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 1uvj_1_C DATA FIRST_RESID 1 DATA SEQUENCE PRRAPAFPLS DIKAQMLFAN NIKAQQASKR SFKEGAIETY EGLLSVDPRF DATA SEQUENCE LSFKNELSRY LTDHFPANVD EYGRVYGNGV RTNFFGMRHM NGFPMIPATW DATA SEQUENCE PLASNLKKRA DADLADGPVS ERDNLLFRAA VRLMFSDLEP VPLKIRKGSS DATA SEQUENCE TCIPYFSNDM GTKIEIAERA LEKAEEAGNL MLQGKFDDAY QLHQMGGAYY DATA SEQUENCE VVYRAQSTDA ITLDPKTGKF VSKDRMVADF EYAVTGGEQG SLFAASKDAS DATA SEQUENCE RLKEQYGIDV PDGFFCERRR TAMGGPFALN APIMAVAQPV RNKIYSKYAY DATA SEQUENCE TFHHTTRLNK EEKVKEWSLC VATDVSDHDT FWPGWLRDLI CDELLNMGYA DATA SEQUENCE PWWVKLFETS LKLPVYVGAP APEQGHTLLG DPSNPDLEVG LSSGQGATDL DATA SEQUENCE MGTLLMSITY LVMQLDHTAP HLNSRIKDMP SACRFLDSYW QGHEEIRQIS DATA SEQUENCE KSDDAMLGWT KGRALVGGHR LFEMLKEGKV NPSPYMKISY EHGGAFLGDI DATA SEQUENCE LLYDSRREPG SAIFVGNINS MLNNQFSPEY GVQSGVRDRS KRKRPFPGLA DATA SEQUENCE WASMKDTYGA CPIYSDVLEA IERCWWNAFG ESYRAYREDM LKRDTLELSR DATA SEQUENCE YVASMARQAG LAELTPIDLE VLADPNKLQY KWTEADVSAN IHEVLMHGVS DATA SEQUENCE VEKTERFLRS VMPR 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 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.276 177.300 -0.040 0.000 1.155 1 P CA 0.000 63.079 63.100 -0.035 0.000 0.800 1 P CB 0.000 31.679 31.700 -0.035 0.000 0.726 2 R N 2.127 122.602 120.500 -0.042 0.000 1.331 2 R HA -0.110 4.223 4.340 -0.011 0.000 0.415 2 R C -0.623 175.639 176.300 -0.064 0.000 1.317 2 R CA 0.833 56.907 56.100 -0.044 0.000 1.070 2 R CB -0.203 30.079 30.300 -0.030 0.000 3.226 2 R HN 0.569 nan 8.270 nan 0.000 0.497 3 R N 3.994 124.450 120.500 -0.074 0.000 2.490 3 R HA 0.695 5.029 4.340 -0.011 0.000 0.278 3 R C 0.029 176.275 176.300 -0.090 0.000 1.069 3 R CA -0.004 56.034 56.100 -0.104 0.000 1.080 3 R CB 1.205 31.435 30.300 -0.116 0.000 1.030 3 R HN 0.620 nan 8.270 nan 0.000 0.491 4 A N 4.343 127.101 122.820 -0.104 0.000 2.425 4 A HA 0.352 4.665 4.320 -0.011 0.000 0.249 4 A C -1.954 175.576 177.584 -0.090 0.000 1.084 4 A CA -1.583 50.412 52.037 -0.070 0.000 0.781 4 A CB -0.179 18.789 19.000 -0.054 0.000 1.019 4 A HN 0.774 nan 8.150 nan 0.000 0.490 5 P HA 0.409 nan 4.420 nan 0.000 0.275 5 P C -0.694 176.419 177.300 -0.312 0.000 1.227 5 P CA 0.084 63.052 63.100 -0.221 0.000 0.781 5 P CB 1.305 32.910 31.700 -0.159 0.000 0.906 6 A N 3.004 125.554 122.820 -0.450 0.000 2.371 6 A HA 0.770 5.084 4.320 -0.011 0.000 0.311 6 A C -1.289 175.966 177.584 -0.549 0.000 1.068 6 A CA -0.550 51.342 52.037 -0.242 0.000 0.744 6 A CB 0.791 19.904 19.000 0.189 0.000 1.239 6 A HN 0.383 nan 8.150 nan 0.000 0.435 7 F N 2.718 122.766 119.950 0.163 0.000 2.529 7 F HA 0.539 5.062 4.527 -0.007 0.000 0.320 7 F C -2.130 173.770 175.800 0.165 0.000 1.118 7 F CA -2.228 55.857 58.000 0.142 0.000 0.915 7 F CB 2.256 41.339 39.000 0.138 0.000 1.161 7 F HN 0.354 nan 8.300 nan 0.000 0.445 8 P HA 0.015 nan 4.420 nan 0.000 0.272 8 P C 0.829 178.313 177.300 0.308 0.000 1.240 8 P CA -0.363 62.877 63.100 0.233 0.000 0.791 8 P CB 1.404 33.191 31.700 0.145 0.000 0.978 9 L N 2.794 124.214 121.223 0.328 0.000 2.081 9 L HA -0.221 4.113 4.340 -0.011 0.000 0.212 9 L C 2.350 179.361 176.870 0.235 0.000 1.080 9 L CA 2.718 57.776 54.840 0.362 0.000 0.754 9 L CB -1.765 40.487 42.059 0.320 0.000 0.893 9 L HN 0.493 nan 8.230 nan 0.000 0.433 10 S N -1.950 113.854 115.700 0.173 0.000 2.474 10 S HA -0.128 4.335 4.470 -0.011 0.000 0.235 10 S C 1.034 175.713 174.600 0.131 0.000 0.997 10 S CA 0.312 58.587 58.200 0.125 0.000 0.949 10 S CB -0.865 62.391 63.200 0.093 0.000 0.766 10 S HN 0.616 nan 8.310 nan 0.000 0.517 11 D N 0.863 121.366 120.400 0.172 0.000 2.414 11 D HA 0.068 4.701 4.640 -0.011 0.000 0.242 11 D C 1.124 177.485 176.300 0.103 0.000 1.129 11 D CA -0.200 53.893 54.000 0.155 0.000 0.885 11 D CB 0.855 41.800 40.800 0.242 0.000 1.198 11 D HN 0.123 nan 8.370 nan 0.000 0.437 12 I N 4.297 124.901 120.570 0.057 0.000 2.335 12 I HA -0.250 3.913 4.170 -0.011 0.000 0.251 12 I C 2.039 178.144 176.117 -0.020 0.000 1.129 12 I CA 1.607 62.923 61.300 0.028 0.000 1.402 12 I CB -0.042 37.967 38.000 0.014 0.000 1.069 12 I HN 0.400 nan 8.210 nan 0.000 0.424 13 K N 0.152 120.484 120.400 -0.113 0.000 2.147 13 K HA -0.073 4.240 4.320 -0.011 0.000 0.205 13 K C 2.094 178.625 176.600 -0.116 0.000 1.049 13 K CA 1.301 57.448 56.287 -0.234 0.000 0.936 13 K CB -0.271 31.844 32.500 -0.641 0.000 0.722 13 K HN 0.478 nan 8.250 nan 0.000 0.446 14 A N 0.883 123.724 122.820 0.036 0.000 1.903 14 A HA -0.105 4.208 4.320 -0.011 0.000 0.213 14 A C 2.026 179.732 177.584 0.202 0.000 1.185 14 A CA 0.758 52.908 52.037 0.188 0.000 0.628 14 A CB -0.178 19.053 19.000 0.385 0.000 0.830 14 A HN 0.117 nan 8.150 nan 0.000 0.446 15 Q N -0.272 119.638 119.800 0.183 0.000 2.135 15 Q HA -0.138 4.195 4.340 -0.011 0.000 0.204 15 Q C 2.011 178.108 176.000 0.161 0.000 0.981 15 Q CA 1.412 57.339 55.803 0.206 0.000 0.856 15 Q CB -0.475 28.340 28.738 0.128 0.000 0.902 15 Q HN 0.691 nan 8.270 nan 0.000 0.425 16 M N 0.008 119.649 119.600 0.068 0.000 2.549 16 M HA -0.071 4.403 4.480 -0.011 0.000 0.260 16 M C 1.696 178.012 176.300 0.027 0.000 1.076 16 M CA 0.818 56.157 55.300 0.065 0.000 1.090 16 M CB -0.308 32.336 32.600 0.073 0.000 1.418 16 M HN 0.143 nan 8.290 nan 0.000 0.486 17 L N -1.020 120.080 121.223 -0.205 0.000 2.554 17 L HA 0.078 4.412 4.340 -0.011 0.000 0.226 17 L C -0.220 176.175 176.870 -0.791 0.000 1.137 17 L CA 0.182 54.688 54.840 -0.558 0.000 0.863 17 L CB -0.174 41.311 42.059 -0.958 0.000 0.985 17 L HN 0.069 nan 8.230 nan 0.000 0.451 18 F N -0.019 119.949 119.950 0.030 0.000 2.507 18 F HA 0.594 5.114 4.527 -0.012 0.000 0.328 18 F C 0.631 176.442 175.800 0.019 0.000 1.136 18 F CA -1.038 56.978 58.000 0.027 0.000 0.930 18 F CB 0.869 39.825 39.000 -0.072 0.000 1.166 18 F HN -0.224 nan 8.300 nan 0.000 0.436 19 A N 1.741 124.662 122.820 0.169 0.000 2.366 19 A HA 0.140 4.453 4.320 -0.011 0.000 0.250 19 A C 0.503 178.177 177.584 0.150 0.000 1.099 19 A CA -0.392 51.725 52.037 0.133 0.000 0.794 19 A CB 0.115 19.243 19.000 0.213 0.000 1.056 19 A HN 0.782 nan 8.150 nan 0.000 0.499 20 N N 0.582 119.357 118.700 0.125 0.000 3.243 20 N HA 0.145 4.878 4.740 -0.011 0.000 0.310 20 N C -0.845 174.714 175.510 0.082 0.000 1.313 20 N CA -0.019 53.084 53.050 0.088 0.000 1.204 20 N CB -0.827 37.700 38.487 0.067 0.000 1.483 20 N HN 0.706 nan 8.380 nan 0.000 0.553 21 N N -0.924 117.831 118.700 0.092 0.000 2.329 21 N HA 0.260 4.993 4.740 -0.011 0.000 0.282 21 N C 0.622 176.157 175.510 0.043 0.000 1.198 21 N CA -0.809 52.284 53.050 0.072 0.000 0.790 21 N CB 0.802 39.349 38.487 0.100 0.000 1.579 21 N HN -0.256 nan 8.380 nan 0.000 0.475 22 I N 0.551 121.133 120.570 0.020 0.000 2.194 22 I HA -0.249 3.915 4.170 -0.011 0.000 0.246 22 I C 1.821 177.921 176.117 -0.028 0.000 1.093 22 I CA 1.484 62.780 61.300 -0.007 0.000 1.355 22 I CB -0.999 36.997 38.000 -0.006 0.000 1.046 22 I HN 0.663 nan 8.210 nan 0.000 0.413 23 K N 0.987 121.386 120.400 -0.001 0.000 2.026 23 K HA -0.100 4.214 4.320 -0.011 0.000 0.208 23 K C 2.245 178.774 176.600 -0.119 0.000 1.048 23 K CA 1.575 57.850 56.287 -0.020 0.000 0.929 23 K CB -0.294 32.241 32.500 0.058 0.000 0.713 23 K HN 0.310 nan 8.250 nan 0.000 0.439 24 A N 1.842 124.649 122.820 -0.022 0.000 1.902 24 A HA -0.187 4.127 4.320 -0.011 0.000 0.217 24 A C 2.214 179.630 177.584 -0.280 0.000 1.181 24 A CA 1.269 53.236 52.037 -0.116 0.000 0.623 24 A CB -0.330 18.835 19.000 0.274 0.000 0.818 24 A HN 0.224 nan 8.150 nan 0.000 0.443 25 Q N -0.311 119.399 119.800 -0.151 0.000 2.084 25 Q HA -0.214 4.120 4.340 -0.011 0.000 0.202 25 Q C 2.160 177.990 176.000 -0.284 0.000 0.978 25 Q CA 1.851 57.529 55.803 -0.207 0.000 0.844 25 Q CB -0.482 28.200 28.738 -0.095 0.000 0.898 25 Q HN 0.824 nan 8.270 nan 0.000 0.426 26 Q N -0.137 119.533 119.800 -0.216 0.000 2.124 26 Q HA -0.072 4.262 4.340 -0.011 0.000 0.202 26 Q C 1.993 177.853 176.000 -0.235 0.000 0.977 26 Q CA 1.258 56.953 55.803 -0.179 0.000 0.850 26 Q CB -0.125 28.546 28.738 -0.112 0.000 0.901 26 Q HN 0.381 nan 8.270 nan 0.000 0.429 27 A N 0.796 123.365 122.820 -0.417 0.000 1.933 27 A HA -0.201 4.112 4.320 -0.011 0.000 0.218 27 A C 2.219 179.612 177.584 -0.319 0.000 1.175 27 A CA 1.727 53.483 52.037 -0.469 0.000 0.628 27 A CB -0.606 17.625 19.000 -1.281 0.000 0.814 27 A HN 0.464 nan 8.150 nan 0.000 0.444 28 S N -0.134 115.105 115.700 -0.768 0.000 2.383 28 S HA -0.106 4.357 4.470 -0.011 0.000 0.227 28 S C 1.606 176.094 174.600 -0.187 0.000 1.026 28 S CA 1.435 59.026 58.200 -1.014 0.000 0.981 28 S CB -0.266 61.782 63.200 -1.921 0.000 0.818 28 S HN 0.616 nan 8.310 nan 0.000 0.472 29 K N 0.445 120.740 120.400 -0.175 0.000 2.353 29 K HA 0.244 4.558 4.320 -0.011 0.000 0.195 29 K C 0.612 177.211 176.600 -0.002 0.000 1.031 29 K CA -0.377 55.839 56.287 -0.119 0.000 1.079 29 K CB 0.167 32.564 32.500 -0.172 0.000 0.857 29 K HN 0.253 nan 8.250 nan 0.000 0.535 30 R N 2.668 123.235 120.500 0.111 0.000 2.494 30 R HA -0.059 4.274 4.340 -0.011 0.000 0.291 30 R C -0.014 176.465 176.300 0.298 0.000 0.953 30 R CA 0.304 56.495 56.100 0.152 0.000 1.098 30 R CB 0.303 30.690 30.300 0.144 0.000 0.911 30 R HN 0.131 nan 8.270 nan 0.000 0.407 31 S N 4.063 119.880 115.700 0.194 0.000 2.693 31 S HA 0.221 4.685 4.470 -0.011 0.000 0.276 31 S C -0.004 174.740 174.600 0.240 0.000 1.192 31 S CA -0.940 57.417 58.200 0.261 0.000 0.994 31 S CB 0.733 64.039 63.200 0.178 0.000 1.012 31 S HN 0.499 nan 8.310 nan 0.000 0.550 32 F N 1.380 121.403 119.950 0.123 0.000 2.629 32 F HA 0.389 4.910 4.527 -0.011 0.000 0.377 32 F C 0.184 176.031 175.800 0.080 0.000 1.101 32 F CA 0.674 58.721 58.000 0.079 0.000 1.301 32 F CB 0.228 39.267 39.000 0.066 0.000 1.062 32 F HN 0.593 nan 8.300 nan 0.000 0.583 33 K N 4.597 124.595 120.400 -0.671 0.000 2.464 33 K HA 0.438 4.751 4.320 -0.011 0.000 0.253 33 K C -1.484 174.712 176.600 -0.674 0.000 0.933 33 K CA -0.748 55.272 56.287 -0.444 0.000 0.801 33 K CB 1.844 34.213 32.500 -0.218 0.000 1.271 33 K HN 0.732 nan 8.250 nan 0.000 0.430 34 E N 0.716 120.683 120.200 -0.389 0.000 2.407 34 E HA 0.809 5.152 4.350 -0.011 0.000 0.279 34 E C -0.827 175.481 176.600 -0.488 0.000 1.012 34 E CA -1.503 54.655 56.400 -0.403 0.000 0.800 34 E CB 1.896 31.508 29.700 -0.146 0.000 1.276 34 E HN 0.601 nan 8.360 nan 0.000 0.452 35 G N -0.186 108.051 108.800 -0.939 0.000 2.384 35 G HA2 0.486 4.440 3.960 -0.011 0.000 0.300 35 G HA3 0.486 4.440 3.960 -0.011 0.000 0.300 35 G C -1.158 173.146 174.900 -0.994 0.000 1.582 35 G CA -0.452 44.074 45.100 -0.955 0.000 0.875 35 G HN 0.755 nan 8.290 nan 0.000 0.628 36 A N 0.474 122.932 122.820 -0.602 0.000 2.498 36 A HA 0.558 4.871 4.320 -0.011 0.000 0.239 36 A C 0.955 178.438 177.584 -0.169 0.000 1.068 36 A CA 0.399 52.300 52.037 -0.225 0.000 0.766 36 A CB -0.262 18.789 19.000 0.084 0.000 1.003 36 A HN 1.802 nan 8.150 nan 0.000 0.497 37 I N -0.870 119.641 120.570 -0.098 0.000 2.612 37 I HA 0.416 4.580 4.170 -0.011 0.000 0.295 37 I C 0.357 176.450 176.117 -0.041 0.000 1.011 37 I CA -0.559 60.699 61.300 -0.070 0.000 1.326 37 I CB 1.085 39.057 38.000 -0.047 0.000 1.427 37 I HN 0.713 nan 8.210 nan 0.000 0.537 38 E N 3.333 123.506 120.200 -0.046 0.000 1.861 38 E HA 0.108 4.452 4.350 -0.011 0.000 0.263 38 E C 0.455 177.003 176.600 -0.087 0.000 1.137 38 E CA -0.162 56.211 56.400 -0.045 0.000 0.944 38 E CB 0.454 30.136 29.700 -0.029 0.000 1.092 38 E HN 0.837 nan 8.360 nan 0.000 0.420 39 T N 3.345 117.822 114.554 -0.128 0.000 2.649 39 T HA -0.201 4.143 4.350 -0.011 0.000 0.268 39 T C -0.123 174.244 174.700 -0.556 0.000 1.036 39 T CA 1.622 63.552 62.100 -0.284 0.000 1.157 39 T CB -0.122 68.570 68.868 -0.294 0.000 0.861 39 T HN 0.363 nan 8.240 nan 0.000 0.445 40 Y N -0.357 119.945 120.300 0.003 0.000 2.615 40 Y HA 0.383 4.926 4.550 -0.011 0.000 0.341 40 Y C -0.252 175.659 175.900 0.018 0.000 1.089 40 Y CA -1.847 56.273 58.100 0.033 0.000 1.049 40 Y CB 1.128 39.659 38.460 0.119 0.000 1.296 40 Y HN -0.038 nan 8.280 nan 0.000 0.470 41 E N 0.761 121.073 120.200 0.187 0.000 2.652 41 E HA 0.221 4.564 4.350 -0.011 0.000 0.255 41 E C 0.794 177.452 176.600 0.096 0.000 0.952 41 E CA 1.446 57.902 56.400 0.094 0.000 0.947 41 E CB 0.004 29.740 29.700 0.060 0.000 0.912 41 E HN 0.901 nan 8.360 nan 0.000 0.489 42 G N 3.292 112.124 108.800 0.054 0.000 2.155 42 G HA2 -0.295 3.658 3.960 -0.011 0.000 0.257 42 G HA3 -0.295 3.658 3.960 -0.011 0.000 0.257 42 G C -0.039 174.883 174.900 0.038 0.000 0.983 42 G CA 0.011 45.137 45.100 0.043 0.000 0.676 42 G HN 0.469 nan 8.290 nan 0.000 0.528 43 L N 0.469 121.713 121.223 0.035 0.000 2.404 43 L HA 0.592 4.925 4.340 -0.011 0.000 0.272 43 L C -0.527 176.315 176.870 -0.047 0.000 0.980 43 L CA -1.069 53.765 54.840 -0.009 0.000 0.836 43 L CB 1.211 43.248 42.059 -0.036 0.000 1.238 43 L HN -0.012 nan 8.230 nan 0.000 0.408 44 L N 2.859 124.072 121.223 -0.017 0.000 2.350 44 L HA 0.224 4.557 4.340 -0.011 0.000 0.275 44 L C 1.611 178.510 176.870 0.049 0.000 1.099 44 L CA 0.500 55.347 54.840 0.012 0.000 0.808 44 L CB 1.785 43.870 42.059 0.044 0.000 1.149 44 L HN 0.748 nan 8.230 nan 0.000 0.442 45 S N 1.587 117.351 115.700 0.107 0.000 2.440 45 S HA -0.126 4.338 4.470 -0.011 0.000 0.238 45 S C 1.142 175.985 174.600 0.405 0.000 1.010 45 S CA 1.058 59.446 58.200 0.313 0.000 0.972 45 S CB -0.533 62.845 63.200 0.298 0.000 0.774 45 S HN 0.580 nan 8.310 nan 0.000 0.501 46 V N -1.361 118.706 119.914 0.255 0.000 3.542 46 V HA 0.276 4.389 4.120 -0.011 0.000 0.296 46 V C 0.407 176.564 176.094 0.105 0.000 1.364 46 V CA -0.365 62.040 62.300 0.175 0.000 1.118 46 V CB -0.769 31.147 31.823 0.156 0.000 0.972 46 V HN 0.315 nan 8.190 nan 0.000 0.430 47 D N 2.445 122.932 120.400 0.144 0.000 2.531 47 D HA 0.031 4.664 4.640 -0.011 0.000 0.239 47 D C -1.339 174.978 176.300 0.028 0.000 1.144 47 D CA -0.812 53.237 54.000 0.082 0.000 0.869 47 D CB 1.939 42.806 40.800 0.111 0.000 1.160 47 D HN 0.164 nan 8.370 nan 0.000 0.484 48 P HA -0.164 nan 4.420 nan 0.000 0.217 48 P C 1.013 178.195 177.300 -0.195 0.000 1.151 48 P CA 1.456 64.475 63.100 -0.135 0.000 0.849 48 P CB 0.249 31.873 31.700 -0.128 0.000 0.787 49 R N -2.013 118.327 120.500 -0.268 0.000 2.066 49 R HA -0.070 4.263 4.340 -0.011 0.000 0.232 49 R C 2.182 178.209 176.300 -0.455 0.000 1.131 49 R CA 1.031 56.797 56.100 -0.557 0.000 0.955 49 R CB -1.475 28.172 30.300 -1.089 0.000 0.851 49 R HN 0.137 nan 8.270 nan 0.000 0.432 50 F N 1.437 121.199 119.950 -0.313 0.000 2.126 50 F HA -0.112 4.409 4.527 -0.011 0.000 0.299 50 F C 1.679 177.524 175.800 0.075 0.000 1.096 50 F CA 1.378 59.391 58.000 0.022 0.000 1.255 50 F CB -0.235 38.874 39.000 0.182 0.000 0.997 50 F HN -0.094 nan 8.300 nan 0.000 0.479 51 L N -1.238 119.938 121.223 -0.079 0.000 2.093 51 L HA -0.197 4.136 4.340 -0.011 0.000 0.208 51 L C 2.708 179.431 176.870 -0.244 0.000 1.085 51 L CA 1.443 56.085 54.840 -0.330 0.000 0.755 51 L CB -1.137 40.566 42.059 -0.594 0.000 0.904 51 L HN 0.172 nan 8.230 nan 0.000 0.435 52 S N 0.118 115.700 115.700 -0.198 0.000 2.356 52 S HA -0.240 4.223 4.470 -0.011 0.000 0.223 52 S C 2.004 176.563 174.600 -0.068 0.000 1.032 52 S CA 1.366 59.486 58.200 -0.134 0.000 1.005 52 S CB -0.376 62.726 63.200 -0.164 0.000 0.867 52 S HN 0.414 nan 8.310 nan 0.000 0.449 53 F N 2.191 121.998 119.950 -0.239 0.000 2.065 53 F HA -0.105 4.415 4.527 -0.011 0.000 0.298 53 F C 2.122 177.822 175.800 -0.167 0.000 1.112 53 F CA 2.065 59.944 58.000 -0.202 0.000 1.212 53 F CB -0.565 38.306 39.000 -0.216 0.000 0.975 53 F HN 0.142 nan 8.300 nan 0.000 0.476 54 K N -0.022 120.171 120.400 -0.345 0.000 2.097 54 K HA -0.240 4.073 4.320 -0.011 0.000 0.206 54 K C 1.945 178.470 176.600 -0.125 0.000 1.049 54 K CA 1.541 57.611 56.287 -0.362 0.000 0.933 54 K CB -0.515 31.933 32.500 -0.087 0.000 0.717 54 K HN 0.358 nan 8.250 nan 0.000 0.442 55 N N 1.494 120.244 118.700 0.082 0.000 2.058 55 N HA -0.235 4.499 4.740 -0.011 0.000 0.191 55 N C 1.743 177.270 175.510 0.029 0.000 1.037 55 N CA 1.813 54.930 53.050 0.110 0.000 0.848 55 N CB -0.033 38.559 38.487 0.175 0.000 1.021 55 N HN 0.231 nan 8.380 nan 0.000 0.422 56 E N -0.698 119.482 120.200 -0.033 0.000 2.031 56 E HA -0.196 4.147 4.350 -0.011 0.000 0.193 56 E C 1.971 178.549 176.600 -0.037 0.000 0.994 56 E CA 1.117 57.507 56.400 -0.017 0.000 0.800 56 E CB -0.280 29.395 29.700 -0.042 0.000 0.752 56 E HN 0.369 nan 8.360 nan 0.000 0.447 57 L N 1.047 122.125 121.223 -0.241 0.000 2.017 57 L HA -0.188 4.145 4.340 -0.011 0.000 0.208 57 L C 2.526 179.355 176.870 -0.069 0.000 1.073 57 L CA 2.488 57.173 54.840 -0.259 0.000 0.745 57 L CB -0.801 40.852 42.059 -0.675 0.000 0.894 57 L HN 0.289 nan 8.230 nan 0.000 0.432 58 S N -0.702 114.981 115.700 -0.028 0.000 2.370 58 S HA -0.245 4.218 4.470 -0.011 0.000 0.226 58 S C 2.132 176.903 174.600 0.286 0.000 1.033 58 S CA 1.262 59.553 58.200 0.152 0.000 1.011 58 S CB -0.691 62.663 63.200 0.257 0.000 0.852 58 S HN 0.520 nan 8.310 nan 0.000 0.457 59 R N -0.420 120.302 120.500 0.369 0.000 2.075 59 R HA -0.009 4.324 4.340 -0.011 0.000 0.232 59 R C 2.349 178.813 176.300 0.274 0.000 1.126 59 R CA 1.566 57.931 56.100 0.442 0.000 0.963 59 R CB -0.629 29.881 30.300 0.351 0.000 0.858 59 R HN 0.576 nan 8.270 nan 0.000 0.435 60 Y N 1.586 121.955 120.300 0.115 0.000 2.114 60 Y HA -0.202 4.341 4.550 -0.011 0.000 0.284 60 Y C 1.979 177.952 175.900 0.121 0.000 1.143 60 Y CA 1.583 59.758 58.100 0.126 0.000 1.135 60 Y CB -0.224 38.246 38.460 0.017 0.000 0.980 60 Y HN -0.060 nan 8.280 nan 0.000 0.499 61 L N -0.967 120.323 121.223 0.111 0.000 2.046 61 L HA -0.247 4.086 4.340 -0.011 0.000 0.208 61 L C 2.316 179.160 176.870 -0.043 0.000 1.077 61 L CA 1.845 56.606 54.840 -0.132 0.000 0.747 61 L CB -1.007 40.538 42.059 -0.857 0.000 0.896 61 L HN 0.250 nan 8.230 nan 0.000 0.432 62 T N -1.102 113.489 114.554 0.060 0.000 2.708 62 T HA -0.220 4.123 4.350 -0.011 0.000 0.266 62 T C 1.525 176.228 174.700 0.006 0.000 1.037 62 T CA 1.763 63.923 62.100 0.101 0.000 1.146 62 T CB -0.252 68.450 68.868 -0.278 0.000 0.865 62 T HN 0.341 nan 8.240 nan 0.000 0.435 63 D N 0.308 120.674 120.400 -0.057 0.000 2.117 63 D HA -0.120 4.514 4.640 -0.011 0.000 0.197 63 D C 1.783 177.807 176.300 -0.459 0.000 0.987 63 D CA 1.292 55.167 54.000 -0.208 0.000 0.829 63 D CB -0.119 40.551 40.800 -0.218 0.000 0.961 63 D HN 0.500 nan 8.370 nan 0.000 0.460 64 H N -2.229 116.519 119.070 -0.536 0.000 2.544 64 H HA 0.228 4.777 4.556 -0.011 0.000 0.269 64 H C -0.135 174.550 175.328 -1.072 0.000 0.970 64 H CA 0.543 56.055 56.048 -0.894 0.000 1.219 64 H CB 0.236 29.176 29.762 -1.370 0.000 1.421 64 H HN 0.072 nan 8.280 nan 0.000 0.555 65 F N 0.521 120.493 119.950 0.037 0.000 2.622 65 F HA 0.340 4.860 4.527 -0.011 0.000 0.338 65 F C -2.552 173.335 175.800 0.145 0.000 1.334 65 F CA -3.103 54.962 58.000 0.110 0.000 1.179 65 F CB 0.783 39.883 39.000 0.167 0.000 1.471 65 F HN -0.161 nan 8.300 nan 0.000 0.576 66 P HA 0.140 nan 4.420 nan 0.000 0.269 66 P C 0.059 177.408 177.300 0.083 0.000 1.215 66 P CA -0.136 63.017 63.100 0.087 0.000 0.780 66 P CB 0.742 32.461 31.700 0.032 0.000 0.898 67 A N 2.853 125.693 122.820 0.033 0.000 2.520 67 A HA 0.025 4.338 4.320 -0.011 0.000 0.235 67 A C 0.172 177.715 177.584 -0.069 0.000 1.065 67 A CA 0.303 52.330 52.037 -0.016 0.000 0.764 67 A CB -0.630 18.370 19.000 0.001 0.000 1.002 67 A HN 0.647 nan 8.150 nan 0.000 0.502 68 N N 0.717 119.283 118.700 -0.223 0.000 2.804 68 N HA 0.438 5.172 4.740 -0.011 0.000 0.251 68 N C -1.632 173.496 175.510 -0.637 0.000 1.250 68 N CA -0.283 52.381 53.050 -0.643 0.000 0.820 68 N CB 1.469 39.348 38.487 -1.013 0.000 1.156 68 N HN 0.348 nan 8.380 nan 0.000 0.512 69 V N 1.453 121.285 119.914 -0.136 0.000 2.577 69 V HA 0.202 4.315 4.120 -0.011 0.000 0.303 69 V C -0.209 176.030 176.094 0.242 0.000 1.042 69 V CA -0.968 61.346 62.300 0.023 0.000 0.872 69 V CB 1.732 33.456 31.823 -0.165 0.000 0.998 69 V HN 0.535 nan 8.190 nan 0.000 0.423 70 D N 2.652 123.242 120.400 0.317 0.000 2.433 70 D HA 0.171 4.804 4.640 -0.011 0.000 0.255 70 D C 0.906 177.277 176.300 0.118 0.000 1.226 70 D CA -0.531 53.598 54.000 0.215 0.000 1.015 70 D CB 0.788 41.659 40.800 0.118 0.000 1.091 70 D HN 0.496 nan 8.370 nan 0.000 0.527 71 E N -1.264 118.969 120.200 0.055 0.000 2.267 71 E HA -0.191 4.152 4.350 -0.011 0.000 0.197 71 E C 0.705 177.132 176.600 -0.287 0.000 0.998 71 E CA 1.238 57.587 56.400 -0.085 0.000 0.830 71 E CB -0.585 29.002 29.700 -0.188 0.000 0.751 71 E HN 0.499 nan 8.360 nan 0.000 0.491 72 Y N -0.464 119.718 120.300 -0.197 0.000 2.493 72 Y HA 0.309 4.853 4.550 -0.011 0.000 0.275 72 Y C 1.517 177.337 175.900 -0.132 0.000 1.183 72 Y CA 0.105 57.972 58.100 -0.388 0.000 1.258 72 Y CB 0.707 38.851 38.460 -0.526 0.000 1.108 72 Y HN 0.127 nan 8.280 nan 0.000 0.521 73 G N 0.931 109.812 108.800 0.136 0.000 2.148 73 G HA2 -0.333 3.620 3.960 -0.011 0.000 0.254 73 G HA3 -0.333 3.620 3.960 -0.011 0.000 0.254 73 G C 0.155 175.151 174.900 0.159 0.000 0.981 73 G CA -0.247 44.971 45.100 0.196 0.000 0.670 73 G HN 0.328 nan 8.290 nan 0.000 0.528 74 R N -0.144 120.447 120.500 0.152 0.000 2.357 74 R HA 0.572 4.905 4.340 -0.011 0.000 0.296 74 R C 0.764 177.202 176.300 0.230 0.000 1.052 74 R CA -0.011 56.188 56.100 0.165 0.000 0.988 74 R CB 1.807 32.021 30.300 -0.143 0.000 1.025 74 R HN 0.645 nan 8.270 nan 0.000 0.469 75 V N 2.080 122.148 119.914 0.257 0.000 2.743 75 V HA 0.671 4.784 4.120 -0.011 0.000 0.301 75 V C -0.706 175.549 176.094 0.269 0.000 1.057 75 V CA -0.284 62.102 62.300 0.144 0.000 1.006 75 V CB 0.746 32.599 31.823 0.049 0.000 1.024 75 V HN 0.846 nan 8.190 nan 0.000 0.473 76 Y N 1.822 122.192 120.300 0.117 0.000 2.896 76 Y HA 0.909 5.453 4.550 -0.011 0.000 0.317 76 Y C 0.864 176.821 175.900 0.095 0.000 1.444 76 Y CA -0.454 57.715 58.100 0.115 0.000 1.084 76 Y CB 0.374 38.897 38.460 0.106 0.000 1.382 76 Y HN 1.546 nan 8.280 nan 0.000 0.471 77 G N 1.672 110.666 108.800 0.323 0.000 2.660 77 G HA2 -0.489 3.464 3.960 -0.011 0.000 0.321 77 G HA3 -0.489 3.464 3.960 -0.011 0.000 0.321 77 G C 0.817 175.760 174.900 0.072 0.000 1.246 77 G CA 1.165 46.378 45.100 0.188 0.000 1.000 77 G HN 1.542 nan 8.290 nan 0.000 0.550 78 N N 2.053 120.775 118.700 0.037 0.000 2.520 78 N HA 0.222 4.956 4.740 -0.011 0.000 0.185 78 N C 1.688 177.220 175.510 0.037 0.000 1.068 78 N CA 1.226 54.319 53.050 0.071 0.000 0.911 78 N CB -0.168 38.413 38.487 0.156 0.000 0.961 78 N HN 2.226 nan 8.380 nan 0.000 0.446 79 G N 0.067 108.861 108.800 -0.010 0.000 2.147 79 G HA2 -0.249 3.704 3.960 -0.011 0.000 0.244 79 G HA3 -0.249 3.704 3.960 -0.011 0.000 0.244 79 G C -0.240 174.667 174.900 0.012 0.000 1.005 79 G CA 0.219 45.324 45.100 0.008 0.000 0.713 79 G HN 0.256 nan 8.290 nan 0.000 0.515 80 V N 0.494 120.401 119.914 -0.011 0.000 2.427 80 V HA 0.565 4.678 4.120 -0.011 0.000 0.286 80 V C 1.305 177.355 176.094 -0.073 0.000 1.034 80 V CA 0.009 62.297 62.300 -0.020 0.000 0.893 80 V CB 1.565 33.431 31.823 0.071 0.000 0.982 80 V HN 0.554 nan 8.190 nan 0.000 0.452 81 R N 2.013 122.460 120.500 -0.089 0.000 2.437 81 R HA 0.409 4.743 4.340 -0.011 0.000 0.257 81 R C 0.476 176.756 176.300 -0.032 0.000 0.927 81 R CA 0.012 56.083 56.100 -0.049 0.000 1.078 81 R CB 0.859 31.154 30.300 -0.010 0.000 1.161 81 R HN 0.610 nan 8.270 nan 0.000 0.529 82 T N 0.393 114.862 114.554 -0.140 0.000 2.677 82 T HA 0.152 4.495 4.350 -0.011 0.000 0.305 82 T C -1.614 172.894 174.700 -0.320 0.000 1.569 82 T CA -0.786 61.229 62.100 -0.142 0.000 0.984 82 T CB 0.962 69.776 68.868 -0.089 0.000 1.629 82 T HN 0.397 nan 8.240 nan 0.000 0.494 83 N N 0.198 118.745 118.700 -0.254 0.000 2.297 83 N HA 0.245 4.978 4.740 -0.011 0.000 0.232 83 N C -0.006 175.192 175.510 -0.520 0.000 1.311 83 N CA 0.055 52.877 53.050 -0.381 0.000 0.897 83 N CB -0.047 38.177 38.487 -0.439 0.000 1.137 83 N HN 0.481 nan 8.380 nan 0.000 0.449 84 F N -1.683 118.020 119.950 -0.412 0.000 2.639 84 F HA 0.370 4.890 4.527 -0.011 0.000 0.300 84 F C 0.545 176.286 175.800 -0.098 0.000 1.109 84 F CA -0.499 57.389 58.000 -0.187 0.000 1.335 84 F CB -0.414 38.525 39.000 -0.102 0.000 1.014 84 F HN 0.392 nan 8.300 nan 0.000 0.537 85 F N -0.443 119.600 119.950 0.155 0.000 2.604 85 F HA 0.022 4.542 4.527 -0.011 0.000 0.298 85 F C 2.382 178.170 175.800 -0.020 0.000 1.131 85 F CA 0.267 58.291 58.000 0.040 0.000 1.457 85 F CB -0.457 38.598 39.000 0.092 0.000 1.095 85 F HN 0.129 nan 8.300 nan 0.000 0.574 86 G N 1.304 110.229 108.800 0.209 0.000 2.527 86 G HA2 -0.264 3.689 3.960 -0.011 0.000 0.219 86 G HA3 -0.264 3.689 3.960 -0.011 0.000 0.219 86 G C 1.567 176.643 174.900 0.294 0.000 1.117 86 G CA 0.817 46.055 45.100 0.229 0.000 0.759 86 G HN 0.509 nan 8.290 nan 0.000 0.556 87 M N -0.786 118.938 119.600 0.207 0.000 2.595 87 M HA 0.296 4.769 4.480 -0.011 0.000 0.248 87 M C 1.198 177.558 176.300 0.100 0.000 1.119 87 M CA 0.371 55.800 55.300 0.216 0.000 1.079 87 M CB 0.155 32.872 32.600 0.195 0.000 1.472 87 M HN -0.122 nan 8.290 nan 0.000 0.501 88 R N 2.186 122.580 120.500 -0.177 0.000 4.860 88 R HA 0.192 4.525 4.340 -0.011 0.000 0.191 88 R C -0.772 175.240 176.300 -0.481 0.000 1.936 88 R CA 0.120 55.799 56.100 -0.701 0.000 1.609 88 R CB -0.635 28.975 30.300 -1.151 0.000 1.392 88 R HN 0.488 nan 8.270 nan 0.000 0.844 89 H N 0.707 119.865 119.070 0.146 0.000 2.690 89 H HA 0.247 4.797 4.556 -0.011 0.000 0.368 89 H C 0.292 175.829 175.328 0.348 0.000 1.150 89 H CA -0.931 55.270 56.048 0.256 0.000 1.174 89 H CB 1.914 31.795 29.762 0.198 0.000 1.684 89 H HN -0.006 nan 8.280 nan 0.000 0.538 90 M N 2.778 122.648 119.600 0.449 0.000 3.042 90 M HA 0.056 4.529 4.480 -0.011 0.000 0.283 90 M C -0.103 176.463 176.300 0.442 0.000 1.473 90 M CA -0.183 55.367 55.300 0.417 0.000 1.583 90 M CB -1.110 31.686 32.600 0.327 0.000 1.221 90 M HN 0.296 nan 8.290 nan 0.000 0.518 91 N N 2.254 121.169 118.700 0.358 0.000 2.411 91 N HA 0.153 4.887 4.740 -0.011 0.000 0.265 91 N C 1.284 176.851 175.510 0.095 0.000 1.266 91 N CA 0.916 54.100 53.050 0.223 0.000 0.889 91 N CB 0.868 39.475 38.487 0.200 0.000 1.069 91 N HN 0.935 nan 8.380 nan 0.000 0.476 92 G N 1.441 110.227 108.800 -0.024 0.000 2.284 92 G HA2 -0.205 3.748 3.960 -0.011 0.000 0.201 92 G HA3 -0.205 3.748 3.960 -0.011 0.000 0.201 92 G C -0.381 174.256 174.900 -0.439 0.000 0.998 92 G CA -0.605 44.328 45.100 -0.278 0.000 0.651 92 G HN 0.454 nan 8.290 nan 0.000 0.489 93 F N 3.567 123.544 119.950 0.045 0.000 2.375 93 F HA 0.522 5.042 4.527 -0.011 0.000 0.361 93 F C -1.726 174.144 175.800 0.117 0.000 1.117 93 F CA -2.182 55.869 58.000 0.085 0.000 1.037 93 F CB 2.372 41.444 39.000 0.120 0.000 1.192 93 F HN -0.121 nan 8.300 nan 0.000 0.452 94 P HA 0.221 nan 4.420 nan 0.000 0.279 94 P C -0.550 176.891 177.300 0.235 0.000 1.252 94 P CA -0.646 62.576 63.100 0.203 0.000 0.811 94 P CB 1.339 33.129 31.700 0.151 0.000 1.035 95 M N 0.699 120.390 119.600 0.153 0.000 2.232 95 M HA 0.404 4.877 4.480 -0.011 0.000 0.321 95 M C -0.429 175.927 176.300 0.093 0.000 1.101 95 M CA 0.575 55.948 55.300 0.122 0.000 1.181 95 M CB -0.077 32.562 32.600 0.065 0.000 1.432 95 M HN 0.061 nan 8.290 nan 0.000 0.457 96 I N 2.446 123.055 120.570 0.065 0.000 2.533 96 I HA 0.559 4.722 4.170 -0.011 0.000 0.290 96 I C -2.401 173.734 176.117 0.030 0.000 1.056 96 I CA -2.043 59.264 61.300 0.011 0.000 1.057 96 I CB 1.819 39.803 38.000 -0.027 0.000 1.240 96 I HN 0.643 nan 8.210 nan 0.000 0.423 97 P HA 0.483 nan 4.420 nan 0.000 0.285 97 P C -0.750 176.466 177.300 -0.140 0.000 1.285 97 P CA -0.444 62.625 63.100 -0.051 0.000 0.854 97 P CB 1.952 33.682 31.700 0.051 0.000 1.180 98 A N 0.587 123.248 122.820 -0.266 0.000 2.296 98 A HA 0.425 4.738 4.320 -0.011 0.000 0.264 98 A C 0.517 177.923 177.584 -0.298 0.000 1.097 98 A CA -0.079 51.723 52.037 -0.392 0.000 0.811 98 A CB -0.560 17.860 19.000 -0.967 0.000 1.072 98 A HN 0.535 nan 8.150 nan 0.000 0.495 99 T N -0.453 114.000 114.554 -0.169 0.000 2.904 99 T HA 0.352 4.696 4.350 -0.011 0.000 0.290 99 T C -0.763 173.993 174.700 0.093 0.000 1.018 99 T CA 0.022 62.109 62.100 -0.022 0.000 1.075 99 T CB -0.030 68.829 68.868 -0.015 0.000 0.986 99 T HN 0.383 nan 8.240 nan 0.000 0.523 100 W N 5.513 126.845 121.300 0.054 0.000 2.315 100 W HA 0.375 5.028 4.660 -0.012 0.000 0.316 100 W C -1.808 174.756 176.519 0.074 0.000 1.211 100 W CA -2.030 55.383 57.345 0.112 0.000 1.201 100 W CB 0.607 30.140 29.460 0.123 0.000 1.184 100 W HN 0.488 nan 8.180 nan 0.000 0.544 101 P HA 0.012 nan 4.420 nan 0.000 0.271 101 P C -0.554 176.831 177.300 0.142 0.000 1.220 101 P CA -0.307 62.872 63.100 0.131 0.000 0.768 101 P CB 1.067 32.796 31.700 0.049 0.000 0.848 102 L N 3.784 125.063 121.223 0.093 0.000 2.534 102 L HA 0.076 4.410 4.340 -0.011 0.000 0.271 102 L C 1.656 178.546 176.870 0.033 0.000 1.178 102 L CA 0.498 55.381 54.840 0.072 0.000 0.907 102 L CB -0.073 42.016 42.059 0.049 0.000 1.164 102 L HN 0.537 nan 8.230 nan 0.000 0.482 103 A N 3.061 125.889 122.820 0.015 0.000 2.014 103 A HA 0.071 4.384 4.320 -0.011 0.000 0.218 103 A C 1.069 178.648 177.584 -0.008 0.000 1.163 103 A CA 1.104 53.145 52.037 0.007 0.000 0.652 103 A CB -0.118 18.877 19.000 -0.010 0.000 0.808 103 A HN 0.637 nan 8.150 nan 0.000 0.449 104 S N -0.255 115.430 115.700 -0.025 0.000 2.619 104 S HA 0.395 4.858 4.470 -0.011 0.000 0.280 104 S C -0.241 174.341 174.600 -0.029 0.000 1.150 104 S CA -0.371 57.815 58.200 -0.023 0.000 0.978 104 S CB 0.810 63.990 63.200 -0.034 0.000 1.041 104 S HN 0.443 nan 8.310 nan 0.000 0.485 105 N N 5.620 124.311 118.700 -0.015 0.000 2.235 105 N HA 0.142 4.875 4.740 -0.011 0.000 0.209 105 N C 1.089 176.608 175.510 0.015 0.000 1.122 105 N CA -0.166 52.870 53.050 -0.023 0.000 0.845 105 N CB -0.346 38.118 38.487 -0.038 0.000 1.004 105 N HN 0.603 nan 8.380 nan 0.000 0.499 106 L N 0.248 121.482 121.223 0.019 0.000 2.017 106 L HA -0.095 4.238 4.340 -0.011 0.000 0.208 106 L C 2.565 179.463 176.870 0.047 0.000 1.073 106 L CA 1.447 56.314 54.840 0.046 0.000 0.745 106 L CB -0.364 41.715 42.059 0.034 0.000 0.894 106 L HN 0.262 nan 8.230 nan 0.000 0.432 107 K N 0.857 121.264 120.400 0.011 0.000 2.097 107 K HA -0.220 4.094 4.320 -0.011 0.000 0.205 107 K C 2.232 178.856 176.600 0.040 0.000 1.050 107 K CA 1.281 57.574 56.287 0.009 0.000 0.938 107 K CB 0.024 32.500 32.500 -0.040 0.000 0.718 107 K HN 0.100 nan 8.250 nan 0.000 0.442 108 K N 0.812 121.231 120.400 0.031 0.000 2.032 108 K HA -0.181 4.132 4.320 -0.011 0.000 0.209 108 K C 2.157 178.892 176.600 0.225 0.000 1.048 108 K CA 1.504 57.831 56.287 0.066 0.000 0.927 108 K CB -0.017 32.440 32.500 -0.072 0.000 0.712 108 K HN 0.132 nan 8.250 nan 0.000 0.441 109 R N -0.110 120.532 120.500 0.236 0.000 2.073 109 R HA -0.103 4.231 4.340 -0.011 0.000 0.234 109 R C 2.466 178.884 176.300 0.197 0.000 1.134 109 R CA 1.318 57.607 56.100 0.314 0.000 0.952 109 R CB -0.405 30.052 30.300 0.261 0.000 0.850 109 R HN 0.279 nan 8.270 nan 0.000 0.433 110 A N 1.544 124.445 122.820 0.135 0.000 1.877 110 A HA -0.198 4.115 4.320 -0.011 0.000 0.216 110 A C 1.548 179.182 177.584 0.083 0.000 1.186 110 A CA 1.881 53.972 52.037 0.090 0.000 0.620 110 A CB -0.435 18.602 19.000 0.061 0.000 0.822 110 A HN 0.186 nan 8.150 nan 0.000 0.443 111 D N -0.071 120.384 120.400 0.092 0.000 2.219 111 D HA 0.018 4.651 4.640 -0.011 0.000 0.205 111 D C 1.750 178.114 176.300 0.107 0.000 0.970 111 D CA 1.294 55.346 54.000 0.086 0.000 0.851 111 D CB -0.241 40.611 40.800 0.085 0.000 0.943 111 D HN 0.447 nan 8.370 nan 0.000 0.488 112 A N 0.027 122.938 122.820 0.151 0.000 2.278 112 A HA -0.001 4.312 4.320 -0.011 0.000 0.212 112 A C 0.388 178.003 177.584 0.051 0.000 1.213 112 A CA 0.088 52.202 52.037 0.127 0.000 0.840 112 A CB 0.089 19.209 19.000 0.200 0.000 0.866 112 A HN 0.017 nan 8.150 nan 0.000 0.489 113 D N -0.828 119.606 120.400 0.056 0.000 2.800 113 D HA -0.126 4.507 4.640 -0.011 0.000 0.232 113 D C -0.523 175.786 176.300 0.015 0.000 1.137 113 D CA 0.768 54.785 54.000 0.029 0.000 0.718 113 D CB -1.105 39.704 40.800 0.015 0.000 1.084 113 D HN 0.455 nan 8.370 nan 0.000 0.432 114 L N 0.069 121.318 121.223 0.043 0.000 2.334 114 L HA 0.661 4.995 4.340 -0.011 0.000 0.275 114 L C 1.084 178.015 176.870 0.102 0.000 1.036 114 L CA -0.773 54.102 54.840 0.057 0.000 0.807 114 L CB 1.532 43.633 42.059 0.071 0.000 1.231 114 L HN 0.013 nan 8.230 nan 0.000 0.438 115 A N 0.804 123.694 122.820 0.117 0.000 2.386 115 A HA 0.202 4.515 4.320 -0.011 0.000 0.248 115 A C 0.351 178.031 177.584 0.159 0.000 1.082 115 A CA -0.307 51.784 52.037 0.090 0.000 0.789 115 A CB 0.169 19.180 19.000 0.019 0.000 1.025 115 A HN 0.848 nan 8.150 nan 0.000 0.490 116 D N 0.084 120.457 120.400 -0.045 0.000 2.342 116 D HA 0.401 5.034 4.640 -0.011 0.000 0.221 116 D C 0.393 176.213 176.300 -0.801 0.000 1.101 116 D CA 0.646 54.576 54.000 -0.117 0.000 0.837 116 D CB -0.057 40.727 40.800 -0.028 0.000 0.938 116 D HN 0.884 nan 8.370 nan 0.000 0.508 117 G N -0.522 107.550 108.800 -1.214 0.000 2.328 117 G HA2 0.379 4.332 3.960 -0.011 0.000 0.295 117 G HA3 0.379 4.332 3.960 -0.011 0.000 0.295 117 G C -3.221 171.027 174.900 -1.086 0.000 1.413 117 G CA -1.160 42.927 45.100 -1.689 0.000 0.817 117 G HN -0.152 nan 8.290 nan 0.000 0.546 118 P HA 0.181 nan 4.420 nan 0.000 0.264 118 P C 1.397 178.673 177.300 -0.039 0.000 1.193 118 P CA -0.004 62.994 63.100 -0.171 0.000 0.763 118 P CB 1.129 32.806 31.700 -0.039 0.000 0.810 119 V N 1.188 121.186 119.914 0.140 0.000 2.488 119 V HA -0.029 4.085 4.120 -0.011 0.000 0.246 119 V C 0.712 176.806 176.094 -0.001 0.000 1.046 119 V CA 1.602 63.910 62.300 0.013 0.000 1.053 119 V CB -0.924 30.879 31.823 -0.034 0.000 0.679 119 V HN 0.588 nan 8.190 nan 0.000 0.458 120 S N -1.294 114.427 115.700 0.035 0.000 2.632 120 S HA 0.559 5.022 4.470 -0.011 0.000 0.289 120 S C 0.481 175.084 174.600 0.005 0.000 1.115 120 S CA 0.093 58.294 58.200 0.001 0.000 0.889 120 S CB 2.191 65.383 63.200 -0.014 0.000 1.116 120 S HN 0.212 nan 8.310 nan 0.000 0.486 121 E N 1.422 121.613 120.200 -0.015 0.000 2.118 121 E HA -0.185 4.158 4.350 -0.011 0.000 0.195 121 E C 1.991 178.579 176.600 -0.020 0.000 0.992 121 E CA 1.754 58.145 56.400 -0.015 0.000 0.804 121 E CB -0.229 29.457 29.700 -0.024 0.000 0.741 121 E HN 0.676 nan 8.360 nan 0.000 0.458 122 R N 0.199 120.676 120.500 -0.039 0.000 2.094 122 R HA -0.194 4.139 4.340 -0.011 0.000 0.239 122 R C 1.385 177.645 176.300 -0.068 0.000 1.137 122 R CA 2.137 58.195 56.100 -0.071 0.000 0.943 122 R CB -0.409 29.833 30.300 -0.097 0.000 0.850 122 R HN 0.190 nan 8.270 nan 0.000 0.433 123 D N 0.030 120.416 120.400 -0.024 0.000 2.117 123 D HA -0.161 4.472 4.640 -0.011 0.000 0.197 123 D C 1.590 177.924 176.300 0.056 0.000 0.987 123 D CA 1.284 55.272 54.000 -0.021 0.000 0.829 123 D CB -0.604 40.304 40.800 0.180 0.000 0.961 123 D HN 0.316 nan 8.370 nan 0.000 0.460 124 N N 0.331 119.099 118.700 0.113 0.000 2.104 124 N HA -0.110 4.623 4.740 -0.011 0.000 0.190 124 N C 1.739 177.309 175.510 0.100 0.000 1.024 124 N CA 0.854 53.993 53.050 0.149 0.000 0.853 124 N CB -0.286 38.238 38.487 0.061 0.000 1.008 124 N HN 0.145 nan 8.380 nan 0.000 0.424 125 L N -0.126 121.109 121.223 0.021 0.000 2.046 125 L HA -0.112 4.221 4.340 -0.011 0.000 0.208 125 L C 2.257 179.106 176.870 -0.034 0.000 1.077 125 L CA 0.772 55.608 54.840 -0.006 0.000 0.747 125 L CB -0.407 41.631 42.059 -0.036 0.000 0.896 125 L HN 0.243 nan 8.230 nan 0.000 0.432 126 L N -1.527 119.632 121.223 -0.106 0.000 2.056 126 L HA -0.196 4.137 4.340 -0.011 0.000 0.207 126 L C 2.492 179.258 176.870 -0.174 0.000 1.078 126 L CA 1.356 56.077 54.840 -0.199 0.000 0.749 126 L CB -0.497 41.373 42.059 -0.314 0.000 0.901 126 L HN 0.114 nan 8.230 nan 0.000 0.433 127 F N 0.080 120.024 119.950 -0.010 0.000 2.102 127 F HA -0.194 4.326 4.527 -0.011 0.000 0.298 127 F C 2.774 178.593 175.800 0.032 0.000 1.105 127 F CA 1.156 59.169 58.000 0.023 0.000 1.239 127 F CB -0.202 38.820 39.000 0.036 0.000 0.991 127 F HN -0.098 nan 8.300 nan 0.000 0.474 128 R N 0.005 120.624 120.500 0.198 0.000 2.092 128 R HA -0.095 4.238 4.340 -0.011 0.000 0.231 128 R C 2.408 178.752 176.300 0.072 0.000 1.119 128 R CA 1.024 57.193 56.100 0.115 0.000 0.970 128 R CB -0.660 29.687 30.300 0.079 0.000 0.864 128 R HN 0.263 nan 8.270 nan 0.000 0.440 129 A N 1.309 124.143 122.820 0.023 0.000 1.933 129 A HA -0.116 4.198 4.320 -0.011 0.000 0.218 129 A C 2.365 179.937 177.584 -0.021 0.000 1.175 129 A CA 1.637 53.661 52.037 -0.023 0.000 0.628 129 A CB -0.601 18.343 19.000 -0.093 0.000 0.814 129 A HN 0.388 nan 8.150 nan 0.000 0.444 130 A N -0.494 122.324 122.820 -0.004 0.000 1.902 130 A HA -0.024 4.289 4.320 -0.011 0.000 0.217 130 A C 2.211 179.983 177.584 0.314 0.000 1.181 130 A CA 1.846 53.965 52.037 0.136 0.000 0.623 130 A CB -0.894 18.281 19.000 0.293 0.000 0.818 130 A HN 0.410 nan 8.150 nan 0.000 0.443 131 V N 0.069 120.130 119.914 0.245 0.000 2.358 131 V HA -0.259 3.854 4.120 -0.011 0.000 0.246 131 V C 2.619 178.870 176.094 0.263 0.000 1.047 131 V CA 2.157 64.607 62.300 0.249 0.000 1.035 131 V CB -0.843 31.004 31.823 0.040 0.000 0.658 131 V HN 0.527 nan 8.190 nan 0.000 0.452 132 R N -0.210 120.391 120.500 0.168 0.000 2.081 132 R HA -0.058 4.275 4.340 -0.011 0.000 0.235 132 R C 2.288 178.720 176.300 0.219 0.000 1.131 132 R CA 1.315 57.512 56.100 0.161 0.000 0.960 132 R CB -0.415 29.945 30.300 0.101 0.000 0.856 132 R HN 0.419 nan 8.270 nan 0.000 0.436 133 L N 0.072 121.437 121.223 0.237 0.000 2.093 133 L HA -0.106 4.227 4.340 -0.011 0.000 0.208 133 L C 2.539 179.644 176.870 0.392 0.000 1.085 133 L CA 1.201 56.240 54.840 0.332 0.000 0.755 133 L CB -0.312 41.934 42.059 0.311 0.000 0.904 133 L HN 0.232 nan 8.230 nan 0.000 0.435 134 M N -1.269 118.553 119.600 0.370 0.000 2.200 134 M HA -0.106 4.368 4.480 -0.011 0.000 0.265 134 M C 1.177 177.429 176.300 -0.080 0.000 1.066 134 M CA 1.742 57.127 55.300 0.142 0.000 1.127 134 M CB 0.020 32.663 32.600 0.072 0.000 1.379 134 M HN 0.106 nan 8.290 nan 0.000 0.420 135 F N -0.597 119.392 119.950 0.065 0.000 2.639 135 F HA 0.137 4.657 4.527 -0.012 0.000 0.302 135 F C 2.119 178.001 175.800 0.138 0.000 1.097 135 F CA -0.162 57.867 58.000 0.048 0.000 1.294 135 F CB -0.439 38.483 39.000 -0.129 0.000 1.027 135 F HN 0.094 nan 8.300 nan 0.000 0.550 136 S N -1.099 114.748 115.700 0.245 0.000 2.315 136 S HA -0.018 4.445 4.470 -0.011 0.000 0.211 136 S C 0.651 175.307 174.600 0.094 0.000 1.029 136 S CA 0.680 58.989 58.200 0.180 0.000 0.956 136 S CB -0.259 63.034 63.200 0.155 0.000 0.918 136 S HN 0.148 nan 8.310 nan 0.000 0.470 137 D N 2.311 122.748 120.400 0.062 0.000 2.622 137 D HA 0.417 5.050 4.640 -0.011 0.000 0.262 137 D C -0.708 175.586 176.300 -0.010 0.000 1.189 137 D CA -0.043 53.966 54.000 0.016 0.000 0.985 137 D CB 0.363 41.171 40.800 0.014 0.000 0.994 137 D HN 0.354 nan 8.370 nan 0.000 0.513 138 L N 0.794 122.005 121.223 -0.021 0.000 2.395 138 L HA 0.237 4.570 4.340 -0.011 0.000 0.269 138 L C 0.877 177.718 176.870 -0.049 0.000 1.133 138 L CA -0.392 54.422 54.840 -0.043 0.000 0.812 138 L CB 0.937 42.967 42.059 -0.048 0.000 1.125 138 L HN -0.083 nan 8.230 nan 0.000 0.452 139 E N 2.412 122.585 120.200 -0.045 0.000 2.179 139 E HA 0.408 4.751 4.350 -0.011 0.000 0.275 139 E C -2.330 174.254 176.600 -0.027 0.000 0.945 139 E CA -2.098 54.280 56.400 -0.036 0.000 0.792 139 E CB 1.516 31.196 29.700 -0.033 0.000 1.125 139 E HN 0.279 nan 8.360 nan 0.000 0.397 140 P HA 0.123 nan 4.420 nan 0.000 0.272 140 P C -0.664 176.644 177.300 0.013 0.000 1.223 140 P CA -0.309 62.795 63.100 0.006 0.000 0.784 140 P CB 0.712 32.420 31.700 0.013 0.000 0.923 141 V N -1.076 118.857 119.914 0.031 0.000 3.147 141 V HA 0.658 4.771 4.120 -0.011 0.000 0.306 141 V C -2.941 173.184 176.094 0.052 0.000 1.209 141 V CA -3.012 59.306 62.300 0.029 0.000 1.023 141 V CB 1.420 33.253 31.823 0.017 0.000 1.059 141 V HN 0.235 nan 8.190 nan 0.000 0.435 142 P HA 0.281 nan 4.420 nan 0.000 0.268 142 P C -0.408 176.943 177.300 0.086 0.000 1.205 142 P CA -0.141 62.999 63.100 0.067 0.000 0.771 142 P CB 0.459 32.194 31.700 0.058 0.000 0.858 143 L N 3.737 125.018 121.223 0.096 0.000 2.385 143 L HA 0.136 4.469 4.340 -0.011 0.000 0.281 143 L C 0.221 177.176 176.870 0.142 0.000 1.106 143 L CA -0.233 54.675 54.840 0.114 0.000 0.856 143 L CB 0.046 42.158 42.059 0.089 0.000 1.186 143 L HN 0.171 nan 8.230 nan 0.000 0.453 144 K N 6.552 127.045 120.400 0.155 0.000 2.143 144 K HA 0.541 4.854 4.320 -0.011 0.000 0.272 144 K C -0.634 176.070 176.600 0.173 0.000 1.001 144 K CA -0.333 56.057 56.287 0.172 0.000 0.915 144 K CB 1.930 34.554 32.500 0.208 0.000 1.047 144 K HN 0.577 nan 8.250 nan 0.000 0.458 145 I N 1.987 122.648 120.570 0.151 0.000 2.498 145 I HA 0.282 4.445 4.170 -0.011 0.000 0.290 145 I C 0.144 176.282 176.117 0.034 0.000 1.032 145 I CA -1.229 60.131 61.300 0.099 0.000 1.073 145 I CB 2.015 40.069 38.000 0.091 0.000 1.251 145 I HN 0.345 nan 8.210 nan 0.000 0.426 146 R N 5.855 126.348 120.500 -0.012 0.000 2.449 146 R HA 0.136 4.469 4.340 -0.011 0.000 0.296 146 R C -0.478 175.788 176.300 -0.057 0.000 1.047 146 R CA 0.093 56.169 56.100 -0.039 0.000 1.018 146 R CB 0.394 30.669 30.300 -0.042 0.000 0.962 146 R HN 0.426 nan 8.270 nan 0.000 0.428 147 K N 3.174 123.552 120.400 -0.037 0.000 2.448 147 K HA 0.163 4.476 4.320 -0.011 0.000 0.278 147 K C 0.886 177.450 176.600 -0.061 0.000 1.009 147 K CA 0.867 57.135 56.287 -0.032 0.000 0.995 147 K CB 0.604 33.105 32.500 0.001 0.000 0.917 147 K HN 0.924 nan 8.250 nan 0.000 0.481 148 G N 1.434 110.194 108.800 -0.068 0.000 2.212 148 G HA2 -0.335 3.619 3.960 -0.011 0.000 0.266 148 G HA3 -0.335 3.619 3.960 -0.011 0.000 0.266 148 G C 0.196 175.041 174.900 -0.092 0.000 0.978 148 G CA 0.582 45.636 45.100 -0.076 0.000 0.632 148 G HN 0.724 nan 8.290 nan 0.000 0.537 149 S N -0.230 115.402 115.700 -0.113 0.000 2.576 149 S HA 0.624 5.087 4.470 -0.011 0.000 0.276 149 S C 0.457 174.964 174.600 -0.155 0.000 1.339 149 S CA 0.672 58.796 58.200 -0.128 0.000 1.039 149 S CB 1.882 64.989 63.200 -0.155 0.000 0.902 149 S HN 1.474 nan 8.310 nan 0.000 0.516 150 S N 0.901 116.527 115.700 -0.124 0.000 2.586 150 S HA 0.348 4.811 4.470 -0.011 0.000 0.274 150 S C 1.373 175.837 174.600 -0.227 0.000 1.281 150 S CA -0.119 58.003 58.200 -0.130 0.000 1.035 150 S CB 0.531 63.700 63.200 -0.052 0.000 0.962 150 S HN 0.993 nan 8.310 nan 0.000 0.512 151 T N 1.208 115.621 114.554 -0.235 0.000 3.113 151 T HA 0.147 4.490 4.350 -0.011 0.000 0.256 151 T C 1.316 175.848 174.700 -0.280 0.000 1.131 151 T CA 0.375 62.351 62.100 -0.207 0.000 1.074 151 T CB -1.461 67.390 68.868 -0.028 0.000 0.944 151 T HN 0.786 nan 8.240 nan 0.000 0.516 152 C N 0.260 119.205 119.300 -0.592 0.000 0.168 152 C HA -0.238 4.215 4.460 -0.011 0.000 0.017 152 C C 1.041 175.203 174.990 -1.379 0.000 0.171 152 C CA -0.764 57.529 59.018 -1.208 0.000 0.499 152 C CB -1.598 25.860 27.740 -0.470 0.000 3.212 152 C HN 0.739 nan 8.230 nan 0.000 1.118 153 I N 3.889 123.965 120.570 -0.822 0.000 2.683 153 I HA 0.112 4.275 4.170 -0.011 0.000 0.286 153 I C -0.884 175.044 176.117 -0.316 0.000 1.175 153 I CA -0.104 60.926 61.300 -0.451 0.000 1.429 153 I CB 0.669 38.516 38.000 -0.255 0.000 1.371 153 I HN 0.582 nan 8.210 nan 0.000 0.569 154 P HA 0.036 nan 4.420 nan 0.000 0.272 154 P C 0.756 177.948 177.300 -0.179 0.000 1.276 154 P CA 0.520 63.424 63.100 -0.326 0.000 0.871 154 P CB 0.351 31.808 31.700 -0.404 0.000 1.313 155 Y N -0.866 119.444 120.300 0.018 0.000 2.420 155 Y HA 0.234 4.773 4.550 -0.018 0.000 0.292 155 Y C 0.885 176.893 175.900 0.181 0.000 1.119 155 Y CA -0.148 58.004 58.100 0.087 0.000 1.229 155 Y CB -1.177 37.292 38.460 0.015 0.000 1.026 155 Y HN -0.283 nan 8.280 nan 0.000 0.554 156 F N 0.512 120.513 119.950 0.085 0.000 3.027 156 F HA -0.264 4.255 4.527 -0.014 0.000 0.276 156 F C 0.685 176.495 175.800 0.017 0.000 0.967 156 F CA 0.589 58.592 58.000 0.004 0.000 0.929 156 F CB -1.560 37.416 39.000 -0.039 0.000 0.873 156 F HN -0.005 nan 8.300 nan 0.000 0.787 157 S N -0.078 115.676 115.700 0.091 0.000 2.578 157 S HA 0.600 5.063 4.470 -0.011 0.000 0.283 157 S C 0.788 175.373 174.600 -0.025 0.000 1.195 157 S CA -0.315 57.910 58.200 0.042 0.000 1.050 157 S CB 1.118 64.330 63.200 0.019 0.000 1.012 157 S HN 0.325 nan 8.310 nan 0.000 0.511 158 N N 1.783 120.465 118.700 -0.029 0.000 2.159 158 N HA 0.188 4.921 4.740 -0.011 0.000 0.217 158 N C -1.253 174.218 175.510 -0.064 0.000 1.223 158 N CA -0.279 52.736 53.050 -0.058 0.000 0.896 158 N CB 0.456 38.921 38.487 -0.037 0.000 1.064 158 N HN 0.660 nan 8.380 nan 0.000 0.518 159 D N 0.447 120.813 120.400 -0.056 0.000 2.343 159 D HA 0.051 4.684 4.640 -0.011 0.000 0.255 159 D C 1.211 177.464 176.300 -0.080 0.000 1.187 159 D CA -0.234 53.730 54.000 -0.059 0.000 0.875 159 D CB 0.760 41.530 40.800 -0.050 0.000 1.136 159 D HN -0.118 nan 8.370 nan 0.000 0.469 160 M N 3.842 123.390 119.600 -0.087 0.000 2.159 160 M HA 0.046 4.520 4.480 -0.011 0.000 0.263 160 M C 1.805 178.022 176.300 -0.139 0.000 1.063 160 M CA 1.967 57.193 55.300 -0.123 0.000 1.110 160 M CB -0.648 31.867 32.600 -0.141 0.000 1.374 160 M HN 0.517 nan 8.290 nan 0.000 0.411 161 G N -1.630 107.102 108.800 -0.114 0.000 2.418 161 G HA2 -0.184 3.769 3.960 -0.011 0.000 0.217 161 G HA3 -0.184 3.769 3.960 -0.011 0.000 0.217 161 G C 1.428 176.283 174.900 -0.076 0.000 1.158 161 G CA 1.366 46.405 45.100 -0.101 0.000 0.771 161 G HN 0.499 nan 8.290 nan 0.000 0.545 162 T N 0.717 115.229 114.554 -0.070 0.000 2.812 162 T HA -0.013 4.331 4.350 -0.011 0.000 0.264 162 T C 2.325 177.011 174.700 -0.023 0.000 1.042 162 T CA 1.129 63.191 62.100 -0.063 0.000 1.140 162 T CB -0.097 68.725 68.868 -0.077 0.000 0.870 162 T HN 0.248 nan 8.240 nan 0.000 0.445 163 K N 0.640 121.022 120.400 -0.029 0.000 2.097 163 K HA -0.003 4.310 4.320 -0.011 0.000 0.206 163 K C 2.122 178.805 176.600 0.138 0.000 1.049 163 K CA 0.859 57.163 56.287 0.029 0.000 0.933 163 K CB -0.199 32.221 32.500 -0.132 0.000 0.717 163 K HN 0.263 nan 8.250 nan 0.000 0.442 164 I N 1.780 122.367 120.570 0.028 0.000 2.252 164 I HA -0.199 3.964 4.170 -0.011 0.000 0.245 164 I C 2.004 178.144 176.117 0.039 0.000 1.102 164 I CA 1.495 62.815 61.300 0.033 0.000 1.385 164 I CB -0.939 37.027 38.000 -0.057 0.000 1.064 164 I HN 0.222 nan 8.210 nan 0.000 0.414 165 E N 0.759 120.965 120.200 0.010 0.000 2.051 165 E HA -0.190 4.154 4.350 -0.011 0.000 0.192 165 E C 2.376 178.983 176.600 0.011 0.000 0.991 165 E CA 1.101 57.499 56.400 -0.003 0.000 0.799 165 E CB -0.092 29.589 29.700 -0.031 0.000 0.748 165 E HN 0.403 nan 8.360 nan 0.000 0.449 166 I N 1.127 121.727 120.570 0.050 0.000 2.163 166 I HA -0.310 3.854 4.170 -0.011 0.000 0.243 166 I C 2.517 178.632 176.117 -0.003 0.000 1.085 166 I CA 1.105 62.447 61.300 0.072 0.000 1.347 166 I CB -0.259 37.867 38.000 0.210 0.000 1.044 166 I HN 0.109 nan 8.210 nan 0.000 0.408 167 A N 0.185 123.020 122.820 0.025 0.000 1.898 167 A HA -0.215 4.099 4.320 -0.011 0.000 0.216 167 A C 2.193 179.707 177.584 -0.118 0.000 1.181 167 A CA 1.624 53.581 52.037 -0.134 0.000 0.620 167 A CB -0.538 18.465 19.000 0.005 0.000 0.819 167 A HN 0.450 nan 8.150 nan 0.000 0.442 168 E N -0.928 119.245 120.200 -0.046 0.000 2.072 168 E HA -0.204 4.139 4.350 -0.011 0.000 0.191 168 E C 2.292 178.858 176.600 -0.056 0.000 0.985 168 E CA 1.209 57.581 56.400 -0.046 0.000 0.801 168 E CB -0.145 29.548 29.700 -0.012 0.000 0.750 168 E HN 0.476 nan 8.360 nan 0.000 0.452 169 R N 1.434 121.908 120.500 -0.043 0.000 2.081 169 R HA -0.111 4.223 4.340 -0.011 0.000 0.235 169 R C 2.014 178.275 176.300 -0.065 0.000 1.131 169 R CA 1.723 57.802 56.100 -0.035 0.000 0.960 169 R CB -0.703 29.592 30.300 -0.008 0.000 0.856 169 R HN 0.143 nan 8.270 nan 0.000 0.436 170 A N 0.675 123.435 122.820 -0.099 0.000 1.877 170 A HA -0.098 4.215 4.320 -0.011 0.000 0.216 170 A C 2.277 179.759 177.584 -0.169 0.000 1.186 170 A CA 1.607 53.561 52.037 -0.138 0.000 0.620 170 A CB -0.709 18.166 19.000 -0.208 0.000 0.822 170 A HN 0.366 nan 8.150 nan 0.000 0.443 171 L N -0.801 120.276 121.223 -0.243 0.000 2.191 171 L HA -0.192 4.141 4.340 -0.011 0.000 0.212 171 L C 2.620 179.481 176.870 -0.014 0.000 1.103 171 L CA 1.752 56.391 54.840 -0.336 0.000 0.769 171 L CB -0.507 41.308 42.059 -0.407 0.000 0.908 171 L HN 0.621 nan 8.230 nan 0.000 0.438 172 E N 0.235 120.410 120.200 -0.043 0.000 2.112 172 E HA -0.146 4.197 4.350 -0.011 0.000 0.190 172 E C 1.445 177.985 176.600 -0.101 0.000 0.979 172 E CA 0.687 57.070 56.400 -0.027 0.000 0.814 172 E CB 0.398 30.079 29.700 -0.033 0.000 0.762 172 E HN 0.204 nan 8.360 nan 0.000 0.460 173 K N -0.247 120.052 120.400 -0.169 0.000 2.358 173 K HA 0.224 4.538 4.320 -0.011 0.000 0.197 173 K C 1.347 177.711 176.600 -0.394 0.000 1.025 173 K CA 0.470 56.540 56.287 -0.362 0.000 1.104 173 K CB 0.924 33.085 32.500 -0.564 0.000 0.855 173 K HN 0.090 nan 8.250 nan 0.000 0.531 174 A N 1.600 124.319 122.820 -0.169 0.000 1.908 174 A HA -0.239 4.075 4.320 -0.011 0.000 0.218 174 A C 2.204 179.667 177.584 -0.203 0.000 1.181 174 A CA 1.977 54.014 52.037 -0.000 0.000 0.627 174 A CB -0.349 18.905 19.000 0.423 0.000 0.818 174 A HN 0.457 nan 8.150 nan 0.000 0.445 175 E N -0.373 119.357 120.200 -0.783 0.000 2.058 175 E HA -0.277 4.067 4.350 -0.011 0.000 0.194 175 E C 2.048 178.250 176.600 -0.663 0.000 0.997 175 E CA 1.572 57.056 56.400 -1.528 0.000 0.801 175 E CB -0.203 28.528 29.700 -1.616 0.000 0.746 175 E HN 0.757 nan 8.360 nan 0.000 0.450 176 E N -0.429 119.503 120.200 -0.447 0.000 2.106 176 E HA -0.185 4.159 4.350 -0.011 0.000 0.192 176 E C 1.900 178.416 176.600 -0.139 0.000 0.984 176 E CA 0.902 57.149 56.400 -0.255 0.000 0.806 176 E CB -0.126 29.436 29.700 -0.231 0.000 0.750 176 E HN 0.359 nan 8.360 nan 0.000 0.458 177 A N 0.644 123.362 122.820 -0.170 0.000 1.898 177 A HA -0.043 4.270 4.320 -0.011 0.000 0.216 177 A C 2.383 179.993 177.584 0.043 0.000 1.181 177 A CA 1.520 53.559 52.037 0.003 0.000 0.620 177 A CB -0.997 18.008 19.000 0.009 0.000 0.819 177 A HN 0.432 nan 8.150 nan 0.000 0.442 178 G N -0.060 108.803 108.800 0.104 0.000 2.408 178 G HA2 -0.234 3.719 3.960 -0.011 0.000 0.217 178 G HA3 -0.234 3.719 3.960 -0.011 0.000 0.217 178 G C 1.393 176.381 174.900 0.146 0.000 1.150 178 G CA 0.961 46.189 45.100 0.214 0.000 0.776 178 G HN 0.516 nan 8.290 nan 0.000 0.542 179 N N 0.475 119.238 118.700 0.104 0.000 2.188 179 N HA -0.005 4.728 4.740 -0.011 0.000 0.184 179 N C 2.272 177.775 175.510 -0.012 0.000 1.018 179 N CA 0.499 53.586 53.050 0.061 0.000 0.858 179 N CB -0.249 38.251 38.487 0.021 0.000 0.989 179 N HN 0.283 nan 8.380 nan 0.000 0.426 180 L N 0.627 121.828 121.223 -0.037 0.000 2.046 180 L HA -0.106 4.228 4.340 -0.011 0.000 0.208 180 L C 2.380 179.120 176.870 -0.218 0.000 1.077 180 L CA 1.061 55.850 54.840 -0.085 0.000 0.747 180 L CB -0.297 41.735 42.059 -0.045 0.000 0.896 180 L HN 0.149 nan 8.230 nan 0.000 0.432 181 M N -0.794 118.642 119.600 -0.274 0.000 2.117 181 M HA -0.231 4.242 4.480 -0.011 0.000 0.262 181 M C 2.268 178.321 176.300 -0.413 0.000 1.065 181 M CA 1.664 56.582 55.300 -0.637 0.000 1.114 181 M CB -0.394 31.987 32.600 -0.366 0.000 1.361 181 M HN 0.233 nan 8.290 nan 0.000 0.408 182 L N -0.124 121.019 121.223 -0.134 0.000 2.187 182 L HA -0.232 4.101 4.340 -0.011 0.000 0.213 182 L C 1.912 178.750 176.870 -0.053 0.000 1.100 182 L CA 1.247 56.067 54.840 -0.032 0.000 0.765 182 L CB -0.487 41.596 42.059 0.040 0.000 0.904 182 L HN 0.425 nan 8.230 nan 0.000 0.437 183 Q N -0.667 119.072 119.800 -0.102 0.000 2.320 183 Q HA 0.134 4.468 4.340 -0.011 0.000 0.201 183 Q C 1.357 177.300 176.000 -0.096 0.000 0.910 183 Q CA 0.480 56.241 55.803 -0.070 0.000 0.946 183 Q CB 0.602 29.306 28.738 -0.056 0.000 1.062 183 Q HN 0.522 nan 8.270 nan 0.000 0.503 184 G N 1.699 110.377 108.800 -0.203 0.000 2.148 184 G HA2 -0.318 3.636 3.960 -0.011 0.000 0.254 184 G HA3 -0.318 3.636 3.960 -0.011 0.000 0.254 184 G C 0.120 174.906 174.900 -0.190 0.000 0.981 184 G CA 0.069 45.083 45.100 -0.143 0.000 0.670 184 G HN 0.268 nan 8.290 nan 0.000 0.528 185 K N 0.356 120.571 120.400 -0.308 0.000 2.535 185 K HA 0.460 4.773 4.320 -0.011 0.000 0.242 185 K C 0.962 177.442 176.600 -0.200 0.000 1.210 185 K CA -0.663 55.528 56.287 -0.160 0.000 1.178 185 K CB -0.238 32.206 32.500 -0.095 0.000 1.778 185 K HN 0.288 nan 8.250 nan 0.000 0.372 186 F N 0.591 120.564 119.950 0.039 0.000 2.186 186 F HA -0.184 4.336 4.527 -0.012 0.000 0.299 186 F C 1.806 177.641 175.800 0.059 0.000 1.090 186 F CA 1.017 59.042 58.000 0.042 0.000 1.307 186 F CB 0.054 39.063 39.000 0.016 0.000 1.019 186 F HN 0.324 nan 8.300 nan 0.000 0.489 187 D N 0.263 120.788 120.400 0.208 0.000 2.144 187 D HA -0.150 4.483 4.640 -0.011 0.000 0.199 187 D C 1.759 178.134 176.300 0.126 0.000 0.984 187 D CA 1.317 55.413 54.000 0.159 0.000 0.834 187 D CB -0.423 40.437 40.800 0.101 0.000 0.955 187 D HN 0.226 nan 8.370 nan 0.000 0.465 188 D N 0.517 120.957 120.400 0.066 0.000 2.097 188 D HA -0.082 4.551 4.640 -0.011 0.000 0.195 188 D C 2.036 178.344 176.300 0.014 0.000 0.989 188 D CA 1.229 55.239 54.000 0.016 0.000 0.827 188 D CB -0.343 40.454 40.800 -0.006 0.000 0.966 188 D HN 0.122 nan 8.370 nan 0.000 0.456 189 A N -0.025 122.831 122.820 0.060 0.000 1.933 189 A HA -0.220 4.093 4.320 -0.011 0.000 0.218 189 A C 2.168 179.825 177.584 0.121 0.000 1.175 189 A CA 1.282 53.385 52.037 0.112 0.000 0.628 189 A CB -0.872 18.189 19.000 0.101 0.000 0.814 189 A HN 0.354 nan 8.150 nan 0.000 0.444 190 Y N 0.248 120.556 120.300 0.014 0.000 2.206 190 Y HA -0.111 4.436 4.550 -0.005 0.000 0.292 190 Y C 2.444 178.304 175.900 -0.067 0.000 1.123 190 Y CA 1.987 60.074 58.100 -0.021 0.000 1.142 190 Y CB -0.462 37.983 38.460 -0.025 0.000 1.006 190 Y HN 0.415 nan 8.280 nan 0.000 0.518 191 Q N -0.087 119.618 119.800 -0.159 0.000 2.084 191 Q HA -0.150 4.183 4.340 -0.011 0.000 0.202 191 Q C 2.220 178.043 176.000 -0.296 0.000 0.978 191 Q CA 2.007 57.659 55.803 -0.252 0.000 0.844 191 Q CB -0.131 28.554 28.738 -0.088 0.000 0.898 191 Q HN 0.499 nan 8.270 nan 0.000 0.426 192 L N -0.813 120.216 121.223 -0.322 0.000 2.127 192 L HA -0.083 4.251 4.340 -0.011 0.000 0.203 192 L C 1.471 177.915 176.870 -0.711 0.000 1.080 192 L CA 0.751 55.259 54.840 -0.555 0.000 0.768 192 L CB -0.028 41.564 42.059 -0.777 0.000 0.924 192 L HN 0.326 nan 8.230 nan 0.000 0.444 193 H N -0.967 118.045 119.070 -0.097 0.000 2.785 193 H HA 0.205 4.759 4.556 -0.002 0.000 0.268 193 H C 0.091 175.357 175.328 -0.104 0.000 1.153 193 H CA -0.128 55.874 56.048 -0.077 0.000 1.111 193 H CB 0.739 30.473 29.762 -0.047 0.000 1.633 193 H HN 0.138 nan 8.280 nan 0.000 0.576 194 Q N 0.086 119.776 119.800 -0.184 0.000 2.480 194 Q HA -0.184 4.150 4.340 -0.011 0.000 0.265 194 Q C -0.295 175.712 176.000 0.011 0.000 1.072 194 Q CA 0.760 56.393 55.803 -0.284 0.000 1.018 194 Q CB -1.949 26.654 28.738 -0.225 0.000 1.433 194 Q HN 0.490 nan 8.270 nan 0.000 0.513 195 M N 0.003 119.669 119.600 0.110 0.000 2.055 195 M HA 0.560 5.033 4.480 -0.011 0.000 0.346 195 M C 0.829 177.254 176.300 0.208 0.000 1.074 195 M CA 0.328 55.705 55.300 0.129 0.000 1.009 195 M CB 1.144 33.807 32.600 0.106 0.000 1.423 195 M HN 0.411 nan 8.290 nan 0.000 0.410 196 G N 1.063 109.958 108.800 0.159 0.000 2.260 196 G HA2 0.361 4.314 3.960 -0.011 0.000 0.250 196 G HA3 0.361 4.314 3.960 -0.011 0.000 0.250 196 G C -0.121 174.679 174.900 -0.166 0.000 1.340 196 G CA -0.061 45.068 45.100 0.047 0.000 1.056 196 G HN 1.047 nan 8.290 nan 0.000 0.471 197 G N -0.501 107.996 108.800 -0.504 0.000 3.127 197 G HA2 0.431 4.385 3.960 -0.011 0.000 0.280 197 G HA3 0.431 4.385 3.960 -0.011 0.000 0.280 197 G C 0.789 175.461 174.900 -0.381 0.000 1.491 197 G CA 2.304 46.957 45.100 -0.745 0.000 1.029 197 G HN 2.975 nan 8.290 nan 0.000 0.582 198 A N -2.278 120.360 122.820 -0.303 0.000 2.540 198 A HA 0.699 5.012 4.320 -0.011 0.000 0.291 198 A C -1.305 176.149 177.584 -0.218 0.000 1.083 198 A CA -0.199 51.728 52.037 -0.183 0.000 0.650 198 A CB 0.242 19.231 19.000 -0.017 0.000 1.292 198 A HN 1.493 nan 8.150 nan 0.000 0.435 199 Y N -0.489 119.838 120.300 0.045 0.000 2.307 199 Y HA 0.494 5.039 4.550 -0.009 0.000 0.324 199 Y C -0.225 175.783 175.900 0.179 0.000 1.238 199 Y CA 0.578 58.722 58.100 0.074 0.000 1.280 199 Y CB 1.128 39.603 38.460 0.024 0.000 1.248 199 Y HN 0.620 nan 8.280 nan 0.000 0.508 200 Y N 2.260 122.709 120.300 0.248 0.000 2.342 200 Y HA 0.517 5.060 4.550 -0.011 0.000 0.338 200 Y C -0.881 175.138 175.900 0.199 0.000 0.965 200 Y CA -1.149 57.130 58.100 0.299 0.000 1.159 200 Y CB 0.515 39.194 38.460 0.364 0.000 1.157 200 Y HN 0.324 nan 8.280 nan 0.000 0.486 201 V N 7.940 127.673 119.914 -0.301 0.000 2.470 201 V HA 0.293 4.407 4.120 -0.011 0.000 0.276 201 V C -0.245 175.506 176.094 -0.571 0.000 1.040 201 V CA -0.306 61.745 62.300 -0.415 0.000 1.008 201 V CB 0.439 31.965 31.823 -0.495 0.000 0.990 201 V HN 0.626 nan 8.190 nan 0.000 0.477 202 V N 3.244 122.925 119.914 -0.388 0.000 2.540 202 V HA 0.611 4.724 4.120 -0.011 0.000 0.302 202 V C -1.099 174.800 176.094 -0.324 0.000 1.035 202 V CA -1.025 61.128 62.300 -0.244 0.000 0.873 202 V CB 1.414 33.270 31.823 0.056 0.000 0.992 202 V HN 0.586 nan 8.190 nan 0.000 0.428 203 Y N 3.744 124.016 120.300 -0.047 0.000 2.336 203 Y HA 0.646 5.189 4.550 -0.011 0.000 0.335 203 Y C 0.935 176.811 175.900 -0.040 0.000 1.046 203 Y CA -0.313 57.755 58.100 -0.053 0.000 1.198 203 Y CB 1.084 39.505 38.460 -0.065 0.000 1.182 203 Y HN 0.561 nan 8.280 nan 0.000 0.502 204 R N 1.890 122.441 120.500 0.085 0.000 2.664 204 R HA 0.761 5.094 4.340 -0.011 0.000 0.286 204 R C -0.587 175.686 176.300 -0.044 0.000 0.967 204 R CA -1.193 54.905 56.100 -0.003 0.000 0.933 204 R CB 1.750 32.044 30.300 -0.010 0.000 1.146 204 R HN 0.741 nan 8.270 nan 0.000 0.468 205 A N 2.015 124.756 122.820 -0.133 0.000 2.401 205 A HA 0.073 4.387 4.320 -0.011 0.000 0.259 205 A C -0.166 177.339 177.584 -0.132 0.000 1.103 205 A CA -0.135 51.825 52.037 -0.129 0.000 0.789 205 A CB 0.579 19.478 19.000 -0.168 0.000 1.035 205 A HN 0.509 nan 8.150 nan 0.000 0.491 206 Q N 2.189 121.924 119.800 -0.109 0.000 2.506 206 Q HA 0.195 4.528 4.340 -0.011 0.000 0.242 206 Q C 0.954 176.869 176.000 -0.142 0.000 1.060 206 Q CA 0.272 56.008 55.803 -0.112 0.000 0.826 206 Q CB 1.053 29.734 28.738 -0.095 0.000 1.169 206 Q HN 0.980 nan 8.270 nan 0.000 0.521 207 S N 1.415 117.043 115.700 -0.120 0.000 2.440 207 S HA -0.063 4.400 4.470 -0.011 0.000 0.238 207 S C 0.827 175.327 174.600 -0.166 0.000 1.010 207 S CA 1.083 59.221 58.200 -0.104 0.000 0.972 207 S CB -0.228 62.960 63.200 -0.021 0.000 0.774 207 S HN 0.605 nan 8.310 nan 0.000 0.501 208 T N -1.324 113.133 114.554 -0.161 0.000 2.893 208 T HA 0.712 5.055 4.350 -0.011 0.000 0.293 208 T C -1.526 173.081 174.700 -0.154 0.000 1.027 208 T CA -0.797 61.224 62.100 -0.131 0.000 0.988 208 T CB 2.242 71.148 68.868 0.063 0.000 1.043 208 T HN 0.083 nan 8.240 nan 0.000 0.461 209 D N 0.280 120.641 120.400 -0.065 0.000 2.609 209 D HA 0.582 5.215 4.640 -0.011 0.000 0.239 209 D C -0.437 175.945 176.300 0.137 0.000 1.229 209 D CA -0.433 53.569 54.000 0.004 0.000 0.808 209 D CB 2.110 42.867 40.800 -0.071 0.000 1.448 209 D HN 0.947 nan 8.370 nan 0.000 0.433 210 A N 1.534 124.391 122.820 0.063 0.000 2.565 210 A HA 0.460 4.773 4.320 -0.011 0.000 0.237 210 A C -0.042 177.567 177.584 0.043 0.000 1.053 210 A CA 0.500 52.573 52.037 0.060 0.000 0.755 210 A CB -0.154 18.860 19.000 0.023 0.000 0.980 210 A HN 0.471 nan 8.150 nan 0.000 0.506 211 I N 1.380 122.003 120.570 0.088 0.000 2.656 211 I HA 0.431 4.594 4.170 -0.011 0.000 0.292 211 I C 0.108 176.372 176.117 0.244 0.000 1.144 211 I CA -0.403 60.931 61.300 0.057 0.000 1.038 211 I CB 2.873 40.884 38.000 0.018 0.000 1.244 211 I HN 0.828 nan 8.210 nan 0.000 0.420 212 T N 2.788 117.452 114.554 0.183 0.000 2.916 212 T HA 0.719 5.063 4.350 -0.011 0.000 0.292 212 T C -1.058 173.694 174.700 0.086 0.000 1.064 212 T CA -0.796 61.442 62.100 0.230 0.000 1.011 212 T CB 2.227 71.159 68.868 0.107 0.000 1.152 212 T HN 0.332 nan 8.240 nan 0.000 0.510 213 L N 2.017 123.228 121.223 -0.020 0.000 2.298 213 L HA 0.502 4.836 4.340 -0.011 0.000 0.284 213 L C -0.532 176.215 176.870 -0.205 0.000 1.013 213 L CA -0.383 54.208 54.840 -0.415 0.000 0.824 213 L CB 1.096 42.779 42.059 -0.626 0.000 1.221 213 L HN 0.810 nan 8.230 nan 0.000 0.418 214 D N 6.960 127.237 120.400 -0.206 0.000 2.346 214 D HA 0.147 4.780 4.640 -0.011 0.000 0.260 214 D C -1.815 174.414 176.300 -0.119 0.000 1.252 214 D CA -1.745 52.186 54.000 -0.115 0.000 0.895 214 D CB 1.722 42.471 40.800 -0.085 0.000 1.097 214 D HN 0.402 nan 8.370 nan 0.000 0.489 215 P HA -0.184 nan 4.420 nan 0.000 0.215 215 P C 1.094 178.356 177.300 -0.062 0.000 1.157 215 P CA 1.608 64.668 63.100 -0.066 0.000 0.874 215 P CB 0.338 32.016 31.700 -0.037 0.000 0.790 216 K N -0.781 119.589 120.400 -0.050 0.000 1.978 216 K HA -0.134 4.179 4.320 -0.011 0.000 0.214 216 K C 2.215 178.786 176.600 -0.049 0.000 1.049 216 K CA 2.357 58.620 56.287 -0.041 0.000 0.939 216 K CB -1.274 31.207 32.500 -0.031 0.000 0.721 216 K HN 0.289 nan 8.250 nan 0.000 0.441 217 T N -2.590 111.930 114.554 -0.056 0.000 3.055 217 T HA 0.093 4.436 4.350 -0.011 0.000 0.265 217 T C 1.510 176.160 174.700 -0.084 0.000 1.111 217 T CA 0.718 62.784 62.100 -0.057 0.000 1.118 217 T CB -0.023 68.817 68.868 -0.046 0.000 0.909 217 T HN 0.455 nan 8.240 nan 0.000 0.501 218 G N 1.501 110.224 108.800 -0.129 0.000 2.166 218 G HA2 -0.234 3.720 3.960 -0.011 0.000 0.260 218 G HA3 -0.234 3.720 3.960 -0.011 0.000 0.260 218 G C 0.008 174.760 174.900 -0.247 0.000 0.986 218 G CA 0.283 45.272 45.100 -0.185 0.000 0.683 218 G HN 0.611 nan 8.290 nan 0.000 0.527 219 K N -0.413 119.867 120.400 -0.199 0.000 2.123 219 K HA 0.643 4.957 4.320 -0.011 0.000 0.259 219 K C 0.018 176.494 176.600 -0.208 0.000 0.960 219 K CA -0.791 55.417 56.287 -0.131 0.000 0.872 219 K CB 0.969 33.458 32.500 -0.018 0.000 1.079 219 K HN 0.062 nan 8.250 nan 0.000 0.440 220 F N 0.421 120.360 119.950 -0.020 0.000 2.371 220 F HA 0.275 4.795 4.527 -0.011 0.000 0.329 220 F C 0.489 176.360 175.800 0.119 0.000 1.107 220 F CA -0.525 57.473 58.000 -0.003 0.000 1.137 220 F CB 1.089 40.104 39.000 0.025 0.000 1.214 220 F HN -0.028 nan 8.300 nan 0.000 0.536 221 V N 1.863 121.882 119.914 0.176 0.000 2.525 221 V HA 0.322 4.435 4.120 -0.011 0.000 0.299 221 V C -0.632 175.306 176.094 -0.260 0.000 1.034 221 V CA -1.024 61.274 62.300 -0.003 0.000 0.863 221 V CB 1.739 33.559 31.823 -0.006 0.000 0.999 221 V HN 0.814 nan 8.190 nan 0.000 0.423 222 S N 3.599 118.917 115.700 -0.637 0.000 2.586 222 S HA 0.494 4.958 4.470 -0.011 0.000 0.274 222 S C -0.236 174.196 174.600 -0.280 0.000 1.281 222 S CA -0.705 57.083 58.200 -0.686 0.000 1.035 222 S CB 1.095 63.619 63.200 -1.126 0.000 0.962 222 S HN 0.731 nan 8.310 nan 0.000 0.512 223 K N 1.433 121.732 120.400 -0.167 0.000 2.447 223 K HA 0.026 4.339 4.320 -0.011 0.000 0.281 223 K C -0.817 175.739 176.600 -0.073 0.000 1.031 223 K CA -0.209 56.027 56.287 -0.085 0.000 1.019 223 K CB 0.072 32.544 32.500 -0.047 0.000 0.918 223 K HN 0.576 nan 8.250 nan 0.000 0.476 224 D N 3.644 124.013 120.400 -0.053 0.000 2.424 224 D HA 0.092 4.726 4.640 -0.011 0.000 0.244 224 D C -0.206 176.068 176.300 -0.044 0.000 1.134 224 D CA 0.295 54.271 54.000 -0.040 0.000 0.881 224 D CB 0.693 41.480 40.800 -0.022 0.000 1.191 224 D HN 0.283 nan 8.370 nan 0.000 0.445 225 R N 2.479 122.946 120.500 -0.055 0.000 2.360 225 R HA 0.312 4.645 4.340 -0.011 0.000 0.318 225 R C -0.140 176.091 176.300 -0.115 0.000 0.950 225 R CA -0.804 55.255 56.100 -0.070 0.000 0.837 225 R CB 1.149 31.411 30.300 -0.063 0.000 1.165 225 R HN 0.355 nan 8.270 nan 0.000 0.458 226 M N 3.129 122.655 119.600 -0.123 0.000 2.217 226 M HA 0.257 4.730 4.480 -0.011 0.000 0.354 226 M C 0.461 176.598 176.300 -0.272 0.000 1.225 226 M CA -0.557 54.626 55.300 -0.195 0.000 1.137 226 M CB 0.735 33.248 32.600 -0.143 0.000 1.576 226 M HN 0.344 nan 8.290 nan 0.000 0.461 227 V N -0.000 119.635 119.914 -0.465 0.000 2.962 227 V HA 1.008 5.121 4.120 -0.011 0.000 0.313 227 V C -0.508 175.267 176.094 -0.532 0.000 1.099 227 V CA -1.259 60.763 62.300 -0.463 0.000 0.971 227 V CB 1.581 33.102 31.823 -0.504 0.000 1.028 227 V HN 0.941 nan 8.190 nan 0.000 0.430 228 A N 2.460 125.109 122.820 -0.285 0.000 2.301 228 A HA 0.786 5.099 4.320 -0.011 0.000 0.312 228 A C -0.204 177.463 177.584 0.138 0.000 1.182 228 A CA -0.323 51.593 52.037 -0.202 0.000 0.826 228 A CB 0.502 19.410 19.000 -0.153 0.000 1.134 228 A HN 1.176 nan 8.150 nan 0.000 0.501 229 D N 0.852 121.405 120.400 0.254 0.000 2.451 229 D HA 0.173 4.807 4.640 -0.011 0.000 0.259 229 D C 0.814 177.080 176.300 -0.057 0.000 1.201 229 D CA -0.682 53.476 54.000 0.265 0.000 1.028 229 D CB 0.058 41.022 40.800 0.274 0.000 1.095 229 D HN 0.366 nan 8.370 nan 0.000 0.539 230 F N 0.265 119.791 119.950 -0.707 0.000 2.091 230 F HA -0.235 4.285 4.527 -0.012 0.000 0.299 230 F C 2.038 177.598 175.800 -0.401 0.000 1.103 230 F CA 1.742 59.123 58.000 -1.031 0.000 1.228 230 F CB 0.043 38.240 39.000 -1.339 0.000 0.984 230 F HN 0.196 nan 8.300 nan 0.000 0.477 231 E N -0.343 119.658 120.200 -0.332 0.000 2.077 231 E HA -0.278 4.065 4.350 -0.011 0.000 0.193 231 E C 2.062 178.528 176.600 -0.224 0.000 0.989 231 E CA 1.652 57.867 56.400 -0.308 0.000 0.800 231 E CB -0.998 28.660 29.700 -0.071 0.000 0.746 231 E HN 0.676 nan 8.360 nan 0.000 0.452 232 Y N 1.028 121.212 120.300 -0.193 0.000 2.145 232 Y HA -0.242 4.302 4.550 -0.011 0.000 0.286 232 Y C 2.299 178.106 175.900 -0.155 0.000 1.145 232 Y CA 1.846 59.875 58.100 -0.119 0.000 1.148 232 Y CB -0.213 38.232 38.460 -0.024 0.000 0.981 232 Y HN 0.046 nan 8.280 nan 0.000 0.507 233 A N -0.291 122.576 122.820 0.077 0.000 1.908 233 A HA -0.217 4.097 4.320 -0.011 0.000 0.218 233 A C 2.091 179.579 177.584 -0.160 0.000 1.181 233 A CA 2.414 54.462 52.037 0.020 0.000 0.627 233 A CB -1.492 17.563 19.000 0.091 0.000 0.818 233 A HN 0.547 nan 8.150 nan 0.000 0.445 234 V N -2.740 116.934 119.914 -0.399 0.000 3.623 234 V HA 0.078 4.192 4.120 -0.011 0.000 0.271 234 V C 1.413 177.344 176.094 -0.270 0.000 1.248 234 V CA 1.593 63.668 62.300 -0.375 0.000 1.156 234 V CB -0.972 30.487 31.823 -0.607 0.000 0.870 234 V HN 0.649 nan 8.190 nan 0.000 0.453 235 T N -3.408 110.987 114.554 -0.266 0.000 3.228 235 T HA 0.480 4.824 4.350 -0.011 0.000 0.278 235 T C 1.464 176.020 174.700 -0.241 0.000 1.014 235 T CA 0.449 62.414 62.100 -0.226 0.000 0.904 235 T CB 0.043 68.777 68.868 -0.224 0.000 1.110 235 T HN 1.385 nan 8.240 nan 0.000 0.541 236 G N 0.918 109.582 108.800 -0.225 0.000 2.233 236 G HA2 0.042 3.995 3.960 -0.011 0.000 0.270 236 G HA3 0.042 3.995 3.960 -0.011 0.000 0.270 236 G C 1.144 175.803 174.900 -0.402 0.000 1.011 236 G CA 0.475 45.445 45.100 -0.217 0.000 0.762 236 G HN 1.904 nan 8.290 nan 0.000 0.511 237 G N -1.386 106.959 108.800 -0.759 0.000 2.175 237 G HA2 -0.261 3.692 3.960 -0.011 0.000 0.244 237 G HA3 -0.261 3.692 3.960 -0.011 0.000 0.244 237 G C 0.792 175.268 174.900 -0.708 0.000 0.982 237 G CA 1.152 45.358 45.100 -1.490 0.000 0.641 237 G HN 0.742 nan 8.290 nan 0.000 0.527 238 E N -0.136 119.825 120.200 -0.398 0.000 2.152 238 E HA 0.009 4.352 4.350 -0.011 0.000 0.192 238 E C 1.535 178.036 176.600 -0.164 0.000 0.983 238 E CA 1.090 57.360 56.400 -0.217 0.000 0.818 238 E CB 0.059 29.666 29.700 -0.154 0.000 0.758 238 E HN 0.746 nan 8.360 nan 0.000 0.467 239 Q N -1.328 118.363 119.800 -0.181 0.000 3.017 239 Q HA 0.499 4.832 4.340 -0.011 0.000 0.299 239 Q C 0.255 176.236 176.000 -0.033 0.000 1.046 239 Q CA -0.475 55.276 55.803 -0.088 0.000 0.821 239 Q CB 1.807 30.497 28.738 -0.081 0.000 1.481 239 Q HN 0.171 nan 8.270 nan 0.000 0.494 240 G N 0.951 109.768 108.800 0.029 0.000 2.645 240 G HA2 -0.205 3.749 3.960 -0.011 0.000 0.239 240 G HA3 -0.205 3.749 3.960 -0.011 0.000 0.239 240 G C -0.555 174.480 174.900 0.224 0.000 1.331 240 G CA -0.153 45.011 45.100 0.107 0.000 0.890 240 G HN 1.071 nan 8.290 nan 0.000 0.572 241 S N -1.768 114.095 115.700 0.271 0.000 2.588 241 S HA 0.713 5.176 4.470 -0.011 0.000 0.275 241 S C -1.175 173.496 174.600 0.119 0.000 1.130 241 S CA -0.449 57.898 58.200 0.246 0.000 0.855 241 S CB 2.316 65.593 63.200 0.129 0.000 1.116 241 S HN 1.828 nan 8.310 nan 0.000 0.472 242 L N 2.704 123.930 121.223 0.005 0.000 2.316 242 L HA 0.799 5.133 4.340 -0.011 0.000 0.280 242 L C -1.426 175.495 176.870 0.085 0.000 1.006 242 L CA -0.499 54.212 54.840 -0.215 0.000 0.836 242 L CB 0.377 42.191 42.059 -0.409 0.000 1.221 242 L HN 0.770 nan 8.230 nan 0.000 0.418 243 F N 3.113 122.992 119.950 -0.119 0.000 2.640 243 F HA 0.943 5.463 4.527 -0.011 0.000 0.324 243 F C -0.178 175.594 175.800 -0.047 0.000 1.077 243 F CA -1.474 56.490 58.000 -0.060 0.000 0.965 243 F CB 0.750 39.729 39.000 -0.036 0.000 1.351 243 F HN 0.476 nan 8.300 nan 0.000 0.487 244 A N 1.414 124.267 122.820 0.055 0.000 2.404 244 A HA 0.678 4.991 4.320 -0.011 0.000 0.273 244 A C 0.295 177.862 177.584 -0.028 0.000 1.144 244 A CA -0.044 51.973 52.037 -0.033 0.000 0.806 244 A CB -0.754 18.265 19.000 0.032 0.000 1.080 244 A HN 1.380 nan 8.150 nan 0.000 0.509 245 A N 2.537 125.272 122.820 -0.142 0.000 2.406 245 A HA 0.492 4.805 4.320 -0.011 0.000 0.243 245 A C 0.852 178.456 177.584 0.034 0.000 1.082 245 A CA 0.414 52.405 52.037 -0.077 0.000 0.786 245 A CB 0.107 19.038 19.000 -0.115 0.000 1.029 245 A HN 1.399 nan 8.150 nan 0.000 0.495 246 S N -0.241 115.505 115.700 0.076 0.000 2.422 246 S HA 0.302 4.766 4.470 -0.011 0.000 0.298 246 S C 0.568 175.239 174.600 0.119 0.000 1.118 246 S CA -0.580 57.679 58.200 0.099 0.000 1.083 246 S CB 0.212 63.473 63.200 0.102 0.000 0.971 246 S HN 0.588 nan 8.310 nan 0.000 0.478 247 K N 2.567 123.057 120.400 0.150 0.000 2.374 247 K HA 0.086 4.400 4.320 -0.011 0.000 0.196 247 K C -0.020 176.772 176.600 0.321 0.000 1.023 247 K CA -0.181 56.243 56.287 0.228 0.000 1.103 247 K CB 0.128 32.751 32.500 0.206 0.000 0.848 247 K HN 0.582 nan 8.250 nan 0.000 0.528 248 D N 1.026 121.574 120.400 0.247 0.000 2.520 248 D HA -0.063 4.570 4.640 -0.011 0.000 0.243 248 D C 0.362 176.725 176.300 0.104 0.000 1.160 248 D CA 0.112 54.223 54.000 0.185 0.000 0.877 248 D CB 1.035 41.906 40.800 0.119 0.000 1.150 248 D HN 0.222 nan 8.370 nan 0.000 0.494 249 A N 3.110 125.944 122.820 0.024 0.000 2.387 249 A HA 0.074 4.387 4.320 -0.011 0.000 0.234 249 A C 2.116 179.662 177.584 -0.063 0.000 1.253 249 A CA -0.044 51.983 52.037 -0.016 0.000 0.894 249 A CB 0.097 19.074 19.000 -0.038 0.000 0.963 249 A HN 0.508 nan 8.150 nan 0.000 0.508 250 S N 1.090 116.757 115.700 -0.056 0.000 2.374 250 S HA -0.262 4.202 4.470 -0.011 0.000 0.227 250 S C 2.155 176.719 174.600 -0.059 0.000 1.037 250 S CA 1.798 59.961 58.200 -0.061 0.000 1.024 250 S CB -0.398 62.776 63.200 -0.042 0.000 0.861 250 S HN 0.880 nan 8.310 nan 0.000 0.456 251 R N 1.575 122.049 120.500 -0.043 0.000 2.170 251 R HA -0.096 4.238 4.340 -0.011 0.000 0.242 251 R C 1.860 178.107 176.300 -0.088 0.000 1.145 251 R CA 1.443 57.510 56.100 -0.055 0.000 0.984 251 R CB -0.924 29.362 30.300 -0.024 0.000 0.869 251 R HN 0.361 nan 8.270 nan 0.000 0.455 252 L N 0.595 121.766 121.223 -0.086 0.000 2.191 252 L HA -0.093 4.240 4.340 -0.011 0.000 0.212 252 L C 2.589 179.424 176.870 -0.058 0.000 1.103 252 L CA 1.265 56.060 54.840 -0.075 0.000 0.769 252 L CB -0.484 41.419 42.059 -0.260 0.000 0.908 252 L HN 0.186 nan 8.230 nan 0.000 0.438 253 K N 1.061 121.415 120.400 -0.078 0.000 1.973 253 K HA -0.211 4.102 4.320 -0.011 0.000 0.210 253 K C 1.996 178.556 176.600 -0.067 0.000 1.045 253 K CA 1.712 57.962 56.287 -0.061 0.000 0.937 253 K CB -0.360 32.102 32.500 -0.064 0.000 0.721 253 K HN 0.231 nan 8.250 nan 0.000 0.438 254 E N 0.201 120.352 120.200 -0.082 0.000 2.065 254 E HA -0.317 4.026 4.350 -0.011 0.000 0.201 254 E C 2.000 178.515 176.600 -0.142 0.000 1.016 254 E CA 1.977 58.322 56.400 -0.092 0.000 0.818 254 E CB -0.084 29.564 29.700 -0.086 0.000 0.749 254 E HN 0.508 nan 8.360 nan 0.000 0.453 255 Q N -1.546 118.108 119.800 -0.243 0.000 2.137 255 Q HA -0.116 4.218 4.340 -0.011 0.000 0.198 255 Q C 1.046 176.711 176.000 -0.560 0.000 0.960 255 Q CA 1.253 56.765 55.803 -0.485 0.000 0.847 255 Q CB 0.196 28.422 28.738 -0.853 0.000 0.915 255 Q HN 0.452 nan 8.270 nan 0.000 0.448 256 Y N -1.763 118.533 120.300 -0.008 0.000 2.527 256 Y HA 0.353 4.896 4.550 -0.011 0.000 0.247 256 Y C 1.080 176.978 175.900 -0.004 0.000 1.138 256 Y CA 0.007 58.115 58.100 0.014 0.000 1.228 256 Y CB 1.071 39.556 38.460 0.041 0.000 1.252 256 Y HN 0.125 nan 8.280 nan 0.000 0.531 257 G N 1.394 110.238 108.800 0.072 0.000 2.179 257 G HA2 -0.310 3.643 3.960 -0.011 0.000 0.257 257 G HA3 -0.310 3.643 3.960 -0.011 0.000 0.257 257 G C -0.034 174.886 174.900 0.032 0.000 1.010 257 G CA 0.194 45.317 45.100 0.038 0.000 0.736 257 G HN 0.349 nan 8.290 nan 0.000 0.513 258 I N 0.719 121.308 120.570 0.031 0.000 2.342 258 I HA 0.265 4.429 4.170 -0.011 0.000 0.291 258 I C 0.450 176.531 176.117 -0.059 0.000 1.010 258 I CA -0.675 60.617 61.300 -0.013 0.000 1.308 258 I CB 1.200 39.174 38.000 -0.044 0.000 1.400 258 I HN 0.184 nan 8.210 nan 0.000 0.488 259 D N 5.875 126.232 120.400 -0.071 0.000 2.390 259 D HA 0.216 4.849 4.640 -0.011 0.000 0.249 259 D C -0.868 175.349 176.300 -0.139 0.000 1.144 259 D CA -0.014 53.928 54.000 -0.096 0.000 0.880 259 D CB 1.026 41.768 40.800 -0.098 0.000 1.182 259 D HN 0.122 nan 8.370 nan 0.000 0.451 260 V N 5.925 125.755 119.914 -0.140 0.000 2.313 260 V HA 0.356 4.470 4.120 -0.011 0.000 0.278 260 V C -1.872 174.119 176.094 -0.171 0.000 1.017 260 V CA -1.438 60.759 62.300 -0.170 0.000 0.823 260 V CB 0.927 32.667 31.823 -0.138 0.000 1.010 260 V HN 0.656 nan 8.190 nan 0.000 0.443 261 P HA 0.163 nan 4.420 nan 0.000 0.272 261 P C -0.365 176.925 177.300 -0.016 0.000 1.230 261 P CA -0.352 62.649 63.100 -0.164 0.000 0.788 261 P CB 0.471 31.981 31.700 -0.316 0.000 0.949 262 D N 0.590 120.995 120.400 0.009 0.000 2.525 262 D HA 0.235 4.869 4.640 -0.011 0.000 0.235 262 D C 1.158 177.461 176.300 0.006 0.000 1.137 262 D CA 1.558 55.566 54.000 0.012 0.000 0.868 262 D CB -0.212 40.622 40.800 0.056 0.000 1.180 262 D HN 0.664 nan 8.370 nan 0.000 0.465 263 G N 2.135 110.833 108.800 -0.171 0.000 2.160 263 G HA2 -0.250 3.704 3.960 -0.011 0.000 0.251 263 G HA3 -0.250 3.704 3.960 -0.011 0.000 0.251 263 G C -0.115 174.288 174.900 -0.827 0.000 1.008 263 G CA 0.032 44.845 45.100 -0.478 0.000 0.724 263 G HN 0.371 nan 8.290 nan 0.000 0.514 264 F N -0.479 119.006 119.950 -0.775 0.000 2.482 264 F HA 0.811 5.331 4.527 -0.011 0.000 0.331 264 F C 0.245 175.603 175.800 -0.736 0.000 1.115 264 F CA -1.214 56.456 58.000 -0.551 0.000 0.955 264 F CB 1.397 40.213 39.000 -0.307 0.000 1.136 264 F HN -0.016 nan 8.300 nan 0.000 0.452 265 F N 0.538 120.452 119.950 -0.061 0.000 2.631 265 F HA 0.596 5.117 4.527 -0.011 0.000 0.328 265 F C 0.011 175.932 175.800 0.202 0.000 1.067 265 F CA -1.286 56.739 58.000 0.041 0.000 0.969 265 F CB 0.681 39.674 39.000 -0.011 0.000 1.332 265 F HN 0.272 nan 8.300 nan 0.000 0.490 266 C N 0.863 120.414 119.300 0.418 0.000 2.595 266 C HA 0.264 4.718 4.460 -0.011 0.000 0.384 266 C C 0.377 175.599 174.990 0.385 0.000 1.289 266 C CA -0.732 58.506 59.018 0.366 0.000 2.372 266 C CB -0.123 27.792 27.740 0.291 0.000 2.593 266 C HN 0.672 nan 8.230 nan 0.000 0.639 267 E N 0.676 121.033 120.200 0.263 0.000 2.343 267 E HA 0.214 4.557 4.350 -0.011 0.000 0.269 267 E C 0.095 176.714 176.600 0.032 0.000 1.047 267 E CA -0.337 56.114 56.400 0.085 0.000 0.874 267 E CB 0.603 30.315 29.700 0.020 0.000 1.033 267 E HN 0.476 nan 8.360 nan 0.000 0.409 268 R N 2.445 122.909 120.500 -0.060 0.000 2.537 268 R HA 0.074 4.408 4.340 -0.011 0.000 0.280 268 R C -0.393 175.884 176.300 -0.038 0.000 1.058 268 R CA 0.132 56.204 56.100 -0.046 0.000 1.057 268 R CB 0.537 30.790 30.300 -0.079 0.000 0.973 268 R HN 0.415 nan 8.270 nan 0.000 0.438 269 R N 3.902 124.389 120.500 -0.020 0.000 2.562 269 R HA 0.388 4.722 4.340 -0.011 0.000 0.298 269 R C -0.565 175.757 176.300 0.036 0.000 0.961 269 R CA -0.848 55.255 56.100 0.006 0.000 0.881 269 R CB 2.027 32.321 30.300 -0.009 0.000 1.159 269 R HN 0.688 nan 8.270 nan 0.000 0.450 270 R N 0.293 120.835 120.500 0.070 0.000 2.778 270 R HA 0.307 4.641 4.340 -0.011 0.000 0.277 270 R C -0.138 176.238 176.300 0.127 0.000 0.977 270 R CA -0.785 55.359 56.100 0.072 0.000 0.950 270 R CB 1.990 32.295 30.300 0.009 0.000 1.165 270 R HN 0.617 nan 8.270 nan 0.000 0.474 271 T N -0.934 113.666 114.554 0.077 0.000 2.897 271 T HA 0.631 4.974 4.350 -0.011 0.000 0.294 271 T C -0.027 174.597 174.700 -0.126 0.000 1.004 271 T CA -0.629 61.411 62.100 -0.100 0.000 1.106 271 T CB 1.453 70.257 68.868 -0.107 0.000 0.949 271 T HN 0.641 nan 8.240 nan 0.000 0.520 272 A N 4.054 126.757 122.820 -0.194 0.000 2.498 272 A HA 0.793 5.106 4.320 -0.011 0.000 0.298 272 A C -0.479 177.030 177.584 -0.125 0.000 1.075 272 A CA -1.158 50.813 52.037 -0.110 0.000 0.714 272 A CB 1.630 20.606 19.000 -0.039 0.000 1.299 272 A HN 0.878 nan 8.150 nan 0.000 0.407 273 M N 1.767 121.322 119.600 -0.075 0.000 2.326 273 M HA 0.452 4.925 4.480 -0.011 0.000 0.306 273 M C 0.128 176.511 176.300 0.139 0.000 1.054 273 M CA -0.385 54.913 55.300 -0.005 0.000 0.922 273 M CB 1.999 34.502 32.600 -0.161 0.000 1.632 273 M HN 0.878 nan 8.290 nan 0.000 0.436 274 G N 1.468 110.426 108.800 0.263 0.000 2.322 274 G HA2 0.601 4.554 3.960 -0.011 0.000 0.309 274 G HA3 0.601 4.554 3.960 -0.011 0.000 0.309 274 G C 0.030 175.120 174.900 0.316 0.000 1.121 274 G CA -0.429 44.825 45.100 0.256 0.000 0.886 274 G HN 0.858 nan 8.290 nan 0.000 0.447 275 G N 2.203 111.175 108.800 0.287 0.000 2.507 275 G HA2 0.591 4.545 3.960 -0.011 0.000 0.271 275 G HA3 0.591 4.545 3.960 -0.011 0.000 0.271 275 G C -2.338 172.549 174.900 -0.022 0.000 1.189 275 G CA -1.195 43.984 45.100 0.132 0.000 0.859 275 G HN 0.485 nan 8.290 nan 0.000 0.542 276 P HA 0.036 nan 4.420 nan 0.000 0.275 276 P C 0.380 177.688 177.300 0.013 0.000 1.276 276 P CA -0.402 62.633 63.100 -0.109 0.000 0.782 276 P CB 0.855 32.467 31.700 -0.147 0.000 0.851 277 F N 5.021 124.912 119.950 -0.099 0.000 2.192 277 F HA -0.236 4.284 4.527 -0.012 0.000 0.301 277 F C 2.211 178.000 175.800 -0.018 0.000 1.079 277 F CA 1.888 59.862 58.000 -0.045 0.000 1.303 277 F CB -0.780 38.196 39.000 -0.040 0.000 1.024 277 F HN 0.381 nan 8.300 nan 0.000 0.494 278 A N -0.207 122.554 122.820 -0.099 0.000 1.933 278 A HA -0.159 4.155 4.320 -0.011 0.000 0.218 278 A C 2.109 179.597 177.584 -0.159 0.000 1.175 278 A CA 1.707 53.644 52.037 -0.167 0.000 0.628 278 A CB -1.087 17.893 19.000 -0.033 0.000 0.814 278 A HN 0.454 nan 8.150 nan 0.000 0.444 279 L N 0.136 121.302 121.223 -0.094 0.000 2.131 279 L HA -0.022 4.312 4.340 -0.011 0.000 0.206 279 L C 1.744 178.571 176.870 -0.072 0.000 1.087 279 L CA 2.140 56.943 54.840 -0.062 0.000 0.767 279 L CB -0.848 41.176 42.059 -0.058 0.000 0.917 279 L HN 0.449 nan 8.230 nan 0.000 0.441 280 N N -0.633 118.017 118.700 -0.082 0.000 2.188 280 N HA -0.126 4.608 4.740 -0.011 0.000 0.184 280 N C 1.882 177.344 175.510 -0.079 0.000 1.018 280 N CA 0.888 53.928 53.050 -0.018 0.000 0.858 280 N CB -0.149 38.404 38.487 0.109 0.000 0.989 280 N HN 0.506 nan 8.380 nan 0.000 0.426 281 A N 2.212 124.812 122.820 -0.366 0.000 1.873 281 A HA -0.132 4.181 4.320 -0.011 0.000 0.218 281 A C -0.353 177.134 177.584 -0.162 0.000 1.193 281 A CA 1.529 53.325 52.037 -0.402 0.000 0.629 281 A CB -1.622 16.956 19.000 -0.703 0.000 0.826 281 A HN 0.251 nan 8.150 nan 0.000 0.447 282 P HA -0.089 nan 4.420 nan 0.000 0.222 282 P C 1.353 178.990 177.300 0.560 0.000 1.147 282 P CA 0.941 64.084 63.100 0.072 0.000 0.790 282 P CB -0.124 31.733 31.700 0.262 0.000 0.780 283 I N -1.234 119.563 120.570 0.378 0.000 2.400 283 I HA -0.109 4.055 4.170 -0.011 0.000 0.248 283 I C 2.664 179.062 176.117 0.468 0.000 1.109 283 I CA 1.068 62.689 61.300 0.536 0.000 1.425 283 I CB -0.511 37.685 38.000 0.327 0.000 1.094 283 I HN -0.186 nan 8.210 nan 0.000 0.425 284 M N 0.503 120.273 119.600 0.284 0.000 2.159 284 M HA -0.181 4.293 4.480 -0.011 0.000 0.263 284 M C 2.453 178.888 176.300 0.225 0.000 1.063 284 M CA 1.889 57.327 55.300 0.231 0.000 1.110 284 M CB -0.477 32.234 32.600 0.185 0.000 1.374 284 M HN 0.289 nan 8.290 nan 0.000 0.411 285 A N -0.503 122.456 122.820 0.231 0.000 2.024 285 A HA -0.080 4.233 4.320 -0.011 0.000 0.220 285 A C 2.159 179.904 177.584 0.268 0.000 1.164 285 A CA 1.540 53.718 52.037 0.235 0.000 0.643 285 A CB -0.643 18.490 19.000 0.221 0.000 0.806 285 A HN 0.343 nan 8.150 nan 0.000 0.451 286 V N -1.229 118.881 119.914 0.325 0.000 2.795 286 V HA 0.017 4.130 4.120 -0.011 0.000 0.243 286 V C 2.883 179.056 176.094 0.133 0.000 1.069 286 V CA 1.134 63.548 62.300 0.189 0.000 1.089 286 V CB -0.643 31.265 31.823 0.141 0.000 0.756 286 V HN 0.550 nan 8.190 nan 0.000 0.471 287 A N -0.086 122.858 122.820 0.208 0.000 1.908 287 A HA -0.307 4.006 4.320 -0.011 0.000 0.218 287 A C 2.139 179.734 177.584 0.018 0.000 1.181 287 A CA 2.349 54.452 52.037 0.111 0.000 0.627 287 A CB -0.517 18.592 19.000 0.182 0.000 0.818 287 A HN 0.499 nan 8.150 nan 0.000 0.445 288 Q N 0.104 119.940 119.800 0.060 0.000 2.050 288 Q HA -0.072 4.261 4.340 -0.011 0.000 0.202 288 Q C -0.696 175.289 176.000 -0.026 0.000 0.980 288 Q CA 2.273 58.095 55.803 0.032 0.000 0.840 288 Q CB -1.307 27.472 28.738 0.067 0.000 0.898 288 Q HN 0.449 nan 8.270 nan 0.000 0.424 289 P HA -0.136 nan 4.420 nan 0.000 0.216 289 P C 1.188 178.408 177.300 -0.134 0.000 1.150 289 P CA 1.183 64.246 63.100 -0.061 0.000 0.837 289 P CB -0.003 31.672 31.700 -0.041 0.000 0.786 290 V N -0.135 119.657 119.914 -0.203 0.000 2.307 290 V HA -0.240 3.873 4.120 -0.011 0.000 0.245 290 V C 2.438 178.315 176.094 -0.361 0.000 1.045 290 V CA 1.786 63.876 62.300 -0.350 0.000 1.024 290 V CB -0.971 30.506 31.823 -0.577 0.000 0.651 290 V HN 0.079 nan 8.190 nan 0.000 0.449 291 R N 0.357 120.657 120.500 -0.332 0.000 2.091 291 R HA -0.159 4.174 4.340 -0.011 0.000 0.238 291 R C 2.235 178.287 176.300 -0.414 0.000 1.136 291 R CA 1.705 57.493 56.100 -0.519 0.000 0.959 291 R CB -0.529 29.642 30.300 -0.215 0.000 0.856 291 R HN 0.525 nan 8.270 nan 0.000 0.437 292 N N 0.927 119.529 118.700 -0.163 0.000 2.149 292 N HA -0.187 4.546 4.740 -0.011 0.000 0.188 292 N C 1.569 177.010 175.510 -0.116 0.000 1.019 292 N CA 1.178 54.179 53.050 -0.082 0.000 0.857 292 N CB -0.134 38.317 38.487 -0.059 0.000 0.997 292 N HN 0.281 nan 8.380 nan 0.000 0.426 293 K N 1.295 121.603 120.400 -0.153 0.000 1.984 293 K HA -0.035 4.278 4.320 -0.011 0.000 0.209 293 K C 2.137 178.674 176.600 -0.105 0.000 1.046 293 K CA 1.035 57.251 56.287 -0.119 0.000 0.934 293 K CB -0.136 32.308 32.500 -0.092 0.000 0.717 293 K HN 0.252 nan 8.250 nan 0.000 0.438 294 I N -1.638 118.831 120.570 -0.169 0.000 2.493 294 I HA -0.180 3.984 4.170 -0.011 0.000 0.254 294 I C 1.140 177.277 176.117 0.033 0.000 1.160 294 I CA 1.134 62.405 61.300 -0.049 0.000 1.445 294 I CB -0.398 37.369 38.000 -0.387 0.000 1.086 294 I HN 0.073 nan 8.210 nan 0.000 0.433 295 Y N 2.031 122.304 120.300 -0.045 0.000 2.544 295 Y HA 0.028 4.572 4.550 -0.011 0.000 0.286 295 Y C 2.784 178.585 175.900 -0.164 0.000 1.141 295 Y CA 0.204 58.236 58.100 -0.113 0.000 1.299 295 Y CB -0.612 37.685 38.460 -0.273 0.000 1.030 295 Y HN 0.454 nan 8.280 nan 0.000 0.543 296 S N -0.688 115.014 115.700 0.003 0.000 2.583 296 S HA 0.002 4.465 4.470 -0.011 0.000 0.203 296 S C 1.942 176.498 174.600 -0.073 0.000 0.952 296 S CA 0.243 58.415 58.200 -0.048 0.000 0.887 296 S CB -0.357 62.799 63.200 -0.073 0.000 0.857 296 S HN 0.189 nan 8.310 nan 0.000 0.611 297 K N 0.243 120.536 120.400 -0.179 0.000 2.147 297 K HA -0.034 4.280 4.320 -0.011 0.000 0.205 297 K C 0.188 176.505 176.600 -0.472 0.000 1.049 297 K CA 1.182 57.237 56.287 -0.386 0.000 0.936 297 K CB -0.155 31.974 32.500 -0.618 0.000 0.722 297 K HN 0.524 nan 8.250 nan 0.000 0.446 298 Y N -0.422 119.942 120.300 0.106 0.000 2.774 298 Y HA 0.373 4.917 4.550 -0.011 0.000 0.305 298 Y C 1.095 177.054 175.900 0.097 0.000 1.067 298 Y CA -0.434 57.734 58.100 0.115 0.000 1.304 298 Y CB 0.121 38.689 38.460 0.180 0.000 1.209 298 Y HN 0.064 nan 8.280 nan 0.000 0.543 299 A N -0.315 122.611 122.820 0.177 0.000 1.948 299 A HA -0.313 4.000 4.320 -0.011 0.000 0.220 299 A C 1.945 179.581 177.584 0.086 0.000 1.177 299 A CA 1.958 54.096 52.037 0.168 0.000 0.636 299 A CB -0.942 18.143 19.000 0.142 0.000 0.815 299 A HN 0.650 nan 8.150 nan 0.000 0.449 300 Y N 1.510 121.805 120.300 -0.009 0.000 2.114 300 Y HA -0.280 4.263 4.550 -0.011 0.000 0.282 300 Y C 2.906 178.749 175.900 -0.095 0.000 1.165 300 Y CA 2.832 60.905 58.100 -0.045 0.000 1.148 300 Y CB -0.450 37.973 38.460 -0.062 0.000 0.972 300 Y HN 0.451 nan 8.280 nan 0.000 0.504 301 T N -3.222 111.281 114.554 -0.085 0.000 3.051 301 T HA 0.010 4.353 4.350 -0.011 0.000 0.255 301 T C 1.412 175.872 174.700 -0.399 0.000 1.085 301 T CA 0.824 62.710 62.100 -0.357 0.000 1.109 301 T CB -0.751 67.662 68.868 -0.759 0.000 0.921 301 T HN 0.334 nan 8.240 nan 0.000 0.488 302 F N -0.059 119.877 119.950 -0.024 0.000 2.694 302 F HA 0.366 4.886 4.527 -0.010 0.000 0.292 302 F C 1.333 176.992 175.800 -0.235 0.000 1.121 302 F CA -0.758 57.237 58.000 -0.008 0.000 1.352 302 F CB 0.303 39.335 39.000 0.054 0.000 1.107 302 F HN 0.254 nan 8.300 nan 0.000 0.597 303 H N 1.855 120.726 119.070 -0.333 0.000 2.690 303 H HA 0.209 4.759 4.556 -0.011 0.000 0.289 303 H C -0.826 174.142 175.328 -0.601 0.000 1.089 303 H CA -0.448 55.355 56.048 -0.408 0.000 1.299 303 H CB 0.106 29.773 29.762 -0.157 0.000 1.405 303 H HN 0.042 nan 8.280 nan 0.000 0.463 304 H N 4.073 123.033 119.070 -0.184 0.000 2.505 304 H HA 0.129 4.678 4.556 -0.011 0.000 0.338 304 H C 0.552 175.721 175.328 -0.265 0.000 1.057 304 H CA -0.359 55.560 56.048 -0.215 0.000 1.202 304 H CB 2.127 31.851 29.762 -0.063 0.000 1.466 304 H HN 0.758 nan 8.280 nan 0.000 0.499 305 T N -0.564 113.890 114.554 -0.167 0.000 3.409 305 T HA 0.089 4.433 4.350 -0.011 0.000 0.188 305 T C 0.951 175.682 174.700 0.051 0.000 0.929 305 T CA 0.408 62.483 62.100 -0.043 0.000 1.184 305 T CB -0.241 68.494 68.868 -0.223 0.000 1.570 305 T HN 0.522 nan 8.240 nan 0.000 0.367 306 T N 0.355 114.872 114.554 -0.061 0.000 2.862 306 T HA 0.431 4.775 4.350 -0.011 0.000 0.276 306 T C 1.321 175.948 174.700 -0.122 0.000 0.974 306 T CA -0.754 61.308 62.100 -0.062 0.000 0.966 306 T CB 1.307 70.124 68.868 -0.085 0.000 1.072 306 T HN 0.570 nan 8.240 nan 0.000 0.538 307 R N -0.071 120.362 120.500 -0.112 0.000 2.092 307 R HA 0.009 4.342 4.340 -0.011 0.000 0.231 307 R C 1.926 178.185 176.300 -0.068 0.000 1.119 307 R CA 0.712 56.736 56.100 -0.127 0.000 0.970 307 R CB -0.934 29.351 30.300 -0.025 0.000 0.864 307 R HN 0.364 nan 8.270 nan 0.000 0.440 308 L N 1.930 123.122 121.223 -0.053 0.000 2.109 308 L HA -0.081 4.252 4.340 -0.011 0.000 0.207 308 L C 2.216 179.048 176.870 -0.064 0.000 1.086 308 L CA 1.700 56.519 54.840 -0.036 0.000 0.760 308 L CB -1.068 40.965 42.059 -0.044 0.000 0.910 308 L HN 0.278 nan 8.230 nan 0.000 0.437 309 N N 0.069 118.710 118.700 -0.098 0.000 2.104 309 N HA -0.230 4.503 4.740 -0.011 0.000 0.190 309 N C 1.721 177.150 175.510 -0.135 0.000 1.024 309 N CA 1.603 54.583 53.050 -0.116 0.000 0.853 309 N CB 0.049 38.451 38.487 -0.142 0.000 1.008 309 N HN 0.297 nan 8.380 nan 0.000 0.424 310 K N -0.114 120.176 120.400 -0.184 0.000 2.116 310 K HA -0.070 4.243 4.320 -0.011 0.000 0.203 310 K C 1.972 178.524 176.600 -0.080 0.000 1.052 310 K CA 1.006 57.137 56.287 -0.259 0.000 0.952 310 K CB -0.133 31.936 32.500 -0.719 0.000 0.729 310 K HN 0.317 nan 8.250 nan 0.000 0.446 311 E N 1.643 121.893 120.200 0.085 0.000 2.118 311 E HA -0.223 4.120 4.350 -0.011 0.000 0.195 311 E C 1.607 178.177 176.600 -0.049 0.000 0.992 311 E CA 1.268 57.765 56.400 0.161 0.000 0.804 311 E CB 0.175 29.961 29.700 0.142 0.000 0.741 311 E HN 0.299 nan 8.360 nan 0.000 0.458 312 E N 0.328 120.485 120.200 -0.071 0.000 2.110 312 E HA -0.207 4.136 4.350 -0.011 0.000 0.193 312 E C 2.083 178.603 176.600 -0.132 0.000 0.988 312 E CA 1.147 57.498 56.400 -0.082 0.000 0.804 312 E CB -0.009 29.659 29.700 -0.054 0.000 0.745 312 E HN 0.229 nan 8.360 nan 0.000 0.458 313 K N 0.580 120.850 120.400 -0.217 0.000 2.001 313 K HA -0.069 4.244 4.320 -0.011 0.000 0.208 313 K C 2.221 178.381 176.600 -0.734 0.000 1.048 313 K CA 1.143 57.234 56.287 -0.326 0.000 0.932 313 K CB -0.124 32.087 32.500 -0.482 0.000 0.715 313 K HN -0.045 nan 8.250 nan 0.000 0.437 314 V N 2.246 121.639 119.914 -0.867 0.000 2.626 314 V HA -0.188 3.926 4.120 -0.011 0.000 0.252 314 V C 2.099 177.828 176.094 -0.609 0.000 1.067 314 V CA 1.409 62.990 62.300 -1.198 0.000 1.081 314 V CB -0.426 30.968 31.823 -0.715 0.000 0.686 314 V HN 0.244 nan 8.190 nan 0.000 0.468 315 K N 0.596 120.789 120.400 -0.344 0.000 2.063 315 K HA -0.182 4.131 4.320 -0.011 0.000 0.208 315 K C 1.902 178.460 176.600 -0.069 0.000 1.048 315 K CA 1.491 57.680 56.287 -0.163 0.000 0.928 315 K CB -0.369 32.069 32.500 -0.105 0.000 0.713 315 K HN 0.607 nan 8.250 nan 0.000 0.442 316 E N -0.499 119.662 120.200 -0.066 0.000 2.472 316 E HA -0.124 4.219 4.350 -0.011 0.000 0.200 316 E C 0.040 176.814 176.600 0.290 0.000 1.046 316 E CA 0.193 56.653 56.400 0.100 0.000 0.871 316 E CB 0.012 29.799 29.700 0.144 0.000 0.806 316 E HN 0.187 nan 8.360 nan 0.000 0.533 317 W N 0.301 121.642 121.300 0.069 0.000 2.375 317 W HA 0.196 4.849 4.660 -0.011 0.000 0.336 317 W C 1.294 177.874 176.519 0.102 0.000 1.160 317 W CA -1.315 56.082 57.345 0.088 0.000 1.266 317 W CB 0.789 30.299 29.460 0.083 0.000 1.195 317 W HN -0.213 nan 8.180 nan 0.000 0.599 318 S N 0.637 116.553 115.700 0.361 0.000 2.486 318 S HA 0.105 4.568 4.470 -0.011 0.000 0.220 318 S C -0.018 174.735 174.600 0.256 0.000 1.011 318 S CA 0.156 58.514 58.200 0.263 0.000 0.921 318 S CB 0.107 63.441 63.200 0.224 0.000 0.785 318 S HN 0.269 nan 8.310 nan 0.000 0.517 319 L N 0.400 121.797 121.223 0.291 0.000 2.482 319 L HA 0.648 4.982 4.340 -0.011 0.000 0.263 319 L C -1.772 175.308 176.870 0.349 0.000 0.957 319 L CA -0.642 54.317 54.840 0.198 0.000 0.836 319 L CB 1.816 43.812 42.059 -0.104 0.000 1.324 319 L HN 0.085 nan 8.230 nan 0.000 0.406 320 C N 5.152 124.623 119.300 0.285 0.000 2.381 320 C HA 0.840 5.294 4.460 -0.011 0.000 0.328 320 C C -0.998 174.026 174.990 0.057 0.000 1.190 320 C CA -0.426 58.817 59.018 0.374 0.000 1.369 320 C CB 0.617 28.635 27.740 0.463 0.000 2.029 320 C HN 0.619 nan 8.230 nan 0.000 0.448 321 V N 6.362 126.286 119.914 0.016 0.000 2.357 321 V HA 0.616 4.729 4.120 -0.011 0.000 0.284 321 V C 0.738 176.815 176.094 -0.028 0.000 1.018 321 V CA -0.201 61.954 62.300 -0.242 0.000 0.841 321 V CB 1.246 32.934 31.823 -0.224 0.000 0.991 321 V HN 1.077 nan 8.190 nan 0.000 0.437 322 A N 4.326 127.166 122.820 0.033 0.000 2.343 322 A HA 0.623 4.937 4.320 -0.011 0.000 0.305 322 A C 0.715 178.391 177.584 0.153 0.000 1.308 322 A CA -0.207 51.905 52.037 0.125 0.000 0.949 322 A CB -0.059 19.062 19.000 0.202 0.000 1.148 322 A HN 0.898 nan 8.150 nan 0.000 0.545 323 T N -0.096 114.516 114.554 0.097 0.000 2.881 323 T HA 0.650 4.994 4.350 -0.011 0.000 0.278 323 T C -0.693 174.111 174.700 0.173 0.000 0.982 323 T CA -0.590 61.597 62.100 0.145 0.000 0.989 323 T CB 1.461 70.393 68.868 0.107 0.000 1.058 323 T HN 0.441 nan 8.240 nan 0.000 0.529 324 D N -0.575 119.939 120.400 0.191 0.000 2.819 324 D HA 0.575 5.208 4.640 -0.011 0.000 0.232 324 D C -1.375 175.045 176.300 0.201 0.000 1.160 324 D CA -0.403 53.699 54.000 0.170 0.000 0.858 324 D CB 2.185 43.043 40.800 0.097 0.000 1.610 324 D HN 0.524 nan 8.370 nan 0.000 0.481 325 V N 1.517 121.558 119.914 0.213 0.000 2.540 325 V HA 0.501 4.614 4.120 -0.011 0.000 0.302 325 V C 0.083 176.293 176.094 0.194 0.000 1.035 325 V CA -0.922 61.511 62.300 0.221 0.000 0.873 325 V CB 1.768 33.770 31.823 0.299 0.000 0.992 325 V HN 0.569 nan 8.190 nan 0.000 0.428 326 S N 3.139 118.935 115.700 0.160 0.000 2.499 326 S HA 0.247 4.710 4.470 -0.011 0.000 0.275 326 S C 0.358 175.168 174.600 0.349 0.000 1.257 326 S CA -0.155 58.165 58.200 0.200 0.000 1.050 326 S CB -0.045 63.254 63.200 0.164 0.000 0.937 326 S HN 0.955 nan 8.310 nan 0.000 0.490 327 D N 2.791 123.372 120.400 0.303 0.000 2.810 327 D HA -0.241 4.393 4.640 -0.011 0.000 0.224 327 D C 0.606 177.135 176.300 0.382 0.000 1.222 327 D CA 1.195 55.371 54.000 0.293 0.000 0.698 327 D CB -1.258 39.684 40.800 0.237 0.000 0.961 327 D HN 0.970 nan 8.370 nan 0.000 0.403 328 H N 0.353 119.570 119.070 0.245 0.000 2.289 328 H HA -0.152 4.397 4.556 -0.011 0.000 0.296 328 H C 1.390 176.867 175.328 0.247 0.000 1.091 328 H CA 2.499 58.702 56.048 0.258 0.000 1.274 328 H CB 0.231 30.115 29.762 0.203 0.000 1.364 328 H HN 0.212 nan 8.280 nan 0.000 0.490 329 D N -0.768 119.790 120.400 0.263 0.000 2.144 329 D HA -0.145 4.488 4.640 -0.011 0.000 0.199 329 D C 2.342 178.661 176.300 0.032 0.000 0.984 329 D CA 2.060 56.129 54.000 0.115 0.000 0.834 329 D CB -0.706 40.145 40.800 0.086 0.000 0.955 329 D HN 0.690 nan 8.370 nan 0.000 0.465 330 T N -2.382 112.178 114.554 0.010 0.000 2.985 330 T HA -0.043 4.301 4.350 -0.011 0.000 0.266 330 T C 1.902 176.531 174.700 -0.118 0.000 1.076 330 T CA 0.408 62.458 62.100 -0.084 0.000 1.135 330 T CB -0.592 68.178 68.868 -0.164 0.000 0.890 330 T HN 0.085 nan 8.240 nan 0.000 0.480 331 F N -0.318 119.638 119.950 0.011 0.000 2.743 331 F HA 0.345 4.865 4.527 -0.011 0.000 0.297 331 F C 0.872 176.633 175.800 -0.066 0.000 1.131 331 F CA -1.444 56.550 58.000 -0.010 0.000 1.426 331 F CB -0.016 38.985 39.000 0.001 0.000 1.116 331 F HN 0.162 nan 8.300 nan 0.000 0.583 332 W N 5.439 126.657 121.300 -0.136 0.000 2.435 332 W HA 0.019 4.672 4.660 -0.011 0.000 0.337 332 W C -2.267 174.097 176.519 -0.258 0.000 1.300 332 W CA -1.684 55.493 57.345 -0.281 0.000 1.298 332 W CB 0.114 29.384 29.460 -0.317 0.000 1.217 332 W HN -0.174 nan 8.180 nan 0.000 0.565 333 P HA 0.115 nan 4.420 nan 0.000 0.287 333 P C 0.549 177.228 177.300 -1.035 0.000 1.281 333 P CA 0.092 62.604 63.100 -0.980 0.000 0.781 333 P CB 1.445 32.244 31.700 -1.501 0.000 0.903 334 G N 3.853 112.413 108.800 -0.400 0.000 2.448 334 G HA2 -0.230 3.723 3.960 -0.011 0.000 0.219 334 G HA3 -0.230 3.723 3.960 -0.011 0.000 0.219 334 G C 1.246 176.030 174.900 -0.193 0.000 1.127 334 G CA -0.010 44.993 45.100 -0.161 0.000 0.766 334 G HN 0.715 nan 8.290 nan 0.000 0.552 335 W N 0.177 121.354 121.300 -0.205 0.000 2.425 335 W HA 0.073 4.726 4.660 -0.011 0.000 0.277 335 W C 1.651 178.001 176.519 -0.283 0.000 1.231 335 W CA 0.396 57.624 57.345 -0.195 0.000 1.248 335 W CB -0.871 28.482 29.460 -0.178 0.000 1.117 335 W HN 0.172 nan 8.180 nan 0.000 0.568 336 L N 2.324 123.031 121.223 -0.861 0.000 2.109 336 L HA -0.068 4.265 4.340 -0.011 0.000 0.207 336 L C 3.041 179.736 176.870 -0.292 0.000 1.086 336 L CA 2.082 56.433 54.840 -0.814 0.000 0.760 336 L CB -0.980 40.169 42.059 -1.516 0.000 0.910 336 L HN -0.037 nan 8.230 nan 0.000 0.437 337 R N -0.401 119.986 120.500 -0.189 0.000 2.096 337 R HA -0.204 4.130 4.340 -0.011 0.000 0.240 337 R C 1.734 178.110 176.300 0.127 0.000 1.139 337 R CA 2.185 58.408 56.100 0.206 0.000 0.952 337 R CB -0.560 29.892 30.300 0.254 0.000 0.854 337 R HN 0.415 nan 8.270 nan 0.000 0.436 338 D N 0.895 121.338 120.400 0.071 0.000 2.144 338 D HA -0.169 4.464 4.640 -0.011 0.000 0.200 338 D C 1.966 178.309 176.300 0.072 0.000 0.978 338 D CA 0.989 55.038 54.000 0.082 0.000 0.833 338 D CB -0.257 40.594 40.800 0.085 0.000 0.961 338 D HN 0.319 nan 8.370 nan 0.000 0.470 339 L N 0.474 121.740 121.223 0.071 0.000 2.056 339 L HA -0.109 4.224 4.340 -0.011 0.000 0.207 339 L C 2.236 179.129 176.870 0.038 0.000 1.078 339 L CA 0.959 55.837 54.840 0.064 0.000 0.749 339 L CB -0.113 42.000 42.059 0.089 0.000 0.901 339 L HN -0.073 nan 8.230 nan 0.000 0.433 340 I N -0.792 119.801 120.570 0.039 0.000 2.226 340 I HA -0.353 3.811 4.170 -0.011 0.000 0.245 340 I C 2.611 178.682 176.117 -0.077 0.000 1.100 340 I CA 1.270 62.567 61.300 -0.004 0.000 1.374 340 I CB -0.432 37.615 38.000 0.078 0.000 1.057 340 I HN 0.429 nan 8.210 nan 0.000 0.413 341 C N 0.432 119.739 119.300 0.012 0.000 2.429 341 C HA -0.204 4.249 4.460 -0.011 0.000 0.277 341 C C 2.575 177.551 174.990 -0.023 0.000 1.262 341 C CA 1.311 60.329 59.018 0.001 0.000 1.733 341 C CB -1.016 26.777 27.740 0.090 0.000 2.010 341 C HN 0.562 nan 8.230 nan 0.000 0.483 342 D N 0.458 120.861 120.400 0.004 0.000 2.117 342 D HA -0.168 4.465 4.640 -0.011 0.000 0.197 342 D C 2.109 178.400 176.300 -0.014 0.000 0.987 342 D CA 1.540 55.544 54.000 0.007 0.000 0.829 342 D CB -0.158 40.656 40.800 0.022 0.000 0.961 342 D HN 0.395 nan 8.370 nan 0.000 0.460 343 E N -0.250 119.930 120.200 -0.033 0.000 2.107 343 E HA -0.052 4.291 4.350 -0.011 0.000 0.191 343 E C 2.171 178.714 176.600 -0.094 0.000 0.982 343 E CA 0.691 57.065 56.400 -0.043 0.000 0.809 343 E CB -0.332 29.349 29.700 -0.031 0.000 0.756 343 E HN 0.381 nan 8.360 nan 0.000 0.459 344 L N -0.074 121.026 121.223 -0.204 0.000 2.079 344 L HA -0.190 4.143 4.340 -0.011 0.000 0.210 344 L C 2.438 179.266 176.870 -0.070 0.000 1.081 344 L CA 0.930 55.581 54.840 -0.316 0.000 0.752 344 L CB -0.422 41.284 42.059 -0.588 0.000 0.896 344 L HN 0.207 nan 8.230 nan 0.000 0.433 345 L N -0.483 120.721 121.223 -0.032 0.000 2.017 345 L HA -0.212 4.121 4.340 -0.011 0.000 0.208 345 L C 2.340 179.227 176.870 0.028 0.000 1.073 345 L CA 1.048 55.901 54.840 0.021 0.000 0.745 345 L CB -0.649 41.422 42.059 0.020 0.000 0.894 345 L HN 0.349 nan 8.230 nan 0.000 0.432 346 N N -0.055 118.654 118.700 0.015 0.000 2.205 346 N HA -0.171 4.562 4.740 -0.011 0.000 0.186 346 N C 1.793 177.322 175.510 0.033 0.000 1.015 346 N CA 1.401 54.463 53.050 0.021 0.000 0.862 346 N CB -0.218 38.278 38.487 0.015 0.000 0.986 346 N HN 0.371 nan 8.380 nan 0.000 0.429 347 M N -1.020 118.608 119.600 0.047 0.000 2.476 347 M HA 0.056 4.530 4.480 -0.011 0.000 0.262 347 M C 0.985 177.339 176.300 0.090 0.000 1.079 347 M CA 0.876 56.227 55.300 0.085 0.000 1.104 347 M CB 0.225 32.905 32.600 0.134 0.000 1.409 347 M HN 0.304 nan 8.290 nan 0.000 0.467 348 G N -0.701 108.146 108.800 0.078 0.000 2.163 348 G HA2 -0.240 3.714 3.960 -0.011 0.000 0.213 348 G HA3 -0.240 3.714 3.960 -0.011 0.000 0.213 348 G C -0.192 174.699 174.900 -0.014 0.000 0.991 348 G CA -0.710 44.403 45.100 0.023 0.000 0.653 348 G HN 0.407 nan 8.290 nan 0.000 0.518 349 Y N 1.285 121.509 120.300 -0.127 0.000 2.578 349 Y HA 0.368 4.911 4.550 -0.012 0.000 0.339 349 Y C 1.414 177.188 175.900 -0.209 0.000 1.231 349 Y CA 0.399 58.380 58.100 -0.199 0.000 1.461 349 Y CB 0.745 39.085 38.460 -0.200 0.000 1.323 349 Y HN 0.508 nan 8.280 nan 0.000 0.590 350 A N 6.089 128.743 122.820 -0.277 0.000 2.566 350 A HA 0.054 4.367 4.320 -0.011 0.000 0.245 350 A C -1.735 175.652 177.584 -0.328 0.000 1.056 350 A CA -1.042 50.746 52.037 -0.415 0.000 0.757 350 A CB -0.155 18.251 19.000 -0.991 0.000 0.979 350 A HN 0.652 nan 8.150 nan 0.000 0.508 351 P HA -0.158 nan 4.420 nan 0.000 0.217 351 P C 1.542 178.867 177.300 0.042 0.000 1.150 351 P CA 1.676 64.775 63.100 -0.002 0.000 0.832 351 P CB -0.080 31.663 31.700 0.071 0.000 0.787 352 W N -1.885 119.495 121.300 0.134 0.000 2.388 352 W HA -0.095 4.561 4.660 -0.007 0.000 0.294 352 W C 1.840 178.460 176.519 0.169 0.000 1.212 352 W CA 0.225 57.640 57.345 0.118 0.000 1.271 352 W CB -1.820 27.697 29.460 0.094 0.000 1.126 352 W HN 0.048 nan 8.180 nan 0.000 0.535 353 W N 2.281 123.261 121.300 -0.532 0.000 2.409 353 W HA -0.104 4.549 4.660 -0.011 0.000 0.299 353 W C 2.405 178.901 176.519 -0.040 0.000 1.203 353 W CA 2.632 59.778 57.345 -0.331 0.000 1.298 353 W CB -0.619 28.373 29.460 -0.780 0.000 1.127 353 W HN -0.284 nan 8.180 nan 0.000 0.528 354 V N 1.288 121.274 119.914 0.121 0.000 2.407 354 V HA -0.306 3.807 4.120 -0.011 0.000 0.248 354 V C 2.288 178.389 176.094 0.010 0.000 1.055 354 V CA 2.258 64.598 62.300 0.067 0.000 1.049 354 V CB -1.042 30.837 31.823 0.094 0.000 0.662 354 V HN 0.047 nan 8.190 nan 0.000 0.455 355 K N 0.365 120.795 120.400 0.050 0.000 2.097 355 K HA -0.082 4.231 4.320 -0.011 0.000 0.206 355 K C 1.861 178.496 176.600 0.058 0.000 1.049 355 K CA 1.467 57.806 56.287 0.086 0.000 0.933 355 K CB -0.499 32.075 32.500 0.122 0.000 0.717 355 K HN 0.430 nan 8.250 nan 0.000 0.442 356 L N -0.682 120.532 121.223 -0.015 0.000 2.056 356 L HA -0.102 4.231 4.340 -0.011 0.000 0.207 356 L C 2.168 178.954 176.870 -0.140 0.000 1.078 356 L CA 1.106 55.912 54.840 -0.057 0.000 0.749 356 L CB -0.468 41.533 42.059 -0.097 0.000 0.901 356 L HN 0.131 nan 8.230 nan 0.000 0.433 357 F N 1.006 120.660 119.950 -0.493 0.000 2.102 357 F HA -0.254 4.266 4.527 -0.012 0.000 0.298 357 F C 2.638 178.332 175.800 -0.177 0.000 1.105 357 F CA 1.992 59.724 58.000 -0.447 0.000 1.239 357 F CB -0.172 38.423 39.000 -0.675 0.000 0.991 357 F HN 0.103 nan 8.300 nan 0.000 0.474 358 E N -0.571 119.650 120.200 0.035 0.000 2.038 358 E HA -0.233 4.110 4.350 -0.011 0.000 0.195 358 E C 2.003 178.581 176.600 -0.036 0.000 1.000 358 E CA 2.128 58.542 56.400 0.022 0.000 0.803 358 E CB -0.315 29.440 29.700 0.091 0.000 0.750 358 E HN 0.398 nan 8.360 nan 0.000 0.448 359 T N 0.446 115.004 114.554 0.008 0.000 2.759 359 T HA -0.180 4.163 4.350 -0.011 0.000 0.269 359 T C 2.034 176.704 174.700 -0.050 0.000 1.042 359 T CA 1.556 63.664 62.100 0.014 0.000 1.140 359 T CB -0.403 68.548 68.868 0.139 0.000 0.864 359 T HN 0.334 nan 8.240 nan 0.000 0.455 360 S N 1.181 116.819 115.700 -0.103 0.000 2.469 360 S HA 0.041 4.504 4.470 -0.011 0.000 0.238 360 S C 1.514 176.090 174.600 -0.040 0.000 0.998 360 S CA 0.665 58.810 58.200 -0.091 0.000 0.957 360 S CB -0.559 62.545 63.200 -0.159 0.000 0.764 360 S HN 0.487 nan 8.310 nan 0.000 0.514 361 L N -0.220 120.919 121.223 -0.141 0.000 2.872 361 L HA 0.428 4.761 4.340 -0.011 0.000 0.245 361 L C 0.975 177.828 176.870 -0.028 0.000 1.211 361 L CA 0.038 54.803 54.840 -0.125 0.000 1.013 361 L CB 0.149 42.079 42.059 -0.215 0.000 1.326 361 L HN 0.196 nan 8.230 nan 0.000 0.525 362 K N -0.740 119.657 120.400 -0.005 0.000 2.582 362 K HA 0.217 4.530 4.320 -0.011 0.000 0.204 362 K C -0.250 176.345 176.600 -0.010 0.000 1.221 362 K CA -0.446 55.835 56.287 -0.010 0.000 1.048 362 K CB 1.130 33.606 32.500 -0.039 0.000 1.011 362 K HN -0.031 nan 8.250 nan 0.000 0.597 363 L N 2.622 123.869 121.223 0.041 0.000 2.461 363 L HA 0.156 4.490 4.340 -0.011 0.000 0.272 363 L C -2.331 174.584 176.870 0.075 0.000 1.197 363 L CA -1.541 53.308 54.840 0.016 0.000 0.836 363 L CB 0.248 42.282 42.059 -0.042 0.000 1.105 363 L HN -0.119 nan 8.230 nan 0.000 0.477 364 P HA 0.141 nan 4.420 nan 0.000 0.271 364 P C -1.576 175.811 177.300 0.144 0.000 1.244 364 P CA -0.144 63.000 63.100 0.073 0.000 0.793 364 P CB 0.629 32.355 31.700 0.043 0.000 0.984 365 V N -0.946 119.072 119.914 0.174 0.000 2.638 365 V HA 0.494 4.608 4.120 -0.011 0.000 0.306 365 V C -1.426 174.801 176.094 0.222 0.000 1.052 365 V CA -0.994 61.427 62.300 0.202 0.000 0.885 365 V CB 1.496 33.406 31.823 0.144 0.000 0.999 365 V HN 0.394 nan 8.190 nan 0.000 0.424 366 Y N 4.478 124.852 120.300 0.123 0.000 2.367 366 Y HA 0.694 5.238 4.550 -0.009 0.000 0.342 366 Y C -0.164 175.734 175.900 -0.003 0.000 0.979 366 Y CA -0.561 57.626 58.100 0.145 0.000 1.161 366 Y CB 1.531 40.154 38.460 0.272 0.000 1.155 366 Y HN 0.683 nan 8.280 nan 0.000 0.503 367 V N 8.077 127.679 119.914 -0.521 0.000 2.432 367 V HA 0.261 4.374 4.120 -0.011 0.000 0.271 367 V C 0.870 176.492 176.094 -0.786 0.000 1.046 367 V CA 0.563 62.516 62.300 -0.577 0.000 0.945 367 V CB 0.674 32.143 31.823 -0.591 0.000 0.992 367 V HN 1.093 nan 8.190 nan 0.000 0.471 368 G N 3.853 112.328 108.800 -0.542 0.000 2.670 368 G HA2 0.376 4.330 3.960 -0.011 0.000 0.215 368 G HA3 0.376 4.330 3.960 -0.011 0.000 0.215 368 G C 0.343 174.917 174.900 -0.543 0.000 1.359 368 G CA 0.601 45.451 45.100 -0.417 0.000 0.897 368 G HN 1.059 nan 8.290 nan 0.000 0.552 369 A N -0.147 122.550 122.820 -0.205 0.000 2.745 369 A HA 0.669 4.982 4.320 -0.011 0.000 0.301 369 A C -2.096 175.491 177.584 0.005 0.000 1.188 369 A CA -0.804 51.166 52.037 -0.111 0.000 0.746 369 A CB 1.624 20.676 19.000 0.087 0.000 1.207 369 A HN 0.158 nan 8.150 nan 0.000 0.432 370 P HA 0.232 nan 4.420 nan 0.000 0.231 370 P C 0.451 177.620 177.300 -0.218 0.000 1.168 370 P CA 1.523 64.324 63.100 -0.497 0.000 0.779 370 P CB 0.471 31.809 31.700 -0.603 0.000 0.844 371 A N -2.234 120.531 122.820 -0.093 0.000 2.566 371 A HA 0.581 4.895 4.320 -0.011 0.000 0.290 371 A C -3.121 174.274 177.584 -0.316 0.000 1.071 371 A CA -1.454 50.378 52.037 -0.343 0.000 0.658 371 A CB 0.129 18.992 19.000 -0.227 0.000 1.285 371 A HN -0.307 nan 8.150 nan 0.000 0.427 372 P HA 0.410 nan 4.420 nan 0.000 0.268 372 P C -0.257 177.020 177.300 -0.038 0.000 1.204 372 P CA 1.056 64.037 63.100 -0.198 0.000 0.768 372 P CB 0.494 32.049 31.700 -0.241 0.000 0.842 373 E N -0.856 119.383 120.200 0.066 0.000 2.971 373 E HA -0.246 4.098 4.350 -0.011 0.000 0.278 373 E C -0.436 176.228 176.600 0.106 0.000 1.009 373 E CA 1.298 57.746 56.400 0.080 0.000 0.862 373 E CB -1.576 28.146 29.700 0.037 0.000 1.436 373 E HN 0.557 nan 8.360 nan 0.000 0.434 374 Q N -1.405 118.471 119.800 0.126 0.000 2.423 374 Q HA 0.665 4.998 4.340 -0.011 0.000 0.278 374 Q C 0.424 176.487 176.000 0.104 0.000 1.097 374 Q CA -0.437 55.466 55.803 0.167 0.000 0.809 374 Q CB 2.420 31.273 28.738 0.191 0.000 1.391 374 Q HN 0.237 nan 8.270 nan 0.000 0.428 375 G N 0.182 109.082 108.800 0.166 0.000 2.384 375 G HA2 -0.197 3.757 3.960 -0.011 0.000 0.200 375 G HA3 -0.197 3.757 3.960 -0.011 0.000 0.200 375 G C -1.069 173.766 174.900 -0.108 0.000 1.205 375 G CA -0.226 44.772 45.100 -0.170 0.000 1.116 375 G HN 0.919 nan 8.290 nan 0.000 0.547 376 H N -0.443 118.558 119.070 -0.115 0.000 2.604 376 H HA -0.039 4.510 4.556 -0.012 0.000 0.321 376 H C 0.102 175.403 175.328 -0.045 0.000 1.132 376 H CA 1.316 57.321 56.048 -0.072 0.000 1.129 376 H CB -1.746 28.086 29.762 0.116 0.000 1.526 376 H HN 0.748 nan 8.280 nan 0.000 0.415 377 T N 0.927 115.345 114.554 -0.227 0.000 2.921 377 T HA 0.426 4.769 4.350 -0.011 0.000 0.297 377 T C -0.343 174.377 174.700 0.033 0.000 1.013 377 T CA -0.899 61.247 62.100 0.078 0.000 0.990 377 T CB 1.960 71.005 68.868 0.296 0.000 1.023 377 T HN 0.245 nan 8.240 nan 0.000 0.447 378 L N 4.368 125.782 121.223 0.318 0.000 2.276 378 L HA 0.612 4.945 4.340 -0.011 0.000 0.286 378 L C -1.194 175.905 176.870 0.382 0.000 1.061 378 L CA -0.322 54.768 54.840 0.417 0.000 0.807 378 L CB 0.191 42.572 42.059 0.537 0.000 1.177 378 L HN 0.582 nan 8.230 nan 0.000 0.429 379 L N 6.179 127.585 121.223 0.305 0.000 2.287 379 L HA 0.825 5.159 4.340 -0.011 0.000 0.287 379 L C 0.514 177.512 176.870 0.214 0.000 1.022 379 L CA -0.415 54.572 54.840 0.244 0.000 0.814 379 L CB 1.013 43.201 42.059 0.215 0.000 1.217 379 L HN 0.931 nan 8.230 nan 0.000 0.420 380 G N 2.095 111.020 108.800 0.207 0.000 2.675 380 G HA2 -0.152 3.801 3.960 -0.011 0.000 0.686 380 G HA3 -0.152 3.801 3.960 -0.011 0.000 0.686 380 G C -1.404 173.674 174.900 0.297 0.000 1.215 380 G CA -0.879 44.330 45.100 0.183 0.000 0.777 380 G HN 0.655 nan 8.290 nan 0.000 0.638 381 D N 1.913 122.440 120.400 0.212 0.000 2.329 381 D HA 0.551 5.185 4.640 -0.011 0.000 0.232 381 D C -0.995 175.283 176.300 -0.036 0.000 1.088 381 D CA -2.275 51.818 54.000 0.155 0.000 0.835 381 D CB 1.730 42.638 40.800 0.180 0.000 1.078 381 D HN 0.022 nan 8.370 nan 0.000 0.495 382 P HA -0.053 nan 4.420 nan 0.000 0.222 382 P C 1.070 178.281 177.300 -0.149 0.000 1.147 382 P CA 0.653 63.642 63.100 -0.185 0.000 0.790 382 P CB 0.381 31.911 31.700 -0.284 0.000 0.780 383 S N -1.543 114.101 115.700 -0.095 0.000 2.447 383 S HA -0.049 4.414 4.470 -0.011 0.000 0.233 383 S C 0.982 175.575 174.600 -0.013 0.000 1.006 383 S CA 0.813 59.015 58.200 0.002 0.000 0.957 383 S CB -0.487 62.724 63.200 0.018 0.000 0.773 383 S HN 0.168 nan 8.310 nan 0.000 0.507 384 N N 0.936 119.529 118.700 -0.178 0.000 2.751 384 N HA 0.251 4.985 4.740 -0.011 0.000 0.238 384 N C -3.388 171.887 175.510 -0.392 0.000 1.351 384 N CA -1.223 51.626 53.050 -0.335 0.000 0.751 384 N CB 1.223 39.660 38.487 -0.083 0.000 1.342 384 N HN -0.056 nan 8.380 nan 0.000 0.540 385 P HA 0.058 nan 4.420 nan 0.000 0.258 385 P C -0.214 176.946 177.300 -0.234 0.000 1.187 385 P CA 0.470 63.346 63.100 -0.373 0.000 0.767 385 P CB 0.396 31.836 31.700 -0.434 0.000 0.770 386 D N 1.911 122.241 120.400 -0.117 0.000 2.672 386 D HA 0.086 4.719 4.640 -0.011 0.000 0.287 386 D C -0.255 176.030 176.300 -0.023 0.000 1.559 386 D CA -0.134 53.830 54.000 -0.061 0.000 0.796 386 D CB -0.668 40.105 40.800 -0.046 0.000 1.181 386 D HN 0.018 nan 8.370 nan 0.000 0.458 387 L N 0.820 122.035 121.223 -0.014 0.000 2.453 387 L HA 0.382 4.715 4.340 -0.011 0.000 0.261 387 L C 0.793 177.669 176.870 0.011 0.000 1.179 387 L CA 0.472 55.315 54.840 0.006 0.000 0.813 387 L CB 0.767 42.841 42.059 0.024 0.000 1.110 387 L HN -0.011 nan 8.230 nan 0.000 0.466 388 E N 1.314 121.521 120.200 0.012 0.000 4.052 388 E HA 0.116 4.460 4.350 -0.011 0.000 0.219 388 E C 0.714 177.322 176.600 0.014 0.000 1.166 388 E CA 0.021 56.433 56.400 0.020 0.000 1.338 388 E CB 0.781 30.491 29.700 0.018 0.000 1.212 388 E HN 0.483 nan 8.360 nan 0.000 0.432 389 V N -1.667 118.250 119.914 0.006 0.000 3.380 389 V HA 0.266 4.380 4.120 -0.011 0.000 0.268 389 V C 1.015 177.099 176.094 -0.015 0.000 1.168 389 V CA 1.223 63.514 62.300 -0.014 0.000 1.156 389 V CB -0.558 31.244 31.823 -0.036 0.000 0.785 389 V HN 0.479 nan 8.190 nan 0.000 0.487 390 G N 0.149 108.969 108.800 0.034 0.000 2.709 390 G HA2 -0.165 3.788 3.960 -0.011 0.000 0.228 390 G HA3 -0.165 3.788 3.960 -0.011 0.000 0.228 390 G C -0.613 174.311 174.900 0.041 0.000 1.215 390 G CA -0.097 45.069 45.100 0.110 0.000 1.003 390 G HN 0.532 nan 8.290 nan 0.000 0.584 391 L N 1.681 122.834 121.223 -0.117 0.000 2.296 391 L HA 0.605 4.938 4.340 -0.011 0.000 0.286 391 L C 0.191 176.863 176.870 -0.329 0.000 1.023 391 L CA -0.588 54.002 54.840 -0.417 0.000 0.812 391 L CB 1.603 43.309 42.059 -0.590 0.000 1.223 391 L HN 0.579 nan 8.230 nan 0.000 0.421 392 S N 1.238 116.683 115.700 -0.425 0.000 2.499 392 S HA 0.038 4.502 4.470 -0.011 0.000 0.275 392 S C 1.208 175.558 174.600 -0.417 0.000 1.257 392 S CA -0.344 57.530 58.200 -0.544 0.000 1.050 392 S CB 1.531 64.049 63.200 -1.136 0.000 0.937 392 S HN 0.821 nan 8.310 nan 0.000 0.490 393 S N 3.004 118.531 115.700 -0.288 0.000 2.419 393 S HA -0.095 4.368 4.470 -0.011 0.000 0.235 393 S C 1.626 176.164 174.600 -0.103 0.000 1.019 393 S CA 0.953 59.058 58.200 -0.157 0.000 0.982 393 S CB -0.467 62.679 63.200 -0.091 0.000 0.789 393 S HN 0.816 nan 8.310 nan 0.000 0.490 394 G N 0.476 109.204 108.800 -0.120 0.000 3.141 394 G HA2 0.136 4.089 3.960 -0.011 0.000 0.218 394 G HA3 0.136 4.089 3.960 -0.011 0.000 0.218 394 G C 0.314 175.317 174.900 0.172 0.000 1.170 394 G CA -0.422 44.721 45.100 0.072 0.000 0.769 394 G HN 0.459 nan 8.290 nan 0.000 0.546 395 Q N 0.736 120.555 119.800 0.031 0.000 2.352 395 Q HA 0.162 4.495 4.340 -0.011 0.000 0.260 395 Q C 1.534 177.577 176.000 0.072 0.000 0.976 395 Q CA 0.232 56.086 55.803 0.086 0.000 0.881 395 Q CB 1.344 30.017 28.738 -0.108 0.000 1.235 395 Q HN 0.119 nan 8.270 nan 0.000 0.419 396 G N 2.624 111.492 108.800 0.113 0.000 2.564 396 G HA2 -0.074 3.879 3.960 -0.011 0.000 0.216 396 G HA3 -0.074 3.879 3.960 -0.011 0.000 0.216 396 G C 0.618 175.619 174.900 0.167 0.000 1.124 396 G CA 0.761 45.953 45.100 0.154 0.000 0.764 396 G HN 0.613 nan 8.290 nan 0.000 0.550 397 A N -0.075 122.832 122.820 0.145 0.000 2.594 397 A HA 0.441 4.754 4.320 -0.011 0.000 0.292 397 A C 1.883 179.509 177.584 0.070 0.000 1.026 397 A CA 0.949 53.093 52.037 0.178 0.000 0.983 397 A CB -0.381 18.858 19.000 0.398 0.000 1.233 397 A HN 0.275 nan 8.150 nan 0.000 0.519 398 T N -0.654 113.891 114.554 -0.015 0.000 2.759 398 T HA -0.250 4.093 4.350 -0.011 0.000 0.269 398 T C 1.520 176.193 174.700 -0.045 0.000 1.042 398 T CA 1.796 63.834 62.100 -0.104 0.000 1.140 398 T CB -0.545 68.251 68.868 -0.120 0.000 0.864 398 T HN 0.574 nan 8.240 nan 0.000 0.455 399 D N 2.058 122.466 120.400 0.014 0.000 2.117 399 D HA -0.117 4.516 4.640 -0.011 0.000 0.197 399 D C 2.213 178.533 176.300 0.034 0.000 0.987 399 D CA 0.953 54.974 54.000 0.034 0.000 0.829 399 D CB -0.747 40.094 40.800 0.068 0.000 0.961 399 D HN 0.459 nan 8.370 nan 0.000 0.460 400 L N -0.609 120.634 121.223 0.033 0.000 2.093 400 L HA -0.098 4.236 4.340 -0.011 0.000 0.208 400 L C 2.785 179.734 176.870 0.132 0.000 1.085 400 L CA 0.670 55.525 54.840 0.024 0.000 0.755 400 L CB -0.381 41.694 42.059 0.027 0.000 0.904 400 L HN -0.030 nan 8.230 nan 0.000 0.435 401 M N -0.322 119.361 119.600 0.139 0.000 2.132 401 M HA -0.073 4.400 4.480 -0.011 0.000 0.263 401 M C 2.394 178.911 176.300 0.361 0.000 1.065 401 M CA 1.806 57.231 55.300 0.208 0.000 1.122 401 M CB -1.732 30.735 32.600 -0.222 0.000 1.365 401 M HN 0.285 nan 8.290 nan 0.000 0.411 402 G N -0.432 108.499 108.800 0.219 0.000 2.402 402 G HA2 -0.168 3.785 3.960 -0.011 0.000 0.216 402 G HA3 -0.168 3.785 3.960 -0.011 0.000 0.216 402 G C 1.551 176.645 174.900 0.323 0.000 1.162 402 G CA 1.386 46.721 45.100 0.392 0.000 0.777 402 G HN 0.400 nan 8.290 nan 0.000 0.539 403 T N 1.489 116.160 114.554 0.195 0.000 2.746 403 T HA -0.122 4.221 4.350 -0.011 0.000 0.267 403 T C 2.200 177.050 174.700 0.250 0.000 1.039 403 T CA 1.098 63.305 62.100 0.179 0.000 1.142 403 T CB -0.248 68.601 68.868 -0.032 0.000 0.866 403 T HN 0.100 nan 8.240 nan 0.000 0.444 404 L N 1.561 122.938 121.223 0.257 0.000 1.989 404 L HA -0.006 4.327 4.340 -0.011 0.000 0.211 404 L C 2.273 179.391 176.870 0.413 0.000 1.071 404 L CA 1.759 56.816 54.840 0.361 0.000 0.749 404 L CB -1.589 40.694 42.059 0.374 0.000 0.890 404 L HN 0.264 nan 8.230 nan 0.000 0.431 405 L N -0.325 121.133 121.223 0.392 0.000 1.970 405 L HA -0.234 4.099 4.340 -0.011 0.000 0.212 405 L C 2.437 179.467 176.870 0.267 0.000 1.071 405 L CA 2.135 57.152 54.840 0.296 0.000 0.751 405 L CB -0.625 41.554 42.059 0.201 0.000 0.889 405 L HN 0.225 nan 8.230 nan 0.000 0.432 406 M N -0.964 118.771 119.600 0.224 0.000 2.175 406 M HA -0.128 4.345 4.480 -0.011 0.000 0.264 406 M C 2.617 178.841 176.300 -0.128 0.000 1.063 406 M CA 1.780 57.033 55.300 -0.078 0.000 1.119 406 M CB -1.772 30.837 32.600 0.015 0.000 1.377 406 M HN 0.517 nan 8.290 nan 0.000 0.415 407 S N 0.636 116.525 115.700 0.314 0.000 2.368 407 S HA -0.077 4.386 4.470 -0.011 0.000 0.225 407 S C 1.852 176.709 174.600 0.429 0.000 1.030 407 S CA 0.896 59.434 58.200 0.562 0.000 0.999 407 S CB 0.028 63.721 63.200 0.821 0.000 0.844 407 S HN 0.277 nan 8.310 nan 0.000 0.459 408 I N 1.509 122.247 120.570 0.280 0.000 2.353 408 I HA -0.067 4.096 4.170 -0.011 0.000 0.248 408 I C 2.470 178.562 176.117 -0.042 0.000 1.119 408 I CA 1.264 62.561 61.300 -0.005 0.000 1.417 408 I CB -2.119 35.682 38.000 -0.333 0.000 1.078 408 I HN 0.301 nan 8.210 nan 0.000 0.421 409 T N 0.827 115.412 114.554 0.051 0.000 2.720 409 T HA -0.209 4.134 4.350 -0.011 0.000 0.268 409 T C 1.880 176.659 174.700 0.131 0.000 1.037 409 T CA 1.656 63.832 62.100 0.127 0.000 1.144 409 T CB -0.337 68.575 68.868 0.072 0.000 0.864 409 T HN 0.178 nan 8.240 nan 0.000 0.444 410 Y N 0.811 121.249 120.300 0.229 0.000 2.200 410 Y HA 0.080 4.623 4.550 -0.011 0.000 0.290 410 Y C 2.172 178.149 175.900 0.128 0.000 1.137 410 Y CA -0.168 58.049 58.100 0.194 0.000 1.163 410 Y CB -1.125 37.457 38.460 0.203 0.000 0.988 410 Y HN 0.109 nan 8.280 nan 0.000 0.518 411 L N -0.391 120.967 121.223 0.226 0.000 2.042 411 L HA -0.153 4.180 4.340 -0.011 0.000 0.210 411 L C 2.146 178.994 176.870 -0.037 0.000 1.076 411 L CA 1.505 56.313 54.840 -0.053 0.000 0.749 411 L CB -0.980 40.894 42.059 -0.307 0.000 0.893 411 L HN 0.047 nan 8.230 nan 0.000 0.432 412 V N -0.415 119.506 119.914 0.011 0.000 2.407 412 V HA -0.340 3.773 4.120 -0.011 0.000 0.248 412 V C 2.633 178.793 176.094 0.111 0.000 1.055 412 V CA 2.173 64.493 62.300 0.034 0.000 1.049 412 V CB -0.527 31.362 31.823 0.109 0.000 0.662 412 V HN 0.586 nan 8.190 nan 0.000 0.455 413 M N -0.692 119.034 119.600 0.209 0.000 2.117 413 M HA -0.270 4.203 4.480 -0.011 0.000 0.262 413 M C 2.371 178.877 176.300 0.344 0.000 1.065 413 M CA 1.928 57.423 55.300 0.325 0.000 1.114 413 M CB -0.148 32.664 32.600 0.354 0.000 1.361 413 M HN 0.367 nan 8.290 nan 0.000 0.408 414 Q N -0.035 119.918 119.800 0.255 0.000 2.084 414 Q HA -0.167 4.167 4.340 -0.011 0.000 0.202 414 Q C 2.050 178.155 176.000 0.173 0.000 0.978 414 Q CA 1.525 57.490 55.803 0.270 0.000 0.844 414 Q CB -0.224 28.564 28.738 0.084 0.000 0.898 414 Q HN 0.545 nan 8.270 nan 0.000 0.426 415 L N 0.706 121.955 121.223 0.043 0.000 1.994 415 L HA -0.232 4.101 4.340 -0.011 0.000 0.208 415 L C 1.945 178.793 176.870 -0.036 0.000 1.071 415 L CA 1.085 55.897 54.840 -0.047 0.000 0.745 415 L CB -0.479 41.506 42.059 -0.124 0.000 0.892 415 L HN 0.204 nan 8.230 nan 0.000 0.431 416 D N -0.920 119.452 120.400 -0.046 0.000 2.104 416 D HA -0.176 4.457 4.640 -0.011 0.000 0.194 416 D C 2.020 178.172 176.300 -0.247 0.000 0.994 416 D CA 1.404 55.290 54.000 -0.189 0.000 0.830 416 D CB -0.139 40.471 40.800 -0.317 0.000 0.959 416 D HN 0.446 nan 8.370 nan 0.000 0.452 417 H N -1.638 117.482 119.070 0.083 0.000 2.622 417 H HA 0.173 4.722 4.556 -0.011 0.000 0.269 417 H C 1.431 176.821 175.328 0.102 0.000 0.977 417 H CA 1.272 57.372 56.048 0.087 0.000 1.179 417 H CB 0.962 30.782 29.762 0.096 0.000 1.458 417 H HN 0.257 nan 8.280 nan 0.000 0.531 418 T N -3.517 111.183 114.554 0.242 0.000 3.100 418 T HA 0.340 4.683 4.350 -0.011 0.000 0.255 418 T C 1.068 175.913 174.700 0.242 0.000 0.893 418 T CA 0.289 62.540 62.100 0.252 0.000 0.882 418 T CB 0.129 69.240 68.868 0.407 0.000 1.266 418 T HN 0.133 nan 8.240 nan 0.000 0.528 419 A N 2.619 125.508 122.820 0.114 0.000 3.105 419 A HA 0.606 4.920 4.320 -0.011 0.000 0.297 419 A C -1.392 176.016 177.584 -0.293 0.000 0.977 419 A CA -1.069 50.877 52.037 -0.151 0.000 1.020 419 A CB 0.439 19.300 19.000 -0.232 0.000 1.098 419 A HN 0.321 nan 8.150 nan 0.000 0.497 420 P HA -0.240 nan 4.420 nan 0.000 0.219 420 P C 1.045 178.293 177.300 -0.086 0.000 1.146 420 P CA 1.423 64.479 63.100 -0.074 0.000 0.808 420 P CB -0.358 31.343 31.700 0.002 0.000 0.779 421 H N -0.589 118.469 119.070 -0.021 0.000 2.543 421 H HA 0.033 4.583 4.556 -0.011 0.000 0.286 421 H C 1.659 176.958 175.328 -0.050 0.000 1.037 421 H CA 0.526 56.560 56.048 -0.023 0.000 1.250 421 H CB -1.094 28.671 29.762 0.006 0.000 1.373 421 H HN 0.221 nan 8.280 nan 0.000 0.580 422 L N 0.333 121.329 121.223 -0.379 0.000 2.529 422 L HA 0.014 4.347 4.340 -0.011 0.000 0.223 422 L C 1.724 178.354 176.870 -0.400 0.000 1.113 422 L CA -0.060 54.572 54.840 -0.346 0.000 0.861 422 L CB -0.164 41.657 42.059 -0.397 0.000 1.012 422 L HN 0.097 nan 8.230 nan 0.000 0.461 423 N N 0.605 119.124 118.700 -0.302 0.000 2.149 423 N HA -0.180 4.553 4.740 -0.011 0.000 0.188 423 N C 2.043 177.414 175.510 -0.231 0.000 1.019 423 N CA 1.816 54.700 53.050 -0.276 0.000 0.857 423 N CB -0.244 38.135 38.487 -0.180 0.000 0.997 423 N HN 0.360 nan 8.380 nan 0.000 0.426 424 S N 0.574 116.178 115.700 -0.160 0.000 2.500 424 S HA -0.006 4.457 4.470 -0.011 0.000 0.239 424 S C 1.494 176.018 174.600 -0.126 0.000 0.989 424 S CA 0.440 58.573 58.200 -0.112 0.000 0.951 424 S CB -0.091 63.074 63.200 -0.060 0.000 0.759 424 S HN 0.260 nan 8.310 nan 0.000 0.523 425 R N 0.611 120.992 120.500 -0.199 0.000 2.299 425 R HA 0.315 4.649 4.340 -0.011 0.000 0.197 425 R C 0.058 176.240 176.300 -0.197 0.000 0.971 425 R CA 0.356 56.354 56.100 -0.170 0.000 1.030 425 R CB -0.268 29.919 30.300 -0.188 0.000 0.932 425 R HN 0.505 nan 8.270 nan 0.000 0.477 426 I N 1.262 121.681 120.570 -0.252 0.000 2.503 426 I HA 0.174 4.337 4.170 -0.011 0.000 0.277 426 I C 0.716 176.757 176.117 -0.126 0.000 1.078 426 I CA -0.096 61.084 61.300 -0.201 0.000 1.184 426 I CB 1.215 39.038 38.000 -0.295 0.000 1.353 426 I HN -0.141 nan 8.210 nan 0.000 0.490 427 K N 2.241 122.594 120.400 -0.080 0.000 2.365 427 K HA 0.151 4.464 4.320 -0.011 0.000 0.195 427 K C -0.307 176.269 176.600 -0.039 0.000 1.079 427 K CA 0.367 56.620 56.287 -0.057 0.000 0.979 427 K CB 0.490 32.964 32.500 -0.042 0.000 0.929 427 K HN 0.643 nan 8.250 nan 0.000 0.523 428 D N -2.275 118.106 120.400 -0.032 0.000 2.838 428 D HA 0.098 4.732 4.640 -0.011 0.000 0.334 428 D C 0.641 176.933 176.300 -0.013 0.000 1.315 428 D CA -0.702 53.286 54.000 -0.019 0.000 0.917 428 D CB 0.082 40.876 40.800 -0.011 0.000 1.435 428 D HN -0.366 nan 8.370 nan 0.000 0.517 429 M N -0.706 118.892 119.600 -0.003 0.000 2.086 429 M HA 0.039 4.512 4.480 -0.011 0.000 0.261 429 M C -1.009 175.296 176.300 0.009 0.000 1.067 429 M CA 1.607 56.909 55.300 0.003 0.000 1.116 429 M CB -2.297 30.310 32.600 0.011 0.000 1.348 429 M HN 0.348 nan 8.290 nan 0.000 0.407 430 P HA -0.112 nan 4.420 nan 0.000 0.215 430 P C 1.688 179.003 177.300 0.025 0.000 1.157 430 P CA 2.152 65.264 63.100 0.021 0.000 0.868 430 P CB -0.235 31.477 31.700 0.019 0.000 0.788 431 S N -0.756 114.954 115.700 0.018 0.000 2.402 431 S HA -0.063 4.400 4.470 -0.011 0.000 0.229 431 S C 2.101 176.726 174.600 0.041 0.000 1.021 431 S CA 1.032 59.248 58.200 0.027 0.000 0.974 431 S CB -1.427 61.775 63.200 0.004 0.000 0.800 431 S HN 0.103 nan 8.310 nan 0.000 0.484 432 A N 1.158 123.985 122.820 0.012 0.000 1.877 432 A HA -0.062 4.251 4.320 -0.011 0.000 0.216 432 A C 2.505 180.099 177.584 0.016 0.000 1.186 432 A CA 1.508 53.549 52.037 0.007 0.000 0.620 432 A CB -1.554 17.427 19.000 -0.031 0.000 0.822 432 A HN 0.683 nan 8.150 nan 0.000 0.443 433 C N -1.029 118.272 119.300 0.002 0.000 2.413 433 C HA -0.089 4.364 4.460 -0.011 0.000 0.276 433 C C 2.885 177.881 174.990 0.009 0.000 1.248 433 C CA 1.150 60.163 59.018 -0.009 0.000 1.742 433 C CB -1.352 26.401 27.740 0.023 0.000 2.017 433 C HN 0.587 nan 8.230 nan 0.000 0.481 434 R N -0.536 119.993 120.500 0.047 0.000 2.075 434 R HA -0.117 4.216 4.340 -0.011 0.000 0.232 434 R C 2.099 178.435 176.300 0.061 0.000 1.126 434 R CA 1.637 57.774 56.100 0.063 0.000 0.963 434 R CB -0.546 29.798 30.300 0.074 0.000 0.858 434 R HN 0.604 nan 8.270 nan 0.000 0.435 435 F N 1.252 121.170 119.950 -0.052 0.000 2.113 435 F HA -0.177 4.343 4.527 -0.011 0.000 0.297 435 F C 1.996 177.735 175.800 -0.102 0.000 1.103 435 F CA 1.133 59.093 58.000 -0.068 0.000 1.248 435 F CB -0.324 38.612 39.000 -0.106 0.000 0.999 435 F HN -0.080 nan 8.300 nan 0.000 0.475 436 L N 0.971 122.049 121.223 -0.242 0.000 2.046 436 L HA -0.178 4.155 4.340 -0.011 0.000 0.208 436 L C 2.006 178.593 176.870 -0.472 0.000 1.077 436 L CA 2.431 56.962 54.840 -0.515 0.000 0.747 436 L CB -1.270 40.420 42.059 -0.615 0.000 0.896 436 L HN 0.333 nan 8.230 nan 0.000 0.432 437 D N -1.650 118.615 120.400 -0.225 0.000 2.104 437 D HA -0.254 4.379 4.640 -0.011 0.000 0.194 437 D C 2.294 178.631 176.300 0.061 0.000 0.994 437 D CA 1.567 55.593 54.000 0.044 0.000 0.830 437 D CB -0.120 40.778 40.800 0.164 0.000 0.959 437 D HN 0.391 nan 8.370 nan 0.000 0.452 438 S N -1.836 113.822 115.700 -0.070 0.000 2.368 438 S HA -0.209 4.255 4.470 -0.011 0.000 0.224 438 S C 2.000 176.478 174.600 -0.203 0.000 1.029 438 S CA 1.038 59.191 58.200 -0.078 0.000 0.988 438 S CB -0.801 62.359 63.200 -0.066 0.000 0.838 438 S HN 0.545 nan 8.310 nan 0.000 0.462 439 Y N 0.331 120.330 120.300 -0.503 0.000 2.181 439 Y HA -0.129 4.414 4.550 -0.011 0.000 0.288 439 Y C 1.842 177.634 175.900 -0.179 0.000 1.146 439 Y CA 2.044 59.859 58.100 -0.475 0.000 1.164 439 Y CB -0.402 37.625 38.460 -0.722 0.000 0.982 439 Y HN 0.356 nan 8.280 nan 0.000 0.515 440 W N 1.025 122.137 121.300 -0.312 0.000 2.465 440 W HA -0.069 4.584 4.660 -0.011 0.000 0.268 440 W C 1.748 178.153 176.519 -0.191 0.000 1.242 440 W CA 0.977 58.121 57.345 -0.334 0.000 1.248 440 W CB -0.693 28.526 29.460 -0.402 0.000 1.118 440 W HN 0.316 nan 8.180 nan 0.000 0.587 441 Q N -0.663 119.097 119.800 -0.066 0.000 2.320 441 Q HA 0.205 4.538 4.340 -0.011 0.000 0.201 441 Q C 1.535 177.080 176.000 -0.757 0.000 0.910 441 Q CA 0.597 56.207 55.803 -0.320 0.000 0.946 441 Q CB 0.007 28.393 28.738 -0.587 0.000 1.062 441 Q HN 0.250 nan 8.270 nan 0.000 0.503 442 G N 0.856 109.162 108.800 -0.823 0.000 2.160 442 G HA2 -0.309 3.644 3.960 -0.011 0.000 0.251 442 G HA3 -0.309 3.644 3.960 -0.011 0.000 0.251 442 G C 0.140 174.711 174.900 -0.548 0.000 1.008 442 G CA 0.467 44.842 45.100 -1.208 0.000 0.724 442 G HN 0.635 nan 8.290 nan 0.000 0.514 443 H N -0.240 118.630 119.070 -0.332 0.000 2.539 443 H HA 0.197 4.747 4.556 -0.011 0.000 0.267 443 H C 0.966 176.214 175.328 -0.134 0.000 0.982 443 H CA 0.192 56.128 56.048 -0.188 0.000 1.146 443 H CB 0.493 30.185 29.762 -0.116 0.000 1.382 443 H HN 0.390 nan 8.280 nan 0.000 0.577 444 E N 0.768 120.932 120.200 -0.060 0.000 2.243 444 E HA 0.003 4.346 4.350 -0.011 0.000 0.260 444 E C 0.904 177.491 176.600 -0.022 0.000 0.985 444 E CA -0.241 56.155 56.400 -0.006 0.000 0.858 444 E CB 1.155 30.868 29.700 0.021 0.000 1.210 444 E HN 0.535 nan 8.360 nan 0.000 0.411 445 E N 0.306 120.528 120.200 0.037 0.000 2.347 445 E HA -0.060 4.283 4.350 -0.011 0.000 0.196 445 E C 0.774 177.324 176.600 -0.084 0.000 1.008 445 E CA 0.639 57.056 56.400 0.029 0.000 0.852 445 E CB -0.364 29.410 29.700 0.123 0.000 0.783 445 E HN 0.412 nan 8.360 nan 0.000 0.505 446 I N -1.023 119.475 120.570 -0.118 0.000 2.412 446 I HA 0.572 4.735 4.170 -0.011 0.000 0.296 446 I C -0.207 175.714 176.117 -0.327 0.000 0.987 446 I CA -1.241 59.835 61.300 -0.374 0.000 1.180 446 I CB 1.649 39.493 38.000 -0.259 0.000 1.340 446 I HN -0.150 nan 8.210 nan 0.000 0.455 447 R N 3.713 123.820 120.500 -0.655 0.000 2.846 447 R HA 0.677 5.010 4.340 -0.011 0.000 0.263 447 R C -1.505 174.414 176.300 -0.635 0.000 1.080 447 R CA -0.969 54.751 56.100 -0.634 0.000 0.961 447 R CB 2.360 32.381 30.300 -0.466 0.000 1.231 447 R HN 0.847 nan 8.270 nan 0.000 0.465 448 Q N 0.612 120.204 119.800 -0.348 0.000 2.527 448 Q HA 0.530 4.863 4.340 -0.011 0.000 0.280 448 Q C -1.523 174.459 176.000 -0.030 0.000 0.977 448 Q CA -0.970 54.719 55.803 -0.191 0.000 0.837 448 Q CB 1.740 30.424 28.738 -0.090 0.000 1.454 448 Q HN 0.634 nan 8.270 nan 0.000 0.387 449 I N -0.300 120.212 120.570 -0.097 0.000 2.498 449 I HA 0.904 5.067 4.170 -0.011 0.000 0.290 449 I C -0.847 175.081 176.117 -0.314 0.000 1.032 449 I CA -0.624 60.546 61.300 -0.217 0.000 1.073 449 I CB 2.163 39.869 38.000 -0.489 0.000 1.251 449 I HN 0.894 nan 8.210 nan 0.000 0.426 450 S N 4.007 119.814 115.700 0.177 0.000 2.615 450 S HA 0.714 5.177 4.470 -0.011 0.000 0.269 450 S C -1.120 173.904 174.600 0.707 0.000 1.161 450 S CA -0.925 57.545 58.200 0.451 0.000 0.817 450 S CB 2.320 65.797 63.200 0.462 0.000 1.131 450 S HN 0.919 nan 8.310 nan 0.000 0.467 451 K N 0.966 121.699 120.400 0.556 0.000 2.635 451 K HA 0.554 4.868 4.320 -0.011 0.000 0.266 451 K C -0.008 176.746 176.600 0.258 0.000 1.033 451 K CA 0.134 56.658 56.287 0.396 0.000 0.919 451 K CB 0.980 33.641 32.500 0.269 0.000 1.289 451 K HN 0.927 nan 8.250 nan 0.000 0.463 452 S N 1.799 117.623 115.700 0.205 0.000 4.112 452 S HA -0.285 4.179 4.470 -0.011 0.000 0.602 452 S C 0.451 175.098 174.600 0.079 0.000 1.939 452 S CA 1.775 60.005 58.200 0.049 0.000 4.230 452 S CB -1.030 62.131 63.200 -0.065 0.000 0.245 452 S HN 1.012 nan 8.310 nan 0.000 0.530 453 D N 1.973 122.345 120.400 -0.048 0.000 2.325 453 D HA 0.313 4.947 4.640 -0.011 0.000 0.225 453 D C -0.195 176.246 176.300 0.236 0.000 1.096 453 D CA 0.160 54.226 54.000 0.110 0.000 0.844 453 D CB -0.286 40.531 40.800 0.028 0.000 0.925 453 D HN 0.339 nan 8.370 nan 0.000 0.513 454 D N 0.125 120.673 120.400 0.247 0.000 2.362 454 D HA 0.670 5.304 4.640 -0.011 0.000 0.247 454 D C -1.139 175.421 176.300 0.433 0.000 1.050 454 D CA -0.680 53.484 54.000 0.274 0.000 0.839 454 D CB 1.919 42.794 40.800 0.126 0.000 1.283 454 D HN 0.159 nan 8.370 nan 0.000 0.477 455 A N 2.719 125.722 122.820 0.305 0.000 2.567 455 A HA 0.641 4.954 4.320 -0.011 0.000 0.291 455 A C -1.524 175.945 177.584 -0.192 0.000 1.048 455 A CA -0.693 51.331 52.037 -0.023 0.000 0.661 455 A CB 1.177 19.954 19.000 -0.370 0.000 1.288 455 A HN 0.486 nan 8.150 nan 0.000 0.424 456 M N 1.577 120.957 119.600 -0.367 0.000 2.327 456 M HA 0.480 4.954 4.480 -0.011 0.000 0.298 456 M C -1.410 174.831 176.300 -0.098 0.000 1.065 456 M CA -0.246 54.985 55.300 -0.116 0.000 0.916 456 M CB 1.874 34.470 32.600 -0.006 0.000 1.630 456 M HN 0.577 nan 8.290 nan 0.000 0.442 457 L N 2.154 123.292 121.223 -0.142 0.000 2.307 457 L HA 0.831 5.165 4.340 -0.011 0.000 0.284 457 L C 0.375 176.832 176.870 -0.688 0.000 1.023 457 L CA -0.684 53.905 54.840 -0.418 0.000 0.810 457 L CB 1.639 43.526 42.059 -0.287 0.000 1.231 457 L HN 0.804 nan 8.230 nan 0.000 0.423 458 G N 1.890 109.786 108.800 -1.506 0.000 2.473 458 G HA2 0.620 4.573 3.960 -0.011 0.000 0.321 458 G HA3 0.620 4.573 3.960 -0.011 0.000 0.321 458 G C -1.895 172.207 174.900 -1.330 0.000 1.200 458 G CA -0.345 43.717 45.100 -1.731 0.000 0.963 458 G HN 0.482 nan 8.290 nan 0.000 0.483 459 W N 1.390 122.374 121.300 -0.527 0.000 2.900 459 W HA 0.358 5.011 4.660 -0.011 0.000 0.336 459 W C 0.396 176.849 176.519 -0.110 0.000 1.064 459 W CA -0.609 56.592 57.345 -0.242 0.000 1.237 459 W CB 2.203 31.578 29.460 -0.143 0.000 1.391 459 W HN 0.842 nan 8.180 nan 0.000 0.468 460 T N -0.299 114.316 114.554 0.103 0.000 2.891 460 T HA 0.402 4.746 4.350 -0.011 0.000 0.294 460 T C 0.436 175.243 174.700 0.178 0.000 1.065 460 T CA -0.680 61.514 62.100 0.157 0.000 0.936 460 T CB 1.127 70.066 68.868 0.119 0.000 1.415 460 T HN 0.027 nan 8.240 nan 0.000 0.572 461 K N 0.746 121.236 120.400 0.149 0.000 2.295 461 K HA 0.632 4.945 4.320 -0.011 0.000 0.270 461 K C 0.585 177.260 176.600 0.124 0.000 1.011 461 K CA 0.254 56.620 56.287 0.132 0.000 0.953 461 K CB 0.597 33.158 32.500 0.102 0.000 0.956 461 K HN 1.102 nan 8.250 nan 0.000 0.477 462 G N 0.791 109.662 108.800 0.118 0.000 2.356 462 G HA2 -0.023 3.930 3.960 -0.011 0.000 0.288 462 G HA3 -0.023 3.930 3.960 -0.011 0.000 0.288 462 G C 0.186 175.141 174.900 0.092 0.000 1.302 462 G CA -0.828 44.334 45.100 0.104 0.000 0.887 462 G HN 0.454 nan 8.290 nan 0.000 0.521 463 R N -0.327 120.197 120.500 0.039 0.000 2.115 463 R HA 0.041 4.374 4.340 -0.011 0.000 0.230 463 R C 2.817 179.190 176.300 0.121 0.000 1.111 463 R CA 1.792 57.863 56.100 -0.050 0.000 0.976 463 R CB -0.247 29.787 30.300 -0.443 0.000 0.870 463 R HN 0.563 nan 8.270 nan 0.000 0.445 464 A N 0.832 123.840 122.820 0.314 0.000 2.016 464 A HA -0.083 4.230 4.320 -0.011 0.000 0.217 464 A C 1.934 179.686 177.584 0.281 0.000 1.162 464 A CA 0.444 52.732 52.037 0.419 0.000 0.662 464 A CB -0.241 19.081 19.000 0.537 0.000 0.812 464 A HN 0.195 nan 8.150 nan 0.000 0.450 465 L N 0.042 121.407 121.223 0.237 0.000 2.021 465 L HA -0.183 4.151 4.340 -0.011 0.000 0.215 465 L C 2.419 179.293 176.870 0.005 0.000 1.074 465 L CA 2.374 57.272 54.840 0.096 0.000 0.760 465 L CB -0.834 41.323 42.059 0.163 0.000 0.889 465 L HN 0.223 nan 8.230 nan 0.000 0.433 466 V N -0.201 119.757 119.914 0.073 0.000 2.332 466 V HA -0.205 3.908 4.120 -0.011 0.000 0.248 466 V C 2.379 178.481 176.094 0.013 0.000 1.055 466 V CA 2.102 64.445 62.300 0.071 0.000 1.038 466 V CB -0.878 30.973 31.823 0.046 0.000 0.651 466 V HN 0.631 nan 8.190 nan 0.000 0.450 467 G N -0.944 107.851 108.800 -0.009 0.000 2.422 467 G HA2 -0.089 3.865 3.960 -0.011 0.000 0.218 467 G HA3 -0.089 3.865 3.960 -0.011 0.000 0.218 467 G C 1.568 176.337 174.900 -0.218 0.000 1.140 467 G CA 0.737 45.825 45.100 -0.021 0.000 0.775 467 G HN 0.694 nan 8.290 nan 0.000 0.545 468 G N 0.031 108.468 108.800 -0.605 0.000 2.446 468 G HA2 -0.252 3.701 3.960 -0.011 0.000 0.217 468 G HA3 -0.252 3.701 3.960 -0.011 0.000 0.217 468 G C 1.627 176.020 174.900 -0.845 0.000 1.168 468 G CA 1.058 45.274 45.100 -1.474 0.000 0.771 468 G HN 0.487 nan 8.290 nan 0.000 0.551 469 H N 0.453 119.283 119.070 -0.400 0.000 2.353 469 H HA 0.035 4.584 4.556 -0.011 0.000 0.300 469 H C 2.864 178.139 175.328 -0.089 0.000 1.090 469 H CA 1.204 57.151 56.048 -0.169 0.000 1.327 469 H CB 0.018 29.706 29.762 -0.122 0.000 1.383 469 H HN 0.307 nan 8.280 nan 0.000 0.508 470 R N 0.148 120.654 120.500 0.010 0.000 2.096 470 R HA -0.116 4.217 4.340 -0.011 0.000 0.235 470 R C 2.371 178.675 176.300 0.006 0.000 1.127 470 R CA 0.802 56.915 56.100 0.021 0.000 0.968 470 R CB -0.311 30.006 30.300 0.029 0.000 0.861 470 R HN 0.130 nan 8.270 nan 0.000 0.440 471 L N 0.373 121.565 121.223 -0.052 0.000 2.027 471 L HA -0.152 4.182 4.340 -0.011 0.000 0.206 471 L C 2.027 178.929 176.870 0.054 0.000 1.074 471 L CA 1.664 56.468 54.840 -0.060 0.000 0.745 471 L CB -0.813 41.190 42.059 -0.093 0.000 0.898 471 L HN 0.020 nan 8.230 nan 0.000 0.433 472 F N 0.992 120.851 119.950 -0.153 0.000 2.065 472 F HA -0.245 4.275 4.527 -0.011 0.000 0.298 472 F C 2.577 178.383 175.800 0.010 0.000 1.112 472 F CA 2.027 59.987 58.000 -0.067 0.000 1.212 472 F CB -0.791 38.134 39.000 -0.124 0.000 0.975 472 F HN 0.309 nan 8.300 nan 0.000 0.476 473 E N 0.258 120.532 120.200 0.125 0.000 2.085 473 E HA -0.279 4.064 4.350 -0.011 0.000 0.194 473 E C 2.405 179.009 176.600 0.007 0.000 0.994 473 E CA 1.762 58.178 56.400 0.026 0.000 0.801 473 E CB -0.606 29.115 29.700 0.035 0.000 0.743 473 E HN 0.514 nan 8.360 nan 0.000 0.453 474 M N -0.534 119.085 119.600 0.032 0.000 2.117 474 M HA -0.170 4.303 4.480 -0.011 0.000 0.262 474 M C 1.842 178.175 176.300 0.056 0.000 1.065 474 M CA 1.432 56.744 55.300 0.020 0.000 1.114 474 M CB -0.066 32.520 32.600 -0.023 0.000 1.361 474 M HN 0.198 nan 8.290 nan 0.000 0.408 475 L N 0.148 121.441 121.223 0.117 0.000 2.017 475 L HA -0.237 4.096 4.340 -0.011 0.000 0.208 475 L C 2.625 179.630 176.870 0.225 0.000 1.073 475 L CA 1.651 56.630 54.840 0.232 0.000 0.745 475 L CB -0.792 41.484 42.059 0.361 0.000 0.894 475 L HN 0.372 nan 8.230 nan 0.000 0.432 476 K N 0.501 120.879 120.400 -0.037 0.000 2.044 476 K HA -0.234 4.079 4.320 -0.011 0.000 0.210 476 K C 1.891 178.450 176.600 -0.069 0.000 1.049 476 K CA 1.766 57.877 56.287 -0.294 0.000 0.927 476 K CB -0.029 32.082 32.500 -0.648 0.000 0.713 476 K HN 0.347 nan 8.250 nan 0.000 0.443 477 E N -0.709 119.462 120.200 -0.048 0.000 2.204 477 E HA -0.102 4.242 4.350 -0.011 0.000 0.195 477 E C 0.976 177.602 176.600 0.042 0.000 0.990 477 E CA 0.641 57.031 56.400 -0.016 0.000 0.821 477 E CB -0.181 29.510 29.700 -0.015 0.000 0.750 477 E HN 0.635 nan 8.360 nan 0.000 0.477 478 G N 1.678 110.533 108.800 0.091 0.000 2.321 478 G HA2 -0.350 3.603 3.960 -0.011 0.000 0.287 478 G HA3 -0.350 3.603 3.960 -0.011 0.000 0.287 478 G C 0.644 175.582 174.900 0.064 0.000 1.018 478 G CA 1.268 46.432 45.100 0.107 0.000 0.855 478 G HN 0.297 nan 8.290 nan 0.000 0.507 479 K N -1.565 118.863 120.400 0.047 0.000 2.335 479 K HA 0.363 4.677 4.320 -0.011 0.000 0.195 479 K C 0.656 177.277 176.600 0.036 0.000 1.058 479 K CA 0.575 56.883 56.287 0.035 0.000 0.988 479 K CB 1.088 33.603 32.500 0.026 0.000 0.880 479 K HN 0.283 nan 8.250 nan 0.000 0.513 480 V N 2.233 122.171 119.914 0.040 0.000 2.540 480 V HA 0.173 4.286 4.120 -0.011 0.000 0.302 480 V C -0.779 175.342 176.094 0.045 0.000 1.035 480 V CA -1.335 60.990 62.300 0.041 0.000 0.873 480 V CB 1.518 33.368 31.823 0.046 0.000 0.992 480 V HN 0.150 nan 8.190 nan 0.000 0.428 481 N N 6.757 125.482 118.700 0.042 0.000 2.452 481 N HA 0.212 4.946 4.740 -0.011 0.000 0.266 481 N C -1.041 174.507 175.510 0.062 0.000 1.175 481 N CA -1.608 51.468 53.050 0.044 0.000 0.945 481 N CB 1.293 39.793 38.487 0.021 0.000 1.063 481 N HN 0.413 nan 8.380 nan 0.000 0.472 482 P HA -0.010 nan 4.420 nan 0.000 0.242 482 P C -0.343 177.094 177.300 0.229 0.000 1.197 482 P CA 0.376 63.525 63.100 0.081 0.000 0.765 482 P CB 0.416 32.064 31.700 -0.088 0.000 0.936 483 S N 0.710 116.485 115.700 0.125 0.000 2.542 483 S HA 0.511 4.974 4.470 -0.011 0.000 0.293 483 S C -2.234 172.331 174.600 -0.058 0.000 1.089 483 S CA -1.767 56.477 58.200 0.073 0.000 0.961 483 S CB 1.927 65.203 63.200 0.127 0.000 1.062 483 S HN -0.168 nan 8.310 nan 0.000 0.483 484 P HA 0.143 nan 4.420 nan 0.000 0.251 484 P C 0.143 177.240 177.300 -0.337 0.000 1.223 484 P CA 0.368 63.253 63.100 -0.358 0.000 0.796 484 P CB 0.029 31.402 31.700 -0.545 0.000 1.068 485 Y N -0.946 119.428 120.300 0.123 0.000 2.441 485 Y HA 0.291 4.834 4.550 -0.011 0.000 0.288 485 Y C 1.635 177.555 175.900 0.034 0.000 1.118 485 Y CA 0.441 58.630 58.100 0.148 0.000 1.215 485 Y CB -0.032 38.573 38.460 0.242 0.000 1.118 485 Y HN -0.150 nan 8.280 nan 0.000 0.547 486 M N -0.301 119.370 119.600 0.118 0.000 2.664 486 M HA 0.315 4.789 4.480 -0.011 0.000 0.279 486 M C -0.974 175.271 176.300 -0.092 0.000 1.275 486 M CA -1.017 54.258 55.300 -0.042 0.000 0.829 486 M CB 1.847 34.474 32.600 0.044 0.000 1.727 486 M HN -0.294 nan 8.290 nan 0.000 0.459 487 K N 2.318 122.583 120.400 -0.224 0.000 2.273 487 K HA 0.489 4.803 4.320 -0.011 0.000 0.287 487 K C -0.606 176.000 176.600 0.009 0.000 1.089 487 K CA -0.136 56.071 56.287 -0.133 0.000 0.909 487 K CB 0.042 32.415 32.500 -0.211 0.000 1.123 487 K HN 0.469 nan 8.250 nan 0.000 0.473 488 I N 1.924 122.536 120.570 0.070 0.000 2.412 488 I HA 0.284 4.447 4.170 -0.011 0.000 0.296 488 I C 0.832 177.028 176.117 0.132 0.000 0.987 488 I CA -0.429 60.959 61.300 0.147 0.000 1.180 488 I CB 1.458 39.582 38.000 0.207 0.000 1.340 488 I HN 0.546 nan 8.210 nan 0.000 0.455 489 S N 4.970 120.756 115.700 0.143 0.000 2.840 489 S HA 0.687 5.150 4.470 -0.011 0.000 0.307 489 S C -0.961 173.752 174.600 0.189 0.000 1.180 489 S CA -0.773 57.506 58.200 0.132 0.000 0.846 489 S CB 1.766 64.980 63.200 0.022 0.000 1.233 489 S HN 0.483 nan 8.310 nan 0.000 0.548 490 Y N 0.003 120.405 120.300 0.171 0.000 2.387 490 Y HA 0.724 5.267 4.550 -0.011 0.000 0.330 490 Y C -0.015 176.001 175.900 0.193 0.000 1.133 490 Y CA -0.979 57.241 58.100 0.200 0.000 1.152 490 Y CB 0.670 39.303 38.460 0.289 0.000 1.215 490 Y HN 0.883 nan 8.280 nan 0.000 0.466 491 E N 2.887 123.201 120.200 0.190 0.000 2.316 491 E HA -0.024 4.319 4.350 -0.011 0.000 0.275 491 E C -0.816 175.891 176.600 0.179 0.000 1.029 491 E CA -0.437 56.032 56.400 0.116 0.000 0.871 491 E CB 0.357 30.157 29.700 0.166 0.000 1.022 491 E HN 0.850 nan 8.360 nan 0.000 0.418 492 H N 4.227 123.295 119.070 -0.003 0.000 3.067 492 H HA 0.214 4.763 4.556 -0.011 0.000 0.265 492 H C -0.129 175.279 175.328 0.134 0.000 1.234 492 H CA 1.048 57.158 56.048 0.103 0.000 1.452 492 H CB -0.223 29.549 29.762 0.016 0.000 1.527 492 H HN 0.853 nan 8.280 nan 0.000 0.486 493 G N 3.775 112.562 108.800 -0.022 0.000 3.030 493 G HA2 -0.185 3.768 3.960 -0.011 0.000 0.233 493 G HA3 -0.185 3.768 3.960 -0.011 0.000 0.233 493 G C 0.469 175.444 174.900 0.125 0.000 1.091 493 G CA -0.382 44.731 45.100 0.020 0.000 1.113 493 G HN 0.924 nan 8.290 nan 0.000 0.556 494 G N -0.130 108.782 108.800 0.187 0.000 2.225 494 G HA2 0.650 4.604 3.960 -0.011 0.000 0.245 494 G HA3 0.650 4.604 3.960 -0.011 0.000 0.245 494 G C 0.515 175.544 174.900 0.214 0.000 1.249 494 G CA 0.949 46.184 45.100 0.224 0.000 0.919 494 G HN 1.996 nan 8.290 nan 0.000 0.486 495 A N 2.109 125.069 122.820 0.234 0.000 2.587 495 A HA 0.775 5.088 4.320 -0.011 0.000 0.293 495 A C -1.656 176.126 177.584 0.329 0.000 1.087 495 A CA -0.679 51.521 52.037 0.272 0.000 0.692 495 A CB 1.844 20.949 19.000 0.174 0.000 1.291 495 A HN 1.098 nan 8.150 nan 0.000 0.407 496 F N 1.910 121.938 119.950 0.130 0.000 2.536 496 F HA 0.578 5.098 4.527 -0.011 0.000 0.322 496 F C -0.202 175.513 175.800 -0.143 0.000 1.144 496 F CA -1.204 56.777 58.000 -0.031 0.000 0.924 496 F CB 1.345 40.286 39.000 -0.098 0.000 1.181 496 F HN 0.420 nan 8.300 nan 0.000 0.438 497 L N 6.218 126.990 121.223 -0.752 0.000 3.854 497 L HA -0.135 4.198 4.340 -0.011 0.000 0.460 497 L C 1.237 177.906 176.870 -0.335 0.000 1.228 497 L CA 1.499 55.968 54.840 -0.619 0.000 0.760 497 L CB -1.687 39.828 42.059 -0.906 0.000 1.597 497 L HN 1.212 nan 8.230 nan 0.000 0.852 498 G N -1.910 106.792 108.800 -0.163 0.000 2.304 498 G HA2 -0.261 3.692 3.960 -0.011 0.000 0.252 498 G HA3 -0.261 3.692 3.960 -0.011 0.000 0.252 498 G C 0.228 175.120 174.900 -0.013 0.000 1.014 498 G CA 0.305 45.364 45.100 -0.068 0.000 0.619 498 G HN 0.496 nan 8.290 nan 0.000 0.525 499 D N 0.842 121.223 120.400 -0.031 0.000 2.232 499 D HA 0.536 5.169 4.640 -0.011 0.000 0.242 499 D C 0.707 177.181 176.300 0.290 0.000 1.093 499 D CA -0.313 53.742 54.000 0.092 0.000 0.845 499 D CB 1.430 42.227 40.800 -0.006 0.000 1.124 499 D HN 0.322 nan 8.370 nan 0.000 0.467 500 I N 1.820 122.539 120.570 0.248 0.000 2.474 500 I HA 0.004 4.167 4.170 -0.011 0.000 0.287 500 I C 0.214 176.422 176.117 0.151 0.000 1.048 500 I CA -0.685 60.739 61.300 0.206 0.000 1.383 500 I CB 0.932 39.006 38.000 0.123 0.000 1.412 500 I HN 0.081 nan 8.210 nan 0.000 0.531 501 L N 7.955 129.168 121.223 -0.017 0.000 2.268 501 L HA 0.297 4.630 4.340 -0.011 0.000 0.289 501 L C -0.640 176.064 176.870 -0.276 0.000 1.064 501 L CA -0.201 54.346 54.840 -0.487 0.000 0.824 501 L CB 0.721 42.426 42.059 -0.590 0.000 1.202 501 L HN 0.407 nan 8.230 nan 0.000 0.433 502 L N 6.371 127.432 121.223 -0.269 0.000 2.261 502 L HA 0.404 4.737 4.340 -0.011 0.000 0.289 502 L C -0.926 175.861 176.870 -0.139 0.000 1.059 502 L CA 0.149 54.935 54.840 -0.089 0.000 0.816 502 L CB 0.168 42.209 42.059 -0.030 0.000 1.191 502 L HN 0.467 nan 8.230 nan 0.000 0.431 503 Y N 2.723 123.037 120.300 0.023 0.000 2.316 503 Y HA 0.348 4.891 4.550 -0.011 0.000 0.324 503 Y C 0.583 176.524 175.900 0.069 0.000 1.267 503 Y CA -0.358 57.761 58.100 0.032 0.000 1.311 503 Y CB 0.927 39.423 38.460 0.061 0.000 1.267 503 Y HN 0.755 nan 8.280 nan 0.000 0.516 504 D N -1.564 118.960 120.400 0.207 0.000 2.541 504 D HA 0.129 4.763 4.640 -0.011 0.000 0.276 504 D C 1.147 177.509 176.300 0.104 0.000 1.190 504 D CA 0.031 54.113 54.000 0.136 0.000 1.095 504 D CB -0.405 40.443 40.800 0.080 0.000 1.173 504 D HN 0.373 nan 8.370 nan 0.000 0.604 505 S N -1.152 114.579 115.700 0.051 0.000 2.419 505 S HA -0.152 4.312 4.470 -0.011 0.000 0.233 505 S C 1.790 176.389 174.600 -0.001 0.000 1.016 505 S CA 0.617 58.818 58.200 0.001 0.000 0.974 505 S CB -0.486 62.712 63.200 -0.003 0.000 0.786 505 S HN 0.398 nan 8.310 nan 0.000 0.492 506 R N 0.542 121.061 120.500 0.033 0.000 2.189 506 R HA 0.214 4.548 4.340 -0.011 0.000 0.218 506 R C 0.118 176.442 176.300 0.040 0.000 1.074 506 R CA 0.261 56.380 56.100 0.031 0.000 0.991 506 R CB -0.066 30.263 30.300 0.047 0.000 0.883 506 R HN 0.151 nan 8.270 nan 0.000 0.457 507 R N 1.279 121.831 120.500 0.088 0.000 3.333 507 R HA -0.167 4.167 4.340 -0.011 0.000 0.256 507 R C -1.242 175.143 176.300 0.142 0.000 1.010 507 R CA 0.978 57.109 56.100 0.051 0.000 0.680 507 R CB -2.332 27.881 30.300 -0.145 0.000 1.102 507 R HN 0.514 nan 8.270 nan 0.000 0.440 508 E N -0.779 119.614 120.200 0.322 0.000 2.293 508 E HA 0.263 4.606 4.350 -0.011 0.000 0.270 508 E C -1.963 174.811 176.600 0.289 0.000 0.879 508 E CA -2.265 54.306 56.400 0.285 0.000 0.756 508 E CB 1.783 31.576 29.700 0.155 0.000 1.208 508 E HN -0.245 nan 8.360 nan 0.000 0.428 509 P HA -0.213 nan 4.420 nan 0.000 0.216 509 P C 1.355 178.633 177.300 -0.036 0.000 1.153 509 P CA 1.557 64.690 63.100 0.055 0.000 0.858 509 P CB 0.122 31.915 31.700 0.155 0.000 0.789 510 G N -0.359 108.464 108.800 0.037 0.000 2.442 510 G HA2 -0.239 3.714 3.960 -0.011 0.000 0.219 510 G HA3 -0.239 3.714 3.960 -0.011 0.000 0.219 510 G C 1.246 176.134 174.900 -0.020 0.000 1.141 510 G CA 1.297 46.404 45.100 0.010 0.000 0.763 510 G HN 0.460 nan 8.290 nan 0.000 0.554 511 S N -0.651 115.044 115.700 -0.007 0.000 2.561 511 S HA 0.740 5.204 4.470 -0.011 0.000 0.245 511 S C 0.472 175.033 174.600 -0.066 0.000 1.001 511 S CA 0.126 58.315 58.200 -0.019 0.000 1.002 511 S CB 0.592 63.804 63.200 0.020 0.000 0.805 511 S HN 0.566 nan 8.310 nan 0.000 0.458 512 A N 1.881 124.597 122.820 -0.174 0.000 2.311 512 A HA 0.913 5.226 4.320 -0.011 0.000 0.334 512 A C -0.170 177.216 177.584 -0.331 0.000 1.139 512 A CA -1.123 50.706 52.037 -0.346 0.000 0.830 512 A CB 0.746 19.270 19.000 -0.794 0.000 1.234 512 A HN 0.923 nan 8.150 nan 0.000 0.483 513 I N -2.927 117.439 120.570 -0.340 0.000 2.865 513 I HA 0.676 4.839 4.170 -0.011 0.000 0.302 513 I C -1.480 174.456 176.117 -0.301 0.000 1.140 513 I CA -0.857 60.294 61.300 -0.249 0.000 1.021 513 I CB 2.079 40.016 38.000 -0.104 0.000 1.233 513 I HN 0.475 nan 8.210 nan 0.000 0.427 514 F N 4.038 123.921 119.950 -0.111 0.000 2.411 514 F HA 0.590 5.110 4.527 -0.011 0.000 0.350 514 F C 0.368 176.132 175.800 -0.060 0.000 1.114 514 F CA -0.482 57.468 58.000 -0.083 0.000 1.135 514 F CB 1.872 40.825 39.000 -0.080 0.000 1.120 514 F HN 0.414 nan 8.300 nan 0.000 0.495 515 V N 1.211 121.221 119.914 0.161 0.000 2.864 515 V HA 0.887 5.000 4.120 -0.011 0.000 0.314 515 V C 0.180 176.336 176.094 0.102 0.000 1.073 515 V CA -1.009 61.345 62.300 0.091 0.000 0.956 515 V CB 1.114 32.974 31.823 0.062 0.000 1.023 515 V HN 0.800 nan 8.190 nan 0.000 0.435 516 G N 1.200 110.034 108.800 0.057 0.000 2.614 516 G HA2 0.174 4.127 3.960 -0.011 0.000 0.239 516 G HA3 0.174 4.127 3.960 -0.011 0.000 0.239 516 G C -0.056 174.971 174.900 0.212 0.000 1.240 516 G CA -0.250 44.889 45.100 0.064 0.000 0.842 516 G HN 0.985 nan 8.290 nan 0.000 0.584 517 N N 1.005 119.862 118.700 0.262 0.000 2.415 517 N HA 0.052 4.786 4.740 -0.011 0.000 0.246 517 N C 1.236 176.930 175.510 0.306 0.000 1.078 517 N CA -0.725 52.468 53.050 0.237 0.000 0.942 517 N CB 1.008 39.597 38.487 0.170 0.000 1.140 517 N HN 0.251 nan 8.380 nan 0.000 0.501 518 I N 4.366 125.077 120.570 0.234 0.000 2.264 518 I HA -0.213 3.950 4.170 -0.011 0.000 0.248 518 I C 1.776 177.959 176.117 0.110 0.000 1.111 518 I CA 1.191 62.588 61.300 0.161 0.000 1.382 518 I CB -0.473 37.636 38.000 0.182 0.000 1.060 518 I HN 0.641 nan 8.210 nan 0.000 0.418 519 N N -0.378 118.400 118.700 0.131 0.000 2.223 519 N HA -0.168 4.566 4.740 -0.011 0.000 0.185 519 N C 1.876 177.442 175.510 0.094 0.000 1.016 519 N CA 1.642 54.758 53.050 0.109 0.000 0.863 519 N CB -0.087 38.376 38.487 -0.041 0.000 0.983 519 N HN 0.320 nan 8.380 nan 0.000 0.429 520 S N -0.232 115.528 115.700 0.101 0.000 2.423 520 S HA -0.085 4.378 4.470 -0.011 0.000 0.231 520 S C 1.792 176.420 174.600 0.047 0.000 1.014 520 S CA 0.756 59.032 58.200 0.126 0.000 0.965 520 S CB -0.220 63.113 63.200 0.223 0.000 0.785 520 S HN 0.460 nan 8.310 nan 0.000 0.495 521 M N 1.071 120.525 119.600 -0.243 0.000 2.132 521 M HA -0.042 4.431 4.480 -0.011 0.000 0.263 521 M C 1.655 177.857 176.300 -0.164 0.000 1.065 521 M CA 1.446 56.401 55.300 -0.575 0.000 1.122 521 M CB -0.226 31.666 32.600 -1.179 0.000 1.365 521 M HN 0.264 nan 8.290 nan 0.000 0.411 522 L N 0.301 121.523 121.223 -0.002 0.000 2.056 522 L HA -0.243 4.090 4.340 -0.011 0.000 0.207 522 L C 2.160 179.155 176.870 0.208 0.000 1.078 522 L CA 0.933 55.890 54.840 0.195 0.000 0.749 522 L CB -1.147 41.114 42.059 0.335 0.000 0.901 522 L HN 0.361 nan 8.230 nan 0.000 0.433 523 N N 0.599 119.396 118.700 0.161 0.000 2.043 523 N HA -0.199 4.534 4.740 -0.011 0.000 0.193 523 N C 1.558 177.157 175.510 0.148 0.000 1.037 523 N CA 1.614 54.763 53.050 0.164 0.000 0.851 523 N CB -0.638 37.919 38.487 0.117 0.000 1.027 523 N HN 0.434 nan 8.380 nan 0.000 0.422 524 N N 0.593 119.360 118.700 0.112 0.000 2.120 524 N HA -0.120 4.613 4.740 -0.011 0.000 0.188 524 N C 1.586 177.157 175.510 0.102 0.000 1.024 524 N CA 0.821 53.943 53.050 0.121 0.000 0.852 524 N CB -0.044 38.536 38.487 0.154 0.000 1.003 524 N HN 0.431 nan 8.380 nan 0.000 0.424 525 Q N -0.534 119.255 119.800 -0.019 0.000 2.212 525 Q HA 0.013 4.347 4.340 -0.011 0.000 0.199 525 Q C 0.754 176.707 176.000 -0.079 0.000 0.950 525 Q CA 0.935 56.658 55.803 -0.133 0.000 0.863 525 Q CB 0.225 28.638 28.738 -0.542 0.000 0.944 525 Q HN 0.438 nan 8.270 nan 0.000 0.465 526 F N -1.350 118.885 119.950 0.475 0.000 2.682 526 F HA 0.250 4.771 4.527 -0.011 0.000 0.308 526 F C 0.500 176.605 175.800 0.510 0.000 1.093 526 F CA -0.360 58.020 58.000 0.632 0.000 1.244 526 F CB 1.230 40.612 39.000 0.638 0.000 1.052 526 F HN -0.280 nan 8.300 nan 0.000 0.573 527 S N 1.584 117.539 115.700 0.426 0.000 2.399 527 S HA 0.222 4.686 4.470 -0.011 0.000 0.198 527 S C -2.577 172.124 174.600 0.170 0.000 1.294 527 S CA -0.949 57.436 58.200 0.308 0.000 1.237 527 S CB 0.225 63.590 63.200 0.275 0.000 1.286 527 S HN -0.128 nan 8.310 nan 0.000 0.404 528 P HA 0.075 nan 4.420 nan 0.000 0.270 528 P C 0.606 177.914 177.300 0.013 0.000 1.223 528 P CA -0.073 63.064 63.100 0.062 0.000 0.785 528 P CB 0.990 32.695 31.700 0.008 0.000 0.923 529 E N 0.722 120.903 120.200 -0.032 0.000 2.216 529 E HA -0.096 4.247 4.350 -0.011 0.000 0.192 529 E C -0.368 175.973 176.600 -0.433 0.000 0.988 529 E CA 0.674 56.928 56.400 -0.244 0.000 0.834 529 E CB 0.047 29.542 29.700 -0.342 0.000 0.772 529 E HN 0.466 nan 8.360 nan 0.000 0.479 530 Y N -1.212 119.081 120.300 -0.011 0.000 2.576 530 Y HA 0.520 5.064 4.550 -0.011 0.000 0.346 530 Y C 0.770 176.636 175.900 -0.057 0.000 1.018 530 Y CA -0.851 57.230 58.100 -0.033 0.000 1.050 530 Y CB 1.681 40.124 38.460 -0.029 0.000 1.280 530 Y HN -0.082 nan 8.280 nan 0.000 0.474 531 G N 0.005 108.873 108.800 0.113 0.000 2.611 531 G HA2 0.322 4.275 3.960 -0.011 0.000 0.273 531 G HA3 0.322 4.275 3.960 -0.011 0.000 0.273 531 G C 0.804 175.704 174.900 -0.001 0.000 1.305 531 G CA -0.081 45.026 45.100 0.012 0.000 1.010 531 G HN 0.789 nan 8.290 nan 0.000 0.509 532 V N -3.290 116.602 119.914 -0.037 0.000 3.461 532 V HA 0.125 4.238 4.120 -0.011 0.000 0.267 532 V C 0.960 177.020 176.094 -0.056 0.000 1.186 532 V CA 1.171 63.444 62.300 -0.044 0.000 1.154 532 V CB -1.374 30.433 31.823 -0.026 0.000 0.802 532 V HN 0.770 nan 8.190 nan 0.000 0.474 533 Q N 1.388 121.160 119.800 -0.045 0.000 2.439 533 Q HA -0.236 4.097 4.340 -0.011 0.000 0.325 533 Q C 1.430 177.396 176.000 -0.057 0.000 1.372 533 Q CA 0.603 56.374 55.803 -0.053 0.000 0.909 533 Q CB -1.703 26.990 28.738 -0.076 0.000 1.167 533 Q HN 1.023 nan 8.270 nan 0.000 0.418 534 S N -2.401 113.274 115.700 -0.042 0.000 2.500 534 S HA -0.066 4.398 4.470 -0.011 0.000 0.239 534 S C 1.587 176.169 174.600 -0.031 0.000 0.989 534 S CA 0.697 58.875 58.200 -0.037 0.000 0.951 534 S CB 0.210 63.397 63.200 -0.021 0.000 0.759 534 S HN 0.626 nan 8.310 nan 0.000 0.523 535 G N 0.571 109.352 108.800 -0.031 0.000 2.880 535 G HA2 0.275 4.229 3.960 -0.011 0.000 0.209 535 G HA3 0.275 4.229 3.960 -0.011 0.000 0.209 535 G C 0.180 175.064 174.900 -0.027 0.000 1.157 535 G CA -0.133 44.953 45.100 -0.024 0.000 0.779 535 G HN 0.441 nan 8.290 nan 0.000 0.539 536 V N 2.464 122.355 119.914 -0.039 0.000 2.353 536 V HA 0.196 4.309 4.120 -0.011 0.000 0.264 536 V C 1.270 177.344 176.094 -0.034 0.000 1.049 536 V CA -0.780 61.495 62.300 -0.042 0.000 0.896 536 V CB 1.071 32.856 31.823 -0.064 0.000 1.025 536 V HN 0.188 nan 8.190 nan 0.000 0.475 537 R N 2.079 122.572 120.500 -0.012 0.000 2.083 537 R HA -0.071 4.262 4.340 -0.011 0.000 0.237 537 R C 0.916 177.245 176.300 0.047 0.000 1.137 537 R CA 0.815 56.922 56.100 0.012 0.000 0.951 537 R CB -0.341 29.968 30.300 0.014 0.000 0.851 537 R HN 0.708 nan 8.270 nan 0.000 0.434 538 D N 1.313 121.742 120.400 0.048 0.000 2.359 538 D HA 0.025 4.658 4.640 -0.011 0.000 0.250 538 D C 0.746 177.060 176.300 0.022 0.000 1.264 538 D CA 0.063 54.133 54.000 0.116 0.000 0.911 538 D CB 0.477 41.328 40.800 0.085 0.000 1.056 538 D HN 0.011 nan 8.370 nan 0.000 0.499 539 R N 1.511 121.988 120.500 -0.038 0.000 2.120 539 R HA -0.130 4.203 4.340 -0.011 0.000 0.234 539 R C 2.142 178.171 176.300 -0.452 0.000 1.123 539 R CA 1.345 57.191 56.100 -0.422 0.000 0.975 539 R CB -0.132 29.638 30.300 -0.884 0.000 0.866 539 R HN 0.454 nan 8.270 nan 0.000 0.446 540 S N 0.882 116.416 115.700 -0.275 0.000 2.447 540 S HA -0.099 4.364 4.470 -0.011 0.000 0.233 540 S C 1.597 176.137 174.600 -0.101 0.000 1.006 540 S CA 0.910 59.028 58.200 -0.137 0.000 0.957 540 S CB 0.027 63.263 63.200 0.060 0.000 0.773 540 S HN 0.266 nan 8.310 nan 0.000 0.507 541 K N 0.453 120.799 120.400 -0.091 0.000 2.426 541 K HA 0.200 4.513 4.320 -0.011 0.000 0.193 541 K C 0.686 177.207 176.600 -0.132 0.000 1.028 541 K CA -0.071 56.163 56.287 -0.088 0.000 1.047 541 K CB 0.189 32.654 32.500 -0.057 0.000 0.821 541 K HN 0.379 nan 8.250 nan 0.000 0.513 542 R N 0.905 121.300 120.500 -0.175 0.000 2.679 542 R HA 0.098 4.431 4.340 -0.011 0.000 0.269 542 R C 1.140 177.312 176.300 -0.213 0.000 1.076 542 R CA -0.313 55.669 56.100 -0.196 0.000 1.160 542 R CB 0.448 30.614 30.300 -0.222 0.000 1.054 542 R HN -0.161 nan 8.270 nan 0.000 0.507 543 K N 1.578 121.819 120.400 -0.266 0.000 2.148 543 K HA -0.073 4.240 4.320 -0.011 0.000 0.204 543 K C 0.366 176.875 176.600 -0.152 0.000 1.050 543 K CA 1.369 57.459 56.287 -0.328 0.000 0.942 543 K CB 0.123 32.193 32.500 -0.717 0.000 0.724 543 K HN 0.411 nan 8.250 nan 0.000 0.446 544 R N 0.376 120.800 120.500 -0.127 0.000 2.547 544 R HA 0.177 4.510 4.340 -0.011 0.000 0.280 544 R C -2.194 174.002 176.300 -0.173 0.000 1.630 544 R CA -1.395 54.663 56.100 -0.070 0.000 1.470 544 R CB 1.211 31.506 30.300 -0.009 0.000 1.178 544 R HN -0.126 nan 8.270 nan 0.000 0.591 545 P HA -0.160 nan 4.420 nan 0.000 0.215 545 P C -0.325 176.350 177.300 -1.041 0.000 1.157 545 P CA 1.394 64.115 63.100 -0.632 0.000 0.874 545 P CB 0.248 31.679 31.700 -0.448 0.000 0.790 546 F N -3.819 116.081 119.950 -0.082 0.000 2.872 546 F HA 0.331 4.851 4.527 -0.011 0.000 0.365 546 F C -1.996 173.800 175.800 -0.006 0.000 1.296 546 F CA -1.971 55.993 58.000 -0.060 0.000 1.199 546 F CB 1.150 40.103 39.000 -0.079 0.000 1.687 546 F HN -0.108 nan 8.300 nan 0.000 0.604 547 P HA -0.140 nan 4.420 nan 0.000 0.216 547 P C 1.925 179.310 177.300 0.142 0.000 1.150 547 P CA 1.543 64.737 63.100 0.157 0.000 0.837 547 P CB 0.285 32.110 31.700 0.208 0.000 0.786 548 G N -0.085 108.761 108.800 0.076 0.000 2.462 548 G HA2 -0.224 3.730 3.960 -0.011 0.000 0.220 548 G HA3 -0.224 3.730 3.960 -0.011 0.000 0.220 548 G C 1.407 176.348 174.900 0.068 0.000 1.121 548 G CA 0.425 45.523 45.100 -0.004 0.000 0.758 548 G HN 0.251 nan 8.290 nan 0.000 0.559 549 L N 0.533 121.819 121.223 0.105 0.000 2.191 549 L HA -0.056 4.277 4.340 -0.011 0.000 0.212 549 L C 3.280 180.221 176.870 0.119 0.000 1.103 549 L CA 0.765 55.660 54.840 0.091 0.000 0.769 549 L CB -0.454 41.643 42.059 0.062 0.000 0.908 549 L HN 0.297 nan 8.230 nan 0.000 0.438 550 A N -0.411 122.503 122.820 0.158 0.000 2.070 550 A HA -0.251 4.062 4.320 -0.011 0.000 0.220 550 A C 2.158 179.864 177.584 0.204 0.000 1.159 550 A CA 1.022 53.167 52.037 0.180 0.000 0.656 550 A CB -0.842 18.288 19.000 0.216 0.000 0.800 550 A HN 0.693 nan 8.150 nan 0.000 0.453 551 W N 0.452 121.753 121.300 0.002 0.000 2.402 551 W HA -0.129 4.525 4.660 -0.011 0.000 0.286 551 W C 2.154 178.679 176.519 0.010 0.000 1.221 551 W CA 1.364 58.700 57.345 -0.016 0.000 1.257 551 W CB -0.048 29.346 29.460 -0.108 0.000 1.120 551 W HN 0.436 nan 8.180 nan 0.000 0.551 552 A N 0.077 122.952 122.820 0.092 0.000 2.066 552 A HA -0.150 4.163 4.320 -0.011 0.000 0.218 552 A C 1.861 179.413 177.584 -0.053 0.000 1.157 552 A CA 1.871 53.906 52.037 -0.004 0.000 0.670 552 A CB -0.789 18.224 19.000 0.021 0.000 0.804 552 A HN 0.291 nan 8.150 nan 0.000 0.453 553 S N -1.594 114.090 115.700 -0.028 0.000 2.523 553 S HA 0.118 4.582 4.470 -0.011 0.000 0.217 553 S C 1.682 176.265 174.600 -0.028 0.000 0.996 553 S CA 0.541 58.719 58.200 -0.038 0.000 0.921 553 S CB -0.415 62.776 63.200 -0.015 0.000 0.829 553 S HN 0.524 nan 8.310 nan 0.000 0.495 554 M N 1.961 121.551 119.600 -0.017 0.000 2.082 554 M HA -0.193 4.280 4.480 -0.011 0.000 0.258 554 M C 2.100 178.447 176.300 0.079 0.000 1.069 554 M CA 2.188 57.545 55.300 0.094 0.000 1.102 554 M CB -0.204 32.345 32.600 -0.086 0.000 1.336 554 M HN 0.304 nan 8.290 nan 0.000 0.404 555 K N 0.532 120.888 120.400 -0.073 0.000 2.025 555 K HA -0.207 4.106 4.320 -0.011 0.000 0.207 555 K C 1.801 178.256 176.600 -0.242 0.000 1.049 555 K CA 2.205 58.367 56.287 -0.209 0.000 0.933 555 K CB -0.725 31.681 32.500 -0.156 0.000 0.714 555 K HN 0.532 nan 8.250 nan 0.000 0.438 556 D N -0.860 119.440 120.400 -0.166 0.000 2.117 556 D HA -0.131 4.502 4.640 -0.011 0.000 0.197 556 D C 1.128 177.309 176.300 -0.199 0.000 0.987 556 D CA 1.612 55.514 54.000 -0.164 0.000 0.829 556 D CB 0.168 40.889 40.800 -0.131 0.000 0.961 556 D HN 0.328 nan 8.370 nan 0.000 0.460 557 T N -1.086 113.325 114.554 -0.238 0.000 2.851 557 T HA -0.094 4.250 4.350 -0.011 0.000 0.262 557 T C 1.242 175.556 174.700 -0.644 0.000 1.043 557 T CA 0.971 62.798 62.100 -0.456 0.000 1.140 557 T CB -0.186 68.310 68.868 -0.621 0.000 0.872 557 T HN 0.283 nan 8.240 nan 0.000 0.446 558 Y N 0.030 120.285 120.300 -0.074 0.000 2.445 558 Y HA 0.401 4.944 4.550 -0.011 0.000 0.247 558 Y C 2.438 178.140 175.900 -0.329 0.000 1.129 558 Y CA -0.592 57.473 58.100 -0.059 0.000 1.251 558 Y CB -0.206 38.350 38.460 0.159 0.000 1.176 558 Y HN 0.199 nan 8.280 nan 0.000 0.522 559 G N 0.844 109.313 108.800 -0.550 0.000 2.507 559 G HA2 -0.328 3.626 3.960 -0.011 0.000 0.221 559 G HA3 -0.328 3.626 3.960 -0.011 0.000 0.221 559 G C 1.757 176.437 174.900 -0.367 0.000 1.119 559 G CA 1.161 45.757 45.100 -0.839 0.000 0.751 559 G HN 0.441 nan 8.290 nan 0.000 0.574 560 A N -0.835 121.878 122.820 -0.178 0.000 2.206 560 A HA 0.189 4.502 4.320 -0.011 0.000 0.211 560 A C 1.484 179.070 177.584 0.004 0.000 1.158 560 A CA 0.536 52.532 52.037 -0.068 0.000 0.761 560 A CB -0.676 18.297 19.000 -0.046 0.000 0.801 560 A HN 0.497 nan 8.150 nan 0.000 0.473 561 C N 0.765 120.095 119.300 0.050 0.000 2.648 561 C HA 0.326 4.779 4.460 -0.011 0.000 0.415 561 C C -0.593 174.457 174.990 0.101 0.000 1.366 561 C CA -1.341 57.743 59.018 0.109 0.000 1.756 561 C CB 0.211 28.065 27.740 0.190 0.000 2.549 561 C HN 0.420 nan 8.230 nan 0.000 0.597 562 P HA -0.182 nan 4.420 nan 0.000 0.218 562 P C 0.867 178.200 177.300 0.056 0.000 1.154 562 P CA 1.921 65.061 63.100 0.067 0.000 0.872 562 P CB -0.119 31.621 31.700 0.065 0.000 0.790 563 I N -5.794 114.775 120.570 -0.002 0.000 3.858 563 I HA 0.167 4.330 4.170 -0.011 0.000 0.325 563 I C 1.783 177.861 176.117 -0.065 0.000 1.403 563 I CA -0.351 60.866 61.300 -0.140 0.000 1.169 563 I CB -0.761 36.912 38.000 -0.545 0.000 1.077 563 I HN -0.145 nan 8.210 nan 0.000 0.403 564 Y N 1.992 122.261 120.300 -0.052 0.000 2.081 564 Y HA -0.316 4.227 4.550 -0.011 0.000 0.280 564 Y C 2.570 178.463 175.900 -0.011 0.000 1.163 564 Y CA 2.398 60.490 58.100 -0.014 0.000 1.135 564 Y CB -0.111 38.364 38.460 0.026 0.000 0.970 564 Y HN 0.311 nan 8.280 nan 0.000 0.498 565 S N 0.378 116.109 115.700 0.051 0.000 2.356 565 S HA -0.223 4.240 4.470 -0.011 0.000 0.223 565 S C 1.383 175.947 174.600 -0.060 0.000 1.032 565 S CA 1.667 59.845 58.200 -0.037 0.000 1.005 565 S CB -0.581 62.672 63.200 0.088 0.000 0.867 565 S HN 0.616 nan 8.310 nan 0.000 0.449 566 D N 0.957 121.343 120.400 -0.024 0.000 2.123 566 D HA -0.092 4.541 4.640 -0.011 0.000 0.196 566 D C 1.871 178.159 176.300 -0.020 0.000 0.992 566 D CA 0.908 54.925 54.000 0.028 0.000 0.833 566 D CB -0.355 40.480 40.800 0.060 0.000 0.954 566 D HN 0.179 nan 8.370 nan 0.000 0.455 567 V N 0.491 120.315 119.914 -0.148 0.000 2.307 567 V HA -0.189 3.925 4.120 -0.011 0.000 0.245 567 V C 2.407 178.464 176.094 -0.061 0.000 1.045 567 V CA 1.188 63.415 62.300 -0.121 0.000 1.024 567 V CB -0.473 31.259 31.823 -0.152 0.000 0.651 567 V HN 0.253 nan 8.190 nan 0.000 0.449 568 L N -0.399 120.740 121.223 -0.141 0.000 2.079 568 L HA -0.163 4.171 4.340 -0.011 0.000 0.210 568 L C 2.770 179.673 176.870 0.055 0.000 1.081 568 L CA 1.354 56.165 54.840 -0.049 0.000 0.752 568 L CB -0.544 41.398 42.059 -0.195 0.000 0.896 568 L HN 0.351 nan 8.230 nan 0.000 0.433 569 E N 0.020 120.234 120.200 0.024 0.000 2.072 569 E HA -0.175 4.168 4.350 -0.011 0.000 0.191 569 E C 2.289 178.910 176.600 0.035 0.000 0.985 569 E CA 1.324 57.757 56.400 0.055 0.000 0.801 569 E CB -0.184 29.545 29.700 0.049 0.000 0.750 569 E HN 0.461 nan 8.360 nan 0.000 0.452 570 A N 1.278 124.099 122.820 0.003 0.000 1.902 570 A HA -0.158 4.156 4.320 -0.011 0.000 0.217 570 A C 2.355 179.930 177.584 -0.015 0.000 1.181 570 A CA 1.145 53.117 52.037 -0.108 0.000 0.623 570 A CB -0.698 18.279 19.000 -0.039 0.000 0.818 570 A HN 0.169 nan 8.150 nan 0.000 0.443 571 I N -0.777 119.843 120.570 0.083 0.000 2.127 571 I HA -0.287 3.876 4.170 -0.011 0.000 0.241 571 I C 2.597 178.894 176.117 0.301 0.000 1.075 571 I CA 1.944 63.368 61.300 0.207 0.000 1.334 571 I CB -0.304 37.813 38.000 0.196 0.000 1.040 571 I HN 0.402 nan 8.210 nan 0.000 0.405 572 E N 1.069 121.429 120.200 0.266 0.000 2.058 572 E HA -0.282 4.062 4.350 -0.011 0.000 0.194 572 E C 2.249 179.106 176.600 0.429 0.000 0.997 572 E CA 1.609 58.226 56.400 0.360 0.000 0.801 572 E CB -0.179 29.704 29.700 0.304 0.000 0.746 572 E HN 0.217 nan 8.360 nan 0.000 0.450 573 R N -0.634 120.018 120.500 0.252 0.000 2.073 573 R HA -0.126 4.208 4.340 -0.011 0.000 0.234 573 R C 2.308 178.762 176.300 0.257 0.000 1.134 573 R CA 1.823 58.041 56.100 0.197 0.000 0.952 573 R CB -0.670 29.622 30.300 -0.013 0.000 0.850 573 R HN 0.341 nan 8.270 nan 0.000 0.433 574 C N -0.378 119.054 119.300 0.219 0.000 2.435 574 C HA -0.075 4.378 4.460 -0.011 0.000 0.279 574 C C 2.344 177.651 174.990 0.528 0.000 1.321 574 C CA -0.013 59.169 59.018 0.273 0.000 1.752 574 C CB -1.316 26.486 27.740 0.103 0.000 1.959 574 C HN 0.689 nan 8.230 nan 0.000 0.500 575 W N -0.328 121.202 121.300 0.384 0.000 2.402 575 W HA -0.101 4.553 4.660 -0.011 0.000 0.286 575 W C 2.128 178.746 176.519 0.165 0.000 1.221 575 W CA 0.935 58.389 57.345 0.181 0.000 1.257 575 W CB -0.622 28.803 29.460 -0.057 0.000 1.120 575 W HN 0.462 nan 8.180 nan 0.000 0.551 576 W N 1.296 122.811 121.300 0.357 0.000 2.355 576 W HA -0.233 4.421 4.660 -0.011 0.000 0.309 576 W C 2.340 178.920 176.519 0.102 0.000 1.206 576 W CA 1.779 59.255 57.345 0.217 0.000 1.284 576 W CB -0.883 28.671 29.460 0.158 0.000 1.145 576 W HN -0.217 nan 8.180 nan 0.000 0.502 577 N N -0.008 118.888 118.700 0.328 0.000 2.094 577 N HA -0.192 4.542 4.740 -0.011 0.000 0.191 577 N C 1.618 177.132 175.510 0.006 0.000 1.023 577 N CA 2.168 55.312 53.050 0.157 0.000 0.857 577 N CB -1.110 37.441 38.487 0.106 0.000 1.013 577 N HN 0.175 nan 8.380 nan 0.000 0.426 578 A N -0.658 122.110 122.820 -0.087 0.000 1.898 578 A HA 0.091 4.405 4.320 -0.011 0.000 0.214 578 A C 1.452 178.613 177.584 -0.705 0.000 1.183 578 A CA 0.851 52.630 52.037 -0.431 0.000 0.622 578 A CB -0.358 18.297 19.000 -0.574 0.000 0.824 578 A HN 0.249 nan 8.150 nan 0.000 0.444 579 F N -1.290 118.390 119.950 -0.450 0.000 2.706 579 F HA 0.379 4.899 4.527 -0.011 0.000 0.308 579 F C 1.655 177.240 175.800 -0.359 0.000 1.095 579 F CA 0.324 58.043 58.000 -0.468 0.000 1.244 579 F CB 0.317 38.874 39.000 -0.739 0.000 1.063 579 F HN 0.311 nan 8.300 nan 0.000 0.582 580 G N 1.325 110.016 108.800 -0.181 0.000 2.273 580 G HA2 -0.231 3.722 3.960 -0.011 0.000 0.280 580 G HA3 -0.231 3.722 3.960 -0.011 0.000 0.280 580 G C -0.160 174.241 174.900 -0.832 0.000 1.047 580 G CA 0.304 45.234 45.100 -0.283 0.000 0.869 580 G HN 0.356 nan 8.290 nan 0.000 0.502 581 E N -1.090 118.465 120.200 -1.075 0.000 2.449 581 E HA 0.493 4.837 4.350 -0.011 0.000 0.278 581 E C -0.785 175.267 176.600 -0.914 0.000 0.992 581 E CA -0.666 55.193 56.400 -0.902 0.000 0.807 581 E CB 1.397 30.920 29.700 -0.296 0.000 1.350 581 E HN 0.254 nan 8.360 nan 0.000 0.462 582 S N 0.443 115.909 115.700 -0.390 0.000 2.465 582 S HA 0.109 4.572 4.470 -0.011 0.000 0.279 582 S C 0.512 175.037 174.600 -0.125 0.000 1.201 582 S CA -0.274 57.900 58.200 -0.044 0.000 1.053 582 S CB 0.068 63.372 63.200 0.173 0.000 0.953 582 S HN 0.644 nan 8.310 nan 0.000 0.488 583 Y N 5.604 125.703 120.300 -0.335 0.000 2.163 583 Y HA -0.100 4.443 4.550 -0.011 0.000 0.288 583 Y C 2.497 178.087 175.900 -0.517 0.000 1.136 583 Y CA 1.968 59.593 58.100 -0.791 0.000 1.147 583 Y CB -0.159 37.790 38.460 -0.851 0.000 0.987 583 Y HN 0.793 nan 8.280 nan 0.000 0.509 584 R N 0.473 120.830 120.500 -0.239 0.000 2.096 584 R HA -0.244 4.089 4.340 -0.011 0.000 0.240 584 R C 2.310 178.355 176.300 -0.426 0.000 1.139 584 R CA 1.701 57.639 56.100 -0.270 0.000 0.952 584 R CB -0.674 29.704 30.300 0.131 0.000 0.854 584 R HN 0.458 nan 8.270 nan 0.000 0.436 585 A N -0.115 122.565 122.820 -0.233 0.000 1.933 585 A HA -0.212 4.101 4.320 -0.011 0.000 0.218 585 A C 2.024 179.415 177.584 -0.322 0.000 1.175 585 A CA 1.342 53.257 52.037 -0.204 0.000 0.628 585 A CB -0.885 18.073 19.000 -0.071 0.000 0.814 585 A HN 0.661 nan 8.150 nan 0.000 0.444 586 Y N 0.521 120.497 120.300 -0.540 0.000 2.165 586 Y HA -0.211 4.332 4.550 -0.011 0.000 0.286 586 Y C 2.388 177.821 175.900 -0.778 0.000 1.155 586 Y CA 2.085 59.830 58.100 -0.593 0.000 1.164 586 Y CB -0.141 37.925 38.460 -0.656 0.000 0.978 586 Y HN 0.153 nan 8.280 nan 0.000 0.513 587 R N 0.716 120.465 120.500 -1.252 0.000 2.090 587 R HA -0.088 4.246 4.340 -0.011 0.000 0.228 587 R C 2.151 177.784 176.300 -1.111 0.000 1.110 587 R CA 1.485 56.659 56.100 -1.542 0.000 0.973 587 R CB -0.612 28.145 30.300 -2.571 0.000 0.869 587 R HN 0.564 nan 8.270 nan 0.000 0.440 588 E N 0.563 120.247 120.200 -0.860 0.000 2.085 588 E HA -0.175 4.169 4.350 -0.011 0.000 0.194 588 E C 1.432 177.841 176.600 -0.319 0.000 0.994 588 E CA 1.292 57.447 56.400 -0.409 0.000 0.801 588 E CB -0.002 29.574 29.700 -0.207 0.000 0.743 588 E HN 0.251 nan 8.360 nan 0.000 0.453 589 D N 0.285 120.470 120.400 -0.357 0.000 2.117 589 D HA -0.172 4.461 4.640 -0.011 0.000 0.197 589 D C 1.880 178.000 176.300 -0.301 0.000 0.987 589 D CA 0.931 54.767 54.000 -0.274 0.000 0.829 589 D CB -0.190 40.460 40.800 -0.251 0.000 0.961 589 D HN 0.150 nan 8.370 nan 0.000 0.460 590 M N 0.346 119.663 119.600 -0.470 0.000 2.159 590 M HA -0.128 4.345 4.480 -0.011 0.000 0.263 590 M C 2.151 178.305 176.300 -0.242 0.000 1.063 590 M CA 0.917 55.970 55.300 -0.412 0.000 1.110 590 M CB 0.032 32.250 32.600 -0.637 0.000 1.374 590 M HN 0.028 nan 8.290 nan 0.000 0.411 591 L N 0.287 121.367 121.223 -0.240 0.000 1.989 591 L HA -0.303 4.031 4.340 -0.011 0.000 0.211 591 L C 2.284 179.115 176.870 -0.066 0.000 1.071 591 L CA 1.822 56.607 54.840 -0.092 0.000 0.749 591 L CB -0.467 41.579 42.059 -0.022 0.000 0.890 591 L HN 0.335 nan 8.230 nan 0.000 0.431 592 K N -0.556 119.793 120.400 -0.086 0.000 2.020 592 K HA -0.225 4.088 4.320 -0.011 0.000 0.212 592 K C 2.109 178.682 176.600 -0.044 0.000 1.050 592 K CA 1.717 57.969 56.287 -0.058 0.000 0.929 592 K CB -0.185 32.277 32.500 -0.064 0.000 0.714 592 K HN 0.389 nan 8.250 nan 0.000 0.443 593 R N 0.773 121.237 120.500 -0.059 0.000 2.083 593 R HA -0.138 4.195 4.340 -0.011 0.000 0.237 593 R C 1.903 178.216 176.300 0.022 0.000 1.137 593 R CA 1.598 57.682 56.100 -0.026 0.000 0.951 593 R CB -0.357 29.915 30.300 -0.046 0.000 0.851 593 R HN 0.229 nan 8.270 nan 0.000 0.434 594 D N -0.227 120.191 120.400 0.031 0.000 2.219 594 D HA -0.078 4.555 4.640 -0.011 0.000 0.205 594 D C 1.715 178.051 176.300 0.060 0.000 0.970 594 D CA 1.199 55.276 54.000 0.130 0.000 0.851 594 D CB -0.169 40.728 40.800 0.162 0.000 0.943 594 D HN 0.177 nan 8.370 nan 0.000 0.488 595 T N 0.769 115.320 114.554 -0.006 0.000 2.777 595 T HA -0.039 4.304 4.350 -0.011 0.000 0.266 595 T C 2.180 176.859 174.700 -0.035 0.000 1.040 595 T CA 0.471 62.539 62.100 -0.052 0.000 1.141 595 T CB -0.111 68.733 68.868 -0.041 0.000 0.868 595 T HN 0.140 nan 8.240 nan 0.000 0.444 596 L N 0.554 121.778 121.223 0.001 0.000 2.056 596 L HA -0.061 4.272 4.340 -0.011 0.000 0.207 596 L C 2.807 179.714 176.870 0.062 0.000 1.078 596 L CA 1.166 56.016 54.840 0.018 0.000 0.749 596 L CB -0.402 41.667 42.059 0.017 0.000 0.901 596 L HN 0.180 nan 8.230 nan 0.000 0.433 597 E N 0.472 120.745 120.200 0.121 0.000 2.110 597 E HA -0.231 4.112 4.350 -0.011 0.000 0.193 597 E C 1.956 178.755 176.600 0.331 0.000 0.988 597 E CA 0.947 57.504 56.400 0.261 0.000 0.804 597 E CB -0.242 29.665 29.700 0.344 0.000 0.745 597 E HN 0.223 nan 8.360 nan 0.000 0.458 598 L N 0.644 121.885 121.223 0.030 0.000 2.042 598 L HA -0.187 4.146 4.340 -0.011 0.000 0.210 598 L C 2.148 179.012 176.870 -0.010 0.000 1.076 598 L CA 2.414 57.073 54.840 -0.303 0.000 0.749 598 L CB -1.031 40.664 42.059 -0.607 0.000 0.893 598 L HN 0.247 nan 8.230 nan 0.000 0.432 599 S N -0.845 114.853 115.700 -0.004 0.000 2.465 599 S HA -0.267 4.196 4.470 -0.011 0.000 0.241 599 S C 2.121 176.738 174.600 0.029 0.000 1.000 599 S CA 1.155 59.356 58.200 0.002 0.000 0.964 599 S CB -0.839 62.354 63.200 -0.011 0.000 0.763 599 S HN 0.659 nan 8.310 nan 0.000 0.512 600 R N -0.542 120.010 120.500 0.086 0.000 2.236 600 R HA 0.058 4.391 4.340 -0.011 0.000 0.208 600 R C 0.981 177.174 176.300 -0.177 0.000 1.036 600 R CA 0.782 56.860 56.100 -0.037 0.000 1.001 600 R CB -0.102 30.171 30.300 -0.046 0.000 0.896 600 R HN 0.557 nan 8.270 nan 0.000 0.464 601 Y N -0.901 119.415 120.300 0.027 0.000 2.524 601 Y HA 0.214 4.757 4.550 -0.012 0.000 0.270 601 Y C 0.440 176.337 175.900 -0.005 0.000 1.094 601 Y CA -0.155 57.969 58.100 0.041 0.000 1.276 601 Y CB 0.893 39.428 38.460 0.125 0.000 1.130 601 Y HN -0.246 nan 8.280 nan 0.000 0.536 602 V N 1.386 121.356 119.914 0.094 0.000 2.334 602 V HA 0.301 4.414 4.120 -0.011 0.000 0.267 602 V C 1.046 177.140 176.094 0.000 0.000 1.040 602 V CA -0.097 62.218 62.300 0.026 0.000 0.866 602 V CB 0.414 32.224 31.823 -0.021 0.000 1.019 602 V HN 0.367 nan 8.190 nan 0.000 0.468 603 A N 4.303 127.121 122.820 -0.002 0.000 1.908 603 A HA -0.131 4.183 4.320 -0.011 0.000 0.218 603 A C 2.111 179.684 177.584 -0.018 0.000 1.181 603 A CA 2.079 54.108 52.037 -0.014 0.000 0.627 603 A CB -0.371 18.621 19.000 -0.013 0.000 0.818 603 A HN 0.979 nan 8.150 nan 0.000 0.445 604 S N -1.768 113.921 115.700 -0.018 0.000 2.851 604 S HA 0.413 4.876 4.470 -0.011 0.000 0.227 604 S C 0.210 174.794 174.600 -0.027 0.000 0.958 604 S CA 0.064 58.251 58.200 -0.023 0.000 0.990 604 S CB -0.530 62.656 63.200 -0.024 0.000 0.790 604 S HN 0.477 nan 8.310 nan 0.000 0.509 605 M N 2.161 121.745 119.600 -0.027 0.000 2.197 605 M HA 0.621 5.095 4.480 -0.011 0.000 0.301 605 M C -0.171 176.112 176.300 -0.027 0.000 0.987 605 M CA -0.465 54.816 55.300 -0.032 0.000 0.921 605 M CB 1.800 34.376 32.600 -0.040 0.000 1.569 605 M HN 0.272 nan 8.290 nan 0.000 0.431 606 A N 3.782 126.586 122.820 -0.027 0.000 2.583 606 A HA 0.057 4.371 4.320 -0.011 0.000 0.231 606 A C 0.692 178.263 177.584 -0.022 0.000 1.065 606 A CA 0.316 52.339 52.037 -0.023 0.000 0.760 606 A CB 0.170 19.157 19.000 -0.022 0.000 1.001 606 A HN 1.031 nan 8.150 nan 0.000 0.509 607 R N -0.064 120.425 120.500 -0.019 0.000 2.417 607 R HA -0.123 4.211 4.340 -0.011 0.000 0.220 607 R C 0.214 176.506 176.300 -0.014 0.000 1.128 607 R CA 1.572 57.662 56.100 -0.017 0.000 1.048 607 R CB -0.163 30.127 30.300 -0.016 0.000 0.835 607 R HN 0.801 nan 8.270 nan 0.000 0.483 608 Q N -1.769 118.021 119.800 -0.017 0.000 1.849 608 Q HA 0.166 4.499 4.340 -0.011 0.000 0.187 608 Q C -1.365 174.622 176.000 -0.021 0.000 0.808 608 Q CA -0.280 55.514 55.803 -0.017 0.000 0.881 608 Q CB 1.177 29.907 28.738 -0.013 0.000 1.272 608 Q HN 0.227 nan 8.270 nan 0.000 0.378 609 A N 0.182 122.986 122.820 -0.026 0.000 2.388 609 A HA 0.727 5.040 4.320 -0.011 0.000 0.257 609 A C 0.845 178.407 177.584 -0.036 0.000 1.095 609 A CA 0.515 52.534 52.037 -0.029 0.000 0.791 609 A CB 0.460 19.441 19.000 -0.031 0.000 1.029 609 A HN 0.321 nan 8.150 nan 0.000 0.489 610 G N -0.326 108.453 108.800 -0.035 0.000 2.486 610 G HA2 0.374 4.328 3.960 -0.011 0.000 0.272 610 G HA3 0.374 4.328 3.960 -0.011 0.000 0.272 610 G C 0.481 175.351 174.900 -0.051 0.000 1.426 610 G CA -0.549 44.527 45.100 -0.039 0.000 1.058 610 G HN 0.705 nan 8.290 nan 0.000 0.531 611 L N 0.977 122.169 121.223 -0.052 0.000 2.653 611 L HA 0.171 4.504 4.340 -0.011 0.000 0.232 611 L C 2.779 179.615 176.870 -0.058 0.000 1.169 611 L CA 0.315 55.117 54.840 -0.063 0.000 0.951 611 L CB -0.318 41.706 42.059 -0.059 0.000 1.181 611 L HN 0.590 nan 8.230 nan 0.000 0.460 612 A N 0.891 123.682 122.820 -0.049 0.000 1.896 612 A HA -0.238 4.075 4.320 -0.011 0.000 0.220 612 A C 2.134 179.686 177.584 -0.053 0.000 1.206 612 A CA 1.890 53.900 52.037 -0.046 0.000 0.647 612 A CB -0.235 18.741 19.000 -0.039 0.000 0.828 612 A HN 0.442 nan 8.150 nan 0.000 0.455 613 E N -0.294 119.873 120.200 -0.056 0.000 2.482 613 E HA 0.111 4.454 4.350 -0.011 0.000 0.196 613 E C 0.231 176.788 176.600 -0.072 0.000 1.047 613 E CA 0.010 56.374 56.400 -0.060 0.000 0.869 613 E CB -0.268 29.400 29.700 -0.055 0.000 0.836 613 E HN 0.614 nan 8.360 nan 0.000 0.520 614 L N 2.001 123.177 121.223 -0.079 0.000 2.371 614 L HA 0.154 4.488 4.340 -0.011 0.000 0.272 614 L C 0.948 177.756 176.870 -0.104 0.000 1.124 614 L CA -0.381 54.403 54.840 -0.094 0.000 0.816 614 L CB 0.881 42.881 42.059 -0.098 0.000 1.129 614 L HN -0.046 nan 8.230 nan 0.000 0.448 615 T N -0.913 113.564 114.554 -0.128 0.000 2.902 615 T HA 0.310 4.653 4.350 -0.011 0.000 0.280 615 T C -1.954 172.643 174.700 -0.171 0.000 0.992 615 T CA -1.894 60.115 62.100 -0.151 0.000 1.015 615 T CB 1.680 70.437 68.868 -0.185 0.000 1.044 615 T HN 0.293 nan 8.240 nan 0.000 0.520 616 P HA -0.052 nan 4.420 nan 0.000 0.216 616 P C 1.568 178.722 177.300 -0.243 0.000 1.153 616 P CA 1.054 64.054 63.100 -0.167 0.000 0.858 616 P CB -0.108 31.498 31.700 -0.156 0.000 0.789 617 I N -0.567 119.752 120.570 -0.420 0.000 2.226 617 I HA -0.238 3.925 4.170 -0.011 0.000 0.245 617 I C 1.831 177.665 176.117 -0.471 0.000 1.100 617 I CA 1.491 62.324 61.300 -0.779 0.000 1.374 617 I CB -0.718 36.624 38.000 -1.096 0.000 1.057 617 I HN -0.043 nan 8.210 nan 0.000 0.413 618 D N 0.995 121.214 120.400 -0.301 0.000 2.123 618 D HA -0.159 4.475 4.640 -0.011 0.000 0.196 618 D C 2.352 178.586 176.300 -0.111 0.000 0.992 618 D CA 1.362 55.255 54.000 -0.178 0.000 0.833 618 D CB -0.306 40.408 40.800 -0.143 0.000 0.954 618 D HN 0.319 nan 8.370 nan 0.000 0.455 619 L N 0.947 122.109 121.223 -0.102 0.000 2.056 619 L HA -0.130 4.203 4.340 -0.011 0.000 0.207 619 L C 2.441 179.328 176.870 0.028 0.000 1.078 619 L CA 0.951 55.769 54.840 -0.037 0.000 0.749 619 L CB -0.373 41.666 42.059 -0.034 0.000 0.901 619 L HN -0.080 nan 8.230 nan 0.000 0.433 620 E N 0.050 120.271 120.200 0.035 0.000 2.110 620 E HA -0.161 4.183 4.350 -0.011 0.000 0.193 620 E C 2.376 179.090 176.600 0.189 0.000 0.988 620 E CA 1.132 57.629 56.400 0.161 0.000 0.804 620 E CB -0.252 29.628 29.700 0.300 0.000 0.745 620 E HN 0.319 nan 8.360 nan 0.000 0.458 621 V N 1.346 121.341 119.914 0.136 0.000 2.453 621 V HA -0.188 3.926 4.120 -0.011 0.000 0.247 621 V C 2.452 178.608 176.094 0.103 0.000 1.048 621 V CA 1.073 63.455 62.300 0.136 0.000 1.049 621 V CB -0.392 31.481 31.823 0.084 0.000 0.672 621 V HN 0.181 nan 8.190 nan 0.000 0.457 622 L N 0.016 121.292 121.223 0.089 0.000 2.141 622 L HA -0.073 4.260 4.340 -0.011 0.000 0.209 622 L C 2.551 179.539 176.870 0.197 0.000 1.094 622 L CA 1.357 56.287 54.840 0.151 0.000 0.763 622 L CB -0.571 41.550 42.059 0.104 0.000 0.908 622 L HN 0.351 nan 8.230 nan 0.000 0.437 623 A N -1.454 121.462 122.820 0.160 0.000 2.021 623 A HA -0.092 4.221 4.320 -0.011 0.000 0.216 623 A C 0.612 178.273 177.584 0.129 0.000 1.163 623 A CA 0.974 53.104 52.037 0.155 0.000 0.676 623 A CB 0.023 19.122 19.000 0.165 0.000 0.818 623 A HN 0.328 nan 8.150 nan 0.000 0.453 624 D N -2.202 118.277 120.400 0.132 0.000 2.472 624 D HA 0.317 4.950 4.640 -0.011 0.000 0.248 624 D C -2.485 173.880 176.300 0.109 0.000 1.271 624 D CA -1.523 52.553 54.000 0.128 0.000 0.888 624 D CB 1.082 41.979 40.800 0.162 0.000 1.337 624 D HN -0.116 nan 8.370 nan 0.000 0.526 625 P HA -0.113 nan 4.420 nan 0.000 0.220 625 P C 1.271 178.605 177.300 0.056 0.000 1.144 625 P CA 0.713 63.845 63.100 0.053 0.000 0.800 625 P CB 0.147 31.853 31.700 0.010 0.000 0.772 626 N N 0.065 118.819 118.700 0.089 0.000 2.272 626 N HA -0.177 4.556 4.740 -0.011 0.000 0.185 626 N C 1.293 176.811 175.510 0.013 0.000 1.014 626 N CA 0.889 54.020 53.050 0.135 0.000 0.870 626 N CB -0.065 38.574 38.487 0.254 0.000 0.975 626 N HN 0.150 nan 8.380 nan 0.000 0.433 627 K N 0.147 120.467 120.400 -0.133 0.000 2.442 627 K HA -0.082 4.232 4.320 -0.011 0.000 0.198 627 K C 1.259 177.617 176.600 -0.402 0.000 1.042 627 K CA 0.262 56.185 56.287 -0.607 0.000 0.958 627 K CB 0.129 32.432 32.500 -0.328 0.000 0.766 627 K HN 0.134 nan 8.250 nan 0.000 0.474 628 L N 0.441 121.610 121.223 -0.090 0.000 2.509 628 L HA -0.012 4.322 4.340 -0.011 0.000 0.222 628 L C 1.505 178.377 176.870 0.004 0.000 1.123 628 L CA 1.462 56.318 54.840 0.027 0.000 0.856 628 L CB 0.040 42.152 42.059 0.088 0.000 0.985 628 L HN -0.006 nan 8.230 nan 0.000 0.456 629 Q N -2.146 117.641 119.800 -0.023 0.000 2.356 629 Q HA 0.037 4.370 4.340 -0.011 0.000 0.205 629 Q C 0.530 176.608 176.000 0.130 0.000 0.901 629 Q CA 0.498 56.347 55.803 0.078 0.000 0.938 629 Q CB 0.388 29.211 28.738 0.143 0.000 1.081 629 Q HN 0.670 nan 8.270 nan 0.000 0.517 630 Y N -4.686 115.591 120.300 -0.038 0.000 2.506 630 Y HA 0.451 4.994 4.550 -0.011 0.000 0.290 630 Y C 1.233 177.024 175.900 -0.181 0.000 1.003 630 Y CA -0.308 57.742 58.100 -0.084 0.000 1.082 630 Y CB 0.038 38.446 38.460 -0.086 0.000 1.399 630 Y HN -0.148 nan 8.280 nan 0.000 0.586 631 K N -0.260 119.703 120.400 -0.728 0.000 2.216 631 K HA 0.186 4.499 4.320 -0.011 0.000 0.207 631 K C -0.090 176.111 176.600 -0.665 0.000 1.041 631 K CA 0.367 56.152 56.287 -0.838 0.000 0.966 631 K CB 0.446 32.058 32.500 -1.480 0.000 0.955 631 K HN 0.139 nan 8.250 nan 0.000 0.468 632 W N 0.302 121.460 121.300 -0.237 0.000 2.703 632 W HA 0.395 5.048 4.660 -0.012 0.000 0.359 632 W C 0.050 176.499 176.519 -0.117 0.000 1.168 632 W CA -0.686 56.557 57.345 -0.169 0.000 1.177 632 W CB 0.656 30.025 29.460 -0.151 0.000 1.434 632 W HN -0.091 nan 8.180 nan 0.000 0.618 633 T N -0.476 114.176 114.554 0.164 0.000 2.916 633 T HA 0.120 4.464 4.350 -0.011 0.000 0.292 633 T C 0.950 175.688 174.700 0.064 0.000 1.064 633 T CA -0.369 61.781 62.100 0.084 0.000 1.011 633 T CB 1.619 70.473 68.868 -0.025 0.000 1.152 633 T HN 0.537 nan 8.240 nan 0.000 0.510 634 E N 1.710 121.936 120.200 0.043 0.000 2.136 634 E HA -0.260 4.084 4.350 -0.011 0.000 0.208 634 E C 1.903 178.375 176.600 -0.214 0.000 1.035 634 E CA 2.060 58.363 56.400 -0.162 0.000 0.838 634 E CB -0.461 29.005 29.700 -0.389 0.000 0.748 634 E HN 0.699 nan 8.360 nan 0.000 0.459 635 A N 0.769 123.504 122.820 -0.142 0.000 2.131 635 A HA -0.183 4.131 4.320 -0.011 0.000 0.220 635 A C 1.499 179.028 177.584 -0.092 0.000 1.158 635 A CA 1.692 53.653 52.037 -0.127 0.000 0.665 635 A CB -0.272 18.654 19.000 -0.124 0.000 0.795 635 A HN 0.377 nan 8.150 nan 0.000 0.460 636 D N -0.779 119.578 120.400 -0.072 0.000 2.340 636 D HA 0.137 4.771 4.640 -0.011 0.000 0.220 636 D C 0.061 176.238 176.300 -0.204 0.000 1.039 636 D CA 0.386 54.310 54.000 -0.126 0.000 0.866 636 D CB 0.286 40.992 40.800 -0.155 0.000 0.913 636 D HN 0.211 nan 8.370 nan 0.000 0.523 637 V N 1.060 120.894 119.914 -0.133 0.000 2.513 637 V HA 0.172 4.286 4.120 -0.011 0.000 0.299 637 V C 0.508 176.555 176.094 -0.079 0.000 1.035 637 V CA -0.933 61.302 62.300 -0.108 0.000 0.889 637 V CB 1.978 33.811 31.823 0.017 0.000 0.988 637 V HN -0.078 nan 8.190 nan 0.000 0.440 638 S N 2.894 118.542 115.700 -0.085 0.000 2.558 638 S HA 0.122 4.585 4.470 -0.011 0.000 0.291 638 S C 1.514 176.100 174.600 -0.023 0.000 1.306 638 S CA 0.212 58.373 58.200 -0.064 0.000 1.056 638 S CB 1.005 64.164 63.200 -0.069 0.000 0.836 638 S HN 1.056 nan 8.310 nan 0.000 0.504 639 A N 3.925 126.729 122.820 -0.027 0.000 1.883 639 A HA -0.220 4.094 4.320 -0.011 0.000 0.217 639 A C 2.086 179.685 177.584 0.024 0.000 1.186 639 A CA 1.822 53.858 52.037 -0.002 0.000 0.624 639 A CB -0.798 18.187 19.000 -0.025 0.000 0.822 639 A HN 0.931 nan 8.150 nan 0.000 0.444 640 N N 0.266 118.964 118.700 -0.002 0.000 2.364 640 N HA -0.132 4.601 4.740 -0.011 0.000 0.183 640 N C 1.302 176.815 175.510 0.004 0.000 1.022 640 N CA 1.683 54.732 53.050 -0.003 0.000 0.883 640 N CB -0.426 38.050 38.487 -0.019 0.000 0.965 640 N HN 0.413 nan 8.380 nan 0.000 0.438 641 I N 0.901 121.473 120.570 0.004 0.000 2.480 641 I HA -0.097 4.067 4.170 -0.011 0.000 0.251 641 I C 2.423 178.557 176.117 0.030 0.000 1.124 641 I CA 0.705 62.003 61.300 -0.004 0.000 1.444 641 I CB -1.450 36.531 38.000 -0.032 0.000 1.098 641 I HN 0.289 nan 8.210 nan 0.000 0.428 642 H N 1.825 120.878 119.070 -0.029 0.000 2.387 642 H HA -0.146 4.404 4.556 -0.011 0.000 0.299 642 H C 1.716 177.042 175.328 -0.002 0.000 1.090 642 H CA 1.574 57.614 56.048 -0.014 0.000 1.332 642 H CB 0.425 30.175 29.762 -0.019 0.000 1.386 642 H HN 0.419 nan 8.280 nan 0.000 0.516 643 E N -0.129 120.101 120.200 0.050 0.000 2.265 643 E HA -0.101 4.242 4.350 -0.011 0.000 0.196 643 E C 2.349 178.945 176.600 -0.007 0.000 0.996 643 E CA 0.749 57.151 56.400 0.002 0.000 0.832 643 E CB 0.250 29.953 29.700 0.005 0.000 0.756 643 E HN 0.258 nan 8.360 nan 0.000 0.491 644 V N 0.986 120.905 119.914 0.009 0.000 2.427 644 V HA -0.206 3.907 4.120 -0.011 0.000 0.248 644 V C 2.006 178.117 176.094 0.029 0.000 1.051 644 V CA 1.386 63.722 62.300 0.059 0.000 1.048 644 V CB -0.185 31.681 31.823 0.072 0.000 0.666 644 V HN 0.277 nan 8.190 nan 0.000 0.456 645 L N -1.525 119.665 121.223 -0.055 0.000 2.463 645 L HA 0.226 4.559 4.340 -0.011 0.000 0.219 645 L C 0.583 177.384 176.870 -0.114 0.000 1.088 645 L CA 0.407 55.195 54.840 -0.087 0.000 0.849 645 L CB 0.083 42.067 42.059 -0.125 0.000 1.012 645 L HN 0.265 nan 8.230 nan 0.000 0.468 646 M N -1.343 118.159 119.600 -0.163 0.000 2.591 646 M HA 0.432 4.905 4.480 -0.011 0.000 0.306 646 M C -1.065 175.244 176.300 0.014 0.000 1.190 646 M CA -0.364 54.879 55.300 -0.095 0.000 0.889 646 M CB 2.047 34.526 32.600 -0.202 0.000 1.728 646 M HN -0.120 nan 8.290 nan 0.000 0.458 647 H N -0.288 118.782 119.070 0.000 0.000 2.690 647 H HA 0.777 5.327 4.556 -0.010 0.000 0.368 647 H C -1.183 174.177 175.328 0.053 0.000 1.150 647 H CA -0.225 55.839 56.048 0.027 0.000 1.174 647 H CB 2.179 31.951 29.762 0.017 0.000 1.684 647 H HN 0.835 nan 8.280 nan 0.000 0.538 648 G N 1.715 110.630 108.800 0.190 0.000 2.489 648 G HA2 0.501 4.454 3.960 -0.011 0.000 0.327 648 G HA3 0.501 4.454 3.960 -0.011 0.000 0.327 648 G C -0.873 174.199 174.900 0.287 0.000 1.189 648 G CA -0.470 44.760 45.100 0.217 0.000 0.962 648 G HN 0.447 nan 8.290 nan 0.000 0.486 649 V N 0.462 120.483 119.914 0.178 0.000 2.837 649 V HA 0.438 4.551 4.120 -0.011 0.000 0.310 649 V C 0.964 177.118 176.094 0.100 0.000 1.059 649 V CA -0.536 61.843 62.300 0.132 0.000 1.004 649 V CB 1.691 33.571 31.823 0.094 0.000 1.045 649 V HN 1.034 nan 8.190 nan 0.000 0.465 650 S N 2.131 117.880 115.700 0.081 0.000 2.558 650 S HA 0.072 4.535 4.470 -0.011 0.000 0.288 650 S C 0.993 175.628 174.600 0.058 0.000 1.318 650 S CA -0.438 57.800 58.200 0.063 0.000 1.056 650 S CB 0.948 64.179 63.200 0.051 0.000 0.853 650 S HN 0.463 nan 8.310 nan 0.000 0.505 651 V N 2.415 122.358 119.914 0.048 0.000 2.515 651 V HA -0.129 3.984 4.120 -0.011 0.000 0.250 651 V C 2.387 178.510 176.094 0.048 0.000 1.058 651 V CA 2.007 64.334 62.300 0.046 0.000 1.064 651 V CB -1.393 30.449 31.823 0.031 0.000 0.675 651 V HN 0.844 nan 8.190 nan 0.000 0.461 652 E N 0.772 120.997 120.200 0.042 0.000 2.077 652 E HA -0.180 4.164 4.350 -0.011 0.000 0.193 652 E C 2.195 178.828 176.600 0.056 0.000 0.989 652 E CA 1.207 57.632 56.400 0.041 0.000 0.800 652 E CB -0.334 29.385 29.700 0.032 0.000 0.746 652 E HN 0.557 nan 8.360 nan 0.000 0.452 653 K N -0.022 120.414 120.400 0.060 0.000 2.103 653 K HA -0.065 4.248 4.320 -0.011 0.000 0.204 653 K C 2.377 179.049 176.600 0.120 0.000 1.052 653 K CA 1.655 57.987 56.287 0.075 0.000 0.945 653 K CB -0.271 32.260 32.500 0.052 0.000 0.722 653 K HN 0.325 nan 8.250 nan 0.000 0.443 654 T N -1.157 113.466 114.554 0.115 0.000 2.942 654 T HA -0.088 4.255 4.350 -0.011 0.000 0.265 654 T C 1.851 176.671 174.700 0.199 0.000 1.062 654 T CA 0.864 63.070 62.100 0.177 0.000 1.139 654 T CB 0.071 69.016 68.868 0.129 0.000 0.883 654 T HN 0.209 nan 8.240 nan 0.000 0.468 655 E N 0.972 121.241 120.200 0.115 0.000 2.051 655 E HA -0.158 4.185 4.350 -0.011 0.000 0.192 655 E C 2.504 179.143 176.600 0.064 0.000 0.991 655 E CA 0.916 57.358 56.400 0.070 0.000 0.799 655 E CB -0.107 29.618 29.700 0.043 0.000 0.748 655 E HN 0.545 nan 8.360 nan 0.000 0.449 656 R N -0.429 120.123 120.500 0.086 0.000 2.092 656 R HA -0.156 4.178 4.340 -0.011 0.000 0.231 656 R C 2.240 178.602 176.300 0.104 0.000 1.119 656 R CA 1.336 57.480 56.100 0.074 0.000 0.970 656 R CB -0.360 29.986 30.300 0.076 0.000 0.864 656 R HN 0.215 nan 8.270 nan 0.000 0.440 657 F N 0.906 120.882 119.950 0.043 0.000 2.075 657 F HA -0.182 4.338 4.527 -0.012 0.000 0.297 657 F C 1.663 177.503 175.800 0.067 0.000 1.113 657 F CA 1.181 59.233 58.000 0.086 0.000 1.218 657 F CB -0.399 38.660 39.000 0.098 0.000 0.984 657 F HN -0.014 nan 8.300 nan 0.000 0.472 658 L N 1.136 122.304 121.223 -0.092 0.000 2.042 658 L HA -0.218 4.116 4.340 -0.011 0.000 0.210 658 L C 2.639 179.335 176.870 -0.290 0.000 1.076 658 L CA 2.034 56.721 54.840 -0.254 0.000 0.749 658 L CB -1.638 40.377 42.059 -0.073 0.000 0.893 658 L HN 0.271 nan 8.230 nan 0.000 0.432 659 R N -0.173 120.230 120.500 -0.161 0.000 2.117 659 R HA -0.175 4.158 4.340 -0.011 0.000 0.243 659 R C 2.325 178.528 176.300 -0.161 0.000 1.143 659 R CA 1.864 57.880 56.100 -0.139 0.000 0.968 659 R CB -0.182 30.077 30.300 -0.068 0.000 0.863 659 R HN 0.511 nan 8.270 nan 0.000 0.444 660 S N -1.071 114.545 115.700 -0.141 0.000 2.522 660 S HA 0.020 4.483 4.470 -0.011 0.000 0.227 660 S C 1.684 176.213 174.600 -0.118 0.000 0.986 660 S CA 0.637 58.813 58.200 -0.041 0.000 0.929 660 S CB 0.458 63.718 63.200 0.100 0.000 0.769 660 S HN 0.169 nan 8.310 nan 0.000 0.529 661 V N 1.155 120.814 119.914 -0.424 0.000 2.436 661 V HA 0.255 4.369 4.120 -0.011 0.000 0.240 661 V C 1.433 177.055 176.094 -0.785 0.000 1.040 661 V CA 0.805 62.677 62.300 -0.714 0.000 1.052 661 V CB -0.449 30.746 31.823 -1.047 0.000 0.707 661 V HN 0.433 nan 8.190 nan 0.000 0.469 662 M N 0.365 119.510 119.600 -0.759 0.000 2.207 662 M HA 0.134 4.607 4.480 -0.011 0.000 0.311 662 M C -1.300 174.658 176.300 -0.570 0.000 1.127 662 M CA -0.927 53.844 55.300 -0.882 0.000 1.181 662 M CB 0.444 32.676 32.600 -0.613 0.000 1.409 662 M HN -0.001 nan 8.290 nan 0.000 0.461 663 P HA 0.018 nan 4.420 nan 0.000 0.212 663 P C -0.107 177.087 177.300 -0.176 0.000 1.180 663 P CA 1.216 64.163 63.100 -0.255 0.000 0.902 663 P CB 0.396 32.002 31.700 -0.158 0.000 0.778 664 R N 0.000 120.407 120.500 -0.155 0.000 2.786 664 R HA 0.000 4.333 4.340 -0.011 0.000 0.208 664 R CA 0.000 56.038 56.100 -0.104 0.000 0.921 664 R CB 0.000 30.264 30.300 -0.060 0.000 0.687 664 R HN 0.000 nan 8.270 nan 0.000 0.535