0.002 0.000 0.246 380 V C 2.315 178.355 176.094 -0.090 0.000 1.049 380 V CA 2.143 64.340 62.300 -0.173 0.000 1.024 380 V CB -0.925 30.800 31.823 -0.162 0.000 0.648 380 V HN 0.562 nan 8.190 nan 0.000 0.447 381 N N 0.331 118.968 118.700 -0.105 0.000 2.137 381 N HA -0.165 4.574 4.740 -0.002 0.000 0.190 381 N C 1.727 177.234 175.510 -0.004 0.000 1.017 381 N CA 1.143 54.168 53.050 -0.041 0.000 0.859 381 N CB -0.300 38.154 38.487 -0.054 0.000 1.002 381 N HN 0.407 nan 8.380 nan 0.000 0.428 382 K N 1.001 121.380 120.400 -0.035 0.000 2.283 382 K HA -0.001 4.318 4.320 -0.002 0.000 0.202 382 K C 1.903 178.534 176.600 0.053 0.000 1.048 382 K CA 0.519 56.802 56.287 -0.005 0.000 0.948 382 K CB -0.168 32.309 32.500 -0.038 0.000 0.742 382 K HN 0.507 nan 8.250 nan 0.000 0.458 383 I N -2.729 117.909 120.570 0.113 0.000 3.956 383 I HA 0.278 4.447 4.170 -0.002 0.000 0.333 383 I C 0.596 176.859 176.117 0.243 0.000 1.302 383 I CA -0.474 60.937 61.300 0.186 0.000 1.122 383 I CB 0.234 38.401 38.000 0.280 0.000 1.013 383 I HN -0.245 nan 8.210 nan 0.000 0.405 384 A N 1.812 124.777 122.820 0.243 0.000 2.440 384 A HA 0.329 4.648 4.320 -0.002 0.000 0.251 384 A C 0.102 177.801 177.584 0.191 0.000 1.089 384 A CA -0.113 52.105 52.037 0.302 0.000 0.779 384 A CB 0.117 19.269 19.000 0.254 0.000 1.022 384 A HN 0.483 nan 8.150 nan 0.000 0.492 385 E N 2.792 123.098 120.200 0.177 0.000 2.319 385 E HA 0.197 4.546 4.350 -0.002 0.000 0.268 385 E C -1.372 175.289 176.600 0.103 0.000 1.050 385 E CA -1.807 54.655 56.400 0.104 0.000 0.878 385 E CB 0.901 30.639 29.700 0.064 0.000 1.066 385 E HN 0.524 nan 8.360 nan 0.000 0.406 386 P HA -0.161 nan 4.420 nan 0.000 0.226 386 P C 0.011 177.350 177.300 0.065 0.000 1.146 386 P CA 1.296 64.436 63.100 0.067 0.000 0.773 386 P CB 0.235 31.962 31.700 0.044 0.000 0.772 387 D N -1.707 118.725 120.400 0.054 0.000 2.599 387 D HA 0.246 4.885 4.640 -0.002 0.000 0.249 387 D C 0.291 176.601 176.300 0.016 0.000 1.313 387 D CA -0.741 53.275 54.000 0.027 0.000 0.815 387 D CB -0.391 40.409 40.800 0.000 0.000 1.077 387 D HN -0.025 nan 8.370 nan 0.000 0.492 388 A N 0.623 123.478 122.820 0.058 0.000 2.466 388 A HA 0.462 4.781 4.320 -0.002 0.000 0.238 388 A C 0.217 177.770 177.584 -0.052 0.000 1.074 388 A CA -0.063 51.970 52.037 -0.006 0.000 0.774 388 A CB 0.219 19.239 19.000 0.034 0.000 1.015 388 A HN 0.371 nan 8.150 nan 0.000 0.498 389 I N 0.689 121.184 120.570 -0.124 0.000 2.441 389 I HA 0.333 4.502 4.170 -0.002 0.000 0.295 389 I C -1.275 174.780 176.117 -0.104 0.000 0.994 389 I CA -0.303 60.978 61.300 -0.032 0.000 1.144 389 I CB 1.512 39.502 38.000 -0.016 0.000 1.314 389 I HN 0.592 nan 8.210 nan 0.000 0.445 390 Y N 3.838 124.256 120.300 0.197 0.000 2.345 390 Y HA 0.312 4.861 4.550 -0.001 0.000 0.331 390 Y C 0.423 176.433 175.900 0.183 0.000 0.959 390 Y CA -0.520 57.709 58.100 0.216 0.000 1.204 390 Y CB 1.896 40.455 38.460 0.164 0.000 1.135 390 Y HN 0.414 nan 8.280 nan 0.000 0.477 391 S N 5.137 120.999 115.700 0.270 0.000 2.452 391 S HA 0.618 5.087 4.470 -0.002 0.000 0.284 391 S C -0.547 174.180 174.600 0.211 0.000 1.171 391 S CA -0.392 57.926 58.200 0.196 0.000 1.064 391 S CB -0.231 63.051 63.200 0.137 0.000 0.967 391 S HN 0.558 nan 8.310 nan 0.000 0.484 392 I N 4.152 124.835 120.570 0.189 0.000 2.474 392 I HA 0.355 4.524 4.170 -0.002 0.000 0.294 392 I C 0.688 176.866 176.117 0.101 0.000 1.005 392 I CA -0.824 60.573 61.300 0.161 0.000 1.113 392 I CB 1.680 39.800 38.000 0.200 0.000 1.289 392 I HN 0.595 nan 8.210 nan 0.000 0.436 393 D N 3.640 124.075 120.400 0.058 0.000 2.342 393 D HA 0.391 5.030 4.640 -0.002 0.000 0.284 393 D C -0.897 175.393 176.300 -0.017 0.000 1.198 393 D CA 0.052 54.066 54.000 0.024 0.000 1.061 393 D CB 1.507 42.317 40.800 0.016 0.000 1.130 393 D HN 0.098 nan 8.370 nan 0.000 0.541 394 V N -0.717 119.161 119.914 -0.060 0.000 2.638 394 V HA 0.673 4.792 4.120 -0.002 0.000 0.306 394 V C 0.621 176.586 176.094 -0.215 0.000 1.052 394 V CA 0.286 62.507 62.300 -0.133 0.000 0.885 394 V CB 1.116 32.882 31.823 -0.096 0.000 0.999 394 V HN 0.910 nan 8.190 nan 0.000 0.424 395 G N 3.606 112.143 108.800 -0.439 0.000 2.291 395 G HA2 -0.003 3.956 3.960 -0.002 0.000 0.249 395 G HA3 -0.003 3.956 3.960 -0.002 0.000 0.249 395 G C -0.106 174.402 174.900 -0.653 0.000 1.340 395 G CA 0.080 44.856 45.100 -0.540 0.000 1.017 395 G HN 0.440 nan 8.290 nan 0.000 0.470 396 D N -0.346 119.911 120.400 -0.239 0.000 2.218 396 D HA -0.056 4.583 4.640 -0.002 0.000 0.204 396 D C 2.379 178.566 176.300 -0.189 0.000 0.976 396 D CA 1.028 54.984 54.000 -0.074 0.000 0.853 396 D CB 0.039 40.874 40.800 0.058 0.000 0.939 396 D HN 0.285 nan 8.370 nan 0.000 0.481 397 I N 1.293 121.700 120.570 -0.273 0.000 2.423 397 I HA -0.258 3.911 4.170 -0.002 0.000 0.254 397 I C 1.194 177.169 176.117 -0.237 0.000 1.151 397 I CA 1.282 62.380 61.300 -0.338 0.000 1.421 397 I CB -0.287 37.491 38.000 -0.371 0.000 1.079 397 I HN -0.054 nan 8.210 nan 0.000 0.431 398 N N 0.072 118.611 118.700 -0.267 0.000 2.171 398 N HA -0.130 4.609 4.740 -0.002 0.000 0.184 398 N C 1.900 177.214 175.510 -0.326 0.000 1.021 398 N CA 1.356 54.217 53.050 -0.315 0.000 0.854 398 N CB -0.364 37.823 38.487 -0.500 0.000 0.994 398 N HN 0.393 nan 8.380 nan 0.000 0.426 399 L N 0.706 121.794 121.223 -0.226 0.000 2.046 399 L HA -0.115 4.224 4.340 -0.002 0.000 0.208 399 L C 1.385 178.243 176.870 -0.019 0.000 1.077 399 L CA 1.330 56.117 54.840 -0.088 0.000 0.747 399 L CB -0.117 41.977 42.059 0.057 0.000 0.896 399 L HN 0.219 nan 8.230 nan 0.000 0.432 400 N N -0.035 118.657 118.700 -0.013 0.000 2.250 400 N HA -0.045 4.694 4.740 -0.002 0.000 0.181 400 N C 1.781 177.336 175.510 0.075 0.000 1.017 400 N CA 1.276 54.381 53.050 0.091 0.000 0.866 400 N CB -0.218 38.282 38.487 0.022 0.000 0.985 400 N HN 0.429 nan 8.380 nan 0.000 0.429 401 A N 1.259 124.058 122.820 -0.035 0.000 1.873 401 A HA -0.147 4.172 4.320 -0.002 0.000 0.215 401 A C 2.133 179.708 177.584 -0.015 0.000 1.186 401 A CA 1.617 53.629 52.037 -0.041 0.000 0.616 401 A CB -0.827 18.144 19.000 -0.049 0.000 0.823 401 A HN 0.307 nan 8.150 nan 0.000 0.442 402 N N -0.342 118.383 118.700 0.041 0.000 2.149 402 N HA -0.168 4.571 4.740 -0.002 0.000 0.188 402 N C 1.827 177.362 175.510 0.041 0.000 1.019 402 N CA 1.825 54.937 53.050 0.103 0.000 0.857 402 N CB -0.225 38.330 38.487 0.114 0.000 0.997 402 N HN 0.524 nan 8.380 nan 0.000 0.426 403 R N -1.710 118.776 120.500 -0.024 0.000 2.100 403 R HA 0.080 4.419 4.340 -0.002 0.000 0.220 403 R C 1.172 177.263 176.300 -0.348 0.000 1.091 403 R CA 0.902 56.903 56.100 -0.166 0.000 0.986 403 R CB -0.049 30.080 30.300 -0.284 0.000 0.888 403 R HN 0.466 nan 8.270 nan 0.000 0.444 404 H N -0.602 118.433 119.070 -0.058 0.000 2.705 404 H HA 0.229 4.784 4.556 -0.002 0.000 0.269 404 H C 0.255 175.514 175.328 -0.114 0.000 0.998 404 H CA 0.051 56.044 56.048 -0.093 0.000 1.193 404 H CB 0.680 30.399 29.762 -0.071 0.000 1.485 404 H HN -0.003 nan 8.280 nan 0.000 0.521 405 L N 1.738 122.921 121.223 -0.066 0.000 2.326 405 L HA 0.228 4.567 4.340 -0.002 0.000 0.278 405 L C 0.145 176.934 176.870 -0.135 0.000 1.092 405 L CA -0.314 54.423 54.840 -0.171 0.000 0.810 405 L CB 1.206 43.037 42.059 -0.380 0.000 1.153 405 L HN -0.199 nan 8.230 nan 0.000 0.439 406 K N 4.622 124.959 120.400 -0.105 0.000 2.296 406 K HA 0.471 4.790 4.320 -0.002 0.000 0.257 406 K C -0.877 175.687 176.600 -0.059 0.000 1.088 406 K CA -0.092 56.159 56.287 -0.060 0.000 0.980 406 K CB 0.633 33.116 32.500 -0.029 0.000 1.430 406 K HN 0.411 nan 8.250 nan 0.000 0.441 407 L N 1.943 123.116 121.223 -0.083 0.000 2.357 407 L HA 0.483 4.822 4.340 -0.002 0.000 0.273 407 L C 0.738 177.589 176.870 -0.031 0.000 1.080 407 L CA -0.607 54.196 54.840 -0.062 0.000 0.803 407 L CB 1.459 43.443 42.059 -0.125 0.000 1.174 407 L HN 0.597 nan 8.230 nan 0.000 0.443 408 T N -2.179 112.374 114.554 -0.001 0.000 2.888 408 T HA 0.423 4.772 4.350 -0.002 0.000 0.288 408 T C -2.267 172.435 174.700 0.002 0.000 1.063 408 T CA -1.937 60.160 62.100 -0.005 0.000 1.010 408 T CB 1.826 70.700 68.868 0.009 0.000 1.214 408 T HN 0.235 nan 8.240 nan 0.000 0.533 409 P HA -0.040 nan 4.420 nan 0.000 0.220 409 P C 1.211 178.515 177.300 0.008 0.000 1.144 409 P CA 0.904 64.001 63.100 -0.005 0.000 0.800 409 P CB -0.113 31.573 31.700 -0.022 0.000 0.772 410 S N -1.895 113.812 115.700 0.013 0.000 2.562 410 S HA 0.035 4.504 4.470 -0.002 0.000 0.221 410 S C 0.736 175.347 174.600 0.019 0.000 0.975 410 S CA 0.271 58.477 58.200 0.012 0.000 0.918 410 S CB -0.681 62.528 63.200 0.015 0.000 0.772 410 S HN 0.327 nan 8.310 nan 0.000 0.531 411 N N 0.997 119.729 118.700 0.053 0.000 2.485 411 N HA 0.508 5.247 4.740 -0.002 0.000 0.280 411 N C -0.396 175.177 175.510 0.105 0.000 1.205 411 N CA -0.710 52.401 53.050 0.102 0.000 0.959 411 N CB 0.667 39.265 38.487 0.186 0.000 1.206 411 N HN -0.107 nan 8.380 nan 0.000 0.545 412 R N 0.484 121.072 120.500 0.146 0.000 2.621 412 R HA 0.359 4.698 4.340 -0.002 0.000 0.284 412 R C -1.368 175.100 176.300 0.281 0.000 0.998 412 R CA -0.820 55.361 56.100 0.135 0.000 0.895 412 R CB 1.000 31.308 30.300 0.012 0.000 1.195 412 R HN 0.920 nan 8.270 nan 0.000 0.450 413 H N 0.029 119.163 119.070 0.107 0.000 2.771 413 H HA 0.771 5.326 4.556 -0.002 0.000 0.361 413 H C -0.324 175.047 175.328 0.071 0.000 1.108 413 H CA -1.015 55.117 56.048 0.141 0.000 1.201 413 H CB 1.713 31.533 29.762 0.097 0.000 1.681 413 H HN 0.529 nan 8.280 nan 0.000 0.534 414 I N 0.179 120.785 120.570 0.060 0.000 2.730 414 I HA 0.829 4.998 4.170 -0.002 0.000 0.298 414 I C -0.753 175.399 176.117 0.058 0.000 1.089 414 I CA -0.840 60.452 61.300 -0.012 0.000 1.041 414 I CB 2.506 40.522 38.000 0.026 0.000 1.235 414 I HN 0.773 nan 8.210 nan 0.000 0.423 415 T N 1.313 115.892 114.554 0.040 0.000 2.665 415 T HA 0.314 4.663 4.350 -0.002 0.000 0.303 415 T C -1.291 173.452 174.700 0.072 0.000 1.334 415 T CA -0.430 61.724 62.100 0.091 0.000 1.011 415 T CB 1.920 70.894 68.868 0.177 0.000 1.573 415 T HN 0.742 nan 8.240 nan 0.000 0.492 416 S N 1.673 117.427 115.700 0.089 0.000 2.473 416 S HA 0.289 4.758 4.470 -0.002 0.000 0.312 416 S C 1.005 175.676 174.600 0.118 0.000 1.087 416 S CA -0.617 57.643 58.200 0.100 0.000 1.077 416 S CB -0.491 62.777 63.200 0.113 0.000 1.065 416 S HN 0.540 nan 8.310 nan 0.000 0.510 417 N N 3.561 122.324 118.700 0.105 0.000 2.270 417 N HA -0.018 4.721 4.740 -0.002 0.000 0.181 417 N C 1.078 176.673 175.510 0.142 0.000 1.016 417 N CA 0.871 54.002 53.050 0.136 0.000 0.870 417 N CB -0.042 38.500 38.487 0.091 0.000 0.979 417 N HN 0.546 nan 8.380 nan 0.000 0.431 418 L N -1.544 119.757 121.223 0.130 0.000 2.766 418 L HA 0.288 4.627 4.340 -0.002 0.000 0.241 418 L C 1.294 178.271 176.870 0.178 0.000 1.080 418 L CA 0.246 55.160 54.840 0.124 0.000 0.909 418 L CB -0.119 42.003 42.059 0.105 0.000 1.277 418 L HN -0.155 nan 8.230 nan 0.000 0.510 419 F N 1.696 121.667 119.950 0.035 0.000 2.270 419 F HA 0.394 4.920 4.527 -0.002 0.000 0.295 419 F C 1.577 177.391 175.800 0.023 0.000 1.087 419 F CA 0.544 58.564 58.000 0.033 0.000 1.365 419 F CB -0.156 38.878 39.000 0.057 0.000 1.056 419 F HN 0.108 nan 8.300 nan 0.000 0.506 420 A N 1.246 124.115 122.820 0.081 0.000 2.667 420 A HA -0.224 4.095 4.320 -0.002 0.000 0.298 420 A C 0.648 178.168 177.584 -0.107 0.000 1.483 420 A CA 0.917 52.948 52.037 -0.011 0.000 0.738 420 A CB -2.645 16.341 19.000 -0.023 0.000 1.067 420 A HN 0.413 nan 8.150 nan 0.000 0.451 421 T N 1.019 115.548 114.554 -0.042 0.000 2.832 421 T HA 0.557 4.906 4.350 -0.002 0.000 0.296 421 T C 0.793 175.477 174.700 -0.027 0.000 0.968 421 T CA -0.106 61.956 62.100 -0.064 0.000 1.107 421 T CB -0.047 68.873 68.868 0.087 0.000 0.916 421 T HN 0.473 nan 8.240 nan 0.000 0.517 422 M N 3.417 122.983 119.600 -0.057 0.000 2.207 422 M HA 0.373 4.852 4.480 -0.002 0.000 0.311 422 M C 1.746 178.034 176.300 -0.020 0.000 1.127 422 M CA 0.993 56.273 55.300 -0.034 0.000 1.181 422 M CB 0.317 32.894 32.600 -0.038 0.000 1.409 422 M HN 0.960 nan 8.290 nan 0.000 0.461 423 G N -0.547 108.247 108.800 -0.009 0.000 2.279 423 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.223 423 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.223 423 G C 0.585 175.477 174.900 -0.012 0.000 1.015 423 G CA 0.331 45.419 45.100 -0.019 0.000 0.621 423 G HN 0.804 nan 8.290 nan 0.000 0.506 424 V N 0.196 120.112 119.914 0.004 0.000 2.867 424 V HA 0.277 4.396 4.120 -0.002 0.000 0.260 424 V C 2.634 178.741 176.094 0.021 0.000 1.099 424 V CA 2.220 64.526 62.300 0.010 0.000 1.122 424 V CB -1.249 30.592 31.823 0.031 0.000 0.708 424 V HN 1.039 nan 8.190 nan 0.000 0.490 425 G N 0.900 109.719 108.800 0.033 0.000 2.446 425 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.217 425 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.217 425 G C 1.515 176.442 174.900 0.045 0.000 1.168 425 G CA 1.376 46.509 45.100 0.056 0.000 0.771 425 G HN 0.540 nan 8.290 nan 0.000 0.551 426 I N 1.791 122.375 120.570 0.024 0.000 2.163 426 I HA -0.083 4.086 4.170 -0.002 0.000 0.240 426 I C 0.097 176.209 176.117 -0.010 0.000 1.081 426 I CA 0.983 62.292 61.300 0.015 0.000 1.353 426 I CB -0.808 37.200 38.000 0.013 0.000 1.054 426 I HN 0.175 nan 8.210 nan 0.000 0.407 427 P HA -0.150 nan 4.420 nan 0.000 0.215 427 P C 1.643 178.904 177.300 -0.064 0.000 1.153 427 P CA 2.068 65.115 63.100 -0.088 0.000 0.853 427 P CB -0.281 31.346 31.700 -0.123 0.000 0.788 428 G N 0.541 109.331 108.800 -0.017 0.000 2.418 428 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.217 428 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.217 428 G C 1.849 176.774 174.900 0.042 0.000 1.158 428 G CA 1.164 46.275 45.100 0.019 0.000 0.771 428 G HN 0.367 nan 8.290 nan 0.000 0.545 429 A N 0.659 123.506 122.820 0.044 0.000 1.902 429 A HA 0.056 4.375 4.320 -0.002 0.000 0.217 429 A C 2.400 180.001 177.584 0.029 0.000 1.181 429 A CA 1.256 53.322 52.037 0.048 0.000 0.623 429 A CB -0.339 18.691 19.000 0.049 0.000 0.818 429 A HN 0.383 nan 8.150 nan 0.000 0.443 430 I N -0.277 120.297 120.570 0.006 0.000 2.179 430 I HA -0.298 3.871 4.170 -0.002 0.000 0.242 430 I C 2.991 179.110 176.117 0.004 0.000 1.088 430 I CA 1.160 62.456 61.300 -0.006 0.000 1.357 430 I CB -0.328 37.653 38.000 -0.033 0.000 1.051 430 I HN 0.360 nan 8.210 nan 0.000 0.409 431 A N 0.603 123.433 122.820 0.017 0.000 1.902 431 A HA -0.163 4.156 4.320 -0.002 0.000 0.217 431 A C 2.527 180.165 177.584 0.089 0.000 1.181 431 A CA 1.860 53.944 52.037 0.078 0.000 0.623 431 A CB -0.871 18.178 19.000 0.082 0.000 0.818 431 A HN 0.441 nan 8.150 nan 0.000 0.443 432 A N -0.414 122.473 122.820 0.111 0.000 1.902 432 A HA -0.154 4.165 4.320 -0.002 0.000 0.217 432 A C 2.085 179.762 177.584 0.155 0.000 1.181 432 A CA 2.306 54.458 52.037 0.192 0.000 0.623 432 A CB -0.387 18.717 19.000 0.173 0.000 0.818 432 A HN 0.401 nan 8.150 nan 0.000 0.443 433 K N -0.120 120.323 120.400 0.072 0.000 2.148 433 K HA 0.086 4.405 4.320 -0.002 0.000 0.204 433 K C 1.719 178.321 176.600 0.004 0.000 1.050 433 K CA 0.947 57.260 56.287 0.043 0.000 0.942 433 K CB -0.501 32.009 32.500 0.016 0.000 0.724 433 K HN 0.492 nan 8.250 nan 0.000 0.446 434 L N 0.515 121.707 121.223 -0.053 0.000 2.046 434 L HA -0.193 4.146 4.340 -0.002 0.000 0.208 434 L C 1.845 178.654 176.870 -0.101 0.000 1.077 434 L CA 1.216 55.961 54.840 -0.159 0.000 0.747 434 L CB -0.362 41.448 42.059 -0.415 0.000 0.896 434 L HN 0.285 nan 8.230 nan 0.000 0.432 435 N N -1.144 117.507 118.700 -0.081 0.000 2.333 435 N HA -0.062 4.677 4.740 -0.002 0.000 0.178 435 N C -0.113 175.141 175.510 -0.426 0.000 1.018 435 N CA 0.902 53.797 53.050 -0.259 0.000 0.882 435 N CB 0.377 38.586 38.487 -0.463 0.000 0.984 435 N HN 0.264 nan 8.380 nan 0.000 0.434 436 Y N 0.323 120.646 120.300 0.038 0.000 2.470 436 Y HA 0.319 4.868 4.550 -0.002 0.000 0.352 436 Y C -1.777 174.126 175.900 0.006 0.000 0.967 436 Y CA -1.910 56.205 58.100 0.026 0.000 1.121 436 Y CB 1.162 39.639 38.460 0.029 0.000 1.149 436 Y HN 0.007 nan 8.280 nan 0.000 0.641 437 P HA -0.127 nan 4.420 nan 0.000 0.228 437 P C 0.327 177.653 177.300 0.042 0.000 1.151 437 P CA 1.319 64.449 63.100 0.051 0.000 0.770 437 P CB 0.501 32.213 31.700 0.021 0.000 0.786 438 E N -0.819 119.420 120.200 0.065 0.000 2.479 438 E HA 0.069 4.418 4.350 -0.002 0.000 0.193 438 E C 0.703 177.320 176.600 0.028 0.000 1.049 438 E CA -0.013 56.411 56.400 0.040 0.000 0.870 438 E CB 0.155 29.885 29.700 0.050 0.000 0.944 438 E HN 0.290 nan 8.360 nan 0.000 0.492 439 R N 1.229 121.754 120.500 0.041 0.000 2.668 439 R HA 0.250 4.589 4.340 -0.002 0.000 0.279 439 R C -0.092 176.183 176.300 -0.041 0.000 0.976 439 R CA -0.540 55.559 56.100 -0.001 0.000 0.978 439 R CB 1.245 31.536 30.300 -0.015 0.000 1.133 439 R HN 0.065 nan 8.270 nan 0.000 0.484 440 Q N 1.654 121.406 119.800 -0.079 0.000 2.313 440 Q HA 0.221 4.560 4.340 -0.002 0.000 0.266 440 Q C -1.110 174.765 176.000 -0.208 0.000 0.989 440 Q CA -0.074 55.626 55.803 -0.172 0.000 0.890 440 Q CB 1.000 29.635 28.738 -0.172 0.000 1.200 440 Q HN 0.295 nan 8.270 nan 0.000 0.396 441 V N 5.490 125.244 119.914 -0.267 0.000 2.487 441 V HA 0.454 4.573 4.120 -0.002 0.000 0.298 441 V C -0.868 175.062 176.094 -0.274 0.000 1.028 441 V CA -0.594 61.599 62.300 -0.179 0.000 0.860 441 V CB 1.200 32.987 31.823 -0.060 0.000 0.991 441 V HN 0.656 nan 8.190 nan 0.000 0.427 442 F N 2.850 122.715 119.950 -0.142 0.000 2.507 442 F HA 0.580 5.106 4.527 -0.001 0.000 0.327 442 F C 0.316 176.141 175.800 0.042 0.000 1.068 442 F CA -0.557 57.413 58.000 -0.051 0.000 0.965 442 F CB 1.871 40.826 39.000 -0.075 0.000 1.192 442 F HN 0.515 nan 8.300 nan 0.000 0.476 443 N N 3.069 121.949 118.700 0.300 0.000 2.491 443 N HA 0.397 5.136 4.740 -0.002 0.000 0.274 443 N C -1.978 173.692 175.510 0.266 0.000 1.023 443 N CA -0.346 52.836 53.050 0.219 0.000 0.902 443 N CB 0.674 39.239 38.487 0.129 0.000 1.267 443 N HN 0.568 nan 8.380 nan 0.000 0.503 444 L N 2.459 123.845 121.223 0.273 0.000 2.277 444 L HA 0.832 5.171 4.340 -0.002 0.000 0.284 444 L C -0.219 176.765 176.870 0.190 0.000 1.028 444 L CA -0.830 54.192 54.840 0.304 0.000 0.835 444 L CB 1.196 43.421 42.059 0.276 0.000 1.215 444 L HN 0.615 nan 8.230 nan 0.000 0.425 445 A N 2.288 125.242 122.820 0.223 0.000 2.449 445 A HA 0.826 5.145 4.320 -0.002 0.000 0.302 445 A C -0.028 177.642 177.584 0.145 0.000 1.048 445 A CA -0.405 51.698 52.037 0.110 0.000 0.708 445 A CB 1.598 20.627 19.000 0.048 0.000 1.274 445 A HN 0.662 nan 8.150 nan 0.000 0.410 446 G N 0.396 109.233 108.800 0.062 0.000 2.539 446 G HA2 0.398 4.357 3.960 -0.002 0.000 0.258 446 G HA3 0.398 4.357 3.960 -0.002 0.000 0.258 446 G C 0.442 175.383 174.900 0.069 0.000 1.202 446 G CA 0.346 45.505 45.100 0.098 0.000 0.851 446 G HN 0.828 nan 8.290 nan 0.000 0.556 447 D N 0.426 120.882 120.400 0.093 0.000 2.133 447 D HA -0.141 4.498 4.640 -0.002 0.000 0.195 447 D C 2.164 178.595 176.300 0.218 0.000 0.997 447 D CA 1.668 55.735 54.000 0.112 0.000 0.840 447 D CB -0.886 40.071 40.800 0.262 0.000 0.947 447 D HN 0.478 nan 8.370 nan 0.000 0.452 448 G N 0.165 109.145 108.800 0.300 0.000 2.402 448 G HA2 -0.072 3.887 3.960 -0.002 0.000 0.216 448 G HA3 -0.072 3.887 3.960 -0.002 0.000 0.216 448 G C 1.746 176.781 174.900 0.224 0.000 1.162 448 G CA 0.832 46.146 45.100 0.357 0.000 0.777 448 G HN 0.504 nan 8.290 nan 0.000 0.539 449 G N 1.055 109.948 108.800 0.155 0.000 2.402 449 G HA2 0.077 4.036 3.960 -0.002 0.000 0.216 449 G HA3 0.077 4.036 3.960 -0.002 0.000 0.216 449 G C 2.033 176.968 174.900 0.059 0.000 1.162 449 G CA 1.473 46.618 45.100 0.075 0.000 0.777 449 G HN 0.613 nan 8.290 nan 0.000 0.539 450 A N 0.640 123.484 122.820 0.040 0.000 1.969 450 A HA 0.080 4.399 4.320 -0.002 0.000 0.218 450 A C 2.672 180.378 177.584 0.204 0.000 1.169 450 A CA 2.084 54.133 52.037 0.021 0.000 0.635 450 A CB -0.474 18.356 19.000 -0.283 0.000 0.810 450 A HN 0.293 nan 8.150 nan 0.000 0.445 451 S N -0.133 115.737 115.700 0.283 0.000 2.368 451 S HA -0.153 4.316 4.470 -0.002 0.000 0.225 451 S C 1.952 176.615 174.600 0.106 0.000 1.030 451 S CA 1.739 60.095 58.200 0.261 0.000 0.999 451 S CB -0.412 62.876 63.200 0.146 0.000 0.844 451 S HN 0.609 nan 8.310 nan 0.000 0.459 452 M N 1.029 120.666 119.600 0.062 0.000 2.279 452 M HA -0.067 4.412 4.480 -0.002 0.000 0.264 452 M C 1.476 177.747 176.300 -0.048 0.000 1.062 452 M CA 1.324 56.621 55.300 -0.005 0.000 1.099 452 M CB -0.696 31.890 32.600 -0.023 0.000 1.394 452 M HN 0.397 nan 8.290 nan 0.000 0.426 453 T N -3.292 111.253 114.554 -0.014 0.000 3.145 453 T HA 0.279 4.628 4.350 -0.002 0.000 0.281 453 T C 1.252 175.962 174.700 0.017 0.000 1.003 453 T CA -0.304 61.770 62.100 -0.043 0.000 0.901 453 T CB -0.381 68.453 68.868 -0.057 0.000 1.112 453 T HN 0.421 nan 8.240 nan 0.000 0.535 454 M N 1.544 121.190 119.600 0.076 0.000 2.143 454 M HA -0.238 4.241 4.480 -0.002 0.000 0.258 454 M C 2.273 178.608 176.300 0.058 0.000 1.071 454 M CA 2.018 57.392 55.300 0.123 0.000 1.088 454 M CB -0.914 31.783 32.600 0.162 0.000 1.360 454 M HN 0.209 nan 8.290 nan 0.000 0.404 455 Q N 1.404 121.220 119.800 0.028 0.000 2.234 455 Q HA -0.196 4.143 4.340 -0.002 0.000 0.206 455 Q C 0.312 176.327 176.000 0.025 0.000 0.980 455 Q CA 2.275 58.091 55.803 0.020 0.000 0.869 455 Q CB -1.163 27.594 28.738 0.032 0.000 0.912 455 Q HN 0.703 nan 8.270 nan 0.000 0.436 456 D N 0.360 120.775 120.400 0.025 0.000 2.319 456 D HA 0.170 4.809 4.640 -0.002 0.000 0.230 456 D C 1.322 177.639 176.300 0.029 0.000 1.094 456 D CA -0.045 53.970 54.000 0.025 0.000 0.856 456 D CB 0.033 40.836 40.800 0.006 0.000 0.915 456 D HN 0.176 nan 8.370 nan 0.000 0.517 457 L N 0.188 121.432 121.223 0.034 0.000 2.201 457 L HA -0.112 4.227 4.340 -0.002 0.000 0.212 457 L C 2.361 179.245 176.870 0.023 0.000 1.105 457 L CA 0.642 55.503 54.840 0.035 0.000 0.775 457 L CB -0.222 41.866 42.059 0.049 0.000 0.913 457 L HN 0.145 nan 8.230 nan 0.000 0.440 458 A N -0.505 122.325 122.820 0.017 0.000 2.015 458 A HA -0.151 4.168 4.320 -0.002 0.000 0.219 458 A C 2.320 179.925 177.584 0.035 0.000 1.163 458 A CA 1.931 53.975 52.037 0.012 0.000 0.646 458 A CB -0.665 18.338 19.000 0.006 0.000 0.806 458 A HN 0.363 nan 8.150 nan 0.000 0.448 459 T N 0.301 114.898 114.554 0.072 0.000 2.788 459 T HA -0.182 4.167 4.350 -0.002 0.000 0.268 459 T C 1.974 176.777 174.700 0.172 0.000 1.044 459 T CA 1.701 63.900 62.100 0.165 0.000 1.139 459 T CB -0.255 68.678 68.868 0.109 0.000 0.867 459 T HN 0.651 nan 8.240 nan 0.000 0.454 460 Q N 0.265 120.112 119.800 0.078 0.000 2.124 460 Q HA -0.055 4.284 4.340 -0.002 0.000 0.202 460 Q C 2.566 178.576 176.000 0.016 0.000 0.977 460 Q CA 1.088 56.924 55.803 0.055 0.000 0.850 460 Q CB -0.337 28.421 28.738 0.033 0.000 0.901 460 Q HN 0.382 nan 8.270 nan 0.000 0.429 461 V N 0.725 120.629 119.914 -0.017 0.000 2.323 461 V HA -0.263 3.857 4.120 -0.002 0.000 0.244 461 V C 2.265 178.196 176.094 -0.272 0.000 1.041 461 V CA 1.929 64.183 62.300 -0.078 0.000 1.025 461 V CB -0.609 31.199 31.823 -0.026 0.000 0.656 461 V HN 0.363 nan 8.190 nan 0.000 0.451 462 Q N -0.770 118.880 119.800 -0.250 0.000 2.124 462 Q HA -0.205 4.134 4.340 -0.002 0.000 0.202 462 Q C 1.673 177.221 176.000 -0.754 0.000 0.977 462 Q CA 2.005 57.523 55.803 -0.475 0.000 0.850 462 Q CB -0.050 28.446 28.738 -0.403 0.000 0.901 462 Q HN 0.768 nan 8.270 nan 0.000 0.429 463 Y N -0.870 119.277 120.300 -0.254 0.000 2.524 463 Y HA 0.156 4.705 4.550 -0.002 0.000 0.266 463 Y C -0.542 175.312 175.900 -0.077 0.000 1.180 463 Y CA 0.128 58.132 58.100 -0.159 0.000 1.244 463 Y CB 0.114 38.520 38.460 -0.090 0.000 1.125 463 Y HN 0.228 nan 8.280 nan 0.000 0.524 464 H N -0.652 118.451 119.070 0.055 0.000 2.692 464 H HA -0.171 4.384 4.556 -0.002 0.000 0.316 464 H C -0.789 174.566 175.328 0.044 0.000 1.176 464 H CA 0.221 56.292 56.048 0.038 0.000 1.142 464 H CB -1.923 27.851 29.762 0.019 0.000 1.475 464 H HN 0.263 nan 8.280 nan 0.000 0.423 465 L N 1.331 122.620 121.223 0.109 0.000 2.270 465 L HA 0.296 4.635 4.340 -0.002 0.000 0.286 465 L C -1.971 174.923 176.870 0.040 0.000 1.059 465 L CA -1.916 52.964 54.840 0.067 0.000 0.839 465 L CB 0.819 42.908 42.059 0.050 0.000 1.221 465 L HN -0.058 nan 8.230 nan 0.000 0.431 466 P HA 0.078 nan 4.420 nan 0.000 0.256 466 P C -0.425 176.842 177.300 -0.055 0.000 1.688 466 P CA 0.135 63.228 63.100 -0.011 0.000 1.162 466 P CB 0.367 32.053 31.700 -0.023 0.000 1.870 467 V N 4.676 124.562 119.914 -0.047 0.000 2.612 467 V HA 0.338 4.457 4.120 -0.002 0.000 0.301 467 V C 0.594 176.632 176.094 -0.093 0.000 1.046 467 V CA -0.711 61.544 62.300 -0.076 0.000 0.946 467 V CB 1.871 33.680 31.823 -0.023 0.000 1.003 467 V HN 0.282 nan 8.190 nan 0.000 0.459 468 I N 4.606 125.075 120.570 -0.168 0.000 2.307 468 I HA 0.334 4.503 4.170 -0.002 0.000 0.289 468 I C -0.011 176.128 176.117 0.037 0.000 1.021 468 I CA -0.173 61.059 61.300 -0.114 0.000 1.224 468 I CB 0.528 38.359 38.000 -0.281 0.000 1.376 468 I HN 0.587 nan 8.210 nan 0.000 0.470 469 N N 6.498 125.228 118.700 0.049 0.000 2.419 469 N HA 0.427 5.166 4.740 -0.002 0.000 0.277 469 N C -0.963 174.595 175.510 0.081 0.000 1.006 469 N CA -0.376 52.721 53.050 0.078 0.000 0.923 469 N CB 2.854 41.365 38.487 0.041 0.000 1.140 469 N HN 0.193 nan 8.380 nan 0.000 0.488 470 V N 2.518 122.508 119.914 0.128 0.000 2.443 470 V HA 0.304 4.423 4.120 -0.002 0.000 0.293 470 V C 0.031 176.147 176.094 0.037 0.000 1.021 470 V CA -0.808 61.533 62.300 0.068 0.000 0.848 470 V CB 1.874 33.803 31.823 0.176 0.000 0.998 470 V HN 0.297 nan 8.190 nan 0.000 0.424 471 V N 5.142 124.990 119.914 -0.110 0.000 2.435 471 V HA 0.477 4.596 4.120 -0.002 0.000 0.290 471 V C -0.561 175.439 176.094 -0.158 0.000 1.030 471 V CA -0.408 61.809 62.300 -0.137 0.000 0.881 471 V CB 1.571 33.138 31.823 -0.428 0.000 0.983 471 V HN 0.690 nan 8.190 nan 0.000 0.445 472 F N 2.362 122.267 119.950 -0.075 0.000 2.351 472 F HA 0.333 4.859 4.527 -0.002 0.000 0.362 472 F C 0.992 176.770 175.800 -0.037 0.000 1.131 472 F CA -0.276 57.699 58.000 -0.041 0.000 1.187 472 F CB 0.895 39.876 39.000 -0.033 0.000 1.434 472 F HN 0.357 nan 8.300 nan 0.000 0.553 473 T N 3.107 117.697 114.554 0.060 0.000 2.794 473 T HA 0.101 4.450 4.350 -0.002 0.000 0.304 473 T C 0.954 175.671 174.700 0.029 0.000 0.973 473 T CA -0.494 61.647 62.100 0.068 0.000 0.972 473 T CB 0.033 68.952 68.868 0.084 0.000 0.952 473 T HN 0.508 nan 8.240 nan 0.000 0.509 474 N N 0.378 119.081 118.700 0.005 0.000 2.184 474 N HA 0.033 4.772 4.740 -0.002 0.000 0.206 474 N C 0.472 175.864 175.510 -0.196 0.000 1.151 474 N CA -0.488 52.519 53.050 -0.072 0.000 0.878 474 N CB -0.624 37.828 38.487 -0.058 0.000 1.014 474 N HN 0.567 nan 8.380 nan 0.000 0.512 475 C N 0.605 119.752 119.300 -0.254 0.000 4.274 475 C HA -0.166 4.293 4.460 -0.002 0.000 0.297 475 C C -0.176 174.103 174.990 -1.186 0.000 1.446 475 C CA 0.563 59.234 59.018 -0.578 0.000 2.016 475 C CB -2.941 24.624 27.740 -0.292 0.000 1.273 475 C HN 0.624 nan 8.230 nan 0.000 0.782 476 Q N -2.700 116.443 119.800 -1.097 0.000 2.534 476 Q HA 0.474 4.813 4.340 -0.002 0.000 0.290 476 Q C -1.208 174.583 176.000 -0.348 0.000 0.991 476 Q CA -0.772 54.535 55.803 -0.827 0.000 0.783 476 Q CB 1.312 29.833 28.738 -0.362 0.000 1.470 476 Q HN 0.260 nan 8.270 nan 0.000 0.406 477 Y N 0.775 121.074 120.300 -0.002 0.000 2.880 477 Y HA 0.263 4.812 4.550 -0.002 0.000 0.329 477 Y C 1.168 177.109 175.900 0.068 0.000 1.156 477 Y CA -0.400 57.791 58.100 0.152 0.000 1.348 477 Y CB 0.442 39.030 38.460 0.212 0.000 1.280 477 Y HN 0.946 nan 8.280 nan 0.000 0.516 478 G N 1.169 110.073 108.800 0.174 0.000 2.418 478 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.217 478 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.217 478 G C 1.562 176.569 174.900 0.177 0.000 1.158 478 G CA 0.495 45.658 45.100 0.105 0.000 0.771 478 G HN 0.526 nan 8.290 nan 0.000 0.545 479 F N 1.121 121.105 119.950 0.056 0.000 2.161 479 F HA -0.057 4.469 4.527 -0.001 0.000 0.300 479 F C 2.407 178.239 175.800 0.053 0.000 1.089 479 F CA 0.737 58.762 58.000 0.041 0.000 1.282 479 F CB 0.110 39.126 39.000 0.027 0.000 1.010 479 F HN 0.021 nan 8.300 nan 0.000 0.485 480 I N -0.259 120.422 120.570 0.184 0.000 2.400 480 I HA -0.187 3.982 4.170 -0.002 0.000 0.248 480 I C 2.311 178.487 176.117 0.098 0.000 1.109 480 I CA 0.980 62.345 61.300 0.109 0.000 1.425 480 I CB -1.467 36.618 38.000 0.142 0.000 1.094 480 I HN 0.096 nan 8.210 nan 0.000 0.425 481 K N 1.253 121.710 120.400 0.094 0.000 2.044 481 K HA -0.237 4.082 4.320 -0.002 0.000 0.210 481 K C 1.580 178.237 176.600 0.095 0.000 1.049 481 K CA 2.054 58.359 56.287 0.029 0.000 0.927 481 K CB 0.030 32.429 32.500 -0.168 0.000 0.713 481 K HN 0.199 nan 8.250 nan 0.000 0.443 482 D N 0.501 120.921 120.400 0.034 0.000 2.178 482 D HA -0.123 4.516 4.640 -0.002 0.000 0.202 482 D C 1.657 177.970 176.300 0.022 0.000 0.974 482 D CA 1.052 55.074 54.000 0.037 0.000 0.841 482 D CB -0.027 40.761 40.800 -0.020 0.000 0.953 482 D HN 0.429 nan 8.370 nan 0.000 0.478 483 E N 0.540 120.722 120.200 -0.031 0.000 2.072 483 E HA -0.135 4.214 4.350 -0.002 0.000 0.191 483 E C 2.101 178.728 176.600 0.045 0.000 0.985 483 E CA 0.611 56.990 56.400 -0.035 0.000 0.801 483 E CB -0.052 29.609 29.700 -0.065 0.000 0.750 483 E HN 0.362 nan 8.360 nan 0.000 0.452 484 Q N 0.608 120.485 119.800 0.128 0.000 2.119 484 Q HA -0.195 4.144 4.340 -0.002 0.000 0.201 484 Q C 2.111 178.169 176.000 0.096 0.000 0.972 484 Q CA 0.986 56.874 55.803 0.142 0.000 0.847 484 Q CB -0.036 28.873 28.738 0.285 0.000 0.903 484 Q HN 0.310 nan 8.270 nan 0.000 0.433 485 E N 0.729 121.080 120.200 0.251 0.000 2.085 485 E HA -0.223 4.126 4.350 -0.002 0.000 0.194 485 E C 1.048 177.681 176.600 0.055 0.000 0.994 485 E CA 1.351 57.853 56.400 0.171 0.000 0.801 485 E CB 0.208 30.084 29.700 0.294 0.000 0.743 485 E HN 0.314 nan 8.360 nan 0.000 0.453 486 D N -0.985 119.445 120.400 0.051 0.000 2.194 486 D HA -0.076 4.563 4.640 -0.002 0.000 0.204 486 D C 1.842 178.141 176.300 -0.002 0.000 0.964 486 D CA 1.727 55.739 54.000 0.020 0.000 0.846 486 D CB 0.177 40.981 40.800 0.007 0.000 0.962 486 D HN 0.353 nan 8.370 nan 0.000 0.490 487 T N -3.001 111.549 114.554 -0.008 0.000 2.955 487 T HA 0.118 4.467 4.350 -0.002 0.000 0.251 487 T C 0.664 175.346 174.700 -0.030 0.000 1.002 487 T CA -0.437 61.653 62.100 -0.016 0.000 0.970 487 T CB 0.212 69.074 68.868 -0.010 0.000 1.091 487 T HN -0.213 nan 8.240 nan 0.000 0.495 488 N N 2.074 120.746 118.700 -0.047 0.000 2.472 488 N HA 0.382 5.121 4.740 -0.002 0.000 0.277 488 N C 0.778 176.231 175.510 -0.096 0.000 1.081 488 N CA -0.326 52.684 53.050 -0.066 0.000 0.973 488 N CB 1.420 39.864 38.487 -0.072 0.000 1.105 488 N HN 0.291 nan 8.380 nan 0.000 0.470 489 Q N 0.384 120.141 119.800 -0.073 0.000 2.245 489 Q HA 0.104 4.443 4.340 -0.002 0.000 0.201 489 Q C -0.152 175.794 176.000 -0.090 0.000 0.955 489 Q CA 0.736 56.495 55.803 -0.073 0.000 0.870 489 Q CB 0.258 28.968 28.738 -0.048 0.000 0.945 489 Q HN 0.545 nan 8.270 nan 0.000 0.461 490 N N 0.273 118.918 118.700 -0.092 0.000 2.671 490 N HA 0.112 4.852 4.740 -0.002 0.000 0.303 490 N C -0.729 174.696 175.510 -0.141 0.000 1.277 490 N CA -0.472 52.526 53.050 -0.088 0.000 0.933 490 N CB 0.469 38.926 38.487 -0.049 0.000 1.190 490 N HN -0.080 nan 8.380 nan 0.000 0.600 491 D N -0.256 120.079 120.400 -0.109 0.000 2.357 491 D HA 0.156 4.795 4.640 -0.002 0.000 0.242 491 D C -0.259 175.988 176.300 -0.089 0.000 1.153 491 D CA -0.062 53.854 54.000 -0.140 0.000 0.918 491 D CB 0.299 41.079 40.800 -0.033 0.000 1.181 491 D HN 0.112 nan 8.370 nan 0.000 0.435 492 F N 1.551 121.512 119.950 0.018 0.000 2.623 492 F HA 0.077 4.603 4.527 -0.002 0.000 0.386 492 F C 0.936 176.757 175.800 0.035 0.000 1.068 492 F CA 0.477 58.493 58.000 0.026 0.000 1.265 492 F CB -0.100 38.913 39.000 0.022 0.000 1.026 492 F HN 0.115 nan 8.300 nan 0.000 0.568 493 I N 1.747 122.458 120.570 0.235 0.000 2.607 493 I HA 0.508 4.677 4.170 -0.002 0.000 0.290 493 I C 0.475 176.697 176.117 0.174 0.000 1.129 493 I CA -0.204 61.193 61.300 0.163 0.000 1.042 493 I CB 1.788 39.851 38.000 0.106 0.000 1.242 493 I HN 0.673 nan 8.210 nan 0.000 0.421 494 G N 4.452 113.355 108.800 0.172 0.000 2.168 494 G HA2 -0.271 3.689 3.960 -0.002 0.000 0.263 494 G HA3 -0.271 3.689 3.960 -0.002 0.000 0.263 494 G C 0.505 175.597 174.900 0.321 0.000 0.977 494 G CA 0.689 45.921 45.100 0.220 0.000 0.659 494 G HN 1.312 nan 8.290 nan 0.000 0.533 495 V N -3.111 116.949 119.914 0.242 0.000 3.621 495 V HA 0.585 4.704 4.120 -0.002 0.000 0.285 495 V C 0.412 176.494 176.094 -0.019 0.000 1.346 495 V CA 0.722 63.157 62.300 0.224 0.000 1.104 495 V CB 0.186 32.095 31.823 0.143 0.000 0.913 495 V HN 0.379 nan 8.190 nan 0.000 0.432 496 E N 0.983 121.148 120.200 -0.058 0.000 2.292 496 E HA 0.696 5.045 4.350 -0.002 0.000 0.272 496 E C -1.328 175.202 176.600 -0.116 0.000 0.881 496 E CA -0.605 55.639 56.400 -0.260 0.000 0.754 496 E CB 2.624 32.218 29.700 -0.177 0.000 1.201 496 E HN 0.429 nan 8.360 nan 0.000 0.425 497 F N -0.742 119.138 119.950 -0.118 0.000 2.923 497 F HA 0.523 5.049 4.527 -0.002 0.000 0.323 497 F C -0.584 175.173 175.800 -0.072 0.000 1.189 497 F CA -1.502 56.439 58.000 -0.098 0.000 0.930 497 F CB 0.322 39.227 39.000 -0.158 0.000 1.414 497 F HN 0.116 nan 8.300 nan 0.000 0.496 498 N N 0.716 119.605 118.700 0.314 0.000 2.508 498 N HA 0.171 4.911 4.740 -0.002 0.000 0.264 498 N C -1.233 174.436 175.510 0.265 0.000 1.216 498 N CA 0.004 53.167 53.050 0.189 0.000 0.943 498 N CB 0.394 38.940 38.487 0.098 0.000 1.113 498 N HN 0.821 nan 8.380 nan 0.000 0.447 499 D N 0.566 121.052 120.400 0.142 0.000 2.341 499 D HA 0.280 4.919 4.640 -0.002 0.000 0.245 499 D C -0.659 175.693 176.300 0.087 0.000 1.106 499 D CA -0.079 54.001 54.000 0.132 0.000 0.905 499 D CB 0.519 41.361 40.800 0.070 0.000 1.202 499 D HN 0.307 nan 8.370 nan 0.000 0.426 500 I N 2.710 123.339 120.570 0.098 0.000 2.418 500 I HA 0.135 4.304 4.170 -0.002 0.000 0.287 500 I C -0.563 175.549 176.117 -0.009 0.000 1.008 500 I CA -0.839 60.434 61.300 -0.044 0.000 1.104 500 I CB 1.818 39.703 38.000 -0.190 0.000 1.264 500 I HN 0.420 nan 8.210 nan 0.000 0.438 501 D N 6.308 126.674 120.400 -0.057 0.000 2.435 501 D HA 0.087 4.726 4.640 -0.002 0.000 0.230 501 D C 0.809 177.083 176.300 -0.043 0.000 1.215 501 D CA 0.052 54.054 54.000 0.004 0.000 0.947 501 D CB 0.367 41.160 40.800 -0.012 0.000 1.048 501 D HN 0.307 nan 8.370 nan 0.000 0.512 502 F N 1.301 121.250 119.950 -0.001 0.000 2.408 502 F HA -0.188 4.338 4.527 -0.002 0.000 0.300 502 F C 2.638 178.421 175.800 -0.027 0.000 1.090 502 F CA 0.875 58.870 58.000 -0.009 0.000 1.427 502 F CB -0.020 38.983 39.000 0.004 0.000 1.070 502 F HN 0.358 nan 8.300 nan 0.000 0.549 503 S N -0.578 115.188 115.700 0.110 0.000 2.406 503 S HA -0.127 4.342 4.470 -0.002 0.000 0.228 503 S C 1.840 176.426 174.600 -0.023 0.000 1.020 503 S CA 0.616 58.832 58.200 0.027 0.000 0.965 503 S CB -0.319 62.884 63.200 0.005 0.000 0.798 503 S HN 0.370 nan 8.310 nan 0.000 0.488 504 K N 0.494 120.871 120.400 -0.039 0.000 2.167 504 K HA 0.153 4.472 4.320 -0.002 0.000 0.203 504 K C 1.798 178.340 176.600 -0.097 0.000 1.052 504 K CA 0.695 56.941 56.287 -0.067 0.000 0.956 504 K CB -0.202 32.257 32.500 -0.068 0.000 0.735 504 K HN 0.301 nan 8.250 nan 0.000 0.451 505 I N 1.403 121.896 120.570 -0.128 0.000 2.142 505 I HA -0.227 3.942 4.170 -0.002 0.000 0.240 505 I C 2.497 178.562 176.117 -0.087 0.000 1.078 505 I CA 1.383 62.591 61.300 -0.154 0.000 1.343 505 I CB -1.398 36.433 38.000 -0.282 0.000 1.046 505 I HN 0.080 nan 8.210 nan 0.000 0.405 506 A N 0.402 123.204 122.820 -0.030 0.000 1.908 506 A HA -0.278 4.041 4.320 -0.002 0.000 0.218 506 A C 2.126 179.664 177.584 -0.076 0.000 1.181 506 A CA 2.173 54.192 52.037 -0.029 0.000 0.627 506 A CB -0.789 18.206 19.000 -0.008 0.000 0.818 506 A HN 0.433 nan 8.150 nan 0.000 0.445 507 D N -0.388 119.963 120.400 -0.081 0.000 2.123 507 D HA -0.082 4.557 4.640 -0.002 0.000 0.196 507 D C 2.018 178.234 176.300 -0.139 0.000 0.992 507 D CA 1.652 55.603 54.000 -0.082 0.000 0.833 507 D CB -0.583 40.177 40.800 -0.066 0.000 0.954 507 D HN 0.315 nan 8.370 nan 0.000 0.455 508 G N 0.086 108.786 108.800 -0.167 0.000 2.432 508 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.219 508 G HA3 -0.182 3.777 3.960 -0.002 0.000 0.219 508 G C 1.553 176.186 174.900 -0.444 0.000 1.135 508 G CA 1.331 46.286 45.100 -0.242 0.000 0.767 508 G HN 0.403 nan 8.290 nan 0.000 0.550 509 V N -3.310 116.404 119.914 -0.333 0.000 3.633 509 V HA 0.255 4.374 4.120 -0.002 0.000 0.283 509 V C 0.810 176.728 176.094 -0.294 0.000 1.305 509 V CA 0.153 62.258 62.300 -0.325 0.000 1.153 509 V CB -1.196 30.555 31.823 -0.120 0.000 0.950 509 V HN 0.534 nan 8.190 nan 0.000 0.432 510 H N -0.994 118.058 119.070 -0.029 0.000 2.882 510 H HA -0.145 4.410 4.556 -0.002 0.000 0.314 510 H C -0.097 175.211 175.328 -0.034 0.000 1.270 510 H CA 1.232 57.260 56.048 -0.033 0.000 1.165 510 H CB -1.501 28.244 29.762 -0.028 0.000 1.436 510 H HN 0.727 nan 8.280 nan 0.000 0.431 511 M N 0.546 120.154 119.600 0.014 0.000 2.528 511 M HA 0.297 4.776 4.480 -0.002 0.000 0.321 511 M C -0.120 176.145 176.300 -0.059 0.000 1.153 511 M CA -0.662 54.632 55.300 -0.009 0.000 0.951 511 M CB 1.667 34.258 32.600 -0.014 0.000 1.705 511 M HN 0.122 nan 8.290 nan 0.000 0.451 512 Q N 2.255 122.003 119.800 -0.085 0.000 2.313 512 Q HA 0.526 4.865 4.340 -0.002 0.000 0.266 512 Q C -0.934 174.889 176.000 -0.294 0.000 0.989 512 Q CA -0.010 55.674 55.803 -0.199 0.000 0.890 512 Q CB 1.127 29.759 28.738 -0.176 0.000 1.200 512 Q HN 0.710 nan 8.270 nan 0.000 0.396 513 A N 2.684 125.221 122.820 -0.473 0.000 2.587 513 A HA 0.838 5.157 4.320 -0.002 0.000 0.293 513 A C -1.612 175.566 177.584 -0.678 0.000 1.087 513 A CA -0.627 51.160 52.037 -0.418 0.000 0.692 513 A CB 1.245 20.147 19.000 -0.164 0.000 1.291 513 A HN 0.568 nan 8.150 nan 0.000 0.407 514 F N -0.485 119.437 119.950 -0.046 0.000 2.629 514 F HA 0.833 5.359 4.527 -0.002 0.000 0.316 514 F C 0.060 175.837 175.800 -0.040 0.000 1.081 514 F CA -0.584 57.387 58.000 -0.048 0.000 0.954 514 F CB 2.309 41.261 39.000 -0.080 0.000 1.337 514 F HN 0.625 nan 8.300 nan 0.000 0.474 515 R N 1.410 122.010 120.500 0.166 0.000 2.532 515 R HA 0.817 5.156 4.340 -0.002 0.000 0.297 515 R C -1.989 174.352 176.300 0.068 0.000 0.984 515 R CA -0.626 55.527 56.100 0.088 0.000 0.884 515 R CB 1.584 31.924 30.300 0.066 0.000 1.182 515 R HN 0.631 nan 8.270 nan 0.000 0.442 516 V N 1.636 121.573 119.914 0.038 0.000 3.074 516 V HA 0.688 4.807 4.120 -0.002 0.000 0.314 516 V C -0.167 175.931 176.094 0.006 0.000 1.117 516 V CA -0.116 62.198 62.300 0.024 0.000 1.014 516 V CB 2.203 34.044 31.823 0.029 0.000 1.057 516 V HN 1.072 nan 8.190 nan 0.000 0.438 517 N N -0.592 118.108 118.700 -0.000 0.000 1.842 517 N HA 0.211 4.950 4.740 -0.002 0.000 0.226 517 N C -0.383 175.117 175.510 -0.016 0.000 1.431 517 N CA -0.721 52.322 53.050 -0.012 0.000 0.722 517 N CB 0.654 39.138 38.487 -0.006 0.000 1.040 517 N HN 0.615 nan 8.380 nan 0.000 0.534 518 K N 0.716 121.109 120.400 -0.012 0.000 2.316 518 K HA 0.459 4.778 4.320 -0.002 0.000 0.251 518 K C 0.472 177.062 176.600 -0.017 0.000 0.934 518 K CA -0.743 55.535 56.287 -0.015 0.000 0.802 518 K CB 2.497 34.991 32.500 -0.010 0.000 1.171 518 K HN -0.046 nan 8.250 nan 0.000 0.426 519 I N 2.147 122.703 120.570 -0.025 0.000 2.151 519 I HA -0.350 3.819 4.170 -0.002 0.000 0.243 519 I C 2.305 178.407 176.117 -0.025 0.000 1.080 519 I CA 1.486 62.767 61.300 -0.031 0.000 1.339 519 I CB -0.243 37.736 38.000 -0.034 0.000 1.039 519 I HN 0.753 nan 8.210 nan 0.000 0.409 520 E N 1.499 121.688 120.200 -0.019 0.000 2.331 520 E HA -0.291 4.058 4.350 -0.002 0.000 0.199 520 E C 1.724 178.318 176.600 -0.010 0.000 1.008 520 E CA 1.310 57.700 56.400 -0.016 0.000 0.843 520 E CB -0.526 29.166 29.700 -0.013 0.000 0.761 520 E HN 0.667 nan 8.360 nan 0.000 0.507 521 Q N 0.456 120.253 119.800 -0.005 0.000 2.245 521 Q HA 0.064 4.403 4.340 -0.002 0.000 0.201 521 Q C 2.536 178.545 176.000 0.015 0.000 0.955 521 Q CA 0.647 56.450 55.803 -0.001 0.000 0.870 521 Q CB -0.106 28.633 28.738 0.002 0.000 0.945 521 Q HN 0.292 nan 8.270 nan 0.000 0.461 522 L N 0.776 122.022 121.223 0.038 0.000 1.997 522 L HA -0.226 4.113 4.340 -0.002 0.000 0.216 522 L C -0.642 176.312 176.870 0.139 0.000 1.074 522 L CA 1.643 56.552 54.840 0.116 0.000 0.763 522 L CB -1.860 40.197 42.059 -0.005 0.000 0.890 522 L HN 0.177 nan 8.230 nan 0.000 0.434 523 P HA -0.164 nan 4.420 nan 0.000 0.214 523 P C 0.864 178.189 177.300 0.042 0.000 1.163 523 P CA 1.638 64.759 63.100 0.034 0.000 0.889 523 P CB -0.021 31.678 31.700 -0.001 0.000 0.790 524 D N -1.184 119.214 120.400 -0.003 0.000 2.117 524 D HA -0.112 4.527 4.640 -0.002 0.000 0.198 524 D C 1.939 178.160 176.300 -0.132 0.000 0.982 524 D CA 0.862 54.831 54.000 -0.051 0.000 0.828 524 D CB -0.726 40.037 40.800 -0.061 0.000 0.967 524 D HN -0.114 nan 8.370 nan 0.000 0.464 525 V N 0.224 120.034 119.914 -0.174 0.000 2.287 525 V HA -0.249 3.870 4.120 -0.002 0.000 0.248 525 V C 1.824 177.679 176.094 -0.398 0.000 1.053 525 V CA 1.495 63.529 62.300 -0.443 0.000 1.027 525 V CB -0.497 31.126 31.823 -0.333 0.000 0.646 525 V HN 0.190 nan 8.190 nan 0.000 0.447 526 F N -0.290 119.559 119.950 -0.169 0.000 2.325 526 F HA -0.049 4.477 4.527 -0.001 0.000 0.299 526 F C 2.503 178.271 175.800 -0.053 0.000 1.090 526 F CA 1.097 59.053 58.000 -0.073 0.000 1.392 526 F CB -0.262 38.726 39.000 -0.020 0.000 1.053 526 F HN 0.106 nan 8.300 nan 0.000 0.521 527 E N 0.362 120.610 120.200 0.079 0.000 2.051 527 E HA -0.223 4.126 4.350 -0.002 0.000 0.192 527 E C 2.139 178.731 176.600 -0.013 0.000 0.991 527 E CA 1.317 57.737 56.400 0.033 0.000 0.799 527 E CB -0.399 29.308 29.700 0.012 0.000 0.748 527 E HN 0.537 nan 8.360 nan 0.000 0.449 528 Q N 0.024 119.769 119.800 -0.092 0.000 2.079 528 Q HA -0.078 4.261 4.340 -0.002 0.000 0.200 528 Q C 2.178 178.174 176.000 -0.007 0.000 0.974 528 Q CA 1.374 57.133 55.803 -0.072 0.000 0.840 528 Q CB -0.183 28.437 28.738 -0.196 0.000 0.898 528 Q HN 0.219 nan 8.270 nan 0.000 0.430 529 A N 1.768 124.541 122.820 -0.078 0.000 1.883 529 A HA -0.262 4.057 4.320 -0.002 0.000 0.217 529 A C 2.040 179.625 177.584 0.003 0.000 1.186 529 A CA 1.765 53.801 52.037 -0.002 0.000 0.624 529 A CB -0.545 18.364 19.000 -0.151 0.000 0.822 529 A HN 0.232 nan 8.150 nan 0.000 0.444 530 K N -0.398 120.009 120.400 0.012 0.000 2.063 530 K HA -0.147 4.172 4.320 -0.002 0.000 0.208 530 K C 2.144 178.741 176.600 -0.006 0.000 1.048 530 K CA 1.347 57.643 56.287 0.014 0.000 0.928 530 K CB -0.322 32.215 32.500 0.062 0.000 0.713 530 K HN 0.398 nan 8.250 nan 0.000 0.442 531 A N 1.350 124.178 122.820 0.014 0.000 1.855 531 A HA -0.103 4.216 4.320 -0.002 0.000 0.215 531 A C 2.098 179.702 177.584 0.033 0.000 1.191 531 A CA 1.389 53.438 52.037 0.021 0.000 0.613 531 A CB -0.567 18.458 19.000 0.042 0.000 0.829 531 A HN 0.318 nan 8.150 nan 0.000 0.442 532 I N 0.190 120.798 120.570 0.063 0.000 2.208 532 I HA -0.307 3.862 4.170 -0.002 0.000 0.245 532 I C 2.731 178.870 176.117 0.036 0.000 1.097 532 I CA 1.191 62.541 61.300 0.083 0.000 1.363 532 I CB -0.279 37.783 38.000 0.104 0.000 1.051 532 I HN 0.336 nan 8.210 nan 0.000 0.413 533 A N -0.111 122.701 122.820 -0.014 0.000 2.259 533 A HA -0.161 4.158 4.320 -0.002 0.000 0.212 533 A C 2.059 179.572 177.584 -0.120 0.000 1.178 533 A CA 0.976 52.974 52.037 -0.065 0.000 0.734 533 A CB -0.337 18.596 19.000 -0.110 0.000 0.774 533 A HN 0.405 nan 8.150 nan 0.000 0.481 534 Q N -0.948 118.741 119.800 -0.185 0.000 2.369 534 Q HA -0.084 4.255 4.340 -0.002 0.000 0.206 534 Q C 0.792 176.463 176.000 -0.549 0.000 0.963 534 Q CA 1.641 57.210 55.803 -0.390 0.000 0.894 534 Q CB -0.177 28.222 28.738 -0.565 0.000 0.965 534 Q HN 0.971 nan 8.270 nan 0.000 0.475 535 H N -1.678 117.389 119.070 -0.006 0.000 3.207 535 H HA 0.286 4.841 4.556 -0.002 0.000 0.237 535 H C -0.100 175.236 175.328 0.013 0.000 0.959 535 H CA -0.126 55.920 56.048 -0.003 0.000 1.091 535 H CB 1.055 30.813 29.762 -0.007 0.000 1.447 535 H HN 0.028 nan 8.280 nan 0.000 0.477 536 E N 1.635 121.905 120.200 0.117 0.000 2.336 536 E HA 0.281 4.630 4.350 -0.002 0.000 0.267 536 E C -2.718 173.909 176.600 0.044 0.000 0.906 536 E CA -2.477 53.978 56.400 0.092 0.000 0.781 536 E CB 2.471 32.222 29.700 0.085 0.000 1.261 536 E HN -0.032 nan 8.360 nan 0.000 0.436 537 P HA 0.024 nan 4.420 nan 0.000 0.271 537 P C -0.905 176.396 177.300 0.002 0.000 1.218 537 P CA -0.065 63.041 63.100 0.009 0.000 0.780 537 P CB 1.003 32.712 31.700 0.015 0.000 0.901 538 V N 3.978 123.887 119.914 -0.008 0.000 3.007 538 V HA 0.622 4.741 4.120 -0.002 0.000 0.311 538 V C -1.189 174.902 176.094 -0.005 0.000 1.120 538 V CA -1.136 61.160 62.300 -0.007 0.000 0.980 538 V CB 2.279 34.122 31.823 0.034 0.000 1.033 538 V HN 0.464 nan 8.190 nan 0.000 0.429 539 L N 4.989 126.205 121.223 -0.012 0.000 2.401 539 L HA 0.755 5.094 4.340 -0.002 0.000 0.266 539 L C -1.440 175.443 176.870 0.023 0.000 0.991 539 L CA -0.397 54.446 54.840 0.005 0.000 0.818 539 L CB 1.993 44.063 42.059 0.019 0.000 1.321 539 L HN 0.690 nan 8.230 nan 0.000 0.413 540 I N 3.259 123.824 120.570 -0.008 0.000 2.436 540 I HA 0.346 4.515 4.170 -0.002 0.000 0.289 540 I C -1.048 175.046 176.117 -0.039 0.000 1.010 540 I CA -0.279 61.008 61.300 -0.022 0.000 1.098 540 I CB 1.796 39.665 38.000 -0.219 0.000 1.266 540 I HN 0.430 nan 8.210 nan 0.000 0.434 541 D N 5.962 126.364 120.400 0.003 0.000 2.412 541 D HA 0.510 5.149 4.640 -0.002 0.000 0.224 541 D C -0.539 175.740 176.300 -0.036 0.000 1.093 541 D CA -0.271 53.725 54.000 -0.006 0.000 0.850 541 D CB 1.344 42.197 40.800 0.087 0.000 1.046 541 D HN 0.573 nan 8.370 nan 0.000 0.507 542 A N 4.157 126.904 122.820 -0.122 0.000 2.294 542 A HA 0.428 4.747 4.320 -0.002 0.000 0.316 542 A C -0.097 177.431 177.584 -0.094 0.000 1.359 542 A CA -0.662 51.297 52.037 -0.131 0.000 0.956 542 A CB 0.496 19.330 19.000 -0.278 0.000 1.155 542 A HN 0.404 nan 8.150 nan 0.000 0.544 543 V N 5.545 125.435 119.914 -0.039 0.000 2.405 543 V HA 0.241 4.360 4.120 -0.002 0.000 0.264 543 V C 0.468 176.539 176.094 -0.038 0.000 1.048 543 V CA 0.306 62.594 62.300 -0.020 0.000 0.966 543 V CB -0.483 31.338 31.823 -0.003 0.000 1.015 543 V HN 0.751 nan 8.190 nan 0.000 0.477 544 I N 2.272 122.820 120.570 -0.036 0.000 3.100 544 I HA 0.804 4.973 4.170 -0.002 0.000 0.312 544 I C 0.645 176.727 176.117 -0.058 0.000 1.063 544 I CA -0.672 60.597 61.300 -0.051 0.000 1.031 544 I CB 2.139 40.121 38.000 -0.030 0.000 1.243 544 I HN 0.547 nan 8.210 nan 0.000 0.483 545 T N -0.685 113.821 114.554 -0.080 0.000 2.754 545 T HA 0.373 4.722 4.350 -0.002 0.000 0.286 545 T C 0.801 175.453 174.700 -0.081 0.000 0.997 545 T CA -0.166 61.888 62.100 -0.077 0.000 0.982 545 T CB 0.981 69.803 68.868 -0.077 0.000 1.027 545 T HN 0.939 nan 8.240 nan 0.000 0.529 546 G N 0.391 109.145 108.800 -0.077 0.000 3.678 546 G HA2 0.225 4.184 3.960 -0.002 0.000 0.287 546 G HA3 0.225 4.184 3.960 -0.002 0.000 0.287 546 G C -0.148 174.718 174.900 -0.057 0.000 1.280 546 G CA -0.511 44.539 45.100 -0.082 0.000 1.118 546 G HN 0.735 nan 8.290 nan 0.000 0.563 547 D N 0.595 120.970 120.400 -0.041 0.000 2.350 547 D HA 0.116 4.755 4.640 -0.002 0.000 0.249 547 D C 0.327 176.669 176.300 0.070 0.000 1.119 547 D CA -0.040 53.966 54.000 0.010 0.000 0.886 547 D CB 1.717 42.539 40.800 0.036 0.000 1.195 547 D HN 0.144 nan 8.370 nan 0.000 0.437 548 R N 2.858 123.434 120.500 0.126 0.000 2.347 548 R HA 0.226 4.565 4.340 -0.002 0.000 0.304 548 R C -2.357 174.144 176.300 0.334 0.000 1.072 548 R CA -1.179 55.045 56.100 0.206 0.000 0.980 548 R CB 0.475 30.920 30.300 0.240 0.000 0.986 548 R HN 0.098 nan 8.270 nan 0.000 0.448 549 P HA -0.069 nan 4.420 nan 0.000 0.269 549 P C -0.607 176.717 177.300 0.039 0.000 1.209 549 P CA -0.209 63.045 63.100 0.256 0.000 0.776 549 P CB 0.487 32.326 31.700 0.232 0.000 0.876 550 L N 5.323 126.486 121.223 -0.100 0.000 2.628 550 L HA 0.104 4.443 4.340 -0.002 0.000 0.274 550 L C -1.899 174.783 176.870 -0.312 0.000 1.209 550 L CA -1.157 53.330 54.840 -0.588 0.000 0.930 550 L CB -0.087 41.843 42.059 -0.215 0.000 1.183 550 L HN 0.293 nan 8.230 nan 0.000 0.492 551 P HA 0.084 nan 4.420 nan 0.000 0.273 551 P C 0.064 177.327 177.300 -0.062 0.000 1.428 551 P CA -0.247 62.779 63.100 -0.124 0.000 0.995 551 P CB 1.294 32.956 31.700 -0.063 0.000 1.286 552 A N 4.394 127.172 122.820 -0.070 0.000 2.125 552 A HA -0.158 4.162 4.320 -0.002 0.000 0.219 552 A C 1.750 179.261 177.584 -0.121 0.000 1.156 552 A CA 1.203 53.172 52.037 -0.113 0.000 0.671 552 A CB -0.599 18.298 19.000 -0.171 0.000 0.794 552 A HN 0.541 nan 8.150 nan 0.000 0.459 553 E N 0.125 120.267 120.200 -0.097 0.000 2.479 553 E HA 0.019 4.368 4.350 -0.002 0.000 0.193 553 E C -0.105 176.450 176.600 -0.074 0.000 1.049 553 E CA 0.358 56.699 56.400 -0.098 0.000 0.870 553 E CB -0.054 29.584 29.700 -0.104 0.000 0.944 553 E HN 0.519 nan 8.360 nan 0.000 0.492 554 K N 1.393 121.767 120.400 -0.043 0.000 2.954 554 K HA 0.358 4.677 4.320 -0.002 0.000 0.171 554 K C -0.703 175.855 176.600 -0.071 0.000 1.079 554 K CA -0.289 55.978 56.287 -0.032 0.000 0.908 554 K CB 0.906 33.428 32.500 0.036 0.000 1.142 554 K HN -0.021 nan 8.250 nan 0.000 0.613 555 L N 2.777 123.885 121.223 -0.193 0.000 2.342 555 L HA 0.225 4.564 4.340 -0.002 0.000 0.285 555 L C 0.451 176.890 176.870 -0.717 0.000 1.095 555 L CA -0.401 54.189 54.840 -0.416 0.000 0.843 555 L CB 0.082 42.001 42.059 -0.233 0.000 1.201 555 L HN 0.095 nan 8.230 nan 0.000 0.445 556 R N 5.729 125.359 120.500 -1.450 0.000 3.171 556 R HA 0.285 4.624 4.340 -0.002 0.000 0.241 556 R C 0.308 176.183 176.300 -0.708 0.000 1.421 556 R CA 0.012 55.598 56.100 -0.856 0.000 1.444 556 R CB 0.347 30.294 30.300 -0.589 0.000 1.247 556 R HN 0.740 nan 8.270 nan 0.000 0.636 557 L N -0.856 120.111 121.223 -0.427 0.000 2.758 557 L HA 0.212 4.551 4.340 -0.002 0.000 0.234 557 L C 0.483 177.267 176.870 -0.143 0.000 1.049 557 L CA -0.098 54.611 54.840 -0.220 0.000 0.908 557 L CB 0.341 42.305 42.059 -0.158 0.000 1.362 557 L HN 0.214 nan 8.230 nan 0.000 0.499 558 D N 0.643 120.957 120.400 -0.145 0.000 2.339 558 D HA 0.041 4.680 4.640 -0.002 0.000 0.256 558 D C 1.233 177.480 176.300 -0.089 0.000 1.214 558 D CA 0.216 54.153 54.000 -0.105 0.000 0.877 558 D CB 1.618 42.359 40.800 -0.097 0.000 1.111 558 D HN 0.096 nan 8.370 nan 0.000 0.478 559 S N 2.909 118.566 115.700 -0.073 0.000 2.420 559 S HA -0.222 4.247 4.470 -0.002 0.000 0.237 559 S C 1.665 176.234 174.600 -0.052 0.000 1.023 559 S CA 0.945 59.110 58.200 -0.058 0.000 0.991 559 S CB -0.113 63.057 63.200 -0.050 0.000 0.792 559 S HN 0.502 nan 8.310 nan 0.000 0.488 560 A N 0.180 122.968 122.820 -0.053 0.000 2.307 560 A HA 0.528 4.847 4.320 -0.002 0.000 0.218 560 A C 1.718 179.274 177.584 -0.047 0.000 1.228 560 A CA 0.128 52.138 52.037 -0.045 0.000 0.857 560 A CB -0.388 18.588 19.000 -0.040 0.000 0.897 560 A HN 0.574 nan 8.150 nan 0.000 0.495 561 M N -1.534 118.031 119.600 -0.058 0.000 2.198 561 M HA 0.177 4.656 4.480 -0.002 0.000 0.326 561 M C -0.381 175.879 176.300 -0.066 0.000 0.924 561 M CA 0.300 55.563 55.300 -0.061 0.000 1.118 561 M CB 0.927 33.483 32.600 -0.072 0.000 1.947 561 M HN 0.154 nan 8.290 nan 0.000 0.662 562 S N 0.526 116.182 115.700 -0.072 0.000 2.599 562 S HA 0.559 5.028 4.470 -0.002 0.000 0.287 562 S C -0.189 174.380 174.600 -0.053 0.000 1.105 562 S CA -0.934 57.223 58.200 -0.072 0.000 0.899 562 S CB 2.043 65.176 63.200 -0.110 0.000 1.100 562 S HN 0.330 nan 8.310 nan 0.000 0.482 563 S N 0.911 116.588 115.700 -0.039 0.000 2.601 563 S HA 0.580 5.049 4.470 -0.002 0.000 0.271 563 S C 1.365 175.952 174.600 -0.021 0.000 1.305 563 S CA -0.293 57.891 58.200 -0.026 0.000 1.022 563 S CB 0.917 64.107 63.200 -0.017 0.000 0.940 563 S HN 0.950 nan 8.310 nan 0.000 0.525 564 A N 2.279 125.090 122.820 -0.016 0.000 1.948 564 A HA -0.007 4.312 4.320 -0.002 0.000 0.220 564 A C 2.340 179.926 177.584 0.004 0.000 1.177 564 A CA 2.059 54.091 52.037 -0.008 0.000 0.636 564 A CB -1.616 17.379 19.000 -0.008 0.000 0.815 564 A HN 1.348 nan 8.150 nan 0.000 0.449 565 A N -0.227 122.596 122.820 0.005 0.000 1.898 565 A HA -0.134 4.185 4.320 -0.002 0.000 0.216 565 A C 1.785 179.386 177.584 0.028 0.000 1.181 565 A CA 1.730 53.776 52.037 0.014 0.000 0.620 565 A CB -0.491 18.514 19.000 0.009 0.000 0.819 565 A HN 0.470 nan 8.150 nan 0.000 0.442 566 D N 0.220 120.633 120.400 0.021 0.000 2.097 566 D HA -0.116 4.523 4.640 -0.002 0.000 0.195 566 D C 1.893 178.235 176.300 0.070 0.000 0.989 566 D CA 1.191 55.215 54.000 0.039 0.000 0.827 566 D CB -0.374 40.428 40.800 0.003 0.000 0.966 566 D HN 0.514 nan 8.370 nan 0.000 0.456 567 I N 1.200 121.787 120.570 0.028 0.000 2.179 567 I HA -0.223 3.946 4.170 -0.002 0.000 0.242 567 I C 2.301 178.489 176.117 0.118 0.000 1.088 567 I CA 1.009 62.336 61.300 0.044 0.000 1.357 567 I CB -0.127 37.867 38.000 -0.010 0.000 1.051 567 I HN -0.095 nan 8.210 nan 0.000 0.409 568 E N 1.066 121.311 120.200 0.075 0.000 2.047 568 E HA -0.173 4.176 4.350 -0.002 0.000 0.191 568 E C 2.341 178.990 176.600 0.082 0.000 0.987 568 E CA 1.491 57.932 56.400 0.069 0.000 0.799 568 E CB -0.493 29.229 29.700 0.037 0.000 0.752 568 E HN 0.477 nan 8.360 nan 0.000 0.449 569 A N 0.648 123.518 122.820 0.082 0.000 1.940 569 A HA -0.180 4.139 4.320 -0.002 0.000 0.219 569 A C 2.118 179.752 177.584 0.084 0.000 1.176 569 A CA 1.263 53.338 52.037 0.062 0.000 0.631 569 A CB -0.778 18.257 19.000 0.059 0.000 0.814 569 A HN 0.259 nan 8.150 nan 0.000 0.446 570 F N 0.631 120.595 119.950 0.023 0.000 2.051 570 F HA -0.130 4.396 4.527 -0.001 0.000 0.296 570 F C 2.258 178.121 175.800 0.104 0.000 1.122 570 F CA 2.180 60.241 58.000 0.103 0.000 1.201 570 F CB -0.170 38.908 39.000 0.130 0.000 0.978 570 F HN 0.088 nan 8.300 nan 0.000 0.472 571 K N -0.202 120.358 120.400 0.267 0.000 2.063 571 K HA -0.240 4.079 4.320 -0.002 0.000 0.208 571 K C 2.055 178.668 176.600 0.021 0.000 1.048 571 K CA 1.987 58.355 56.287 0.136 0.000 0.928 571 K CB -0.357 32.221 32.500 0.129 0.000 0.713 571 K HN 0.448 nan 8.250 nan 0.000 0.442 572 Q N 0.149 119.947 119.800 -0.003 0.000 2.050 572 Q HA -0.135 4.204 4.340 -0.002 0.000 0.202 572 Q C 2.225 178.152 176.000 -0.121 0.000 0.980 572 Q CA 1.328 57.106 55.803 -0.041 0.000 0.840 572 Q CB -0.073 28.646 28.738 -0.032 0.000 0.898 572 Q HN 0.210 nan 8.270 nan 0.000 0.424 573 R N -0.389 119.957 120.500 -0.257 0.000 2.075 573 R HA -0.134 4.205 4.340 -0.002 0.000 0.232 573 R C 0.884 176.842 176.300 -0.569 0.000 1.126 573 R CA 1.271 57.075 56.100 -0.492 0.000 0.963 573 R CB 0.106 29.928 30.300 -0.796 0.000 0.858 573 R HN 0.286 nan 8.270 nan 0.000 0.435 574 Y N 0.637 120.831 120.300 -0.177 0.000 2.468 574 Y HA 0.213 4.762 4.550 -0.002 0.000 0.268 574 Y C -0.135 175.779 175.900 0.023 0.000 1.177 574 Y CA -0.153 57.870 58.100 -0.128 0.000 1.265 574 Y CB 0.208 38.454 38.460 -0.357 0.000 1.103 574 Y HN 0.141 nan 8.280 nan 0.000 0.522 575 E N -0.747 119.515 120.200 0.102 0.000 2.440 575 E HA -0.262 4.087 4.350 -0.002 0.000 0.246 575 E C 0.662 177.397 176.600 0.224 0.000 1.165 575 E CA 0.399 56.882 56.400 0.138 0.000 0.726 575 E CB -1.207 28.573 29.700 0.135 0.000 1.271 575 E HN 0.481 nan 8.360 nan 0.000 0.397 576 A N 0.314 123.191 122.820 0.095 0.000 2.577 576 A HA 0.161 4.480 4.320 -0.002 0.000 0.280 576 A C 1.473 179.053 177.584 -0.005 0.000 1.331 576 A CA -0.140 51.845 52.037 -0.087 0.000 0.935 576 A CB 0.226 19.116 19.000 -0.184 0.000 1.082 576 A HN 0.143 nan 8.150 nan 0.000 0.525 577 Q N 0.453 120.282 119.800 0.048 0.000 2.152 577 Q HA -0.161 4.178 4.340 -0.002 0.000 0.206 577 Q C 0.578 176.600 176.000 0.037 0.000 0.985 577 Q CA 1.938 57.768 55.803 0.045 0.000 0.863 577 Q CB -0.041 28.723 28.738 0.043 0.000 0.904 577 Q HN 0.556 nan 8.270 nan 0.000 0.422 578 D N -0.779 119.648 120.400 0.044 0.000 2.328 578 D HA 0.084 4.723 4.640 -0.002 0.000 0.221 578 D C -0.196 176.131 176.300 0.046 0.000 1.072 578 D CA 0.101 54.131 54.000 0.049 0.000 0.850 578 D CB 0.209 41.051 40.800 0.069 0.000 0.922 578 D HN 0.227 nan 8.370 nan 0.000 0.516 579 L N 1.219 122.444 121.223 0.003 0.000 2.397 579 L HA 0.139 4.478 4.340 -0.002 0.000 0.271 579 L C 0.540 177.431 176.870 0.035 0.000 1.148 579 L CA -0.070 54.779 54.840 0.014 0.000 0.825 579 L CB 0.842 42.860 42.059 -0.069 0.000 1.117 579 L HN -0.241 nan 8.230 nan 0.000 0.456 580 Q N 4.075 123.920 119.800 0.074 0.000 2.337 580 Q HA 0.449 4.788 4.340 -0.002 0.000 0.266 580 Q C -2.323 173.674 176.000 -0.004 0.000 1.023 580 Q CA -1.914 53.880 55.803 -0.015 0.000 0.829 580 Q CB 2.223 30.889 28.738 -0.121 0.000 1.306 580 Q HN 0.310 nan 8.270 nan 0.000 0.449 581 P HA -0.019 nan 4.420 nan 0.000 0.272 581 P C 0.804 178.078 177.300 -0.044 0.000 1.223 581 P CA -0.336 62.727 63.100 -0.062 0.000 0.784 581 P CB 0.925 32.571 31.700 -0.091 0.000 0.923 582 L N 3.019 124.259 121.223 0.028 0.000 2.263 582 L HA -0.218 4.121 4.340 -0.002 0.000 0.216 582 L C 2.320 179.224 176.870 0.057 0.000 1.111 582 L CA 2.362 57.268 54.840 0.111 0.000 0.773 582 L CB -1.427 40.656 42.059 0.040 0.000 0.906 582 L HN 0.437 nan 8.230 nan 0.000 0.439 583 S N -2.666 113.023 115.700 -0.019 0.000 2.382 583 S HA -0.215 4.254 4.470 -0.002 0.000 0.228 583 S C 1.867 176.422 174.600 -0.075 0.000 1.027 583 S CA 1.611 59.796 58.200 -0.024 0.000 0.991 583 S CB -1.295 61.878 63.200 -0.044 0.000 0.823 583 S HN 0.536 nan 8.310 nan 0.000 0.469 584 T N 1.303 115.726 114.554 -0.219 0.000 2.720 584 T HA -0.087 4.263 4.350 -0.002 0.000 0.268 584 T C 1.430 175.950 174.700 -0.299 0.000 1.037 584 T CA 1.792 63.682 62.100 -0.351 0.000 1.144 584 T CB -0.515 67.986 68.868 -0.612 0.000 0.864 584 T HN 0.549 nan 8.240 nan 0.000 0.444 585 Y N 0.883 121.217 120.300 0.057 0.000 2.286 585 Y HA 0.219 4.769 4.550 -0.001 0.000 0.293 585 Y C 2.226 178.264 175.900 0.230 0.000 1.124 585 Y CA -0.185 58.001 58.100 0.143 0.000 1.178 585 Y CB -0.787 37.728 38.460 0.092 0.000 1.010 585 Y HN 0.123 nan 8.280 nan 0.000 0.536 586 L N 0.025 121.412 121.223 0.272 0.000 2.012 586 L HA -0.281 4.058 4.340 -0.002 0.000 0.210 586 L C 2.272 179.258 176.870 0.194 0.000 1.073 586 L CA 1.747 56.734 54.840 0.245 0.000 0.748 586 L CB -0.570 41.597 42.059 0.180 0.000 0.891 586 L HN 0.182 nan 8.230 nan 0.000 0.431 587 K N -0.234 120.223 120.400 0.094 0.000 2.032 587 K HA -0.233 4.086 4.320 -0.002 0.000 0.209 587 K C 2.120 178.723 176.600 0.005 0.000 1.048 587 K CA 1.435 57.744 56.287 0.036 0.000 0.927 587 K CB -0.212 32.278 32.500 -0.017 0.000 0.712 587 K HN 0.323 nan 8.250 nan 0.000 0.441 588 Q N -0.430 119.349 119.800 -0.036 0.000 2.197 588 Q HA -0.138 4.201 4.340 -0.002 0.000 0.207 588 Q C 0.711 176.444 176.000 -0.445 0.000 0.984 588 Q CA 1.311 56.967 55.803 -0.245 0.000 0.869 588 Q CB 0.015 28.549 28.738 -0.340 0.000 0.906 588 Q HN 0.259 nan 8.270 nan 0.000 0.426 589 F N -0.991 119.004 119.950 0.075 0.000 2.750 589 F HA 0.305 4.831 4.527 -0.002 0.000 0.297 589 F C 1.110 176.956 175.800 0.076 0.000 1.138 589 F CA 0.192 58.239 58.000 0.079 0.000 1.346 589 F CB 0.762 39.820 39.000 0.096 0.000 0.965 589 F HN 0.037 nan 8.300 nan 0.000 0.514 590 G N 0.881 109.755 108.800 0.123 0.000 2.179 590 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.257 590 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.257 590 G C 0.098 175.067 174.900 0.115 0.000 1.010 590 G CA 0.044 45.202 45.100 0.096 0.000 0.736 590 G HN 0.348 nan 8.290 nan 0.000 0.513 591 L N -0.099 121.213 121.223 0.148 0.000 2.358 591 L HA 0.535 4.874 4.340 -0.002 0.000 0.268 591 L C 0.346 177.275 176.870 0.098 0.000 1.032 591 L CA -1.116 53.806 54.840 0.137 0.000 0.805 591 L CB 0.858 43.036 42.059 0.198 0.000 1.253 591 L HN 0.066 nan 8.230 nan 0.000 0.452 592 D N -0.239 120.206 120.400 0.075 0.000 2.478 592 D HA 0.276 4.915 4.640 -0.002 0.000 0.263 592 D C -0.987 175.349 176.300 0.060 0.000 1.153 592 D CA -0.275 53.755 54.000 0.051 0.000 1.038 592 D CB 1.972 42.790 40.800 0.029 0.000 1.120 592 D HN 0.481 nan 8.370 nan 0.000 0.564 593 D N 0.000 120.424 120.400 0.039 0.000 6.856 593 D HA 0.000 4.639 4.640 -0.002 0.000 0.175 593 D CA 0.000 54.024 54.000 0.040 0.000 0.868 593 D CB 0.000 40.815 40.800 0.025 0.000 0.688 593 D HN 0.000 nan 8.370 nan 0.000 0.683