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 2dfp_1_A DATA FIRST_RESID 2 DATA SEQUENCE DHSELLVNTK SGKVMGTRVP VLSSHISAFL GIPFAEPPVG NMRFRRPEPK DATA SEQUENCE KPWSGVWNAS TYPNNcQQYV DEQFPGFSGS EMWNPNREMS EDcLYLNIWV DATA SEQUENCE PSPRPKSTTV MVWIYGGGFY SGSSTLDVYN GKYLAYTEEV VLVSLSYRVG DATA SEQUENCE AFGFLALHGS QEAPGNVGLL DQRMALQWVH DNIQFFGGDP KTVTIFGEXA DATA SEQUENCE GGASVGMHIL SPGSRDLFRR AILQSGSPNC PWASVSVAEG RRRAVELGRN DATA SEQUENCE LNcNLNSDEE LIHcLREKKP QELIDVEWNV LPFDSIFRFS FVPVIDGEFF DATA SEQUENCE PTSLESMLNS GNFKKTQILL GVNKDEGSFF LLYGAPGFSK DSESKISRED DATA SEQUENCE FMSGVKLSVP HANDLGLDAV TLQYTDWMDD NNGIKNRDGL DDIVGDHNVI DATA SEQUENCE cPLMHFVNKY TKFGNGTYLY FFNHRASNLV WPEWMGVIHG YEIEFVFGLP DATA SEQUENCE LVKELNYTAE EEALSRRIMH YWATFAKTGN PNEPHSQESK WPLFTTKEQK DATA SEQUENCE FIDLNTEPMK VHQRLRVQMc VFWNQFLPKL LNAT 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.038 176.300 -0.437 0.000 2.045 2 D CA 0.000 53.831 54.000 -0.282 0.000 0.868 2 D CB 0.000 40.579 40.800 -0.369 0.000 0.688 3 H N 0.709 119.790 119.070 0.019 0.000 6.315 3 H HA 0.294 4.850 4.556 -0.001 0.000 0.890 3 H C -1.287 174.057 175.328 0.028 0.000 1.975 3 H CA 0.254 56.313 56.048 0.020 0.000 1.396 3 H CB -1.228 28.542 29.762 0.013 0.000 4.696 3 H HN 0.498 nan 8.280 nan 0.000 0.696 4 S N 0.938 116.729 115.700 0.153 0.000 2.614 4 S HA 0.198 4.668 4.470 -0.001 0.000 0.280 4 S C 0.851 175.521 174.600 0.117 0.000 1.111 4 S CA -0.073 58.191 58.200 0.107 0.000 0.847 4 S CB 1.868 65.115 63.200 0.078 0.000 1.079 4 S HN 0.585 nan 8.310 nan 0.000 0.452 5 E N 1.568 121.831 120.200 0.106 0.000 2.209 5 E HA -0.080 4.270 4.350 -0.001 0.000 0.196 5 E C 1.097 177.822 176.600 0.207 0.000 0.993 5 E CA 1.514 57.997 56.400 0.139 0.000 0.819 5 E CB -0.184 29.584 29.700 0.113 0.000 0.745 5 E HN 0.709 nan 8.360 nan 0.000 0.477 6 L N 0.760 122.073 121.223 0.150 0.000 2.592 6 L HA 0.160 4.500 4.340 -0.001 0.000 0.227 6 L C 0.545 177.596 176.870 0.302 0.000 1.127 6 L CA -0.288 54.632 54.840 0.133 0.000 0.884 6 L CB 0.335 42.373 42.059 -0.035 0.000 1.065 6 L HN 0.187 nan 8.230 nan 0.000 0.457 7 L N 1.606 122.974 121.223 0.242 0.000 2.287 7 L HA 0.511 4.851 4.340 -0.001 0.000 0.287 7 L C -0.896 176.061 176.870 0.145 0.000 1.022 7 L CA -0.081 54.885 54.840 0.210 0.000 0.814 7 L CB 1.695 43.823 42.059 0.114 0.000 1.217 7 L HN -0.266 nan 8.230 nan 0.000 0.420 8 V N 4.947 124.916 119.914 0.092 0.000 2.588 8 V HA 0.397 4.517 4.120 -0.001 0.000 0.304 8 V C -0.311 175.703 176.094 -0.133 0.000 1.042 8 V CA -0.891 61.297 62.300 -0.186 0.000 0.877 8 V CB 2.275 33.618 31.823 -0.799 0.000 0.996 8 V HN 0.787 nan 8.190 nan 0.000 0.425 9 N N 2.605 121.183 118.700 -0.205 0.000 2.419 9 N HA 0.629 5.369 4.740 -0.001 0.000 0.277 9 N C -0.322 174.907 175.510 -0.468 0.000 1.006 9 N CA -0.112 52.796 53.050 -0.237 0.000 0.923 9 N CB 1.622 39.962 38.487 -0.245 0.000 1.140 9 N HN 0.911 nan 8.380 nan 0.000 0.488 10 T N -0.205 114.170 114.554 -0.299 0.000 2.926 10 T HA 0.377 4.727 4.350 -0.001 0.000 0.289 10 T C 0.843 175.332 174.700 -0.353 0.000 1.054 10 T CA -0.702 61.210 62.100 -0.313 0.000 1.015 10 T CB 1.144 70.108 68.868 0.159 0.000 1.167 10 T HN 0.408 nan 8.240 nan 0.000 0.526 11 K N 0.429 120.655 120.400 -0.289 0.000 2.520 11 K HA 0.001 4.321 4.320 -0.001 0.000 0.197 11 K C 1.548 178.012 176.600 -0.226 0.000 1.043 11 K CA 0.823 56.975 56.287 -0.225 0.000 0.944 11 K CB -0.103 32.322 32.500 -0.124 0.000 0.770 11 K HN 0.415 nan 8.250 nan 0.000 0.480 12 S N -0.486 115.066 115.700 -0.247 0.000 2.539 12 S HA 0.221 4.690 4.470 -0.001 0.000 0.221 12 S C 0.253 174.136 174.600 -1.196 0.000 0.987 12 S CA 0.234 58.145 58.200 -0.483 0.000 0.929 12 S CB 1.077 64.178 63.200 -0.166 0.000 0.832 12 S HN 0.569 nan 8.310 nan 0.000 0.492 13 G N 1.191 109.529 108.800 -0.770 0.000 2.353 13 G HA2 0.059 4.019 3.960 -0.001 0.000 0.424 13 G HA3 0.059 4.019 3.960 -0.001 0.000 0.424 13 G C -1.738 173.126 174.900 -0.062 0.000 1.320 13 G CA -1.151 43.495 45.100 -0.757 0.000 0.995 13 G HN 0.148 nan 8.290 nan 0.000 0.580 14 K N -0.530 120.001 120.400 0.218 0.000 2.144 14 K HA 0.647 4.967 4.320 -0.001 0.000 0.270 14 K C 0.304 177.267 176.600 0.604 0.000 1.005 14 K CA -0.452 56.023 56.287 0.314 0.000 0.932 14 K CB 1.931 34.546 32.500 0.191 0.000 1.021 14 K HN 1.154 nan 8.250 nan 0.000 0.462 15 V N -0.426 119.778 119.914 0.484 0.000 2.876 15 V HA 0.632 4.752 4.120 -0.001 0.000 0.312 15 V C -1.051 175.322 176.094 0.465 0.000 1.085 15 V CA -1.137 61.496 62.300 0.554 0.000 0.945 15 V CB 1.814 34.033 31.823 0.659 0.000 1.017 15 V HN 0.750 nan 8.190 nan 0.000 0.428 16 M N 4.256 124.093 119.600 0.395 0.000 2.125 16 M HA 0.831 5.311 4.480 -0.001 0.000 0.321 16 M C 0.255 176.650 176.300 0.159 0.000 0.983 16 M CA 0.061 55.516 55.300 0.259 0.000 0.934 16 M CB 0.708 33.385 32.600 0.127 0.000 1.542 16 M HN 1.167 nan 8.290 nan 0.000 0.424 17 G N 1.811 110.577 108.800 -0.057 0.000 2.494 17 G HA2 0.567 4.527 3.960 -0.001 0.000 0.270 17 G HA3 0.567 4.527 3.960 -0.001 0.000 0.270 17 G C -0.988 173.683 174.900 -0.382 0.000 1.423 17 G CA -0.285 44.413 45.100 -0.670 0.000 1.055 17 G HN 0.681 nan 8.290 nan 0.000 0.536 18 T N -1.420 112.878 114.554 -0.426 0.000 2.982 18 T HA 0.471 4.821 4.350 -0.001 0.000 0.321 18 T C -0.745 173.840 174.700 -0.192 0.000 1.229 18 T CA -0.650 61.310 62.100 -0.233 0.000 1.044 18 T CB 1.467 70.219 68.868 -0.193 0.000 1.184 18 T HN 0.579 nan 8.240 nan 0.000 0.477 19 R N 2.413 122.854 120.500 -0.099 0.000 2.340 19 R HA 0.654 4.994 4.340 -0.001 0.000 0.300 19 R C -0.454 175.862 176.300 0.027 0.000 1.069 19 R CA -0.427 55.660 56.100 -0.022 0.000 0.984 19 R CB 0.506 30.803 30.300 -0.006 0.000 1.003 19 R HN 0.493 nan 8.270 nan 0.000 0.459 20 V N 2.633 122.586 119.914 0.065 0.000 2.735 20 V HA 0.702 4.822 4.120 -0.001 0.000 0.310 20 V C -2.610 173.482 176.094 -0.002 0.000 1.061 20 V CA -2.627 59.699 62.300 0.043 0.000 0.913 20 V CB 1.895 33.736 31.823 0.030 0.000 1.005 20 V HN 0.780 nan 8.190 nan 0.000 0.428 21 P HA 0.467 nan 4.420 nan 0.000 0.278 21 P C -0.989 176.111 177.300 -0.332 0.000 1.238 21 P CA -0.207 62.647 63.100 -0.409 0.000 0.794 21 P CB 1.662 33.170 31.700 -0.320 0.000 0.955 22 V N 3.144 122.794 119.914 -0.440 0.000 2.653 22 V HA 0.130 4.249 4.120 -0.001 0.000 0.298 22 V C 0.592 176.389 176.094 -0.496 0.000 1.097 22 V CA -0.933 61.094 62.300 -0.454 0.000 0.908 22 V CB 1.296 32.759 31.823 -0.600 0.000 1.024 22 V HN 0.481 nan 8.190 nan 0.000 0.435 23 L N 4.101 125.188 121.223 -0.227 0.000 3.965 23 L HA -0.298 4.042 4.340 -0.001 0.000 0.476 23 L C 1.312 178.055 176.870 -0.212 0.000 1.201 23 L CA 1.047 55.787 54.840 -0.167 0.000 0.710 23 L CB -1.289 40.703 42.059 -0.111 0.000 1.509 23 L HN 1.558 nan 8.230 nan 0.000 0.815 24 S N -3.147 112.435 115.700 -0.196 0.000 3.261 24 S HA -0.246 4.223 4.470 -0.001 0.000 0.287 24 S C 0.299 174.807 174.600 -0.153 0.000 1.281 24 S CA 1.501 59.614 58.200 -0.145 0.000 1.053 24 S CB -0.954 62.215 63.200 -0.051 0.000 1.251 24 S HN 0.922 nan 8.310 nan 0.000 0.659 25 S N -0.618 114.899 115.700 -0.304 0.000 3.081 25 S HA 0.886 5.355 4.470 -0.001 0.000 0.316 25 S C -1.055 173.336 174.600 -0.347 0.000 1.089 25 S CA -0.230 57.883 58.200 -0.146 0.000 0.897 25 S CB 1.219 64.402 63.200 -0.029 0.000 1.358 25 S HN 0.733 nan 8.310 nan 0.000 0.678 26 H N -0.494 118.553 119.070 -0.039 0.000 3.016 26 H HA 0.716 5.272 4.556 -0.001 0.000 0.362 26 H C -0.563 174.802 175.328 0.062 0.000 1.233 26 H CA -0.298 55.738 56.048 -0.020 0.000 1.124 26 H CB 1.440 31.203 29.762 0.002 0.000 1.850 26 H HN 0.722 nan 8.280 nan 0.000 0.549 27 I N -2.312 118.367 120.570 0.183 0.000 3.354 27 I HA 0.745 4.915 4.170 -0.001 0.000 0.316 27 I C -1.089 175.125 176.117 0.161 0.000 1.182 27 I CA -0.989 60.435 61.300 0.208 0.000 0.942 27 I CB 2.461 40.616 38.000 0.258 0.000 1.299 27 I HN 0.408 nan 8.210 nan 0.000 0.473 28 S N 1.139 116.941 115.700 0.170 0.000 2.608 28 S HA 0.874 5.344 4.470 -0.001 0.000 0.291 28 S C -0.386 174.220 174.600 0.009 0.000 1.146 28 S CA -0.520 57.704 58.200 0.040 0.000 1.043 28 S CB 1.575 64.844 63.200 0.114 0.000 1.037 28 S HN 0.904 nan 8.310 nan 0.000 0.520 29 A N 1.857 124.501 122.820 -0.293 0.000 2.427 29 A HA 0.759 5.078 4.320 -0.001 0.000 0.298 29 A C -1.530 175.724 177.584 -0.551 0.000 1.036 29 A CA -0.648 51.161 52.037 -0.381 0.000 0.701 29 A CB 0.577 19.322 19.000 -0.424 0.000 1.250 29 A HN 0.620 nan 8.150 nan 0.000 0.412 30 F N 2.681 122.516 119.950 -0.191 0.000 2.382 30 F HA 0.563 5.089 4.527 -0.001 0.000 0.361 30 F C -0.111 175.571 175.800 -0.195 0.000 1.109 30 F CA -0.428 57.538 58.000 -0.057 0.000 1.031 30 F CB 1.381 40.478 39.000 0.162 0.000 1.234 30 F HN 0.373 nan 8.300 nan 0.000 0.445 31 L N 1.904 123.087 121.223 -0.066 0.000 2.334 31 L HA 0.759 5.099 4.340 -0.001 0.000 0.273 31 L C 0.891 177.788 176.870 0.045 0.000 1.013 31 L CA -1.235 53.547 54.840 -0.098 0.000 0.816 31 L CB 1.745 43.649 42.059 -0.260 0.000 1.278 31 L HN 0.804 nan 8.230 nan 0.000 0.431 32 G N 2.510 111.362 108.800 0.087 0.000 2.295 32 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.287 32 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.287 32 G C -0.142 174.870 174.900 0.187 0.000 1.055 32 G CA -0.238 44.917 45.100 0.093 0.000 0.922 32 G HN 0.458 nan 8.290 nan 0.000 0.503 33 I N 2.100 122.701 120.570 0.052 0.000 2.416 33 I HA 0.230 4.399 4.170 -0.001 0.000 0.288 33 I C -1.371 174.548 176.117 -0.330 0.000 1.051 33 I CA -2.113 59.032 61.300 -0.258 0.000 1.375 33 I CB 1.225 39.034 38.000 -0.319 0.000 1.407 33 I HN 0.018 nan 8.210 nan 0.000 0.516 34 P HA 0.088 nan 4.420 nan 0.000 0.280 34 P C -0.379 176.538 177.300 -0.639 0.000 1.244 34 P CA -0.082 62.510 63.100 -0.846 0.000 0.784 34 P CB 0.726 31.863 31.700 -0.939 0.000 0.913 35 F N 0.645 120.249 119.950 -0.577 0.000 2.746 35 F HA 0.752 5.278 4.527 -0.001 0.000 0.320 35 F C 0.001 175.692 175.800 -0.182 0.000 1.097 35 F CA -0.892 56.857 58.000 -0.418 0.000 1.195 35 F CB 0.122 38.878 39.000 -0.407 0.000 1.056 35 F HN 0.370 nan 8.300 nan 0.000 0.562 36 A N -0.144 122.358 122.820 -0.530 0.000 2.610 36 A HA 0.591 4.911 4.320 -0.001 0.000 0.291 36 A C -0.889 176.512 177.584 -0.304 0.000 1.086 36 A CA -0.827 51.026 52.037 -0.306 0.000 0.677 36 A CB 1.005 19.804 19.000 -0.335 0.000 1.278 36 A HN 0.046 nan 8.150 nan 0.000 0.414 37 E N 0.576 120.684 120.200 -0.153 0.000 2.404 37 E HA 0.282 4.632 4.350 -0.001 0.000 0.261 37 E C -2.329 174.173 176.600 -0.164 0.000 1.074 37 E CA -1.351 54.978 56.400 -0.119 0.000 0.917 37 E CB 0.031 29.704 29.700 -0.045 0.000 0.965 37 E HN 0.236 nan 8.360 nan 0.000 0.433 38 P HA 0.033 nan 4.420 nan 0.000 0.267 38 P C -2.174 175.069 177.300 -0.096 0.000 1.209 38 P CA -0.714 62.315 63.100 -0.118 0.000 0.763 38 P CB 0.124 31.793 31.700 -0.051 0.000 0.816 39 P HA 0.014 nan 4.420 nan 0.000 0.218 39 P C -0.264 176.981 177.300 -0.092 0.000 1.793 39 P CA 0.096 63.144 63.100 -0.087 0.000 0.941 39 P CB -0.059 31.590 31.700 -0.085 0.000 1.919 40 V N -2.613 117.255 119.914 -0.077 0.000 3.193 40 V HA 0.883 5.002 4.120 -0.001 0.000 0.320 40 V C 1.053 177.109 176.094 -0.064 0.000 1.112 40 V CA 0.160 62.414 62.300 -0.077 0.000 1.026 40 V CB 0.657 32.444 31.823 -0.060 0.000 1.128 40 V HN 0.527 nan 8.190 nan 0.000 0.452 41 G N 1.692 110.454 108.800 -0.063 0.000 2.629 41 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.313 41 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.313 41 G C 0.613 175.483 174.900 -0.050 0.000 1.217 41 G CA 0.887 45.959 45.100 -0.046 0.000 0.994 41 G HN 1.050 nan 8.290 nan 0.000 0.549 42 N N 0.827 119.516 118.700 -0.018 0.000 2.571 42 N HA 0.048 4.787 4.740 -0.001 0.000 0.189 42 N C 2.125 177.632 175.510 -0.005 0.000 1.154 42 N CA 1.049 54.101 53.050 0.002 0.000 0.907 42 N CB -0.126 38.376 38.487 0.025 0.000 0.977 42 N HN 0.447 nan 8.380 nan 0.000 0.449 43 M N -0.154 119.428 119.600 -0.030 0.000 2.541 43 M HA 0.053 4.532 4.480 -0.001 0.000 0.252 43 M C 0.717 176.974 176.300 -0.072 0.000 1.125 43 M CA -0.010 55.270 55.300 -0.032 0.000 1.091 43 M CB -0.317 32.261 32.600 -0.036 0.000 1.420 43 M HN -0.020 nan 8.290 nan 0.000 0.486 44 R N 0.666 121.072 120.500 -0.157 0.000 2.538 44 R HA -0.078 4.261 4.340 -0.001 0.000 0.282 44 R C -0.306 175.784 176.300 -0.350 0.000 1.009 44 R CA 0.691 56.565 56.100 -0.377 0.000 1.063 44 R CB -0.043 29.899 30.300 -0.597 0.000 0.945 44 R HN 0.199 nan 8.270 nan 0.000 0.414 45 F N -0.509 119.436 119.950 -0.008 0.000 2.619 45 F HA -0.302 4.225 4.527 -0.001 0.000 0.425 45 F C 0.624 176.401 175.800 -0.038 0.000 0.575 45 F CA 0.986 58.957 58.000 -0.049 0.000 1.289 45 F CB -1.558 37.400 39.000 -0.069 0.000 1.859 45 F HN 0.617 nan 8.300 nan 0.000 0.280 46 R N 1.248 121.815 120.500 0.112 0.000 2.577 46 R HA 0.497 4.837 4.340 -0.001 0.000 0.269 46 R C 0.788 177.114 176.300 0.045 0.000 1.084 46 R CA -0.509 55.635 56.100 0.073 0.000 1.163 46 R CB 0.611 30.940 30.300 0.048 0.000 1.100 46 R HN 0.310 nan 8.270 nan 0.000 0.547 47 R N 1.932 122.458 120.500 0.045 0.000 2.679 47 R HA 0.136 4.476 4.340 -0.001 0.000 0.268 47 R C -2.208 174.115 176.300 0.037 0.000 1.044 47 R CA -1.086 55.039 56.100 0.043 0.000 1.105 47 R CB -0.118 30.214 30.300 0.053 0.000 0.989 47 R HN 0.300 nan 8.270 nan 0.000 0.447 48 P HA 0.093 nan 4.420 nan 0.000 0.274 48 P C -0.983 176.343 177.300 0.043 0.000 1.246 48 P CA -0.059 63.063 63.100 0.036 0.000 0.795 48 P CB 0.734 32.477 31.700 0.071 0.000 1.006 49 E N 0.445 120.660 120.200 0.024 0.000 2.256 49 E HA 0.432 4.781 4.350 -0.001 0.000 0.267 49 E C -2.433 174.194 176.600 0.046 0.000 0.892 49 E CA -2.391 54.030 56.400 0.036 0.000 0.775 49 E CB 0.743 30.455 29.700 0.021 0.000 1.207 49 E HN 0.279 nan 8.360 nan 0.000 0.420 50 P HA -0.018 nan 4.420 nan 0.000 0.266 50 P C -0.311 177.036 177.300 0.079 0.000 1.195 50 P CA -0.136 63.028 63.100 0.107 0.000 0.768 50 P CB 0.433 32.200 31.700 0.112 0.000 0.838 51 K N 3.448 123.902 120.400 0.089 0.000 2.451 51 K HA 0.032 4.352 4.320 -0.001 0.000 0.280 51 K C -0.277 176.400 176.600 0.129 0.000 1.020 51 K CA 0.432 56.760 56.287 0.067 0.000 1.008 51 K CB -0.074 32.463 32.500 0.062 0.000 0.917 51 K HN 0.213 nan 8.250 nan 0.000 0.478 52 K N 5.978 126.450 120.400 0.121 0.000 2.401 52 K HA 0.138 4.458 4.320 -0.001 0.000 0.278 52 K C -2.200 174.504 176.600 0.172 0.000 1.018 52 K CA -1.585 54.774 56.287 0.120 0.000 0.981 52 K CB 0.360 32.926 32.500 0.109 0.000 0.933 52 K HN 0.529 nan 8.250 nan 0.000 0.477 53 P HA -0.062 nan 4.420 nan 0.000 0.267 53 P C -1.265 176.062 177.300 0.046 0.000 1.200 53 P CA -0.051 62.973 63.100 -0.127 0.000 0.772 53 P CB 0.282 31.860 31.700 -0.204 0.000 0.855 54 W N 1.040 122.413 121.300 0.122 0.000 2.736 54 W HA 0.717 5.377 4.660 -0.001 0.000 0.355 54 W C -0.646 175.948 176.519 0.125 0.000 1.102 54 W CA -0.886 56.552 57.345 0.154 0.000 1.164 54 W CB 0.153 29.779 29.460 0.276 0.000 1.422 54 W HN 0.387 nan 8.180 nan 0.000 0.572 55 S N 1.160 117.049 115.700 0.315 0.000 2.718 55 S HA 0.910 5.380 4.470 -0.001 0.000 0.300 55 S C 0.329 175.129 174.600 0.334 0.000 1.117 55 S CA -0.121 58.193 58.200 0.190 0.000 1.002 55 S CB 0.984 64.249 63.200 0.109 0.000 1.092 55 S HN 2.200 nan 8.310 nan 0.000 0.542 56 G N -0.614 108.322 108.800 0.227 0.000 2.725 56 G HA2 -0.043 3.917 3.960 -0.001 0.000 0.220 56 G HA3 -0.043 3.917 3.960 -0.001 0.000 0.220 56 G C -0.964 174.131 174.900 0.325 0.000 1.357 56 G CA -0.417 44.814 45.100 0.219 0.000 0.866 56 G HN 1.569 nan 8.290 nan 0.000 0.548 57 V N 0.915 120.965 119.914 0.227 0.000 2.398 57 V HA 0.533 4.653 4.120 -0.001 0.000 0.286 57 V C 0.331 176.527 176.094 0.171 0.000 1.026 57 V CA -0.563 61.892 62.300 0.259 0.000 0.868 57 V CB 1.803 33.716 31.823 0.151 0.000 0.982 57 V HN 0.726 nan 8.190 nan 0.000 0.443 58 W N 5.267 126.619 121.300 0.087 0.000 2.311 58 W HA 0.236 4.896 4.660 -0.001 0.000 0.310 58 W C 0.192 176.681 176.519 -0.049 0.000 1.274 58 W CA -0.410 56.821 57.345 -0.191 0.000 1.215 58 W CB 0.950 30.096 29.460 -0.523 0.000 1.227 58 W HN 0.610 nan 8.180 nan 0.000 0.523 59 N N 4.614 123.035 118.700 -0.465 0.000 2.399 59 N HA 0.186 4.926 4.740 -0.001 0.000 0.259 59 N C -0.473 175.033 175.510 -0.008 0.000 1.160 59 N CA 0.207 53.141 53.050 -0.193 0.000 0.946 59 N CB 0.916 39.232 38.487 -0.284 0.000 1.156 59 N HN 0.384 nan 8.380 nan 0.000 0.489 60 A N 2.821 125.733 122.820 0.154 0.000 3.264 60 A HA 0.217 4.537 4.320 -0.001 0.000 0.299 60 A C 0.964 178.552 177.584 0.006 0.000 1.272 60 A CA -0.428 51.725 52.037 0.194 0.000 1.030 60 A CB -0.447 18.775 19.000 0.369 0.000 1.102 60 A HN 0.633 nan 8.150 nan 0.000 0.615 61 S N -1.121 114.544 115.700 -0.059 0.000 2.526 61 S HA 0.192 4.661 4.470 -0.001 0.000 0.220 61 S C 0.747 175.254 174.600 -0.156 0.000 1.017 61 S CA 0.577 58.700 58.200 -0.129 0.000 0.930 61 S CB -0.171 62.962 63.200 -0.112 0.000 0.856 61 S HN 0.895 nan 8.310 nan 0.000 0.497 62 T N -0.937 113.541 114.554 -0.127 0.000 2.906 62 T HA 0.648 4.998 4.350 -0.001 0.000 0.295 62 T C -0.897 173.759 174.700 -0.073 0.000 1.075 62 T CA -0.735 61.286 62.100 -0.132 0.000 1.005 62 T CB 0.733 69.550 68.868 -0.085 0.000 1.136 62 T HN 0.055 nan 8.240 nan 0.000 0.498 63 Y N 2.867 123.132 120.300 -0.058 0.000 2.683 63 Y HA 0.301 4.850 4.550 -0.001 0.000 0.340 63 Y C -1.354 174.481 175.900 -0.108 0.000 1.245 63 Y CA -1.186 56.882 58.100 -0.054 0.000 1.485 63 Y CB 0.052 38.502 38.460 -0.017 0.000 1.328 63 Y HN 0.556 nan 8.280 nan 0.000 0.603 64 P HA 0.105 nan 4.420 nan 0.000 0.293 64 P C -0.674 176.556 177.300 -0.117 0.000 1.304 64 P CA -0.535 62.450 63.100 -0.191 0.000 0.767 64 P CB 0.869 32.361 31.700 -0.347 0.000 1.247 65 N N 0.105 118.707 118.700 -0.163 0.000 2.399 65 N HA 0.121 4.861 4.740 -0.001 0.000 0.250 65 N C 0.008 175.491 175.510 -0.045 0.000 1.272 65 N CA 0.158 53.157 53.050 -0.087 0.000 0.928 65 N CB -0.195 38.248 38.487 -0.073 0.000 1.158 65 N HN 0.403 nan 8.380 nan 0.000 0.463 66 N N -0.790 117.872 118.700 -0.064 0.000 2.492 66 N HA 0.323 5.062 4.740 -0.001 0.000 0.289 66 N C -0.509 174.958 175.510 -0.072 0.000 1.133 66 N CA -0.655 52.352 53.050 -0.072 0.000 0.961 66 N CB 1.064 39.483 38.487 -0.113 0.000 1.186 66 N HN 0.394 nan 8.380 nan 0.000 0.493 67 c N 1.240 119.798 118.600 -0.071 0.000 2.657 67 c HA 0.074 4.644 4.570 -0.001 0.000 0.404 67 c C 0.569 174.575 174.090 -0.141 0.000 1.291 67 c CA -0.645 55.622 56.329 -0.104 0.000 2.218 67 c CB 0.005 42.479 42.510 -0.060 0.000 2.687 67 c HN 0.535 nan 8.230 nan 0.000 0.634 68 Q N 2.731 122.363 119.800 -0.278 0.000 2.263 68 Q HA 0.172 4.511 4.340 -0.001 0.000 0.289 68 Q C -0.035 175.933 176.000 -0.054 0.000 1.061 68 Q CA 1.039 56.668 55.803 -0.289 0.000 0.927 68 Q CB 0.300 28.592 28.738 -0.744 0.000 1.154 68 Q HN 0.878 nan 8.270 nan 0.000 0.378 69 Q N 1.442 121.290 119.800 0.080 0.000 2.575 69 Q HA 0.306 4.646 4.340 -0.001 0.000 0.290 69 Q C -1.297 174.886 176.000 0.304 0.000 0.963 69 Q CA -1.031 54.915 55.803 0.238 0.000 0.783 69 Q CB 0.763 29.602 28.738 0.169 0.000 1.467 69 Q HN 0.472 nan 8.270 nan 0.000 0.402 70 Y N 1.126 121.642 120.300 0.361 0.000 2.511 70 Y HA 0.361 4.910 4.550 -0.001 0.000 0.332 70 Y C -1.050 175.046 175.900 0.326 0.000 1.177 70 Y CA 0.213 58.566 58.100 0.423 0.000 1.422 70 Y CB 0.887 39.777 38.460 0.716 0.000 1.271 70 Y HN 0.441 nan 8.280 nan 0.000 0.550 71 V N 6.663 126.282 119.914 -0.491 0.000 2.459 71 V HA 0.134 4.254 4.120 -0.001 0.000 0.295 71 V C -0.491 175.249 176.094 -0.590 0.000 1.029 71 V CA -1.058 61.041 62.300 -0.335 0.000 0.874 71 V CB 1.486 33.211 31.823 -0.163 0.000 0.985 71 V HN 0.770 nan 8.190 nan 0.000 0.438 72 D N 3.653 123.966 120.400 -0.146 0.000 2.371 72 D HA 0.114 4.754 4.640 -0.001 0.000 0.256 72 D C 0.520 176.861 176.300 0.069 0.000 1.193 72 D CA 0.378 54.422 54.000 0.074 0.000 0.881 72 D CB 0.953 41.933 40.800 0.300 0.000 1.143 72 D HN 0.690 nan 8.370 nan 0.000 0.473 73 E N 2.292 122.519 120.200 0.045 0.000 2.758 73 E HA 0.002 4.352 4.350 -0.001 0.000 0.215 73 E C 1.032 177.624 176.600 -0.013 0.000 0.985 73 E CA -0.262 56.158 56.400 0.033 0.000 1.102 73 E CB 0.621 30.312 29.700 -0.014 0.000 1.042 73 E HN 0.409 nan 8.360 nan 0.000 0.480 74 Q N -0.491 119.271 119.800 -0.064 0.000 2.181 74 Q HA -0.094 4.246 4.340 -0.001 0.000 0.205 74 Q C -0.035 175.476 176.000 -0.815 0.000 0.980 74 Q CA 1.204 56.700 55.803 -0.510 0.000 0.862 74 Q CB 0.118 28.372 28.738 -0.807 0.000 0.905 74 Q HN 0.216 nan 8.270 nan 0.000 0.429 75 F N -0.146 119.929 119.950 0.209 0.000 2.660 75 F HA 0.352 4.878 4.527 -0.001 0.000 0.352 75 F C -2.201 173.707 175.800 0.179 0.000 1.257 75 F CA -2.866 55.235 58.000 0.167 0.000 1.200 75 F CB 1.088 40.213 39.000 0.209 0.000 1.473 75 F HN -0.227 nan 8.300 nan 0.000 0.561 76 P HA 0.155 nan 4.420 nan 0.000 0.260 76 P C 1.029 178.428 177.300 0.166 0.000 1.185 76 P CA 1.397 64.585 63.100 0.147 0.000 0.763 76 P CB 0.692 32.441 31.700 0.083 0.000 0.776 77 G N 3.122 112.008 108.800 0.144 0.000 2.284 77 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.247 77 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.247 77 G C 0.094 175.089 174.900 0.158 0.000 1.012 77 G CA -0.426 44.743 45.100 0.115 0.000 0.618 77 G HN 0.532 nan 8.290 nan 0.000 0.521 78 F N 3.531 123.507 119.950 0.042 0.000 2.502 78 F HA 0.486 5.012 4.527 -0.001 0.000 0.371 78 F C 1.742 177.510 175.800 -0.053 0.000 1.083 78 F CA -0.001 57.972 58.000 -0.046 0.000 1.174 78 F CB 1.054 40.014 39.000 -0.066 0.000 1.096 78 F HN 0.303 nan 8.300 nan 0.000 0.545 79 S N 3.556 118.924 115.700 -0.554 0.000 2.399 79 S HA -0.123 4.347 4.470 -0.001 0.000 0.231 79 S C 2.223 176.437 174.600 -0.643 0.000 1.022 79 S CA 0.996 58.897 58.200 -0.500 0.000 0.983 79 S CB -1.216 61.739 63.200 -0.408 0.000 0.803 79 S HN 0.816 nan 8.310 nan 0.000 0.480 80 G N 1.502 109.439 108.800 -1.439 0.000 2.450 80 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.220 80 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.220 80 G C 1.711 176.859 174.900 0.413 0.000 1.130 80 G CA 1.284 45.880 45.100 -0.840 0.000 0.760 80 G HN 0.821 nan 8.290 nan 0.000 0.557 81 S N -0.462 115.480 115.700 0.402 0.000 2.475 81 S HA 0.159 4.628 4.470 -0.001 0.000 0.224 81 S C 1.807 176.712 174.600 0.509 0.000 1.042 81 S CA 0.727 59.469 58.200 0.905 0.000 0.935 81 S CB 0.138 64.011 63.200 1.122 0.000 0.801 81 S HN 0.388 nan 8.310 nan 0.000 0.509 82 E N 1.729 122.054 120.200 0.209 0.000 2.285 82 E HA 0.056 4.406 4.350 -0.001 0.000 0.194 82 E C 1.976 178.532 176.600 -0.074 0.000 0.997 82 E CA 0.931 57.379 56.400 0.080 0.000 0.845 82 E CB -0.317 29.402 29.700 0.032 0.000 0.782 82 E HN 0.822 nan 8.360 nan 0.000 0.491 83 M N -1.747 117.711 119.600 -0.237 0.000 2.632 83 M HA -0.043 4.437 4.480 -0.001 0.000 0.256 83 M C 0.667 176.567 176.300 -0.668 0.000 1.080 83 M CA 1.230 56.225 55.300 -0.509 0.000 1.084 83 M CB -0.233 31.949 32.600 -0.696 0.000 1.439 83 M HN 0.042 nan 8.290 nan 0.000 0.509 84 W N 0.470 121.727 121.300 -0.071 0.000 3.058 84 W HA 0.317 4.976 4.660 -0.001 0.000 0.306 84 W C 0.390 176.843 176.519 -0.110 0.000 1.188 84 W CA -0.898 56.377 57.345 -0.116 0.000 1.651 84 W CB -0.029 29.396 29.460 -0.058 0.000 1.051 84 W HN 0.083 nan 8.180 nan 0.000 0.592 85 N N 1.517 120.269 118.700 0.087 0.000 2.424 85 N HA 0.160 4.900 4.740 -0.001 0.000 0.257 85 N C -2.482 172.995 175.510 -0.056 0.000 1.250 85 N CA -1.492 51.576 53.050 0.031 0.000 0.946 85 N CB -0.143 38.365 38.487 0.034 0.000 1.175 85 N HN -0.369 nan 8.380 nan 0.000 0.477 86 P HA 0.057 nan 4.420 nan 0.000 0.264 86 P C 0.159 177.399 177.300 -0.100 0.000 1.193 86 P CA 0.049 63.089 63.100 -0.100 0.000 0.763 86 P CB 0.261 31.913 31.700 -0.080 0.000 0.810 87 N N 2.710 121.333 118.700 -0.129 0.000 2.238 87 N HA 0.080 4.820 4.740 -0.001 0.000 0.222 87 N C 0.132 175.588 175.510 -0.090 0.000 1.133 87 N CA -0.010 52.973 53.050 -0.112 0.000 0.854 87 N CB 0.364 38.767 38.487 -0.140 0.000 1.041 87 N HN 0.170 nan 8.380 nan 0.000 0.510 88 R N -0.025 120.421 120.500 -0.090 0.000 2.869 88 R HA 0.347 4.687 4.340 -0.001 0.000 0.263 88 R C -0.655 175.606 176.300 -0.064 0.000 1.066 88 R CA -0.734 55.325 56.100 -0.068 0.000 0.960 88 R CB 0.787 31.042 30.300 -0.075 0.000 1.221 88 R HN 0.109 nan 8.270 nan 0.000 0.474 89 E N 0.941 121.106 120.200 -0.057 0.000 2.413 89 E HA 0.062 4.412 4.350 -0.001 0.000 0.263 89 E C -0.179 176.382 176.600 -0.065 0.000 1.015 89 E CA 0.426 56.792 56.400 -0.056 0.000 0.916 89 E CB 0.588 30.256 29.700 -0.053 0.000 0.947 89 E HN 0.205 nan 8.360 nan 0.000 0.440 90 M N 2.000 121.561 119.600 -0.066 0.000 2.249 90 M HA 0.293 4.773 4.480 -0.001 0.000 0.351 90 M C -0.305 175.940 176.300 -0.093 0.000 1.180 90 M CA 0.000 55.251 55.300 -0.082 0.000 1.127 90 M CB 1.529 34.081 32.600 -0.080 0.000 1.546 90 M HN 0.379 nan 8.290 nan 0.000 0.461 91 S N 0.609 116.241 115.700 -0.114 0.000 2.552 91 S HA 0.225 4.694 4.470 -0.001 0.000 0.272 91 S C 0.105 174.605 174.600 -0.166 0.000 1.150 91 S CA -0.683 57.444 58.200 -0.122 0.000 0.849 91 S CB 1.479 64.636 63.200 -0.071 0.000 1.113 91 S HN 0.837 nan 8.310 nan 0.000 0.458 92 E N 0.916 120.994 120.200 -0.204 0.000 2.268 92 E HA -0.094 4.255 4.350 -0.001 0.000 0.195 92 E C -0.245 176.277 176.600 -0.130 0.000 0.995 92 E CA 0.597 56.852 56.400 -0.241 0.000 0.836 92 E CB 0.088 29.645 29.700 -0.237 0.000 0.763 92 E HN 0.521 nan 8.360 nan 0.000 0.491 93 D N 0.485 120.846 120.400 -0.066 0.000 2.483 93 D HA -0.001 4.638 4.640 -0.001 0.000 0.220 93 D C -0.049 176.320 176.300 0.116 0.000 1.173 93 D CA -0.309 53.694 54.000 0.006 0.000 0.964 93 D CB -0.110 40.717 40.800 0.045 0.000 1.046 93 D HN 0.112 nan 8.370 nan 0.000 0.517 94 c N 2.478 121.113 118.600 0.058 0.000 3.486 94 c HA 0.402 4.971 4.570 -0.001 0.000 0.264 94 c C 0.539 174.677 174.090 0.080 0.000 1.756 94 c CA -0.744 55.684 56.329 0.166 0.000 1.764 94 c CB -1.397 41.140 42.510 0.044 0.000 3.238 94 c HN 0.416 nan 8.230 nan 0.000 0.524 95 L N 2.465 123.476 121.223 -0.353 0.000 2.387 95 L HA 0.459 4.799 4.340 -0.001 0.000 0.267 95 L C -0.876 175.178 176.870 -1.361 0.000 1.197 95 L CA 0.398 54.765 54.840 -0.789 0.000 1.070 95 L CB -0.573 40.912 42.059 -0.957 0.000 1.349 95 L HN 0.360 nan 8.230 nan 0.000 0.422 96 Y N 2.007 122.164 120.300 -0.238 0.000 2.609 96 Y HA 0.689 5.239 4.550 -0.001 0.000 0.342 96 Y C -0.148 175.911 175.900 0.266 0.000 1.058 96 Y CA -1.273 56.787 58.100 -0.067 0.000 1.055 96 Y CB 1.913 40.338 38.460 -0.058 0.000 1.292 96 Y HN 0.194 nan 8.280 nan 0.000 0.476 97 L N -0.259 121.145 121.223 0.300 0.000 2.303 97 L HA 0.796 5.136 4.340 -0.001 0.000 0.256 97 L C -1.287 175.647 176.870 0.107 0.000 1.034 97 L CA -1.117 53.843 54.840 0.200 0.000 0.832 97 L CB 1.813 43.898 42.059 0.044 0.000 1.403 97 L HN 0.479 nan 8.230 nan 0.000 0.419 98 N N 0.973 119.739 118.700 0.110 0.000 2.225 98 N HA 0.720 5.460 4.740 -0.001 0.000 0.298 98 N C -1.420 174.051 175.510 -0.065 0.000 1.076 98 N CA -0.241 52.787 53.050 -0.036 0.000 0.792 98 N CB 2.803 41.255 38.487 -0.058 0.000 1.498 98 N HN 0.648 nan 8.380 nan 0.000 0.474 99 I N 0.336 120.788 120.570 -0.196 0.000 2.499 99 I HA 0.395 4.565 4.170 -0.001 0.000 0.288 99 I C -0.732 175.386 176.117 0.002 0.000 1.048 99 I CA -0.704 60.592 61.300 -0.007 0.000 1.062 99 I CB 2.224 40.166 38.000 -0.097 0.000 1.238 99 I HN 0.236 nan 8.210 nan 0.000 0.426 100 W N 5.730 127.181 121.300 0.252 0.000 2.429 100 W HA 0.584 5.243 4.660 -0.001 0.000 0.314 100 W C -0.973 175.703 176.519 0.263 0.000 1.062 100 W CA -0.666 56.824 57.345 0.242 0.000 1.211 100 W CB 2.210 31.778 29.460 0.181 0.000 1.305 100 W HN 0.102 nan 8.180 nan 0.000 0.476 101 V N 4.936 125.142 119.914 0.486 0.000 2.487 101 V HA 0.258 4.377 4.120 -0.001 0.000 0.298 101 V C -2.057 174.238 176.094 0.334 0.000 1.028 101 V CA -2.400 60.148 62.300 0.413 0.000 0.860 101 V CB 1.854 33.986 31.823 0.515 0.000 0.991 101 V HN 0.270 nan 8.190 nan 0.000 0.427 102 P HA 0.077 nan 4.420 nan 0.000 0.267 102 P C -0.460 176.963 177.300 0.205 0.000 1.200 102 P CA 0.378 63.608 63.100 0.217 0.000 0.772 102 P CB 0.527 32.316 31.700 0.147 0.000 0.855 103 S N 2.239 118.056 115.700 0.196 0.000 2.478 103 S HA 0.549 5.018 4.470 -0.001 0.000 0.312 103 S C -2.324 172.356 174.600 0.135 0.000 1.094 103 S CA -1.543 56.757 58.200 0.167 0.000 1.081 103 S CB 0.032 63.336 63.200 0.173 0.000 1.007 103 S HN 0.266 nan 8.310 nan 0.000 0.475 104 P HA 0.231 nan 4.420 nan 0.000 0.274 104 P C -0.503 176.866 177.300 0.115 0.000 1.231 104 P CA -0.676 62.487 63.100 0.105 0.000 0.790 104 P CB 0.440 32.187 31.700 0.077 0.000 0.951 105 R N 2.392 122.972 120.500 0.132 0.000 2.481 105 R HA 0.012 4.352 4.340 -0.001 0.000 0.291 105 R C -1.910 174.455 176.300 0.108 0.000 0.934 105 R CA -0.598 55.589 56.100 0.145 0.000 1.116 105 R CB -0.573 29.813 30.300 0.143 0.000 0.895 105 R HN 0.364 nan 8.270 nan 0.000 0.410 106 P HA 0.067 nan 4.420 nan 0.000 0.272 106 P C -0.193 177.143 177.300 0.059 0.000 1.240 106 P CA -0.390 62.757 63.100 0.078 0.000 0.791 106 P CB 0.758 32.509 31.700 0.085 0.000 0.978 107 K N -0.407 120.015 120.400 0.037 0.000 2.141 107 K HA 0.148 4.468 4.320 -0.001 0.000 0.202 107 K C 0.482 177.083 176.600 0.002 0.000 1.045 107 K CA 1.017 57.315 56.287 0.018 0.000 0.971 107 K CB -0.167 32.340 32.500 0.011 0.000 0.795 107 K HN 0.271 nan 8.250 nan 0.000 0.459 108 S N 0.950 116.652 115.700 0.004 0.000 2.592 108 S HA 0.153 4.623 4.470 -0.001 0.000 0.151 108 S C -1.028 173.574 174.600 0.002 0.000 1.280 108 S CA -0.315 57.880 58.200 -0.009 0.000 1.187 108 S CB 0.518 63.702 63.200 -0.026 0.000 1.471 108 S HN 0.161 nan 8.310 nan 0.000 0.409 109 T N 1.664 116.229 114.554 0.019 0.000 2.949 109 T HA 0.567 4.917 4.350 -0.001 0.000 0.287 109 T C 0.119 174.834 174.700 0.024 0.000 1.034 109 T CA -0.104 62.010 62.100 0.023 0.000 1.018 109 T CB 1.125 70.017 68.868 0.040 0.000 1.135 109 T HN 0.403 nan 8.240 nan 0.000 0.532 110 T N 2.191 116.755 114.554 0.017 0.000 2.933 110 T HA 0.285 4.634 4.350 -0.001 0.000 0.306 110 T C -0.314 174.411 174.700 0.040 0.000 1.045 110 T CA -0.085 62.022 62.100 0.013 0.000 1.143 110 T CB 0.054 68.918 68.868 -0.007 0.000 1.003 110 T HN 0.404 nan 8.240 nan 0.000 0.540 111 V N 5.037 124.979 119.914 0.047 0.000 2.540 111 V HA 0.507 4.627 4.120 -0.001 0.000 0.302 111 V C -0.060 176.092 176.094 0.096 0.000 1.035 111 V CA -0.804 61.548 62.300 0.086 0.000 0.873 111 V CB 1.786 33.663 31.823 0.091 0.000 0.992 111 V HN 0.835 nan 8.190 nan 0.000 0.428 112 M N 4.392 124.075 119.600 0.138 0.000 2.321 112 M HA 0.606 5.086 4.480 -0.001 0.000 0.315 112 M C -1.312 175.223 176.300 0.392 0.000 1.052 112 M CA -0.701 54.702 55.300 0.171 0.000 0.936 112 M CB 2.308 34.883 32.600 -0.042 0.000 1.639 112 M HN 0.381 nan 8.290 nan 0.000 0.433 113 V N 2.909 123.104 119.914 0.468 0.000 2.378 113 V HA 0.326 4.445 4.120 -0.001 0.000 0.288 113 V C -0.831 175.565 176.094 0.504 0.000 1.016 113 V CA -0.689 61.866 62.300 0.425 0.000 0.840 113 V CB 1.546 33.486 31.823 0.195 0.000 0.994 113 V HN 0.874 nan 8.190 nan 0.000 0.431 114 W N 6.937 128.365 121.300 0.214 0.000 2.322 114 W HA 0.574 5.234 4.660 -0.001 0.000 0.307 114 W C -1.229 175.187 176.519 -0.173 0.000 1.220 114 W CA -0.669 56.529 57.345 -0.245 0.000 1.210 114 W CB 1.025 30.401 29.460 -0.140 0.000 1.223 114 W HN 0.445 nan 8.180 nan 0.000 0.511 115 I N 9.346 129.275 120.570 -1.069 0.000 2.354 115 I HA 0.063 4.233 4.170 -0.001 0.000 0.286 115 I C -0.174 175.151 176.117 -1.321 0.000 1.007 115 I CA -1.108 59.642 61.300 -0.915 0.000 1.167 115 I CB 0.590 38.230 38.000 -0.600 0.000 1.320 115 I HN 0.313 nan 8.210 nan 0.000 0.458 116 Y N 4.675 124.518 120.300 -0.763 0.000 2.379 116 Y HA 0.661 5.211 4.550 -0.001 0.000 0.337 116 Y C 0.749 176.468 175.900 -0.302 0.000 1.238 116 Y CA -0.880 56.865 58.100 -0.591 0.000 1.405 116 Y CB -0.038 38.349 38.460 -0.121 0.000 1.310 116 Y HN 0.542 nan 8.280 nan 0.000 0.569 117 G N -0.628 108.176 108.800 0.008 0.000 2.543 117 G HA2 0.483 4.443 3.960 -0.001 0.000 0.267 117 G HA3 0.483 4.443 3.960 -0.001 0.000 0.267 117 G C 0.332 175.195 174.900 -0.061 0.000 1.406 117 G CA -0.897 44.141 45.100 -0.103 0.000 1.048 117 G HN 1.728 nan 8.290 nan 0.000 0.548 118 G N -2.956 105.661 108.800 -0.306 0.000 2.215 118 G HA2 0.400 4.359 3.960 -0.001 0.000 0.187 118 G HA3 0.400 4.359 3.960 -0.001 0.000 0.187 118 G C 1.063 175.462 174.900 -0.834 0.000 1.039 118 G CA 0.725 45.544 45.100 -0.467 0.000 0.771 118 G HN 2.307 nan 8.290 nan 0.000 0.507 119 G N -0.362 107.958 108.800 -0.799 0.000 2.233 119 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.270 119 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.270 119 G C 0.896 175.415 174.900 -0.635 0.000 1.011 119 G CA 0.770 45.291 45.100 -0.965 0.000 0.762 119 G HN 1.740 nan 8.290 nan 0.000 0.511 120 F N -3.366 116.378 119.950 -0.342 0.000 2.914 120 F HA -0.303 4.223 4.527 -0.001 0.000 0.304 120 F C 1.388 177.209 175.800 0.036 0.000 0.712 120 F CA 2.133 60.056 58.000 -0.128 0.000 1.211 120 F CB -2.113 36.672 39.000 -0.359 0.000 1.515 120 F HN 0.961 nan 8.300 nan 0.000 0.350 121 Y N -1.514 118.825 120.300 0.065 0.000 2.563 121 Y HA 0.667 5.216 4.550 -0.001 0.000 0.250 121 Y C 0.502 176.507 175.900 0.175 0.000 1.126 121 Y CA 0.112 58.295 58.100 0.139 0.000 1.231 121 Y CB -0.063 38.412 38.460 0.026 0.000 1.288 121 Y HN 0.090 nan 8.280 nan 0.000 0.537 122 S N -0.713 114.760 115.700 -0.379 0.000 2.727 122 S HA 0.898 5.367 4.470 -0.001 0.000 0.278 122 S C -0.194 174.268 174.600 -0.230 0.000 1.186 122 S CA -0.562 57.508 58.200 -0.216 0.000 0.836 122 S CB 1.460 64.505 63.200 -0.258 0.000 1.186 122 S HN 1.372 nan 8.310 nan 0.000 0.499 123 G N -0.365 108.277 108.800 -0.263 0.000 2.528 123 G HA2 0.419 4.378 3.960 -0.001 0.000 0.681 123 G HA3 0.419 4.378 3.960 -0.001 0.000 0.681 123 G C -0.984 173.324 174.900 -0.986 0.000 1.340 123 G CA -0.321 44.466 45.100 -0.520 0.000 0.855 123 G HN 1.338 nan 8.290 nan 0.000 0.649 124 S N -0.916 114.164 115.700 -1.033 0.000 2.556 124 S HA 0.731 5.201 4.470 -0.001 0.000 0.271 124 S C 0.986 175.365 174.600 -0.370 0.000 1.135 124 S CA 0.132 57.916 58.200 -0.695 0.000 0.858 124 S CB 1.823 64.830 63.200 -0.322 0.000 1.114 124 S HN 1.969 nan 8.310 nan 0.000 0.468 125 S N -0.072 115.624 115.700 -0.006 0.000 2.501 125 S HA -0.054 4.415 4.470 -0.001 0.000 0.220 125 S C 1.478 176.200 174.600 0.203 0.000 0.997 125 S CA 0.898 59.320 58.200 0.370 0.000 0.919 125 S CB -0.624 62.846 63.200 0.450 0.000 0.778 125 S HN 0.831 nan 8.310 nan 0.000 0.523 126 T N 0.546 114.999 114.554 -0.169 0.000 3.129 126 T HA 0.356 4.705 4.350 -0.001 0.000 0.251 126 T C 0.675 175.064 174.700 -0.519 0.000 1.117 126 T CA -0.417 61.252 62.100 -0.718 0.000 1.034 126 T CB -0.697 67.609 68.868 -0.937 0.000 0.968 126 T HN 0.330 nan 8.240 nan 0.000 0.526 127 L N 2.201 123.220 121.223 -0.340 0.000 2.529 127 L HA 0.048 4.388 4.340 -0.001 0.000 0.287 127 L C 1.338 177.959 176.870 -0.415 0.000 1.241 127 L CA -0.274 54.287 54.840 -0.466 0.000 0.857 127 L CB 0.305 41.867 42.059 -0.828 0.000 1.113 127 L HN 0.120 nan 8.230 nan 0.000 0.504 128 D N 1.197 121.377 120.400 -0.367 0.000 2.178 128 D HA -0.118 4.522 4.640 -0.001 0.000 0.201 128 D C 1.948 178.036 176.300 -0.353 0.000 0.980 128 D CA 1.098 54.948 54.000 -0.250 0.000 0.842 128 D CB 0.015 40.696 40.800 -0.199 0.000 0.948 128 D HN 0.497 nan 8.370 nan 0.000 0.472 129 V N -0.611 118.941 119.914 -0.603 0.000 3.078 129 V HA -0.159 3.960 4.120 -0.001 0.000 0.265 129 V C 1.244 176.869 176.094 -0.781 0.000 1.122 129 V CA 0.985 62.900 62.300 -0.640 0.000 1.141 129 V CB -1.061 30.291 31.823 -0.784 0.000 0.735 129 V HN 0.087 nan 8.190 nan 0.000 0.498 130 Y N -0.209 119.642 120.300 -0.748 0.000 2.485 130 Y HA 0.401 4.951 4.550 -0.001 0.000 0.260 130 Y C 1.171 176.650 175.900 -0.701 0.000 1.173 130 Y CA -1.716 55.644 58.100 -1.233 0.000 1.252 130 Y CB -0.810 37.230 38.460 -0.701 0.000 1.123 130 Y HN 0.259 nan 8.280 nan 0.000 0.524 131 N N 1.574 120.125 118.700 -0.249 0.000 2.414 131 N HA -0.052 4.688 4.740 -0.001 0.000 0.268 131 N C 1.380 176.586 175.510 -0.507 0.000 1.286 131 N CA 0.784 53.697 53.050 -0.230 0.000 0.896 131 N CB 1.150 39.617 38.487 -0.033 0.000 1.093 131 N HN 0.468 nan 8.380 nan 0.000 0.480 132 G N 3.672 111.564 108.800 -1.515 0.000 2.679 132 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.212 132 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.212 132 G C 1.459 175.757 174.900 -1.003 0.000 1.137 132 G CA 0.579 44.965 45.100 -1.190 0.000 0.787 132 G HN 0.780 nan 8.290 nan 0.000 0.534 133 K N -0.232 119.408 120.400 -1.266 0.000 2.097 133 K HA -0.147 4.172 4.320 -0.001 0.000 0.206 133 K C 1.802 178.161 176.600 -0.403 0.000 1.049 133 K CA 1.135 57.012 56.287 -0.684 0.000 0.933 133 K CB -0.569 31.598 32.500 -0.554 0.000 0.717 133 K HN 0.336 nan 8.250 nan 0.000 0.442 134 Y N 1.001 121.231 120.300 -0.116 0.000 2.274 134 Y HA -0.124 4.425 4.550 -0.001 0.000 0.290 134 Y C 2.266 178.175 175.900 0.015 0.000 1.145 134 Y CA 0.610 58.696 58.100 -0.023 0.000 1.203 134 Y CB -0.369 38.052 38.460 -0.066 0.000 0.984 134 Y HN 0.054 nan 8.280 nan 0.000 0.533 135 L N -0.193 121.064 121.223 0.057 0.000 2.127 135 L HA 0.089 4.429 4.340 -0.001 0.000 0.203 135 L C 2.344 179.234 176.870 0.033 0.000 1.080 135 L CA 1.627 56.464 54.840 -0.005 0.000 0.768 135 L CB -1.192 40.790 42.059 -0.129 0.000 0.924 135 L HN 0.115 nan 8.230 nan 0.000 0.444 136 A N -1.286 121.567 122.820 0.055 0.000 1.877 136 A HA -0.292 4.027 4.320 -0.001 0.000 0.216 136 A C 2.314 179.979 177.584 0.135 0.000 1.186 136 A CA 1.886 54.000 52.037 0.129 0.000 0.620 136 A CB -1.182 17.954 19.000 0.227 0.000 0.822 136 A HN 0.570 nan 8.150 nan 0.000 0.443 137 Y N 1.277 121.597 120.300 0.033 0.000 2.114 137 Y HA -0.187 4.362 4.550 -0.001 0.000 0.284 137 Y C 2.617 178.541 175.900 0.039 0.000 1.143 137 Y CA 2.475 60.598 58.100 0.038 0.000 1.135 137 Y CB -0.677 37.787 38.460 0.006 0.000 0.980 137 Y HN 0.300 nan 8.280 nan 0.000 0.499 138 T N 0.151 114.709 114.554 0.006 0.000 2.857 138 T HA -0.094 4.255 4.350 -0.001 0.000 0.266 138 T C 1.253 175.907 174.700 -0.078 0.000 1.048 138 T CA 1.566 63.618 62.100 -0.080 0.000 1.139 138 T CB -0.067 68.838 68.868 0.062 0.000 0.874 138 T HN 0.325 nan 8.240 nan 0.000 0.455 139 E N 0.346 120.536 120.200 -0.017 0.000 2.498 139 E HA 0.166 4.516 4.350 -0.001 0.000 0.203 139 E C 0.020 176.627 176.600 0.012 0.000 1.013 139 E CA -0.002 56.412 56.400 0.022 0.000 0.927 139 E CB 0.332 30.060 29.700 0.047 0.000 1.012 139 E HN 0.461 nan 8.360 nan 0.000 0.482 140 E N 0.232 120.426 120.200 -0.010 0.000 2.271 140 E HA -0.167 4.183 4.350 -0.001 0.000 0.223 140 E C -0.692 175.937 176.600 0.048 0.000 1.223 140 E CA 0.497 56.906 56.400 0.014 0.000 0.704 140 E CB -1.259 28.441 29.700 -0.000 0.000 1.194 140 E HN 0.146 nan 8.360 nan 0.000 0.375 141 V N -2.866 117.090 119.914 0.070 0.000 2.914 141 V HA 0.741 4.861 4.120 -0.001 0.000 0.314 141 V C 0.401 176.578 176.094 0.139 0.000 1.084 141 V CA -1.087 61.261 62.300 0.081 0.000 0.963 141 V CB 2.268 34.121 31.823 0.050 0.000 1.025 141 V HN -0.039 nan 8.190 nan 0.000 0.432 142 V N 4.367 124.372 119.914 0.151 0.000 2.488 142 V HA 0.370 4.489 4.120 -0.001 0.000 0.277 142 V C 0.015 176.252 176.094 0.238 0.000 1.046 142 V CA -0.060 62.366 62.300 0.210 0.000 0.986 142 V CB 1.109 33.041 31.823 0.181 0.000 0.989 142 V HN 0.808 nan 8.190 nan 0.000 0.475 143 L N 6.561 127.989 121.223 0.343 0.000 2.305 143 L HA 0.633 4.972 4.340 -0.001 0.000 0.284 143 L C -0.549 176.636 176.870 0.525 0.000 1.013 143 L CA -0.080 55.011 54.840 0.417 0.000 0.819 143 L CB 1.587 43.896 42.059 0.417 0.000 1.227 143 L HN 0.442 nan 8.230 nan 0.000 0.417 144 V N 3.273 123.462 119.914 0.458 0.000 2.581 144 V HA 0.511 4.630 4.120 -0.001 0.000 0.303 144 V C -0.135 176.260 176.094 0.502 0.000 1.041 144 V CA -0.525 62.021 62.300 0.409 0.000 0.907 144 V CB 1.903 33.872 31.823 0.244 0.000 0.994 144 V HN 0.742 nan 8.190 nan 0.000 0.442 145 S N 3.775 119.764 115.700 0.481 0.000 2.596 145 S HA 0.714 5.183 4.470 -0.001 0.000 0.318 145 S C -0.584 174.215 174.600 0.330 0.000 1.097 145 S CA -0.598 57.913 58.200 0.518 0.000 1.080 145 S CB 0.658 64.263 63.200 0.675 0.000 0.991 145 S HN 0.581 nan 8.310 nan 0.000 0.471 146 L N 2.936 124.292 121.223 0.220 0.000 2.397 146 L HA 0.992 5.332 4.340 -0.001 0.000 0.266 146 L C 0.146 177.170 176.870 0.256 0.000 1.040 146 L CA -0.622 54.301 54.840 0.138 0.000 0.800 146 L CB 0.606 42.611 42.059 -0.090 0.000 1.324 146 L HN 0.533 nan 8.230 nan 0.000 0.469 147 S N -1.419 114.491 115.700 0.351 0.000 2.661 147 S HA 0.920 5.390 4.470 -0.001 0.000 0.285 147 S C -1.269 173.589 174.600 0.430 0.000 1.138 147 S CA -0.436 58.003 58.200 0.399 0.000 0.855 147 S CB 1.600 65.065 63.200 0.441 0.000 1.136 147 S HN 1.335 nan 8.310 nan 0.000 0.484 148 Y N -1.988 118.442 120.300 0.215 0.000 2.620 148 Y HA 0.638 5.188 4.550 -0.001 0.000 0.331 148 Y C -0.923 175.097 175.900 0.201 0.000 1.173 148 Y CA -1.362 56.841 58.100 0.171 0.000 1.076 148 Y CB 0.542 39.050 38.460 0.081 0.000 1.336 148 Y HN 0.793 nan 8.280 nan 0.000 0.459 149 R N 1.951 122.563 120.500 0.187 0.000 2.570 149 R HA 0.512 4.851 4.340 -0.001 0.000 0.277 149 R C -0.080 176.370 176.300 0.250 0.000 1.039 149 R CA 0.031 56.210 56.100 0.130 0.000 1.065 149 R CB 0.760 31.111 30.300 0.086 0.000 0.964 149 R HN 0.693 nan 8.270 nan 0.000 0.428 150 V N -0.308 119.787 119.914 0.301 0.000 3.181 150 V HA 0.904 5.023 4.120 -0.001 0.000 0.314 150 V C 0.727 177.135 176.094 0.524 0.000 1.173 150 V CA -0.111 62.494 62.300 0.507 0.000 1.052 150 V CB 1.172 33.190 31.823 0.325 0.000 1.123 150 V HN 0.971 nan 8.190 nan 0.000 0.454 151 G N 0.378 109.522 108.800 0.574 0.000 2.569 151 G HA2 0.031 3.991 3.960 -0.001 0.000 0.259 151 G HA3 0.031 3.991 3.960 -0.001 0.000 0.259 151 G C 0.977 176.030 174.900 0.255 0.000 1.263 151 G CA 1.003 46.367 45.100 0.441 0.000 0.928 151 G HN 2.199 nan 8.290 nan 0.000 0.572 152 A N -1.332 121.317 122.820 -0.285 0.000 1.930 152 A HA 0.309 4.629 4.320 -0.001 0.000 0.217 152 A C 2.246 179.659 177.584 -0.286 0.000 1.175 152 A CA 2.433 53.984 52.037 -0.811 0.000 0.627 152 A CB -0.478 17.831 19.000 -1.152 0.000 0.815 152 A HN 0.926 nan 8.150 nan 0.000 0.443 153 F N 0.273 120.265 119.950 0.069 0.000 2.120 153 F HA -0.092 4.434 4.527 -0.001 0.000 0.300 153 F C 2.496 178.299 175.800 0.005 0.000 1.095 153 F CA 1.392 59.413 58.000 0.035 0.000 1.249 153 F CB -0.796 38.177 39.000 -0.045 0.000 0.995 153 F HN 0.288 nan 8.300 nan 0.000 0.480 154 G N -2.694 106.164 108.800 0.096 0.000 2.921 154 G HA2 0.058 4.017 3.960 -0.001 0.000 0.213 154 G HA3 0.058 4.017 3.960 -0.001 0.000 0.213 154 G C 0.734 175.078 174.900 -0.927 0.000 1.143 154 G CA 0.119 45.013 45.100 -0.344 0.000 0.764 154 G HN 0.336 nan 8.290 nan 0.000 0.542 155 F N -0.669 119.352 119.950 0.118 0.000 2.899 155 F HA 0.411 4.938 4.527 -0.001 0.000 0.337 155 F C 0.370 176.211 175.800 0.068 0.000 1.129 155 F CA -1.118 56.934 58.000 0.087 0.000 1.128 155 F CB 0.316 39.387 39.000 0.119 0.000 1.154 155 F HN -0.084 nan 8.300 nan 0.000 0.531 156 L N 2.262 123.457 121.223 -0.047 0.000 2.559 156 L HA 0.436 4.776 4.340 -0.001 0.000 0.274 156 L C 0.169 176.993 176.870 -0.076 0.000 1.205 156 L CA 0.262 54.969 54.840 -0.221 0.000 0.907 156 L CB 0.369 41.981 42.059 -0.745 0.000 1.153 156 L HN 0.157 nan 8.230 nan 0.000 0.490 157 A N 7.107 129.946 122.820 0.031 0.000 2.363 157 A HA 0.593 4.913 4.320 -0.001 0.000 0.296 157 A C -0.792 176.809 177.584 0.029 0.000 1.237 157 A CA -0.493 51.568 52.037 0.040 0.000 0.773 157 A CB 0.463 19.519 19.000 0.093 0.000 1.153 157 A HN 0.710 nan 8.150 nan 0.000 0.473 158 L N 3.668 124.895 121.223 0.006 0.000 2.426 158 L HA 0.235 4.575 4.340 -0.001 0.000 0.255 158 L C 0.092 177.003 176.870 0.068 0.000 1.080 158 L CA -0.813 54.038 54.840 0.018 0.000 0.960 158 L CB 0.226 42.265 42.059 -0.034 0.000 1.326 158 L HN 0.859 nan 8.230 nan 0.000 0.441 159 H N 2.038 121.111 119.070 0.004 0.000 3.125 159 H HA 0.239 4.795 4.556 -0.001 0.000 0.310 159 H C 1.103 176.438 175.328 0.012 0.000 0.980 159 H CA 1.330 57.387 56.048 0.015 0.000 1.422 159 H CB 0.719 30.495 29.762 0.022 0.000 1.432 159 H HN 0.710 nan 8.280 nan 0.000 0.577 160 G N 2.772 111.330 108.800 -0.404 0.000 2.278 160 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.210 160 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.210 160 G C 0.385 175.200 174.900 -0.142 0.000 1.000 160 G CA 0.128 45.023 45.100 -0.342 0.000 0.635 160 G HN 0.870 nan 8.290 nan 0.000 0.495 161 S N 0.027 115.682 115.700 -0.076 0.000 2.586 161 S HA 0.579 5.049 4.470 -0.001 0.000 0.274 161 S C 1.100 175.695 174.600 -0.009 0.000 1.281 161 S CA -0.057 58.124 58.200 -0.030 0.000 1.035 161 S CB 1.453 64.644 63.200 -0.014 0.000 0.962 161 S HN 0.179 nan 8.310 nan 0.000 0.512 162 Q N 1.785 121.587 119.800 0.003 0.000 2.392 162 Q HA 0.181 4.521 4.340 -0.001 0.000 0.203 162 Q C 1.125 177.147 176.000 0.036 0.000 0.917 162 Q CA 0.546 56.360 55.803 0.019 0.000 0.939 162 Q CB 0.164 28.912 28.738 0.016 0.000 1.063 162 Q HN 0.672 nan 8.270 nan 0.000 0.516 163 E N -0.088 120.136 120.200 0.040 0.000 2.190 163 E HA 0.117 4.467 4.350 -0.001 0.000 0.191 163 E C 0.079 176.734 176.600 0.091 0.000 0.978 163 E CA 0.528 56.969 56.400 0.068 0.000 0.839 163 E CB 0.544 30.288 29.700 0.074 0.000 0.787 163 E HN 0.092 nan 8.360 nan 0.000 0.473 164 A N 1.857 124.704 122.820 0.045 0.000 3.370 164 A HA 0.292 4.612 4.320 -0.001 0.000 0.295 164 A C -2.036 175.553 177.584 0.010 0.000 1.030 164 A CA -0.915 51.130 52.037 0.013 0.000 0.883 164 A CB 0.634 19.549 19.000 -0.140 0.000 1.191 164 A HN -0.114 nan 8.150 nan 0.000 0.507 165 P HA 0.123 nan 4.420 nan 0.000 0.223 165 P C 0.877 178.235 177.300 0.096 0.000 1.151 165 P CA 1.787 64.934 63.100 0.078 0.000 0.787 165 P CB 0.221 31.970 31.700 0.082 0.000 0.788 166 G N 0.547 109.380 108.800 0.055 0.000 2.619 166 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.686 166 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.686 166 G C -0.200 174.713 174.900 0.022 0.000 1.256 166 G CA -0.331 44.805 45.100 0.060 0.000 0.826 166 G HN 0.098 nan 8.290 nan 0.000 0.619 167 N N -2.245 116.473 118.700 0.029 0.000 2.713 167 N HA -0.290 4.450 4.740 -0.001 0.000 0.251 167 N C 1.975 177.359 175.510 -0.210 0.000 1.117 167 N CA 2.458 55.461 53.050 -0.078 0.000 0.770 167 N CB -1.730 36.630 38.487 -0.212 0.000 1.137 167 N HN 1.926 nan 8.380 nan 0.000 0.566 168 V N -2.685 117.087 119.914 -0.237 0.000 2.490 168 V HA -0.060 4.059 4.120 -0.001 0.000 0.250 168 V C 2.322 178.295 176.094 -0.201 0.000 1.061 168 V CA 2.335 64.539 62.300 -0.159 0.000 1.064 168 V CB -1.000 30.772 31.823 -0.085 0.000 0.670 168 V HN 0.287 nan 8.190 nan 0.000 0.461 169 G N 0.185 108.674 108.800 -0.518 0.000 2.432 169 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.219 169 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.219 169 G C 1.563 176.445 174.900 -0.030 0.000 1.135 169 G CA 1.070 46.017 45.100 -0.255 0.000 0.767 169 G HN 0.541 nan 8.290 nan 0.000 0.550 170 L N -0.174 120.997 121.223 -0.087 0.000 2.156 170 L HA 0.128 4.468 4.340 -0.001 0.000 0.208 170 L C 2.755 179.680 176.870 0.092 0.000 1.095 170 L CA 0.254 55.032 54.840 -0.104 0.000 0.770 170 L CB -0.166 41.541 42.059 -0.588 0.000 0.914 170 L HN 0.183 nan 8.230 nan 0.000 0.439 171 L N -0.750 120.516 121.223 0.071 0.000 2.109 171 L HA -0.174 4.165 4.340 -0.001 0.000 0.207 171 L C 2.112 179.072 176.870 0.151 0.000 1.086 171 L CA 0.798 55.736 54.840 0.163 0.000 0.760 171 L CB -0.543 41.587 42.059 0.118 0.000 0.910 171 L HN 0.259 nan 8.230 nan 0.000 0.437 172 D N 0.073 120.561 120.400 0.147 0.000 2.104 172 D HA -0.213 4.426 4.640 -0.001 0.000 0.194 172 D C 2.278 178.693 176.300 0.192 0.000 0.994 172 D CA 1.241 55.401 54.000 0.267 0.000 0.830 172 D CB -0.146 40.840 40.800 0.309 0.000 0.959 172 D HN 0.379 nan 8.370 nan 0.000 0.452 173 Q N 0.039 119.886 119.800 0.078 0.000 2.084 173 Q HA -0.121 4.219 4.340 -0.001 0.000 0.202 173 Q C 2.304 178.201 176.000 -0.172 0.000 0.978 173 Q CA 0.929 56.681 55.803 -0.085 0.000 0.844 173 Q CB -0.045 28.650 28.738 -0.073 0.000 0.898 173 Q HN 0.199 nan 8.270 nan 0.000 0.426 174 R N 0.666 121.145 120.500 -0.035 0.000 2.083 174 R HA -0.165 4.175 4.340 -0.001 0.000 0.237 174 R C 2.258 178.527 176.300 -0.052 0.000 1.137 174 R CA 1.608 57.669 56.100 -0.064 0.000 0.951 174 R CB -0.195 30.176 30.300 0.118 0.000 0.851 174 R HN 0.275 nan 8.270 nan 0.000 0.434 175 M N 0.012 119.623 119.600 0.018 0.000 2.108 175 M HA -0.154 4.326 4.480 -0.001 0.000 0.261 175 M C 2.112 178.368 176.300 -0.073 0.000 1.066 175 M CA 2.111 57.460 55.300 0.081 0.000 1.107 175 M CB -0.078 32.679 32.600 0.262 0.000 1.356 175 M HN 0.297 nan 8.290 nan 0.000 0.406 176 A N 0.369 122.864 122.820 -0.541 0.000 1.902 176 A HA -0.126 4.193 4.320 -0.001 0.000 0.217 176 A C 2.004 179.438 177.584 -0.249 0.000 1.181 176 A CA 1.542 53.049 52.037 -0.884 0.000 0.623 176 A CB -1.069 17.116 19.000 -1.358 0.000 0.818 176 A HN 0.595 nan 8.150 nan 0.000 0.443 177 L N -0.954 120.151 121.223 -0.198 0.000 2.131 177 L HA -0.234 4.106 4.340 -0.001 0.000 0.210 177 L C 2.817 179.716 176.870 0.048 0.000 1.092 177 L CA 1.659 56.457 54.840 -0.070 0.000 0.759 177 L CB -0.474 41.505 42.059 -0.134 0.000 0.903 177 L HN 0.503 nan 8.230 nan 0.000 0.435 178 Q N -0.298 119.531 119.800 0.049 0.000 2.079 178 Q HA -0.251 4.088 4.340 -0.001 0.000 0.200 178 Q C 2.014 178.128 176.000 0.190 0.000 0.974 178 Q CA 1.832 57.699 55.803 0.108 0.000 0.840 178 Q CB -0.442 28.351 28.738 0.091 0.000 0.898 178 Q HN 0.484 nan 8.270 nan 0.000 0.430 179 W N -0.760 120.554 121.300 0.024 0.000 2.363 179 W HA -0.134 4.525 4.660 -0.001 0.000 0.296 179 W C 1.762 178.311 176.519 0.050 0.000 1.212 179 W CA 1.559 58.937 57.345 0.055 0.000 1.260 179 W CB -0.057 29.436 29.460 0.056 0.000 1.131 179 W HN 0.010 nan 8.180 nan 0.000 0.530 180 V N -0.195 119.911 119.914 0.320 0.000 2.358 180 V HA -0.331 3.788 4.120 -0.001 0.000 0.246 180 V C 2.156 178.265 176.094 0.025 0.000 1.047 180 V CA 2.372 64.785 62.300 0.188 0.000 1.035 180 V CB -1.258 30.670 31.823 0.174 0.000 0.658 180 V HN 0.302 nan 8.190 nan 0.000 0.452 181 H N 0.690 119.749 119.070 -0.018 0.000 2.319 181 H HA -0.167 4.388 4.556 -0.001 0.000 0.299 181 H C 1.974 177.233 175.328 -0.115 0.000 1.092 181 H CA 2.194 58.212 56.048 -0.049 0.000 1.302 181 H CB -0.098 29.650 29.762 -0.023 0.000 1.373 181 H HN 0.388 nan 8.280 nan 0.000 0.497 182 D N -0.700 119.595 120.400 -0.176 0.000 2.234 182 D HA -0.061 4.579 4.640 -0.001 0.000 0.205 182 D C 1.008 177.107 176.300 -0.335 0.000 0.962 182 D CA 0.813 54.657 54.000 -0.261 0.000 0.855 182 D CB 0.069 40.773 40.800 -0.161 0.000 0.951 182 D HN 0.534 nan 8.370 nan 0.000 0.500 183 N N -0.159 118.255 118.700 -0.477 0.000 2.193 183 N HA 0.021 4.761 4.740 -0.001 0.000 0.210 183 N C 1.504 176.889 175.510 -0.209 0.000 1.215 183 N CA -0.175 52.636 53.050 -0.398 0.000 0.901 183 N CB 1.017 38.933 38.487 -0.952 0.000 1.060 183 N HN 0.011 nan 8.380 nan 0.000 0.508 184 I N 3.172 123.629 120.570 -0.189 0.000 2.530 184 I HA -0.266 3.904 4.170 -0.001 0.000 0.257 184 I C 2.558 178.658 176.117 -0.029 0.000 1.179 184 I CA 1.365 62.662 61.300 -0.004 0.000 1.440 184 I CB -0.191 37.804 38.000 -0.008 0.000 1.087 184 I HN 0.211 nan 8.210 nan 0.000 0.440 185 Q N -0.816 118.782 119.800 -0.336 0.000 2.170 185 Q HA -0.225 4.114 4.340 -0.001 0.000 0.203 185 Q C 1.931 177.667 176.000 -0.440 0.000 0.976 185 Q CA 1.618 57.157 55.803 -0.439 0.000 0.858 185 Q CB -0.855 27.494 28.738 -0.649 0.000 0.907 185 Q HN 0.410 nan 8.270 nan 0.000 0.433 186 F N 0.082 120.012 119.950 -0.035 0.000 2.451 186 F HA 0.045 4.571 4.527 -0.001 0.000 0.299 186 F C 1.044 176.667 175.800 -0.294 0.000 1.101 186 F CA 0.378 58.272 58.000 -0.176 0.000 1.436 186 F CB -0.225 38.608 39.000 -0.278 0.000 1.074 186 F HN 0.004 nan 8.300 nan 0.000 0.553 187 F N -0.308 119.636 119.950 -0.010 0.000 2.693 187 F HA 0.396 4.922 4.527 -0.001 0.000 0.303 187 F C 1.807 177.614 175.800 0.012 0.000 1.097 187 F CA 0.222 58.205 58.000 -0.030 0.000 1.330 187 F CB -0.330 38.626 39.000 -0.074 0.000 1.067 187 F HN 0.060 nan 8.300 nan 0.000 0.565 188 G N 0.229 109.090 108.800 0.102 0.000 2.143 188 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.249 188 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.249 188 G C 0.589 175.530 174.900 0.067 0.000 0.981 188 G CA -0.159 44.984 45.100 0.071 0.000 0.665 188 G HN 0.746 nan 8.290 nan 0.000 0.528 189 G N -0.561 108.282 108.800 0.071 0.000 2.389 189 G HA2 0.502 4.461 3.960 -0.001 0.000 0.317 189 G HA3 0.502 4.461 3.960 -0.001 0.000 0.317 189 G C -0.721 174.167 174.900 -0.020 0.000 1.137 189 G CA 0.161 45.290 45.100 0.047 0.000 0.870 189 G HN 0.232 nan 8.290 nan 0.000 0.496 190 D N 1.901 122.292 120.400 -0.015 0.000 2.365 190 D HA 0.211 4.850 4.640 -0.001 0.000 0.237 190 D C -0.983 175.293 176.300 -0.041 0.000 1.190 190 D CA -2.323 51.653 54.000 -0.041 0.000 0.867 190 D CB 1.761 42.546 40.800 -0.025 0.000 1.050 190 D HN 0.097 nan 8.370 nan 0.000 0.491 191 P HA -0.081 nan 4.420 nan 0.000 0.234 191 P C 0.436 177.735 177.300 -0.002 0.000 1.167 191 P CA 0.631 63.688 63.100 -0.071 0.000 0.763 191 P CB 0.344 31.912 31.700 -0.221 0.000 0.835 192 K N -0.703 119.687 120.400 -0.017 0.000 2.379 192 K HA 0.099 4.418 4.320 -0.001 0.000 0.194 192 K C 0.305 176.904 176.600 -0.001 0.000 1.031 192 K CA 0.713 56.999 56.287 -0.002 0.000 1.037 192 K CB 0.182 32.669 32.500 -0.022 0.000 0.824 192 K HN 0.054 nan 8.250 nan 0.000 0.516 193 T N 1.386 115.941 114.554 0.001 0.000 3.466 193 T HA 0.249 4.599 4.350 -0.001 0.000 0.297 193 T C -0.623 174.091 174.700 0.022 0.000 1.640 193 T CA -0.450 61.646 62.100 -0.006 0.000 1.631 193 T CB 0.663 69.514 68.868 -0.028 0.000 0.928 193 T HN -0.247 nan 8.240 nan 0.000 0.688 194 V N 2.048 122.002 119.914 0.067 0.000 2.398 194 V HA 0.513 4.632 4.120 -0.001 0.000 0.286 194 V C 0.286 176.473 176.094 0.155 0.000 1.026 194 V CA -0.477 61.891 62.300 0.114 0.000 0.868 194 V CB 1.698 33.616 31.823 0.158 0.000 0.982 194 V HN 0.573 nan 8.190 nan 0.000 0.443 195 T N 6.349 120.982 114.554 0.132 0.000 2.792 195 T HA 0.581 4.931 4.350 -0.001 0.000 0.280 195 T C -0.162 174.652 174.700 0.190 0.000 0.990 195 T CA -0.200 61.993 62.100 0.156 0.000 0.960 195 T CB 0.902 69.822 68.868 0.086 0.000 0.939 195 T HN 0.617 nan 8.240 nan 0.000 0.439 196 I N 1.815 122.459 120.570 0.124 0.000 2.385 196 I HA 0.834 5.004 4.170 -0.001 0.000 0.294 196 I C -0.834 175.436 176.117 0.255 0.000 0.988 196 I CA -0.914 60.441 61.300 0.093 0.000 1.265 196 I CB 0.753 38.592 38.000 -0.268 0.000 1.388 196 I HN 0.465 nan 8.210 nan 0.000 0.480 197 F N 3.358 123.330 119.950 0.038 0.000 2.588 197 F HA 1.016 5.543 4.527 -0.001 0.000 0.310 197 F C -0.377 175.385 175.800 -0.062 0.000 1.082 197 F CA -1.484 56.571 58.000 0.092 0.000 0.929 197 F CB 1.370 40.538 39.000 0.280 0.000 1.254 197 F HN 0.815 nan 8.300 nan 0.000 0.455 198 G N 1.057 109.690 108.800 -0.279 0.000 2.623 198 G HA2 0.491 4.450 3.960 -0.001 0.000 0.290 198 G HA3 0.491 4.450 3.960 -0.001 0.000 0.290 198 G C -2.390 172.301 174.900 -0.348 0.000 1.437 198 G CA -0.748 43.827 45.100 -0.876 0.000 0.798 198 G HN 0.887 nan 8.290 nan 0.000 0.488 202 G N 0.346 108.916 108.800 -0.384 0.000 2.403 202 G HA2 0.215 4.175 3.960 -0.001 0.000 0.216 202 G HA3 0.215 4.175 3.960 -0.001 0.000 0.216 202 G C 1.471 176.167 174.900 -0.339 0.000 1.154 202 G CA 1.588 46.430 45.100 -0.430 0.000 0.784 202 G HN 1.060 nan 8.290 nan 0.000 0.538 203 G N 1.098 109.760 108.800 -0.230 0.000 2.402 203 G HA2 0.080 4.040 3.960 -0.001 0.000 0.216 203 G HA3 0.080 4.040 3.960 -0.001 0.000 0.216 203 G C 2.037 176.811 174.900 -0.210 0.000 1.162 203 G CA 1.462 46.463 45.100 -0.165 0.000 0.777 203 G HN 0.592 nan 8.290 nan 0.000 0.539 204 A N 0.934 123.638 122.820 -0.194 0.000 1.877 204 A HA -0.020 4.300 4.320 -0.001 0.000 0.216 204 A C 2.707 180.188 177.584 -0.172 0.000 1.186 204 A CA 2.306 54.206 52.037 -0.229 0.000 0.620 204 A CB -0.729 18.140 19.000 -0.219 0.000 0.822 204 A HN 0.306 nan 8.150 nan 0.000 0.443 205 S N -0.439 115.175 115.700 -0.143 0.000 2.359 205 S HA -0.160 4.309 4.470 -0.001 0.000 0.224 205 S C 1.906 176.390 174.600 -0.193 0.000 1.035 205 S CA 1.492 59.590 58.200 -0.170 0.000 1.018 205 S CB -0.588 62.469 63.200 -0.237 0.000 0.876 205 S HN 0.349 nan 8.310 nan 0.000 0.448 206 V N 1.558 121.371 119.914 -0.169 0.000 2.332 206 V HA -0.198 3.921 4.120 -0.001 0.000 0.248 206 V C 2.577 178.599 176.094 -0.120 0.000 1.055 206 V CA 2.052 64.270 62.300 -0.136 0.000 1.038 206 V CB -1.422 30.306 31.823 -0.158 0.000 0.651 206 V HN 0.614 nan 8.190 nan 0.000 0.450 207 G N -1.107 107.570 108.800 -0.206 0.000 2.422 207 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.218 207 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.218 207 G C 1.569 176.444 174.900 -0.042 0.000 1.140 207 G CA 0.791 45.748 45.100 -0.239 0.000 0.775 207 G HN 0.466 nan 8.290 nan 0.000 0.545 208 M N -0.118 119.463 119.600 -0.032 0.000 2.254 208 M HA 0.046 4.526 4.480 -0.001 0.000 0.265 208 M C 2.202 178.580 176.300 0.131 0.000 1.066 208 M CA 0.797 56.209 55.300 0.187 0.000 1.123 208 M CB -0.236 32.503 32.600 0.231 0.000 1.388 208 M HN 0.149 nan 8.290 nan 0.000 0.425 209 H N -0.031 119.141 119.070 0.169 0.000 2.462 209 H HA 0.065 4.621 4.556 -0.001 0.000 0.292 209 H C 2.104 177.615 175.328 0.305 0.000 1.049 209 H CA 1.188 57.330 56.048 0.156 0.000 1.334 209 H CB -0.158 29.587 29.762 -0.028 0.000 1.404 209 H HN 0.408 nan 8.280 nan 0.000 0.544 210 I N 0.375 121.187 120.570 0.403 0.000 2.315 210 I HA -0.234 3.936 4.170 -0.001 0.000 0.248 210 I C 2.173 178.525 176.117 0.392 0.000 1.117 210 I CA 0.780 62.373 61.300 0.489 0.000 1.404 210 I CB -0.031 38.199 38.000 0.382 0.000 1.071 210 I HN 0.109 nan 8.210 nan 0.000 0.419 211 L N -0.618 120.803 121.223 0.330 0.000 2.023 211 L HA -0.075 4.265 4.340 -0.001 0.000 0.205 211 L C 1.543 178.524 176.870 0.186 0.000 1.073 211 L CA 0.419 55.456 54.840 0.329 0.000 0.745 211 L CB -0.435 41.854 42.059 0.383 0.000 0.900 211 L HN 0.039 nan 8.230 nan 0.000 0.435 212 S N 0.138 115.857 115.700 0.031 0.000 2.546 212 S HA 0.028 4.497 4.470 -0.001 0.000 0.290 212 S C -1.493 172.987 174.600 -0.200 0.000 1.262 212 S CA -1.152 56.868 58.200 -0.300 0.000 1.083 212 S CB 0.819 63.410 63.200 -1.015 0.000 0.859 212 S HN -0.064 nan 8.310 nan 0.000 0.495 213 P HA -0.042 nan 4.420 nan 0.000 0.215 213 P C 1.462 178.673 177.300 -0.148 0.000 1.153 213 P CA 1.037 64.066 63.100 -0.119 0.000 0.853 213 P CB -0.095 31.546 31.700 -0.099 0.000 0.788 214 G N -1.470 107.194 108.800 -0.226 0.000 2.586 214 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.215 214 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.215 214 G C 1.340 176.151 174.900 -0.148 0.000 1.128 214 G CA 0.704 45.689 45.100 -0.192 0.000 0.774 214 G HN 0.237 nan 8.290 nan 0.000 0.543 215 S N -0.483 115.146 115.700 -0.118 0.000 2.539 215 S HA 0.082 4.552 4.470 -0.001 0.000 0.226 215 S C 2.272 176.946 174.600 0.123 0.000 1.054 215 S CA -0.434 57.794 58.200 0.046 0.000 0.910 215 S CB 0.181 63.526 63.200 0.242 0.000 0.818 215 S HN 0.391 nan 8.310 nan 0.000 0.490 216 R N 2.011 122.536 120.500 0.041 0.000 2.154 216 R HA -0.136 4.203 4.340 -0.001 0.000 0.248 216 R C 0.483 176.580 176.300 -0.338 0.000 1.155 216 R CA 1.564 57.592 56.100 -0.120 0.000 0.979 216 R CB -0.828 29.416 30.300 -0.092 0.000 0.869 216 R HN 0.306 nan 8.270 nan 0.000 0.452 217 D N 0.743 121.021 120.400 -0.204 0.000 2.363 217 D HA 0.026 4.666 4.640 -0.001 0.000 0.220 217 D C 1.608 177.760 176.300 -0.248 0.000 0.994 217 D CA 0.552 54.414 54.000 -0.230 0.000 0.890 217 D CB 0.030 40.719 40.800 -0.186 0.000 0.906 217 D HN 0.228 nan 8.370 nan 0.000 0.530 218 L N -0.301 120.833 121.223 -0.149 0.000 2.591 218 L HA 0.161 4.500 4.340 -0.001 0.000 0.228 218 L C -0.035 176.926 176.870 0.152 0.000 1.133 218 L CA -0.030 54.774 54.840 -0.060 0.000 0.880 218 L CB -0.275 41.789 42.059 0.008 0.000 1.033 218 L HN -0.043 nan 8.230 nan 0.000 0.450 219 F N -4.099 115.832 119.950 -0.032 0.000 2.711 219 F HA 0.565 5.091 4.527 -0.001 0.000 0.313 219 F C 0.457 176.268 175.800 0.019 0.000 1.141 219 F CA -1.366 56.640 58.000 0.009 0.000 0.941 219 F CB 1.199 40.206 39.000 0.013 0.000 1.349 219 F HN -0.394 nan 8.300 nan 0.000 0.464 220 R N 0.712 121.285 120.500 0.123 0.000 2.087 220 R HA 0.449 4.789 4.340 -0.001 0.000 0.213 220 R C -0.013 176.345 176.300 0.097 0.000 1.137 220 R CA 1.155 57.260 56.100 0.008 0.000 1.022 220 R CB 0.253 30.561 30.300 0.013 0.000 0.920 220 R HN 0.839 nan 8.270 nan 0.000 0.451 221 R N -1.411 119.249 120.500 0.268 0.000 2.810 221 R HA 0.799 5.138 4.340 -0.001 0.000 0.266 221 R C -1.597 174.939 176.300 0.393 0.000 1.061 221 R CA -0.780 55.495 56.100 0.292 0.000 0.943 221 R CB 1.232 31.555 30.300 0.037 0.000 1.237 221 R HN 0.067 nan 8.270 nan 0.000 0.459 222 A N 0.733 123.789 122.820 0.394 0.000 2.539 222 A HA 0.739 5.058 4.320 -0.001 0.000 0.296 222 A C -1.195 176.502 177.584 0.188 0.000 1.073 222 A CA -0.917 51.277 52.037 0.262 0.000 0.700 222 A CB 1.641 20.739 19.000 0.163 0.000 1.296 222 A HN 0.605 nan 8.150 nan 0.000 0.405 223 I N 1.242 121.872 120.570 0.099 0.000 2.498 223 I HA 0.422 4.591 4.170 -0.001 0.000 0.290 223 I C -1.524 174.620 176.117 0.044 0.000 1.032 223 I CA -0.619 60.655 61.300 -0.043 0.000 1.073 223 I CB 1.966 39.907 38.000 -0.098 0.000 1.251 223 I HN 0.428 nan 8.210 nan 0.000 0.426 224 L N 6.331 127.554 121.223 -0.000 0.000 2.349 224 L HA 0.450 4.790 4.340 -0.001 0.000 0.278 224 L C -0.599 176.336 176.870 0.109 0.000 0.996 224 L CA -0.247 54.597 54.840 0.007 0.000 0.825 224 L CB 1.726 43.723 42.059 -0.104 0.000 1.243 224 L HN 0.491 nan 8.230 nan 0.000 0.412 225 Q N 1.874 121.784 119.800 0.183 0.000 2.368 225 Q HA 0.506 4.845 4.340 -0.001 0.000 0.263 225 Q C -0.130 175.982 176.000 0.186 0.000 1.009 225 Q CA -0.550 55.431 55.803 0.297 0.000 0.818 225 Q CB 1.566 30.586 28.738 0.470 0.000 1.239 225 Q HN 0.632 nan 8.270 nan 0.000 0.464 226 S N 1.123 116.919 115.700 0.161 0.000 3.706 226 S HA -0.140 4.330 4.470 -0.001 0.000 0.363 226 S C -0.040 174.685 174.600 0.208 0.000 0.999 226 S CA 0.567 58.881 58.200 0.191 0.000 1.143 226 S CB -1.117 62.235 63.200 0.254 0.000 0.902 226 S HN 0.978 nan 8.310 nan 0.000 0.476 227 G N -0.648 108.217 108.800 0.108 0.000 2.596 227 G HA2 0.566 4.525 3.960 -0.001 0.000 0.296 227 G HA3 0.566 4.525 3.960 -0.001 0.000 0.296 227 G C -1.231 173.598 174.900 -0.119 0.000 1.513 227 G CA -0.051 45.100 45.100 0.086 0.000 0.851 227 G HN 0.392 nan 8.290 nan 0.000 0.548 228 S N 1.055 116.612 115.700 -0.239 0.000 2.564 228 S HA 0.730 5.200 4.470 -0.001 0.000 0.274 228 S C -1.790 172.519 174.600 -0.484 0.000 1.124 228 S CA -1.035 56.891 58.200 -0.457 0.000 0.869 228 S CB 2.888 65.890 63.200 -0.330 0.000 1.105 228 S HN 0.474 nan 8.310 nan 0.000 0.472 229 P HA -0.065 nan 4.420 nan 0.000 0.223 229 P C 0.476 177.555 177.300 -0.369 0.000 1.151 229 P CA 0.945 63.814 63.100 -0.384 0.000 0.787 229 P CB -0.121 31.411 31.700 -0.280 0.000 0.788 230 N N -0.744 117.775 118.700 -0.302 0.000 2.370 230 N HA -0.014 4.725 4.740 -0.001 0.000 0.198 230 N C 0.103 175.425 175.510 -0.313 0.000 1.156 230 N CA -0.218 52.696 53.050 -0.226 0.000 0.839 230 N CB -1.384 37.087 38.487 -0.027 0.000 0.989 230 N HN 0.013 nan 8.380 nan 0.000 0.468 231 C N 2.989 121.988 119.300 -0.502 0.000 2.634 231 C HA 0.068 4.528 4.460 -0.001 0.000 0.417 231 C C -0.146 174.443 174.990 -0.669 0.000 1.334 231 C CA -0.867 57.748 59.018 -0.671 0.000 1.829 231 C CB 1.027 28.036 27.740 -1.219 0.000 2.665 231 C HN 0.372 nan 8.230 nan 0.000 0.614 232 P HA -0.104 nan 4.420 nan 0.000 0.225 232 P C 1.156 178.353 177.300 -0.171 0.000 1.148 232 P CA 1.729 64.684 63.100 -0.242 0.000 0.779 232 P CB -0.079 31.546 31.700 -0.124 0.000 0.780 233 W N -1.239 120.008 121.300 -0.089 0.000 3.197 233 W HA 0.547 5.206 4.660 -0.000 0.000 0.274 233 W C 1.132 177.684 176.519 0.055 0.000 1.297 233 W CA 0.358 57.674 57.345 -0.047 0.000 1.662 233 W CB -1.139 28.184 29.460 -0.228 0.000 1.106 233 W HN -0.101 nan 8.180 nan 0.000 0.663 234 A N 1.313 123.775 122.820 -0.596 0.000 2.218 234 A HA 0.214 4.533 4.320 -0.001 0.000 0.209 234 A C 0.927 178.290 177.584 -0.368 0.000 1.168 234 A CA 0.982 52.755 52.037 -0.441 0.000 0.804 234 A CB -0.526 17.982 19.000 -0.821 0.000 0.834 234 A HN 0.193 nan 8.150 nan 0.000 0.482 235 S N -1.491 114.022 115.700 -0.312 0.000 2.565 235 S HA 0.649 5.119 4.470 -0.001 0.000 0.269 235 S C -0.763 173.715 174.600 -0.204 0.000 1.153 235 S CA -0.071 57.941 58.200 -0.313 0.000 0.835 235 S CB 1.339 64.289 63.200 -0.417 0.000 1.122 235 S HN 1.232 nan 8.310 nan 0.000 0.462 236 V N -0.810 119.001 119.914 -0.171 0.000 3.158 236 V HA 0.953 5.072 4.120 -0.001 0.000 0.311 236 V C 0.252 176.277 176.094 -0.115 0.000 1.181 236 V CA -0.498 61.733 62.300 -0.116 0.000 1.054 236 V CB 1.097 32.877 31.823 -0.071 0.000 1.085 236 V HN 1.457 nan 8.190 nan 0.000 0.446 237 S N 0.306 115.950 115.700 -0.094 0.000 2.645 237 S HA 0.381 4.850 4.470 -0.001 0.000 0.266 237 S C 1.226 175.785 174.600 -0.069 0.000 1.258 237 S CA 0.027 58.175 58.200 -0.088 0.000 0.990 237 S CB 1.267 64.421 63.200 -0.076 0.000 0.967 237 S HN 2.057 nan 8.310 nan 0.000 0.556 238 V N -1.137 118.727 119.914 -0.084 0.000 2.515 238 V HA 0.040 4.160 4.120 -0.001 0.000 0.250 238 V C 2.584 178.676 176.094 -0.004 0.000 1.058 238 V CA 1.587 63.848 62.300 -0.065 0.000 1.064 238 V CB -2.041 29.687 31.823 -0.158 0.000 0.675 238 V HN 0.998 nan 8.190 nan 0.000 0.461 239 A N 0.766 123.580 122.820 -0.009 0.000 1.877 239 A HA -0.223 4.097 4.320 -0.001 0.000 0.216 239 A C 2.219 179.804 177.584 0.001 0.000 1.186 239 A CA 2.094 54.134 52.037 0.005 0.000 0.620 239 A CB -0.707 18.291 19.000 -0.004 0.000 0.822 239 A HN 0.634 nan 8.150 nan 0.000 0.443 240 E N 0.066 120.258 120.200 -0.013 0.000 2.110 240 E HA -0.048 4.302 4.350 -0.001 0.000 0.193 240 E C 1.955 178.550 176.600 -0.008 0.000 0.988 240 E CA 1.568 57.961 56.400 -0.011 0.000 0.804 240 E CB -0.793 28.895 29.700 -0.020 0.000 0.745 240 E HN 0.406 nan 8.360 nan 0.000 0.458 241 G N 0.743 109.542 108.800 -0.001 0.000 2.418 241 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.217 241 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.217 241 G C 1.721 176.648 174.900 0.045 0.000 1.158 241 G CA 0.947 46.063 45.100 0.027 0.000 0.771 241 G HN 0.358 nan 8.290 nan 0.000 0.545 242 R N 0.339 120.861 120.500 0.037 0.000 2.083 242 R HA -0.024 4.315 4.340 -0.001 0.000 0.237 242 R C 2.657 178.972 176.300 0.025 0.000 1.137 242 R CA 1.408 57.529 56.100 0.034 0.000 0.951 242 R CB -0.372 29.951 30.300 0.039 0.000 0.851 242 R HN 0.273 nan 8.270 nan 0.000 0.434 243 R N 0.006 120.516 120.500 0.017 0.000 2.091 243 R HA -0.121 4.218 4.340 -0.001 0.000 0.238 243 R C 2.534 178.839 176.300 0.009 0.000 1.136 243 R CA 2.090 58.197 56.100 0.011 0.000 0.959 243 R CB -0.256 30.048 30.300 0.007 0.000 0.856 243 R HN 0.334 nan 8.270 nan 0.000 0.437 244 R N -0.012 120.488 120.500 0.000 0.000 2.092 244 R HA -0.023 4.316 4.340 -0.001 0.000 0.231 244 R C 2.320 178.683 176.300 0.104 0.000 1.119 244 R CA 1.129 57.220 56.100 -0.016 0.000 0.970 244 R CB -0.263 29.942 30.300 -0.158 0.000 0.864 244 R HN 0.199 nan 8.270 nan 0.000 0.440 245 A N 1.054 123.951 122.820 0.128 0.000 1.902 245 A HA -0.140 4.179 4.320 -0.001 0.000 0.217 245 A C 2.345 179.944 177.584 0.026 0.000 1.181 245 A CA 1.735 53.828 52.037 0.093 0.000 0.623 245 A CB -0.690 18.311 19.000 0.002 0.000 0.818 245 A HN 0.271 nan 8.150 nan 0.000 0.443 246 V N -1.318 118.607 119.914 0.018 0.000 2.453 246 V HA -0.150 3.970 4.120 -0.001 0.000 0.247 246 V C 2.145 178.249 176.094 0.016 0.000 1.048 246 V CA 2.723 65.028 62.300 0.007 0.000 1.049 246 V CB -0.749 31.077 31.823 0.006 0.000 0.672 246 V HN 0.498 nan 8.190 nan 0.000 0.457 247 E N 0.629 120.843 120.200 0.022 0.000 2.118 247 E HA -0.228 4.122 4.350 -0.001 0.000 0.195 247 E C 1.874 178.495 176.600 0.036 0.000 0.992 247 E CA 1.966 58.378 56.400 0.021 0.000 0.804 247 E CB -0.617 29.086 29.700 0.005 0.000 0.741 247 E HN 0.656 nan 8.360 nan 0.000 0.458 248 L N -0.305 120.959 121.223 0.069 0.000 2.046 248 L HA 0.018 4.357 4.340 -0.001 0.000 0.208 248 L C 2.201 179.083 176.870 0.021 0.000 1.077 248 L CA 2.351 57.236 54.840 0.075 0.000 0.747 248 L CB -1.020 41.110 42.059 0.118 0.000 0.896 248 L HN 0.247 nan 8.230 nan 0.000 0.432 249 G N -1.126 107.675 108.800 0.002 0.000 2.422 249 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.218 249 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.218 249 G C 1.793 176.700 174.900 0.011 0.000 1.146 249 G CA 0.761 45.859 45.100 -0.003 0.000 0.769 249 G HN 0.386 nan 8.290 nan 0.000 0.547 250 R N 0.477 120.986 120.500 0.015 0.000 2.127 250 R HA -0.023 4.317 4.340 -0.001 0.000 0.238 250 R C 2.178 178.490 176.300 0.021 0.000 1.134 250 R CA 1.401 57.511 56.100 0.017 0.000 0.975 250 R CB -0.249 30.060 30.300 0.016 0.000 0.865 250 R HN 0.320 nan 8.270 nan 0.000 0.447 251 N N -0.092 118.623 118.700 0.025 0.000 2.459 251 N HA -0.079 4.660 4.740 -0.001 0.000 0.181 251 N C 0.563 176.092 175.510 0.030 0.000 1.046 251 N CA 0.761 53.829 53.050 0.030 0.000 0.904 251 N CB 0.274 38.783 38.487 0.037 0.000 0.964 251 N HN 0.280 nan 8.380 nan 0.000 0.444 252 L N 0.388 121.626 121.223 0.024 0.000 2.910 252 L HA 0.210 4.550 4.340 -0.001 0.000 0.252 252 L C -0.565 176.319 176.870 0.023 0.000 1.195 252 L CA -0.098 54.757 54.840 0.024 0.000 1.003 252 L CB -0.278 41.792 42.059 0.018 0.000 1.328 252 L HN 0.060 nan 8.230 nan 0.000 0.540 253 N N -1.143 117.570 118.700 0.023 0.000 2.727 253 N HA -0.175 4.564 4.740 -0.001 0.000 0.251 253 N C -0.296 175.229 175.510 0.025 0.000 1.040 253 N CA 0.010 53.074 53.050 0.024 0.000 0.712 253 N CB -1.652 36.850 38.487 0.025 0.000 0.912 253 N HN 0.248 nan 8.380 nan 0.000 0.545 254 c N 0.820 119.434 118.600 0.023 0.000 2.370 254 c HA 0.318 4.888 4.570 -0.001 0.000 0.354 254 c C 1.103 175.210 174.090 0.028 0.000 1.218 254 c CA -1.029 55.316 56.329 0.026 0.000 2.154 254 c CB 0.943 43.464 42.510 0.019 0.000 2.391 254 c HN 0.467 nan 8.230 nan 0.000 0.540 255 N N 2.104 120.827 118.700 0.038 0.000 2.452 255 N HA 0.086 4.826 4.740 -0.001 0.000 0.266 255 N C -0.115 175.412 175.510 0.028 0.000 1.209 255 N CA 0.353 53.424 53.050 0.035 0.000 0.929 255 N CB 0.431 38.946 38.487 0.046 0.000 1.063 255 N HN 0.634 nan 8.380 nan 0.000 0.472 256 L N 2.965 124.200 121.223 0.020 0.000 3.017 256 L HA 0.237 4.577 4.340 -0.001 0.000 0.255 256 L C 1.121 177.998 176.870 0.012 0.000 1.247 256 L CA -0.333 54.516 54.840 0.014 0.000 1.038 256 L CB -0.107 41.959 42.059 0.011 0.000 1.380 256 L HN 0.400 nan 8.230 nan 0.000 0.548 257 N N 0.542 119.250 118.700 0.013 0.000 2.409 257 N HA -0.024 4.715 4.740 -0.001 0.000 0.179 257 N C 0.662 176.176 175.510 0.008 0.000 1.032 257 N CA 0.589 53.644 53.050 0.010 0.000 0.898 257 N CB 0.469 38.961 38.487 0.009 0.000 0.971 257 N HN 0.464 nan 8.380 nan 0.000 0.441 258 S N -1.391 114.314 115.700 0.009 0.000 2.596 258 S HA 0.337 4.807 4.470 -0.001 0.000 0.270 258 S C -0.075 174.530 174.600 0.008 0.000 1.155 258 S CA -0.819 57.385 58.200 0.007 0.000 0.827 258 S CB 1.786 64.990 63.200 0.006 0.000 1.130 258 S HN -0.268 nan 8.310 nan 0.000 0.467 259 D N 1.139 121.540 120.400 0.002 0.000 2.123 259 D HA -0.072 4.568 4.640 -0.001 0.000 0.196 259 D C 1.536 177.844 176.300 0.013 0.000 0.992 259 D CA 1.874 55.873 54.000 -0.002 0.000 0.833 259 D CB -0.245 40.551 40.800 -0.008 0.000 0.954 259 D HN 0.705 nan 8.370 nan 0.000 0.455 260 E N 0.711 120.923 120.200 0.021 0.000 2.118 260 E HA -0.142 4.207 4.350 -0.001 0.000 0.195 260 E C 2.019 178.662 176.600 0.071 0.000 0.992 260 E CA 0.813 57.237 56.400 0.041 0.000 0.804 260 E CB -0.102 29.612 29.700 0.023 0.000 0.741 260 E HN 0.335 nan 8.360 nan 0.000 0.458 261 E N 0.085 120.316 120.200 0.053 0.000 2.028 261 E HA -0.145 4.204 4.350 -0.001 0.000 0.191 261 E C 2.150 178.807 176.600 0.094 0.000 0.988 261 E CA 0.647 57.091 56.400 0.073 0.000 0.799 261 E CB -0.342 29.382 29.700 0.041 0.000 0.755 261 E HN 0.181 nan 8.360 nan 0.000 0.447 262 L N 1.339 122.591 121.223 0.048 0.000 1.994 262 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 262 L C 2.253 179.136 176.870 0.021 0.000 1.071 262 L CA 1.505 56.358 54.840 0.022 0.000 0.745 262 L CB -0.617 41.435 42.059 -0.012 0.000 0.892 262 L HN 0.049 nan 8.230 nan 0.000 0.431 263 I N -0.935 119.651 120.570 0.027 0.000 2.226 263 I HA -0.335 3.834 4.170 -0.001 0.000 0.245 263 I C 2.544 178.732 176.117 0.118 0.000 1.100 263 I CA 1.541 62.871 61.300 0.050 0.000 1.374 263 I CB -0.473 37.561 38.000 0.056 0.000 1.057 263 I HN 0.494 nan 8.210 nan 0.000 0.413 264 H N 0.260 119.363 119.070 0.055 0.000 2.319 264 H HA -0.263 4.293 4.556 -0.001 0.000 0.299 264 H C 2.426 177.791 175.328 0.061 0.000 1.092 264 H CA 2.298 58.380 56.048 0.057 0.000 1.302 264 H CB -0.500 29.283 29.762 0.035 0.000 1.373 264 H HN 0.464 nan 8.280 nan 0.000 0.497 265 c N 0.141 118.709 118.600 -0.052 0.000 2.413 265 c HA -0.115 4.455 4.570 -0.001 0.000 0.276 265 c C 2.795 176.847 174.090 -0.064 0.000 1.236 265 c CA 1.234 57.517 56.329 -0.078 0.000 1.735 265 c CB -1.485 41.040 42.510 0.025 0.000 2.031 265 c HN 0.680 nan 8.230 nan 0.000 0.474 266 L N 0.244 121.477 121.223 0.016 0.000 2.131 266 L HA -0.078 4.262 4.340 -0.001 0.000 0.210 266 L C 2.922 179.868 176.870 0.128 0.000 1.092 266 L CA 1.413 56.314 54.840 0.102 0.000 0.759 266 L CB -0.676 41.465 42.059 0.137 0.000 0.903 266 L HN 0.350 nan 8.230 nan 0.000 0.435 267 R N -0.445 120.104 120.500 0.082 0.000 2.280 267 R HA -0.079 4.261 4.340 -0.001 0.000 0.207 267 R C 1.787 178.031 176.300 -0.094 0.000 1.043 267 R CA 0.394 56.473 56.100 -0.035 0.000 1.006 267 R CB 0.015 30.294 30.300 -0.034 0.000 0.885 267 R HN 0.316 nan 8.270 nan 0.000 0.467 268 E N 0.767 120.890 120.200 -0.127 0.000 2.170 268 E HA 0.008 4.357 4.350 -0.001 0.000 0.191 268 E C 0.194 176.767 176.600 -0.045 0.000 0.981 268 E CA 0.682 57.010 56.400 -0.119 0.000 0.830 268 E CB 0.265 29.862 29.700 -0.171 0.000 0.775 268 E HN 0.039 nan 8.360 nan 0.000 0.470 269 K N 1.900 122.288 120.400 -0.019 0.000 2.355 269 K HA 0.106 4.425 4.320 -0.001 0.000 0.270 269 K C 0.561 177.182 176.600 0.036 0.000 1.003 269 K CA 0.047 56.343 56.287 0.014 0.000 0.957 269 K CB 0.650 33.166 32.500 0.027 0.000 0.939 269 K HN -0.082 nan 8.250 nan 0.000 0.482 270 K N 2.460 122.887 120.400 0.045 0.000 2.219 270 K HA 0.048 4.367 4.320 -0.001 0.000 0.258 270 K C -1.622 175.046 176.600 0.113 0.000 1.008 270 K CA -1.550 54.770 56.287 0.056 0.000 0.928 270 K CB 0.115 32.641 32.500 0.042 0.000 0.983 270 K HN 0.176 nan 8.250 nan 0.000 0.484 271 P HA -0.237 nan 4.420 nan 0.000 0.215 271 P C 1.177 178.650 177.300 0.287 0.000 1.163 271 P CA 1.388 64.667 63.100 0.299 0.000 0.894 271 P CB 0.234 31.953 31.700 0.032 0.000 0.791 272 Q N -0.015 119.881 119.800 0.160 0.000 2.368 272 Q HA -0.193 4.147 4.340 -0.001 0.000 0.210 272 Q C 1.796 177.884 176.000 0.146 0.000 0.982 272 Q CA 1.557 57.451 55.803 0.152 0.000 0.884 272 Q CB -0.807 27.992 28.738 0.102 0.000 0.933 272 Q HN 0.378 nan 8.270 nan 0.000 0.460 273 E N -1.014 119.260 120.200 0.124 0.000 2.107 273 E HA -0.138 4.211 4.350 -0.001 0.000 0.191 273 E C 1.577 178.231 176.600 0.090 0.000 0.982 273 E CA 0.780 57.237 56.400 0.095 0.000 0.809 273 E CB 0.031 29.773 29.700 0.069 0.000 0.756 273 E HN 0.256 nan 8.360 nan 0.000 0.459 274 L N 0.688 121.965 121.223 0.090 0.000 2.044 274 L HA -0.138 4.201 4.340 -0.001 0.000 0.205 274 L C 2.227 179.134 176.870 0.062 0.000 1.075 274 L CA 1.360 56.212 54.840 0.019 0.000 0.747 274 L CB -0.351 41.634 42.059 -0.124 0.000 0.903 274 L HN 0.116 nan 8.230 nan 0.000 0.435 275 I N -0.517 120.153 120.570 0.165 0.000 2.208 275 I HA -0.303 3.867 4.170 -0.001 0.000 0.245 275 I C 1.949 178.209 176.117 0.238 0.000 1.097 275 I CA 1.125 62.557 61.300 0.221 0.000 1.363 275 I CB -0.487 37.710 38.000 0.327 0.000 1.051 275 I HN 0.250 nan 8.210 nan 0.000 0.413 276 D N 0.362 120.890 120.400 0.214 0.000 2.182 276 D HA -0.140 4.499 4.640 -0.001 0.000 0.201 276 D C 2.021 178.441 176.300 0.200 0.000 0.986 276 D CA 1.668 55.800 54.000 0.220 0.000 0.847 276 D CB -0.076 40.819 40.800 0.158 0.000 0.942 276 D HN 0.409 nan 8.370 nan 0.000 0.467 277 V N -1.404 118.590 119.914 0.134 0.000 3.578 277 V HA 0.140 4.260 4.120 -0.001 0.000 0.290 277 V C 1.701 177.834 176.094 0.066 0.000 1.376 277 V CA 0.374 62.738 62.300 0.107 0.000 1.083 277 V CB -0.153 31.714 31.823 0.074 0.000 0.911 277 V HN 0.107 nan 8.190 nan 0.000 0.433 278 E N 0.175 120.368 120.200 -0.010 0.000 2.333 278 E HA -0.225 4.124 4.350 -0.001 0.000 0.198 278 E C 1.418 177.842 176.600 -0.293 0.000 1.007 278 E CA 1.600 57.924 56.400 -0.126 0.000 0.845 278 E CB -0.434 29.143 29.700 -0.205 0.000 0.766 278 E HN 0.778 nan 8.360 nan 0.000 0.507 279 W N 1.060 122.355 121.300 -0.008 0.000 3.256 279 W HA 0.190 4.850 4.660 -0.001 0.000 0.269 279 W C 1.119 177.582 176.519 -0.094 0.000 1.310 279 W CA -0.417 56.870 57.345 -0.098 0.000 1.673 279 W CB 0.220 29.590 29.460 -0.150 0.000 1.115 279 W HN 0.023 nan 8.180 nan 0.000 0.686 280 N N 0.212 118.970 118.700 0.096 0.000 2.336 280 N HA -0.053 4.686 4.740 -0.001 0.000 0.189 280 N C 1.769 177.268 175.510 -0.018 0.000 1.113 280 N CA 0.959 54.035 53.050 0.044 0.000 0.858 280 N CB -0.141 38.377 38.487 0.052 0.000 0.970 280 N HN 0.262 nan 8.380 nan 0.000 0.471 281 V N -1.745 118.129 119.914 -0.065 0.000 3.125 281 V HA 0.216 4.335 4.120 -0.001 0.000 0.249 281 V C 0.840 176.827 176.094 -0.179 0.000 1.113 281 V CA -0.111 62.126 62.300 -0.105 0.000 1.106 281 V CB -0.398 31.365 31.823 -0.100 0.000 0.768 281 V HN 0.005 nan 8.190 nan 0.000 0.468 282 L N 3.434 124.505 121.223 -0.253 0.000 2.559 282 L HA 0.272 4.612 4.340 -0.001 0.000 0.274 282 L C -0.958 175.708 176.870 -0.340 0.000 1.205 282 L CA -0.523 54.085 54.840 -0.386 0.000 0.907 282 L CB 0.445 42.182 42.059 -0.537 0.000 1.153 282 L HN 0.191 nan 8.230 nan 0.000 0.490 283 P HA 0.009 nan 4.420 nan 0.000 0.245 283 P C -0.832 176.507 177.300 0.065 0.000 1.212 283 P CA 0.496 63.567 63.100 -0.049 0.000 0.774 283 P CB -0.322 31.430 31.700 0.087 0.000 0.999 284 F N -2.525 117.409 119.950 -0.027 0.000 2.662 284 F HA 0.671 5.197 4.527 -0.001 0.000 0.312 284 F C -0.874 174.891 175.800 -0.058 0.000 1.113 284 F CA -2.017 55.963 58.000 -0.035 0.000 0.951 284 F CB 0.264 39.243 39.000 -0.034 0.000 1.344 284 F HN -0.411 nan 8.300 nan 0.000 0.462 285 D N 1.121 121.591 120.400 0.116 0.000 2.264 285 D HA 0.559 5.199 4.640 -0.001 0.000 0.250 285 D C -0.640 175.706 176.300 0.076 0.000 1.113 285 D CA 0.401 54.406 54.000 0.008 0.000 0.871 285 D CB 1.522 42.330 40.800 0.012 0.000 1.167 285 D HN 0.940 nan 8.370 nan 0.000 0.447 286 S N 3.246 118.922 115.700 -0.040 0.000 2.643 286 S HA 0.288 4.758 4.470 -0.001 0.000 0.270 286 S C 0.836 175.339 174.600 -0.162 0.000 1.166 286 S CA -0.778 57.398 58.200 -0.040 0.000 0.815 286 S CB 0.474 63.731 63.200 0.094 0.000 1.139 286 S HN 0.183 nan 8.310 nan 0.000 0.472 287 I N 0.220 120.626 120.570 -0.274 0.000 2.208 287 I HA 0.081 4.250 4.170 -0.001 0.000 0.245 287 I C 0.302 176.113 176.117 -0.511 0.000 1.097 287 I CA 1.297 62.324 61.300 -0.455 0.000 1.363 287 I CB -1.050 36.504 38.000 -0.744 0.000 1.051 287 I HN 0.519 nan 8.210 nan 0.000 0.413 288 F N 0.914 120.731 119.950 -0.223 0.000 2.408 288 F HA 0.386 4.913 4.527 -0.001 0.000 0.344 288 F C 1.449 176.975 175.800 -0.458 0.000 1.112 288 F CA -0.601 57.159 58.000 -0.400 0.000 1.096 288 F CB 0.614 39.198 39.000 -0.694 0.000 1.129 288 F HN -0.173 nan 8.300 nan 0.000 0.486 289 R N 2.822 123.262 120.500 -0.100 0.000 2.509 289 R HA 0.154 4.494 4.340 -0.001 0.000 0.300 289 R C -0.687 175.695 176.300 0.138 0.000 0.985 289 R CA -0.166 55.915 56.100 -0.033 0.000 1.092 289 R CB -0.268 30.060 30.300 0.047 0.000 1.237 289 R HN 0.507 nan 8.270 nan 0.000 0.546 290 F N -1.641 118.373 119.950 0.107 0.000 2.384 290 F HA 0.401 4.927 4.527 -0.001 0.000 0.338 290 F C 1.150 176.801 175.800 -0.248 0.000 1.103 290 F CA -0.730 57.148 58.000 -0.202 0.000 1.157 290 F CB 0.831 39.778 39.000 -0.088 0.000 1.167 290 F HN -0.327 nan 8.300 nan 0.000 0.529 291 S N 0.613 116.135 115.700 -0.297 0.000 2.506 291 S HA 0.259 4.729 4.470 -0.001 0.000 0.219 291 S C -0.206 173.969 174.600 -0.708 0.000 1.031 291 S CA -0.128 57.703 58.200 -0.614 0.000 0.911 291 S CB -0.090 62.520 63.200 -0.982 0.000 0.812 291 S HN 0.433 nan 8.310 nan 0.000 0.497 292 F N 3.006 123.009 119.950 0.088 0.000 2.335 292 F HA 0.530 5.056 4.527 -0.001 0.000 0.365 292 F C 0.259 176.095 175.800 0.059 0.000 1.122 292 F CA -1.045 57.020 58.000 0.107 0.000 1.151 292 F CB 0.563 39.646 39.000 0.138 0.000 1.282 292 F HN -0.112 nan 8.300 nan 0.000 0.513 293 V N 0.910 120.823 119.914 -0.003 0.000 3.156 293 V HA 0.754 4.874 4.120 -0.001 0.000 0.310 293 V C -2.894 172.911 176.094 -0.483 0.000 1.234 293 V CA -3.295 58.685 62.300 -0.532 0.000 1.065 293 V CB 1.925 33.557 31.823 -0.319 0.000 1.088 293 V HN 0.208 nan 8.190 nan 0.000 0.451 294 P HA 0.272 nan 4.420 nan 0.000 0.266 294 P C -0.663 176.547 177.300 -0.149 0.000 1.193 294 P CA 0.248 63.158 63.100 -0.317 0.000 0.770 294 P CB 0.444 31.893 31.700 -0.419 0.000 0.836 295 V N 1.050 120.969 119.914 0.008 0.000 2.628 295 V HA 0.418 4.537 4.120 -0.001 0.000 0.306 295 V C 0.041 176.168 176.094 0.056 0.000 1.045 295 V CA -0.896 61.397 62.300 -0.013 0.000 0.905 295 V CB 1.724 33.550 31.823 0.005 0.000 0.997 295 V HN 0.232 nan 8.190 nan 0.000 0.436 296 I N 4.900 125.432 120.570 -0.064 0.000 2.311 296 I HA 0.198 4.368 4.170 -0.001 0.000 0.297 296 I C 0.897 177.016 176.117 0.003 0.000 1.131 296 I CA 0.166 61.451 61.300 -0.025 0.000 1.289 296 I CB 0.133 38.044 38.000 -0.148 0.000 1.446 296 I HN 0.973 nan 8.210 nan 0.000 0.524 297 D N 3.571 124.036 120.400 0.108 0.000 2.389 297 D HA 0.070 4.709 4.640 -0.001 0.000 0.206 297 D C 1.339 177.620 176.300 -0.032 0.000 1.055 297 D CA 0.775 54.728 54.000 -0.077 0.000 0.856 297 D CB 0.649 41.458 40.800 0.015 0.000 0.957 297 D HN 0.653 nan 8.370 nan 0.000 0.509 298 G N 0.407 109.259 108.800 0.086 0.000 2.175 298 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.244 298 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.244 298 G C 0.807 175.769 174.900 0.104 0.000 0.982 298 G CA 0.610 45.764 45.100 0.091 0.000 0.641 298 G HN 0.457 nan 8.290 nan 0.000 0.527 299 E N -1.473 118.801 120.200 0.122 0.000 2.949 299 E HA 0.475 4.825 4.350 -0.001 0.000 0.182 299 E C 1.652 178.271 176.600 0.032 0.000 1.154 299 E CA -0.114 56.337 56.400 0.085 0.000 1.205 299 E CB -0.168 29.600 29.700 0.113 0.000 1.865 299 E HN 0.155 nan 8.360 nan 0.000 0.516 300 F N 0.723 120.601 119.950 -0.121 0.000 2.126 300 F HA -0.023 4.504 4.527 -0.001 0.000 0.299 300 F C 0.019 175.534 175.800 -0.475 0.000 1.096 300 F CA 1.189 58.978 58.000 -0.351 0.000 1.255 300 F CB 0.250 38.947 39.000 -0.505 0.000 0.997 300 F HN -0.094 nan 8.300 nan 0.000 0.479 301 F N 0.616 120.707 119.950 0.235 0.000 2.403 301 F HA 0.359 4.885 4.527 -0.001 0.000 0.355 301 F C -1.607 174.227 175.800 0.057 0.000 1.119 301 F CA -2.772 55.306 58.000 0.129 0.000 1.007 301 F CB 0.626 39.702 39.000 0.127 0.000 1.194 301 F HN -0.259 nan 8.300 nan 0.000 0.443 302 P HA -0.108 nan 4.420 nan 0.000 0.215 302 P C 0.549 177.908 177.300 0.100 0.000 1.157 302 P CA 1.770 64.930 63.100 0.100 0.000 0.874 302 P CB 0.144 31.878 31.700 0.057 0.000 0.790 303 T N -5.947 108.673 114.554 0.109 0.000 2.626 303 T HA 0.463 4.812 4.350 -0.001 0.000 0.279 303 T C -0.259 174.473 174.700 0.053 0.000 0.983 303 T CA -0.636 61.505 62.100 0.067 0.000 1.059 303 T CB 0.607 69.501 68.868 0.044 0.000 1.396 303 T HN 0.000 nan 8.240 nan 0.000 0.519 304 S N 0.232 115.940 115.700 0.014 0.000 2.563 304 S HA 0.148 4.618 4.470 -0.001 0.000 0.284 304 S C 1.554 176.148 174.600 -0.010 0.000 1.331 304 S CA -0.722 57.463 58.200 -0.024 0.000 1.047 304 S CB -0.404 62.783 63.200 -0.022 0.000 0.859 304 S HN 0.650 nan 8.310 nan 0.000 0.514 305 L N 0.663 121.841 121.223 -0.075 0.000 2.043 305 L HA -0.159 4.180 4.340 -0.001 0.000 0.212 305 L C 2.934 179.840 176.870 0.060 0.000 1.075 305 L CA 2.108 56.926 54.840 -0.036 0.000 0.752 305 L CB -0.795 41.186 42.059 -0.130 0.000 0.891 305 L HN 0.812 nan 8.230 nan 0.000 0.432 306 E N 0.640 120.871 120.200 0.051 0.000 2.077 306 E HA -0.194 4.156 4.350 -0.001 0.000 0.193 306 E C 2.242 178.908 176.600 0.111 0.000 0.989 306 E CA 1.786 58.250 56.400 0.108 0.000 0.800 306 E CB -0.095 29.655 29.700 0.083 0.000 0.746 306 E HN 0.502 nan 8.360 nan 0.000 0.452 307 S N -0.325 115.419 115.700 0.073 0.000 2.383 307 S HA -0.170 4.299 4.470 -0.001 0.000 0.227 307 S C 2.152 176.798 174.600 0.077 0.000 1.026 307 S CA 1.310 59.550 58.200 0.066 0.000 0.981 307 S CB -0.383 62.840 63.200 0.040 0.000 0.818 307 S HN 0.235 nan 8.310 nan 0.000 0.472 308 M N 1.065 120.726 119.600 0.101 0.000 2.086 308 M HA 0.001 4.481 4.480 -0.001 0.000 0.261 308 M C 2.300 178.733 176.300 0.222 0.000 1.067 308 M CA 1.474 56.855 55.300 0.135 0.000 1.116 308 M CB -0.712 32.001 32.600 0.189 0.000 1.348 308 M HN 0.307 nan 8.290 nan 0.000 0.407 309 L N 0.028 121.408 121.223 0.261 0.000 2.042 309 L HA -0.269 4.071 4.340 -0.001 0.000 0.210 309 L C 2.247 179.299 176.870 0.304 0.000 1.076 309 L CA 1.088 56.130 54.840 0.336 0.000 0.749 309 L CB -0.865 41.309 42.059 0.191 0.000 0.893 309 L HN 0.401 nan 8.230 nan 0.000 0.432 310 N N -0.238 118.577 118.700 0.192 0.000 2.166 310 N HA -0.133 4.607 4.740 -0.001 0.000 0.186 310 N C 1.847 177.448 175.510 0.153 0.000 1.019 310 N CA 1.757 54.917 53.050 0.183 0.000 0.856 310 N CB -0.083 38.484 38.487 0.133 0.000 0.993 310 N HN 0.371 nan 8.380 nan 0.000 0.426 311 S N -1.172 114.526 115.700 -0.003 0.000 2.575 311 S HA 0.286 4.756 4.470 -0.001 0.000 0.215 311 S C 1.297 175.503 174.600 -0.657 0.000 0.966 311 S CA 0.350 58.448 58.200 -0.170 0.000 0.911 311 S CB 0.396 63.523 63.200 -0.122 0.000 0.780 311 S HN 0.369 nan 8.310 nan 0.000 0.514 312 G N 2.072 110.281 108.800 -0.984 0.000 2.143 312 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.248 312 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.248 312 G C -0.008 174.107 174.900 -1.308 0.000 0.991 312 G CA 0.057 43.959 45.100 -1.996 0.000 0.689 312 G HN 0.591 nan 8.290 nan 0.000 0.522 313 N N 0.683 119.022 118.700 -0.603 0.000 2.895 313 N HA 0.504 5.243 4.740 -0.001 0.000 0.277 313 N C -0.153 175.313 175.510 -0.073 0.000 1.185 313 N CA -0.013 52.852 53.050 -0.308 0.000 1.106 313 N CB -0.922 37.503 38.487 -0.105 0.000 1.422 313 N HN 0.730 nan 8.380 nan 0.000 0.521 314 F N -0.960 118.944 119.950 -0.076 0.000 2.770 314 F HA 0.376 4.903 4.527 -0.000 0.000 0.313 314 F C -0.394 175.428 175.800 0.037 0.000 1.154 314 F CA -1.439 56.584 58.000 0.039 0.000 0.923 314 F CB 0.592 39.688 39.000 0.160 0.000 1.301 314 F HN -0.115 nan 8.300 nan 0.000 0.449 315 K N 1.808 122.457 120.400 0.415 0.000 2.447 315 K HA 0.221 4.541 4.320 -0.001 0.000 0.281 315 K C -1.031 175.814 176.600 0.408 0.000 1.031 315 K CA -0.181 56.262 56.287 0.259 0.000 1.019 315 K CB 0.511 33.103 32.500 0.154 0.000 0.918 315 K HN 0.680 nan 8.250 nan 0.000 0.476 316 K N 2.781 123.298 120.400 0.195 0.000 2.253 316 K HA 0.200 4.519 4.320 -0.001 0.000 0.277 316 K C -0.209 176.517 176.600 0.209 0.000 1.053 316 K CA -0.195 56.211 56.287 0.198 0.000 0.892 316 K CB 1.853 34.378 32.500 0.042 0.000 1.102 316 K HN 0.709 nan 8.250 nan 0.000 0.469 317 T N 1.385 116.143 114.554 0.341 0.000 2.646 317 T HA 0.260 4.610 4.350 -0.001 0.000 0.297 317 T C -1.507 173.390 174.700 0.329 0.000 1.363 317 T CA -0.661 61.590 62.100 0.252 0.000 1.056 317 T CB 0.537 69.519 68.868 0.190 0.000 1.779 317 T HN 0.385 nan 8.240 nan 0.000 0.459 318 Q N 1.003 120.966 119.800 0.273 0.000 2.235 318 Q HA 0.770 5.110 4.340 -0.001 0.000 0.256 318 Q C -0.452 175.830 176.000 0.470 0.000 0.951 318 Q CA -0.524 55.496 55.803 0.362 0.000 0.890 318 Q CB 1.516 30.458 28.738 0.340 0.000 1.279 318 Q HN 0.692 nan 8.270 nan 0.000 0.444 319 I N -1.428 119.361 120.570 0.366 0.000 2.730 319 I HA 0.715 4.884 4.170 -0.001 0.000 0.298 319 I C -1.438 174.573 176.117 -0.177 0.000 1.089 319 I CA -1.382 60.002 61.300 0.140 0.000 1.041 319 I CB 1.889 39.801 38.000 -0.146 0.000 1.235 319 I HN 0.527 nan 8.210 nan 0.000 0.423 320 L N 6.784 127.661 121.223 -0.576 0.000 2.381 320 L HA 0.788 5.128 4.340 -0.001 0.000 0.274 320 L C -1.276 175.381 176.870 -0.356 0.000 0.988 320 L CA -0.504 53.889 54.840 -0.744 0.000 0.824 320 L CB 1.621 42.684 42.059 -1.659 0.000 1.263 320 L HN 0.840 nan 8.230 nan 0.000 0.410 321 L N 2.379 123.533 121.223 -0.116 0.000 2.671 321 L HA 1.111 5.450 4.340 -0.001 0.000 0.259 321 L C -0.826 175.862 176.870 -0.304 0.000 1.021 321 L CA -0.444 54.359 54.840 -0.062 0.000 0.871 321 L CB 1.933 43.937 42.059 -0.092 0.000 1.472 321 L HN 0.663 nan 8.230 nan 0.000 0.410 322 G N -0.041 108.377 108.800 -0.636 0.000 2.430 322 G HA2 0.589 4.548 3.960 -0.001 0.000 0.300 322 G HA3 0.589 4.548 3.960 -0.001 0.000 0.300 322 G C -1.525 173.014 174.900 -0.602 0.000 1.330 322 G CA -0.003 44.342 45.100 -1.258 0.000 0.813 322 G HN 1.431 nan 8.290 nan 0.000 0.487 323 V N -2.429 117.275 119.914 -0.349 0.000 3.141 323 V HA 0.856 4.976 4.120 -0.001 0.000 0.312 323 V C -0.892 175.236 176.094 0.056 0.000 1.157 323 V CA -1.457 60.838 62.300 -0.009 0.000 1.041 323 V CB 1.946 33.800 31.823 0.051 0.000 1.071 323 V HN 0.661 nan 8.190 nan 0.000 0.441 324 N N 0.907 119.652 118.700 0.074 0.000 2.489 324 N HA 0.403 5.143 4.740 -0.001 0.000 0.284 324 N C 0.593 175.985 175.510 -0.196 0.000 1.158 324 N CA -0.557 52.513 53.050 0.034 0.000 0.965 324 N CB 1.773 40.369 38.487 0.182 0.000 1.195 324 N HN 0.925 nan 8.380 nan 0.000 0.506 325 K N 0.176 120.355 120.400 -0.368 0.000 2.063 325 K HA -0.086 4.233 4.320 -0.001 0.000 0.208 325 K C -0.626 175.994 176.600 0.034 0.000 1.048 325 K CA 1.268 57.395 56.287 -0.267 0.000 0.928 325 K CB 0.177 32.601 32.500 -0.127 0.000 0.713 325 K HN 0.500 nan 8.250 nan 0.000 0.442 326 D N 1.489 121.904 120.400 0.025 0.000 2.930 326 D HA 0.033 4.673 4.640 -0.001 0.000 0.304 326 D C 0.319 176.625 176.300 0.009 0.000 1.298 326 D CA -0.076 53.945 54.000 0.034 0.000 0.949 326 D CB 1.170 41.966 40.800 -0.006 0.000 1.013 326 D HN 0.168 nan 8.370 nan 0.000 0.510 327 E N 0.526 120.765 120.200 0.065 0.000 2.171 327 E HA -0.136 4.213 4.350 -0.001 0.000 0.197 327 E C 1.967 178.508 176.600 -0.100 0.000 0.997 327 E CA 0.739 57.186 56.400 0.078 0.000 0.810 327 E CB 0.042 29.847 29.700 0.175 0.000 0.738 327 E HN 0.425 nan 8.360 nan 0.000 0.467 328 G N 0.947 109.720 108.800 -0.046 0.000 2.712 328 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.212 328 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.212 328 G C 1.684 176.426 174.900 -0.264 0.000 1.142 328 G CA 0.818 45.860 45.100 -0.097 0.000 0.789 328 G HN 0.361 nan 8.290 nan 0.000 0.535 329 S N 0.509 116.057 115.700 -0.254 0.000 2.383 329 S HA -0.117 4.353 4.470 -0.001 0.000 0.229 329 S C 2.030 176.427 174.600 -0.338 0.000 1.030 329 S CA 0.865 58.915 58.200 -0.250 0.000 1.002 329 S CB -0.532 62.456 63.200 -0.354 0.000 0.829 329 S HN 0.120 nan 8.310 nan 0.000 0.467 330 F N 1.784 121.379 119.950 -0.591 0.000 2.134 330 F HA 0.098 4.624 4.527 -0.001 0.000 0.299 330 F C 1.931 177.617 175.800 -0.191 0.000 1.097 330 F CA 0.396 58.110 58.000 -0.477 0.000 1.264 330 F CB -0.754 37.872 39.000 -0.624 0.000 1.001 330 F HN 0.163 nan 8.300 nan 0.000 0.479 331 F N -0.479 119.563 119.950 0.155 0.000 2.186 331 F HA -0.131 4.395 4.527 -0.001 0.000 0.299 331 F C 2.290 178.044 175.800 -0.077 0.000 1.090 331 F CA 0.695 58.703 58.000 0.013 0.000 1.307 331 F CB -1.646 37.267 39.000 -0.144 0.000 1.019 331 F HN -0.082 nan 8.300 nan 0.000 0.489 332 L N -0.767 120.407 121.223 -0.081 0.000 2.027 332 L HA -0.182 4.157 4.340 -0.001 0.000 0.206 332 L C 2.504 179.238 176.870 -0.227 0.000 1.074 332 L CA 0.624 55.203 54.840 -0.435 0.000 0.745 332 L CB -0.725 40.716 42.059 -1.031 0.000 0.898 332 L HN 0.133 nan 8.230 nan 0.000 0.433 333 L N -0.815 120.473 121.223 0.108 0.000 2.013 333 L HA -0.279 4.061 4.340 -0.001 0.000 0.212 333 L C 2.251 179.265 176.870 0.240 0.000 1.073 333 L CA 2.074 57.121 54.840 0.344 0.000 0.753 333 L CB -0.685 41.596 42.059 0.370 0.000 0.890 333 L HN 0.146 nan 8.230 nan 0.000 0.432 334 Y N -1.109 119.321 120.300 0.217 0.000 2.519 334 Y HA 0.215 4.765 4.550 -0.001 0.000 0.287 334 Y C 2.142 178.076 175.900 0.058 0.000 1.128 334 Y CA 0.854 59.055 58.100 0.168 0.000 1.282 334 Y CB 0.002 38.568 38.460 0.177 0.000 1.027 334 Y HN 0.290 nan 8.280 nan 0.000 0.551 335 G N -1.521 107.370 108.800 0.151 0.000 3.815 335 G HA2 0.507 4.466 3.960 -0.001 0.000 0.265 335 G HA3 0.507 4.466 3.960 -0.001 0.000 0.265 335 G C -0.349 174.552 174.900 0.001 0.000 1.026 335 G CA 0.366 45.488 45.100 0.036 0.000 0.868 335 G HN 0.224 nan 8.290 nan 0.000 0.476 336 A N 1.398 124.243 122.820 0.041 0.000 2.371 336 A HA 0.861 5.181 4.320 -0.001 0.000 0.311 336 A C -2.768 174.975 177.584 0.265 0.000 1.068 336 A CA -1.588 50.514 52.037 0.109 0.000 0.744 336 A CB 2.045 21.076 19.000 0.051 0.000 1.239 336 A HN 0.030 nan 8.150 nan 0.000 0.435 337 P HA 0.321 nan 4.420 nan 0.000 0.271 337 P C 0.800 178.149 177.300 0.081 0.000 1.216 337 P CA 1.419 64.590 63.100 0.118 0.000 0.776 337 P CB 1.238 32.968 31.700 0.051 0.000 0.881 338 G N 1.387 110.171 108.800 -0.027 0.000 2.176 338 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.232 338 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.232 338 G C -0.331 174.309 174.900 -0.433 0.000 0.986 338 G CA -0.452 44.503 45.100 -0.243 0.000 0.643 338 G HN 0.441 nan 8.290 nan 0.000 0.522 339 F N 1.777 121.659 119.950 -0.112 0.000 2.436 339 F HA 0.740 5.267 4.527 -0.001 0.000 0.340 339 F C 0.553 176.353 175.800 0.000 0.000 1.113 339 F CA -0.519 57.382 58.000 -0.165 0.000 1.022 339 F CB 2.366 41.318 39.000 -0.080 0.000 1.128 339 F HN 0.038 nan 8.300 nan 0.000 0.466 340 S N 1.800 117.616 115.700 0.192 0.000 2.564 340 S HA 0.286 4.756 4.470 -0.001 0.000 0.274 340 S C 0.607 175.440 174.600 0.389 0.000 1.124 340 S CA -1.107 57.241 58.200 0.247 0.000 0.869 340 S CB 2.297 65.561 63.200 0.106 0.000 1.105 340 S HN 0.708 nan 8.310 nan 0.000 0.472 341 K N 0.520 121.094 120.400 0.289 0.000 2.148 341 K HA -0.075 4.245 4.320 -0.001 0.000 0.204 341 K C -0.038 176.630 176.600 0.112 0.000 1.050 341 K CA 1.428 57.801 56.287 0.144 0.000 0.942 341 K CB 0.060 32.368 32.500 -0.321 0.000 0.724 341 K HN 0.464 nan 8.250 nan 0.000 0.446 342 D N -0.120 120.328 120.400 0.080 0.000 2.398 342 D HA 0.007 4.647 4.640 -0.001 0.000 0.210 342 D C 0.266 176.607 176.300 0.069 0.000 1.094 342 D CA 0.130 54.154 54.000 0.039 0.000 0.839 342 D CB 0.755 41.543 40.800 -0.021 0.000 0.963 342 D HN 0.169 nan 8.370 nan 0.000 0.506 343 S N -0.661 115.093 115.700 0.089 0.000 2.739 343 S HA 0.339 4.809 4.470 -0.001 0.000 0.306 343 S C 0.861 175.470 174.600 0.014 0.000 1.115 343 S CA -0.682 57.527 58.200 0.014 0.000 0.985 343 S CB 2.279 65.444 63.200 -0.059 0.000 1.133 343 S HN -0.144 nan 8.310 nan 0.000 0.541 344 E N 0.500 120.660 120.200 -0.066 0.000 2.482 344 E HA 0.069 4.418 4.350 -0.001 0.000 0.196 344 E C -0.413 175.911 176.600 -0.461 0.000 1.047 344 E CA 0.299 56.635 56.400 -0.106 0.000 0.869 344 E CB -0.214 29.451 29.700 -0.058 0.000 0.836 344 E HN 0.707 nan 8.360 nan 0.000 0.520 345 S N 1.344 116.726 115.700 -0.529 0.000 3.524 345 S HA -0.184 4.286 4.470 -0.001 0.000 0.377 345 S C -0.188 174.034 174.600 -0.631 0.000 0.949 345 S CA 0.658 58.413 58.200 -0.741 0.000 1.264 345 S CB -1.143 61.271 63.200 -1.309 0.000 0.918 345 S HN 0.279 nan 8.310 nan 0.000 0.517 346 K N 0.945 121.111 120.400 -0.390 0.000 2.368 346 K HA 0.284 4.604 4.320 -0.001 0.000 0.282 346 K C 0.314 176.717 176.600 -0.327 0.000 1.035 346 K CA -0.143 55.975 56.287 -0.283 0.000 0.973 346 K CB 0.393 32.782 32.500 -0.184 0.000 0.957 346 K HN 0.234 nan 8.250 nan 0.000 0.474 347 I N 3.051 123.449 120.570 -0.286 0.000 2.339 347 I HA 0.040 4.210 4.170 -0.001 0.000 0.290 347 I C 0.670 176.703 176.117 -0.140 0.000 0.994 347 I CA -0.424 60.716 61.300 -0.265 0.000 1.191 347 I CB 1.157 39.004 38.000 -0.254 0.000 1.343 347 I HN 0.653 nan 8.210 nan 0.000 0.458 348 S N 5.746 121.373 115.700 -0.122 0.000 2.560 348 S HA 0.079 4.548 4.470 -0.001 0.000 0.284 348 S C 1.162 175.751 174.600 -0.017 0.000 1.327 348 S CA -0.395 57.762 58.200 -0.071 0.000 1.055 348 S CB 1.139 64.303 63.200 -0.060 0.000 0.868 348 S HN 0.621 nan 8.310 nan 0.000 0.506 349 R N 1.264 121.744 120.500 -0.033 0.000 2.200 349 R HA -0.090 4.250 4.340 -0.001 0.000 0.234 349 R C 1.756 178.113 176.300 0.094 0.000 1.127 349 R CA 1.606 57.700 56.100 -0.011 0.000 0.989 349 R CB -0.489 29.774 30.300 -0.062 0.000 0.869 349 R HN 0.777 nan 8.270 nan 0.000 0.459 350 E N 0.048 120.281 120.200 0.056 0.000 2.051 350 E HA -0.100 4.249 4.350 -0.001 0.000 0.189 350 E C 1.437 178.081 176.600 0.074 0.000 0.979 350 E CA 1.100 57.538 56.400 0.064 0.000 0.803 350 E CB -0.370 29.347 29.700 0.028 0.000 0.761 350 E HN 0.299 nan 8.360 nan 0.000 0.451 351 D N 0.066 120.493 120.400 0.045 0.000 2.263 351 D HA -0.118 4.521 4.640 -0.001 0.000 0.208 351 D C 1.584 177.936 176.300 0.088 0.000 0.971 351 D CA 0.325 54.343 54.000 0.029 0.000 0.867 351 D CB -0.250 40.521 40.800 -0.048 0.000 0.929 351 D HN 0.091 nan 8.370 nan 0.000 0.492 352 F N 0.205 120.143 119.950 -0.020 0.000 2.163 352 F HA -0.110 4.417 4.527 -0.001 0.000 0.297 352 F C 2.140 177.961 175.800 0.034 0.000 1.094 352 F CA 0.958 58.964 58.000 0.011 0.000 1.290 352 F CB -0.088 38.904 39.000 -0.013 0.000 1.017 352 F HN -0.165 nan 8.300 nan 0.000 0.483 353 M N 0.427 120.127 119.600 0.167 0.000 2.132 353 M HA -0.159 4.321 4.480 -0.001 0.000 0.263 353 M C 2.475 178.760 176.300 -0.025 0.000 1.065 353 M CA 1.928 57.267 55.300 0.065 0.000 1.122 353 M CB -0.551 32.131 32.600 0.136 0.000 1.365 353 M HN 0.288 nan 8.290 nan 0.000 0.411 354 S N -1.303 114.396 115.700 -0.001 0.000 2.453 354 S HA 0.026 4.496 4.470 -0.001 0.000 0.231 354 S C 2.083 176.658 174.600 -0.042 0.000 1.005 354 S CA 0.808 59.001 58.200 -0.011 0.000 0.949 354 S CB -1.250 61.955 63.200 0.009 0.000 0.774 354 S HN 0.518 nan 8.310 nan 0.000 0.510 355 G N 1.970 110.726 108.800 -0.074 0.000 2.402 355 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.216 355 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.216 355 G C 1.582 176.381 174.900 -0.168 0.000 1.162 355 G CA 0.974 46.020 45.100 -0.091 0.000 0.777 355 G HN 0.760 nan 8.290 nan 0.000 0.539 356 V N -0.444 119.310 119.914 -0.267 0.000 2.427 356 V HA 0.010 4.130 4.120 -0.001 0.000 0.248 356 V C 2.358 178.398 176.094 -0.090 0.000 1.051 356 V CA 2.499 64.677 62.300 -0.202 0.000 1.048 356 V CB -0.407 31.275 31.823 -0.236 0.000 0.666 356 V HN 0.214 nan 8.190 nan 0.000 0.456 357 K N -0.546 119.811 120.400 -0.071 0.000 2.032 357 K HA -0.148 4.172 4.320 -0.001 0.000 0.209 357 K C 2.202 178.773 176.600 -0.049 0.000 1.048 357 K CA 1.905 58.167 56.287 -0.042 0.000 0.927 357 K CB -0.433 32.052 32.500 -0.024 0.000 0.712 357 K HN 0.447 nan 8.250 nan 0.000 0.441 358 L N 1.160 122.349 121.223 -0.056 0.000 2.079 358 L HA -0.149 4.191 4.340 -0.001 0.000 0.210 358 L C 2.209 179.027 176.870 -0.087 0.000 1.081 358 L CA 1.634 56.435 54.840 -0.065 0.000 0.752 358 L CB -0.966 41.047 42.059 -0.075 0.000 0.896 358 L HN 0.082 nan 8.230 nan 0.000 0.433 359 S N -1.626 114.024 115.700 -0.083 0.000 2.436 359 S HA 0.039 4.508 4.470 -0.001 0.000 0.228 359 S C 0.967 175.578 174.600 0.019 0.000 1.014 359 S CA 0.356 58.524 58.200 -0.053 0.000 0.950 359 S CB 0.294 63.468 63.200 -0.043 0.000 0.784 359 S HN 0.197 nan 8.310 nan 0.000 0.504 360 V N 2.808 122.709 119.914 -0.021 0.000 2.468 360 V HA 0.211 4.331 4.120 -0.001 0.000 0.256 360 V C -1.834 174.196 176.094 -0.106 0.000 0.998 360 V CA -1.321 60.951 62.300 -0.046 0.000 1.114 360 V CB 0.775 32.602 31.823 0.008 0.000 1.378 360 V HN 0.158 nan 8.190 nan 0.000 0.573 361 P HA -0.180 nan 4.420 nan 0.000 0.218 361 P C 0.804 177.838 177.300 -0.444 0.000 1.146 361 P CA 1.481 64.383 63.100 -0.330 0.000 0.813 361 P CB 0.179 31.659 31.700 -0.367 0.000 0.778 362 H N -0.784 118.166 119.070 -0.200 0.000 2.524 362 H HA 0.452 5.008 4.556 -0.001 0.000 0.280 362 H C 0.898 176.153 175.328 -0.123 0.000 1.018 362 H CA -0.340 55.584 56.048 -0.208 0.000 1.165 362 H CB -0.181 29.450 29.762 -0.218 0.000 1.411 362 H HN 0.138 nan 8.280 nan 0.000 0.569 363 A N 1.841 124.646 122.820 -0.025 0.000 2.304 363 A HA 0.339 4.658 4.320 -0.001 0.000 0.301 363 A C 0.689 178.259 177.584 -0.023 0.000 1.132 363 A CA -0.745 51.278 52.037 -0.024 0.000 0.819 363 A CB 0.791 19.777 19.000 -0.022 0.000 1.094 363 A HN 0.427 nan 8.150 nan 0.000 0.492 364 N N 0.656 119.342 118.700 -0.024 0.000 2.418 364 N HA 0.142 4.882 4.740 -0.001 0.000 0.283 364 N C 0.088 175.596 175.510 -0.003 0.000 1.267 364 N CA -0.079 52.962 53.050 -0.016 0.000 0.975 364 N CB -0.023 38.451 38.487 -0.022 0.000 1.167 364 N HN 0.560 nan 8.380 nan 0.000 0.581 365 D N -1.063 119.340 120.400 0.005 0.000 2.104 365 D HA -0.144 4.495 4.640 -0.001 0.000 0.194 365 D C 1.671 177.989 176.300 0.030 0.000 0.994 365 D CA 1.177 55.188 54.000 0.019 0.000 0.830 365 D CB -0.080 40.732 40.800 0.020 0.000 0.959 365 D HN 0.429 nan 8.370 nan 0.000 0.452 366 L N 0.166 121.402 121.223 0.021 0.000 2.012 366 L HA -0.020 4.319 4.340 -0.001 0.000 0.210 366 L C 2.179 179.074 176.870 0.042 0.000 1.073 366 L CA 2.198 57.057 54.840 0.031 0.000 0.748 366 L CB -1.010 41.056 42.059 0.012 0.000 0.891 366 L HN 0.119 nan 8.230 nan 0.000 0.431 367 G N -0.841 107.964 108.800 0.007 0.000 2.408 367 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.217 367 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.217 367 G C 1.506 176.438 174.900 0.053 0.000 1.150 367 G CA 0.809 45.909 45.100 -0.001 0.000 0.776 367 G HN 0.342 nan 8.290 nan 0.000 0.542 368 L N 1.073 122.325 121.223 0.048 0.000 2.056 368 L HA 0.014 4.354 4.340 -0.001 0.000 0.207 368 L C 2.310 179.245 176.870 0.108 0.000 1.078 368 L CA 1.520 56.399 54.840 0.065 0.000 0.749 368 L CB -0.606 41.479 42.059 0.044 0.000 0.901 368 L HN 0.108 nan 8.230 nan 0.000 0.433 369 D N -0.689 119.776 120.400 0.109 0.000 2.117 369 D HA -0.125 4.515 4.640 -0.001 0.000 0.197 369 D C 2.223 178.626 176.300 0.172 0.000 0.987 369 D CA 1.389 55.472 54.000 0.138 0.000 0.829 369 D CB -0.094 40.773 40.800 0.113 0.000 0.961 369 D HN 0.315 nan 8.370 nan 0.000 0.460 370 A N 0.625 123.561 122.820 0.194 0.000 1.908 370 A HA -0.165 4.155 4.320 -0.001 0.000 0.218 370 A C 2.537 180.281 177.584 0.266 0.000 1.181 370 A CA 1.368 53.582 52.037 0.296 0.000 0.627 370 A CB -0.786 18.467 19.000 0.422 0.000 0.818 370 A HN 0.156 nan 8.150 nan 0.000 0.445 371 V N -0.410 119.664 119.914 0.266 0.000 2.307 371 V HA -0.220 3.899 4.120 -0.001 0.000 0.245 371 V C 2.763 178.972 176.094 0.193 0.000 1.045 371 V CA 2.466 64.874 62.300 0.179 0.000 1.024 371 V CB -1.224 30.703 31.823 0.173 0.000 0.651 371 V HN 0.621 nan 8.190 nan 0.000 0.449 372 T N 0.692 115.381 114.554 0.226 0.000 2.665 372 T HA -0.242 4.107 4.350 -0.001 0.000 0.268 372 T C 1.881 176.757 174.700 0.294 0.000 1.035 372 T CA 2.096 64.394 62.100 0.329 0.000 1.151 372 T CB -0.389 68.675 68.868 0.328 0.000 0.862 372 T HN 0.337 nan 8.240 nan 0.000 0.438 373 L N 1.022 122.379 121.223 0.224 0.000 2.093 373 L HA -0.010 4.329 4.340 -0.001 0.000 0.208 373 L C 2.474 179.380 176.870 0.060 0.000 1.085 373 L CA 1.759 56.728 54.840 0.216 0.000 0.755 373 L CB -0.706 41.447 42.059 0.157 0.000 0.904 373 L HN 0.105 nan 8.230 nan 0.000 0.435 374 Q N -1.198 118.533 119.800 -0.116 0.000 2.170 374 Q HA -0.193 4.146 4.340 -0.001 0.000 0.203 374 Q C 1.232 176.966 176.000 -0.443 0.000 0.976 374 Q CA 1.912 57.467 55.803 -0.413 0.000 0.858 374 Q CB -0.244 27.910 28.738 -0.974 0.000 0.907 374 Q HN 0.698 nan 8.270 nan 0.000 0.433 375 Y N -1.017 119.250 120.300 -0.056 0.000 2.485 375 Y HA 0.307 4.857 4.550 -0.001 0.000 0.260 375 Y C -0.117 175.784 175.900 0.001 0.000 1.173 375 Y CA -0.093 58.031 58.100 0.040 0.000 1.252 375 Y CB 0.863 39.429 38.460 0.176 0.000 1.123 375 Y HN -0.166 nan 8.280 nan 0.000 0.524 376 T N 0.774 115.330 114.554 0.003 0.000 2.795 376 T HA 0.084 4.434 4.350 -0.001 0.000 0.282 376 T C -0.750 173.746 174.700 -0.340 0.000 0.980 376 T CA -0.689 61.248 62.100 -0.271 0.000 1.012 376 T CB 0.985 69.558 68.868 -0.493 0.000 0.936 376 T HN 0.001 nan 8.240 nan 0.000 0.457 377 D N 1.918 122.100 120.400 -0.363 0.000 2.393 377 D HA 0.084 4.724 4.640 -0.001 0.000 0.232 377 D C 0.161 176.216 176.300 -0.408 0.000 1.192 377 D CA -0.673 53.175 54.000 -0.254 0.000 0.882 377 D CB 0.394 41.090 40.800 -0.172 0.000 1.038 377 D HN 0.600 nan 8.370 nan 0.000 0.499 378 W N 3.222 124.491 121.300 -0.052 0.000 2.611 378 W HA -0.069 4.591 4.660 -0.001 0.000 0.251 378 W C 2.003 178.497 176.519 -0.042 0.000 1.265 378 W CA -0.010 57.306 57.345 -0.048 0.000 1.295 378 W CB 0.081 29.517 29.460 -0.040 0.000 1.129 378 W HN 0.425 nan 8.180 nan 0.000 0.630 379 M N -1.102 118.544 119.600 0.076 0.000 2.419 379 M HA -0.028 4.452 4.480 -0.001 0.000 0.264 379 M C 0.078 176.369 176.300 -0.015 0.000 1.082 379 M CA 1.407 56.737 55.300 0.050 0.000 1.119 379 M CB -0.411 32.204 32.600 0.025 0.000 1.398 379 M HN -0.148 nan 8.290 nan 0.000 0.453 380 D N 0.358 120.698 120.400 -0.100 0.000 3.220 380 D HA 0.030 4.669 4.640 -0.001 0.000 0.309 380 D C 0.361 176.515 176.300 -0.244 0.000 1.276 380 D CA 0.009 53.932 54.000 -0.128 0.000 0.736 380 D CB 0.277 41.020 40.800 -0.096 0.000 1.304 380 D HN 0.193 nan 8.370 nan 0.000 0.582 381 D N -0.700 119.487 120.400 -0.354 0.000 2.350 381 D HA -0.129 4.510 4.640 -0.001 0.000 0.216 381 D C 0.788 176.841 176.300 -0.410 0.000 0.968 381 D CA 0.147 53.797 54.000 -0.583 0.000 0.894 381 D CB 0.281 40.494 40.800 -0.977 0.000 0.909 381 D HN 0.105 nan 8.370 nan 0.000 0.520 382 N N 0.596 119.145 118.700 -0.252 0.000 2.214 382 N HA -0.043 4.696 4.740 -0.001 0.000 0.214 382 N C -0.422 174.991 175.510 -0.161 0.000 1.132 382 N CA -0.289 52.648 53.050 -0.187 0.000 0.856 382 N CB -0.200 38.218 38.487 -0.115 0.000 1.020 382 N HN 0.057 nan 8.380 nan 0.000 0.509 383 N N 0.278 118.873 118.700 -0.175 0.000 2.420 383 N HA 0.068 4.807 4.740 -0.001 0.000 0.262 383 N C 1.268 176.695 175.510 -0.139 0.000 1.144 383 N CA 0.190 53.159 53.050 -0.134 0.000 0.952 383 N CB 0.998 39.414 38.487 -0.119 0.000 1.081 383 N HN 0.181 nan 8.380 nan 0.000 0.480 384 G N 4.008 112.737 108.800 -0.118 0.000 2.448 384 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.219 384 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.219 384 G C 1.484 176.318 174.900 -0.110 0.000 1.127 384 G CA 0.433 45.458 45.100 -0.124 0.000 0.766 384 G HN 0.702 nan 8.290 nan 0.000 0.552 385 I N -0.219 120.303 120.570 -0.080 0.000 2.406 385 I HA -0.044 4.126 4.170 -0.001 0.000 0.249 385 I C 2.702 178.811 176.117 -0.013 0.000 1.122 385 I CA 0.826 62.101 61.300 -0.042 0.000 1.431 385 I CB -0.139 37.850 38.000 -0.019 0.000 1.087 385 I HN 0.119 nan 8.210 nan 0.000 0.424 386 K N 0.711 121.085 120.400 -0.043 0.000 2.148 386 K HA -0.123 4.197 4.320 -0.001 0.000 0.204 386 K C 1.781 178.361 176.600 -0.033 0.000 1.050 386 K CA 1.098 57.362 56.287 -0.038 0.000 0.942 386 K CB -0.083 32.360 32.500 -0.094 0.000 0.724 386 K HN 0.297 nan 8.250 nan 0.000 0.446 387 N N 0.698 119.346 118.700 -0.087 0.000 2.216 387 N HA -0.138 4.601 4.740 -0.001 0.000 0.183 387 N C 1.692 177.322 175.510 0.201 0.000 1.017 387 N CA 0.753 53.779 53.050 -0.041 0.000 0.861 387 N CB -0.151 38.258 38.487 -0.130 0.000 0.986 387 N HN 0.158 nan 8.380 nan 0.000 0.428 388 R N 1.370 121.922 120.500 0.087 0.000 2.070 388 R HA -0.097 4.243 4.340 -0.001 0.000 0.233 388 R C 0.585 177.038 176.300 0.255 0.000 1.137 388 R CA 1.448 57.630 56.100 0.137 0.000 0.945 388 R CB -0.189 30.092 30.300 -0.032 0.000 0.845 388 R HN 0.133 nan 8.270 nan 0.000 0.430 389 D N -0.752 119.765 120.400 0.194 0.000 2.219 389 D HA -0.063 4.576 4.640 -0.001 0.000 0.205 389 D C 1.683 178.123 176.300 0.234 0.000 0.970 389 D CA 1.275 55.402 54.000 0.212 0.000 0.851 389 D CB -0.376 40.523 40.800 0.165 0.000 0.943 389 D HN 0.497 nan 8.370 nan 0.000 0.488 390 G N 0.604 109.562 108.800 0.262 0.000 2.408 390 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.217 390 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.217 390 G C 1.561 176.620 174.900 0.267 0.000 1.150 390 G CA 0.119 45.427 45.100 0.347 0.000 0.776 390 G HN 0.166 nan 8.290 nan 0.000 0.542 391 L N 0.927 122.322 121.223 0.287 0.000 2.109 391 L HA 0.055 4.395 4.340 -0.001 0.000 0.207 391 L C 2.282 179.192 176.870 0.066 0.000 1.086 391 L CA 1.587 56.498 54.840 0.118 0.000 0.760 391 L CB -0.460 41.729 42.059 0.217 0.000 0.910 391 L HN 0.160 nan 8.230 nan 0.000 0.437 392 D N -0.488 119.999 120.400 0.145 0.000 2.123 392 D HA -0.220 4.420 4.640 -0.001 0.000 0.196 392 D C 1.605 177.962 176.300 0.095 0.000 0.992 392 D CA 1.344 55.412 54.000 0.114 0.000 0.833 392 D CB 0.114 41.024 40.800 0.184 0.000 0.954 392 D HN 0.312 nan 8.370 nan 0.000 0.455 393 D N -0.164 120.316 120.400 0.133 0.000 2.117 393 D HA -0.076 4.563 4.640 -0.001 0.000 0.198 393 D C 2.361 178.680 176.300 0.032 0.000 0.982 393 D CA 0.339 54.442 54.000 0.172 0.000 0.828 393 D CB -0.181 40.835 40.800 0.359 0.000 0.967 393 D HN 0.356 nan 8.370 nan 0.000 0.464 394 I N 0.489 120.920 120.570 -0.232 0.000 2.127 394 I HA -0.251 3.919 4.170 -0.001 0.000 0.241 394 I C 2.435 178.486 176.117 -0.110 0.000 1.075 394 I CA 0.759 61.869 61.300 -0.316 0.000 1.334 394 I CB -0.132 37.661 38.000 -0.346 0.000 1.040 394 I HN -0.112 nan 8.210 nan 0.000 0.405 395 V N 0.808 120.688 119.914 -0.056 0.000 2.343 395 V HA -0.204 3.915 4.120 -0.001 0.000 0.247 395 V C 2.516 178.645 176.094 0.057 0.000 1.051 395 V CA 2.154 64.452 62.300 -0.003 0.000 1.036 395 V CB -1.342 30.485 31.823 0.006 0.000 0.654 395 V HN 0.589 nan 8.190 nan 0.000 0.451 396 G N -0.471 108.379 108.800 0.082 0.000 2.402 396 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.216 396 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.216 396 G C 1.232 176.176 174.900 0.072 0.000 1.162 396 G CA 0.932 46.107 45.100 0.125 0.000 0.777 396 G HN 0.492 nan 8.290 nan 0.000 0.539 397 D N -0.173 120.243 120.400 0.026 0.000 2.084 397 D HA -0.084 4.555 4.640 -0.001 0.000 0.196 397 D C 2.123 178.207 176.300 -0.360 0.000 0.985 397 D CA 1.280 55.259 54.000 -0.035 0.000 0.826 397 D CB -0.499 40.402 40.800 0.169 0.000 0.978 397 D HN 0.368 nan 8.370 nan 0.000 0.456 398 H N 1.045 119.599 119.070 -0.861 0.000 2.321 398 H HA 0.033 4.589 4.556 -0.001 0.000 0.300 398 H C 1.394 176.511 175.328 -0.351 0.000 1.087 398 H CA 1.689 57.079 56.048 -1.097 0.000 1.319 398 H CB -0.034 28.841 29.762 -1.477 0.000 1.379 398 H HN 0.023 nan 8.280 nan 0.000 0.501 399 N N -0.722 117.782 118.700 -0.326 0.000 2.392 399 N HA 0.009 4.749 4.740 -0.001 0.000 0.177 399 N C 0.948 176.548 175.510 0.151 0.000 1.066 399 N CA 0.878 53.886 53.050 -0.070 0.000 0.895 399 N CB 1.339 39.962 38.487 0.226 0.000 0.988 399 N HN 0.260 nan 8.380 nan 0.000 0.457 400 V N 0.261 120.237 119.914 0.103 0.000 3.442 400 V HA 0.147 4.266 4.120 -0.001 0.000 0.205 400 V C 1.980 178.136 176.094 0.103 0.000 1.320 400 V CA -0.070 62.330 62.300 0.168 0.000 1.306 400 V CB 0.277 32.237 31.823 0.228 0.000 1.267 400 V HN -0.063 nan 8.190 nan 0.000 0.538 401 I N 0.538 121.168 120.570 0.101 0.000 2.113 401 I HA -0.265 3.904 4.170 -0.001 0.000 0.238 401 I C 2.549 178.723 176.117 0.096 0.000 1.070 401 I CA 1.884 63.247 61.300 0.105 0.000 1.332 401 I CB -0.505 37.585 38.000 0.150 0.000 1.044 401 I HN 0.381 nan 8.210 nan 0.000 0.402 402 c N 0.850 119.502 118.600 0.087 0.000 2.425 402 c HA -0.050 4.519 4.570 -0.001 0.000 0.277 402 c C 0.257 174.427 174.090 0.133 0.000 1.280 402 c CA 0.716 57.129 56.329 0.140 0.000 1.744 402 c CB -1.854 40.773 42.510 0.195 0.000 1.989 402 c HN 0.358 nan 8.230 nan 0.000 0.491 403 P HA -0.087 nan 4.420 nan 0.000 0.217 403 P C 1.740 179.112 177.300 0.120 0.000 1.150 403 P CA 1.073 64.212 63.100 0.065 0.000 0.832 403 P CB -0.158 31.509 31.700 -0.054 0.000 0.787 404 L N -1.840 119.432 121.223 0.081 0.000 2.093 404 L HA -0.117 4.223 4.340 -0.001 0.000 0.208 404 L C 2.048 178.984 176.870 0.109 0.000 1.085 404 L CA 1.555 56.446 54.840 0.084 0.000 0.755 404 L CB -0.516 41.560 42.059 0.027 0.000 0.904 404 L HN -0.110 nan 8.230 nan 0.000 0.435 405 M N -1.108 118.552 119.600 0.099 0.000 2.213 405 M HA -0.210 4.270 4.480 -0.001 0.000 0.263 405 M C 2.226 178.604 176.300 0.130 0.000 1.062 405 M CA 1.538 56.888 55.300 0.083 0.000 1.105 405 M CB -1.560 31.112 32.600 0.119 0.000 1.385 405 M HN 0.411 nan 8.290 nan 0.000 0.417 406 H N -0.143 118.990 119.070 0.104 0.000 2.357 406 H HA -0.153 4.402 4.556 -0.001 0.000 0.301 406 H C 1.815 177.207 175.328 0.106 0.000 1.082 406 H CA 1.883 57.998 56.048 0.111 0.000 1.342 406 H CB -0.327 29.503 29.762 0.114 0.000 1.389 406 H HN 0.237 nan 8.280 nan 0.000 0.511 407 F N 0.002 119.911 119.950 -0.068 0.000 2.102 407 F HA -0.156 4.370 4.527 -0.001 0.000 0.298 407 F C 2.495 178.211 175.800 -0.140 0.000 1.105 407 F CA 1.490 59.408 58.000 -0.137 0.000 1.239 407 F CB -0.945 37.987 39.000 -0.114 0.000 0.991 407 F HN 0.122 nan 8.300 nan 0.000 0.474 408 V N 1.128 120.948 119.914 -0.156 0.000 2.407 408 V HA -0.277 3.843 4.120 -0.001 0.000 0.248 408 V C 2.191 178.129 176.094 -0.260 0.000 1.055 408 V CA 2.497 64.592 62.300 -0.341 0.000 1.049 408 V CB -0.640 30.910 31.823 -0.455 0.000 0.662 408 V HN 0.444 nan 8.190 nan 0.000 0.455 409 N N -0.167 118.464 118.700 -0.115 0.000 2.188 409 N HA -0.108 4.631 4.740 -0.001 0.000 0.184 409 N C 1.802 177.289 175.510 -0.038 0.000 1.018 409 N CA 1.108 54.190 53.050 0.052 0.000 0.858 409 N CB -0.181 38.377 38.487 0.120 0.000 0.989 409 N HN 0.435 nan 8.380 nan 0.000 0.426 410 K N 0.549 120.838 120.400 -0.184 0.000 2.057 410 K HA -0.124 4.195 4.320 -0.001 0.000 0.206 410 K C 1.926 178.505 176.600 -0.035 0.000 1.050 410 K CA 0.683 56.898 56.287 -0.120 0.000 0.935 410 K CB -0.715 31.660 32.500 -0.208 0.000 0.715 410 K HN 0.286 nan 8.250 nan 0.000 0.439 411 Y N 2.324 122.373 120.300 -0.419 0.000 2.145 411 Y HA -0.213 4.337 4.550 -0.001 0.000 0.286 411 Y C 2.259 178.144 175.900 -0.026 0.000 1.145 411 Y CA 1.878 59.710 58.100 -0.448 0.000 1.148 411 Y CB -0.428 37.450 38.460 -0.969 0.000 0.981 411 Y HN 0.018 nan 8.280 nan 0.000 0.507 412 T N 0.581 115.152 114.554 0.030 0.000 2.849 412 T HA -0.224 4.125 4.350 -0.001 0.000 0.270 412 T C 1.855 176.553 174.700 -0.003 0.000 1.066 412 T CA 1.638 63.795 62.100 0.097 0.000 1.130 412 T CB -0.261 68.781 68.868 0.289 0.000 0.864 412 T HN 0.325 nan 8.240 nan 0.000 0.481 413 K N -0.052 120.314 120.400 -0.057 0.000 2.147 413 K HA -0.051 4.268 4.320 -0.001 0.000 0.205 413 K C 1.131 177.481 176.600 -0.417 0.000 1.049 413 K CA 1.339 57.473 56.287 -0.255 0.000 0.936 413 K CB -0.084 32.217 32.500 -0.332 0.000 0.722 413 K HN 0.371 nan 8.250 nan 0.000 0.446 414 F N -0.151 119.748 119.950 -0.084 0.000 2.724 414 F HA 0.287 4.813 4.527 -0.001 0.000 0.306 414 F C 1.339 177.029 175.800 -0.182 0.000 1.100 414 F CA -0.253 57.659 58.000 -0.148 0.000 1.255 414 F CB 0.267 39.106 39.000 -0.267 0.000 1.072 414 F HN -0.027 nan 8.300 nan 0.000 0.589 415 G N -0.023 108.706 108.800 -0.118 0.000 2.653 415 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.265 415 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.265 415 G C 0.342 175.273 174.900 0.051 0.000 1.237 415 G CA -0.364 44.658 45.100 -0.130 0.000 0.946 415 G HN 0.278 nan 8.290 nan 0.000 0.522 416 N N -0.249 118.535 118.700 0.140 0.000 2.328 416 N HA 0.292 5.032 4.740 -0.001 0.000 0.247 416 N C 0.253 175.836 175.510 0.123 0.000 1.165 416 N CA 0.446 53.561 53.050 0.108 0.000 0.873 416 N CB 0.207 38.752 38.487 0.096 0.000 1.125 416 N HN 0.898 nan 8.380 nan 0.000 0.513 417 G N 0.605 109.487 108.800 0.138 0.000 2.380 417 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.250 417 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.250 417 G C -1.237 173.697 174.900 0.058 0.000 1.578 417 G CA -0.787 44.354 45.100 0.068 0.000 0.974 417 G HN 0.039 nan 8.290 nan 0.000 0.680 418 T N 1.762 116.239 114.554 -0.128 0.000 2.861 418 T HA 0.683 5.033 4.350 -0.001 0.000 0.287 418 T C -1.189 173.256 174.700 -0.425 0.000 1.003 418 T CA -0.341 61.690 62.100 -0.114 0.000 0.977 418 T CB 1.328 70.229 68.868 0.054 0.000 0.996 418 T HN 0.422 nan 8.240 nan 0.000 0.448 419 Y N 2.026 122.261 120.300 -0.108 0.000 2.331 419 Y HA 0.665 5.215 4.550 -0.001 0.000 0.334 419 Y C -0.496 175.472 175.900 0.114 0.000 0.960 419 Y CA -1.153 56.827 58.100 -0.200 0.000 1.130 419 Y CB 1.543 39.454 38.460 -0.915 0.000 1.164 419 Y HN 0.427 nan 8.280 nan 0.000 0.458 420 L N 5.955 127.570 121.223 0.654 0.000 2.346 420 L HA 0.626 4.966 4.340 -0.001 0.000 0.276 420 L C -1.305 176.029 176.870 0.774 0.000 1.006 420 L CA -1.024 54.142 54.840 0.544 0.000 0.817 420 L CB 0.830 43.075 42.059 0.309 0.000 1.272 420 L HN 0.538 nan 8.230 nan 0.000 0.421 421 Y N 3.190 123.797 120.300 0.511 0.000 2.570 421 Y HA 0.739 5.288 4.550 -0.001 0.000 0.345 421 Y C -1.791 174.361 175.900 0.421 0.000 1.014 421 Y CA -2.018 56.308 58.100 0.376 0.000 1.063 421 Y CB 1.405 40.020 38.460 0.258 0.000 1.272 421 Y HN 0.529 nan 8.280 nan 0.000 0.477 422 F N 4.307 124.554 119.950 0.496 0.000 2.610 422 F HA 0.448 4.975 4.527 -0.001 0.000 0.355 422 F C -1.894 174.206 175.800 0.499 0.000 1.140 422 F CA -1.620 56.603 58.000 0.373 0.000 1.037 422 F CB 0.672 39.868 39.000 0.327 0.000 1.287 422 F HN 0.582 nan 8.300 nan 0.000 0.457 423 F N 7.804 127.849 119.950 0.159 0.000 2.444 423 F HA 0.292 4.819 4.527 -0.001 0.000 0.360 423 F C 0.214 175.909 175.800 -0.174 0.000 1.106 423 F CA -0.184 57.857 58.000 0.068 0.000 1.170 423 F CB 0.551 39.641 39.000 0.151 0.000 1.113 423 F HN 0.545 nan 8.300 nan 0.000 0.521 424 N N 3.247 121.691 118.700 -0.427 0.000 2.451 424 N HA 0.082 4.821 4.740 -0.001 0.000 0.271 424 N C -1.197 174.106 175.510 -0.345 0.000 1.410 424 N CA -0.516 52.353 53.050 -0.301 0.000 0.884 424 N CB -0.673 37.817 38.487 0.005 0.000 1.332 424 N HN 0.626 nan 8.380 nan 0.000 0.498 425 H N 0.591 119.153 119.070 -0.847 0.000 2.519 425 H HA 0.410 4.966 4.556 -0.001 0.000 0.316 425 H C -0.356 174.778 175.328 -0.323 0.000 1.065 425 H CA -0.615 55.092 56.048 -0.568 0.000 1.264 425 H CB 0.976 30.317 29.762 -0.701 0.000 1.413 425 H HN 0.085 nan 8.280 nan 0.000 0.465 426 R N 4.148 124.226 120.500 -0.703 0.000 2.234 426 R HA 0.441 4.780 4.340 -0.001 0.000 0.324 426 R C -0.582 175.479 176.300 -0.399 0.000 1.054 426 R CA -0.501 55.380 56.100 -0.366 0.000 0.912 426 R CB 0.264 30.429 30.300 -0.225 0.000 1.030 426 R HN 0.817 nan 8.270 nan 0.000 0.455 427 A N 3.200 126.073 122.820 0.089 0.000 2.546 427 A HA 0.010 4.330 4.320 -0.001 0.000 0.243 427 A C 1.415 179.091 177.584 0.153 0.000 1.063 427 A CA 0.475 52.727 52.037 0.357 0.000 0.757 427 A CB 0.344 19.709 19.000 0.608 0.000 0.991 427 A HN 1.018 nan 8.150 nan 0.000 0.503 428 S N 2.051 117.871 115.700 0.199 0.000 2.400 428 S HA -0.222 4.247 4.470 -0.001 0.000 0.232 428 S C 1.019 175.620 174.600 0.002 0.000 1.025 428 S CA 1.466 59.717 58.200 0.085 0.000 0.993 428 S CB -0.539 62.733 63.200 0.120 0.000 0.808 428 S HN 0.950 nan 8.310 nan 0.000 0.478 429 N N 0.888 119.555 118.700 -0.055 0.000 2.268 429 N HA 0.205 4.945 4.740 -0.001 0.000 0.204 429 N C 0.074 175.525 175.510 -0.099 0.000 1.124 429 N CA -0.287 52.679 53.050 -0.140 0.000 0.838 429 N CB -0.633 37.657 38.487 -0.329 0.000 0.994 429 N HN 0.424 nan 8.380 nan 0.000 0.489 430 L N 1.469 122.674 121.223 -0.030 0.000 2.540 430 L HA -0.038 4.302 4.340 -0.001 0.000 0.276 430 L C 1.379 178.206 176.870 -0.072 0.000 1.212 430 L CA -0.140 54.683 54.840 -0.028 0.000 0.893 430 L CB 0.882 42.920 42.059 -0.034 0.000 1.138 430 L HN 0.164 nan 8.230 nan 0.000 0.491 431 V N 0.266 120.105 119.914 -0.125 0.000 3.406 431 V HA 0.016 4.136 4.120 -0.001 0.000 0.263 431 V C 0.527 176.570 176.094 -0.085 0.000 1.172 431 V CA -0.364 61.843 62.300 -0.156 0.000 1.140 431 V CB -0.837 30.777 31.823 -0.350 0.000 0.784 431 V HN 0.596 nan 8.190 nan 0.000 0.467 432 W N 1.814 123.084 121.300 -0.050 0.000 2.237 432 W HA 0.538 5.197 4.660 -0.001 0.000 0.335 432 W C -1.776 174.589 176.519 -0.256 0.000 1.230 432 W CA -2.241 55.017 57.345 -0.145 0.000 1.253 432 W CB 0.016 29.241 29.460 -0.392 0.000 1.129 432 W HN -0.029 nan 8.180 nan 0.000 0.590 433 P HA -0.073 nan 4.420 nan 0.000 0.268 433 P C 0.286 177.443 177.300 -0.239 0.000 1.208 433 P CA 0.293 63.303 63.100 -0.150 0.000 0.777 433 P CB 1.124 32.750 31.700 -0.123 0.000 0.875 434 E N 2.079 122.226 120.200 -0.088 0.000 2.097 434 E HA -0.176 4.173 4.350 -0.001 0.000 0.196 434 E C 1.722 178.308 176.600 -0.024 0.000 1.000 434 E CA 1.692 58.065 56.400 -0.045 0.000 0.804 434 E CB -0.710 29.009 29.700 0.032 0.000 0.740 434 E HN 0.655 nan 8.360 nan 0.000 0.454 435 W N -0.481 120.818 121.300 -0.001 0.000 2.424 435 W HA -0.162 4.498 4.660 -0.001 0.000 0.264 435 W C 1.249 177.766 176.519 -0.004 0.000 1.229 435 W CA 0.554 57.906 57.345 0.011 0.000 1.208 435 W CB -0.759 28.720 29.460 0.033 0.000 1.127 435 W HN 0.084 nan 8.180 nan 0.000 0.588 436 M N 1.246 120.452 119.600 -0.657 0.000 2.492 436 M HA 0.111 4.591 4.480 -0.001 0.000 0.262 436 M C 1.756 177.857 176.300 -0.332 0.000 1.090 436 M CA 1.701 56.556 55.300 -0.742 0.000 1.110 436 M CB -0.587 31.369 32.600 -1.073 0.000 1.407 436 M HN 0.187 nan 8.290 nan 0.000 0.470 437 G N 0.279 108.963 108.800 -0.193 0.000 2.550 437 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.277 437 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.277 437 G C -0.237 174.595 174.900 -0.114 0.000 1.190 437 G CA -0.285 44.755 45.100 -0.099 0.000 0.971 437 G HN 0.184 nan 8.290 nan 0.000 0.559 438 V N 2.055 121.936 119.914 -0.056 0.000 2.299 438 V HA 0.381 4.500 4.120 -0.001 0.000 0.255 438 V C 1.080 177.194 176.094 0.035 0.000 1.100 438 V CA -0.156 62.149 62.300 0.009 0.000 0.938 438 V CB 0.088 31.918 31.823 0.012 0.000 1.139 438 V HN 0.531 nan 8.190 nan 0.000 0.490 439 I N 3.282 123.840 120.570 -0.020 0.000 2.752 439 I HA 0.062 4.232 4.170 -0.001 0.000 0.287 439 I C 0.994 177.236 176.117 0.209 0.000 1.188 439 I CA -0.257 61.008 61.300 -0.058 0.000 1.427 439 I CB 0.132 37.913 38.000 -0.366 0.000 1.365 439 I HN 0.630 nan 8.210 nan 0.000 0.585 440 H N 5.183 124.283 119.070 0.052 0.000 3.094 440 H HA 0.151 4.707 4.556 -0.001 0.000 0.320 440 H C 1.052 176.508 175.328 0.212 0.000 1.000 440 H CA 1.081 57.188 56.048 0.098 0.000 1.413 440 H CB 0.358 30.096 29.762 -0.040 0.000 1.405 440 H HN 0.789 nan 8.280 nan 0.000 0.586 441 G N 3.363 111.975 108.800 -0.313 0.000 2.268 441 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.240 441 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.240 441 G C 0.611 175.446 174.900 -0.108 0.000 1.010 441 G CA 0.383 45.292 45.100 -0.318 0.000 0.618 441 G HN 0.633 nan 8.290 nan 0.000 0.516 442 Y N 2.004 122.398 120.300 0.156 0.000 2.470 442 Y HA 0.264 4.813 4.550 -0.001 0.000 0.302 442 Y C 2.252 178.255 175.900 0.173 0.000 1.194 442 Y CA 0.996 59.261 58.100 0.274 0.000 1.271 442 Y CB 0.351 39.006 38.460 0.325 0.000 1.092 442 Y HN 0.534 nan 8.280 nan 0.000 0.513 443 E N -0.476 119.653 120.200 -0.119 0.000 2.460 443 E HA -0.014 4.335 4.350 -0.001 0.000 0.200 443 E C 1.591 178.128 176.600 -0.105 0.000 1.011 443 E CA 0.465 56.516 56.400 -0.583 0.000 0.912 443 E CB -0.459 28.554 29.700 -1.145 0.000 0.953 443 E HN 0.512 nan 8.360 nan 0.000 0.494 444 I N 2.744 123.336 120.570 0.036 0.000 2.163 444 I HA -0.313 3.856 4.170 -0.001 0.000 0.243 444 I C 2.623 178.809 176.117 0.115 0.000 1.085 444 I CA 2.132 63.518 61.300 0.143 0.000 1.347 444 I CB -0.487 37.651 38.000 0.230 0.000 1.044 444 I HN 0.209 nan 8.210 nan 0.000 0.408 445 E N 1.114 121.329 120.200 0.026 0.000 2.118 445 E HA -0.249 4.101 4.350 -0.001 0.000 0.195 445 E C 2.043 178.482 176.600 -0.268 0.000 0.992 445 E CA 1.608 57.929 56.400 -0.131 0.000 0.804 445 E CB -0.600 29.008 29.700 -0.153 0.000 0.741 445 E HN 0.440 nan 8.360 nan 0.000 0.458 446 F N 1.083 120.947 119.950 -0.144 0.000 2.367 446 F HA -0.014 4.513 4.527 -0.001 0.000 0.298 446 F C 2.337 177.968 175.800 -0.282 0.000 1.094 446 F CA 0.451 58.328 58.000 -0.206 0.000 1.409 446 F CB -0.176 38.757 39.000 -0.112 0.000 1.064 446 F HN -0.130 nan 8.300 nan 0.000 0.528 447 V N -1.183 118.648 119.914 -0.139 0.000 2.548 447 V HA -0.238 3.881 4.120 -0.001 0.000 0.249 447 V C 1.557 177.428 176.094 -0.371 0.000 1.055 447 V CA 1.504 63.556 62.300 -0.412 0.000 1.065 447 V CB -0.598 31.021 31.823 -0.340 0.000 0.681 447 V HN 0.209 nan 8.190 nan 0.000 0.462 448 F N 0.357 120.177 119.950 -0.216 0.000 2.732 448 F HA 0.408 4.935 4.527 -0.001 0.000 0.303 448 F C 1.798 177.501 175.800 -0.162 0.000 1.110 448 F CA 0.603 58.500 58.000 -0.171 0.000 1.355 448 F CB -0.110 38.774 39.000 -0.194 0.000 1.081 448 F HN 0.245 nan 8.300 nan 0.000 0.565 449 G N 0.454 109.167 108.800 -0.145 0.000 2.179 449 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.257 449 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.257 449 G C 1.182 175.788 174.900 -0.490 0.000 1.010 449 G CA 0.456 45.408 45.100 -0.247 0.000 0.736 449 G HN 0.355 nan 8.290 nan 0.000 0.513 450 L N -0.593 120.298 121.223 -0.552 0.000 2.191 450 L HA -0.063 4.277 4.340 -0.001 0.000 0.212 450 L C 0.065 176.504 176.870 -0.719 0.000 1.103 450 L CA 2.011 56.460 54.840 -0.651 0.000 0.769 450 L CB -1.603 40.199 42.059 -0.427 0.000 0.908 450 L HN 0.195 nan 8.230 nan 0.000 0.438 451 P HA -0.112 nan 4.420 nan 0.000 0.231 451 P C 1.746 178.812 177.300 -0.390 0.000 1.158 451 P CA 0.941 63.437 63.100 -1.007 0.000 0.763 451 P CB 0.076 31.112 31.700 -1.106 0.000 0.805 452 L N -2.309 118.696 121.223 -0.363 0.000 2.554 452 L HA 0.048 4.387 4.340 -0.001 0.000 0.226 452 L C 0.490 177.252 176.870 -0.179 0.000 1.137 452 L CA 0.311 55.025 54.840 -0.210 0.000 0.863 452 L CB -0.233 41.731 42.059 -0.158 0.000 0.985 452 L HN -0.214 nan 8.230 nan 0.000 0.451 453 V N 1.824 121.591 119.914 -0.245 0.000 2.334 453 V HA 0.025 4.144 4.120 -0.001 0.000 0.267 453 V C 1.361 177.418 176.094 -0.061 0.000 1.040 453 V CA -0.438 61.763 62.300 -0.165 0.000 0.866 453 V CB 1.100 32.776 31.823 -0.245 0.000 1.019 453 V HN 0.365 nan 8.190 nan 0.000 0.468 454 K N 3.824 124.202 120.400 -0.037 0.000 2.074 454 K HA -0.232 4.087 4.320 -0.001 0.000 0.209 454 K C 1.261 177.851 176.600 -0.016 0.000 1.048 454 K CA 2.137 58.417 56.287 -0.012 0.000 0.926 454 K CB -0.030 32.462 32.500 -0.014 0.000 0.713 454 K HN 0.563 nan 8.250 nan 0.000 0.444 455 E N 1.118 121.300 120.200 -0.029 0.000 2.331 455 E HA -0.099 4.250 4.350 -0.001 0.000 0.199 455 E C 1.602 178.168 176.600 -0.057 0.000 1.008 455 E CA 0.925 57.301 56.400 -0.040 0.000 0.843 455 E CB -0.174 29.503 29.700 -0.039 0.000 0.761 455 E HN 0.377 nan 8.360 nan 0.000 0.507 456 L N 0.532 121.728 121.223 -0.044 0.000 2.599 456 L HA 0.047 4.386 4.340 -0.001 0.000 0.230 456 L C -0.208 176.539 176.870 -0.206 0.000 1.141 456 L CA -0.136 54.656 54.840 -0.081 0.000 0.877 456 L CB -0.406 41.683 42.059 0.050 0.000 1.009 456 L HN 0.148 nan 8.230 nan 0.000 0.447 457 N N -1.137 117.492 118.700 -0.120 0.000 2.758 457 N HA -0.235 4.505 4.740 -0.001 0.000 0.248 457 N C -0.675 174.717 175.510 -0.196 0.000 1.076 457 N CA 0.881 53.846 53.050 -0.142 0.000 0.696 457 N CB -1.951 36.436 38.487 -0.167 0.000 0.979 457 N HN 0.307 nan 8.380 nan 0.000 0.550 458 Y N 0.245 120.513 120.300 -0.053 0.000 2.432 458 Y HA 0.409 4.959 4.550 -0.001 0.000 0.322 458 Y C 1.827 177.728 175.900 0.001 0.000 1.246 458 Y CA -0.175 57.911 58.100 -0.024 0.000 1.268 458 Y CB 0.738 39.151 38.460 -0.078 0.000 1.276 458 Y HN 0.125 nan 8.280 nan 0.000 0.499 459 T N -1.968 112.719 114.554 0.222 0.000 2.788 459 T HA 0.444 4.794 4.350 -0.001 0.000 0.280 459 T C 1.165 175.926 174.700 0.101 0.000 0.984 459 T CA -0.254 61.924 62.100 0.129 0.000 0.972 459 T CB 1.169 70.111 68.868 0.123 0.000 1.039 459 T HN 0.748 nan 8.240 nan 0.000 0.530 460 A N 0.858 123.713 122.820 0.058 0.000 1.933 460 A HA -0.082 4.237 4.320 -0.001 0.000 0.218 460 A C 2.308 179.905 177.584 0.022 0.000 1.175 460 A CA 1.334 53.390 52.037 0.032 0.000 0.628 460 A CB -0.756 18.256 19.000 0.020 0.000 0.814 460 A HN 0.935 nan 8.150 nan 0.000 0.444 461 E N 0.597 120.813 120.200 0.025 0.000 2.208 461 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 461 E C 1.454 178.048 176.600 -0.009 0.000 0.988 461 E CA 1.202 57.599 56.400 -0.005 0.000 0.828 461 E CB -0.590 29.100 29.700 -0.018 0.000 0.763 461 E HN 0.786 nan 8.360 nan 0.000 0.478 462 E N 1.183 121.419 120.200 0.059 0.000 2.106 462 E HA -0.170 4.180 4.350 -0.001 0.000 0.192 462 E C 2.086 178.741 176.600 0.092 0.000 0.984 462 E CA 0.999 57.502 56.400 0.171 0.000 0.806 462 E CB -0.055 29.874 29.700 0.381 0.000 0.750 462 E HN 0.412 nan 8.360 nan 0.000 0.458 463 E N 0.820 121.023 120.200 0.005 0.000 2.150 463 E HA -0.179 4.171 4.350 -0.001 0.000 0.193 463 E C 1.966 178.541 176.600 -0.041 0.000 0.985 463 E CA 0.917 57.277 56.400 -0.066 0.000 0.814 463 E CB -0.003 29.665 29.700 -0.052 0.000 0.752 463 E HN 0.209 nan 8.360 nan 0.000 0.466 464 A N 1.045 123.851 122.820 -0.023 0.000 1.897 464 A HA -0.112 4.207 4.320 -0.001 0.000 0.215 464 A C 2.107 179.667 177.584 -0.041 0.000 1.181 464 A CA 1.051 53.066 52.037 -0.037 0.000 0.620 464 A CB -0.568 18.411 19.000 -0.035 0.000 0.821 464 A HN 0.382 nan 8.150 nan 0.000 0.443 465 L N -0.054 121.157 121.223 -0.019 0.000 2.017 465 L HA -0.102 4.238 4.340 -0.001 0.000 0.208 465 L C 2.550 179.446 176.870 0.045 0.000 1.073 465 L CA 2.624 57.451 54.840 -0.021 0.000 0.745 465 L CB -0.846 41.156 42.059 -0.094 0.000 0.894 465 L HN 0.336 nan 8.230 nan 0.000 0.432 466 S N -0.879 114.907 115.700 0.144 0.000 2.399 466 S HA -0.184 4.285 4.470 -0.001 0.000 0.231 466 S C 2.159 176.722 174.600 -0.062 0.000 1.022 466 S CA 1.265 59.508 58.200 0.073 0.000 0.983 466 S CB -0.227 62.922 63.200 -0.085 0.000 0.803 466 S HN 0.557 nan 8.310 nan 0.000 0.480 467 R N -0.014 120.443 120.500 -0.071 0.000 2.093 467 R HA 0.168 4.508 4.340 -0.001 0.000 0.224 467 R C 2.736 178.973 176.300 -0.106 0.000 1.101 467 R CA 0.863 56.913 56.100 -0.083 0.000 0.979 467 R CB -0.198 30.053 30.300 -0.081 0.000 0.877 467 R HN 0.323 nan 8.270 nan 0.000 0.441 468 R N 0.531 120.939 120.500 -0.153 0.000 2.075 468 R HA -0.045 4.295 4.340 -0.001 0.000 0.232 468 R C 2.190 178.248 176.300 -0.403 0.000 1.126 468 R CA 1.272 57.179 56.100 -0.321 0.000 0.963 468 R CB -0.163 29.952 30.300 -0.309 0.000 0.858 468 R HN 0.174 nan 8.270 nan 0.000 0.435 469 I N 0.269 120.730 120.570 -0.182 0.000 2.163 469 I HA -0.305 3.865 4.170 -0.001 0.000 0.240 469 I C 2.385 178.406 176.117 -0.161 0.000 1.081 469 I CA 1.325 62.547 61.300 -0.129 0.000 1.353 469 I CB -0.110 37.723 38.000 -0.279 0.000 1.054 469 I HN 0.219 nan 8.210 nan 0.000 0.407 470 M N -0.605 118.882 119.600 -0.188 0.000 2.195 470 M HA -0.292 4.188 4.480 -0.001 0.000 0.260 470 M C 2.317 178.647 176.300 0.051 0.000 1.066 470 M CA 1.768 56.990 55.300 -0.130 0.000 1.089 470 M CB -0.614 31.925 32.600 -0.102 0.000 1.377 470 M HN 0.305 nan 8.290 nan 0.000 0.411 471 H N -0.813 118.232 119.070 -0.042 0.000 2.436 471 H HA -0.085 4.471 4.556 -0.001 0.000 0.294 471 H C 1.437 176.872 175.328 0.178 0.000 1.048 471 H CA 1.584 57.639 56.048 0.012 0.000 1.353 471 H CB 0.108 29.825 29.762 -0.075 0.000 1.414 471 H HN 0.270 nan 8.280 nan 0.000 0.536 472 Y N -0.881 119.544 120.300 0.207 0.000 2.163 472 Y HA -0.219 4.330 4.550 -0.001 0.000 0.288 472 Y C 2.459 178.551 175.900 0.320 0.000 1.136 472 Y CA 0.992 59.259 58.100 0.279 0.000 1.147 472 Y CB -1.036 37.785 38.460 0.602 0.000 0.987 472 Y HN 0.344 nan 8.280 nan 0.000 0.509 473 W N -0.387 121.005 121.300 0.152 0.000 2.335 473 W HA -0.250 4.409 4.660 -0.001 0.000 0.311 473 W C 2.566 179.079 176.519 -0.010 0.000 1.213 473 W CA 1.093 58.459 57.345 0.035 0.000 1.274 473 W CB -0.430 28.982 29.460 -0.080 0.000 1.148 473 W HN 0.062 nan 8.180 nan 0.000 0.498 474 A N -0.052 122.875 122.820 0.179 0.000 1.898 474 A HA -0.147 4.172 4.320 -0.001 0.000 0.216 474 A C 1.811 179.368 177.584 -0.046 0.000 1.181 474 A CA 2.152 54.203 52.037 0.023 0.000 0.620 474 A CB -1.186 17.816 19.000 0.003 0.000 0.819 474 A HN 0.194 nan 8.150 nan 0.000 0.442 475 T N -0.623 113.852 114.554 -0.132 0.000 2.746 475 T HA -0.122 4.228 4.350 -0.001 0.000 0.267 475 T C 1.616 176.266 174.700 -0.084 0.000 1.039 475 T CA 1.545 63.544 62.100 -0.168 0.000 1.142 475 T CB -0.403 68.307 68.868 -0.262 0.000 0.866 475 T HN 0.522 nan 8.240 nan 0.000 0.444 476 F N 2.309 122.157 119.950 -0.171 0.000 2.134 476 F HA 0.047 4.574 4.527 -0.001 0.000 0.299 476 F C 2.396 178.110 175.800 -0.142 0.000 1.097 476 F CA 0.942 58.812 58.000 -0.217 0.000 1.264 476 F CB -0.564 38.248 39.000 -0.314 0.000 1.001 476 F HN 0.132 nan 8.300 nan 0.000 0.479 477 A N 0.491 123.228 122.820 -0.138 0.000 1.902 477 A HA -0.220 4.100 4.320 -0.001 0.000 0.217 477 A C 2.330 179.768 177.584 -0.243 0.000 1.181 477 A CA 1.843 53.743 52.037 -0.228 0.000 0.623 477 A CB -0.845 18.115 19.000 -0.065 0.000 0.818 477 A HN 0.511 nan 8.150 nan 0.000 0.443 478 K N -0.731 119.569 120.400 -0.168 0.000 2.155 478 K HA -0.110 4.210 4.320 -0.001 0.000 0.203 478 K C 1.694 178.203 176.600 -0.153 0.000 1.052 478 K CA 1.881 58.092 56.287 -0.127 0.000 0.948 478 K CB -0.071 32.380 32.500 -0.081 0.000 0.728 478 K HN 0.610 nan 8.250 nan 0.000 0.448 479 T N -5.303 109.129 114.554 -0.203 0.000 2.958 479 T HA 0.261 4.610 4.350 -0.001 0.000 0.256 479 T C 1.122 175.682 174.700 -0.233 0.000 0.983 479 T CA 0.447 62.441 62.100 -0.177 0.000 0.924 479 T CB 0.918 69.715 68.868 -0.118 0.000 1.136 479 T HN 0.291 nan 8.240 nan 0.000 0.506 480 G N 1.530 110.063 108.800 -0.445 0.000 2.157 480 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.239 480 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.239 480 G C -0.209 174.633 174.900 -0.096 0.000 0.982 480 G CA 0.028 44.840 45.100 -0.480 0.000 0.650 480 G HN 0.846 nan 8.290 nan 0.000 0.527 481 N N -0.254 118.367 118.700 -0.132 0.000 2.336 481 N HA 0.484 5.224 4.740 -0.001 0.000 0.290 481 N C -1.955 173.388 175.510 -0.278 0.000 1.058 481 N CA -1.563 51.351 53.050 -0.226 0.000 0.865 481 N CB 2.610 41.040 38.487 -0.095 0.000 1.581 481 N HN -0.062 nan 8.380 nan 0.000 0.480 482 P HA 0.040 nan 4.420 nan 0.000 0.236 482 P C -0.532 176.764 177.300 -0.006 0.000 1.177 482 P CA 0.363 63.315 63.100 -0.247 0.000 0.773 482 P CB 0.382 31.737 31.700 -0.575 0.000 0.878 483 N N 1.384 120.041 118.700 -0.070 0.000 2.524 483 N HA 0.105 4.845 4.740 -0.001 0.000 0.283 483 N C 0.265 175.807 175.510 0.054 0.000 1.142 483 N CA -0.176 52.925 53.050 0.085 0.000 0.984 483 N CB 0.960 39.493 38.487 0.077 0.000 1.155 483 N HN 0.033 nan 8.380 nan 0.000 0.467 484 E N 2.084 122.352 120.200 0.112 0.000 2.257 484 E HA 0.086 4.436 4.350 -0.001 0.000 0.278 484 E C -1.320 175.288 176.600 0.014 0.000 1.049 484 E CA -1.451 55.000 56.400 0.085 0.000 0.876 484 E CB 0.817 30.606 29.700 0.149 0.000 1.035 484 E HN 0.325 nan 8.360 nan 0.000 0.419 485 P HA -0.215 nan 4.420 nan 0.000 0.214 485 P C 0.534 177.634 177.300 -0.333 0.000 1.099 485 P CA 1.702 64.624 63.100 -0.296 0.000 0.976 485 P CB 0.111 31.556 31.700 -0.425 0.000 0.774 486 H N -2.185 116.920 119.070 0.059 0.000 2.487 486 H HA 0.311 4.866 4.556 -0.001 0.000 0.290 486 H C 0.884 176.248 175.328 0.059 0.000 1.081 486 H CA -0.173 55.908 56.048 0.055 0.000 1.116 486 H CB -0.232 29.555 29.762 0.043 0.000 1.560 486 H HN 0.141 nan 8.280 nan 0.000 0.548 487 S N 0.530 116.311 115.700 0.134 0.000 2.598 487 S HA 0.001 4.471 4.470 -0.001 0.000 0.256 487 S C 0.977 175.643 174.600 0.110 0.000 1.350 487 S CA 0.038 58.309 58.200 0.119 0.000 0.984 487 S CB 1.094 64.366 63.200 0.120 0.000 0.930 487 S HN 0.484 nan 8.310 nan 0.000 0.577 488 Q N 0.174 120.030 119.800 0.092 0.000 2.157 488 Q HA 0.256 4.595 4.340 -0.001 0.000 0.229 488 Q C -0.579 175.469 176.000 0.080 0.000 0.827 488 Q CA -0.367 55.484 55.803 0.081 0.000 1.055 488 Q CB 0.603 29.378 28.738 0.063 0.000 1.157 488 Q HN 0.594 nan 8.270 nan 0.000 0.482 489 E N 0.477 120.736 120.200 0.098 0.000 2.314 489 E HA 0.236 4.586 4.350 -0.001 0.000 0.262 489 E C -0.140 176.536 176.600 0.128 0.000 1.093 489 E CA -0.256 56.209 56.400 0.108 0.000 0.908 489 E CB 0.911 30.691 29.700 0.132 0.000 1.091 489 E HN 0.003 nan 8.360 nan 0.000 0.425 490 S N 1.434 117.212 115.700 0.130 0.000 2.560 490 S HA 0.071 4.540 4.470 -0.001 0.000 0.284 490 S C 0.300 175.011 174.600 0.185 0.000 1.327 490 S CA -0.241 58.036 58.200 0.130 0.000 1.055 490 S CB 0.404 63.668 63.200 0.108 0.000 0.868 490 S HN 0.156 nan 8.310 nan 0.000 0.506 491 K N 2.000 122.501 120.400 0.168 0.000 2.227 491 K HA 0.135 4.454 4.320 -0.001 0.000 0.280 491 K C -0.559 176.206 176.600 0.275 0.000 1.041 491 K CA -0.373 56.041 56.287 0.210 0.000 0.905 491 K CB 0.767 33.366 32.500 0.165 0.000 1.068 491 K HN 0.707 nan 8.250 nan 0.000 0.470 492 W N 7.610 128.959 121.300 0.080 0.000 2.437 492 W HA 0.190 4.850 4.660 -0.001 0.000 0.312 492 W C -2.295 174.337 176.519 0.189 0.000 1.242 492 W CA -2.609 54.780 57.345 0.073 0.000 1.340 492 W CB -0.006 29.397 29.460 -0.096 0.000 1.327 492 W HN 0.395 nan 8.180 nan 0.000 0.476 493 P HA 0.038 nan 4.420 nan 0.000 0.274 493 P C -0.542 176.967 177.300 0.349 0.000 1.246 493 P CA -0.548 62.773 63.100 0.369 0.000 0.795 493 P CB 1.450 33.287 31.700 0.228 0.000 1.006 494 L N 1.982 123.275 121.223 0.118 0.000 2.426 494 L HA 0.238 4.577 4.340 -0.001 0.000 0.271 494 L C -0.023 176.847 176.870 0.000 0.000 1.169 494 L CA -0.434 54.284 54.840 -0.204 0.000 0.836 494 L CB -0.863 41.087 42.059 -0.180 0.000 1.112 494 L HN 0.252 nan 8.230 nan 0.000 0.465 495 F N 3.799 123.661 119.950 -0.146 0.000 2.424 495 F HA 0.479 5.005 4.527 -0.001 0.000 0.356 495 F C 0.340 176.120 175.800 -0.035 0.000 1.110 495 F CA -0.294 57.709 58.000 0.005 0.000 1.161 495 F CB 0.639 39.667 39.000 0.046 0.000 1.115 495 F HN 0.635 nan 8.300 nan 0.000 0.507 496 T N 1.263 115.540 114.554 -0.462 0.000 2.942 496 T HA 0.273 4.623 4.350 -0.001 0.000 0.289 496 T C 0.967 175.387 174.700 -0.466 0.000 1.044 496 T CA -0.361 61.561 62.100 -0.297 0.000 1.023 496 T CB 1.500 70.264 68.868 -0.173 0.000 1.123 496 T HN 0.547 nan 8.240 nan 0.000 0.512 497 T N 0.557 114.997 114.554 -0.190 0.000 2.699 497 T HA -0.120 4.230 4.350 -0.001 0.000 0.268 497 T C 1.751 176.353 174.700 -0.163 0.000 1.036 497 T CA 1.799 63.823 62.100 -0.126 0.000 1.147 497 T CB -0.301 68.528 68.868 -0.066 0.000 0.862 497 T HN 0.727 nan 8.240 nan 0.000 0.446 498 K N 0.409 120.717 120.400 -0.153 0.000 2.044 498 K HA -0.038 4.282 4.320 -0.001 0.000 0.204 498 K C 2.142 178.660 176.600 -0.136 0.000 1.049 498 K CA 0.989 57.207 56.287 -0.115 0.000 0.945 498 K CB 0.161 32.612 32.500 -0.082 0.000 0.724 498 K HN 0.298 nan 8.250 nan 0.000 0.440 499 E N 0.383 120.471 120.200 -0.187 0.000 2.276 499 E HA -0.070 4.279 4.350 -0.001 0.000 0.193 499 E C -0.116 176.352 176.600 -0.219 0.000 0.983 499 E CA 0.155 56.461 56.400 -0.157 0.000 0.861 499 E CB 0.245 29.875 29.700 -0.117 0.000 0.817 499 E HN 0.302 nan 8.360 nan 0.000 0.485 500 Q N 1.193 120.677 119.800 -0.526 0.000 2.434 500 Q HA -0.199 4.141 4.340 -0.001 0.000 0.299 500 Q C -0.696 175.269 176.000 -0.058 0.000 1.286 500 Q CA 0.695 56.047 55.803 -0.750 0.000 0.872 500 Q CB -1.531 27.056 28.738 -0.253 0.000 1.193 500 Q HN 0.194 nan 8.270 nan 0.000 0.466 501 K N 0.609 120.997 120.400 -0.019 0.000 2.237 501 K HA 0.541 4.861 4.320 -0.001 0.000 0.270 501 K C -0.001 176.900 176.600 0.501 0.000 1.015 501 K CA 0.055 56.455 56.287 0.187 0.000 0.949 501 K CB 0.476 33.030 32.500 0.089 0.000 0.976 501 K HN 0.222 nan 8.250 nan 0.000 0.472 502 F N -0.068 120.060 119.950 0.297 0.000 2.715 502 F HA 0.634 5.160 4.527 -0.001 0.000 0.318 502 F C -1.034 174.873 175.800 0.178 0.000 1.141 502 F CA -1.563 56.641 58.000 0.340 0.000 0.950 502 F CB 0.707 39.913 39.000 0.344 0.000 1.374 502 F HN 0.392 nan 8.300 nan 0.000 0.477 503 I N -0.951 119.715 120.570 0.160 0.000 2.846 503 I HA 0.653 4.823 4.170 -0.001 0.000 0.307 503 I C -1.132 175.110 176.117 0.209 0.000 1.053 503 I CA -0.881 60.357 61.300 -0.104 0.000 1.050 503 I CB 1.905 39.630 38.000 -0.459 0.000 1.239 503 I HN 0.421 nan 8.210 nan 0.000 0.439 504 D N 2.677 123.187 120.400 0.184 0.000 2.312 504 D HA 0.520 5.159 4.640 -0.001 0.000 0.248 504 D C -0.991 175.411 176.300 0.170 0.000 1.086 504 D CA 0.082 54.297 54.000 0.358 0.000 0.948 504 D CB 1.953 42.941 40.800 0.313 0.000 1.162 504 D HN 0.291 nan 8.370 nan 0.000 0.446 505 L N 2.746 124.077 121.223 0.180 0.000 2.388 505 L HA 0.301 4.640 4.340 -0.001 0.000 0.267 505 L C -0.763 176.031 176.870 -0.127 0.000 0.995 505 L CA -0.369 54.513 54.840 0.070 0.000 0.864 505 L CB 0.226 42.408 42.059 0.205 0.000 1.216 505 L HN 0.503 nan 8.230 nan 0.000 0.430 506 N N -0.324 118.307 118.700 -0.116 0.000 3.526 506 N HA 0.331 5.070 4.740 -0.001 0.000 0.328 506 N C 0.428 175.833 175.510 -0.176 0.000 1.601 506 N CA -0.050 52.878 53.050 -0.204 0.000 0.834 506 N CB 0.290 38.724 38.487 -0.089 0.000 1.983 506 N HN 0.076 nan 8.380 nan 0.000 0.579 507 T N -3.465 110.972 114.554 -0.195 0.000 3.113 507 T HA 0.187 4.537 4.350 -0.001 0.000 0.256 507 T C 0.022 174.688 174.700 -0.057 0.000 1.131 507 T CA 0.506 62.509 62.100 -0.161 0.000 1.074 507 T CB -0.457 68.294 68.868 -0.195 0.000 0.944 507 T HN 0.524 nan 8.240 nan 0.000 0.516 508 E N 1.860 122.047 120.200 -0.022 0.000 2.280 508 E HA 0.423 4.773 4.350 -0.001 0.000 0.261 508 E C -2.642 173.960 176.600 0.003 0.000 1.088 508 E CA -2.672 53.729 56.400 0.001 0.000 0.915 508 E CB 0.105 29.817 29.700 0.020 0.000 1.141 508 E HN 0.117 nan 8.360 nan 0.000 0.433 509 P HA -0.118 nan 4.420 nan 0.000 0.262 509 P C -0.397 176.906 177.300 0.006 0.000 1.182 509 P CA 0.422 63.529 63.100 0.011 0.000 0.761 509 P CB 0.297 32.002 31.700 0.009 0.000 0.795 510 M N 3.070 122.678 119.600 0.014 0.000 2.234 510 M HA -0.033 4.447 4.480 -0.001 0.000 0.326 510 M C -0.100 176.166 176.300 -0.056 0.000 1.077 510 M CA 0.973 56.269 55.300 -0.005 0.000 1.052 510 M CB 0.172 32.788 32.600 0.027 0.000 1.607 510 M HN 0.197 nan 8.290 nan 0.000 0.445 511 K N 3.683 124.008 120.400 -0.125 0.000 2.513 511 K HA 0.556 4.876 4.320 -0.001 0.000 0.251 511 K C -2.002 174.318 176.600 -0.467 0.000 0.939 511 K CA -0.847 55.281 56.287 -0.266 0.000 0.793 511 K CB 2.067 34.417 32.500 -0.250 0.000 1.241 511 K HN 0.622 nan 8.250 nan 0.000 0.431 512 V N 4.791 124.423 119.914 -0.470 0.000 2.481 512 V HA 0.428 4.547 4.120 -0.001 0.000 0.286 512 V C -0.142 175.534 176.094 -0.696 0.000 1.042 512 V CA -0.470 61.555 62.300 -0.458 0.000 0.928 512 V CB 1.253 32.956 31.823 -0.200 0.000 0.986 512 V HN 0.777 nan 8.190 nan 0.000 0.462 513 H N 2.910 121.622 119.070 -0.597 0.000 2.906 513 H HA 0.653 5.209 4.556 -0.001 0.000 0.337 513 H C -1.076 173.959 175.328 -0.489 0.000 1.257 513 H CA -0.830 54.845 56.048 -0.622 0.000 1.192 513 H CB 2.218 31.425 29.762 -0.924 0.000 1.912 513 H HN 0.564 nan 8.280 nan 0.000 0.573 514 Q N 0.214 120.017 119.800 0.004 0.000 2.421 514 Q HA 0.368 4.708 4.340 -0.001 0.000 0.280 514 Q C -0.695 175.523 176.000 0.363 0.000 1.085 514 Q CA -0.964 54.952 55.803 0.188 0.000 0.807 514 Q CB 2.880 31.669 28.738 0.085 0.000 1.405 514 Q HN 0.463 nan 8.270 nan 0.000 0.419 515 R N 0.820 121.546 120.500 0.376 0.000 3.059 515 R HA -0.204 4.136 4.340 -0.001 0.000 0.251 515 R C -0.516 175.948 176.300 0.273 0.000 0.886 515 R CA -0.170 56.108 56.100 0.296 0.000 0.634 515 R CB -1.590 28.820 30.300 0.184 0.000 1.282 515 R HN 0.438 nan 8.270 nan 0.000 0.487 516 L N 2.438 123.773 121.223 0.186 0.000 2.660 516 L HA -0.032 4.308 4.340 -0.001 0.000 0.272 516 L C 0.901 177.748 176.870 -0.038 0.000 1.194 516 L CA 0.609 55.317 54.840 -0.219 0.000 0.945 516 L CB -0.381 41.171 42.059 -0.844 0.000 1.212 516 L HN 0.526 nan 8.230 nan 0.000 0.490 517 R N 2.204 122.698 120.500 -0.010 0.000 3.387 517 R HA -0.197 4.143 4.340 -0.001 0.000 0.254 517 R C 1.234 177.616 176.300 0.137 0.000 1.006 517 R CA 0.618 56.764 56.100 0.076 0.000 0.677 517 R CB -2.096 28.274 30.300 0.117 0.000 1.063 517 R HN 0.750 nan 8.270 nan 0.000 0.453 518 V N -2.387 117.604 119.914 0.128 0.000 2.287 518 V HA -0.350 3.769 4.120 -0.001 0.000 0.248 518 V C 2.345 178.530 176.094 0.152 0.000 1.053 518 V CA 2.184 64.573 62.300 0.149 0.000 1.027 518 V CB -0.509 31.391 31.823 0.129 0.000 0.646 518 V HN 0.288 nan 8.190 nan 0.000 0.447 519 Q N -0.146 119.722 119.800 0.112 0.000 2.029 519 Q HA -0.217 4.123 4.340 -0.001 0.000 0.209 519 Q C 2.184 178.265 176.000 0.135 0.000 0.999 519 Q CA 2.400 58.255 55.803 0.086 0.000 0.857 519 Q CB -0.464 28.291 28.738 0.027 0.000 0.926 519 Q HN 0.541 nan 8.270 nan 0.000 0.415 520 M N -1.120 118.583 119.600 0.173 0.000 2.117 520 M HA -0.144 4.336 4.480 -0.001 0.000 0.262 520 M C 2.440 179.072 176.300 0.553 0.000 1.065 520 M CA 1.074 56.569 55.300 0.326 0.000 1.114 520 M CB -1.420 31.435 32.600 0.424 0.000 1.361 520 M HN 0.321 nan 8.290 nan 0.000 0.408 521 c N -0.445 118.418 118.600 0.438 0.000 2.432 521 c HA -0.018 4.551 4.570 -0.001 0.000 0.282 521 c C 2.950 177.263 174.090 0.371 0.000 1.388 521 c CA 0.217 56.814 56.329 0.446 0.000 1.777 521 c CB -0.916 41.784 42.510 0.316 0.000 1.882 521 c HN 0.328 nan 8.230 nan 0.000 0.520 522 V N 0.425 120.518 119.914 0.299 0.000 2.548 522 V HA -0.182 3.938 4.120 -0.001 0.000 0.249 522 V C 1.979 178.237 176.094 0.274 0.000 1.055 522 V CA 1.972 64.418 62.300 0.242 0.000 1.065 522 V CB -0.698 31.235 31.823 0.182 0.000 0.681 522 V HN 0.609 nan 8.190 nan 0.000 0.462 523 F N -0.156 119.880 119.950 0.145 0.000 2.113 523 F HA -0.153 4.374 4.527 -0.001 0.000 0.297 523 F C 1.928 177.776 175.800 0.081 0.000 1.103 523 F CA 1.614 59.666 58.000 0.088 0.000 1.248 523 F CB -0.346 38.607 39.000 -0.079 0.000 0.999 523 F HN 0.170 nan 8.300 nan 0.000 0.475 524 W N 0.645 122.072 121.300 0.211 0.000 2.436 524 W HA -0.060 4.599 4.660 -0.001 0.000 0.284 524 W C 1.913 178.423 176.519 -0.016 0.000 1.225 524 W CA 0.739 58.109 57.345 0.042 0.000 1.271 524 W CB -0.431 29.193 29.460 0.274 0.000 1.114 524 W HN -0.020 nan 8.180 nan 0.000 0.559 525 N N -0.957 117.896 118.700 0.255 0.000 2.356 525 N HA -0.036 4.703 4.740 -0.001 0.000 0.178 525 N C 1.520 177.057 175.510 0.045 0.000 1.075 525 N CA 0.807 53.922 53.050 0.109 0.000 0.889 525 N CB 0.080 38.654 38.487 0.144 0.000 0.999 525 N HN 0.218 nan 8.380 nan 0.000 0.464 526 Q N -0.837 119.005 119.800 0.070 0.000 2.631 526 Q HA 0.189 4.529 4.340 -0.001 0.000 0.220 526 Q C 1.545 177.554 176.000 0.016 0.000 0.819 526 Q CA -0.008 55.831 55.803 0.060 0.000 0.914 526 Q CB -0.608 28.201 28.738 0.120 0.000 1.248 526 Q HN 0.175 nan 8.270 nan 0.000 0.629 527 F N 2.359 122.235 119.950 -0.124 0.000 2.039 527 F HA -0.147 4.379 4.527 -0.001 0.000 0.294 527 F C 2.155 177.773 175.800 -0.304 0.000 1.130 527 F CA 1.048 58.941 58.000 -0.177 0.000 1.189 527 F CB -0.514 38.413 39.000 -0.120 0.000 0.983 527 F HN 0.082 nan 8.300 nan 0.000 0.471 528 L N 1.166 121.923 121.223 -0.777 0.000 2.021 528 L HA -0.165 4.174 4.340 -0.001 0.000 0.215 528 L C -0.868 175.695 176.870 -0.512 0.000 1.074 528 L CA 2.366 56.707 54.840 -0.832 0.000 0.760 528 L CB -1.932 39.552 42.059 -0.958 0.000 0.889 528 L HN 0.048 nan 8.230 nan 0.000 0.433 529 P HA -0.203 nan 4.420 nan 0.000 0.215 529 P C 1.531 178.692 177.300 -0.230 0.000 1.157 529 P CA 1.616 64.589 63.100 -0.211 0.000 0.868 529 P CB -0.066 31.554 31.700 -0.133 0.000 0.788 530 K N -0.379 119.864 120.400 -0.262 0.000 2.063 530 K HA -0.159 4.160 4.320 -0.001 0.000 0.208 530 K C 1.939 178.362 176.600 -0.296 0.000 1.048 530 K CA 1.112 57.263 56.287 -0.226 0.000 0.928 530 K CB -0.782 31.610 32.500 -0.179 0.000 0.713 530 K HN -0.047 nan 8.250 nan 0.000 0.442 531 L N 1.648 122.567 121.223 -0.507 0.000 2.012 531 L HA -0.165 4.174 4.340 -0.001 0.000 0.210 531 L C 1.830 178.542 176.870 -0.263 0.000 1.073 531 L CA 1.733 56.295 54.840 -0.464 0.000 0.748 531 L CB -1.046 40.578 42.059 -0.725 0.000 0.891 531 L HN 0.292 nan 8.230 nan 0.000 0.431 532 L N -0.105 120.973 121.223 -0.242 0.000 2.156 532 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 532 L C 2.529 179.327 176.870 -0.120 0.000 1.095 532 L CA 1.322 56.070 54.840 -0.154 0.000 0.770 532 L CB -0.721 41.257 42.059 -0.135 0.000 0.914 532 L HN 0.489 nan 8.230 nan 0.000 0.439 533 N N 0.518 119.142 118.700 -0.126 0.000 2.142 533 N HA -0.159 4.581 4.740 -0.001 0.000 0.186 533 N C 1.866 177.328 175.510 -0.081 0.000 1.023 533 N CA 1.296 54.289 53.050 -0.094 0.000 0.852 533 N CB 0.223 38.658 38.487 -0.087 0.000 0.998 533 N HN 0.305 nan 8.380 nan 0.000 0.424 534 A N 0.594 123.358 122.820 -0.094 0.000 1.855 534 A HA -0.040 4.280 4.320 -0.001 0.000 0.215 534 A C 1.571 179.119 177.584 -0.060 0.000 1.191 534 A CA 1.641 53.635 52.037 -0.071 0.000 0.613 534 A CB -1.159 17.797 19.000 -0.074 0.000 0.829 534 A HN 0.579 nan 8.150 nan 0.000 0.442 535 T N 0.000 114.512 114.554 -0.071 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.068 62.100 -0.053 0.000 1.349 535 T CB 0.000 68.836 68.868 -0.053 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658