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 1hi0_1_P 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 0.000 177.284 177.300 -0.026 0.000 1.155 1 P CA 0.000 63.084 63.100 -0.027 0.000 0.800 1 P CB 0.000 31.685 31.700 -0.026 0.000 0.726 2 R N 2.109 122.593 120.500 -0.027 0.000 1.688 2 R HA -0.104 4.666 4.340 0.717 0.000 0.399 2 R C -0.757 175.519 176.300 -0.040 0.000 1.219 2 R CA 0.856 56.941 56.100 -0.025 0.000 0.891 2 R CB -0.560 29.732 30.300 -0.013 0.000 2.839 2 R HN 0.652 nan 8.270 nan 0.000 0.493 3 R N 3.633 124.103 120.500 -0.049 0.000 2.457 3 R HA 0.781 5.551 4.340 0.717 0.000 0.284 3 R C -0.002 176.260 176.300 -0.065 0.000 1.024 3 R CA -0.075 55.981 56.100 -0.073 0.000 1.025 3 R CB 1.329 31.577 30.300 -0.087 0.000 1.063 3 R HN 0.582 nan 8.270 nan 0.000 0.493 4 A N 4.132 126.905 122.820 -0.078 0.000 2.425 4 A HA 0.323 5.073 4.320 0.717 0.000 0.249 4 A C -1.943 175.601 177.584 -0.067 0.000 1.084 4 A CA -1.463 50.543 52.037 -0.051 0.000 0.781 4 A CB -0.297 18.678 19.000 -0.041 0.000 1.019 4 A HN 0.769 nan 8.150 nan 0.000 0.490 5 P HA 0.408 nan 4.420 nan 0.000 0.276 5 P C -0.674 176.455 177.300 -0.284 0.000 1.235 5 P CA 0.174 63.169 63.100 -0.174 0.000 0.772 5 P CB 1.286 32.959 31.700 -0.044 0.000 0.871 6 A N 3.603 126.137 122.820 -0.478 0.000 2.401 6 A HA 0.827 5.577 4.320 0.717 0.000 0.310 6 A C -1.253 175.969 177.584 -0.603 0.000 1.075 6 A CA -0.527 51.347 52.037 -0.271 0.000 0.746 6 A CB 0.940 20.059 19.000 0.200 0.000 1.277 6 A HN 0.386 nan 8.150 nan 0.000 0.425 7 F N 1.523 121.582 119.950 0.182 0.000 2.565 7 F HA 0.610 5.567 4.527 0.716 0.000 0.313 7 F C -2.337 173.574 175.800 0.185 0.000 1.091 7 F CA -2.434 55.660 58.000 0.157 0.000 0.915 7 F CB 2.075 41.161 39.000 0.144 0.000 1.208 7 F HN 0.327 nan 8.300 nan 0.000 0.453 8 P HA 0.082 nan 4.420 nan 0.000 0.276 8 P C 0.705 178.196 177.300 0.319 0.000 1.244 8 P CA -0.372 62.884 63.100 0.260 0.000 0.801 8 P CB 1.555 33.352 31.700 0.162 0.000 1.006 9 L N 2.668 124.095 121.223 0.339 0.000 2.187 9 L HA -0.190 4.580 4.340 0.717 0.000 0.213 9 L C 2.267 179.275 176.870 0.230 0.000 1.100 9 L CA 2.488 57.544 54.840 0.359 0.000 0.765 9 L CB -1.584 40.696 42.059 0.369 0.000 0.904 9 L HN 0.444 nan 8.230 nan 0.000 0.437 10 S N -2.092 113.715 115.700 0.178 0.000 2.423 10 S HA -0.133 4.767 4.470 0.717 0.000 0.231 10 S C 1.072 175.752 174.600 0.134 0.000 1.014 10 S CA 0.321 58.598 58.200 0.129 0.000 0.965 10 S CB -0.813 62.446 63.200 0.099 0.000 0.785 10 S HN 0.604 nan 8.310 nan 0.000 0.495 11 D N 1.050 121.553 120.400 0.171 0.000 2.443 11 D HA 0.016 5.086 4.640 0.717 0.000 0.239 11 D C 1.142 177.509 176.300 0.111 0.000 1.136 11 D CA -0.095 54.003 54.000 0.163 0.000 0.879 11 D CB 0.731 41.685 40.800 0.256 0.000 1.195 11 D HN 0.149 nan 8.370 nan 0.000 0.443 12 I N 4.426 125.039 120.570 0.072 0.000 2.423 12 I HA -0.250 4.350 4.170 0.717 0.000 0.254 12 I C 1.960 178.072 176.117 -0.008 0.000 1.151 12 I CA 1.550 62.875 61.300 0.040 0.000 1.421 12 I CB -0.062 37.957 38.000 0.031 0.000 1.079 12 I HN 0.379 nan 8.210 nan 0.000 0.431 13 K N 0.325 120.669 120.400 -0.093 0.000 2.148 13 K HA -0.036 4.714 4.320 0.717 0.000 0.204 13 K C 2.110 178.627 176.600 -0.137 0.000 1.050 13 K CA 1.241 57.391 56.287 -0.228 0.000 0.942 13 K CB -0.255 31.869 32.500 -0.627 0.000 0.724 13 K HN 0.480 nan 8.250 nan 0.000 0.446 14 A N 1.199 124.021 122.820 0.004 0.000 1.874 14 A HA -0.130 4.620 4.320 0.717 0.000 0.214 14 A C 2.081 179.765 177.584 0.166 0.000 1.189 14 A CA 0.825 52.944 52.037 0.137 0.000 0.615 14 A CB -0.284 18.909 19.000 0.323 0.000 0.830 14 A HN 0.118 nan 8.150 nan 0.000 0.443 15 Q N -0.270 119.635 119.800 0.176 0.000 2.133 15 Q HA -0.192 4.578 4.340 0.717 0.000 0.208 15 Q C 1.990 178.092 176.000 0.170 0.000 0.991 15 Q CA 1.657 57.582 55.803 0.204 0.000 0.867 15 Q CB -0.508 28.306 28.738 0.127 0.000 0.911 15 Q HN 0.704 nan 8.270 nan 0.000 0.417 16 M N -0.014 119.630 119.600 0.073 0.000 2.700 16 M HA -0.064 4.846 4.480 0.717 0.000 0.249 16 M C 1.518 177.841 176.300 0.038 0.000 1.082 16 M CA 0.675 56.020 55.300 0.075 0.000 1.077 16 M CB -0.180 32.475 32.600 0.091 0.000 1.477 16 M HN 0.133 nan 8.290 nan 0.000 0.529 17 L N -1.007 120.085 121.223 -0.217 0.000 2.558 17 L HA 0.109 4.879 4.340 0.717 0.000 0.225 17 L C -0.309 176.089 176.870 -0.787 0.000 1.128 17 L CA 0.115 54.605 54.840 -0.582 0.000 0.868 17 L CB -0.050 41.397 42.059 -1.019 0.000 1.006 17 L HN 0.076 nan 8.230 nan 0.000 0.454 18 F N 0.075 120.048 119.950 0.038 0.000 2.499 18 F HA 0.591 5.548 4.527 0.717 0.000 0.333 18 F C 0.610 176.438 175.800 0.046 0.000 1.138 18 F CA -1.107 56.922 58.000 0.048 0.000 0.945 18 F CB 0.792 39.763 39.000 -0.049 0.000 1.181 18 F HN -0.230 nan 8.300 nan 0.000 0.435 19 A N 1.802 124.755 122.820 0.222 0.000 2.448 19 A HA 0.085 4.835 4.320 0.717 0.000 0.239 19 A C 0.585 178.278 177.584 0.182 0.000 1.080 19 A CA -0.354 51.803 52.037 0.200 0.000 0.779 19 A CB 0.094 19.309 19.000 0.359 0.000 1.026 19 A HN 0.771 nan 8.150 nan 0.000 0.499 20 N N 0.996 119.780 118.700 0.139 0.000 3.103 20 N HA 0.121 5.291 4.740 0.717 0.000 0.305 20 N C -0.665 174.892 175.510 0.078 0.000 1.232 20 N CA 0.158 53.263 53.050 0.092 0.000 1.190 20 N CB -0.966 37.561 38.487 0.066 0.000 1.461 20 N HN 0.765 nan 8.380 nan 0.000 0.538 21 N N -0.442 118.309 118.700 0.085 0.000 2.494 21 N HA 0.263 5.433 4.740 0.717 0.000 0.270 21 N C 0.639 176.170 175.510 0.036 0.000 1.285 21 N CA -0.812 52.274 53.050 0.060 0.000 0.812 21 N CB 0.690 39.225 38.487 0.080 0.000 1.557 21 N HN -0.247 nan 8.380 nan 0.000 0.487 22 I N 0.200 120.779 120.570 0.015 0.000 2.091 22 I HA -0.230 4.370 4.170 0.717 0.000 0.239 22 I C 1.959 178.057 176.117 -0.031 0.000 1.061 22 I CA 1.443 62.737 61.300 -0.010 0.000 1.317 22 I CB -1.272 36.722 38.000 -0.010 0.000 1.031 22 I HN 0.641 nan 8.210 nan 0.000 0.401 23 K N 1.185 121.579 120.400 -0.008 0.000 2.015 23 K HA -0.198 4.552 4.320 0.717 0.000 0.216 23 K C 2.241 178.764 176.600 -0.129 0.000 1.052 23 K CA 1.892 58.163 56.287 -0.027 0.000 0.937 23 K CB -0.773 31.761 32.500 0.057 0.000 0.719 23 K HN 0.382 nan 8.250 nan 0.000 0.446 24 A N 2.034 124.843 122.820 -0.019 0.000 1.859 24 A HA -0.248 4.502 4.320 0.717 0.000 0.217 24 A C 2.249 179.668 177.584 -0.275 0.000 1.198 24 A CA 1.827 53.820 52.037 -0.074 0.000 0.629 24 A CB -0.573 18.589 19.000 0.271 0.000 0.830 24 A HN 0.324 nan 8.150 nan 0.000 0.446 25 Q N -0.423 119.286 119.800 -0.151 0.000 2.077 25 Q HA -0.257 4.513 4.340 0.717 0.000 0.206 25 Q C 2.200 178.029 176.000 -0.285 0.000 0.989 25 Q CA 2.064 57.736 55.803 -0.219 0.000 0.853 25 Q CB -0.567 28.111 28.738 -0.099 0.000 0.907 25 Q HN 0.846 nan 8.270 nan 0.000 0.418 26 Q N -0.127 119.543 119.800 -0.216 0.000 2.124 26 Q HA -0.096 4.674 4.340 0.717 0.000 0.202 26 Q C 2.069 177.928 176.000 -0.236 0.000 0.977 26 Q CA 1.306 57.004 55.803 -0.175 0.000 0.850 26 Q CB -0.205 28.464 28.738 -0.115 0.000 0.901 26 Q HN 0.402 nan 8.270 nan 0.000 0.429 27 A N 1.151 123.717 122.820 -0.423 0.000 1.902 27 A HA -0.240 4.510 4.320 0.717 0.000 0.217 27 A C 2.287 179.676 177.584 -0.326 0.000 1.181 27 A CA 1.946 53.691 52.037 -0.486 0.000 0.623 27 A CB -0.771 17.433 19.000 -1.328 0.000 0.818 27 A HN 0.483 nan 8.150 nan 0.000 0.443 28 S N -0.059 115.171 115.700 -0.784 0.000 2.368 28 S HA -0.164 4.736 4.470 0.717 0.000 0.225 28 S C 1.796 176.293 174.600 -0.171 0.000 1.030 28 S CA 1.560 59.185 58.200 -0.959 0.000 0.999 28 S CB -0.337 61.661 63.200 -2.002 0.000 0.844 28 S HN 0.616 nan 8.310 nan 0.000 0.459 29 K N 0.534 120.864 120.400 -0.117 0.000 2.243 29 K HA 0.187 4.937 4.320 0.717 0.000 0.201 29 K C 0.842 177.591 176.600 0.247 0.000 1.051 29 K CA -0.104 56.253 56.287 0.117 0.000 0.970 29 K CB -0.065 32.433 32.500 -0.002 0.000 0.755 29 K HN 0.203 nan 8.250 nan 0.000 0.465 30 R N 2.546 123.114 120.500 0.113 0.000 2.695 30 R HA -0.098 4.672 4.340 0.717 0.000 0.304 30 R C -0.289 176.150 176.300 0.233 0.000 0.836 30 R CA 0.277 56.449 56.100 0.120 0.000 1.135 30 R CB -0.012 30.331 30.300 0.072 0.000 0.882 30 R HN 0.160 nan 8.270 nan 0.000 0.413 31 S N 4.056 119.883 115.700 0.213 0.000 2.707 31 S HA 0.306 5.206 4.470 0.717 0.000 0.276 31 S C 0.001 174.728 174.600 0.212 0.000 1.179 31 S CA -0.968 57.393 58.200 0.268 0.000 0.992 31 S CB 0.621 63.937 63.200 0.192 0.000 1.030 31 S HN 0.504 nan 8.310 nan 0.000 0.554 32 F N 1.332 121.356 119.950 0.123 0.000 2.629 32 F HA 0.419 5.376 4.527 0.716 0.000 0.369 32 F C 0.225 176.069 175.800 0.073 0.000 1.125 32 F CA 0.691 58.742 58.000 0.085 0.000 1.330 32 F CB 0.229 39.277 39.000 0.080 0.000 1.071 32 F HN 0.607 nan 8.300 nan 0.000 0.595 33 K N 3.978 123.897 120.400 -0.801 0.000 2.508 33 K HA 0.444 5.194 4.320 0.717 0.000 0.260 33 K C -1.526 174.644 176.600 -0.717 0.000 0.949 33 K CA -0.773 55.214 56.287 -0.500 0.000 0.834 33 K CB 2.005 34.359 32.500 -0.244 0.000 1.365 33 K HN 0.728 nan 8.250 nan 0.000 0.437 34 E N 0.360 120.326 120.200 -0.390 0.000 2.416 34 E HA 0.793 5.573 4.350 0.717 0.000 0.280 34 E C -0.901 175.385 176.600 -0.524 0.000 1.055 34 E CA -1.436 54.713 56.400 -0.418 0.000 0.825 34 E CB 1.840 31.446 29.700 -0.157 0.000 1.312 34 E HN 0.637 nan 8.360 nan 0.000 0.452 35 G N -0.310 107.889 108.800 -1.002 0.000 2.358 35 G HA2 0.479 4.869 3.960 0.717 0.000 0.303 35 G HA3 0.479 4.869 3.960 0.717 0.000 0.303 35 G C -1.060 173.266 174.900 -0.956 0.000 1.537 35 G CA -0.460 44.043 45.100 -0.995 0.000 0.928 35 G HN 0.809 nan 8.290 nan 0.000 0.656 36 A N 0.429 122.957 122.820 -0.488 0.000 2.531 36 A HA 0.555 5.305 4.320 0.717 0.000 0.236 36 A C 0.947 178.453 177.584 -0.130 0.000 1.062 36 A CA 0.557 52.521 52.037 -0.121 0.000 0.760 36 A CB -0.197 18.888 19.000 0.143 0.000 0.995 36 A HN 1.907 nan 8.150 nan 0.000 0.501 37 I N -1.079 119.450 120.570 -0.068 0.000 2.664 37 I HA 0.481 5.081 4.170 0.717 0.000 0.308 37 I C 0.203 176.310 176.117 -0.016 0.000 0.984 37 I CA -0.619 60.649 61.300 -0.054 0.000 1.213 37 I CB 1.376 39.351 38.000 -0.043 0.000 1.379 37 I HN 0.685 nan 8.210 nan 0.000 0.501 38 E N 3.076 123.260 120.200 -0.026 0.000 1.861 38 E HA 0.131 4.911 4.350 0.717 0.000 0.263 38 E C 0.453 177.020 176.600 -0.055 0.000 1.137 38 E CA -0.168 56.218 56.400 -0.023 0.000 0.944 38 E CB 0.582 30.273 29.700 -0.015 0.000 1.092 38 E HN 0.811 nan 8.360 nan 0.000 0.420 39 T N 3.128 117.635 114.554 -0.079 0.000 2.649 39 T HA -0.201 4.579 4.350 0.717 0.000 0.268 39 T C -0.079 174.350 174.700 -0.452 0.000 1.036 39 T CA 1.639 63.614 62.100 -0.209 0.000 1.157 39 T CB -0.097 68.664 68.868 -0.178 0.000 0.861 39 T HN 0.346 nan 8.240 nan 0.000 0.445 40 Y N -0.483 119.826 120.300 0.014 0.000 2.615 40 Y HA 0.404 5.384 4.550 0.716 0.000 0.341 40 Y C -0.087 175.821 175.900 0.012 0.000 1.089 40 Y CA -1.823 56.290 58.100 0.022 0.000 1.049 40 Y CB 1.156 39.669 38.460 0.089 0.000 1.296 40 Y HN -0.074 nan 8.280 nan 0.000 0.470 41 E N 0.609 120.918 120.200 0.181 0.000 2.652 41 E HA 0.210 4.990 4.350 0.717 0.000 0.255 41 E C 0.717 177.377 176.600 0.100 0.000 0.952 41 E CA 1.478 57.933 56.400 0.091 0.000 0.947 41 E CB 0.100 29.831 29.700 0.052 0.000 0.912 41 E HN 0.905 nan 8.360 nan 0.000 0.489 42 G N 3.512 112.347 108.800 0.057 0.000 2.168 42 G HA2 -0.277 4.113 3.960 0.717 0.000 0.257 42 G HA3 -0.277 4.113 3.960 0.717 0.000 0.257 42 G C -0.112 174.811 174.900 0.038 0.000 0.997 42 G CA 0.190 45.316 45.100 0.044 0.000 0.708 42 G HN 0.446 nan 8.290 nan 0.000 0.520 43 L N 0.127 121.373 121.223 0.039 0.000 2.441 43 L HA 0.620 5.390 4.340 0.717 0.000 0.270 43 L C -0.664 176.186 176.870 -0.034 0.000 0.973 43 L CA -1.027 53.807 54.840 -0.010 0.000 0.842 43 L CB 1.283 43.324 42.059 -0.030 0.000 1.239 43 L HN -0.004 nan 8.230 nan 0.000 0.406 44 L N 2.842 124.060 121.223 -0.008 0.000 2.350 44 L HA 0.273 5.043 4.340 0.717 0.000 0.275 44 L C 1.610 178.525 176.870 0.076 0.000 1.099 44 L CA 0.540 55.398 54.840 0.029 0.000 0.808 44 L CB 1.891 43.984 42.059 0.056 0.000 1.149 44 L HN 0.766 nan 8.230 nan 0.000 0.442 45 S N 1.584 117.371 115.700 0.146 0.000 2.419 45 S HA -0.130 4.770 4.470 0.717 0.000 0.235 45 S C 1.210 176.060 174.600 0.417 0.000 1.019 45 S CA 1.157 59.566 58.200 0.349 0.000 0.982 45 S CB -0.543 62.842 63.200 0.308 0.000 0.789 45 S HN 0.569 nan 8.310 nan 0.000 0.490 46 V N -1.061 119.012 119.914 0.266 0.000 3.647 46 V HA 0.246 4.796 4.120 0.717 0.000 0.279 46 V C 0.509 176.675 176.094 0.120 0.000 1.314 46 V CA -0.198 62.211 62.300 0.182 0.000 1.125 46 V CB -0.922 30.994 31.823 0.155 0.000 0.907 46 V HN 0.323 nan 8.190 nan 0.000 0.434 47 D N 2.280 122.777 120.400 0.161 0.000 2.583 47 D HA 0.024 5.094 4.640 0.717 0.000 0.232 47 D C -1.339 175.001 176.300 0.066 0.000 1.128 47 D CA -0.910 53.154 54.000 0.106 0.000 0.859 47 D CB 1.884 42.761 40.800 0.129 0.000 1.169 47 D HN 0.145 nan 8.370 nan 0.000 0.481 48 P HA -0.151 nan 4.420 nan 0.000 0.215 48 P C 1.233 178.438 177.300 -0.158 0.000 1.157 48 P CA 1.514 64.550 63.100 -0.106 0.000 0.874 48 P CB 0.196 31.829 31.700 -0.111 0.000 0.790 49 R N -1.895 118.464 120.500 -0.235 0.000 2.096 49 R HA -0.165 4.605 4.340 0.717 0.000 0.240 49 R C 2.230 178.286 176.300 -0.407 0.000 1.139 49 R CA 1.403 57.180 56.100 -0.538 0.000 0.952 49 R CB -1.360 28.331 30.300 -1.014 0.000 0.854 49 R HN 0.147 nan 8.270 nan 0.000 0.436 50 F N 1.237 121.054 119.950 -0.221 0.000 2.069 50 F HA -0.154 4.803 4.527 0.717 0.000 0.298 50 F C 1.836 177.705 175.800 0.114 0.000 1.113 50 F CA 1.451 59.516 58.000 0.108 0.000 1.214 50 F CB -0.509 38.638 39.000 0.246 0.000 0.978 50 F HN -0.088 nan 8.300 nan 0.000 0.474 51 L N -0.958 120.258 121.223 -0.011 0.000 2.042 51 L HA -0.279 4.491 4.340 0.717 0.000 0.210 51 L C 2.727 179.478 176.870 -0.199 0.000 1.076 51 L CA 1.681 56.367 54.840 -0.257 0.000 0.749 51 L CB -1.300 40.452 42.059 -0.512 0.000 0.893 51 L HN 0.221 nan 8.230 nan 0.000 0.432 52 S N 0.045 115.640 115.700 -0.174 0.000 2.365 52 S HA -0.269 4.631 4.470 0.717 0.000 0.225 52 S C 1.990 176.542 174.600 -0.080 0.000 1.039 52 S CA 1.739 59.859 58.200 -0.133 0.000 1.033 52 S CB -0.431 62.666 63.200 -0.171 0.000 0.887 52 S HN 0.421 nan 8.310 nan 0.000 0.447 53 F N 1.984 121.790 119.950 -0.239 0.000 2.069 53 F HA -0.081 4.877 4.527 0.717 0.000 0.298 53 F C 2.220 177.913 175.800 -0.178 0.000 1.113 53 F CA 2.204 60.078 58.000 -0.209 0.000 1.214 53 F CB -0.744 38.136 39.000 -0.200 0.000 0.978 53 F HN 0.143 nan 8.300 nan 0.000 0.474 54 K N 0.092 120.245 120.400 -0.411 0.000 2.074 54 K HA -0.289 4.461 4.320 0.717 0.000 0.209 54 K C 2.007 178.492 176.600 -0.191 0.000 1.048 54 K CA 1.841 57.871 56.287 -0.428 0.000 0.926 54 K CB -0.481 31.930 32.500 -0.149 0.000 0.713 54 K HN 0.478 nan 8.250 nan 0.000 0.444 55 N N 0.718 119.430 118.700 0.019 0.000 2.058 55 N HA -0.218 4.952 4.740 0.717 0.000 0.191 55 N C 1.811 177.315 175.510 -0.011 0.000 1.037 55 N CA 1.595 54.688 53.050 0.072 0.000 0.848 55 N CB 0.024 38.606 38.487 0.158 0.000 1.021 55 N HN 0.199 nan 8.380 nan 0.000 0.422 56 E N -0.525 119.633 120.200 -0.070 0.000 2.051 56 E HA -0.194 4.587 4.350 0.717 0.000 0.192 56 E C 1.921 178.472 176.600 -0.081 0.000 0.991 56 E CA 0.921 57.292 56.400 -0.049 0.000 0.799 56 E CB -0.155 29.504 29.700 -0.068 0.000 0.748 56 E HN 0.372 nan 8.360 nan 0.000 0.449 57 L N 1.104 122.151 121.223 -0.294 0.000 2.017 57 L HA -0.197 4.573 4.340 0.717 0.000 0.208 57 L C 2.547 179.339 176.870 -0.129 0.000 1.073 57 L CA 2.487 57.133 54.840 -0.323 0.000 0.745 57 L CB -0.926 40.684 42.059 -0.748 0.000 0.894 57 L HN 0.243 nan 8.230 nan 0.000 0.432 58 S N -0.574 115.075 115.700 -0.085 0.000 2.353 58 S HA -0.280 4.620 4.470 0.717 0.000 0.222 58 S C 2.148 176.921 174.600 0.287 0.000 1.035 58 S CA 1.360 59.632 58.200 0.121 0.000 1.025 58 S CB -0.738 62.578 63.200 0.194 0.000 0.902 58 S HN 0.489 nan 8.310 nan 0.000 0.440 59 R N -0.083 120.629 120.500 0.353 0.000 2.094 59 R HA -0.104 4.666 4.340 0.717 0.000 0.239 59 R C 2.392 178.881 176.300 0.316 0.000 1.137 59 R CA 1.942 58.316 56.100 0.456 0.000 0.943 59 R CB -0.834 29.658 30.300 0.321 0.000 0.850 59 R HN 0.615 nan 8.270 nan 0.000 0.433 60 Y N 1.401 121.757 120.300 0.093 0.000 2.097 60 Y HA -0.258 4.722 4.550 0.717 0.000 0.282 60 Y C 2.016 177.943 175.900 0.046 0.000 1.152 60 Y CA 1.710 59.835 58.100 0.042 0.000 1.136 60 Y CB -0.305 38.102 38.460 -0.088 0.000 0.975 60 Y HN -0.012 nan 8.280 nan 0.000 0.498 61 L N -0.758 120.511 121.223 0.076 0.000 2.012 61 L HA -0.289 4.481 4.340 0.717 0.000 0.210 61 L C 2.350 179.165 176.870 -0.093 0.000 1.073 61 L CA 2.073 56.785 54.840 -0.213 0.000 0.748 61 L CB -1.039 40.426 42.059 -0.989 0.000 0.891 61 L HN 0.272 nan 8.230 nan 0.000 0.431 62 T N -1.282 113.306 114.554 0.057 0.000 2.759 62 T HA -0.244 4.536 4.350 0.717 0.000 0.269 62 T C 1.607 176.388 174.700 0.135 0.000 1.042 62 T CA 1.624 63.844 62.100 0.200 0.000 1.140 62 T CB -0.254 68.508 68.868 -0.176 0.000 0.864 62 T HN 0.394 nan 8.240 nan 0.000 0.455 63 D N 0.385 120.846 120.400 0.103 0.000 2.103 63 D HA -0.096 4.974 4.640 0.717 0.000 0.199 63 D C 1.626 177.845 176.300 -0.135 0.000 0.978 63 D CA 1.069 55.085 54.000 0.027 0.000 0.829 63 D CB -0.025 40.816 40.800 0.069 0.000 0.981 63 D HN 0.425 nan 8.370 nan 0.000 0.464 64 H N -1.777 117.042 119.070 -0.418 0.000 2.551 64 H HA 0.163 5.149 4.556 0.716 0.000 0.266 64 H C -0.320 174.435 175.328 -0.955 0.000 0.977 64 H CA 0.390 55.998 56.048 -0.733 0.000 1.163 64 H CB -0.007 29.105 29.762 -1.083 0.000 1.381 64 H HN 0.047 nan 8.280 nan 0.000 0.581 65 F N 1.333 121.317 119.950 0.056 0.000 2.794 65 F HA 0.274 5.230 4.527 0.716 0.000 0.353 65 F C -2.512 173.396 175.800 0.179 0.000 1.371 65 F CA -2.466 55.610 58.000 0.127 0.000 1.173 65 F CB 1.076 40.181 39.000 0.175 0.000 1.693 65 F HN -0.106 nan 8.300 nan 0.000 0.606 66 P HA 0.194 nan 4.420 nan 0.000 0.272 66 P C 0.005 177.365 177.300 0.100 0.000 1.223 66 P CA -0.113 63.059 63.100 0.121 0.000 0.784 66 P CB 1.120 32.854 31.700 0.056 0.000 0.923 67 A N 2.819 125.670 122.820 0.050 0.000 2.520 67 A HA 0.023 4.773 4.320 0.717 0.000 0.235 67 A C 0.359 177.917 177.584 -0.043 0.000 1.065 67 A CA 0.116 52.153 52.037 0.001 0.000 0.764 67 A CB -0.826 18.183 19.000 0.016 0.000 1.002 67 A HN 0.636 nan 8.150 nan 0.000 0.502 68 N N 0.866 119.452 118.700 -0.189 0.000 2.904 68 N HA 0.428 5.598 4.740 0.717 0.000 0.257 68 N C -1.606 173.563 175.510 -0.569 0.000 1.363 68 N CA -0.263 52.448 53.050 -0.564 0.000 0.856 68 N CB 1.359 39.284 38.487 -0.936 0.000 1.166 68 N HN 0.352 nan 8.380 nan 0.000 0.499 69 V N 1.302 121.167 119.914 -0.081 0.000 2.525 69 V HA 0.184 4.734 4.120 0.717 0.000 0.299 69 V C -0.154 176.104 176.094 0.273 0.000 1.034 69 V CA -1.043 61.292 62.300 0.058 0.000 0.863 69 V CB 1.647 33.352 31.823 -0.197 0.000 0.999 69 V HN 0.486 nan 8.190 nan 0.000 0.423 70 D N 2.928 123.547 120.400 0.365 0.000 2.414 70 D HA 0.126 5.196 4.640 0.717 0.000 0.251 70 D C 0.871 177.281 176.300 0.184 0.000 1.252 70 D CA -0.519 53.638 54.000 0.261 0.000 0.999 70 D CB 0.824 41.735 40.800 0.184 0.000 1.093 70 D HN 0.424 nan 8.370 nan 0.000 0.515 71 E N -1.376 118.887 120.200 0.105 0.000 2.333 71 E HA -0.165 4.615 4.350 0.717 0.000 0.200 71 E C 0.364 176.776 176.600 -0.312 0.000 1.010 71 E CA 1.127 57.488 56.400 -0.065 0.000 0.841 71 E CB -0.542 29.058 29.700 -0.167 0.000 0.757 71 E HN 0.482 nan 8.360 nan 0.000 0.508 72 Y N -0.879 119.405 120.300 -0.026 0.000 2.607 72 Y HA 0.328 5.309 4.550 0.718 0.000 0.266 72 Y C 1.568 177.560 175.900 0.153 0.000 1.178 72 Y CA 0.048 58.097 58.100 -0.084 0.000 1.226 72 Y CB 0.696 39.039 38.460 -0.195 0.000 1.144 72 Y HN 0.095 nan 8.280 nan 0.000 0.528 73 G N 0.848 109.842 108.800 0.322 0.000 2.196 73 G HA2 -0.339 4.051 3.960 0.717 0.000 0.268 73 G HA3 -0.339 4.051 3.960 0.717 0.000 0.268 73 G C 0.410 175.457 174.900 0.246 0.000 0.975 73 G CA -0.114 45.180 45.100 0.324 0.000 0.648 73 G HN 0.355 nan 8.290 nan 0.000 0.538 74 R N -0.061 120.615 120.500 0.293 0.000 2.389 74 R HA 0.454 5.224 4.340 0.717 0.000 0.295 74 R C 0.282 176.790 176.300 0.346 0.000 1.075 74 R CA 0.133 56.446 56.100 0.354 0.000 1.005 74 R CB 1.875 32.262 30.300 0.145 0.000 0.987 74 R HN 0.500 nan 8.270 nan 0.000 0.452 75 V N 4.998 125.107 119.914 0.325 0.000 2.394 75 V HA 0.481 5.031 4.120 0.717 0.000 0.282 75 V C -0.910 175.312 176.094 0.214 0.000 1.031 75 V CA -0.329 62.058 62.300 0.146 0.000 0.881 75 V CB 0.532 32.370 31.823 0.025 0.000 0.982 75 V HN 0.785 nan 8.190 nan 0.000 0.451 76 Y N 4.577 124.959 120.300 0.137 0.000 3.013 76 Y HA 0.985 5.965 4.550 0.715 0.000 0.310 76 Y C 1.016 176.977 175.900 0.102 0.000 1.450 76 Y CA -0.411 57.765 58.100 0.126 0.000 1.091 76 Y CB 0.308 38.845 38.460 0.129 0.000 1.373 76 Y HN 1.328 nan 8.280 nan 0.000 0.590 77 G N 1.397 110.341 108.800 0.239 0.000 2.622 77 G HA2 -0.459 3.932 3.960 0.717 0.000 0.307 77 G HA3 -0.459 3.932 3.960 0.717 0.000 0.307 77 G C 0.620 175.554 174.900 0.056 0.000 1.226 77 G CA 0.862 46.040 45.100 0.129 0.000 0.997 77 G HN 1.454 nan 8.290 nan 0.000 0.551 78 N N 2.089 120.809 118.700 0.032 0.000 2.571 78 N HA 0.257 5.427 4.740 0.717 0.000 0.189 78 N C 1.778 177.327 175.510 0.066 0.000 1.154 78 N CA 1.082 54.195 53.050 0.104 0.000 0.907 78 N CB -0.041 38.572 38.487 0.211 0.000 0.977 78 N HN 2.207 nan 8.380 nan 0.000 0.449 79 G N 0.217 109.016 108.800 -0.002 0.000 2.184 79 G HA2 -0.300 4.090 3.960 0.717 0.000 0.264 79 G HA3 -0.300 4.090 3.960 0.717 0.000 0.264 79 G C 0.046 174.946 174.900 0.001 0.000 0.975 79 G CA 0.333 45.435 45.100 0.005 0.000 0.642 79 G HN 0.262 nan 8.290 nan 0.000 0.536 80 V N 1.815 121.733 119.914 0.007 0.000 2.470 80 V HA 0.352 4.902 4.120 0.717 0.000 0.276 80 V C 1.631 177.679 176.094 -0.076 0.000 1.040 80 V CA 0.730 63.023 62.300 -0.013 0.000 1.008 80 V CB 1.172 33.053 31.823 0.096 0.000 0.990 80 V HN 0.614 nan 8.190 nan 0.000 0.477 81 R N 2.858 123.299 120.500 -0.099 0.000 2.362 81 R HA 0.307 5.077 4.340 0.717 0.000 0.227 81 R C 0.550 176.813 176.300 -0.061 0.000 0.905 81 R CA 0.280 56.337 56.100 -0.072 0.000 1.067 81 R CB 0.658 30.934 30.300 -0.040 0.000 1.078 81 R HN 0.627 nan 8.270 nan 0.000 0.516 82 T N 0.008 114.463 114.554 -0.164 0.000 2.677 82 T HA 0.148 4.928 4.350 0.717 0.000 0.305 82 T C -1.589 172.888 174.700 -0.372 0.000 1.569 82 T CA -0.736 61.261 62.100 -0.173 0.000 0.984 82 T CB 0.824 69.623 68.868 -0.115 0.000 1.629 82 T HN 0.414 nan 8.240 nan 0.000 0.494 83 N N 0.153 118.672 118.700 -0.302 0.000 2.294 83 N HA 0.302 5.472 4.740 0.717 0.000 0.248 83 N C -0.056 175.116 175.510 -0.563 0.000 1.300 83 N CA -0.052 52.748 53.050 -0.417 0.000 0.925 83 N CB -0.084 38.085 38.487 -0.530 0.000 1.188 83 N HN 0.483 nan 8.380 nan 0.000 0.512 84 F N -1.994 117.706 119.950 -0.416 0.000 2.647 84 F HA 0.392 5.349 4.527 0.718 0.000 0.300 84 F C 0.381 176.126 175.800 -0.091 0.000 1.106 84 F CA -0.596 57.294 58.000 -0.184 0.000 1.313 84 F CB -0.475 38.472 39.000 -0.089 0.000 1.007 84 F HN 0.361 nan 8.300 nan 0.000 0.536 85 F N -0.261 119.760 119.950 0.120 0.000 2.771 85 F HA 0.066 5.023 4.527 0.717 0.000 0.299 85 F C 2.219 177.970 175.800 -0.083 0.000 1.177 85 F CA 0.060 58.040 58.000 -0.033 0.000 1.450 85 F CB -0.329 38.661 39.000 -0.016 0.000 1.114 85 F HN 0.182 nan 8.300 nan 0.000 0.587 86 G N 1.345 110.239 108.800 0.158 0.000 2.443 86 G HA2 -0.254 4.136 3.960 0.717 0.000 0.219 86 G HA3 -0.254 4.136 3.960 0.717 0.000 0.219 86 G C 1.627 176.666 174.900 0.232 0.000 1.131 86 G CA 0.699 45.909 45.100 0.184 0.000 0.775 86 G HN 0.474 nan 8.290 nan 0.000 0.547 87 M N -0.395 119.300 119.600 0.158 0.000 2.557 87 M HA 0.238 5.148 4.480 0.717 0.000 0.259 87 M C 1.458 177.768 176.300 0.018 0.000 1.086 87 M CA 0.654 56.048 55.300 0.158 0.000 1.096 87 M CB -0.074 32.614 32.600 0.146 0.000 1.424 87 M HN -0.111 nan 8.290 nan 0.000 0.488 88 R N 1.862 122.199 120.500 -0.272 0.000 4.160 88 R HA 0.114 4.884 4.340 0.717 0.000 0.216 88 R C -0.601 175.342 176.300 -0.594 0.000 2.009 88 R CA 0.197 55.794 56.100 -0.838 0.000 1.664 88 R CB -0.783 28.849 30.300 -1.115 0.000 1.216 88 R HN 0.512 nan 8.270 nan 0.000 0.648 89 H N 0.280 119.403 119.070 0.089 0.000 2.622 89 H HA 0.243 5.229 4.556 0.717 0.000 0.363 89 H C 0.351 175.880 175.328 0.334 0.000 1.151 89 H CA -0.866 55.322 56.048 0.233 0.000 1.184 89 H CB 1.769 31.641 29.762 0.183 0.000 1.643 89 H HN -0.079 nan 8.280 nan 0.000 0.531 90 M N 2.715 122.587 119.600 0.454 0.000 3.213 90 M HA 0.060 4.970 4.480 0.717 0.000 0.275 90 M C -0.209 176.359 176.300 0.447 0.000 1.424 90 M CA -0.444 55.105 55.300 0.415 0.000 1.561 90 M CB -1.178 31.608 32.600 0.312 0.000 1.109 90 M HN 0.315 nan 8.290 nan 0.000 0.552 91 N N 2.241 121.150 118.700 0.348 0.000 2.301 91 N HA 0.082 5.252 4.740 0.717 0.000 0.267 91 N C 1.338 176.902 175.510 0.090 0.000 1.304 91 N CA 1.074 54.249 53.050 0.208 0.000 0.851 91 N CB 0.428 39.029 38.487 0.189 0.000 1.070 91 N HN 0.916 nan 8.380 nan 0.000 0.483 92 G N 1.048 109.814 108.800 -0.057 0.000 2.284 92 G HA2 -0.203 4.187 3.960 0.717 0.000 0.201 92 G HA3 -0.203 4.187 3.960 0.717 0.000 0.201 92 G C -0.405 174.151 174.900 -0.574 0.000 0.998 92 G CA -0.619 44.273 45.100 -0.348 0.000 0.651 92 G HN 0.427 nan 8.290 nan 0.000 0.489 93 F N 3.640 123.607 119.950 0.028 0.000 2.347 93 F HA 0.516 5.473 4.527 0.716 0.000 0.366 93 F C -1.659 174.196 175.800 0.092 0.000 1.107 93 F CA -2.240 55.801 58.000 0.069 0.000 1.058 93 F CB 2.235 41.300 39.000 0.108 0.000 1.236 93 F HN -0.118 nan 8.300 nan 0.000 0.456 94 P HA 0.183 nan 4.420 nan 0.000 0.276 94 P C -0.480 176.931 177.300 0.186 0.000 1.252 94 P CA -0.562 62.623 63.100 0.142 0.000 0.802 94 P CB 1.213 32.967 31.700 0.089 0.000 1.035 95 M N 0.514 120.175 119.600 0.101 0.000 2.226 95 M HA 0.442 5.352 4.480 0.717 0.000 0.324 95 M C -0.368 175.967 176.300 0.058 0.000 1.112 95 M CA 0.322 55.674 55.300 0.087 0.000 1.176 95 M CB 0.053 32.672 32.600 0.032 0.000 1.430 95 M HN 0.063 nan 8.290 nan 0.000 0.462 96 I N 2.093 122.689 120.570 0.043 0.000 2.498 96 I HA 0.552 5.152 4.170 0.717 0.000 0.290 96 I C -2.400 173.728 176.117 0.019 0.000 1.032 96 I CA -1.878 59.419 61.300 -0.005 0.000 1.073 96 I CB 1.733 39.708 38.000 -0.041 0.000 1.251 96 I HN 0.626 nan 8.210 nan 0.000 0.426 97 P HA 0.497 nan 4.420 nan 0.000 0.289 97 P C -0.774 176.461 177.300 -0.109 0.000 1.300 97 P CA -0.413 62.669 63.100 -0.029 0.000 0.828 97 P CB 1.839 33.589 31.700 0.083 0.000 1.235 98 A N -0.253 122.454 122.820 -0.190 0.000 2.246 98 A HA 0.495 5.245 4.320 0.717 0.000 0.291 98 A C 0.411 177.888 177.584 -0.179 0.000 1.103 98 A CA -0.182 51.662 52.037 -0.321 0.000 0.844 98 A CB -0.502 18.003 19.000 -0.825 0.000 1.136 98 A HN 0.511 nan 8.150 nan 0.000 0.500 99 T N -0.701 113.774 114.554 -0.131 0.000 2.913 99 T HA 0.383 5.163 4.350 0.717 0.000 0.287 99 T C -0.998 173.723 174.700 0.035 0.000 1.008 99 T CA 0.004 62.083 62.100 -0.035 0.000 1.067 99 T CB 0.040 68.869 68.868 -0.066 0.000 0.996 99 T HN 0.386 nan 8.240 nan 0.000 0.513 100 W N 5.632 126.938 121.300 0.009 0.000 2.338 100 W HA 0.372 5.461 4.660 0.716 0.000 0.307 100 W C -1.840 174.679 176.519 0.001 0.000 1.167 100 W CA -2.078 55.299 57.345 0.055 0.000 1.208 100 W CB 0.729 30.244 29.460 0.093 0.000 1.228 100 W HN 0.486 nan 8.180 nan 0.000 0.499 101 P HA 0.002 nan 4.420 nan 0.000 0.271 101 P C -0.566 176.789 177.300 0.091 0.000 1.220 101 P CA -0.210 62.929 63.100 0.065 0.000 0.768 101 P CB 1.145 32.844 31.700 -0.001 0.000 0.848 102 L N 3.585 124.831 121.223 0.039 0.000 2.477 102 L HA 0.114 4.884 4.340 0.717 0.000 0.272 102 L C 1.752 178.634 176.870 0.020 0.000 1.157 102 L CA 0.427 55.293 54.840 0.042 0.000 0.889 102 L CB 0.258 42.331 42.059 0.022 0.000 1.158 102 L HN 0.515 nan 8.230 nan 0.000 0.473 103 A N 2.811 125.642 122.820 0.017 0.000 1.968 103 A HA 0.032 4.782 4.320 0.717 0.000 0.217 103 A C 1.079 178.663 177.584 0.001 0.000 1.169 103 A CA 1.220 53.262 52.037 0.008 0.000 0.638 103 A CB -0.107 18.890 19.000 -0.005 0.000 0.812 103 A HN 0.599 nan 8.150 nan 0.000 0.446 104 S N -0.771 114.929 115.700 -0.000 0.000 2.575 104 S HA 0.408 5.308 4.470 0.717 0.000 0.278 104 S C -0.116 174.490 174.600 0.009 0.000 1.139 104 S CA -0.292 57.910 58.200 0.004 0.000 0.954 104 S CB 0.926 64.126 63.200 0.001 0.000 1.054 104 S HN 0.465 nan 8.310 nan 0.000 0.483 105 N N 5.372 124.081 118.700 0.015 0.000 2.203 105 N HA 0.129 5.299 4.740 0.717 0.000 0.207 105 N C 1.239 176.784 175.510 0.059 0.000 1.130 105 N CA -0.066 52.994 53.050 0.017 0.000 0.861 105 N CB -0.409 38.075 38.487 -0.004 0.000 1.005 105 N HN 0.592 nan 8.380 nan 0.000 0.507 106 L N 0.428 121.686 121.223 0.057 0.000 1.990 106 L HA -0.167 4.603 4.340 0.717 0.000 0.213 106 L C 2.614 179.532 176.870 0.080 0.000 1.072 106 L CA 1.738 56.624 54.840 0.077 0.000 0.755 106 L CB -0.477 41.617 42.059 0.059 0.000 0.889 106 L HN 0.264 nan 8.230 nan 0.000 0.432 107 K N 0.975 121.406 120.400 0.051 0.000 2.025 107 K HA -0.242 4.508 4.320 0.717 0.000 0.207 107 K C 2.263 178.911 176.600 0.079 0.000 1.049 107 K CA 1.600 57.914 56.287 0.045 0.000 0.933 107 K CB -0.071 32.431 32.500 0.003 0.000 0.714 107 K HN 0.085 nan 8.250 nan 0.000 0.438 108 K N 0.697 121.145 120.400 0.081 0.000 2.089 108 K HA -0.219 4.531 4.320 0.717 0.000 0.210 108 K C 2.158 178.908 176.600 0.251 0.000 1.048 108 K CA 1.707 58.063 56.287 0.113 0.000 0.926 108 K CB -0.051 32.451 32.500 0.003 0.000 0.714 108 K HN 0.149 nan 8.250 nan 0.000 0.448 109 R N -0.285 120.375 120.500 0.267 0.000 2.075 109 R HA -0.075 4.695 4.340 0.717 0.000 0.232 109 R C 2.458 178.880 176.300 0.204 0.000 1.126 109 R CA 1.193 57.495 56.100 0.336 0.000 0.963 109 R CB -0.322 30.145 30.300 0.278 0.000 0.858 109 R HN 0.302 nan 8.270 nan 0.000 0.435 110 A N 1.595 124.502 122.820 0.145 0.000 1.858 110 A HA -0.190 4.560 4.320 0.717 0.000 0.216 110 A C 1.570 179.207 177.584 0.088 0.000 1.190 110 A CA 1.811 53.905 52.037 0.095 0.000 0.617 110 A CB -0.499 18.542 19.000 0.068 0.000 0.827 110 A HN 0.184 nan 8.150 nan 0.000 0.443 111 D N 0.188 120.645 120.400 0.097 0.000 2.221 111 D HA -0.072 4.998 4.640 0.717 0.000 0.204 111 D C 1.824 178.187 176.300 0.104 0.000 0.982 111 D CA 1.420 55.473 54.000 0.088 0.000 0.857 111 D CB -0.310 40.543 40.800 0.089 0.000 0.934 111 D HN 0.463 nan 8.370 nan 0.000 0.475 112 A N 0.055 122.962 122.820 0.145 0.000 2.238 112 A HA -0.044 4.706 4.320 0.717 0.000 0.208 112 A C 0.348 177.963 177.584 0.052 0.000 1.177 112 A CA 0.204 52.315 52.037 0.124 0.000 0.804 112 A CB 0.115 19.227 19.000 0.185 0.000 0.823 112 A HN 0.045 nan 8.150 nan 0.000 0.482 113 D N -0.818 119.613 120.400 0.053 0.000 2.739 113 D HA -0.118 4.952 4.640 0.717 0.000 0.240 113 D C -0.767 175.535 176.300 0.004 0.000 1.114 113 D CA 0.785 54.799 54.000 0.023 0.000 0.695 113 D CB -1.175 39.633 40.800 0.013 0.000 1.078 113 D HN 0.451 nan 8.370 nan 0.000 0.434 114 L N 0.020 121.260 121.223 0.028 0.000 2.346 114 L HA 0.699 5.469 4.340 0.717 0.000 0.274 114 L C 0.987 177.900 176.870 0.072 0.000 1.007 114 L CA -0.929 53.932 54.840 0.034 0.000 0.818 114 L CB 1.726 43.811 42.059 0.044 0.000 1.284 114 L HN 0.049 nan 8.230 nan 0.000 0.424 115 A N 0.970 123.818 122.820 0.047 0.000 2.520 115 A HA 0.129 4.879 4.320 0.717 0.000 0.235 115 A C 0.354 177.987 177.584 0.082 0.000 1.065 115 A CA 0.002 52.046 52.037 0.012 0.000 0.764 115 A CB -0.023 18.929 19.000 -0.081 0.000 1.002 115 A HN 0.865 nan 8.150 nan 0.000 0.502 116 D N 0.187 120.521 120.400 -0.110 0.000 2.427 116 D HA 0.440 5.510 4.640 0.717 0.000 0.224 116 D C 0.358 176.142 176.300 -0.861 0.000 1.157 116 D CA 0.531 54.428 54.000 -0.171 0.000 0.828 116 D CB -0.168 40.604 40.800 -0.046 0.000 0.974 116 D HN 0.948 nan 8.370 nan 0.000 0.498 117 G N -0.555 107.357 108.800 -1.480 0.000 2.316 117 G HA2 0.341 4.731 3.960 0.717 0.000 0.296 117 G HA3 0.341 4.731 3.960 0.717 0.000 0.296 117 G C -3.222 170.918 174.900 -1.267 0.000 1.399 117 G CA -1.154 42.792 45.100 -1.924 0.000 0.833 117 G HN -0.119 nan 8.290 nan 0.000 0.565 118 P HA 0.198 nan 4.420 nan 0.000 0.265 118 P C 1.109 178.386 177.300 -0.039 0.000 1.193 118 P CA -0.013 63.011 63.100 -0.127 0.000 0.765 118 P CB 1.459 33.170 31.700 0.018 0.000 0.823 119 V N 1.889 121.881 119.914 0.129 0.000 2.878 119 V HA 0.047 4.597 4.120 0.717 0.000 0.250 119 V C 0.542 176.632 176.094 -0.008 0.000 1.075 119 V CA 1.800 64.093 62.300 -0.011 0.000 1.096 119 V CB -0.238 31.534 31.823 -0.085 0.000 0.724 119 V HN 0.629 nan 8.190 nan 0.000 0.467 120 S N -1.022 114.700 115.700 0.037 0.000 2.600 120 S HA 0.504 5.404 4.470 0.717 0.000 0.300 120 S C 0.575 175.182 174.600 0.011 0.000 1.087 120 S CA 0.186 58.390 58.200 0.006 0.000 0.965 120 S CB 1.740 64.937 63.200 -0.005 0.000 1.089 120 S HN 0.261 nan 8.310 nan 0.000 0.496 121 E N 1.420 121.614 120.200 -0.009 0.000 2.160 121 E HA -0.160 4.620 4.350 0.717 0.000 0.195 121 E C 1.971 178.566 176.600 -0.008 0.000 0.991 121 E CA 1.592 57.988 56.400 -0.007 0.000 0.810 121 E CB -0.207 29.483 29.700 -0.018 0.000 0.742 121 E HN 0.702 nan 8.360 nan 0.000 0.466 122 R N 0.214 120.698 120.500 -0.027 0.000 2.082 122 R HA -0.179 4.591 4.340 0.717 0.000 0.234 122 R C 1.464 177.733 176.300 -0.052 0.000 1.136 122 R CA 2.099 58.166 56.100 -0.055 0.000 0.935 122 R CB -0.403 29.848 30.300 -0.082 0.000 0.842 122 R HN 0.174 nan 8.270 nan 0.000 0.430 123 D N 0.125 120.513 120.400 -0.020 0.000 2.133 123 D HA -0.197 4.873 4.640 0.717 0.000 0.195 123 D C 1.586 177.922 176.300 0.060 0.000 0.997 123 D CA 1.561 55.540 54.000 -0.035 0.000 0.840 123 D CB -0.635 40.261 40.800 0.160 0.000 0.947 123 D HN 0.340 nan 8.370 nan 0.000 0.452 124 N N 0.205 118.986 118.700 0.135 0.000 2.104 124 N HA -0.125 5.045 4.740 0.717 0.000 0.190 124 N C 1.769 177.357 175.510 0.131 0.000 1.024 124 N CA 0.950 54.110 53.050 0.183 0.000 0.853 124 N CB -0.318 38.219 38.487 0.084 0.000 1.008 124 N HN 0.151 nan 8.380 nan 0.000 0.424 125 L N -0.057 121.193 121.223 0.044 0.000 2.017 125 L HA -0.144 4.626 4.340 0.717 0.000 0.208 125 L C 2.363 179.230 176.870 -0.004 0.000 1.073 125 L CA 0.894 55.744 54.840 0.016 0.000 0.745 125 L CB -0.539 41.511 42.059 -0.016 0.000 0.894 125 L HN 0.258 nan 8.230 nan 0.000 0.432 126 L N -1.221 119.958 121.223 -0.074 0.000 2.012 126 L HA -0.263 4.507 4.340 0.717 0.000 0.210 126 L C 2.550 179.352 176.870 -0.114 0.000 1.073 126 L CA 1.644 56.389 54.840 -0.159 0.000 0.748 126 L CB -0.607 41.281 42.059 -0.284 0.000 0.891 126 L HN 0.111 nan 8.230 nan 0.000 0.431 127 F N -0.178 119.770 119.950 -0.003 0.000 2.095 127 F HA -0.238 4.724 4.527 0.725 0.000 0.298 127 F C 2.766 178.583 175.800 0.030 0.000 1.104 127 F CA 1.197 59.212 58.000 0.024 0.000 1.232 127 F CB -0.267 38.756 39.000 0.037 0.000 0.987 127 F HN -0.083 nan 8.300 nan 0.000 0.475 128 R N -0.081 120.548 120.500 0.216 0.000 2.148 128 R HA -0.086 4.684 4.340 0.717 0.000 0.227 128 R C 2.337 178.682 176.300 0.076 0.000 1.103 128 R CA 0.903 57.074 56.100 0.117 0.000 0.983 128 R CB -0.509 29.841 30.300 0.083 0.000 0.874 128 R HN 0.281 nan 8.270 nan 0.000 0.451 129 A N 1.084 123.929 122.820 0.041 0.000 1.897 129 A HA -0.039 4.711 4.320 0.717 0.000 0.215 129 A C 2.355 179.943 177.584 0.007 0.000 1.181 129 A CA 1.379 53.413 52.037 -0.006 0.000 0.620 129 A CB -0.622 18.332 19.000 -0.076 0.000 0.821 129 A HN 0.353 nan 8.150 nan 0.000 0.443 130 A N -0.333 122.504 122.820 0.027 0.000 1.917 130 A HA -0.089 4.661 4.320 0.717 0.000 0.219 130 A C 2.240 180.014 177.584 0.317 0.000 1.182 130 A CA 2.051 54.203 52.037 0.191 0.000 0.633 130 A CB -1.054 18.149 19.000 0.338 0.000 0.819 130 A HN 0.417 nan 8.150 nan 0.000 0.448 131 V N 0.017 120.064 119.914 0.223 0.000 2.295 131 V HA -0.289 4.261 4.120 0.717 0.000 0.246 131 V C 2.654 178.881 176.094 0.221 0.000 1.049 131 V CA 2.287 64.695 62.300 0.180 0.000 1.024 131 V CB -0.857 30.949 31.823 -0.029 0.000 0.648 131 V HN 0.542 nan 8.190 nan 0.000 0.447 132 R N -0.258 120.331 120.500 0.148 0.000 2.083 132 R HA -0.121 4.649 4.340 0.717 0.000 0.237 132 R C 2.318 178.747 176.300 0.216 0.000 1.137 132 R CA 1.514 57.706 56.100 0.153 0.000 0.951 132 R CB -0.538 29.821 30.300 0.098 0.000 0.851 132 R HN 0.416 nan 8.270 nan 0.000 0.434 133 L N 0.177 121.537 121.223 0.228 0.000 2.083 133 L HA -0.171 4.599 4.340 0.717 0.000 0.209 133 L C 2.582 179.687 176.870 0.391 0.000 1.083 133 L CA 1.346 56.376 54.840 0.317 0.000 0.752 133 L CB -0.323 41.910 42.059 0.290 0.000 0.899 133 L HN 0.269 nan 8.230 nan 0.000 0.433 134 M N -1.412 118.422 119.600 0.389 0.000 2.156 134 M HA -0.107 4.803 4.480 0.717 0.000 0.264 134 M C 1.062 177.372 176.300 0.017 0.000 1.067 134 M CA 1.645 57.076 55.300 0.218 0.000 1.131 134 M CB -0.029 32.698 32.600 0.211 0.000 1.368 134 M HN 0.069 nan 8.290 nan 0.000 0.416 135 F N 0.106 120.091 119.950 0.058 0.000 2.713 135 F HA 0.144 5.100 4.527 0.715 0.000 0.294 135 F C 1.857 177.734 175.800 0.129 0.000 1.152 135 F CA -0.308 57.716 58.000 0.039 0.000 1.385 135 F CB -0.717 38.202 39.000 -0.136 0.000 0.981 135 F HN 0.091 nan 8.300 nan 0.000 0.514 136 S N -1.430 114.401 115.700 0.218 0.000 2.339 136 S HA 0.043 4.943 4.470 0.717 0.000 0.189 136 S C 0.469 175.117 174.600 0.080 0.000 0.966 136 S CA 0.152 58.453 58.200 0.168 0.000 0.925 136 S CB -0.237 63.056 63.200 0.154 0.000 0.890 136 S HN 0.132 nan 8.310 nan 0.000 0.539 137 D N 2.529 122.961 120.400 0.053 0.000 2.524 137 D HA 0.408 5.479 4.640 0.717 0.000 0.222 137 D C -0.839 175.452 176.300 -0.015 0.000 1.142 137 D CA 0.066 54.072 54.000 0.009 0.000 0.973 137 D CB 0.424 41.231 40.800 0.011 0.000 1.025 137 D HN 0.315 nan 8.370 nan 0.000 0.519 138 L N 1.425 122.628 121.223 -0.033 0.000 2.307 138 L HA 0.297 5.067 4.340 0.717 0.000 0.282 138 L C 0.768 177.607 176.870 -0.053 0.000 1.051 138 L CA -0.742 54.067 54.840 -0.052 0.000 0.804 138 L CB 1.482 43.501 42.059 -0.067 0.000 1.197 138 L HN -0.023 nan 8.230 nan 0.000 0.431 139 E N 3.034 123.207 120.200 -0.045 0.000 2.156 139 E HA 0.364 5.144 4.350 0.717 0.000 0.279 139 E C -2.357 174.229 176.600 -0.023 0.000 0.965 139 E CA -1.926 54.453 56.400 -0.034 0.000 0.789 139 E CB 1.483 31.165 29.700 -0.031 0.000 1.098 139 E HN 0.289 nan 8.360 nan 0.000 0.397 140 P HA 0.016 nan 4.420 nan 0.000 0.269 140 P C -0.640 176.670 177.300 0.017 0.000 1.209 140 P CA -0.134 62.973 63.100 0.012 0.000 0.776 140 P CB 0.605 32.316 31.700 0.018 0.000 0.876 141 V N -0.610 119.325 119.914 0.035 0.000 3.087 141 V HA 0.668 5.219 4.120 0.717 0.000 0.306 141 V C -2.741 173.383 176.094 0.049 0.000 1.187 141 V CA -2.849 59.469 62.300 0.030 0.000 0.999 141 V CB 1.820 33.656 31.823 0.022 0.000 1.049 141 V HN 0.347 nan 8.190 nan 0.000 0.431 142 P HA 0.160 nan 4.420 nan 0.000 0.269 142 P C -0.482 176.862 177.300 0.073 0.000 1.215 142 P CA -0.142 62.991 63.100 0.055 0.000 0.780 142 P CB 1.148 32.872 31.700 0.039 0.000 0.898 143 L N 2.978 124.253 121.223 0.086 0.000 2.334 143 L HA 0.138 4.908 4.340 0.717 0.000 0.286 143 L C 0.542 177.492 176.870 0.133 0.000 1.108 143 L CA -0.565 54.337 54.840 0.104 0.000 0.875 143 L CB 0.052 42.160 42.059 0.082 0.000 1.246 143 L HN 0.246 nan 8.230 nan 0.000 0.439 144 K N 5.651 126.136 120.400 0.142 0.000 2.295 144 K HA 0.448 5.198 4.320 0.717 0.000 0.270 144 K C -0.467 176.237 176.600 0.174 0.000 1.011 144 K CA -0.145 56.241 56.287 0.165 0.000 0.953 144 K CB 1.685 34.307 32.500 0.203 0.000 0.956 144 K HN 0.562 nan 8.250 nan 0.000 0.477 145 I N 1.660 122.326 120.570 0.160 0.000 2.582 145 I HA 0.238 4.838 4.170 0.717 0.000 0.292 145 I C 0.021 176.171 176.117 0.054 0.000 1.066 145 I CA -1.269 60.102 61.300 0.120 0.000 1.053 145 I CB 2.102 40.173 38.000 0.119 0.000 1.241 145 I HN 0.325 nan 8.210 nan 0.000 0.421 146 R N 5.055 125.559 120.500 0.007 0.000 2.537 146 R HA 0.184 4.954 4.340 0.717 0.000 0.280 146 R C -0.595 175.677 176.300 -0.046 0.000 1.058 146 R CA 0.137 56.221 56.100 -0.026 0.000 1.057 146 R CB 0.409 30.688 30.300 -0.035 0.000 0.973 146 R HN 0.417 nan 8.270 nan 0.000 0.438 147 K N 2.567 122.946 120.400 -0.035 0.000 2.350 147 K HA 0.260 5.010 4.320 0.717 0.000 0.279 147 K C 0.616 177.179 176.600 -0.062 0.000 1.027 147 K CA 0.743 57.009 56.287 -0.035 0.000 0.969 147 K CB 0.815 33.312 32.500 -0.005 0.000 0.954 147 K HN 0.881 nan 8.250 nan 0.000 0.474 148 G N 1.691 110.449 108.800 -0.070 0.000 2.153 148 G HA2 -0.300 4.090 3.960 0.717 0.000 0.252 148 G HA3 -0.300 4.090 3.960 0.717 0.000 0.252 148 G C 0.049 174.897 174.900 -0.088 0.000 0.994 148 G CA 0.572 45.627 45.100 -0.074 0.000 0.698 148 G HN 0.657 nan 8.290 nan 0.000 0.521 149 S N -0.821 114.811 115.700 -0.112 0.000 2.610 149 S HA 0.730 5.630 4.470 0.717 0.000 0.273 149 S C 0.352 174.859 174.600 -0.154 0.000 1.274 149 S CA 0.397 58.523 58.200 -0.124 0.000 1.023 149 S CB 2.088 65.199 63.200 -0.148 0.000 0.962 149 S HN 1.325 nan 8.310 nan 0.000 0.523 150 S N 0.684 116.310 115.700 -0.123 0.000 2.562 150 S HA 0.337 5.237 4.470 0.717 0.000 0.275 150 S C 1.405 175.859 174.600 -0.243 0.000 1.281 150 S CA -0.116 58.005 58.200 -0.132 0.000 1.045 150 S CB 0.541 63.718 63.200 -0.038 0.000 0.962 150 S HN 0.972 nan 8.310 nan 0.000 0.503 151 T N 1.609 116.000 114.554 -0.271 0.000 3.085 151 T HA 0.105 4.885 4.350 0.717 0.000 0.263 151 T C 1.226 175.730 174.700 -0.328 0.000 1.127 151 T CA 0.493 62.426 62.100 -0.278 0.000 1.103 151 T CB -1.432 67.372 68.868 -0.107 0.000 0.921 151 T HN 0.838 nan 8.240 nan 0.000 0.510 152 C N 0.136 119.065 119.300 -0.618 0.000 0.168 152 C HA -0.213 4.677 4.460 0.717 0.000 0.017 152 C C 1.006 175.126 174.990 -1.450 0.000 0.171 152 C CA -1.159 57.066 59.018 -1.322 0.000 0.499 152 C CB -1.662 25.727 27.740 -0.585 0.000 3.212 152 C HN 0.753 nan 8.230 nan 0.000 1.118 153 I N 3.592 123.476 120.570 -1.144 0.000 2.906 153 I HA -0.014 4.586 4.170 0.717 0.000 0.301 153 I C -0.713 175.156 176.117 -0.413 0.000 1.221 153 I CA 0.314 61.266 61.300 -0.581 0.000 1.435 153 I CB 0.329 38.127 38.000 -0.336 0.000 1.345 153 I HN 0.602 nan 8.210 nan 0.000 0.558 154 P HA -0.013 nan 4.420 nan 0.000 0.252 154 P C 0.971 178.159 177.300 -0.187 0.000 1.211 154 P CA 0.747 63.628 63.100 -0.365 0.000 0.824 154 P CB 0.308 31.745 31.700 -0.439 0.000 1.077 155 Y N -0.646 119.645 120.300 -0.015 0.000 2.286 155 Y HA 0.178 5.158 4.550 0.717 0.000 0.293 155 Y C 0.985 176.995 175.900 0.183 0.000 1.124 155 Y CA -0.030 58.112 58.100 0.070 0.000 1.178 155 Y CB -1.336 37.126 38.460 0.002 0.000 1.010 155 Y HN -0.256 nan 8.280 nan 0.000 0.536 156 F N 0.083 120.077 119.950 0.075 0.000 3.071 156 F HA -0.249 4.708 4.527 0.717 0.000 0.295 156 F C 0.742 176.543 175.800 0.002 0.000 0.919 156 F CA 0.440 58.433 58.000 -0.011 0.000 1.050 156 F CB -1.663 37.308 39.000 -0.049 0.000 1.040 156 F HN -0.002 nan 8.300 nan 0.000 0.692 157 S N -0.245 115.510 115.700 0.092 0.000 2.646 157 S HA 0.607 5.507 4.470 0.717 0.000 0.276 157 S C 0.916 175.499 174.600 -0.029 0.000 1.222 157 S CA 0.048 58.270 58.200 0.038 0.000 1.014 157 S CB 1.208 64.419 63.200 0.019 0.000 0.991 157 S HN 0.341 nan 8.310 nan 0.000 0.533 158 N N 0.729 119.407 118.700 -0.036 0.000 2.145 158 N HA 0.176 5.346 4.740 0.717 0.000 0.219 158 N C -1.276 174.193 175.510 -0.069 0.000 1.266 158 N CA -0.260 52.753 53.050 -0.062 0.000 0.902 158 N CB 0.306 38.769 38.487 -0.040 0.000 1.078 158 N HN 0.624 nan 8.380 nan 0.000 0.513 159 D N 0.917 121.282 120.400 -0.059 0.000 2.382 159 D HA -0.035 5.035 4.640 0.717 0.000 0.259 159 D C 1.209 177.459 176.300 -0.083 0.000 1.224 159 D CA -0.070 53.892 54.000 -0.063 0.000 0.894 159 D CB 0.705 41.472 40.800 -0.056 0.000 1.127 159 D HN -0.065 nan 8.370 nan 0.000 0.487 160 M N 4.199 123.742 119.600 -0.096 0.000 2.202 160 M HA -0.008 4.902 4.480 0.717 0.000 0.262 160 M C 1.801 178.019 176.300 -0.137 0.000 1.063 160 M CA 2.031 57.252 55.300 -0.131 0.000 1.097 160 M CB -0.744 31.751 32.600 -0.176 0.000 1.382 160 M HN 0.478 nan 8.290 nan 0.000 0.413 161 G N -1.363 107.368 108.800 -0.117 0.000 2.459 161 G HA2 -0.230 4.160 3.960 0.717 0.000 0.217 161 G HA3 -0.230 4.160 3.960 0.717 0.000 0.217 161 G C 1.421 176.282 174.900 -0.065 0.000 1.183 161 G CA 1.506 46.549 45.100 -0.096 0.000 0.776 161 G HN 0.501 nan 8.290 nan 0.000 0.552 162 T N 1.032 115.550 114.554 -0.060 0.000 2.746 162 T HA -0.052 4.728 4.350 0.717 0.000 0.267 162 T C 2.327 177.025 174.700 -0.004 0.000 1.039 162 T CA 1.360 63.431 62.100 -0.047 0.000 1.142 162 T CB -0.135 68.694 68.868 -0.065 0.000 0.866 162 T HN 0.273 nan 8.240 nan 0.000 0.444 163 K N 0.876 121.267 120.400 -0.016 0.000 2.009 163 K HA -0.073 4.677 4.320 0.717 0.000 0.210 163 K C 2.258 178.948 176.600 0.150 0.000 1.049 163 K CA 1.139 57.448 56.287 0.037 0.000 0.929 163 K CB -0.469 31.964 32.500 -0.111 0.000 0.714 163 K HN 0.279 nan 8.250 nan 0.000 0.440 164 I N 1.981 122.586 120.570 0.059 0.000 2.151 164 I HA -0.261 4.339 4.170 0.717 0.000 0.243 164 I C 2.208 178.364 176.117 0.065 0.000 1.080 164 I CA 1.632 62.973 61.300 0.069 0.000 1.339 164 I CB -1.233 36.768 38.000 0.002 0.000 1.039 164 I HN 0.280 nan 8.210 nan 0.000 0.409 165 E N 0.913 121.133 120.200 0.034 0.000 2.038 165 E HA -0.219 4.561 4.350 0.717 0.000 0.195 165 E C 2.388 179.013 176.600 0.041 0.000 1.000 165 E CA 1.283 57.696 56.400 0.021 0.000 0.803 165 E CB -0.191 29.506 29.700 -0.006 0.000 0.750 165 E HN 0.410 nan 8.360 nan 0.000 0.448 166 I N 1.139 121.757 120.570 0.081 0.000 2.113 166 I HA -0.375 4.225 4.170 0.717 0.000 0.242 166 I C 2.543 178.683 176.117 0.039 0.000 1.064 166 I CA 1.339 62.709 61.300 0.116 0.000 1.320 166 I CB -0.347 37.807 38.000 0.257 0.000 1.028 166 I HN 0.144 nan 8.210 nan 0.000 0.406 167 A N 0.251 123.107 122.820 0.060 0.000 1.845 167 A HA -0.248 4.502 4.320 0.717 0.000 0.215 167 A C 2.184 179.710 177.584 -0.096 0.000 1.195 167 A CA 1.854 53.829 52.037 -0.103 0.000 0.616 167 A CB -0.775 18.236 19.000 0.017 0.000 0.832 167 A HN 0.461 nan 8.150 nan 0.000 0.443 168 E N -0.955 119.229 120.200 -0.026 0.000 2.097 168 E HA -0.290 4.490 4.350 0.717 0.000 0.196 168 E C 2.282 178.860 176.600 -0.036 0.000 1.000 168 E CA 1.548 57.931 56.400 -0.027 0.000 0.804 168 E CB -0.191 29.512 29.700 0.007 0.000 0.740 168 E HN 0.482 nan 8.360 nan 0.000 0.454 169 R N 1.208 121.695 120.500 -0.021 0.000 2.083 169 R HA -0.143 4.627 4.340 0.717 0.000 0.237 169 R C 2.084 178.361 176.300 -0.038 0.000 1.137 169 R CA 1.834 57.928 56.100 -0.009 0.000 0.951 169 R CB -0.835 29.476 30.300 0.018 0.000 0.851 169 R HN 0.155 nan 8.270 nan 0.000 0.434 170 A N 0.901 123.675 122.820 -0.077 0.000 1.859 170 A HA -0.171 4.579 4.320 0.717 0.000 0.217 170 A C 2.311 179.805 177.584 -0.150 0.000 1.198 170 A CA 1.894 53.858 52.037 -0.122 0.000 0.629 170 A CB -0.966 17.911 19.000 -0.205 0.000 0.830 170 A HN 0.386 nan 8.150 nan 0.000 0.446 171 L N -1.033 120.047 121.223 -0.239 0.000 2.189 171 L HA -0.242 4.528 4.340 0.717 0.000 0.214 171 L C 2.521 179.401 176.870 0.016 0.000 1.097 171 L CA 1.803 56.449 54.840 -0.324 0.000 0.764 171 L CB -0.647 41.182 42.059 -0.384 0.000 0.900 171 L HN 0.549 nan 8.230 nan 0.000 0.436 172 E N -0.352 119.839 120.200 -0.014 0.000 2.122 172 E HA -0.089 4.691 4.350 0.717 0.000 0.190 172 E C 1.580 178.144 176.600 -0.060 0.000 0.977 172 E CA 0.569 56.971 56.400 0.004 0.000 0.820 172 E CB 0.332 30.030 29.700 -0.004 0.000 0.770 172 E HN 0.223 nan 8.360 nan 0.000 0.462 173 K N -0.178 120.154 120.400 -0.115 0.000 2.373 173 K HA 0.261 5.011 4.320 0.717 0.000 0.202 173 K C 1.402 177.788 176.600 -0.358 0.000 1.025 173 K CA 0.225 56.343 56.287 -0.281 0.000 1.115 173 K CB 1.108 33.402 32.500 -0.343 0.000 0.858 173 K HN 0.005 nan 8.250 nan 0.000 0.525 174 A N 1.879 124.613 122.820 -0.143 0.000 1.892 174 A HA -0.252 4.498 4.320 0.717 0.000 0.218 174 A C 2.198 179.711 177.584 -0.119 0.000 1.188 174 A CA 2.012 54.057 52.037 0.013 0.000 0.631 174 A CB -0.374 18.855 19.000 0.381 0.000 0.822 174 A HN 0.460 nan 8.150 nan 0.000 0.447 175 E N -0.394 119.453 120.200 -0.588 0.000 2.038 175 E HA -0.281 4.499 4.350 0.717 0.000 0.195 175 E C 2.063 178.278 176.600 -0.642 0.000 1.000 175 E CA 1.561 57.138 56.400 -1.371 0.000 0.803 175 E CB -0.247 28.467 29.700 -1.642 0.000 0.750 175 E HN 0.736 nan 8.360 nan 0.000 0.448 176 E N -0.387 119.539 120.200 -0.457 0.000 2.153 176 E HA -0.216 4.564 4.350 0.717 0.000 0.194 176 E C 1.839 178.321 176.600 -0.196 0.000 0.988 176 E CA 0.899 57.126 56.400 -0.290 0.000 0.811 176 E CB -0.107 29.437 29.700 -0.259 0.000 0.746 176 E HN 0.377 nan 8.360 nan 0.000 0.466 177 A N 0.724 123.393 122.820 -0.251 0.000 1.872 177 A HA -0.038 4.712 4.320 0.717 0.000 0.214 177 A C 2.435 180.034 177.584 0.024 0.000 1.187 177 A CA 1.519 53.509 52.037 -0.077 0.000 0.614 177 A CB -1.176 17.774 19.000 -0.083 0.000 0.826 177 A HN 0.431 nan 8.150 nan 0.000 0.442 178 G N 0.213 109.071 108.800 0.096 0.000 2.446 178 G HA2 -0.310 4.080 3.960 0.717 0.000 0.217 178 G HA3 -0.310 4.080 3.960 0.717 0.000 0.217 178 G C 1.424 176.416 174.900 0.152 0.000 1.168 178 G CA 1.138 46.370 45.100 0.218 0.000 0.771 178 G HN 0.519 nan 8.290 nan 0.000 0.551 179 N N 0.456 119.223 118.700 0.111 0.000 2.149 179 N HA -0.044 5.126 4.740 0.717 0.000 0.188 179 N C 2.284 177.792 175.510 -0.003 0.000 1.019 179 N CA 0.661 53.751 53.050 0.066 0.000 0.857 179 N CB -0.346 38.149 38.487 0.013 0.000 0.997 179 N HN 0.297 nan 8.380 nan 0.000 0.426 180 L N 0.622 121.829 121.223 -0.026 0.000 2.042 180 L HA -0.118 4.652 4.340 0.717 0.000 0.210 180 L C 2.373 179.131 176.870 -0.187 0.000 1.076 180 L CA 1.077 55.877 54.840 -0.067 0.000 0.749 180 L CB -0.224 41.823 42.059 -0.020 0.000 0.893 180 L HN 0.181 nan 8.230 nan 0.000 0.432 181 M N -1.062 118.411 119.600 -0.212 0.000 2.254 181 M HA -0.191 4.719 4.480 0.717 0.000 0.265 181 M C 2.215 178.289 176.300 -0.377 0.000 1.066 181 M CA 1.460 56.452 55.300 -0.514 0.000 1.123 181 M CB -0.223 32.262 32.600 -0.192 0.000 1.388 181 M HN 0.248 nan 8.290 nan 0.000 0.425 182 L N -0.140 121.014 121.223 -0.116 0.000 2.131 182 L HA -0.216 4.554 4.340 0.717 0.000 0.210 182 L C 1.959 178.787 176.870 -0.069 0.000 1.092 182 L CA 1.254 56.074 54.840 -0.034 0.000 0.759 182 L CB -0.550 41.535 42.059 0.042 0.000 0.903 182 L HN 0.384 nan 8.230 nan 0.000 0.435 183 Q N -0.009 119.728 119.800 -0.104 0.000 2.415 183 Q HA 0.084 4.854 4.340 0.717 0.000 0.206 183 Q C 1.287 177.207 176.000 -0.134 0.000 0.946 183 Q CA 0.478 56.230 55.803 -0.084 0.000 0.951 183 Q CB 0.202 28.901 28.738 -0.065 0.000 1.026 183 Q HN 0.567 nan 8.270 nan 0.000 0.510 184 G N 1.952 110.593 108.800 -0.265 0.000 2.203 184 G HA2 -0.323 4.067 3.960 0.717 0.000 0.263 184 G HA3 -0.323 4.067 3.960 0.717 0.000 0.263 184 G C 0.052 174.761 174.900 -0.319 0.000 1.012 184 G CA 0.276 45.186 45.100 -0.317 0.000 0.749 184 G HN 0.298 nan 8.290 nan 0.000 0.512 185 K N -0.007 120.171 120.400 -0.371 0.000 2.778 185 K HA 0.447 5.197 4.320 0.717 0.000 0.238 185 K C 1.060 177.543 176.600 -0.195 0.000 1.233 185 K CA -0.692 55.486 56.287 -0.182 0.000 1.195 185 K CB -0.157 32.282 32.500 -0.102 0.000 1.743 185 K HN 0.299 nan 8.250 nan 0.000 0.418 186 F N 0.694 120.669 119.950 0.041 0.000 2.134 186 F HA -0.229 4.728 4.527 0.717 0.000 0.299 186 F C 1.815 177.651 175.800 0.059 0.000 1.097 186 F CA 1.093 59.118 58.000 0.041 0.000 1.264 186 F CB 0.091 39.099 39.000 0.015 0.000 1.001 186 F HN 0.328 nan 8.300 nan 0.000 0.479 187 D N 0.229 120.758 120.400 0.214 0.000 2.117 187 D HA -0.161 4.909 4.640 0.717 0.000 0.197 187 D C 1.796 178.178 176.300 0.137 0.000 0.987 187 D CA 1.378 55.478 54.000 0.167 0.000 0.829 187 D CB -0.521 40.344 40.800 0.110 0.000 0.961 187 D HN 0.207 nan 8.370 nan 0.000 0.460 188 D N 0.429 120.877 120.400 0.079 0.000 2.097 188 D HA -0.101 4.969 4.640 0.717 0.000 0.195 188 D C 2.039 178.373 176.300 0.056 0.000 0.989 188 D CA 1.393 55.416 54.000 0.039 0.000 0.827 188 D CB -0.393 40.416 40.800 0.015 0.000 0.966 188 D HN 0.128 nan 8.370 nan 0.000 0.456 189 A N 0.102 122.983 122.820 0.101 0.000 1.892 189 A HA -0.256 4.494 4.320 0.717 0.000 0.218 189 A C 2.249 179.940 177.584 0.179 0.000 1.188 189 A CA 1.628 53.763 52.037 0.164 0.000 0.631 189 A CB -1.134 17.955 19.000 0.147 0.000 0.822 189 A HN 0.359 nan 8.150 nan 0.000 0.447 190 Y N 0.439 120.765 120.300 0.042 0.000 2.114 190 Y HA -0.219 4.761 4.550 0.717 0.000 0.284 190 Y C 2.547 178.414 175.900 -0.054 0.000 1.143 190 Y CA 2.218 60.312 58.100 -0.010 0.000 1.135 190 Y CB -0.731 37.713 38.460 -0.026 0.000 0.980 190 Y HN 0.458 nan 8.280 nan 0.000 0.499 191 Q N -0.218 119.508 119.800 -0.123 0.000 2.061 191 Q HA -0.189 4.581 4.340 0.717 0.000 0.204 191 Q C 2.291 178.119 176.000 -0.287 0.000 0.984 191 Q CA 2.112 57.765 55.803 -0.250 0.000 0.846 191 Q CB -0.252 28.430 28.738 -0.092 0.000 0.902 191 Q HN 0.499 nan 8.270 nan 0.000 0.421 192 L N -0.769 120.279 121.223 -0.292 0.000 2.240 192 L HA -0.090 4.680 4.340 0.717 0.000 0.211 192 L C 1.242 177.628 176.870 -0.807 0.000 1.106 192 L CA 0.808 55.312 54.840 -0.560 0.000 0.793 192 L CB -0.075 41.548 42.059 -0.726 0.000 0.927 192 L HN 0.397 nan 8.230 nan 0.000 0.446 193 H N -1.255 117.759 119.070 -0.093 0.000 3.367 193 H HA 0.170 5.156 4.556 0.717 0.000 0.257 193 H C 0.061 175.325 175.328 -0.106 0.000 1.201 193 H CA -0.131 55.871 56.048 -0.075 0.000 1.102 193 H CB 0.780 30.518 29.762 -0.040 0.000 1.656 193 H HN 0.088 nan 8.280 nan 0.000 0.662 194 Q N 0.231 119.932 119.800 -0.166 0.000 2.480 194 Q HA -0.184 4.586 4.340 0.717 0.000 0.265 194 Q C -0.229 175.788 176.000 0.028 0.000 1.072 194 Q CA 0.797 56.444 55.803 -0.261 0.000 1.018 194 Q CB -1.899 26.671 28.738 -0.280 0.000 1.433 194 Q HN 0.494 nan 8.270 nan 0.000 0.513 195 M N -0.008 119.669 119.600 0.128 0.000 2.152 195 M HA 0.535 5.445 4.480 0.717 0.000 0.354 195 M C 0.863 177.273 176.300 0.184 0.000 1.173 195 M CA 0.350 55.721 55.300 0.118 0.000 1.110 195 M CB 0.925 33.581 32.600 0.094 0.000 1.366 195 M HN 0.422 nan 8.290 nan 0.000 0.415 196 G N 0.758 109.627 108.800 0.116 0.000 2.366 196 G HA2 0.371 4.761 3.960 0.717 0.000 0.190 196 G HA3 0.371 4.761 3.960 0.717 0.000 0.190 196 G C -0.037 174.694 174.900 -0.281 0.000 1.299 196 G CA 0.045 45.129 45.100 -0.027 0.000 1.056 196 G HN 0.944 nan 8.290 nan 0.000 0.468 197 G N -0.176 108.249 108.800 -0.624 0.000 2.950 197 G HA2 0.389 4.779 3.960 0.717 0.000 0.299 197 G HA3 0.389 4.779 3.960 0.717 0.000 0.299 197 G C 0.843 175.491 174.900 -0.420 0.000 1.310 197 G CA 2.506 47.110 45.100 -0.826 0.000 0.994 197 G HN 2.911 nan 8.290 nan 0.000 0.575 198 A N -2.373 120.249 122.820 -0.330 0.000 2.566 198 A HA 0.687 5.437 4.320 0.717 0.000 0.290 198 A C -1.327 176.144 177.584 -0.188 0.000 1.071 198 A CA -0.160 51.772 52.037 -0.175 0.000 0.658 198 A CB 0.260 19.236 19.000 -0.040 0.000 1.285 198 A HN 1.459 nan 8.150 nan 0.000 0.427 199 Y N -0.425 119.877 120.300 0.003 0.000 2.320 199 Y HA 0.500 5.481 4.550 0.717 0.000 0.324 199 Y C -0.277 175.708 175.900 0.140 0.000 1.190 199 Y CA 0.591 58.712 58.100 0.034 0.000 1.215 199 Y CB 1.302 39.754 38.460 -0.012 0.000 1.221 199 Y HN 0.636 nan 8.280 nan 0.000 0.486 200 Y N 2.538 122.950 120.300 0.186 0.000 2.353 200 Y HA 0.481 5.461 4.550 0.717 0.000 0.340 200 Y C -0.711 175.262 175.900 0.121 0.000 0.972 200 Y CA -1.166 57.075 58.100 0.236 0.000 1.157 200 Y CB 0.590 39.237 38.460 0.312 0.000 1.157 200 Y HN 0.341 nan 8.280 nan 0.000 0.495 201 V N 8.198 127.888 119.914 -0.373 0.000 2.450 201 V HA 0.169 4.719 4.120 0.717 0.000 0.281 201 V C -0.015 175.696 176.094 -0.639 0.000 1.019 201 V CA -0.055 61.946 62.300 -0.498 0.000 1.062 201 V CB -0.006 31.438 31.823 -0.632 0.000 0.979 201 V HN 0.623 nan 8.190 nan 0.000 0.477 202 V N 3.848 123.526 119.914 -0.394 0.000 2.581 202 V HA 0.598 5.148 4.120 0.717 0.000 0.303 202 V C -1.002 174.887 176.094 -0.342 0.000 1.041 202 V CA -0.867 61.281 62.300 -0.254 0.000 0.907 202 V CB 1.716 33.558 31.823 0.032 0.000 0.994 202 V HN 0.575 nan 8.190 nan 0.000 0.442 203 Y N 3.797 124.065 120.300 -0.053 0.000 2.841 203 Y HA 0.523 5.502 4.550 0.716 0.000 0.329 203 Y C 0.842 176.691 175.900 -0.084 0.000 1.062 203 Y CA -0.614 57.439 58.100 -0.078 0.000 1.281 203 Y CB 0.497 38.899 38.460 -0.097 0.000 1.147 203 Y HN 0.834 nan 8.280 nan 0.000 0.521 204 R N 1.776 122.320 120.500 0.073 0.000 2.590 204 R HA 0.575 5.345 4.340 0.717 0.000 0.274 204 R C -0.267 175.979 176.300 -0.089 0.000 1.061 204 R CA -0.188 55.890 56.100 -0.036 0.000 1.081 204 R CB 0.538 30.828 30.300 -0.016 0.000 0.984 204 R HN 0.599 nan 8.270 nan 0.000 0.448 205 A N 3.382 126.079 122.820 -0.205 0.000 2.316 205 A HA 0.189 4.939 4.320 0.717 0.000 0.284 205 A C -0.485 177.004 177.584 -0.159 0.000 1.115 205 A CA -0.515 51.414 52.037 -0.180 0.000 0.812 205 A CB 1.201 20.070 19.000 -0.219 0.000 1.064 205 A HN 0.743 nan 8.150 nan 0.000 0.489 206 Q N 1.732 121.451 119.800 -0.134 0.000 2.788 206 Q HA 0.139 4.909 4.340 0.717 0.000 0.285 206 Q C 1.033 176.940 176.000 -0.155 0.000 1.063 206 Q CA 0.245 55.974 55.803 -0.123 0.000 0.958 206 Q CB 0.820 29.492 28.738 -0.110 0.000 1.211 206 Q HN 1.030 nan 8.270 nan 0.000 0.478 207 S N -0.335 115.291 115.700 -0.123 0.000 2.512 207 S HA -0.108 4.792 4.470 0.717 0.000 0.253 207 S C 0.715 175.245 174.600 -0.116 0.000 0.984 207 S CA 1.107 59.248 58.200 -0.098 0.000 0.962 207 S CB -0.431 62.765 63.200 -0.007 0.000 0.747 207 S HN 0.469 nan 8.310 nan 0.000 0.525 208 T N -1.490 112.988 114.554 -0.127 0.000 3.170 208 T HA 0.653 5.433 4.350 0.717 0.000 0.315 208 T C -1.475 173.201 174.700 -0.039 0.000 0.967 208 T CA -0.879 61.210 62.100 -0.020 0.000 1.024 208 T CB 1.886 70.812 68.868 0.096 0.000 1.018 208 T HN 0.064 nan 8.240 nan 0.000 0.449 209 D N 1.399 121.811 120.400 0.021 0.000 2.566 209 D HA 0.700 5.770 4.640 0.717 0.000 0.254 209 D C -0.144 176.240 176.300 0.140 0.000 1.090 209 D CA -0.605 53.418 54.000 0.039 0.000 1.034 209 D CB 2.136 42.909 40.800 -0.045 0.000 1.434 209 D HN 0.879 nan 8.370 nan 0.000 0.509 210 A N 0.930 123.783 122.820 0.056 0.000 2.546 210 A HA 0.435 5.186 4.320 0.717 0.000 0.243 210 A C -0.095 177.497 177.584 0.012 0.000 1.063 210 A CA 0.556 52.617 52.037 0.040 0.000 0.757 210 A CB -0.308 18.698 19.000 0.010 0.000 0.991 210 A HN 0.453 nan 8.150 nan 0.000 0.503 211 I N 1.841 122.441 120.570 0.050 0.000 2.692 211 I HA 0.427 5.027 4.170 0.717 0.000 0.293 211 I C 0.011 176.275 176.117 0.246 0.000 1.200 211 I CA -0.350 60.958 61.300 0.014 0.000 1.036 211 I CB 2.893 40.861 38.000 -0.053 0.000 1.258 211 I HN 0.821 nan 8.210 nan 0.000 0.421 212 T N 2.877 117.566 114.554 0.225 0.000 2.906 212 T HA 0.685 5.465 4.350 0.717 0.000 0.295 212 T C -1.149 173.694 174.700 0.237 0.000 1.075 212 T CA -0.788 61.501 62.100 0.316 0.000 1.005 212 T CB 2.254 71.217 68.868 0.157 0.000 1.136 212 T HN 0.287 nan 8.240 nan 0.000 0.498 213 L N 2.229 123.552 121.223 0.166 0.000 2.294 213 L HA 0.465 5.235 4.340 0.717 0.000 0.283 213 L C -0.438 176.365 176.870 -0.113 0.000 1.015 213 L CA -0.435 54.275 54.840 -0.217 0.000 0.831 213 L CB 0.870 42.732 42.059 -0.328 0.000 1.217 213 L HN 0.821 nan 8.230 nan 0.000 0.420 214 D N 7.425 127.739 120.400 -0.144 0.000 2.346 214 D HA 0.118 5.188 4.640 0.717 0.000 0.260 214 D C -1.639 174.605 176.300 -0.093 0.000 1.252 214 D CA -1.416 52.537 54.000 -0.079 0.000 0.895 214 D CB 1.714 42.477 40.800 -0.062 0.000 1.097 214 D HN 0.432 nan 8.370 nan 0.000 0.489 215 P HA -0.184 nan 4.420 nan 0.000 0.218 215 P C 1.038 178.311 177.300 -0.046 0.000 1.148 215 P CA 0.929 64.002 63.100 -0.045 0.000 0.822 215 P CB 0.543 32.233 31.700 -0.017 0.000 0.784 216 K N 0.031 120.409 120.400 -0.038 0.000 1.984 216 K HA -0.077 4.673 4.320 0.717 0.000 0.209 216 K C 2.321 178.897 176.600 -0.040 0.000 1.046 216 K CA 2.301 58.570 56.287 -0.031 0.000 0.934 216 K CB -1.635 30.852 32.500 -0.021 0.000 0.717 216 K HN 0.325 nan 8.250 nan 0.000 0.438 217 T N -2.544 111.980 114.554 -0.050 0.000 3.014 217 T HA 0.093 4.873 4.350 0.717 0.000 0.263 217 T C 1.504 176.155 174.700 -0.082 0.000 1.078 217 T CA 1.100 63.167 62.100 -0.054 0.000 1.135 217 T CB -0.111 68.731 68.868 -0.044 0.000 0.895 217 T HN 0.418 nan 8.240 nan 0.000 0.480 218 G N 1.424 110.148 108.800 -0.126 0.000 2.155 218 G HA2 -0.215 4.175 3.960 0.717 0.000 0.257 218 G HA3 -0.215 4.175 3.960 0.717 0.000 0.257 218 G C 0.007 174.752 174.900 -0.258 0.000 0.983 218 G CA 0.246 45.236 45.100 -0.182 0.000 0.676 218 G HN 0.619 nan 8.290 nan 0.000 0.528 219 K N -0.578 119.689 120.400 -0.221 0.000 2.118 219 K HA 0.697 5.447 4.320 0.717 0.000 0.254 219 K C -0.088 176.359 176.600 -0.254 0.000 0.961 219 K CA -0.832 55.353 56.287 -0.169 0.000 0.876 219 K CB 0.961 33.439 32.500 -0.037 0.000 1.077 219 K HN 0.030 nan 8.250 nan 0.000 0.440 220 F N 0.262 120.221 119.950 0.015 0.000 2.377 220 F HA 0.325 5.282 4.527 0.716 0.000 0.328 220 F C 0.352 176.233 175.800 0.135 0.000 1.094 220 F CA -0.547 57.481 58.000 0.047 0.000 1.093 220 F CB 1.193 40.249 39.000 0.093 0.000 1.214 220 F HN -0.041 nan 8.300 nan 0.000 0.518 221 V N 1.732 121.783 119.914 0.228 0.000 2.524 221 V HA 0.300 4.850 4.120 0.717 0.000 0.297 221 V C -0.819 175.126 176.094 -0.249 0.000 1.035 221 V CA -1.048 61.264 62.300 0.020 0.000 0.867 221 V CB 1.722 33.557 31.823 0.022 0.000 1.004 221 V HN 0.786 nan 8.190 nan 0.000 0.426 222 S N 3.619 118.975 115.700 -0.574 0.000 2.513 222 S HA 0.488 5.388 4.470 0.717 0.000 0.276 222 S C -0.214 174.235 174.600 -0.252 0.000 1.254 222 S CA -0.714 57.093 58.200 -0.655 0.000 1.053 222 S CB 1.019 63.586 63.200 -1.054 0.000 0.958 222 S HN 0.759 nan 8.310 nan 0.000 0.491 223 K N 1.882 122.190 120.400 -0.154 0.000 2.511 223 K HA -0.030 4.720 4.320 0.717 0.000 0.280 223 K C -0.782 175.780 176.600 -0.062 0.000 1.008 223 K CA 0.080 56.322 56.287 -0.075 0.000 1.050 223 K CB 0.046 32.519 32.500 -0.045 0.000 0.889 223 K HN 0.577 nan 8.250 nan 0.000 0.484 224 D N 3.454 123.830 120.400 -0.041 0.000 2.389 224 D HA 0.121 5.191 4.640 0.717 0.000 0.247 224 D C -0.302 175.973 176.300 -0.041 0.000 1.128 224 D CA 0.263 54.244 54.000 -0.031 0.000 0.884 224 D CB 0.718 41.511 40.800 -0.012 0.000 1.194 224 D HN 0.340 nan 8.370 nan 0.000 0.441 225 R N 2.759 123.225 120.500 -0.058 0.000 2.388 225 R HA 0.284 5.054 4.340 0.717 0.000 0.314 225 R C -0.198 176.022 176.300 -0.133 0.000 0.959 225 R CA -0.834 55.216 56.100 -0.083 0.000 0.851 225 R CB 1.135 31.384 30.300 -0.084 0.000 1.168 225 R HN 0.349 nan 8.270 nan 0.000 0.472 226 M N 2.913 122.433 119.600 -0.133 0.000 2.245 226 M HA 0.190 5.100 4.480 0.717 0.000 0.344 226 M C 0.448 176.575 176.300 -0.288 0.000 1.170 226 M CA -0.199 54.983 55.300 -0.198 0.000 1.135 226 M CB 0.579 33.099 32.600 -0.133 0.000 1.574 226 M HN 0.377 nan 8.290 nan 0.000 0.452 227 V N -0.255 119.379 119.914 -0.467 0.000 2.971 227 V HA 0.953 5.503 4.120 0.717 0.000 0.309 227 V C -0.606 175.189 176.094 -0.499 0.000 1.130 227 V CA -1.355 60.666 62.300 -0.465 0.000 0.964 227 V CB 1.423 32.944 31.823 -0.503 0.000 1.029 227 V HN 0.961 nan 8.190 nan 0.000 0.427 228 A N 2.588 125.226 122.820 -0.302 0.000 2.309 228 A HA 0.786 5.536 4.320 0.717 0.000 0.298 228 A C -0.101 177.569 177.584 0.144 0.000 1.165 228 A CA -0.225 51.676 52.037 -0.227 0.000 0.821 228 A CB 0.469 19.240 19.000 -0.381 0.000 1.102 228 A HN 1.199 nan 8.150 nan 0.000 0.500 229 D N 0.794 121.366 120.400 0.286 0.000 2.411 229 D HA 0.133 5.203 4.640 0.717 0.000 0.251 229 D C 0.767 177.029 176.300 -0.064 0.000 1.201 229 D CA -0.692 53.458 54.000 0.249 0.000 0.996 229 D CB 0.073 41.030 40.800 0.261 0.000 1.101 229 D HN 0.368 nan 8.370 nan 0.000 0.504 230 F N 0.222 119.757 119.950 -0.691 0.000 2.120 230 F HA -0.226 4.731 4.527 0.717 0.000 0.300 230 F C 2.025 177.614 175.800 -0.352 0.000 1.095 230 F CA 1.688 59.129 58.000 -0.931 0.000 1.249 230 F CB 0.069 38.306 39.000 -1.272 0.000 0.995 230 F HN 0.209 nan 8.300 nan 0.000 0.480 231 E N -0.110 119.961 120.200 -0.214 0.000 2.038 231 E HA -0.293 4.487 4.350 0.717 0.000 0.195 231 E C 2.119 178.612 176.600 -0.179 0.000 1.000 231 E CA 1.821 58.093 56.400 -0.213 0.000 0.803 231 E CB -1.199 28.479 29.700 -0.037 0.000 0.750 231 E HN 0.666 nan 8.360 nan 0.000 0.448 232 Y N 1.032 121.239 120.300 -0.155 0.000 2.081 232 Y HA -0.341 4.638 4.550 0.716 0.000 0.280 232 Y C 2.324 178.142 175.900 -0.137 0.000 1.163 232 Y CA 2.082 60.125 58.100 -0.095 0.000 1.135 232 Y CB -0.229 38.227 38.460 -0.006 0.000 0.970 232 Y HN 0.090 nan 8.280 nan 0.000 0.498 233 A N -0.263 122.640 122.820 0.137 0.000 1.892 233 A HA -0.262 4.488 4.320 0.717 0.000 0.218 233 A C 2.169 179.688 177.584 -0.109 0.000 1.188 233 A CA 2.663 54.729 52.037 0.047 0.000 0.631 233 A CB -1.608 17.438 19.000 0.077 0.000 0.822 233 A HN 0.588 nan 8.150 nan 0.000 0.447 234 V N -2.442 117.256 119.914 -0.360 0.000 3.217 234 V HA 0.004 4.554 4.120 0.717 0.000 0.264 234 V C 1.668 177.633 176.094 -0.215 0.000 1.135 234 V CA 1.908 64.001 62.300 -0.345 0.000 1.142 234 V CB -1.228 30.229 31.823 -0.611 0.000 0.754 234 V HN 0.706 nan 8.190 nan 0.000 0.484 235 T N -3.525 110.913 114.554 -0.193 0.000 3.174 235 T HA 0.460 5.240 4.350 0.717 0.000 0.269 235 T C 1.540 176.153 174.700 -0.144 0.000 1.017 235 T CA 0.501 62.504 62.100 -0.161 0.000 0.899 235 T CB 0.063 68.821 68.868 -0.182 0.000 1.077 235 T HN 1.408 nan 8.240 nan 0.000 0.552 236 G N 0.792 109.537 108.800 -0.092 0.000 2.212 236 G HA2 0.019 4.409 3.960 0.717 0.000 0.267 236 G HA3 0.019 4.409 3.960 0.717 0.000 0.267 236 G C 1.119 175.942 174.900 -0.130 0.000 1.002 236 G CA 0.620 45.689 45.100 -0.051 0.000 0.729 236 G HN 1.862 nan 8.290 nan 0.000 0.517 237 G N -1.730 106.827 108.800 -0.404 0.000 2.231 237 G HA2 -0.240 4.150 3.960 0.717 0.000 0.206 237 G HA3 -0.240 4.150 3.960 0.717 0.000 0.206 237 G C 0.967 175.472 174.900 -0.660 0.000 0.996 237 G CA 0.999 45.511 45.100 -0.980 0.000 0.645 237 G HN 0.585 nan 8.290 nan 0.000 0.498 238 E N 0.527 120.513 120.200 -0.356 0.000 2.021 238 E HA -0.101 4.679 4.350 0.717 0.000 0.200 238 E C 1.691 178.152 176.600 -0.232 0.000 1.015 238 E CA 1.534 57.797 56.400 -0.228 0.000 0.824 238 E CB -0.057 29.552 29.700 -0.152 0.000 0.762 238 E HN 0.674 nan 8.360 nan 0.000 0.454 239 Q N -1.455 118.209 119.800 -0.227 0.000 2.665 239 Q HA 0.461 5.231 4.340 0.717 0.000 0.176 239 Q C 0.376 176.272 176.000 -0.172 0.000 1.025 239 Q CA 0.305 56.010 55.803 -0.163 0.000 0.953 239 Q CB 0.972 29.644 28.738 -0.110 0.000 2.143 239 Q HN 0.321 nan 8.270 nan 0.000 0.464 240 G N 0.103 108.866 108.800 -0.062 0.000 2.641 240 G HA2 -0.147 4.244 3.960 0.717 0.000 0.254 240 G HA3 -0.147 4.244 3.960 0.717 0.000 0.254 240 G C -0.753 174.237 174.900 0.150 0.000 1.315 240 G CA -0.129 44.998 45.100 0.045 0.000 0.907 240 G HN 1.233 nan 8.290 nan 0.000 0.572 241 S N -1.853 114.053 115.700 0.344 0.000 2.550 241 S HA 0.685 5.585 4.470 0.717 0.000 0.270 241 S C -1.122 173.774 174.600 0.494 0.000 1.145 241 S CA -0.663 57.784 58.200 0.411 0.000 0.852 241 S CB 2.252 65.549 63.200 0.161 0.000 1.119 241 S HN 1.602 nan 8.310 nan 0.000 0.465 242 L N 2.414 123.870 121.223 0.388 0.000 2.334 242 L HA 0.960 5.730 4.340 0.717 0.000 0.275 242 L C -0.948 176.151 176.870 0.381 0.000 1.036 242 L CA -0.366 54.556 54.840 0.136 0.000 0.807 242 L CB 1.036 43.101 42.059 0.010 0.000 1.231 242 L HN 0.901 nan 8.230 nan 0.000 0.438 243 F N 1.150 121.073 119.950 -0.045 0.000 2.769 243 F HA 0.711 5.668 4.527 0.717 0.000 0.313 243 F C -0.865 174.926 175.800 -0.016 0.000 1.146 243 F CA -1.468 56.525 58.000 -0.012 0.000 0.934 243 F CB 0.302 39.306 39.000 0.006 0.000 1.283 243 F HN 0.598 nan 8.300 nan 0.000 0.443 244 A N 1.832 124.691 122.820 0.066 0.000 2.454 244 A HA 0.692 5.442 4.320 0.717 0.000 0.260 244 A C 0.449 178.002 177.584 -0.051 0.000 1.106 244 A CA 0.085 52.101 52.037 -0.035 0.000 0.780 244 A CB -0.542 18.480 19.000 0.036 0.000 1.044 244 A HN 1.777 nan 8.150 nan 0.000 0.498 245 A N 2.707 125.425 122.820 -0.169 0.000 2.406 245 A HA 0.479 5.229 4.320 0.717 0.000 0.243 245 A C 0.884 178.478 177.584 0.018 0.000 1.082 245 A CA 0.407 52.378 52.037 -0.110 0.000 0.786 245 A CB 0.077 18.995 19.000 -0.137 0.000 1.029 245 A HN 1.297 nan 8.150 nan 0.000 0.495 246 S N -0.209 115.531 115.700 0.066 0.000 2.489 246 S HA 0.304 5.204 4.470 0.717 0.000 0.277 246 S C 0.618 175.281 174.600 0.104 0.000 1.230 246 S CA -0.461 57.794 58.200 0.092 0.000 1.053 246 S CB 0.255 63.514 63.200 0.098 0.000 0.955 246 S HN 0.597 nan 8.310 nan 0.000 0.488 247 K N 2.543 123.026 120.400 0.139 0.000 2.373 247 K HA 0.116 4.866 4.320 0.717 0.000 0.202 247 K C 0.104 176.878 176.600 0.290 0.000 1.025 247 K CA -0.202 56.211 56.287 0.209 0.000 1.115 247 K CB 0.279 32.901 32.500 0.204 0.000 0.858 247 K HN 0.671 nan 8.250 nan 0.000 0.525 248 D N 0.730 121.260 120.400 0.217 0.000 2.450 248 D HA -0.021 5.049 4.640 0.717 0.000 0.247 248 D C 0.149 176.512 176.300 0.104 0.000 1.162 248 D CA 0.149 54.251 54.000 0.170 0.000 0.879 248 D CB 1.306 42.174 40.800 0.113 0.000 1.163 248 D HN 0.187 nan 8.370 nan 0.000 0.472 249 A N 3.247 126.087 122.820 0.034 0.000 2.387 249 A HA 0.082 4.832 4.320 0.717 0.000 0.234 249 A C 2.003 179.554 177.584 -0.057 0.000 1.253 249 A CA -0.173 51.858 52.037 -0.010 0.000 0.894 249 A CB 0.190 19.169 19.000 -0.035 0.000 0.963 249 A HN 0.541 nan 8.150 nan 0.000 0.508 250 S N 1.029 116.704 115.700 -0.042 0.000 2.370 250 S HA -0.231 4.669 4.470 0.717 0.000 0.226 250 S C 2.211 176.780 174.600 -0.053 0.000 1.033 250 S CA 1.603 59.773 58.200 -0.051 0.000 1.011 250 S CB -0.376 62.805 63.200 -0.031 0.000 0.852 250 S HN 0.874 nan 8.310 nan 0.000 0.457 251 R N 1.771 122.250 120.500 -0.035 0.000 2.119 251 R HA -0.138 4.632 4.340 0.717 0.000 0.246 251 R C 1.972 178.225 176.300 -0.079 0.000 1.146 251 R CA 1.638 57.710 56.100 -0.047 0.000 0.962 251 R CB -1.188 29.105 30.300 -0.012 0.000 0.863 251 R HN 0.337 nan 8.270 nan 0.000 0.442 252 L N 0.790 121.970 121.223 -0.073 0.000 2.089 252 L HA -0.228 4.543 4.340 0.717 0.000 0.213 252 L C 2.745 179.582 176.870 -0.056 0.000 1.079 252 L CA 1.912 56.710 54.840 -0.071 0.000 0.758 252 L CB -0.640 41.252 42.059 -0.277 0.000 0.891 252 L HN 0.270 nan 8.230 nan 0.000 0.433 253 K N 0.993 121.346 120.400 -0.079 0.000 1.973 253 K HA -0.235 4.515 4.320 0.717 0.000 0.210 253 K C 2.003 178.561 176.600 -0.070 0.000 1.045 253 K CA 1.949 58.198 56.287 -0.064 0.000 0.937 253 K CB -0.422 32.039 32.500 -0.064 0.000 0.721 253 K HN 0.269 nan 8.250 nan 0.000 0.438 254 E N -0.139 120.011 120.200 -0.084 0.000 2.130 254 E HA -0.278 4.502 4.350 0.717 0.000 0.196 254 E C 1.932 178.445 176.600 -0.144 0.000 0.998 254 E CA 1.565 57.910 56.400 -0.093 0.000 0.806 254 E CB 0.016 29.667 29.700 -0.082 0.000 0.738 254 E HN 0.517 nan 8.360 nan 0.000 0.459 255 Q N -1.050 118.600 119.800 -0.250 0.000 2.036 255 Q HA -0.101 4.669 4.340 0.717 0.000 0.195 255 Q C 1.450 177.153 176.000 -0.496 0.000 0.971 255 Q CA 1.313 56.826 55.803 -0.483 0.000 0.826 255 Q CB -0.001 28.196 28.738 -0.901 0.000 0.896 255 Q HN 0.414 nan 8.270 nan 0.000 0.449 256 Y N -0.744 119.560 120.300 0.006 0.000 2.458 256 Y HA 0.335 5.315 4.550 0.717 0.000 0.256 256 Y C 1.204 177.103 175.900 -0.002 0.000 1.159 256 Y CA 0.148 58.262 58.100 0.023 0.000 1.261 256 Y CB 0.474 38.965 38.460 0.053 0.000 1.119 256 Y HN 0.250 nan 8.280 nan 0.000 0.524 257 G N 1.381 110.216 108.800 0.058 0.000 2.249 257 G HA2 -0.308 4.082 3.960 0.717 0.000 0.273 257 G HA3 -0.308 4.082 3.960 0.717 0.000 0.273 257 G C -0.034 174.882 174.900 0.027 0.000 1.036 257 G CA 0.149 45.265 45.100 0.027 0.000 0.824 257 G HN 0.376 nan 8.290 nan 0.000 0.504 258 I N 0.432 121.018 120.570 0.026 0.000 2.331 258 I HA 0.228 4.828 4.170 0.717 0.000 0.292 258 I C 0.391 176.470 176.117 -0.063 0.000 0.998 258 I CA -0.689 60.602 61.300 -0.015 0.000 1.267 258 I CB 1.249 39.223 38.000 -0.042 0.000 1.386 258 I HN 0.167 nan 8.210 nan 0.000 0.476 259 D N 6.181 126.537 120.400 -0.072 0.000 2.371 259 D HA 0.163 5.233 4.640 0.717 0.000 0.256 259 D C -0.749 175.464 176.300 -0.145 0.000 1.193 259 D CA -0.025 53.916 54.000 -0.097 0.000 0.881 259 D CB 0.905 41.649 40.800 -0.093 0.000 1.143 259 D HN 0.118 nan 8.370 nan 0.000 0.473 260 V N 7.240 127.067 119.914 -0.146 0.000 2.294 260 V HA 0.318 4.868 4.120 0.717 0.000 0.272 260 V C -1.617 174.365 176.094 -0.186 0.000 1.027 260 V CA -1.374 60.815 62.300 -0.184 0.000 0.823 260 V CB 0.691 32.426 31.823 -0.146 0.000 1.030 260 V HN 0.651 nan 8.190 nan 0.000 0.457 261 P HA 0.084 nan 4.420 nan 0.000 0.269 261 P C -0.376 176.900 177.300 -0.040 0.000 1.209 261 P CA -0.182 62.798 63.100 -0.201 0.000 0.776 261 P CB 0.827 32.308 31.700 -0.365 0.000 0.876 262 D N 0.858 121.265 120.400 0.011 0.000 2.493 262 D HA 0.261 5.331 4.640 0.717 0.000 0.240 262 D C 1.336 177.694 176.300 0.096 0.000 1.142 262 D CA 1.716 55.741 54.000 0.041 0.000 0.872 262 D CB -0.296 40.541 40.800 0.061 0.000 1.173 262 D HN 0.717 nan 8.370 nan 0.000 0.467 263 G N 2.190 110.946 108.800 -0.072 0.000 2.130 263 G HA2 -0.211 4.179 3.960 0.717 0.000 0.216 263 G HA3 -0.211 4.179 3.960 0.717 0.000 0.216 263 G C -0.207 174.194 174.900 -0.833 0.000 0.999 263 G CA -0.274 44.623 45.100 -0.339 0.000 0.686 263 G HN 0.367 nan 8.290 nan 0.000 0.515 264 F N -0.435 118.991 119.950 -0.875 0.000 2.532 264 F HA 0.855 5.812 4.527 0.717 0.000 0.321 264 F C 0.226 175.449 175.800 -0.963 0.000 1.089 264 F CA -1.231 56.356 58.000 -0.688 0.000 0.926 264 F CB 1.501 40.293 39.000 -0.347 0.000 1.168 264 F HN -0.014 nan 8.300 nan 0.000 0.459 265 F N 0.001 119.944 119.950 -0.012 0.000 2.664 265 F HA 0.607 5.565 4.527 0.717 0.000 0.329 265 F C -0.178 175.768 175.800 0.242 0.000 1.090 265 F CA -1.347 56.707 58.000 0.090 0.000 0.978 265 F CB 0.571 39.601 39.000 0.050 0.000 1.378 265 F HN 0.253 nan 8.300 nan 0.000 0.495 266 C N 0.869 120.430 119.300 0.435 0.000 2.534 266 C HA 0.293 5.183 4.460 0.717 0.000 0.385 266 C C 0.448 175.644 174.990 0.343 0.000 1.264 266 C CA -0.663 58.570 59.018 0.359 0.000 2.342 266 C CB 0.081 27.987 27.740 0.278 0.000 2.564 266 C HN 0.664 nan 8.230 nan 0.000 0.603 267 E N 0.807 121.133 120.200 0.209 0.000 2.383 267 E HA 0.151 4.931 4.350 0.717 0.000 0.264 267 E C 0.232 176.809 176.600 -0.038 0.000 1.050 267 E CA -0.065 56.332 56.400 -0.004 0.000 0.896 267 E CB 0.532 30.217 29.700 -0.024 0.000 0.982 267 E HN 0.496 nan 8.360 nan 0.000 0.424 268 R N 2.705 123.125 120.500 -0.133 0.000 2.438 268 R HA 0.149 4.919 4.340 0.717 0.000 0.287 268 R C -0.465 175.777 176.300 -0.097 0.000 1.077 268 R CA -0.202 55.838 56.100 -0.099 0.000 1.034 268 R CB 0.681 30.912 30.300 -0.116 0.000 0.993 268 R HN 0.397 nan 8.270 nan 0.000 0.459 269 R N 3.849 124.291 120.500 -0.096 0.000 2.310 269 R HA 0.212 4.982 4.340 0.717 0.000 0.324 269 R C -0.481 175.783 176.300 -0.061 0.000 0.955 269 R CA -0.761 55.280 56.100 -0.099 0.000 0.830 269 R CB 1.634 31.828 30.300 -0.178 0.000 1.154 269 R HN 0.626 nan 8.270 nan 0.000 0.458 270 R N 1.585 122.074 120.500 -0.018 0.000 2.404 270 R HA 0.210 4.980 4.340 0.717 0.000 0.291 270 R C -0.358 176.005 176.300 0.105 0.000 1.025 270 R CA -0.189 55.916 56.100 0.008 0.000 0.991 270 R CB 1.115 31.400 30.300 -0.024 0.000 1.053 270 R HN 0.616 nan 8.270 nan 0.000 0.479 271 T N 0.549 115.160 114.554 0.096 0.000 2.875 271 T HA 0.712 5.492 4.350 0.717 0.000 0.284 271 T C -0.331 174.339 174.700 -0.048 0.000 0.995 271 T CA -0.742 61.413 62.100 0.093 0.000 1.060 271 T CB 1.737 70.647 68.868 0.069 0.000 0.967 271 T HN 0.636 nan 8.240 nan 0.000 0.476 272 A N 3.943 126.692 122.820 -0.117 0.000 2.430 272 A HA 0.843 5.593 4.320 0.717 0.000 0.300 272 A C -0.387 177.125 177.584 -0.120 0.000 1.124 272 A CA -1.193 50.788 52.037 -0.094 0.000 0.766 272 A CB 1.511 20.489 19.000 -0.036 0.000 1.328 272 A HN 0.865 nan 8.150 nan 0.000 0.424 273 M N 1.469 121.024 119.600 -0.075 0.000 2.321 273 M HA 0.458 5.368 4.480 0.717 0.000 0.315 273 M C 0.108 176.506 176.300 0.164 0.000 1.052 273 M CA -0.312 54.989 55.300 0.003 0.000 0.936 273 M CB 1.461 33.961 32.600 -0.167 0.000 1.639 273 M HN 0.840 nan 8.290 nan 0.000 0.433 274 G N 1.501 110.455 108.800 0.257 0.000 2.377 274 G HA2 0.580 4.970 3.960 0.717 0.000 0.316 274 G HA3 0.580 4.970 3.960 0.717 0.000 0.316 274 G C 0.125 175.157 174.900 0.220 0.000 1.115 274 G CA -0.453 44.784 45.100 0.229 0.000 0.952 274 G HN 0.895 nan 8.290 nan 0.000 0.441 275 G N 2.806 111.717 108.800 0.184 0.000 2.503 275 G HA2 0.574 4.964 3.960 0.717 0.000 0.257 275 G HA3 0.574 4.964 3.960 0.717 0.000 0.257 275 G C -2.225 172.561 174.900 -0.190 0.000 1.214 275 G CA -1.124 43.871 45.100 -0.175 0.000 0.839 275 G HN 0.482 nan 8.290 nan 0.000 0.559 276 P HA 0.019 nan 4.420 nan 0.000 0.270 276 P C 0.379 177.640 177.300 -0.065 0.000 1.242 276 P CA -0.363 62.617 63.100 -0.199 0.000 0.768 276 P CB 0.986 32.554 31.700 -0.219 0.000 0.820 277 F N 5.054 124.903 119.950 -0.168 0.000 2.126 277 F HA -0.213 4.743 4.527 0.716 0.000 0.299 277 F C 2.358 178.120 175.800 -0.064 0.000 1.096 277 F CA 1.941 59.882 58.000 -0.098 0.000 1.255 277 F CB -1.025 37.927 39.000 -0.081 0.000 0.997 277 F HN 0.409 nan 8.300 nan 0.000 0.479 278 A N -0.271 122.468 122.820 -0.135 0.000 1.986 278 A HA -0.207 4.543 4.320 0.717 0.000 0.220 278 A C 2.115 179.585 177.584 -0.190 0.000 1.171 278 A CA 1.948 53.877 52.037 -0.180 0.000 0.640 278 A CB -1.078 17.887 19.000 -0.059 0.000 0.811 278 A HN 0.465 nan 8.150 nan 0.000 0.451 279 L N -0.140 120.994 121.223 -0.149 0.000 2.102 279 L HA 0.048 4.818 4.340 0.717 0.000 0.202 279 L C 1.695 178.486 176.870 -0.133 0.000 1.076 279 L CA 2.145 56.914 54.840 -0.118 0.000 0.761 279 L CB -0.857 41.134 42.059 -0.113 0.000 0.921 279 L HN 0.430 nan 8.230 nan 0.000 0.444 280 N N -0.383 118.232 118.700 -0.141 0.000 2.381 280 N HA -0.100 5.070 4.740 0.717 0.000 0.182 280 N C 1.823 177.259 175.510 -0.123 0.000 1.025 280 N CA 0.871 53.878 53.050 -0.072 0.000 0.888 280 N CB -0.162 38.350 38.487 0.041 0.000 0.965 280 N HN 0.500 nan 8.380 nan 0.000 0.438 281 A N 2.300 124.899 122.820 -0.368 0.000 1.851 281 A HA -0.104 4.646 4.320 0.717 0.000 0.216 281 A C -0.188 177.287 177.584 -0.181 0.000 1.195 281 A CA 1.326 53.117 52.037 -0.410 0.000 0.622 281 A CB -1.566 17.041 19.000 -0.655 0.000 0.831 281 A HN 0.196 nan 8.150 nan 0.000 0.444 282 P HA -0.133 nan 4.420 nan 0.000 0.219 282 P C 1.417 179.013 177.300 0.493 0.000 1.146 282 P CA 1.129 64.251 63.100 0.038 0.000 0.808 282 P CB -0.153 31.670 31.700 0.206 0.000 0.779 283 I N -1.190 119.561 120.570 0.303 0.000 2.277 283 I HA -0.136 4.464 4.170 0.717 0.000 0.243 283 I C 2.755 179.118 176.117 0.410 0.000 1.094 283 I CA 1.168 62.733 61.300 0.442 0.000 1.393 283 I CB -0.566 37.571 38.000 0.228 0.000 1.078 283 I HN -0.187 nan 8.210 nan 0.000 0.417 284 M N 0.515 120.255 119.600 0.234 0.000 2.149 284 M HA -0.185 4.725 4.480 0.717 0.000 0.261 284 M C 2.448 178.873 176.300 0.209 0.000 1.064 284 M CA 1.879 57.299 55.300 0.199 0.000 1.102 284 M CB -0.485 32.204 32.600 0.148 0.000 1.369 284 M HN 0.297 nan 8.290 nan 0.000 0.408 285 A N -0.509 122.442 122.820 0.219 0.000 2.076 285 A HA -0.081 4.669 4.320 0.717 0.000 0.220 285 A C 2.114 179.867 177.584 0.283 0.000 1.160 285 A CA 1.596 53.777 52.037 0.241 0.000 0.653 285 A CB -0.610 18.532 19.000 0.238 0.000 0.801 285 A HN 0.355 nan 8.150 nan 0.000 0.455 286 V N -1.493 118.624 119.914 0.338 0.000 2.922 286 V HA 0.058 4.608 4.120 0.717 0.000 0.242 286 V C 2.832 178.992 176.094 0.110 0.000 1.094 286 V CA 0.981 63.398 62.300 0.196 0.000 1.106 286 V CB -0.684 31.261 31.823 0.203 0.000 0.799 286 V HN 0.532 nan 8.190 nan 0.000 0.474 287 A N 0.148 123.088 122.820 0.200 0.000 1.892 287 A HA -0.332 4.418 4.320 0.717 0.000 0.218 287 A C 2.150 179.741 177.584 0.013 0.000 1.188 287 A CA 2.535 54.638 52.037 0.110 0.000 0.631 287 A CB -0.590 18.523 19.000 0.188 0.000 0.822 287 A HN 0.496 nan 8.150 nan 0.000 0.447 288 Q N 0.178 120.013 119.800 0.059 0.000 2.030 288 Q HA -0.097 4.673 4.340 0.717 0.000 0.204 288 Q C -0.582 175.407 176.000 -0.019 0.000 0.986 288 Q CA 2.493 58.319 55.803 0.039 0.000 0.843 288 Q CB -1.463 27.319 28.738 0.072 0.000 0.904 288 Q HN 0.450 nan 8.270 nan 0.000 0.420 289 P HA -0.144 nan 4.420 nan 0.000 0.216 289 P C 1.270 178.486 177.300 -0.139 0.000 1.150 289 P CA 1.288 64.350 63.100 -0.062 0.000 0.837 289 P CB -0.023 31.648 31.700 -0.049 0.000 0.786 290 V N -0.195 119.586 119.914 -0.222 0.000 2.343 290 V HA -0.252 4.298 4.120 0.717 0.000 0.247 290 V C 2.473 178.362 176.094 -0.340 0.000 1.051 290 V CA 1.772 63.850 62.300 -0.369 0.000 1.036 290 V CB -0.916 30.527 31.823 -0.633 0.000 0.654 290 V HN 0.088 nan 8.190 nan 0.000 0.451 291 R N 0.267 120.588 120.500 -0.298 0.000 2.083 291 R HA -0.172 4.598 4.340 0.717 0.000 0.237 291 R C 2.243 178.323 176.300 -0.367 0.000 1.137 291 R CA 1.759 57.596 56.100 -0.437 0.000 0.951 291 R CB -0.599 29.614 30.300 -0.146 0.000 0.851 291 R HN 0.554 nan 8.270 nan 0.000 0.434 292 N N 1.018 119.650 118.700 -0.114 0.000 2.104 292 N HA -0.201 4.969 4.740 0.717 0.000 0.190 292 N C 1.654 177.121 175.510 -0.072 0.000 1.024 292 N CA 1.248 54.283 53.050 -0.026 0.000 0.853 292 N CB -0.219 38.253 38.487 -0.024 0.000 1.008 292 N HN 0.272 nan 8.380 nan 0.000 0.424 293 K N 1.425 121.755 120.400 -0.117 0.000 1.985 293 K HA -0.078 4.672 4.320 0.717 0.000 0.210 293 K C 2.203 178.765 176.600 -0.064 0.000 1.047 293 K CA 1.325 57.559 56.287 -0.089 0.000 0.932 293 K CB -0.222 32.237 32.500 -0.068 0.000 0.716 293 K HN 0.281 nan 8.250 nan 0.000 0.439 294 I N -1.661 118.842 120.570 -0.111 0.000 2.361 294 I HA -0.205 4.395 4.170 0.717 0.000 0.251 294 I C 1.371 177.543 176.117 0.092 0.000 1.133 294 I CA 1.183 62.501 61.300 0.029 0.000 1.413 294 I CB -0.505 37.313 38.000 -0.302 0.000 1.073 294 I HN 0.082 nan 8.210 nan 0.000 0.424 295 Y N 2.330 122.650 120.300 0.032 0.000 2.439 295 Y HA -0.072 4.906 4.550 0.715 0.000 0.292 295 Y C 2.902 178.738 175.900 -0.106 0.000 1.130 295 Y CA 0.476 58.589 58.100 0.022 0.000 1.254 295 Y CB -0.868 37.604 38.460 0.020 0.000 1.000 295 Y HN 0.464 nan 8.280 nan 0.000 0.554 296 S N -0.240 115.474 115.700 0.022 0.000 2.291 296 S HA -0.061 4.839 4.470 0.717 0.000 0.185 296 S C 1.993 176.539 174.600 -0.091 0.000 0.996 296 S CA 0.471 58.628 58.200 -0.073 0.000 0.997 296 S CB -0.670 62.477 63.200 -0.087 0.000 0.899 296 S HN 0.212 nan 8.310 nan 0.000 0.493 297 K N 0.449 120.736 120.400 -0.188 0.000 2.127 297 K HA -0.165 4.585 4.320 0.717 0.000 0.208 297 K C 0.337 176.652 176.600 -0.476 0.000 1.047 297 K CA 1.591 57.637 56.287 -0.401 0.000 0.927 297 K CB -0.279 31.823 32.500 -0.663 0.000 0.716 297 K HN 0.585 nan 8.250 nan 0.000 0.450 298 Y N -0.672 119.689 120.300 0.103 0.000 2.774 298 Y HA 0.372 5.352 4.550 0.717 0.000 0.305 298 Y C 1.100 177.041 175.900 0.069 0.000 1.067 298 Y CA -0.303 57.858 58.100 0.103 0.000 1.304 298 Y CB 0.202 38.764 38.460 0.168 0.000 1.209 298 Y HN 0.080 nan 8.280 nan 0.000 0.543 299 A N -0.560 122.357 122.820 0.161 0.000 2.024 299 A HA -0.283 4.467 4.320 0.717 0.000 0.220 299 A C 1.905 179.548 177.584 0.099 0.000 1.164 299 A CA 1.590 53.720 52.037 0.155 0.000 0.643 299 A CB -0.846 18.216 19.000 0.103 0.000 0.806 299 A HN 0.677 nan 8.150 nan 0.000 0.451 300 Y N 1.522 121.825 120.300 0.005 0.000 2.165 300 Y HA -0.248 4.729 4.550 0.713 0.000 0.286 300 Y C 2.716 178.599 175.900 -0.029 0.000 1.155 300 Y CA 2.541 60.636 58.100 -0.008 0.000 1.164 300 Y CB -0.190 38.243 38.460 -0.046 0.000 0.978 300 Y HN 0.425 nan 8.280 nan 0.000 0.513 301 T N -3.674 110.798 114.554 -0.137 0.000 3.022 301 T HA 0.103 4.883 4.350 0.717 0.000 0.250 301 T C 1.209 175.706 174.700 -0.337 0.000 1.060 301 T CA 0.332 62.222 62.100 -0.351 0.000 1.013 301 T CB -0.671 67.834 68.868 -0.607 0.000 0.982 301 T HN 0.336 nan 8.240 nan 0.000 0.508 302 F N -0.211 119.728 119.950 -0.017 0.000 2.667 302 F HA 0.367 5.328 4.527 0.723 0.000 0.288 302 F C 1.285 176.857 175.800 -0.380 0.000 1.086 302 F CA -0.824 57.138 58.000 -0.065 0.000 1.297 302 F CB 0.386 39.393 39.000 0.011 0.000 1.059 302 F HN 0.229 nan 8.300 nan 0.000 0.624 303 H N 2.241 121.115 119.070 -0.326 0.000 2.690 303 H HA 0.230 5.216 4.556 0.716 0.000 0.289 303 H C -0.954 174.025 175.328 -0.581 0.000 1.089 303 H CA -0.115 55.688 56.048 -0.409 0.000 1.299 303 H CB 0.051 29.744 29.762 -0.116 0.000 1.405 303 H HN 0.097 nan 8.280 nan 0.000 0.463 304 H N 3.316 122.122 119.070 -0.440 0.000 2.637 304 H HA 0.164 5.150 4.556 0.716 0.000 0.363 304 H C 0.659 175.737 175.328 -0.418 0.000 1.131 304 H CA -0.360 55.491 56.048 -0.328 0.000 1.183 304 H CB 2.281 31.956 29.762 -0.146 0.000 1.637 304 H HN 0.734 nan 8.280 nan 0.000 0.531 305 T N -1.558 112.907 114.554 -0.148 0.000 3.467 305 T HA 0.077 4.857 4.350 0.717 0.000 0.258 305 T C 0.752 175.480 174.700 0.046 0.000 0.999 305 T CA 0.538 62.621 62.100 -0.027 0.000 1.148 305 T CB 0.044 68.876 68.868 -0.060 0.000 1.186 305 T HN 0.583 nan 8.240 nan 0.000 0.401 306 T N 0.052 114.587 114.554 -0.031 0.000 2.948 306 T HA 0.567 5.347 4.350 0.717 0.000 0.285 306 T C 0.894 175.528 174.700 -0.110 0.000 1.019 306 T CA -0.970 61.103 62.100 -0.045 0.000 1.013 306 T CB 2.159 71.000 68.868 -0.045 0.000 1.117 306 T HN 0.265 nan 8.240 nan 0.000 0.533 307 R N -0.299 120.139 120.500 -0.103 0.000 2.120 307 R HA -0.003 4.767 4.340 0.717 0.000 0.234 307 R C 1.753 178.027 176.300 -0.042 0.000 1.123 307 R CA 0.879 56.911 56.100 -0.114 0.000 0.975 307 R CB -0.699 29.580 30.300 -0.035 0.000 0.866 307 R HN 0.372 nan 8.270 nan 0.000 0.446 308 L N 0.814 122.020 121.223 -0.027 0.000 2.179 308 L HA -0.037 4.734 4.340 0.717 0.000 0.208 308 L C 1.993 178.853 176.870 -0.017 0.000 1.096 308 L CA 1.308 56.147 54.840 -0.002 0.000 0.779 308 L CB -0.808 41.245 42.059 -0.010 0.000 0.922 308 L HN 0.149 nan 8.230 nan 0.000 0.443 309 N N 0.196 118.870 118.700 -0.043 0.000 2.069 309 N HA -0.232 4.938 4.740 0.717 0.000 0.191 309 N C 1.759 177.230 175.510 -0.066 0.000 1.031 309 N CA 1.679 54.705 53.050 -0.040 0.000 0.852 309 N CB 0.082 38.544 38.487 -0.041 0.000 1.018 309 N HN 0.255 nan 8.380 nan 0.000 0.423 310 K N 0.140 120.462 120.400 -0.130 0.000 2.001 310 K HA -0.153 4.597 4.320 0.717 0.000 0.208 310 K C 2.042 178.651 176.600 0.015 0.000 1.048 310 K CA 1.384 57.547 56.287 -0.205 0.000 0.932 310 K CB -0.291 31.777 32.500 -0.719 0.000 0.715 310 K HN 0.294 nan 8.250 nan 0.000 0.437 311 E N 1.390 121.718 120.200 0.213 0.000 2.086 311 E HA -0.288 4.492 4.350 0.717 0.000 0.205 311 E C 1.818 178.399 176.600 -0.031 0.000 1.027 311 E CA 1.872 58.383 56.400 0.186 0.000 0.830 311 E CB 0.072 29.852 29.700 0.134 0.000 0.751 311 E HN 0.270 nan 8.360 nan 0.000 0.456 312 E N 0.242 120.420 120.200 -0.036 0.000 2.048 312 E HA -0.281 4.499 4.350 0.717 0.000 0.202 312 E C 2.160 178.692 176.600 -0.114 0.000 1.021 312 E CA 1.951 58.319 56.400 -0.053 0.000 0.825 312 E CB -0.168 29.521 29.700 -0.018 0.000 0.756 312 E HN 0.271 nan 8.360 nan 0.000 0.454 313 K N 0.487 120.783 120.400 -0.173 0.000 2.009 313 K HA -0.144 4.606 4.320 0.717 0.000 0.210 313 K C 2.263 178.422 176.600 -0.735 0.000 1.049 313 K CA 1.514 57.636 56.287 -0.275 0.000 0.929 313 K CB -0.323 31.913 32.500 -0.439 0.000 0.714 313 K HN -0.004 nan 8.250 nan 0.000 0.440 314 V N 2.180 121.558 119.914 -0.894 0.000 2.490 314 V HA -0.203 4.347 4.120 0.717 0.000 0.250 314 V C 2.132 177.837 176.094 -0.648 0.000 1.061 314 V CA 1.536 63.092 62.300 -1.240 0.000 1.064 314 V CB -0.418 30.971 31.823 -0.725 0.000 0.670 314 V HN 0.290 nan 8.190 nan 0.000 0.461 315 K N 0.144 120.332 120.400 -0.353 0.000 2.147 315 K HA -0.162 4.588 4.320 0.717 0.000 0.205 315 K C 1.704 178.269 176.600 -0.059 0.000 1.049 315 K CA 1.279 57.472 56.287 -0.157 0.000 0.936 315 K CB -0.136 32.306 32.500 -0.097 0.000 0.722 315 K HN 0.596 nan 8.250 nan 0.000 0.446 316 E N -0.413 119.744 120.200 -0.072 0.000 2.463 316 E HA -0.066 4.714 4.350 0.717 0.000 0.191 316 E C -0.257 176.533 176.600 0.318 0.000 1.083 316 E CA 0.053 56.515 56.400 0.103 0.000 0.872 316 E CB 0.149 29.929 29.700 0.133 0.000 0.966 316 E HN 0.164 nan 8.360 nan 0.000 0.491 317 W N 0.036 121.389 121.300 0.089 0.000 2.516 317 W HA 0.238 5.368 4.660 0.783 0.000 0.343 317 W C 1.212 177.807 176.519 0.127 0.000 1.094 317 W CA -1.415 55.996 57.345 0.110 0.000 1.250 317 W CB 1.042 30.564 29.460 0.105 0.000 1.308 317 W HN -0.213 nan 8.180 nan 0.000 0.588 318 S N 0.703 116.635 115.700 0.387 0.000 2.486 318 S HA 0.097 4.997 4.470 0.717 0.000 0.220 318 S C -0.052 174.719 174.600 0.285 0.000 1.011 318 S CA 0.206 58.576 58.200 0.284 0.000 0.921 318 S CB 0.114 63.459 63.200 0.241 0.000 0.785 318 S HN 0.254 nan 8.310 nan 0.000 0.517 319 L N 0.459 121.884 121.223 0.337 0.000 2.482 319 L HA 0.639 5.409 4.340 0.717 0.000 0.263 319 L C -1.759 175.376 176.870 0.441 0.000 0.957 319 L CA -0.702 54.309 54.840 0.284 0.000 0.836 319 L CB 1.718 43.794 42.059 0.029 0.000 1.324 319 L HN 0.078 nan 8.230 nan 0.000 0.406 320 C N 5.385 124.933 119.300 0.414 0.000 2.381 320 C HA 0.838 5.728 4.460 0.717 0.000 0.328 320 C C -0.952 174.166 174.990 0.213 0.000 1.190 320 C CA -0.424 58.870 59.018 0.459 0.000 1.369 320 C CB 0.507 28.568 27.740 0.536 0.000 2.029 320 C HN 0.627 nan 8.230 nan 0.000 0.448 321 V N 6.082 126.063 119.914 0.112 0.000 2.398 321 V HA 0.661 5.211 4.120 0.717 0.000 0.286 321 V C 0.722 176.774 176.094 -0.069 0.000 1.026 321 V CA -0.189 61.999 62.300 -0.187 0.000 0.868 321 V CB 1.457 33.170 31.823 -0.183 0.000 0.982 321 V HN 1.060 nan 8.190 nan 0.000 0.443 322 A N 4.053 126.845 122.820 -0.047 0.000 2.391 322 A HA 0.619 5.369 4.320 0.717 0.000 0.316 322 A C 0.674 178.294 177.584 0.059 0.000 1.381 322 A CA -0.280 51.788 52.037 0.051 0.000 0.998 322 A CB -0.053 19.031 19.000 0.140 0.000 1.147 322 A HN 0.929 nan 8.150 nan 0.000 0.545 323 T N -0.365 114.192 114.554 0.004 0.000 2.816 323 T HA 0.586 5.366 4.350 0.717 0.000 0.282 323 T C -0.562 174.205 174.700 0.113 0.000 0.993 323 T CA -0.392 61.738 62.100 0.050 0.000 0.994 323 T CB 1.347 70.180 68.868 -0.057 0.000 1.025 323 T HN 0.537 nan 8.240 nan 0.000 0.529 324 D N -0.509 119.988 120.400 0.162 0.000 2.937 324 D HA 0.425 5.495 4.640 0.717 0.000 0.215 324 D C -1.575 174.834 176.300 0.182 0.000 1.274 324 D CA -0.563 53.528 54.000 0.152 0.000 0.869 324 D CB 1.876 42.726 40.800 0.083 0.000 1.675 324 D HN 0.529 nan 8.370 nan 0.000 0.538 325 V N 2.674 122.706 119.914 0.197 0.000 2.448 325 V HA 0.534 5.084 4.120 0.717 0.000 0.295 325 V C 0.332 176.544 176.094 0.196 0.000 1.025 325 V CA -0.952 61.470 62.300 0.204 0.000 0.859 325 V CB 1.394 33.369 31.823 0.253 0.000 0.988 325 V HN 0.678 nan 8.190 nan 0.000 0.431 326 S N 2.688 118.498 115.700 0.183 0.000 2.523 326 S HA 0.287 5.187 4.470 0.717 0.000 0.275 326 S C 0.315 175.113 174.600 0.329 0.000 1.281 326 S CA -0.289 58.036 58.200 0.209 0.000 1.050 326 S CB 0.697 64.012 63.200 0.191 0.000 0.937 326 S HN 0.911 nan 8.310 nan 0.000 0.492 327 D N 0.876 121.428 120.400 0.253 0.000 2.704 327 D HA -0.264 4.806 4.640 0.717 0.000 0.232 327 D C 0.570 177.072 176.300 0.336 0.000 1.183 327 D CA 1.046 55.181 54.000 0.226 0.000 0.647 327 D CB -1.455 39.421 40.800 0.126 0.000 1.013 327 D HN 1.018 nan 8.370 nan 0.000 0.415 328 H N 0.326 119.536 119.070 0.234 0.000 2.289 328 H HA -0.161 4.825 4.556 0.717 0.000 0.294 328 H C 1.373 176.844 175.328 0.240 0.000 1.095 328 H CA 2.677 58.873 56.048 0.247 0.000 1.256 328 H CB 0.120 29.989 29.762 0.178 0.000 1.359 328 H HN 0.206 nan 8.280 nan 0.000 0.487 329 D N -0.953 119.424 120.400 -0.039 0.000 2.117 329 D HA -0.142 4.928 4.640 0.717 0.000 0.197 329 D C 2.308 178.549 176.300 -0.098 0.000 0.987 329 D CA 2.166 56.079 54.000 -0.145 0.000 0.829 329 D CB -0.761 40.002 40.800 -0.061 0.000 0.961 329 D HN 0.685 nan 8.370 nan 0.000 0.460 330 T N -2.697 111.808 114.554 -0.081 0.000 3.055 330 T HA -0.005 4.775 4.350 0.717 0.000 0.265 330 T C 1.852 176.480 174.700 -0.121 0.000 1.111 330 T CA 0.316 62.334 62.100 -0.136 0.000 1.118 330 T CB -0.517 68.219 68.868 -0.220 0.000 0.909 330 T HN 0.080 nan 8.240 nan 0.000 0.501 331 F N -0.490 119.454 119.950 -0.011 0.000 2.473 331 F HA 0.340 5.299 4.527 0.720 0.000 0.294 331 F C 0.859 176.648 175.800 -0.018 0.000 1.103 331 F CA -1.358 56.644 58.000 0.003 0.000 1.442 331 F CB 0.015 39.029 39.000 0.025 0.000 1.097 331 F HN 0.171 nan 8.300 nan 0.000 0.547 332 W N 5.812 127.053 121.300 -0.099 0.000 2.561 332 W HA -0.046 5.043 4.660 0.716 0.000 0.343 332 W C -2.054 174.333 176.519 -0.221 0.000 1.190 332 W CA -1.718 55.490 57.345 -0.229 0.000 1.232 332 W CB -0.096 29.175 29.460 -0.315 0.000 1.195 332 W HN -0.149 nan 8.180 nan 0.000 0.571 333 P HA 0.016 nan 4.420 nan 0.000 0.271 333 P C 0.719 177.445 177.300 -0.956 0.000 1.233 333 P CA 0.698 63.257 63.100 -0.902 0.000 0.764 333 P CB 1.068 31.830 31.700 -1.563 0.000 0.825 334 G N 4.424 113.000 108.800 -0.372 0.000 2.450 334 G HA2 -0.237 4.153 3.960 0.717 0.000 0.220 334 G HA3 -0.237 4.153 3.960 0.717 0.000 0.220 334 G C 1.291 176.067 174.900 -0.207 0.000 1.130 334 G CA 0.036 45.036 45.100 -0.167 0.000 0.760 334 G HN 0.700 nan 8.290 nan 0.000 0.557 335 W N 0.253 121.438 121.300 -0.192 0.000 2.374 335 W HA 0.013 5.100 4.660 0.713 0.000 0.288 335 W C 1.673 178.020 176.519 -0.287 0.000 1.218 335 W CA 0.469 57.699 57.345 -0.191 0.000 1.245 335 W CB -1.067 28.292 29.460 -0.169 0.000 1.126 335 W HN 0.165 nan 8.180 nan 0.000 0.545 336 L N 2.234 122.847 121.223 -1.017 0.000 2.083 336 L HA -0.122 4.648 4.340 0.717 0.000 0.209 336 L C 3.041 179.672 176.870 -0.398 0.000 1.083 336 L CA 2.100 56.359 54.840 -0.969 0.000 0.752 336 L CB -1.031 40.045 42.059 -1.638 0.000 0.899 336 L HN -0.012 nan 8.230 nan 0.000 0.433 337 R N -0.468 119.864 120.500 -0.281 0.000 2.080 337 R HA -0.185 4.585 4.340 0.717 0.000 0.236 337 R C 1.804 178.161 176.300 0.096 0.000 1.137 337 R CA 2.087 58.264 56.100 0.129 0.000 0.943 337 R CB -0.506 29.918 30.300 0.207 0.000 0.846 337 R HN 0.406 nan 8.270 nan 0.000 0.431 338 D N 0.989 121.418 120.400 0.049 0.000 2.144 338 D HA -0.183 4.887 4.640 0.717 0.000 0.199 338 D C 1.981 178.314 176.300 0.055 0.000 0.984 338 D CA 0.971 55.012 54.000 0.068 0.000 0.834 338 D CB -0.238 40.608 40.800 0.076 0.000 0.955 338 D HN 0.304 nan 8.370 nan 0.000 0.465 339 L N 0.659 121.910 121.223 0.046 0.000 1.994 339 L HA -0.147 4.623 4.340 0.717 0.000 0.208 339 L C 2.378 179.250 176.870 0.004 0.000 1.071 339 L CA 1.054 55.918 54.840 0.039 0.000 0.745 339 L CB -0.176 41.918 42.059 0.057 0.000 0.892 339 L HN -0.066 nan 8.230 nan 0.000 0.431 340 I N -0.741 119.821 120.570 -0.012 0.000 2.163 340 I HA -0.397 4.203 4.170 0.717 0.000 0.243 340 I C 2.680 178.725 176.117 -0.120 0.000 1.085 340 I CA 1.472 62.732 61.300 -0.067 0.000 1.347 340 I CB -0.544 37.455 38.000 -0.002 0.000 1.044 340 I HN 0.462 nan 8.210 nan 0.000 0.408 341 C N 0.561 119.853 119.300 -0.014 0.000 2.413 341 C HA -0.215 4.675 4.460 0.717 0.000 0.276 341 C C 2.630 177.601 174.990 -0.032 0.000 1.236 341 C CA 1.470 60.482 59.018 -0.009 0.000 1.735 341 C CB -1.015 26.779 27.740 0.090 0.000 2.031 341 C HN 0.584 nan 8.230 nan 0.000 0.474 342 D N 0.548 120.944 120.400 -0.006 0.000 2.097 342 D HA -0.174 4.896 4.640 0.717 0.000 0.195 342 D C 2.063 178.349 176.300 -0.023 0.000 0.989 342 D CA 1.703 55.703 54.000 0.000 0.000 0.827 342 D CB -0.283 40.527 40.800 0.016 0.000 0.966 342 D HN 0.377 nan 8.370 nan 0.000 0.456 343 E N -0.163 120.011 120.200 -0.045 0.000 2.110 343 E HA -0.101 4.679 4.350 0.717 0.000 0.193 343 E C 2.211 178.750 176.600 -0.102 0.000 0.988 343 E CA 0.774 57.141 56.400 -0.055 0.000 0.804 343 E CB -0.424 29.244 29.700 -0.053 0.000 0.745 343 E HN 0.416 nan 8.360 nan 0.000 0.458 344 L N -0.318 120.780 121.223 -0.208 0.000 2.083 344 L HA -0.163 4.607 4.340 0.717 0.000 0.209 344 L C 2.404 179.228 176.870 -0.078 0.000 1.083 344 L CA 0.795 55.443 54.840 -0.320 0.000 0.752 344 L CB -0.325 41.384 42.059 -0.583 0.000 0.899 344 L HN 0.216 nan 8.230 nan 0.000 0.433 345 L N -0.515 120.689 121.223 -0.033 0.000 2.017 345 L HA -0.234 4.536 4.340 0.717 0.000 0.208 345 L C 2.423 179.314 176.870 0.035 0.000 1.073 345 L CA 1.132 55.989 54.840 0.028 0.000 0.745 345 L CB -0.716 41.358 42.059 0.026 0.000 0.894 345 L HN 0.348 nan 8.230 nan 0.000 0.432 346 N N 0.261 118.972 118.700 0.018 0.000 2.036 346 N HA -0.224 4.946 4.740 0.717 0.000 0.195 346 N C 1.818 177.352 175.510 0.039 0.000 1.037 346 N CA 1.654 54.719 53.050 0.024 0.000 0.855 346 N CB -0.402 38.094 38.487 0.016 0.000 1.033 346 N HN 0.341 nan 8.380 nan 0.000 0.423 347 M N -0.410 119.222 119.600 0.053 0.000 2.530 347 M HA -0.045 4.865 4.480 0.717 0.000 0.261 347 M C 0.830 177.194 176.300 0.106 0.000 1.067 347 M CA 1.191 56.548 55.300 0.095 0.000 1.071 347 M CB -0.195 32.492 32.600 0.144 0.000 1.405 347 M HN 0.368 nan 8.290 nan 0.000 0.478 348 G N -0.349 108.509 108.800 0.096 0.000 2.141 348 G HA2 -0.237 4.153 3.960 0.717 0.000 0.195 348 G HA3 -0.237 4.153 3.960 0.717 0.000 0.195 348 G C -0.386 174.508 174.900 -0.010 0.000 1.012 348 G CA -0.735 44.386 45.100 0.035 0.000 0.696 348 G HN 0.441 nan 8.290 nan 0.000 0.508 349 Y N 0.686 120.912 120.300 -0.125 0.000 2.304 349 Y HA 0.501 5.481 4.550 0.717 0.000 0.327 349 Y C 1.239 177.015 175.900 -0.206 0.000 1.209 349 Y CA 0.093 58.072 58.100 -0.202 0.000 1.299 349 Y CB 1.160 39.492 38.460 -0.214 0.000 1.249 349 Y HN 0.509 nan 8.280 nan 0.000 0.519 350 A N 5.631 128.295 122.820 -0.258 0.000 2.548 350 A HA 0.069 4.819 4.320 0.717 0.000 0.247 350 A C -1.796 175.595 177.584 -0.322 0.000 1.067 350 A CA -1.020 50.781 52.037 -0.394 0.000 0.757 350 A CB -0.204 18.227 19.000 -0.950 0.000 0.996 350 A HN 0.654 nan 8.150 nan 0.000 0.504 351 P HA -0.213 nan 4.420 nan 0.000 0.215 351 P C 1.658 178.998 177.300 0.068 0.000 1.157 351 P CA 2.127 65.245 63.100 0.029 0.000 0.874 351 P CB -0.175 31.587 31.700 0.102 0.000 0.790 352 W N -1.540 119.847 121.300 0.145 0.000 2.338 352 W HA -0.180 4.910 4.660 0.718 0.000 0.304 352 W C 2.037 178.671 176.519 0.191 0.000 1.212 352 W CA 0.603 58.027 57.345 0.133 0.000 1.264 352 W CB -2.011 27.512 29.460 0.105 0.000 1.142 352 W HN 0.078 nan 8.180 nan 0.000 0.512 353 W N 2.304 123.263 121.300 -0.568 0.000 2.381 353 W HA -0.149 4.940 4.660 0.716 0.000 0.301 353 W C 2.452 178.945 176.519 -0.044 0.000 1.205 353 W CA 3.012 60.137 57.345 -0.366 0.000 1.285 353 W CB -0.555 28.390 29.460 -0.860 0.000 1.133 353 W HN -0.267 nan 8.180 nan 0.000 0.521 354 V N 1.143 121.188 119.914 0.217 0.000 2.407 354 V HA -0.299 4.251 4.120 0.717 0.000 0.248 354 V C 2.285 178.420 176.094 0.067 0.000 1.055 354 V CA 2.218 64.624 62.300 0.176 0.000 1.049 354 V CB -1.129 30.784 31.823 0.151 0.000 0.662 354 V HN 0.050 nan 8.190 nan 0.000 0.455 355 K N 0.601 121.053 120.400 0.086 0.000 2.063 355 K HA -0.126 4.624 4.320 0.717 0.000 0.208 355 K C 1.910 178.553 176.600 0.071 0.000 1.048 355 K CA 1.603 57.955 56.287 0.109 0.000 0.928 355 K CB -0.648 31.939 32.500 0.145 0.000 0.713 355 K HN 0.411 nan 8.250 nan 0.000 0.442 356 L N -0.538 120.687 121.223 0.004 0.000 1.989 356 L HA -0.179 4.591 4.340 0.717 0.000 0.211 356 L C 2.289 179.061 176.870 -0.163 0.000 1.071 356 L CA 1.684 56.485 54.840 -0.066 0.000 0.749 356 L CB -0.598 41.377 42.059 -0.140 0.000 0.890 356 L HN 0.165 nan 8.230 nan 0.000 0.431 357 F N 0.860 120.499 119.950 -0.519 0.000 2.091 357 F HA -0.298 4.658 4.527 0.716 0.000 0.299 357 F C 2.682 178.368 175.800 -0.190 0.000 1.103 357 F CA 2.186 59.901 58.000 -0.475 0.000 1.228 357 F CB -0.227 38.352 39.000 -0.702 0.000 0.984 357 F HN 0.148 nan 8.300 nan 0.000 0.477 358 E N -0.588 119.626 120.200 0.023 0.000 2.051 358 E HA -0.213 4.567 4.350 0.717 0.000 0.192 358 E C 2.019 178.581 176.600 -0.064 0.000 0.991 358 E CA 2.012 58.417 56.400 0.009 0.000 0.799 358 E CB -0.331 29.427 29.700 0.097 0.000 0.748 358 E HN 0.414 nan 8.360 nan 0.000 0.449 359 T N 0.598 115.139 114.554 -0.023 0.000 2.759 359 T HA -0.192 4.588 4.350 0.717 0.000 0.269 359 T C 2.048 176.697 174.700 -0.084 0.000 1.042 359 T CA 1.647 63.729 62.100 -0.030 0.000 1.140 359 T CB -0.435 68.478 68.868 0.075 0.000 0.864 359 T HN 0.331 nan 8.240 nan 0.000 0.455 360 S N 1.202 116.821 115.700 -0.135 0.000 2.442 360 S HA 0.034 4.934 4.470 0.717 0.000 0.236 360 S C 1.600 176.163 174.600 -0.062 0.000 1.007 360 S CA 0.680 58.808 58.200 -0.119 0.000 0.965 360 S CB -0.576 62.499 63.200 -0.209 0.000 0.773 360 S HN 0.505 nan 8.310 nan 0.000 0.504 361 L N 0.777 121.900 121.223 -0.166 0.000 2.741 361 L HA 0.356 5.126 4.340 0.717 0.000 0.237 361 L C 0.969 177.802 176.870 -0.062 0.000 1.178 361 L CA -0.041 54.707 54.840 -0.152 0.000 0.973 361 L CB 0.026 41.947 42.059 -0.230 0.000 1.255 361 L HN 0.456 nan 8.230 nan 0.000 0.498 362 K N -1.234 119.144 120.400 -0.037 0.000 2.625 362 K HA 0.238 4.988 4.320 0.717 0.000 0.190 362 K C -0.189 176.390 176.600 -0.034 0.000 1.174 362 K CA -0.556 55.711 56.287 -0.033 0.000 1.103 362 K CB 0.568 33.043 32.500 -0.042 0.000 0.900 362 K HN -0.025 nan 8.250 nan 0.000 0.540 363 L N 2.989 124.225 121.223 0.022 0.000 2.452 363 L HA 0.261 5.031 4.340 0.717 0.000 0.267 363 L C -2.356 174.560 176.870 0.076 0.000 1.188 363 L CA -1.373 53.480 54.840 0.022 0.000 0.821 363 L CB 0.354 42.447 42.059 0.058 0.000 1.102 363 L HN -0.001 nan 8.230 nan 0.000 0.470 364 P HA 0.243 nan 4.420 nan 0.000 0.274 364 P C -1.620 175.765 177.300 0.142 0.000 1.256 364 P CA -0.310 62.834 63.100 0.075 0.000 0.795 364 P CB 0.815 32.542 31.700 0.046 0.000 1.038 365 V N -1.316 118.691 119.914 0.154 0.000 2.656 365 V HA 0.533 5.083 4.120 0.717 0.000 0.307 365 V C -1.459 174.748 176.094 0.190 0.000 1.051 365 V CA -1.032 61.370 62.300 0.170 0.000 0.893 365 V CB 1.554 33.430 31.823 0.089 0.000 0.999 365 V HN 0.441 nan 8.190 nan 0.000 0.426 366 Y N 4.042 124.394 120.300 0.086 0.000 2.335 366 Y HA 0.720 5.700 4.550 0.717 0.000 0.339 366 Y C -0.323 175.544 175.900 -0.055 0.000 0.987 366 Y CA -0.602 57.559 58.100 0.103 0.000 1.140 366 Y CB 1.688 40.279 38.460 0.218 0.000 1.173 366 Y HN 0.681 nan 8.280 nan 0.000 0.486 367 V N 8.106 127.640 119.914 -0.633 0.000 2.385 367 V HA 0.258 4.808 4.120 0.717 0.000 0.269 367 V C 0.841 176.380 176.094 -0.927 0.000 1.043 367 V CA 0.561 62.444 62.300 -0.695 0.000 0.906 367 V CB 0.779 32.192 31.823 -0.682 0.000 0.995 367 V HN 1.116 nan 8.190 nan 0.000 0.467 368 G N 4.022 112.383 108.800 -0.730 0.000 2.654 368 G HA2 0.309 4.699 3.960 0.717 0.000 0.215 368 G HA3 0.309 4.699 3.960 0.717 0.000 0.215 368 G C 0.424 175.033 174.900 -0.484 0.000 1.310 368 G CA 0.708 45.453 45.100 -0.592 0.000 0.866 368 G HN 1.076 nan 8.290 nan 0.000 0.558 369 A N 0.100 122.822 122.820 -0.163 0.000 3.005 369 A HA 0.620 5.370 4.320 0.717 0.000 0.308 369 A C -1.539 176.163 177.584 0.197 0.000 1.173 369 A CA -0.530 51.539 52.037 0.053 0.000 0.796 369 A CB 1.190 20.299 19.000 0.181 0.000 1.325 369 A HN 0.195 nan 8.150 nan 0.000 0.467 370 P HA 0.053 nan 4.420 nan 0.000 0.222 370 P C 0.582 177.866 177.300 -0.027 0.000 1.147 370 P CA 1.909 64.936 63.100 -0.121 0.000 0.790 370 P CB 0.360 31.860 31.700 -0.332 0.000 0.780 371 A N -1.718 121.138 122.820 0.060 0.000 2.564 371 A HA 0.612 5.362 4.320 0.717 0.000 0.291 371 A C -3.157 174.316 177.584 -0.186 0.000 1.102 371 A CA -1.499 50.420 52.037 -0.197 0.000 0.660 371 A CB 0.292 19.205 19.000 -0.144 0.000 1.283 371 A HN -0.259 nan 8.150 nan 0.000 0.430 372 P HA 0.392 nan 4.420 nan 0.000 0.268 372 P C -0.416 176.867 177.300 -0.028 0.000 1.204 372 P CA 1.139 64.131 63.100 -0.179 0.000 0.768 372 P CB 0.446 31.990 31.700 -0.260 0.000 0.842 373 E N -0.320 119.909 120.200 0.049 0.000 2.637 373 E HA -0.244 4.536 4.350 0.717 0.000 0.265 373 E C -0.589 176.069 176.600 0.097 0.000 1.073 373 E CA 1.275 57.706 56.400 0.052 0.000 0.778 373 E CB -1.703 28.009 29.700 0.020 0.000 1.362 373 E HN 0.521 nan 8.360 nan 0.000 0.413 374 Q N -1.595 118.304 119.800 0.165 0.000 2.418 374 Q HA 0.670 5.440 4.340 0.717 0.000 0.282 374 Q C 0.323 176.512 176.000 0.316 0.000 1.044 374 Q CA -0.522 55.438 55.803 0.261 0.000 0.813 374 Q CB 2.443 31.358 28.738 0.294 0.000 1.428 374 Q HN 0.273 nan 8.270 nan 0.000 0.402 375 G N 0.172 109.201 108.800 0.382 0.000 2.378 375 G HA2 -0.161 4.229 3.960 0.717 0.000 0.198 375 G HA3 -0.161 4.229 3.960 0.717 0.000 0.198 375 G C -1.143 173.921 174.900 0.274 0.000 1.223 375 G CA -0.195 44.997 45.100 0.153 0.000 1.088 375 G HN 0.902 nan 8.290 nan 0.000 0.530 376 H N -0.645 118.362 119.070 -0.104 0.000 2.604 376 H HA -0.051 4.936 4.556 0.717 0.000 0.321 376 H C 0.270 175.640 175.328 0.070 0.000 1.132 376 H CA 1.503 57.551 56.048 -0.001 0.000 1.129 376 H CB -1.933 27.914 29.762 0.141 0.000 1.526 376 H HN 0.845 nan 8.280 nan 0.000 0.415 377 T N 0.700 115.229 114.554 -0.041 0.000 2.921 377 T HA 0.461 5.241 4.350 0.717 0.000 0.297 377 T C -0.303 174.503 174.700 0.175 0.000 1.013 377 T CA -0.897 61.329 62.100 0.211 0.000 0.990 377 T CB 2.026 71.127 68.868 0.388 0.000 1.023 377 T HN 0.254 nan 8.240 nan 0.000 0.447 378 L N 4.340 125.815 121.223 0.421 0.000 2.264 378 L HA 0.605 5.375 4.340 0.717 0.000 0.289 378 L C -1.154 175.983 176.870 0.445 0.000 1.044 378 L CA -0.407 54.715 54.840 0.470 0.000 0.807 378 L CB 0.270 42.643 42.059 0.523 0.000 1.192 378 L HN 0.588 nan 8.230 nan 0.000 0.425 379 L N 6.415 127.841 121.223 0.338 0.000 2.264 379 L HA 0.763 5.533 4.340 0.717 0.000 0.289 379 L C 0.617 177.628 176.870 0.236 0.000 1.044 379 L CA -0.370 54.637 54.840 0.279 0.000 0.807 379 L CB 0.741 42.936 42.059 0.227 0.000 1.192 379 L HN 0.945 nan 8.230 nan 0.000 0.425 380 G N 2.281 111.231 108.800 0.251 0.000 2.719 380 G HA2 -0.178 4.212 3.960 0.717 0.000 0.686 380 G HA3 -0.178 4.212 3.960 0.717 0.000 0.686 380 G C -1.063 174.023 174.900 0.311 0.000 1.201 380 G CA -0.886 44.343 45.100 0.214 0.000 0.768 380 G HN 0.684 nan 8.290 nan 0.000 0.629 381 D N 2.345 122.894 120.400 0.250 0.000 2.316 381 D HA 0.496 5.566 4.640 0.717 0.000 0.245 381 D C -0.758 175.516 176.300 -0.043 0.000 1.171 381 D CA -2.235 51.851 54.000 0.144 0.000 0.856 381 D CB 1.485 42.402 40.800 0.195 0.000 1.090 381 D HN 0.038 nan 8.370 nan 0.000 0.476 382 P HA -0.067 nan 4.420 nan 0.000 0.220 382 P C 1.175 178.377 177.300 -0.164 0.000 1.148 382 P CA 0.703 63.681 63.100 -0.205 0.000 0.803 382 P CB 0.347 31.864 31.700 -0.306 0.000 0.782 383 S N -1.339 114.303 115.700 -0.096 0.000 2.399 383 S HA -0.102 4.798 4.470 0.717 0.000 0.231 383 S C 1.092 175.715 174.600 0.038 0.000 1.022 383 S CA 1.079 59.286 58.200 0.011 0.000 0.983 383 S CB -0.548 62.667 63.200 0.025 0.000 0.803 383 S HN 0.171 nan 8.310 nan 0.000 0.480 384 N N 1.041 119.692 118.700 -0.082 0.000 2.675 384 N HA 0.288 5.458 4.740 0.717 0.000 0.254 384 N C -3.382 171.967 175.510 -0.268 0.000 1.224 384 N CA -1.531 51.421 53.050 -0.162 0.000 0.777 384 N CB 1.247 39.741 38.487 0.011 0.000 1.256 384 N HN -0.030 nan 8.380 nan 0.000 0.531 385 P HA 0.090 nan 4.420 nan 0.000 0.260 385 P C -0.461 176.712 177.300 -0.212 0.000 1.207 385 P CA 0.310 63.196 63.100 -0.356 0.000 0.780 385 P CB 0.286 31.686 31.700 -0.499 0.000 0.789 386 D N 2.028 122.366 120.400 -0.102 0.000 2.914 386 D HA 0.134 5.204 4.640 0.717 0.000 0.349 386 D C -0.418 175.871 176.300 -0.018 0.000 1.540 386 D CA -0.221 53.750 54.000 -0.047 0.000 0.778 386 D CB -0.700 40.086 40.800 -0.024 0.000 1.213 386 D HN 0.017 nan 8.370 nan 0.000 0.451 387 L N 0.532 121.744 121.223 -0.019 0.000 2.439 387 L HA 0.488 5.258 4.340 0.717 0.000 0.259 387 L C 0.487 177.357 176.870 -0.000 0.000 1.129 387 L CA 0.187 55.026 54.840 -0.002 0.000 0.803 387 L CB 1.055 43.118 42.059 0.006 0.000 1.161 387 L HN -0.001 nan 8.230 nan 0.000 0.462 388 E N 1.501 121.704 120.200 0.004 0.000 3.666 388 E HA 0.144 4.924 4.350 0.717 0.000 0.230 388 E C 0.342 176.944 176.600 0.003 0.000 1.235 388 E CA 0.052 56.459 56.400 0.013 0.000 1.096 388 E CB 1.006 30.720 29.700 0.023 0.000 1.287 388 E HN 0.448 nan 8.360 nan 0.000 0.406 389 V N -1.462 118.440 119.914 -0.019 0.000 3.623 389 V HA 0.413 4.963 4.120 0.717 0.000 0.271 389 V C 0.971 177.036 176.094 -0.049 0.000 1.248 389 V CA 0.924 63.197 62.300 -0.046 0.000 1.156 389 V CB -0.396 31.376 31.823 -0.085 0.000 0.870 389 V HN 0.512 nan 8.190 nan 0.000 0.453 390 G N 0.579 109.384 108.800 0.009 0.000 2.503 390 G HA2 -0.198 4.192 3.960 0.717 0.000 0.235 390 G HA3 -0.198 4.192 3.960 0.717 0.000 0.235 390 G C -0.472 174.395 174.900 -0.054 0.000 1.179 390 G CA -0.129 45.025 45.100 0.090 0.000 0.944 390 G HN 0.491 nan 8.290 nan 0.000 0.580 391 L N 0.920 122.013 121.223 -0.217 0.000 2.349 391 L HA 0.550 5.320 4.340 0.717 0.000 0.275 391 L C 0.640 177.289 176.870 -0.369 0.000 1.115 391 L CA -0.116 54.440 54.840 -0.473 0.000 0.820 391 L CB 1.520 43.229 42.059 -0.583 0.000 1.135 391 L HN 0.541 nan 8.230 nan 0.000 0.445 392 S N 0.594 116.024 115.700 -0.451 0.000 2.532 392 S HA 0.116 5.016 4.470 0.717 0.000 0.318 392 S C 1.070 175.409 174.600 -0.435 0.000 1.083 392 S CA -0.382 57.477 58.200 -0.569 0.000 1.131 392 S CB 0.980 63.563 63.200 -1.027 0.000 0.973 392 S HN 0.809 nan 8.310 nan 0.000 0.468 393 S N 4.167 119.697 115.700 -0.282 0.000 2.393 393 S HA -0.189 4.711 4.470 0.717 0.000 0.234 393 S C 1.925 176.483 174.600 -0.071 0.000 1.064 393 S CA 1.874 59.983 58.200 -0.152 0.000 1.088 393 S CB -1.229 61.913 63.200 -0.097 0.000 0.939 393 S HN 0.843 nan 8.310 nan 0.000 0.448 394 G N 1.355 110.146 108.800 -0.015 0.000 2.776 394 G HA2 0.005 4.395 3.960 0.717 0.000 0.209 394 G HA3 0.005 4.395 3.960 0.717 0.000 0.209 394 G C 0.539 175.557 174.900 0.197 0.000 1.145 394 G CA -0.039 45.140 45.100 0.131 0.000 0.791 394 G HN 0.629 nan 8.290 nan 0.000 0.530 395 Q N 0.323 120.207 119.800 0.140 0.000 2.432 395 Q HA 0.112 4.882 4.340 0.717 0.000 0.264 395 Q C 1.690 177.735 176.000 0.074 0.000 1.035 395 Q CA 0.427 56.308 55.803 0.129 0.000 0.908 395 Q CB 1.003 29.718 28.738 -0.037 0.000 1.280 395 Q HN 0.117 nan 8.270 nan 0.000 0.455 396 G N 2.077 110.927 108.800 0.083 0.000 2.498 396 G HA2 -0.080 4.310 3.960 0.717 0.000 0.219 396 G HA3 -0.080 4.310 3.960 0.717 0.000 0.219 396 G C 0.634 175.617 174.900 0.138 0.000 1.119 396 G CA 0.804 45.978 45.100 0.123 0.000 0.766 396 G HN 0.621 nan 8.290 nan 0.000 0.552 397 A N -0.116 122.771 122.820 0.112 0.000 2.568 397 A HA 0.425 5.175 4.320 0.717 0.000 0.287 397 A C 1.832 179.439 177.584 0.038 0.000 0.967 397 A CA 0.950 53.070 52.037 0.137 0.000 1.004 397 A CB -0.427 18.766 19.000 0.322 0.000 1.233 397 A HN 0.279 nan 8.150 nan 0.000 0.513 398 T N -0.981 113.546 114.554 -0.045 0.000 2.869 398 T HA -0.225 4.555 4.350 0.717 0.000 0.270 398 T C 1.336 175.993 174.700 -0.072 0.000 1.082 398 T CA 1.734 63.750 62.100 -0.140 0.000 1.123 398 T CB -0.469 68.303 68.868 -0.159 0.000 0.856 398 T HN 0.579 nan 8.240 nan 0.000 0.499 399 D N 1.568 121.968 120.400 0.000 0.000 2.162 399 D HA -0.029 5.041 4.640 0.717 0.000 0.203 399 D C 2.176 178.488 176.300 0.021 0.000 0.967 399 D CA 0.496 54.512 54.000 0.026 0.000 0.840 399 D CB -0.720 40.114 40.800 0.058 0.000 0.972 399 D HN 0.433 nan 8.370 nan 0.000 0.482 400 L N -0.321 120.915 121.223 0.022 0.000 2.027 400 L HA -0.110 4.660 4.340 0.717 0.000 0.206 400 L C 2.781 179.726 176.870 0.125 0.000 1.074 400 L CA 0.854 55.707 54.840 0.022 0.000 0.745 400 L CB -0.434 41.657 42.059 0.053 0.000 0.898 400 L HN -0.045 nan 8.230 nan 0.000 0.433 401 M N -0.221 119.457 119.600 0.131 0.000 2.080 401 M HA -0.133 4.777 4.480 0.717 0.000 0.260 401 M C 2.411 178.913 176.300 0.336 0.000 1.068 401 M CA 1.997 57.415 55.300 0.198 0.000 1.109 401 M CB -1.876 30.568 32.600 -0.261 0.000 1.342 401 M HN 0.330 nan 8.290 nan 0.000 0.405 402 G N -0.372 108.530 108.800 0.170 0.000 2.418 402 G HA2 -0.193 4.197 3.960 0.717 0.000 0.217 402 G HA3 -0.193 4.197 3.960 0.717 0.000 0.217 402 G C 1.564 176.639 174.900 0.291 0.000 1.158 402 G CA 1.552 46.878 45.100 0.377 0.000 0.771 402 G HN 0.419 nan 8.290 nan 0.000 0.545 403 T N 1.566 116.219 114.554 0.165 0.000 2.674 403 T HA -0.090 4.690 4.350 0.717 0.000 0.265 403 T C 2.224 177.050 174.700 0.211 0.000 1.039 403 T CA 0.962 63.139 62.100 0.129 0.000 1.150 403 T CB -0.345 68.472 68.868 -0.086 0.000 0.864 403 T HN 0.057 nan 8.240 nan 0.000 0.427 404 L N 1.353 122.704 121.223 0.214 0.000 2.021 404 L HA -0.120 4.650 4.340 0.717 0.000 0.215 404 L C 2.332 179.429 176.870 0.379 0.000 1.074 404 L CA 1.936 56.970 54.840 0.323 0.000 0.760 404 L CB -1.388 40.874 42.059 0.338 0.000 0.889 404 L HN 0.297 nan 8.230 nan 0.000 0.433 405 L N -0.387 121.057 121.223 0.368 0.000 1.961 405 L HA -0.223 4.547 4.340 0.717 0.000 0.210 405 L C 2.497 179.514 176.870 0.244 0.000 1.072 405 L CA 1.975 56.982 54.840 0.277 0.000 0.749 405 L CB -0.576 41.614 42.059 0.218 0.000 0.889 405 L HN 0.180 nan 8.230 nan 0.000 0.432 406 M N -0.730 118.985 119.600 0.193 0.000 2.159 406 M HA -0.152 4.758 4.480 0.717 0.000 0.263 406 M C 2.611 178.885 176.300 -0.043 0.000 1.063 406 M CA 1.799 57.056 55.300 -0.072 0.000 1.110 406 M CB -1.860 30.694 32.600 -0.077 0.000 1.374 406 M HN 0.550 nan 8.290 nan 0.000 0.411 407 S N 0.700 116.584 115.700 0.307 0.000 2.356 407 S HA -0.091 4.809 4.470 0.717 0.000 0.223 407 S C 1.887 176.740 174.600 0.423 0.000 1.032 407 S CA 0.946 59.465 58.200 0.531 0.000 1.005 407 S CB 0.025 63.669 63.200 0.740 0.000 0.867 407 S HN 0.275 nan 8.310 nan 0.000 0.449 408 I N 1.586 122.327 120.570 0.285 0.000 2.252 408 I HA -0.088 4.512 4.170 0.717 0.000 0.245 408 I C 2.520 178.599 176.117 -0.065 0.000 1.102 408 I CA 1.390 62.696 61.300 0.010 0.000 1.385 408 I CB -2.111 35.718 38.000 -0.285 0.000 1.064 408 I HN 0.317 nan 8.210 nan 0.000 0.414 409 T N 0.715 115.266 114.554 -0.005 0.000 2.665 409 T HA -0.226 4.554 4.350 0.717 0.000 0.268 409 T C 1.890 176.646 174.700 0.094 0.000 1.035 409 T CA 1.711 63.836 62.100 0.042 0.000 1.151 409 T CB -0.367 68.499 68.868 -0.004 0.000 0.862 409 T HN 0.164 nan 8.240 nan 0.000 0.438 410 Y N 0.885 121.303 120.300 0.197 0.000 2.200 410 Y HA 0.031 5.009 4.550 0.714 0.000 0.290 410 Y C 2.198 178.172 175.900 0.123 0.000 1.137 410 Y CA 0.012 58.217 58.100 0.174 0.000 1.163 410 Y CB -1.154 37.415 38.460 0.181 0.000 0.988 410 Y HN 0.120 nan 8.280 nan 0.000 0.518 411 L N -0.395 120.971 121.223 0.238 0.000 2.012 411 L HA -0.169 4.601 4.340 0.717 0.000 0.210 411 L C 2.182 179.040 176.870 -0.019 0.000 1.073 411 L CA 1.585 56.413 54.840 -0.021 0.000 0.748 411 L CB -1.116 40.786 42.059 -0.260 0.000 0.891 411 L HN 0.041 nan 8.230 nan 0.000 0.431 412 V N -0.240 119.680 119.914 0.009 0.000 2.287 412 V HA -0.367 4.183 4.120 0.717 0.000 0.248 412 V C 2.694 178.864 176.094 0.127 0.000 1.053 412 V CA 2.309 64.631 62.300 0.036 0.000 1.027 412 V CB -0.601 31.271 31.823 0.082 0.000 0.646 412 V HN 0.610 nan 8.190 nan 0.000 0.447 413 M N -0.805 118.928 119.600 0.221 0.000 2.149 413 M HA -0.291 4.619 4.480 0.717 0.000 0.261 413 M C 2.305 178.814 176.300 0.349 0.000 1.064 413 M CA 1.925 57.419 55.300 0.324 0.000 1.102 413 M CB -0.135 32.678 32.600 0.356 0.000 1.369 413 M HN 0.433 nan 8.290 nan 0.000 0.408 414 Q N -0.150 119.807 119.800 0.262 0.000 2.049 414 Q HA -0.109 4.661 4.340 0.717 0.000 0.198 414 Q C 2.074 178.186 176.000 0.186 0.000 0.971 414 Q CA 1.297 57.274 55.803 0.290 0.000 0.833 414 Q CB -0.107 28.726 28.738 0.159 0.000 0.896 414 Q HN 0.529 nan 8.270 nan 0.000 0.434 415 L N 0.950 122.206 121.223 0.054 0.000 1.971 415 L HA -0.272 4.498 4.340 0.717 0.000 0.215 415 L C 1.947 178.797 176.870 -0.033 0.000 1.072 415 L CA 1.333 56.150 54.840 -0.039 0.000 0.758 415 L CB -0.642 41.351 42.059 -0.109 0.000 0.889 415 L HN 0.224 nan 8.230 nan 0.000 0.433 416 D N -0.989 119.387 120.400 -0.040 0.000 2.133 416 D HA -0.196 4.874 4.640 0.717 0.000 0.195 416 D C 1.943 178.061 176.300 -0.303 0.000 0.997 416 D CA 1.440 55.328 54.000 -0.187 0.000 0.840 416 D CB -0.156 40.494 40.800 -0.250 0.000 0.947 416 D HN 0.457 nan 8.370 nan 0.000 0.452 417 H N -2.068 117.048 119.070 0.077 0.000 2.652 417 H HA 0.226 5.203 4.556 0.702 0.000 0.274 417 H C 1.202 176.577 175.328 0.078 0.000 1.021 417 H CA 1.150 57.242 56.048 0.074 0.000 1.187 417 H CB 0.983 30.796 29.762 0.085 0.000 1.505 417 H HN 0.259 nan 8.280 nan 0.000 0.530 418 T N -3.783 110.889 114.554 0.195 0.000 3.123 418 T HA 0.350 5.130 4.350 0.717 0.000 0.266 418 T C 0.945 175.759 174.700 0.190 0.000 0.873 418 T CA 0.306 62.525 62.100 0.199 0.000 0.854 418 T CB 0.147 69.205 68.868 0.317 0.000 1.254 418 T HN 0.129 nan 8.240 nan 0.000 0.570 419 A N 2.341 125.197 122.820 0.061 0.000 2.992 419 A HA 0.598 5.348 4.320 0.717 0.000 0.263 419 A C -1.504 175.836 177.584 -0.407 0.000 0.928 419 A CA -0.782 51.126 52.037 -0.216 0.000 1.061 419 A CB 0.449 19.316 19.000 -0.221 0.000 1.173 419 A HN 0.274 nan 8.150 nan 0.000 0.482 420 P HA -0.244 nan 4.420 nan 0.000 0.220 420 P C 0.988 178.205 177.300 -0.139 0.000 1.144 420 P CA 1.462 64.485 63.100 -0.129 0.000 0.800 420 P CB -0.447 31.232 31.700 -0.034 0.000 0.772 421 H N -1.195 117.854 119.070 -0.034 0.000 2.563 421 H HA 0.127 5.060 4.556 0.627 0.000 0.272 421 H C 1.584 176.872 175.328 -0.067 0.000 1.005 421 H CA 0.237 56.262 56.048 -0.037 0.000 1.171 421 H CB -0.807 28.950 29.762 -0.009 0.000 1.351 421 H HN 0.218 nan 8.280 nan 0.000 0.602 422 L N 0.192 121.165 121.223 -0.416 0.000 2.515 422 L HA 0.020 4.790 4.340 0.717 0.000 0.223 422 L C 1.882 178.509 176.870 -0.406 0.000 1.079 422 L CA -0.080 54.531 54.840 -0.383 0.000 0.857 422 L CB -0.074 41.702 42.059 -0.472 0.000 1.050 422 L HN 0.099 nan 8.230 nan 0.000 0.476 423 N N 0.495 119.006 118.700 -0.315 0.000 2.132 423 N HA -0.212 4.958 4.740 0.717 0.000 0.191 423 N C 1.974 177.347 175.510 -0.228 0.000 1.015 423 N CA 1.901 54.789 53.050 -0.271 0.000 0.864 423 N CB -0.241 38.137 38.487 -0.181 0.000 1.006 423 N HN 0.375 nan 8.380 nan 0.000 0.430 424 S N 0.463 116.062 115.700 -0.169 0.000 2.500 424 S HA 0.015 4.915 4.470 0.717 0.000 0.239 424 S C 1.569 176.090 174.600 -0.131 0.000 0.989 424 S CA 0.409 58.538 58.200 -0.118 0.000 0.951 424 S CB 0.001 63.159 63.200 -0.070 0.000 0.759 424 S HN 0.219 nan 8.310 nan 0.000 0.523 425 R N 0.618 120.991 120.500 -0.212 0.000 2.275 425 R HA 0.321 5.091 4.340 0.717 0.000 0.199 425 R C 0.117 176.304 176.300 -0.189 0.000 0.989 425 R CA 0.382 56.364 56.100 -0.196 0.000 1.016 425 R CB -0.225 29.901 30.300 -0.291 0.000 0.918 425 R HN 0.522 nan 8.270 nan 0.000 0.473 426 I N 1.227 121.657 120.570 -0.233 0.000 2.460 426 I HA 0.196 4.796 4.170 0.717 0.000 0.277 426 I C 0.588 176.638 176.117 -0.111 0.000 1.057 426 I CA -0.112 61.086 61.300 -0.170 0.000 1.179 426 I CB 1.304 39.161 38.000 -0.240 0.000 1.329 426 I HN -0.183 nan 8.210 nan 0.000 0.478 427 K N 2.800 123.159 120.400 -0.069 0.000 2.399 427 K HA 0.202 4.952 4.320 0.717 0.000 0.196 427 K C -0.451 176.130 176.600 -0.032 0.000 1.103 427 K CA 0.149 56.406 56.287 -0.049 0.000 0.986 427 K CB 0.565 33.042 32.500 -0.039 0.000 0.952 427 K HN 0.712 nan 8.250 nan 0.000 0.541 428 D N -2.359 118.026 120.400 -0.024 0.000 2.768 428 D HA 0.125 5.195 4.640 0.717 0.000 0.327 428 D C 0.631 176.928 176.300 -0.005 0.000 1.302 428 D CA -0.746 53.247 54.000 -0.012 0.000 0.897 428 D CB 0.251 41.047 40.800 -0.006 0.000 1.420 428 D HN -0.377 nan 8.370 nan 0.000 0.494 429 M N -0.663 118.939 119.600 0.003 0.000 2.065 429 M HA 0.021 4.931 4.480 0.717 0.000 0.259 429 M C -1.008 175.300 176.300 0.014 0.000 1.071 429 M CA 1.674 56.980 55.300 0.010 0.000 1.109 429 M CB -2.453 30.156 32.600 0.016 0.000 1.313 429 M HN 0.378 nan 8.290 nan 0.000 0.408 430 P HA -0.144 nan 4.420 nan 0.000 0.213 430 P C 1.767 179.083 177.300 0.027 0.000 1.176 430 P CA 2.579 65.693 63.100 0.024 0.000 0.919 430 P CB -0.302 31.411 31.700 0.021 0.000 0.791 431 S N -0.748 114.965 115.700 0.021 0.000 2.402 431 S HA -0.210 4.690 4.470 0.717 0.000 0.233 431 S C 2.023 176.651 174.600 0.047 0.000 1.030 431 S CA 1.461 59.678 58.200 0.028 0.000 1.003 431 S CB -1.492 61.710 63.200 0.003 0.000 0.813 431 S HN 0.142 nan 8.310 nan 0.000 0.477 432 A N 1.206 124.040 122.820 0.024 0.000 1.841 432 A HA -0.021 4.729 4.320 0.717 0.000 0.214 432 A C 2.584 180.182 177.584 0.023 0.000 1.195 432 A CA 1.344 53.397 52.037 0.027 0.000 0.611 432 A CB -1.572 17.422 19.000 -0.010 0.000 0.835 432 A HN 0.699 nan 8.150 nan 0.000 0.443 433 C N -0.793 118.509 119.300 0.002 0.000 2.385 433 C HA -0.159 4.731 4.460 0.717 0.000 0.275 433 C C 2.864 177.851 174.990 -0.004 0.000 1.207 433 C CA 1.297 60.305 59.018 -0.016 0.000 1.760 433 C CB -1.498 26.254 27.740 0.021 0.000 2.051 433 C HN 0.588 nan 8.230 nan 0.000 0.467 434 R N -0.500 120.024 120.500 0.041 0.000 2.083 434 R HA -0.173 4.597 4.340 0.717 0.000 0.237 434 R C 2.118 178.454 176.300 0.061 0.000 1.137 434 R CA 2.022 58.159 56.100 0.061 0.000 0.951 434 R CB -0.667 29.679 30.300 0.076 0.000 0.851 434 R HN 0.600 nan 8.270 nan 0.000 0.434 435 F N 1.434 121.352 119.950 -0.053 0.000 2.075 435 F HA -0.218 4.723 4.527 0.691 0.000 0.297 435 F C 2.074 177.811 175.800 -0.105 0.000 1.113 435 F CA 1.338 59.297 58.000 -0.069 0.000 1.218 435 F CB -0.632 38.303 39.000 -0.108 0.000 0.984 435 F HN -0.064 nan 8.300 nan 0.000 0.472 436 L N 1.026 122.048 121.223 -0.336 0.000 2.043 436 L HA -0.249 4.521 4.340 0.717 0.000 0.212 436 L C 2.287 178.807 176.870 -0.583 0.000 1.075 436 L CA 2.468 56.942 54.840 -0.611 0.000 0.752 436 L CB -1.339 40.344 42.059 -0.628 0.000 0.891 436 L HN 0.416 nan 8.230 nan 0.000 0.432 437 D N -1.519 118.698 120.400 -0.305 0.000 2.092 437 D HA -0.237 4.833 4.640 0.717 0.000 0.193 437 D C 2.111 178.411 176.300 0.000 0.000 0.994 437 D CA 1.618 55.593 54.000 -0.042 0.000 0.828 437 D CB 0.104 40.980 40.800 0.126 0.000 0.963 437 D HN 0.456 nan 8.370 nan 0.000 0.450 438 S N -1.220 114.432 115.700 -0.079 0.000 2.370 438 S HA -0.234 4.666 4.470 0.717 0.000 0.226 438 S C 2.075 176.572 174.600 -0.171 0.000 1.033 438 S CA 1.312 59.479 58.200 -0.055 0.000 1.011 438 S CB -0.763 62.426 63.200 -0.019 0.000 0.852 438 S HN 0.505 nan 8.310 nan 0.000 0.457 439 Y N 0.392 120.389 120.300 -0.506 0.000 2.114 439 Y HA -0.172 4.793 4.550 0.693 0.000 0.284 439 Y C 1.969 177.751 175.900 -0.197 0.000 1.143 439 Y CA 2.156 59.962 58.100 -0.490 0.000 1.135 439 Y CB -0.471 37.503 38.460 -0.811 0.000 0.980 439 Y HN 0.352 nan 8.280 nan 0.000 0.499 440 W N 1.137 122.236 121.300 -0.336 0.000 2.421 440 W HA -0.140 4.948 4.660 0.712 0.000 0.270 440 W C 1.927 178.316 176.519 -0.215 0.000 1.233 440 W CA 1.212 58.335 57.345 -0.370 0.000 1.226 440 W CB -0.814 28.416 29.460 -0.385 0.000 1.121 440 W HN 0.360 nan 8.180 nan 0.000 0.579 441 Q N -0.741 119.035 119.800 -0.040 0.000 2.403 441 Q HA 0.178 4.948 4.340 0.717 0.000 0.203 441 Q C 1.590 177.213 176.000 -0.629 0.000 0.932 441 Q CA 0.669 56.309 55.803 -0.272 0.000 0.945 441 Q CB -0.121 28.285 28.738 -0.552 0.000 1.045 441 Q HN 0.273 nan 8.270 nan 0.000 0.511 442 G N 0.831 109.232 108.800 -0.664 0.000 2.147 442 G HA2 -0.298 4.092 3.960 0.717 0.000 0.244 442 G HA3 -0.298 4.092 3.960 0.717 0.000 0.244 442 G C 0.056 174.659 174.900 -0.495 0.000 1.005 442 G CA 0.288 44.747 45.100 -1.068 0.000 0.713 442 G HN 0.635 nan 8.290 nan 0.000 0.515 443 H N -0.050 118.841 119.070 -0.299 0.000 2.524 443 H HA 0.241 5.224 4.556 0.711 0.000 0.280 443 H C 0.671 175.946 175.328 -0.089 0.000 1.018 443 H CA 0.027 55.980 56.048 -0.157 0.000 1.165 443 H CB 0.497 30.205 29.762 -0.090 0.000 1.411 443 H HN 0.370 nan 8.280 nan 0.000 0.569 444 E N 0.543 120.751 120.200 0.013 0.000 2.299 444 E HA 0.027 4.807 4.350 0.717 0.000 0.260 444 E C 0.735 177.361 176.600 0.044 0.000 0.944 444 E CA -0.376 56.070 56.400 0.075 0.000 0.815 444 E CB 1.192 30.979 29.700 0.145 0.000 1.252 444 E HN 0.512 nan 8.360 nan 0.000 0.418 445 E N -0.008 120.249 120.200 0.094 0.000 2.478 445 E HA -0.013 4.767 4.350 0.717 0.000 0.198 445 E C 0.788 177.379 176.600 -0.014 0.000 1.046 445 E CA 0.581 57.026 56.400 0.076 0.000 0.870 445 E CB -0.514 29.277 29.700 0.152 0.000 0.818 445 E HN 0.381 nan 8.360 nan 0.000 0.527 446 I N -1.490 119.050 120.570 -0.049 0.000 2.474 446 I HA 0.600 5.200 4.170 0.717 0.000 0.294 446 I C -0.424 175.557 176.117 -0.228 0.000 1.005 446 I CA -1.324 59.807 61.300 -0.283 0.000 1.113 446 I CB 1.809 39.708 38.000 -0.168 0.000 1.289 446 I HN -0.179 nan 8.210 nan 0.000 0.436 447 R N 3.936 124.095 120.500 -0.569 0.000 2.831 447 R HA 0.679 5.449 4.340 0.717 0.000 0.266 447 R C -1.556 174.425 176.300 -0.533 0.000 1.051 447 R CA -0.994 54.797 56.100 -0.515 0.000 0.943 447 R CB 2.323 32.422 30.300 -0.336 0.000 1.228 447 R HN 0.837 nan 8.270 nan 0.000 0.467 448 Q N 0.677 120.308 119.800 -0.283 0.000 2.435 448 Q HA 0.609 5.379 4.340 0.717 0.000 0.282 448 Q C -1.363 174.594 176.000 -0.072 0.000 1.020 448 Q CA -1.028 54.675 55.803 -0.166 0.000 0.820 448 Q CB 2.035 30.743 28.738 -0.049 0.000 1.436 448 Q HN 0.639 nan 8.270 nan 0.000 0.395 449 I N -0.297 120.183 120.570 -0.150 0.000 2.466 449 I HA 0.864 5.464 4.170 0.717 0.000 0.289 449 I C -0.793 175.172 176.117 -0.254 0.000 1.026 449 I CA -0.568 60.556 61.300 -0.293 0.000 1.078 449 I CB 2.027 39.589 38.000 -0.730 0.000 1.249 449 I HN 0.878 nan 8.210 nan 0.000 0.429 450 S N 4.166 120.041 115.700 0.292 0.000 2.656 450 S HA 0.798 5.698 4.470 0.717 0.000 0.273 450 S C -1.022 174.000 174.600 0.704 0.000 1.168 450 S CA -0.912 57.625 58.200 0.562 0.000 0.817 450 S CB 2.276 65.747 63.200 0.452 0.000 1.146 450 S HN 0.814 nan 8.310 nan 0.000 0.475 451 K N 0.801 121.502 120.400 0.502 0.000 2.707 451 K HA 0.614 5.364 4.320 0.717 0.000 0.283 451 K C 0.007 176.724 176.600 0.196 0.000 1.105 451 K CA 0.491 56.964 56.287 0.310 0.000 1.018 451 K CB 0.598 33.207 32.500 0.182 0.000 1.315 451 K HN 0.926 nan 8.250 nan 0.000 0.495 452 S N 1.744 117.535 115.700 0.153 0.000 4.114 452 S HA -0.296 4.604 4.470 0.717 0.000 0.618 452 S C 0.713 175.319 174.600 0.010 0.000 1.937 452 S CA 1.741 59.945 58.200 0.007 0.000 4.228 452 S CB -1.201 61.946 63.200 -0.089 0.000 0.216 452 S HN 0.958 nan 8.310 nan 0.000 0.528 453 D N 1.876 122.192 120.400 -0.140 0.000 2.347 453 D HA 0.173 5.243 4.640 0.717 0.000 0.213 453 D C 0.161 176.596 176.300 0.225 0.000 0.985 453 D CA 0.790 54.812 54.000 0.037 0.000 0.879 453 D CB -0.503 40.283 40.800 -0.024 0.000 0.919 453 D HN 0.452 nan 8.370 nan 0.000 0.526 454 D N 0.119 120.632 120.400 0.188 0.000 2.249 454 D HA 0.557 5.627 4.640 0.717 0.000 0.246 454 D C -0.877 175.655 176.300 0.388 0.000 1.114 454 D CA -0.368 53.772 54.000 0.233 0.000 0.854 454 D CB 1.161 42.029 40.800 0.112 0.000 1.132 454 D HN 0.241 nan 8.370 nan 0.000 0.461 455 A N 3.421 126.410 122.820 0.281 0.000 2.601 455 A HA 0.665 5.415 4.320 0.717 0.000 0.291 455 A C -1.409 176.081 177.584 -0.158 0.000 1.075 455 A CA -0.790 51.276 52.037 0.048 0.000 0.671 455 A CB 1.330 20.222 19.000 -0.181 0.000 1.277 455 A HN 0.508 nan 8.150 nan 0.000 0.417 456 M N 1.740 121.139 119.600 -0.334 0.000 2.204 456 M HA 0.400 5.310 4.480 0.717 0.000 0.293 456 M C -1.476 174.740 176.300 -0.141 0.000 0.994 456 M CA -0.140 55.064 55.300 -0.161 0.000 0.925 456 M CB 1.617 34.152 32.600 -0.108 0.000 1.577 456 M HN 0.563 nan 8.290 nan 0.000 0.439 457 L N 2.553 123.647 121.223 -0.215 0.000 2.289 457 L HA 0.796 5.566 4.340 0.717 0.000 0.285 457 L C 0.563 176.980 176.870 -0.756 0.000 1.049 457 L CA -0.554 53.997 54.840 -0.481 0.000 0.804 457 L CB 1.378 43.213 42.059 -0.374 0.000 1.195 457 L HN 0.796 nan 8.230 nan 0.000 0.428 458 G N 2.157 110.048 108.800 -1.515 0.000 2.511 458 G HA2 0.610 5.000 3.960 0.717 0.000 0.318 458 G HA3 0.610 5.000 3.960 0.717 0.000 0.318 458 G C -1.896 172.166 174.900 -1.397 0.000 1.210 458 G CA -0.349 43.676 45.100 -1.792 0.000 0.969 458 G HN 0.467 nan 8.290 nan 0.000 0.484 459 W N 1.288 122.279 121.300 -0.515 0.000 2.900 459 W HA 0.390 5.117 4.660 0.112 0.000 0.336 459 W C 0.320 176.786 176.519 -0.089 0.000 1.064 459 W CA -0.590 56.619 57.345 -0.226 0.000 1.237 459 W CB 2.150 31.542 29.460 -0.113 0.000 1.391 459 W HN 0.817 nan 8.180 nan 0.000 0.468 460 T N -0.173 114.454 114.554 0.122 0.000 2.849 460 T HA 0.396 5.176 4.350 0.717 0.000 0.276 460 T C 0.347 175.159 174.700 0.186 0.000 0.971 460 T CA -0.742 61.457 62.100 0.166 0.000 0.949 460 T CB 1.409 70.352 68.868 0.125 0.000 1.093 460 T HN 0.055 nan 8.240 nan 0.000 0.545 461 K N 0.946 121.439 120.400 0.155 0.000 2.401 461 K HA 0.562 5.312 4.320 0.717 0.000 0.278 461 K C 0.594 177.265 176.600 0.118 0.000 1.018 461 K CA 0.439 56.804 56.287 0.131 0.000 0.981 461 K CB 0.415 32.976 32.500 0.101 0.000 0.933 461 K HN 1.074 nan 8.250 nan 0.000 0.477 462 G N 1.284 110.151 108.800 0.112 0.000 2.341 462 G HA2 -0.006 4.384 3.960 0.717 0.000 0.293 462 G HA3 -0.006 4.384 3.960 0.717 0.000 0.293 462 G C 0.351 175.298 174.900 0.080 0.000 1.298 462 G CA -0.852 44.303 45.100 0.091 0.000 0.868 462 G HN 0.456 nan 8.290 nan 0.000 0.540 463 R N -0.295 120.218 120.500 0.022 0.000 2.083 463 R HA -0.109 4.661 4.340 0.717 0.000 0.237 463 R C 3.005 179.371 176.300 0.111 0.000 1.137 463 R CA 2.141 58.221 56.100 -0.034 0.000 0.951 463 R CB -0.512 29.579 30.300 -0.347 0.000 0.851 463 R HN 0.639 nan 8.270 nan 0.000 0.434 464 A N 1.289 124.275 122.820 0.276 0.000 2.019 464 A HA -0.153 4.597 4.320 0.717 0.000 0.219 464 A C 2.053 179.765 177.584 0.214 0.000 1.164 464 A CA 0.971 53.228 52.037 0.366 0.000 0.644 464 A CB -0.424 18.876 19.000 0.501 0.000 0.805 464 A HN 0.252 nan 8.150 nan 0.000 0.449 465 L N -0.053 121.285 121.223 0.192 0.000 2.129 465 L HA -0.125 4.645 4.340 0.717 0.000 0.212 465 L C 2.364 179.241 176.870 0.011 0.000 1.087 465 L CA 2.245 57.126 54.840 0.068 0.000 0.757 465 L CB -0.726 41.433 42.059 0.167 0.000 0.896 465 L HN 0.236 nan 8.230 nan 0.000 0.434 466 V N -0.293 119.651 119.914 0.049 0.000 2.515 466 V HA -0.076 4.474 4.120 0.717 0.000 0.250 466 V C 2.347 178.435 176.094 -0.010 0.000 1.058 466 V CA 1.736 64.063 62.300 0.045 0.000 1.064 466 V CB -0.773 31.062 31.823 0.019 0.000 0.675 466 V HN 0.559 nan 8.190 nan 0.000 0.461 467 G N -0.266 108.509 108.800 -0.042 0.000 2.418 467 G HA2 -0.127 4.263 3.960 0.717 0.000 0.217 467 G HA3 -0.127 4.263 3.960 0.717 0.000 0.217 467 G C 1.608 176.355 174.900 -0.256 0.000 1.158 467 G CA 0.794 45.859 45.100 -0.059 0.000 0.771 467 G HN 0.698 nan 8.290 nan 0.000 0.545 468 G N 0.155 108.543 108.800 -0.687 0.000 2.529 468 G HA2 -0.304 4.086 3.960 0.717 0.000 0.219 468 G HA3 -0.304 4.086 3.960 0.717 0.000 0.219 468 G C 1.637 176.058 174.900 -0.798 0.000 1.177 468 G CA 1.208 45.394 45.100 -1.523 0.000 0.773 468 G HN 0.510 nan 8.290 nan 0.000 0.573 469 H N 0.324 119.140 119.070 -0.423 0.000 2.387 469 H HA -0.005 4.980 4.556 0.715 0.000 0.299 469 H C 2.858 178.106 175.328 -0.134 0.000 1.099 469 H CA 1.363 57.283 56.048 -0.212 0.000 1.315 469 H CB 0.008 29.661 29.762 -0.181 0.000 1.380 469 H HN 0.313 nan 8.280 nan 0.000 0.513 470 R N 0.037 120.528 120.500 -0.015 0.000 2.075 470 R HA -0.110 4.660 4.340 0.717 0.000 0.232 470 R C 2.393 178.695 176.300 0.003 0.000 1.126 470 R CA 0.712 56.815 56.100 0.005 0.000 0.963 470 R CB -0.313 29.997 30.300 0.017 0.000 0.858 470 R HN 0.117 nan 8.270 nan 0.000 0.435 471 L N 0.490 121.685 121.223 -0.045 0.000 1.989 471 L HA -0.203 4.567 4.340 0.717 0.000 0.211 471 L C 2.029 178.935 176.870 0.061 0.000 1.071 471 L CA 1.756 56.567 54.840 -0.050 0.000 0.749 471 L CB -0.954 41.058 42.059 -0.077 0.000 0.890 471 L HN 0.050 nan 8.230 nan 0.000 0.431 472 F N 0.859 120.727 119.950 -0.136 0.000 2.120 472 F HA -0.258 4.692 4.527 0.705 0.000 0.300 472 F C 2.540 178.349 175.800 0.015 0.000 1.095 472 F CA 2.035 60.002 58.000 -0.055 0.000 1.249 472 F CB -0.680 38.248 39.000 -0.121 0.000 0.995 472 F HN 0.347 nan 8.300 nan 0.000 0.480 473 E N -0.028 120.281 120.200 0.182 0.000 2.106 473 E HA -0.231 4.549 4.350 0.717 0.000 0.192 473 E C 2.417 179.060 176.600 0.072 0.000 0.984 473 E CA 1.425 57.880 56.400 0.092 0.000 0.806 473 E CB -0.510 29.215 29.700 0.040 0.000 0.750 473 E HN 0.495 nan 8.360 nan 0.000 0.458 474 M N -0.423 119.217 119.600 0.066 0.000 2.117 474 M HA -0.155 4.755 4.480 0.717 0.000 0.262 474 M C 1.730 178.076 176.300 0.077 0.000 1.065 474 M CA 1.344 56.668 55.300 0.040 0.000 1.114 474 M CB -0.030 32.557 32.600 -0.022 0.000 1.361 474 M HN 0.194 nan 8.290 nan 0.000 0.408 475 L N -0.010 121.294 121.223 0.134 0.000 2.056 475 L HA -0.228 4.542 4.340 0.717 0.000 0.207 475 L C 2.581 179.582 176.870 0.218 0.000 1.078 475 L CA 1.447 56.419 54.840 0.221 0.000 0.749 475 L CB -0.761 41.471 42.059 0.289 0.000 0.901 475 L HN 0.338 nan 8.230 nan 0.000 0.433 476 K N 0.679 121.102 120.400 0.038 0.000 2.002 476 K HA -0.213 4.537 4.320 0.717 0.000 0.209 476 K C 1.904 178.488 176.600 -0.026 0.000 1.048 476 K CA 1.734 57.896 56.287 -0.209 0.000 0.930 476 K CB -0.050 32.168 32.500 -0.469 0.000 0.714 476 K HN 0.307 nan 8.250 nan 0.000 0.438 477 E N -0.369 119.825 120.200 -0.010 0.000 2.265 477 E HA -0.091 4.689 4.350 0.717 0.000 0.196 477 E C 0.743 177.379 176.600 0.060 0.000 0.996 477 E CA 0.488 56.896 56.400 0.014 0.000 0.832 477 E CB -0.269 29.438 29.700 0.011 0.000 0.756 477 E HN 0.616 nan 8.360 nan 0.000 0.491 478 G N 1.925 110.787 108.800 0.103 0.000 2.424 478 G HA2 -0.333 4.057 3.960 0.717 0.000 0.290 478 G HA3 -0.333 4.057 3.960 0.717 0.000 0.290 478 G C 0.503 175.449 174.900 0.078 0.000 0.912 478 G CA 1.091 46.263 45.100 0.120 0.000 1.142 478 G HN 0.278 nan 8.290 nan 0.000 0.501 479 K N -1.577 118.859 120.400 0.059 0.000 2.412 479 K HA 0.345 5.095 4.320 0.717 0.000 0.202 479 K C 0.300 176.926 176.600 0.044 0.000 1.102 479 K CA 0.004 56.319 56.287 0.046 0.000 1.027 479 K CB 1.394 33.916 32.500 0.036 0.000 0.931 479 K HN 0.243 nan 8.250 nan 0.000 0.557 480 V N 2.023 121.965 119.914 0.047 0.000 2.577 480 V HA 0.146 4.697 4.120 0.717 0.000 0.303 480 V C -1.115 175.007 176.094 0.046 0.000 1.042 480 V CA -1.192 61.135 62.300 0.045 0.000 0.872 480 V CB 1.730 33.580 31.823 0.046 0.000 0.998 480 V HN 0.169 nan 8.190 nan 0.000 0.423 481 N N 7.322 126.049 118.700 0.045 0.000 2.442 481 N HA 0.279 5.449 4.740 0.717 0.000 0.265 481 N C -1.095 174.450 175.510 0.058 0.000 1.138 481 N CA -1.519 51.560 53.050 0.048 0.000 0.956 481 N CB 1.406 39.911 38.487 0.031 0.000 1.067 481 N HN 0.386 nan 8.380 nan 0.000 0.474 482 P HA -0.007 nan 4.420 nan 0.000 0.242 482 P C -0.470 176.951 177.300 0.203 0.000 1.197 482 P CA 0.388 63.519 63.100 0.051 0.000 0.765 482 P CB 0.387 32.021 31.700 -0.110 0.000 0.936 483 S N 0.460 116.236 115.700 0.127 0.000 2.569 483 S HA 0.514 5.414 4.470 0.717 0.000 0.280 483 S C -2.256 172.328 174.600 -0.026 0.000 1.111 483 S CA -1.682 56.577 58.200 0.098 0.000 0.887 483 S CB 1.946 65.242 63.200 0.160 0.000 1.095 483 S HN -0.166 nan 8.310 nan 0.000 0.476 484 P HA 0.118 nan 4.420 nan 0.000 0.239 484 P C 0.336 177.441 177.300 -0.325 0.000 1.188 484 P CA 0.473 63.364 63.100 -0.349 0.000 0.794 484 P CB 0.115 31.475 31.700 -0.566 0.000 0.937 485 Y N -0.577 119.797 120.300 0.122 0.000 2.230 485 Y HA 0.173 5.150 4.550 0.712 0.000 0.294 485 Y C 1.857 177.781 175.900 0.040 0.000 1.120 485 Y CA 0.759 58.952 58.100 0.155 0.000 1.129 485 Y CB -0.399 38.209 38.460 0.246 0.000 1.040 485 Y HN -0.147 nan 8.280 nan 0.000 0.519 486 M N -0.636 119.049 119.600 0.142 0.000 2.745 486 M HA 0.310 5.220 4.480 0.717 0.000 0.290 486 M C -0.845 175.410 176.300 -0.075 0.000 1.262 486 M CA -0.998 54.285 55.300 -0.028 0.000 0.795 486 M CB 1.570 34.202 32.600 0.053 0.000 1.758 486 M HN -0.192 nan 8.290 nan 0.000 0.461 487 K N 1.621 121.919 120.400 -0.170 0.000 2.266 487 K HA 0.482 5.232 4.320 0.717 0.000 0.274 487 K C -0.849 175.771 176.600 0.033 0.000 1.090 487 K CA -0.367 55.867 56.287 -0.088 0.000 0.925 487 K CB 0.521 32.928 32.500 -0.155 0.000 1.225 487 K HN 0.342 nan 8.250 nan 0.000 0.458 488 I N 1.685 122.307 120.570 0.088 0.000 2.566 488 I HA 0.344 4.944 4.170 0.717 0.000 0.303 488 I C 0.713 176.912 176.117 0.138 0.000 0.983 488 I CA -0.449 60.944 61.300 0.156 0.000 1.235 488 I CB 1.186 39.319 38.000 0.222 0.000 1.386 488 I HN 0.625 nan 8.210 nan 0.000 0.494 489 S N 2.887 118.681 115.700 0.155 0.000 2.636 489 S HA 0.548 5.448 4.470 0.717 0.000 0.266 489 S C -1.123 173.583 174.600 0.178 0.000 1.147 489 S CA -0.966 57.328 58.200 0.156 0.000 0.815 489 S CB 1.326 64.570 63.200 0.073 0.000 1.119 489 S HN 0.505 nan 8.310 nan 0.000 0.470 490 Y N 0.350 120.720 120.300 0.117 0.000 2.320 490 Y HA 0.709 5.689 4.550 0.717 0.000 0.324 490 Y C 0.165 176.146 175.900 0.135 0.000 1.190 490 Y CA -0.861 57.305 58.100 0.109 0.000 1.215 490 Y CB 0.532 39.078 38.460 0.143 0.000 1.221 490 Y HN 0.922 nan 8.280 nan 0.000 0.486 491 E N 3.312 123.560 120.200 0.081 0.000 2.257 491 E HA -0.038 4.742 4.350 0.717 0.000 0.278 491 E C -0.763 175.889 176.600 0.086 0.000 1.049 491 E CA -0.398 56.023 56.400 0.036 0.000 0.876 491 E CB 0.277 30.041 29.700 0.106 0.000 1.035 491 E HN 0.856 nan 8.360 nan 0.000 0.419 492 H N 4.492 123.505 119.070 -0.095 0.000 3.157 492 H HA 0.217 5.203 4.556 0.716 0.000 0.260 492 H C -0.131 175.257 175.328 0.101 0.000 1.232 492 H CA 1.047 57.119 56.048 0.039 0.000 1.488 492 H CB -0.261 29.477 29.762 -0.041 0.000 1.548 492 H HN 0.854 nan 8.280 nan 0.000 0.487 493 G N 3.762 112.523 108.800 -0.066 0.000 3.043 493 G HA2 -0.177 4.213 3.960 0.717 0.000 0.239 493 G HA3 -0.177 4.213 3.960 0.717 0.000 0.239 493 G C 0.410 175.362 174.900 0.086 0.000 1.042 493 G CA -0.398 44.687 45.100 -0.024 0.000 1.189 493 G HN 0.916 nan 8.290 nan 0.000 0.578 494 G N -0.139 108.754 108.800 0.155 0.000 2.272 494 G HA2 0.704 5.094 3.960 0.717 0.000 0.247 494 G HA3 0.704 5.094 3.960 0.717 0.000 0.247 494 G C 0.467 175.467 174.900 0.166 0.000 1.272 494 G CA 0.873 46.083 45.100 0.182 0.000 0.921 494 G HN 1.955 nan 8.290 nan 0.000 0.495 495 A N 2.018 124.947 122.820 0.183 0.000 2.587 495 A HA 0.788 5.538 4.320 0.717 0.000 0.293 495 A C -1.647 176.105 177.584 0.280 0.000 1.087 495 A CA -0.697 51.472 52.037 0.220 0.000 0.692 495 A CB 1.821 20.903 19.000 0.137 0.000 1.291 495 A HN 1.249 nan 8.150 nan 0.000 0.407 496 F N 2.084 122.078 119.950 0.074 0.000 2.579 496 F HA 0.563 5.526 4.527 0.727 0.000 0.325 496 F C -0.112 175.574 175.800 -0.190 0.000 1.162 496 F CA -0.777 57.187 58.000 -0.060 0.000 0.946 496 F CB 1.345 40.295 39.000 -0.084 0.000 1.211 496 F HN 0.499 nan 8.300 nan 0.000 0.447 497 L N 5.961 126.727 121.223 -0.761 0.000 3.608 497 L HA -0.127 4.643 4.340 0.717 0.000 0.422 497 L C 1.089 177.709 176.870 -0.418 0.000 1.260 497 L CA 1.462 55.871 54.840 -0.718 0.000 0.889 497 L CB -1.564 39.845 42.059 -1.083 0.000 1.821 497 L HN 1.353 nan 8.230 nan 0.000 0.884 498 G N -1.886 106.776 108.800 -0.231 0.000 2.225 498 G HA2 -0.234 4.156 3.960 0.717 0.000 0.254 498 G HA3 -0.234 4.156 3.960 0.717 0.000 0.254 498 G C 0.221 175.068 174.900 -0.088 0.000 0.988 498 G CA 0.298 45.319 45.100 -0.133 0.000 0.625 498 G HN 0.492 nan 8.290 nan 0.000 0.527 499 D N 0.699 121.031 120.400 -0.114 0.000 2.193 499 D HA 0.514 5.585 4.640 0.717 0.000 0.244 499 D C 0.700 177.114 176.300 0.191 0.000 1.064 499 D CA -0.353 53.642 54.000 -0.009 0.000 0.845 499 D CB 1.439 42.152 40.800 -0.145 0.000 1.148 499 D HN 0.250 nan 8.370 nan 0.000 0.464 500 I N 2.051 122.735 120.570 0.191 0.000 2.474 500 I HA 0.022 4.622 4.170 0.717 0.000 0.287 500 I C 0.149 176.370 176.117 0.174 0.000 1.048 500 I CA -0.677 60.727 61.300 0.175 0.000 1.383 500 I CB 1.078 39.131 38.000 0.088 0.000 1.412 500 I HN 0.079 nan 8.210 nan 0.000 0.531 501 L N 7.972 129.195 121.223 -0.001 0.000 2.261 501 L HA 0.309 5.079 4.340 0.717 0.000 0.289 501 L C -0.707 175.922 176.870 -0.401 0.000 1.059 501 L CA -0.269 54.275 54.840 -0.493 0.000 0.816 501 L CB 0.841 42.525 42.059 -0.626 0.000 1.191 501 L HN 0.389 nan 8.230 nan 0.000 0.431 502 L N 6.685 127.683 121.223 -0.375 0.000 2.259 502 L HA 0.425 5.195 4.340 0.717 0.000 0.288 502 L C -0.921 175.812 176.870 -0.228 0.000 1.051 502 L CA 0.061 54.783 54.840 -0.197 0.000 0.824 502 L CB 0.187 42.200 42.059 -0.077 0.000 1.206 502 L HN 0.474 nan 8.230 nan 0.000 0.429 503 Y N 2.666 122.988 120.300 0.036 0.000 2.326 503 Y HA 0.388 5.365 4.550 0.712 0.000 0.324 503 Y C 0.619 176.576 175.900 0.095 0.000 1.291 503 Y CA -0.446 57.686 58.100 0.054 0.000 1.348 503 Y CB 0.827 39.339 38.460 0.086 0.000 1.294 503 Y HN 0.725 nan 8.280 nan 0.000 0.525 504 D N -1.677 118.868 120.400 0.242 0.000 2.577 504 D HA 0.160 5.230 4.640 0.717 0.000 0.248 504 D C 1.089 177.454 176.300 0.109 0.000 1.181 504 D CA 0.024 54.119 54.000 0.157 0.000 1.083 504 D CB -0.436 40.424 40.800 0.100 0.000 1.198 504 D HN 0.382 nan 8.370 nan 0.000 0.626 505 S N -1.039 114.692 115.700 0.052 0.000 2.383 505 S HA -0.147 4.753 4.470 0.717 0.000 0.227 505 S C 1.791 176.384 174.600 -0.012 0.000 1.026 505 S CA 0.419 58.615 58.200 -0.006 0.000 0.981 505 S CB -0.378 62.818 63.200 -0.007 0.000 0.818 505 S HN 0.286 nan 8.310 nan 0.000 0.472 506 R N 1.218 121.731 120.500 0.021 0.000 2.083 506 R HA 0.069 4.839 4.340 0.717 0.000 0.237 506 R C 0.372 176.671 176.300 -0.002 0.000 1.137 506 R CA 0.848 56.957 56.100 0.016 0.000 0.951 506 R CB -0.885 29.442 30.300 0.045 0.000 0.851 506 R HN 0.410 nan 8.270 nan 0.000 0.434 507 R N 0.909 121.432 120.500 0.038 0.000 3.322 507 R HA -0.124 4.646 4.340 0.717 0.000 0.266 507 R C -0.972 175.292 176.300 -0.061 0.000 1.072 507 R CA 0.618 56.674 56.100 -0.074 0.000 0.715 507 R CB -2.254 27.923 30.300 -0.205 0.000 1.199 507 R HN 0.533 nan 8.270 nan 0.000 0.421 508 E N -0.791 119.526 120.200 0.195 0.000 2.340 508 E HA 0.280 5.060 4.350 0.717 0.000 0.273 508 E C -2.077 174.730 176.600 0.344 0.000 0.891 508 E CA -2.242 54.292 56.400 0.224 0.000 0.757 508 E CB 1.814 31.595 29.700 0.135 0.000 1.231 508 E HN -0.268 nan 8.360 nan 0.000 0.439 509 P HA -0.211 nan 4.420 nan 0.000 0.217 509 P C 1.220 178.543 177.300 0.039 0.000 1.148 509 P CA 1.530 64.739 63.100 0.182 0.000 0.834 509 P CB 0.181 32.026 31.700 0.242 0.000 0.783 510 G N -0.593 108.255 108.800 0.079 0.000 2.403 510 G HA2 -0.166 4.224 3.960 0.717 0.000 0.216 510 G HA3 -0.166 4.224 3.960 0.717 0.000 0.216 510 G C 1.260 176.168 174.900 0.015 0.000 1.154 510 G CA 0.874 45.995 45.100 0.036 0.000 0.784 510 G HN 0.421 nan 8.290 nan 0.000 0.538 511 S N -0.213 115.512 115.700 0.042 0.000 2.679 511 S HA 0.706 5.606 4.470 0.717 0.000 0.233 511 S C 0.590 175.194 174.600 0.007 0.000 0.951 511 S CA 0.131 58.351 58.200 0.033 0.000 0.973 511 S CB 0.278 63.514 63.200 0.061 0.000 0.778 511 S HN 0.536 nan 8.310 nan 0.000 0.477 512 A N 1.648 124.427 122.820 -0.069 0.000 2.322 512 A HA 0.922 5.672 4.320 0.717 0.000 0.327 512 A C -0.295 177.138 177.584 -0.251 0.000 1.134 512 A CA -1.177 50.731 52.037 -0.216 0.000 0.831 512 A CB 0.891 19.606 19.000 -0.474 0.000 1.288 512 A HN 0.889 nan 8.150 nan 0.000 0.472 513 I N -3.080 117.310 120.570 -0.301 0.000 2.894 513 I HA 0.643 5.243 4.170 0.717 0.000 0.302 513 I C -1.432 174.515 176.117 -0.282 0.000 1.188 513 I CA -0.764 60.399 61.300 -0.228 0.000 1.014 513 I CB 2.042 39.988 38.000 -0.090 0.000 1.242 513 I HN 0.482 nan 8.210 nan 0.000 0.430 514 F N 3.877 123.758 119.950 -0.114 0.000 2.404 514 F HA 0.652 5.607 4.527 0.714 0.000 0.345 514 F C 0.349 176.103 175.800 -0.078 0.000 1.110 514 F CA -0.535 57.405 58.000 -0.100 0.000 1.130 514 F CB 1.930 40.872 39.000 -0.097 0.000 1.129 514 F HN 0.432 nan 8.300 nan 0.000 0.500 515 V N 0.978 120.986 119.914 0.157 0.000 3.040 515 V HA 0.897 5.447 4.120 0.717 0.000 0.312 515 V C 0.042 176.173 176.094 0.061 0.000 1.115 515 V CA -0.977 61.364 62.300 0.068 0.000 0.998 515 V CB 1.100 32.949 31.823 0.043 0.000 1.042 515 V HN 0.802 nan 8.190 nan 0.000 0.433 516 G N 0.979 109.783 108.800 0.007 0.000 2.636 516 G HA2 0.227 4.617 3.960 0.717 0.000 0.246 516 G HA3 0.227 4.617 3.960 0.717 0.000 0.246 516 G C -0.146 174.827 174.900 0.123 0.000 1.216 516 G CA -0.351 44.745 45.100 -0.006 0.000 0.854 516 G HN 0.975 nan 8.290 nan 0.000 0.572 517 N N 0.529 119.327 118.700 0.163 0.000 2.408 517 N HA 0.052 5.222 4.740 0.717 0.000 0.257 517 N C 1.170 176.846 175.510 0.276 0.000 1.064 517 N CA -0.675 52.481 53.050 0.176 0.000 0.952 517 N CB 1.209 39.772 38.487 0.127 0.000 1.093 517 N HN 0.238 nan 8.380 nan 0.000 0.490 518 I N 4.557 125.248 120.570 0.202 0.000 2.286 518 I HA -0.173 4.427 4.170 0.717 0.000 0.248 518 I C 1.705 177.899 176.117 0.130 0.000 1.115 518 I CA 1.196 62.602 61.300 0.177 0.000 1.392 518 I CB -0.442 37.664 38.000 0.177 0.000 1.065 518 I HN 0.638 nan 8.210 nan 0.000 0.418 519 N N -0.381 118.381 118.700 0.102 0.000 2.149 519 N HA -0.172 4.998 4.740 0.717 0.000 0.188 519 N C 1.926 177.497 175.510 0.102 0.000 1.019 519 N CA 1.587 54.682 53.050 0.075 0.000 0.857 519 N CB -0.059 38.381 38.487 -0.078 0.000 0.997 519 N HN 0.302 nan 8.380 nan 0.000 0.426 520 S N -0.103 115.672 115.700 0.124 0.000 2.399 520 S HA -0.136 4.764 4.470 0.717 0.000 0.231 520 S C 1.818 176.479 174.600 0.102 0.000 1.022 520 S CA 0.849 59.146 58.200 0.163 0.000 0.983 520 S CB -0.222 63.130 63.200 0.253 0.000 0.803 520 S HN 0.423 nan 8.310 nan 0.000 0.480 521 M N 1.035 120.536 119.600 -0.164 0.000 2.067 521 M HA -0.093 4.817 4.480 0.717 0.000 0.260 521 M C 1.838 178.065 176.300 -0.122 0.000 1.069 521 M CA 1.519 56.455 55.300 -0.606 0.000 1.117 521 M CB -0.307 31.585 32.600 -1.179 0.000 1.334 521 M HN 0.275 nan 8.290 nan 0.000 0.407 522 L N 0.464 121.714 121.223 0.047 0.000 1.989 522 L HA -0.308 4.462 4.340 0.717 0.000 0.211 522 L C 2.269 179.287 176.870 0.247 0.000 1.071 522 L CA 1.372 56.364 54.840 0.252 0.000 0.749 522 L CB -1.162 41.103 42.059 0.344 0.000 0.890 522 L HN 0.382 nan 8.230 nan 0.000 0.431 523 N N 0.413 119.227 118.700 0.190 0.000 2.036 523 N HA -0.221 4.949 4.740 0.717 0.000 0.195 523 N C 1.547 177.149 175.510 0.153 0.000 1.037 523 N CA 1.795 54.953 53.050 0.180 0.000 0.855 523 N CB -0.722 37.846 38.487 0.135 0.000 1.033 523 N HN 0.465 nan 8.380 nan 0.000 0.423 524 N N 0.711 119.483 118.700 0.120 0.000 2.084 524 N HA -0.138 5.032 4.740 0.717 0.000 0.190 524 N C 1.644 177.194 175.510 0.068 0.000 1.030 524 N CA 0.879 53.997 53.050 0.114 0.000 0.849 524 N CB -0.124 38.455 38.487 0.153 0.000 1.012 524 N HN 0.406 nan 8.380 nan 0.000 0.423 525 Q N -0.603 119.172 119.800 -0.043 0.000 2.230 525 Q HA -0.040 4.731 4.340 0.717 0.000 0.202 525 Q C 0.662 176.425 176.000 -0.396 0.000 0.963 525 Q CA 1.043 56.698 55.803 -0.247 0.000 0.866 525 Q CB 0.187 28.588 28.738 -0.561 0.000 0.931 525 Q HN 0.458 nan 8.270 nan 0.000 0.452 526 F N -2.181 118.032 119.950 0.438 0.000 2.767 526 F HA 0.252 5.209 4.527 0.717 0.000 0.323 526 F C 0.648 176.709 175.800 0.434 0.000 1.091 526 F CA -0.285 58.053 58.000 0.564 0.000 1.192 526 F CB 1.252 40.580 39.000 0.547 0.000 1.056 526 F HN -0.316 nan 8.300 nan 0.000 0.571 527 S N 1.754 117.675 115.700 0.368 0.000 2.474 527 S HA 0.230 5.130 4.470 0.717 0.000 0.224 527 S C -2.532 172.161 174.600 0.155 0.000 1.209 527 S CA -1.013 57.353 58.200 0.277 0.000 1.212 527 S CB 0.188 63.543 63.200 0.258 0.000 1.137 527 S HN -0.128 nan 8.310 nan 0.000 0.446 528 P HA 0.105 nan 4.420 nan 0.000 0.268 528 P C 0.229 177.546 177.300 0.029 0.000 1.208 528 P CA 0.076 63.209 63.100 0.055 0.000 0.777 528 P CB 0.940 32.630 31.700 -0.017 0.000 0.875 529 E N 0.329 120.538 120.200 0.014 0.000 2.358 529 E HA -0.052 4.728 4.350 0.717 0.000 0.195 529 E C -0.199 176.152 176.600 -0.415 0.000 1.010 529 E CA 0.954 57.245 56.400 -0.182 0.000 0.856 529 E CB -0.077 29.500 29.700 -0.206 0.000 0.795 529 E HN 0.507 nan 8.360 nan 0.000 0.504 530 Y N -1.453 118.833 120.300 -0.023 0.000 2.615 530 Y HA 0.491 5.471 4.550 0.716 0.000 0.341 530 Y C 0.696 176.561 175.900 -0.059 0.000 1.089 530 Y CA -1.165 56.910 58.100 -0.041 0.000 1.049 530 Y CB 1.067 39.504 38.460 -0.038 0.000 1.296 530 Y HN -0.177 nan 8.280 nan 0.000 0.470 531 G N -0.076 108.783 108.800 0.099 0.000 2.535 531 G HA2 0.393 4.783 3.960 0.717 0.000 0.282 531 G HA3 0.393 4.783 3.960 0.717 0.000 0.282 531 G C 0.561 175.459 174.900 -0.005 0.000 1.350 531 G CA -0.160 44.946 45.100 0.010 0.000 1.039 531 G HN 0.841 nan 8.290 nan 0.000 0.509 532 V N -3.129 116.764 119.914 -0.035 0.000 3.573 532 V HA 0.154 4.704 4.120 0.717 0.000 0.270 532 V C 0.878 176.938 176.094 -0.057 0.000 1.221 532 V CA 0.810 63.082 62.300 -0.046 0.000 1.163 532 V CB -1.376 30.430 31.823 -0.029 0.000 0.847 532 V HN 0.731 nan 8.190 nan 0.000 0.468 533 Q N 1.483 121.257 119.800 -0.043 0.000 2.395 533 Q HA -0.255 4.515 4.340 0.717 0.000 0.326 533 Q C 1.499 177.467 176.000 -0.054 0.000 1.302 533 Q CA 0.699 56.473 55.803 -0.048 0.000 0.949 533 Q CB -1.823 26.876 28.738 -0.065 0.000 1.204 533 Q HN 1.003 nan 8.270 nan 0.000 0.444 534 S N -2.370 113.305 115.700 -0.041 0.000 2.493 534 S HA -0.150 4.750 4.470 0.717 0.000 0.243 534 S C 1.761 176.344 174.600 -0.029 0.000 0.991 534 S CA 0.712 58.890 58.200 -0.036 0.000 0.957 534 S CB -0.010 63.178 63.200 -0.020 0.000 0.756 534 S HN 0.693 nan 8.310 nan 0.000 0.521 535 G N 1.165 109.948 108.800 -0.028 0.000 2.464 535 G HA2 0.109 4.499 3.960 0.717 0.000 0.217 535 G HA3 0.109 4.499 3.960 0.717 0.000 0.217 535 G C 0.415 175.301 174.900 -0.024 0.000 1.138 535 G CA 0.073 45.160 45.100 -0.022 0.000 0.793 535 G HN 0.466 nan 8.290 nan 0.000 0.539 536 V N 2.511 122.404 119.914 -0.035 0.000 2.415 536 V HA 0.153 4.703 4.120 0.717 0.000 0.267 536 V C 1.401 177.479 176.094 -0.027 0.000 1.042 536 V CA -0.609 61.669 62.300 -0.036 0.000 1.000 536 V CB 1.111 32.901 31.823 -0.056 0.000 1.015 536 V HN 0.195 nan 8.190 nan 0.000 0.478 537 R N 2.194 122.690 120.500 -0.005 0.000 2.081 537 R HA -0.061 4.709 4.340 0.717 0.000 0.235 537 R C 0.868 177.205 176.300 0.060 0.000 1.131 537 R CA 0.760 56.872 56.100 0.021 0.000 0.960 537 R CB -0.338 29.973 30.300 0.019 0.000 0.856 537 R HN 0.733 nan 8.270 nan 0.000 0.436 538 D N 1.073 121.505 120.400 0.053 0.000 2.374 538 D HA 0.053 5.123 4.640 0.717 0.000 0.240 538 D C 0.693 177.001 176.300 0.012 0.000 1.229 538 D CA -0.015 54.057 54.000 0.119 0.000 0.895 538 D CB 0.507 41.358 40.800 0.086 0.000 1.046 538 D HN -0.020 nan 8.370 nan 0.000 0.498 539 R N 1.274 121.732 120.500 -0.070 0.000 2.152 539 R HA -0.122 4.648 4.340 0.717 0.000 0.232 539 R C 2.109 178.138 176.300 -0.452 0.000 1.117 539 R CA 1.310 57.139 56.100 -0.451 0.000 0.981 539 R CB -0.043 29.704 30.300 -0.920 0.000 0.870 539 R HN 0.422 nan 8.270 nan 0.000 0.451 540 S N 0.598 116.143 115.700 -0.257 0.000 2.474 540 S HA -0.078 4.822 4.470 0.717 0.000 0.235 540 S C 1.586 176.129 174.600 -0.096 0.000 0.997 540 S CA 0.842 58.969 58.200 -0.121 0.000 0.949 540 S CB 0.069 63.317 63.200 0.080 0.000 0.766 540 S HN 0.257 nan 8.310 nan 0.000 0.517 541 K N 0.414 120.758 120.400 -0.093 0.000 2.379 541 K HA 0.208 4.958 4.320 0.717 0.000 0.194 541 K C 0.615 177.137 176.600 -0.130 0.000 1.031 541 K CA -0.099 56.135 56.287 -0.088 0.000 1.037 541 K CB 0.244 32.711 32.500 -0.054 0.000 0.824 541 K HN 0.368 nan 8.250 nan 0.000 0.516 542 R N 1.014 121.410 120.500 -0.174 0.000 2.679 542 R HA 0.101 4.871 4.340 0.717 0.000 0.269 542 R C 1.048 177.213 176.300 -0.224 0.000 1.076 542 R CA -0.204 55.779 56.100 -0.195 0.000 1.160 542 R CB 0.426 30.592 30.300 -0.224 0.000 1.054 542 R HN -0.132 nan 8.270 nan 0.000 0.507 543 K N 1.679 121.918 120.400 -0.270 0.000 2.288 543 K HA -0.067 4.683 4.320 0.717 0.000 0.201 543 K C 0.352 176.810 176.600 -0.236 0.000 1.048 543 K CA 1.169 57.229 56.287 -0.379 0.000 0.956 543 K CB 0.165 32.192 32.500 -0.789 0.000 0.746 543 K HN 0.410 nan 8.250 nan 0.000 0.461 544 R N 0.210 120.600 120.500 -0.184 0.000 2.639 544 R HA 0.161 4.931 4.340 0.717 0.000 0.273 544 R C -2.251 173.915 176.300 -0.223 0.000 1.732 544 R CA -1.349 54.674 56.100 -0.129 0.000 1.586 544 R CB 1.139 31.403 30.300 -0.060 0.000 1.263 544 R HN -0.127 nan 8.270 nan 0.000 0.615 545 P HA -0.192 nan 4.420 nan 0.000 0.216 545 P C -0.212 176.440 177.300 -1.079 0.000 1.167 545 P CA 1.528 64.180 63.100 -0.745 0.000 0.914 545 P CB 0.200 31.532 31.700 -0.614 0.000 0.793 546 F N -3.803 116.087 119.950 -0.100 0.000 2.622 546 F HA 0.361 5.317 4.527 0.716 0.000 0.338 546 F C -1.861 173.925 175.800 -0.023 0.000 1.334 546 F CA -2.123 55.832 58.000 -0.075 0.000 1.179 546 F CB 0.882 39.828 39.000 -0.089 0.000 1.471 546 F HN -0.080 nan 8.300 nan 0.000 0.576 547 P HA -0.194 nan 4.420 nan 0.000 0.216 547 P C 1.940 179.317 177.300 0.128 0.000 1.154 547 P CA 1.854 65.029 63.100 0.125 0.000 0.865 547 P CB 0.256 32.045 31.700 0.147 0.000 0.789 548 G N -0.603 108.232 108.800 0.059 0.000 2.470 548 G HA2 -0.207 4.183 3.960 0.717 0.000 0.220 548 G HA3 -0.207 4.183 3.960 0.717 0.000 0.220 548 G C 1.398 176.331 174.900 0.056 0.000 1.121 548 G CA 0.353 45.438 45.100 -0.025 0.000 0.766 548 G HN 0.245 nan 8.290 nan 0.000 0.553 549 L N 0.552 121.834 121.223 0.098 0.000 2.131 549 L HA -0.055 4.715 4.340 0.717 0.000 0.210 549 L C 3.296 180.237 176.870 0.119 0.000 1.092 549 L CA 0.806 55.700 54.840 0.090 0.000 0.759 549 L CB -0.482 41.617 42.059 0.066 0.000 0.903 549 L HN 0.290 nan 8.230 nan 0.000 0.435 550 A N -0.364 122.547 122.820 0.152 0.000 2.076 550 A HA -0.264 4.486 4.320 0.717 0.000 0.220 550 A C 2.153 179.864 177.584 0.211 0.000 1.160 550 A CA 1.210 53.353 52.037 0.176 0.000 0.653 550 A CB -0.907 18.218 19.000 0.207 0.000 0.801 550 A HN 0.712 nan 8.150 nan 0.000 0.455 551 W N 0.381 121.679 121.300 -0.004 0.000 2.388 551 W HA -0.143 4.947 4.660 0.717 0.000 0.294 551 W C 2.263 178.787 176.519 0.008 0.000 1.212 551 W CA 1.426 58.758 57.345 -0.022 0.000 1.271 551 W CB -0.114 29.276 29.460 -0.116 0.000 1.126 551 W HN 0.444 nan 8.180 nan 0.000 0.535 552 A N 0.494 123.364 122.820 0.083 0.000 1.933 552 A HA -0.220 4.530 4.320 0.717 0.000 0.218 552 A C 1.941 179.486 177.584 -0.064 0.000 1.175 552 A CA 2.281 54.308 52.037 -0.017 0.000 0.628 552 A CB -1.114 17.894 19.000 0.013 0.000 0.814 552 A HN 0.326 nan 8.150 nan 0.000 0.444 553 S N -1.176 114.507 115.700 -0.029 0.000 2.558 553 S HA 0.064 4.964 4.470 0.717 0.000 0.217 553 S C 1.773 176.356 174.600 -0.029 0.000 0.975 553 S CA 0.769 58.944 58.200 -0.042 0.000 0.912 553 S CB -0.444 62.739 63.200 -0.028 0.000 0.776 553 S HN 0.564 nan 8.310 nan 0.000 0.526 554 M N 1.878 121.466 119.600 -0.019 0.000 2.082 554 M HA -0.202 4.708 4.480 0.717 0.000 0.258 554 M C 2.204 178.528 176.300 0.041 0.000 1.071 554 M CA 2.223 57.569 55.300 0.077 0.000 1.103 554 M CB -0.265 32.283 32.600 -0.086 0.000 1.307 554 M HN 0.287 nan 8.290 nan 0.000 0.409 555 K N 0.843 121.208 120.400 -0.059 0.000 2.074 555 K HA -0.241 4.509 4.320 0.717 0.000 0.209 555 K C 1.743 178.221 176.600 -0.203 0.000 1.048 555 K CA 2.362 58.590 56.287 -0.099 0.000 0.926 555 K CB -0.814 31.660 32.500 -0.044 0.000 0.713 555 K HN 0.589 nan 8.250 nan 0.000 0.444 556 D N -1.079 119.236 120.400 -0.141 0.000 2.084 556 D HA -0.119 4.951 4.640 0.717 0.000 0.196 556 D C 1.358 177.542 176.300 -0.193 0.000 0.985 556 D CA 1.730 55.641 54.000 -0.147 0.000 0.826 556 D CB -0.005 40.725 40.800 -0.118 0.000 0.978 556 D HN 0.280 nan 8.370 nan 0.000 0.456 557 T N -0.825 113.599 114.554 -0.217 0.000 2.746 557 T HA -0.151 4.629 4.350 0.717 0.000 0.267 557 T C 1.151 175.490 174.700 -0.603 0.000 1.039 557 T CA 1.215 63.065 62.100 -0.417 0.000 1.142 557 T CB -0.188 68.356 68.868 -0.540 0.000 0.866 557 T HN 0.292 nan 8.240 nan 0.000 0.444 558 Y N -0.420 119.753 120.300 -0.211 0.000 2.500 558 Y HA 0.422 5.402 4.550 0.717 0.000 0.246 558 Y C 2.327 177.841 175.900 -0.643 0.000 1.146 558 Y CA -0.658 57.275 58.100 -0.279 0.000 1.230 558 Y CB -0.347 38.050 38.460 -0.104 0.000 1.214 558 Y HN 0.165 nan 8.280 nan 0.000 0.526 559 G N 1.026 109.381 108.800 -0.741 0.000 2.505 559 G HA2 -0.359 4.031 3.960 0.717 0.000 0.220 559 G HA3 -0.359 4.031 3.960 0.717 0.000 0.220 559 G C 1.880 176.554 174.900 -0.377 0.000 1.145 559 G CA 1.280 45.835 45.100 -0.908 0.000 0.761 559 G HN 0.446 nan 8.290 nan 0.000 0.571 560 A N -0.740 121.954 122.820 -0.210 0.000 2.070 560 A HA 0.026 4.776 4.320 0.717 0.000 0.220 560 A C 1.621 179.193 177.584 -0.021 0.000 1.159 560 A CA 0.782 52.771 52.037 -0.081 0.000 0.656 560 A CB -0.847 18.117 19.000 -0.060 0.000 0.800 560 A HN 0.442 nan 8.150 nan 0.000 0.453 561 C N 0.473 119.765 119.300 -0.012 0.000 2.596 561 C HA 0.224 5.114 4.460 0.717 0.000 0.414 561 C C -0.457 174.593 174.990 0.100 0.000 1.396 561 C CA -0.900 58.161 59.018 0.072 0.000 1.698 561 C CB 0.254 28.078 27.740 0.139 0.000 2.572 561 C HN 0.440 nan 8.230 nan 0.000 0.604 562 P HA -0.141 nan 4.420 nan 0.000 0.217 562 P C 0.674 178.046 177.300 0.119 0.000 1.151 562 P CA 1.732 64.894 63.100 0.104 0.000 0.849 562 P CB -0.057 31.702 31.700 0.099 0.000 0.787 563 I N -6.419 114.203 120.570 0.087 0.000 3.856 563 I HA 0.213 4.813 4.170 0.717 0.000 0.333 563 I C 1.699 177.835 176.117 0.031 0.000 1.525 563 I CA -0.576 60.727 61.300 0.006 0.000 1.173 563 I CB -0.734 37.090 38.000 -0.292 0.000 1.175 563 I HN -0.131 nan 8.210 nan 0.000 0.424 564 Y N 2.314 122.609 120.300 -0.009 0.000 1.979 564 Y HA -0.385 4.595 4.550 0.717 0.000 0.262 564 Y C 2.722 178.626 175.900 0.006 0.000 1.142 564 Y CA 2.481 60.585 58.100 0.008 0.000 1.096 564 Y CB -0.124 38.359 38.460 0.039 0.000 0.958 564 Y HN 0.317 nan 8.280 nan 0.000 0.484 565 S N 0.601 116.290 115.700 -0.018 0.000 2.381 565 S HA -0.319 4.581 4.470 0.717 0.000 0.230 565 S C 1.274 175.832 174.600 -0.069 0.000 1.052 565 S CA 1.914 60.045 58.200 -0.115 0.000 1.068 565 S CB -0.810 62.407 63.200 0.029 0.000 0.918 565 S HN 0.608 nan 8.310 nan 0.000 0.448 566 D N 0.873 121.271 120.400 -0.003 0.000 2.104 566 D HA -0.075 4.995 4.640 0.717 0.000 0.194 566 D C 1.993 178.277 176.300 -0.027 0.000 0.994 566 D CA 0.976 55.002 54.000 0.043 0.000 0.830 566 D CB -0.578 40.289 40.800 0.112 0.000 0.959 566 D HN 0.197 nan 8.370 nan 0.000 0.452 567 V N 0.636 120.467 119.914 -0.139 0.000 2.255 567 V HA -0.236 4.314 4.120 0.717 0.000 0.247 567 V C 2.487 178.559 176.094 -0.037 0.000 1.051 567 V CA 1.340 63.569 62.300 -0.119 0.000 1.018 567 V CB -0.566 31.189 31.823 -0.114 0.000 0.641 567 V HN 0.241 nan 8.190 nan 0.000 0.445 568 L N -0.460 120.708 121.223 -0.093 0.000 2.043 568 L HA -0.269 4.501 4.340 0.717 0.000 0.212 568 L C 2.606 179.513 176.870 0.062 0.000 1.075 568 L CA 1.917 56.745 54.840 -0.021 0.000 0.752 568 L CB -0.594 41.349 42.059 -0.193 0.000 0.891 568 L HN 0.421 nan 8.230 nan 0.000 0.432 569 E N -0.344 119.870 120.200 0.024 0.000 2.047 569 E HA -0.221 4.559 4.350 0.717 0.000 0.191 569 E C 2.300 178.926 176.600 0.044 0.000 0.987 569 E CA 1.082 57.514 56.400 0.053 0.000 0.799 569 E CB -0.143 29.584 29.700 0.045 0.000 0.752 569 E HN 0.512 nan 8.360 nan 0.000 0.449 570 A N 1.303 124.130 122.820 0.012 0.000 1.883 570 A HA -0.210 4.540 4.320 0.717 0.000 0.217 570 A C 2.155 179.734 177.584 -0.008 0.000 1.186 570 A CA 1.213 53.198 52.037 -0.086 0.000 0.624 570 A CB -0.660 18.314 19.000 -0.043 0.000 0.822 570 A HN 0.154 nan 8.150 nan 0.000 0.444 571 I N -0.926 119.696 120.570 0.086 0.000 2.099 571 I HA -0.276 4.324 4.170 0.717 0.000 0.239 571 I C 2.602 178.904 176.117 0.309 0.000 1.066 571 I CA 1.924 63.352 61.300 0.214 0.000 1.324 571 I CB -0.439 37.681 38.000 0.199 0.000 1.037 571 I HN 0.400 nan 8.210 nan 0.000 0.401 572 E N 1.202 121.564 120.200 0.270 0.000 2.136 572 E HA -0.302 4.478 4.350 0.717 0.000 0.202 572 E C 2.161 179.006 176.600 0.408 0.000 1.019 572 E CA 1.805 58.411 56.400 0.345 0.000 0.819 572 E CB -0.216 29.646 29.700 0.271 0.000 0.739 572 E HN 0.228 nan 8.360 nan 0.000 0.458 573 R N -0.768 119.885 120.500 0.255 0.000 2.075 573 R HA -0.107 4.663 4.340 0.717 0.000 0.230 573 R C 2.473 178.940 176.300 0.279 0.000 1.140 573 R CA 1.898 58.120 56.100 0.203 0.000 0.928 573 R CB -0.786 29.521 30.300 0.011 0.000 0.834 573 R HN 0.346 nan 8.270 nan 0.000 0.429 574 C N -0.171 119.267 119.300 0.230 0.000 2.411 574 C HA -0.117 4.773 4.460 0.717 0.000 0.279 574 C C 2.328 177.627 174.990 0.515 0.000 1.288 574 C CA 0.108 59.296 59.018 0.282 0.000 1.764 574 C CB -1.361 26.463 27.740 0.140 0.000 1.974 574 C HN 0.689 nan 8.230 nan 0.000 0.498 575 W N -0.525 120.990 121.300 0.358 0.000 2.436 575 W HA -0.075 5.015 4.660 0.717 0.000 0.284 575 W C 2.158 178.772 176.519 0.159 0.000 1.225 575 W CA 0.810 58.228 57.345 0.121 0.000 1.271 575 W CB -0.633 28.762 29.460 -0.108 0.000 1.114 575 W HN 0.464 nan 8.180 nan 0.000 0.559 576 W N 1.691 123.190 121.300 0.330 0.000 2.354 576 W HA -0.229 4.861 4.660 0.716 0.000 0.315 576 W C 2.367 178.932 176.519 0.077 0.000 1.206 576 W CA 2.023 59.490 57.345 0.202 0.000 1.290 576 W CB -0.827 28.724 29.460 0.152 0.000 1.152 576 W HN -0.219 nan 8.180 nan 0.000 0.489 577 N N -0.022 118.858 118.700 0.300 0.000 2.137 577 N HA -0.189 4.981 4.740 0.717 0.000 0.190 577 N C 1.551 177.030 175.510 -0.051 0.000 1.017 577 N CA 1.962 55.091 53.050 0.133 0.000 0.859 577 N CB -1.010 37.531 38.487 0.090 0.000 1.002 577 N HN 0.211 nan 8.380 nan 0.000 0.428 578 A N -0.519 122.204 122.820 -0.162 0.000 1.975 578 A HA 0.141 4.891 4.320 0.717 0.000 0.215 578 A C 1.316 178.360 177.584 -0.899 0.000 1.170 578 A CA 0.656 52.371 52.037 -0.537 0.000 0.656 578 A CB -0.137 18.476 19.000 -0.645 0.000 0.821 578 A HN 0.218 nan 8.150 nan 0.000 0.449 579 F N -1.699 117.947 119.950 -0.506 0.000 2.784 579 F HA 0.383 5.340 4.527 0.717 0.000 0.323 579 F C 1.574 177.095 175.800 -0.464 0.000 1.085 579 F CA 0.278 57.967 58.000 -0.518 0.000 1.196 579 F CB 0.441 39.002 39.000 -0.732 0.000 1.053 579 F HN 0.277 nan 8.300 nan 0.000 0.578 580 G N 1.534 110.083 108.800 -0.419 0.000 2.246 580 G HA2 -0.223 4.167 3.960 0.717 0.000 0.273 580 G HA3 -0.223 4.167 3.960 0.717 0.000 0.273 580 G C -0.230 173.984 174.900 -1.144 0.000 1.055 580 G CA 0.212 44.854 45.100 -0.764 0.000 0.851 580 G HN 0.366 nan 8.290 nan 0.000 0.500 581 E N -0.985 118.523 120.200 -1.153 0.000 2.433 581 E HA 0.495 5.275 4.350 0.717 0.000 0.278 581 E C -0.711 175.593 176.600 -0.492 0.000 0.976 581 E CA -0.679 55.315 56.400 -0.678 0.000 0.793 581 E CB 1.575 31.157 29.700 -0.197 0.000 1.311 581 E HN 0.306 nan 8.360 nan 0.000 0.460 582 S N 0.752 116.423 115.700 -0.048 0.000 2.448 582 S HA 0.081 4.981 4.470 0.717 0.000 0.279 582 S C 0.558 175.153 174.600 -0.009 0.000 1.195 582 S CA -0.293 58.024 58.200 0.195 0.000 1.051 582 S CB 0.024 63.369 63.200 0.241 0.000 0.948 582 S HN 0.674 nan 8.310 nan 0.000 0.493 583 Y N 5.411 125.570 120.300 -0.234 0.000 2.224 583 Y HA -0.144 4.836 4.550 0.716 0.000 0.289 583 Y C 2.457 178.067 175.900 -0.482 0.000 1.146 583 Y CA 1.947 59.603 58.100 -0.740 0.000 1.182 583 Y CB -0.094 37.913 38.460 -0.755 0.000 0.983 583 Y HN 0.788 nan 8.280 nan 0.000 0.524 584 R N 0.417 120.789 120.500 -0.213 0.000 2.083 584 R HA -0.230 4.540 4.340 0.717 0.000 0.237 584 R C 2.390 178.444 176.300 -0.408 0.000 1.137 584 R CA 1.625 57.577 56.100 -0.246 0.000 0.951 584 R CB -0.659 29.700 30.300 0.097 0.000 0.851 584 R HN 0.441 nan 8.270 nan 0.000 0.434 585 A N -0.034 122.653 122.820 -0.221 0.000 1.908 585 A HA -0.236 4.514 4.320 0.717 0.000 0.218 585 A C 2.043 179.446 177.584 -0.302 0.000 1.181 585 A CA 1.516 53.442 52.037 -0.185 0.000 0.627 585 A CB -1.014 17.950 19.000 -0.060 0.000 0.818 585 A HN 0.628 nan 8.150 nan 0.000 0.445 586 Y N 0.903 120.878 120.300 -0.542 0.000 2.053 586 Y HA -0.252 4.728 4.550 0.717 0.000 0.277 586 Y C 2.424 177.849 175.900 -0.790 0.000 1.159 586 Y CA 2.271 60.001 58.100 -0.618 0.000 1.125 586 Y CB -0.288 37.725 38.460 -0.745 0.000 0.969 586 Y HN 0.212 nan 8.280 nan 0.000 0.492 587 R N 0.541 120.266 120.500 -1.290 0.000 2.115 587 R HA -0.138 4.632 4.340 0.717 0.000 0.230 587 R C 2.177 177.786 176.300 -1.151 0.000 1.111 587 R CA 1.453 56.606 56.100 -1.578 0.000 0.976 587 R CB -0.750 28.008 30.300 -2.569 0.000 0.870 587 R HN 0.525 nan 8.270 nan 0.000 0.445 588 E N 0.647 120.323 120.200 -0.874 0.000 2.072 588 E HA -0.142 4.638 4.350 0.717 0.000 0.191 588 E C 1.268 177.682 176.600 -0.309 0.000 0.985 588 E CA 1.337 57.478 56.400 -0.432 0.000 0.801 588 E CB 0.098 29.659 29.700 -0.232 0.000 0.750 588 E HN 0.230 nan 8.360 nan 0.000 0.452 589 D N 0.000 120.199 120.400 -0.335 0.000 2.097 589 D HA -0.174 4.896 4.640 0.717 0.000 0.197 589 D C 1.882 178.019 176.300 -0.271 0.000 0.984 589 D CA 0.861 54.717 54.000 -0.241 0.000 0.826 589 D CB -0.287 40.391 40.800 -0.203 0.000 0.973 589 D HN 0.185 nan 8.370 nan 0.000 0.460 590 M N 0.425 119.765 119.600 -0.434 0.000 2.106 590 M HA -0.176 4.734 4.480 0.717 0.000 0.259 590 M C 2.157 178.310 176.300 -0.244 0.000 1.068 590 M CA 1.157 56.217 55.300 -0.399 0.000 1.100 590 M CB -0.051 32.164 32.600 -0.642 0.000 1.351 590 M HN 0.034 nan 8.290 nan 0.000 0.404 591 L N 0.161 121.233 121.223 -0.252 0.000 1.989 591 L HA -0.314 4.457 4.340 0.717 0.000 0.211 591 L C 2.375 179.203 176.870 -0.070 0.000 1.071 591 L CA 1.792 56.567 54.840 -0.108 0.000 0.749 591 L CB -0.412 41.621 42.059 -0.043 0.000 0.890 591 L HN 0.327 nan 8.230 nan 0.000 0.431 592 K N -0.604 119.745 120.400 -0.084 0.000 2.020 592 K HA -0.256 4.494 4.320 0.717 0.000 0.212 592 K C 2.154 178.727 176.600 -0.044 0.000 1.050 592 K CA 1.781 58.034 56.287 -0.056 0.000 0.929 592 K CB -0.227 32.238 32.500 -0.059 0.000 0.714 592 K HN 0.245 nan 8.250 nan 0.000 0.443 593 R N 0.945 121.410 120.500 -0.057 0.000 2.097 593 R HA -0.171 4.599 4.340 0.717 0.000 0.236 593 R C 2.036 178.342 176.300 0.011 0.000 1.135 593 R CA 2.110 58.192 56.100 -0.029 0.000 0.934 593 R CB -0.275 29.995 30.300 -0.049 0.000 0.846 593 R HN 0.197 nan 8.270 nan 0.000 0.431 594 D N -0.881 119.529 120.400 0.017 0.000 2.144 594 D HA -0.101 4.969 4.640 0.717 0.000 0.199 594 D C 1.764 178.082 176.300 0.029 0.000 0.984 594 D CA 1.417 55.476 54.000 0.100 0.000 0.834 594 D CB -0.264 40.614 40.800 0.131 0.000 0.955 594 D HN 0.229 nan 8.370 nan 0.000 0.465 595 T N 0.771 115.310 114.554 -0.025 0.000 2.788 595 T HA -0.076 4.704 4.350 0.717 0.000 0.268 595 T C 2.171 176.838 174.700 -0.055 0.000 1.044 595 T CA 0.569 62.628 62.100 -0.069 0.000 1.139 595 T CB -0.177 68.661 68.868 -0.051 0.000 0.867 595 T HN 0.140 nan 8.240 nan 0.000 0.454 596 L N 0.501 121.715 121.223 -0.015 0.000 2.005 596 L HA -0.080 4.690 4.340 0.717 0.000 0.207 596 L C 2.838 179.732 176.870 0.039 0.000 1.072 596 L CA 1.300 56.141 54.840 0.003 0.000 0.744 596 L CB -0.517 41.548 42.059 0.009 0.000 0.895 596 L HN 0.176 nan 8.230 nan 0.000 0.433 597 E N 0.611 120.865 120.200 0.091 0.000 2.070 597 E HA -0.271 4.509 4.350 0.717 0.000 0.197 597 E C 1.995 178.750 176.600 0.258 0.000 1.004 597 E CA 1.331 57.859 56.400 0.213 0.000 0.805 597 E CB -0.384 29.492 29.700 0.292 0.000 0.744 597 E HN 0.228 nan 8.360 nan 0.000 0.451 598 L N 0.653 121.857 121.223 -0.030 0.000 2.013 598 L HA -0.264 4.506 4.340 0.717 0.000 0.212 598 L C 2.312 179.142 176.870 -0.066 0.000 1.073 598 L CA 2.658 57.254 54.840 -0.407 0.000 0.753 598 L CB -1.177 40.447 42.059 -0.723 0.000 0.890 598 L HN 0.313 nan 8.230 nan 0.000 0.432 599 S N -0.705 114.969 115.700 -0.044 0.000 2.402 599 S HA -0.332 4.568 4.470 0.717 0.000 0.233 599 S C 2.178 176.796 174.600 0.030 0.000 1.030 599 S CA 1.430 59.622 58.200 -0.014 0.000 1.003 599 S CB -0.925 62.263 63.200 -0.021 0.000 0.813 599 S HN 0.632 nan 8.310 nan 0.000 0.477 600 R N -0.551 120.000 120.500 0.085 0.000 2.285 600 R HA -0.025 4.745 4.340 0.717 0.000 0.213 600 R C 0.894 177.110 176.300 -0.140 0.000 1.068 600 R CA 1.072 57.165 56.100 -0.011 0.000 1.004 600 R CB -0.132 30.163 30.300 -0.008 0.000 0.873 600 R HN 0.618 nan 8.270 nan 0.000 0.467 601 Y N -1.520 118.792 120.300 0.020 0.000 2.535 601 Y HA 0.202 5.183 4.550 0.717 0.000 0.264 601 Y C 0.324 176.224 175.900 0.000 0.000 1.087 601 Y CA -0.281 57.845 58.100 0.043 0.000 1.285 601 Y CB 0.913 39.455 38.460 0.136 0.000 1.200 601 Y HN -0.256 nan 8.280 nan 0.000 0.514 602 V N 0.977 120.950 119.914 0.098 0.000 2.383 602 V HA 0.424 4.974 4.120 0.717 0.000 0.275 602 V C 0.930 177.027 176.094 0.004 0.000 1.036 602 V CA -0.222 62.096 62.300 0.029 0.000 0.889 602 V CB 0.693 32.502 31.823 -0.024 0.000 0.985 602 V HN 0.323 nan 8.190 nan 0.000 0.459 603 A N 4.794 127.616 122.820 0.002 0.000 1.829 603 A HA -0.129 4.621 4.320 0.717 0.000 0.216 603 A C 2.361 179.935 177.584 -0.016 0.000 1.207 603 A CA 2.110 54.142 52.037 -0.009 0.000 0.622 603 A CB -1.086 17.910 19.000 -0.006 0.000 0.846 603 A HN 1.146 nan 8.150 nan 0.000 0.447 604 S N -0.596 115.094 115.700 -0.017 0.000 2.461 604 S HA -0.128 4.772 4.470 0.717 0.000 0.249 604 S C 0.909 175.493 174.600 -0.027 0.000 1.012 604 S CA 1.120 59.307 58.200 -0.022 0.000 0.982 604 S CB -0.744 62.442 63.200 -0.024 0.000 0.764 604 S HN 0.455 nan 8.310 nan 0.000 0.506 605 M N 2.246 121.829 119.600 -0.029 0.000 2.146 605 M HA 0.388 5.298 4.480 0.717 0.000 0.352 605 M C 0.573 176.856 176.300 -0.029 0.000 1.343 605 M CA -0.282 54.997 55.300 -0.035 0.000 1.115 605 M CB 0.823 33.396 32.600 -0.044 0.000 1.657 605 M HN 0.350 nan 8.290 nan 0.000 0.471 606 A N 4.237 127.040 122.820 -0.028 0.000 2.531 606 A HA 0.041 4.792 4.320 0.717 0.000 0.236 606 A C 0.612 178.181 177.584 -0.024 0.000 1.062 606 A CA 0.036 52.059 52.037 -0.024 0.000 0.760 606 A CB 0.093 19.079 19.000 -0.023 0.000 0.995 606 A HN 0.894 nan 8.150 nan 0.000 0.501 607 R N 0.782 121.270 120.500 -0.021 0.000 3.345 607 R HA -0.015 4.755 4.340 0.717 0.000 0.211 607 R C 0.150 176.440 176.300 -0.017 0.000 1.921 607 R CA 0.884 56.973 56.100 -0.018 0.000 1.609 607 R CB -0.444 29.845 30.300 -0.018 0.000 1.039 607 R HN 0.820 nan 8.270 nan 0.000 0.537 608 Q N -1.969 117.819 119.800 -0.021 0.000 1.294 608 Q HA 0.043 4.813 4.340 0.717 0.000 0.127 608 Q C -1.066 174.919 176.000 -0.026 0.000 0.753 608 Q CA -0.083 55.708 55.803 -0.021 0.000 0.608 608 Q CB 0.137 28.865 28.738 -0.016 0.000 1.112 608 Q HN 0.402 nan 8.270 nan 0.000 0.318 609 A N 0.819 123.621 122.820 -0.030 0.000 2.492 609 A HA 0.601 5.351 4.320 0.717 0.000 0.254 609 A C 0.951 178.511 177.584 -0.040 0.000 1.091 609 A CA 0.786 52.804 52.037 -0.032 0.000 0.768 609 A CB 0.244 19.224 19.000 -0.033 0.000 1.028 609 A HN 0.293 nan 8.150 nan 0.000 0.498 610 G N 0.468 109.247 108.800 -0.036 0.000 2.593 610 G HA2 0.264 4.654 3.960 0.717 0.000 0.279 610 G HA3 0.264 4.654 3.960 0.717 0.000 0.279 610 G C 0.664 175.534 174.900 -0.051 0.000 1.329 610 G CA -0.360 44.716 45.100 -0.039 0.000 1.036 610 G HN 0.775 nan 8.290 nan 0.000 0.555 611 L N 0.786 121.979 121.223 -0.051 0.000 2.627 611 L HA 0.121 4.891 4.340 0.717 0.000 0.233 611 L C 2.930 179.766 176.870 -0.057 0.000 1.144 611 L CA 0.432 55.235 54.840 -0.062 0.000 0.892 611 L CB -0.521 41.503 42.059 -0.058 0.000 1.039 611 L HN 0.620 nan 8.230 nan 0.000 0.442 612 A N 0.784 123.576 122.820 -0.048 0.000 1.894 612 A HA -0.267 4.483 4.320 0.717 0.000 0.220 612 A C 2.234 179.787 177.584 -0.051 0.000 1.237 612 A CA 2.001 54.012 52.037 -0.044 0.000 0.660 612 A CB -0.328 18.650 19.000 -0.037 0.000 0.835 612 A HN 0.413 nan 8.150 nan 0.000 0.461 613 E N -0.312 119.856 120.200 -0.053 0.000 2.274 613 E HA 0.022 4.802 4.350 0.717 0.000 0.194 613 E C 0.487 177.046 176.600 -0.069 0.000 0.996 613 E CA 0.150 56.516 56.400 -0.057 0.000 0.840 613 E CB -0.318 29.350 29.700 -0.053 0.000 0.772 613 E HN 0.645 nan 8.360 nan 0.000 0.491 614 L N 1.353 122.530 121.223 -0.077 0.000 2.395 614 L HA 0.143 4.913 4.340 0.717 0.000 0.269 614 L C 0.988 177.797 176.870 -0.101 0.000 1.133 614 L CA -0.330 54.454 54.840 -0.093 0.000 0.812 614 L CB 0.906 42.905 42.059 -0.100 0.000 1.125 614 L HN -0.074 nan 8.230 nan 0.000 0.452 615 T N -0.817 113.661 114.554 -0.125 0.000 2.927 615 T HA 0.342 5.122 4.350 0.717 0.000 0.281 615 T C -1.925 172.672 174.700 -0.173 0.000 0.998 615 T CA -1.903 60.109 62.100 -0.147 0.000 1.019 615 T CB 1.846 70.609 68.868 -0.176 0.000 1.061 615 T HN 0.302 nan 8.240 nan 0.000 0.518 616 P HA -0.032 nan 4.420 nan 0.000 0.216 616 P C 1.687 178.820 177.300 -0.278 0.000 1.153 616 P CA 1.099 64.089 63.100 -0.183 0.000 0.858 616 P CB -0.072 31.528 31.700 -0.167 0.000 0.789 617 I N -0.327 119.978 120.570 -0.442 0.000 2.163 617 I HA -0.278 4.322 4.170 0.717 0.000 0.243 617 I C 1.869 177.677 176.117 -0.514 0.000 1.085 617 I CA 1.674 62.491 61.300 -0.805 0.000 1.347 617 I CB -0.831 36.556 38.000 -1.022 0.000 1.044 617 I HN -0.031 nan 8.210 nan 0.000 0.408 618 D N 0.973 121.175 120.400 -0.330 0.000 2.116 618 D HA -0.192 4.878 4.640 0.717 0.000 0.193 618 D C 2.325 178.540 176.300 -0.140 0.000 0.998 618 D CA 1.404 55.283 54.000 -0.202 0.000 0.836 618 D CB -0.410 40.297 40.800 -0.154 0.000 0.951 618 D HN 0.327 nan 8.370 nan 0.000 0.449 619 L N 0.906 122.052 121.223 -0.128 0.000 2.017 619 L HA -0.150 4.620 4.340 0.717 0.000 0.208 619 L C 2.467 179.332 176.870 -0.008 0.000 1.073 619 L CA 1.052 55.856 54.840 -0.060 0.000 0.745 619 L CB -0.454 41.575 42.059 -0.050 0.000 0.894 619 L HN -0.047 nan 8.230 nan 0.000 0.432 620 E N 0.047 120.234 120.200 -0.021 0.000 2.118 620 E HA -0.176 4.604 4.350 0.717 0.000 0.195 620 E C 2.341 179.016 176.600 0.124 0.000 0.992 620 E CA 1.177 57.631 56.400 0.091 0.000 0.804 620 E CB -0.277 29.527 29.700 0.174 0.000 0.741 620 E HN 0.332 nan 8.360 nan 0.000 0.458 621 V N 1.303 121.248 119.914 0.052 0.000 2.453 621 V HA -0.186 4.364 4.120 0.717 0.000 0.247 621 V C 2.444 178.576 176.094 0.065 0.000 1.048 621 V CA 1.049 63.394 62.300 0.076 0.000 1.049 621 V CB -0.379 31.450 31.823 0.011 0.000 0.672 621 V HN 0.193 nan 8.190 nan 0.000 0.457 622 L N -0.083 121.177 121.223 0.060 0.000 2.201 622 L HA -0.072 4.698 4.340 0.717 0.000 0.212 622 L C 2.505 179.477 176.870 0.171 0.000 1.105 622 L CA 1.300 56.222 54.840 0.136 0.000 0.775 622 L CB -0.504 41.624 42.059 0.115 0.000 0.913 622 L HN 0.365 nan 8.230 nan 0.000 0.440 623 A N -1.466 121.432 122.820 0.129 0.000 2.030 623 A HA -0.072 4.678 4.320 0.717 0.000 0.215 623 A C 0.584 178.219 177.584 0.085 0.000 1.164 623 A CA 0.818 52.925 52.037 0.117 0.000 0.697 623 A CB 0.071 19.153 19.000 0.136 0.000 0.827 623 A HN 0.312 nan 8.150 nan 0.000 0.457 624 D N -1.910 118.547 120.400 0.094 0.000 2.472 624 D HA 0.328 5.398 4.640 0.717 0.000 0.248 624 D C -2.485 173.865 176.300 0.083 0.000 1.271 624 D CA -1.567 52.488 54.000 0.091 0.000 0.888 624 D CB 1.036 41.919 40.800 0.139 0.000 1.337 624 D HN -0.082 nan 8.370 nan 0.000 0.526 625 P HA -0.094 nan 4.420 nan 0.000 0.223 625 P C 1.293 178.624 177.300 0.052 0.000 1.144 625 P CA 0.500 63.614 63.100 0.025 0.000 0.783 625 P CB 0.312 31.995 31.700 -0.028 0.000 0.771 626 N N 0.113 118.863 118.700 0.084 0.000 2.120 626 N HA -0.146 5.024 4.740 0.717 0.000 0.188 626 N C 1.388 177.036 175.510 0.229 0.000 1.024 626 N CA 1.223 54.375 53.050 0.171 0.000 0.852 626 N CB -0.277 38.347 38.487 0.228 0.000 1.003 626 N HN 0.153 nan 8.380 nan 0.000 0.424 627 K N 0.312 120.771 120.400 0.098 0.000 2.362 627 K HA -0.143 4.607 4.320 0.717 0.000 0.202 627 K C 1.482 177.889 176.600 -0.320 0.000 1.045 627 K CA 0.394 56.424 56.287 -0.428 0.000 0.936 627 K CB -0.081 32.270 32.500 -0.249 0.000 0.747 627 K HN 0.075 nan 8.250 nan 0.000 0.467 628 L N 0.806 122.027 121.223 -0.004 0.000 2.610 628 L HA -0.064 4.706 4.340 0.717 0.000 0.232 628 L C 0.837 177.749 176.870 0.070 0.000 1.149 628 L CA 1.390 56.272 54.840 0.071 0.000 0.872 628 L CB 0.126 42.236 42.059 0.084 0.000 0.992 628 L HN 0.055 nan 8.230 nan 0.000 0.447 629 Q N -1.444 118.414 119.800 0.097 0.000 2.186 629 Q HA 0.161 4.931 4.340 0.717 0.000 0.241 629 Q C -0.215 175.953 176.000 0.279 0.000 0.849 629 Q CA 0.135 56.047 55.803 0.180 0.000 1.053 629 Q CB 0.489 29.344 28.738 0.196 0.000 1.146 629 Q HN 0.779 nan 8.270 nan 0.000 0.475 630 Y N -4.216 116.058 120.300 -0.043 0.000 2.670 630 Y HA 0.232 5.211 4.550 0.716 0.000 0.293 630 Y C 1.494 177.259 175.900 -0.224 0.000 0.971 630 Y CA -0.054 57.986 58.100 -0.100 0.000 1.033 630 Y CB -0.005 38.395 38.460 -0.101 0.000 1.393 630 Y HN -0.098 nan 8.280 nan 0.000 0.543 631 K N 0.206 120.004 120.400 -1.003 0.000 2.137 631 K HA 0.105 4.855 4.320 0.717 0.000 0.202 631 K C -0.200 175.789 176.600 -1.018 0.000 1.052 631 K CA 0.962 56.562 56.287 -1.144 0.000 0.961 631 K CB 0.281 31.727 32.500 -1.756 0.000 0.741 631 K HN 0.310 nan 8.250 nan 0.000 0.452 632 W N -0.650 120.449 121.300 -0.335 0.000 3.017 632 W HA 0.354 5.444 4.660 0.717 0.000 0.341 632 W C -0.403 176.010 176.519 -0.177 0.000 1.180 632 W CA -0.763 56.431 57.345 -0.253 0.000 1.097 632 W CB 0.840 30.175 29.460 -0.209 0.000 1.468 632 W HN -0.300 nan 8.180 nan 0.000 0.584 633 T N -0.006 114.628 114.554 0.133 0.000 2.916 633 T HA 0.122 4.902 4.350 0.717 0.000 0.292 633 T C 0.918 175.664 174.700 0.078 0.000 1.055 633 T CA -0.366 61.774 62.100 0.066 0.000 1.009 633 T CB 1.712 70.549 68.868 -0.050 0.000 1.118 633 T HN 0.526 nan 8.240 nan 0.000 0.497 634 E N 2.117 122.357 120.200 0.067 0.000 2.136 634 E HA -0.246 4.534 4.350 0.717 0.000 0.202 634 E C 1.879 178.387 176.600 -0.153 0.000 1.019 634 E CA 2.024 58.354 56.400 -0.116 0.000 0.819 634 E CB -0.266 29.226 29.700 -0.348 0.000 0.739 634 E HN 0.666 nan 8.360 nan 0.000 0.458 635 A N 0.780 123.553 122.820 -0.077 0.000 2.019 635 A HA -0.158 4.593 4.320 0.717 0.000 0.219 635 A C 1.520 179.073 177.584 -0.051 0.000 1.164 635 A CA 1.552 53.547 52.037 -0.069 0.000 0.644 635 A CB -0.180 18.794 19.000 -0.043 0.000 0.805 635 A HN 0.341 nan 8.150 nan 0.000 0.449 636 D N -0.676 119.705 120.400 -0.032 0.000 2.340 636 D HA 0.160 5.230 4.640 0.717 0.000 0.220 636 D C -0.188 176.005 176.300 -0.178 0.000 1.039 636 D CA 0.400 54.343 54.000 -0.094 0.000 0.866 636 D CB 0.417 41.159 40.800 -0.096 0.000 0.913 636 D HN 0.172 nan 8.370 nan 0.000 0.523 637 V N 0.967 120.817 119.914 -0.108 0.000 2.540 637 V HA 0.127 4.677 4.120 0.717 0.000 0.302 637 V C 0.273 176.331 176.094 -0.061 0.000 1.035 637 V CA -0.915 61.331 62.300 -0.091 0.000 0.873 637 V CB 2.087 33.929 31.823 0.031 0.000 0.992 637 V HN -0.074 nan 8.190 nan 0.000 0.428 638 S N 3.409 119.064 115.700 -0.074 0.000 2.626 638 S HA 0.061 4.961 4.470 0.717 0.000 0.303 638 S C 1.580 176.173 174.600 -0.013 0.000 1.256 638 S CA 0.282 58.449 58.200 -0.055 0.000 1.069 638 S CB 0.894 64.056 63.200 -0.064 0.000 0.807 638 S HN 1.082 nan 8.310 nan 0.000 0.500 639 A N 4.540 127.346 122.820 -0.023 0.000 1.903 639 A HA -0.268 4.482 4.320 0.717 0.000 0.219 639 A C 2.115 179.714 177.584 0.027 0.000 1.191 639 A CA 2.043 54.077 52.037 -0.004 0.000 0.638 639 A CB -0.735 18.247 19.000 -0.029 0.000 0.823 639 A HN 0.932 nan 8.150 nan 0.000 0.451 640 N N -0.112 118.590 118.700 0.004 0.000 2.381 640 N HA -0.106 5.064 4.740 0.717 0.000 0.182 640 N C 1.300 176.819 175.510 0.014 0.000 1.025 640 N CA 1.576 54.629 53.050 0.005 0.000 0.888 640 N CB -0.383 38.097 38.487 -0.013 0.000 0.965 640 N HN 0.420 nan 8.380 nan 0.000 0.438 641 I N 1.041 121.619 120.570 0.013 0.000 2.494 641 I HA -0.084 4.516 4.170 0.717 0.000 0.250 641 I C 2.426 178.563 176.117 0.033 0.000 1.112 641 I CA 0.626 61.929 61.300 0.005 0.000 1.438 641 I CB -1.503 36.481 38.000 -0.027 0.000 1.111 641 I HN 0.254 nan 8.210 nan 0.000 0.431 642 H N 1.990 121.046 119.070 -0.024 0.000 2.387 642 H HA -0.160 4.826 4.556 0.717 0.000 0.299 642 H C 1.727 177.057 175.328 0.003 0.000 1.099 642 H CA 1.719 57.761 56.048 -0.010 0.000 1.315 642 H CB 0.373 30.124 29.762 -0.018 0.000 1.380 642 H HN 0.422 nan 8.280 nan 0.000 0.513 643 E N -0.142 120.112 120.200 0.091 0.000 2.209 643 E HA -0.113 4.667 4.350 0.717 0.000 0.196 643 E C 2.365 178.984 176.600 0.032 0.000 0.993 643 E CA 0.927 57.354 56.400 0.044 0.000 0.819 643 E CB 0.195 29.913 29.700 0.030 0.000 0.745 643 E HN 0.277 nan 8.360 nan 0.000 0.477 644 V N 1.071 121.006 119.914 0.036 0.000 2.427 644 V HA -0.207 4.343 4.120 0.717 0.000 0.248 644 V C 2.068 178.190 176.094 0.047 0.000 1.051 644 V CA 1.355 63.703 62.300 0.079 0.000 1.048 644 V CB -0.250 31.632 31.823 0.099 0.000 0.666 644 V HN 0.274 nan 8.190 nan 0.000 0.456 645 L N -1.643 119.558 121.223 -0.037 0.000 2.298 645 L HA 0.192 4.962 4.340 0.717 0.000 0.209 645 L C 0.859 177.672 176.870 -0.094 0.000 1.084 645 L CA 0.539 55.330 54.840 -0.081 0.000 0.816 645 L CB -0.081 41.892 42.059 -0.143 0.000 0.967 645 L HN 0.276 nan 8.230 nan 0.000 0.460 646 M N -1.179 118.338 119.600 -0.138 0.000 2.724 646 M HA 0.433 5.343 4.480 0.717 0.000 0.310 646 M C -0.909 175.429 176.300 0.063 0.000 1.217 646 M CA -0.305 54.963 55.300 -0.054 0.000 0.894 646 M CB 1.839 34.362 32.600 -0.128 0.000 1.719 646 M HN -0.080 nan 8.290 nan 0.000 0.479 647 H N -0.342 118.748 119.070 0.034 0.000 2.947 647 H HA 0.638 5.624 4.556 0.717 0.000 0.354 647 H C -1.174 174.196 175.328 0.069 0.000 1.085 647 H CA -0.187 55.891 56.048 0.050 0.000 1.253 647 H CB 1.890 31.671 29.762 0.031 0.000 1.757 647 H HN 0.819 nan 8.280 nan 0.000 0.523 648 G N 1.956 110.779 108.800 0.038 0.000 2.753 648 G HA2 0.536 4.926 3.960 0.717 0.000 0.285 648 G HA3 0.536 4.926 3.960 0.717 0.000 0.285 648 G C -0.920 174.108 174.900 0.214 0.000 1.344 648 G CA -0.490 44.698 45.100 0.147 0.000 1.050 648 G HN 0.395 nan 8.290 nan 0.000 0.532 649 V N 0.089 120.086 119.914 0.138 0.000 2.715 649 V HA 0.417 4.967 4.120 0.717 0.000 0.310 649 V C 0.454 176.597 176.094 0.081 0.000 1.054 649 V CA -0.809 61.561 62.300 0.117 0.000 0.928 649 V CB 1.640 33.518 31.823 0.092 0.000 1.007 649 V HN 1.042 nan 8.190 nan 0.000 0.437 650 S N 2.020 117.763 115.700 0.072 0.000 2.885 650 S HA -0.018 4.882 4.470 0.717 0.000 0.334 650 S C 1.227 175.857 174.600 0.051 0.000 1.224 650 S CA -0.268 57.965 58.200 0.054 0.000 1.080 650 S CB 0.263 63.492 63.200 0.049 0.000 0.801 650 S HN 0.657 nan 8.310 nan 0.000 0.510 651 V N 2.445 122.384 119.914 0.042 0.000 2.546 651 V HA -0.229 4.321 4.120 0.717 0.000 0.254 651 V C 2.314 178.436 176.094 0.047 0.000 1.076 651 V CA 2.236 64.561 62.300 0.041 0.000 1.087 651 V CB -1.319 30.520 31.823 0.026 0.000 0.674 651 V HN 0.780 nan 8.190 nan 0.000 0.470 652 E N 0.667 120.893 120.200 0.043 0.000 2.015 652 E HA -0.130 4.650 4.350 0.717 0.000 0.191 652 E C 2.210 178.847 176.600 0.062 0.000 0.991 652 E CA 1.061 57.488 56.400 0.044 0.000 0.802 652 E CB -0.416 29.305 29.700 0.035 0.000 0.759 652 E HN 0.527 nan 8.360 nan 0.000 0.447 653 K N 0.146 120.584 120.400 0.064 0.000 2.103 653 K HA -0.147 4.603 4.320 0.717 0.000 0.207 653 K C 2.358 179.031 176.600 0.122 0.000 1.048 653 K CA 1.846 58.180 56.287 0.079 0.000 0.930 653 K CB -0.420 32.115 32.500 0.057 0.000 0.716 653 K HN 0.373 nan 8.250 nan 0.000 0.444 654 T N -1.219 113.405 114.554 0.117 0.000 2.809 654 T HA -0.131 4.649 4.350 0.717 0.000 0.260 654 T C 1.901 176.726 174.700 0.208 0.000 1.039 654 T CA 0.994 63.201 62.100 0.178 0.000 1.141 654 T CB -0.112 68.834 68.868 0.131 0.000 0.869 654 T HN 0.278 nan 8.240 nan 0.000 0.437 655 E N 1.256 121.528 120.200 0.120 0.000 2.097 655 E HA -0.278 4.502 4.350 0.717 0.000 0.196 655 E C 2.540 179.185 176.600 0.074 0.000 1.000 655 E CA 1.149 57.596 56.400 0.077 0.000 0.804 655 E CB -0.200 29.527 29.700 0.046 0.000 0.740 655 E HN 0.560 nan 8.360 nan 0.000 0.454 656 R N -0.476 120.081 120.500 0.096 0.000 2.066 656 R HA -0.156 4.614 4.340 0.717 0.000 0.232 656 R C 2.418 178.786 176.300 0.114 0.000 1.131 656 R CA 1.487 57.637 56.100 0.084 0.000 0.955 656 R CB -0.476 29.875 30.300 0.085 0.000 0.851 656 R HN 0.267 nan 8.270 nan 0.000 0.432 657 F N 1.213 121.196 119.950 0.054 0.000 2.102 657 F HA -0.218 4.739 4.527 0.716 0.000 0.298 657 F C 1.918 177.775 175.800 0.096 0.000 1.105 657 F CA 1.379 59.439 58.000 0.101 0.000 1.239 657 F CB -0.539 38.531 39.000 0.116 0.000 0.991 657 F HN 0.068 nan 8.300 nan 0.000 0.474 658 L N 0.868 122.062 121.223 -0.049 0.000 2.127 658 L HA -0.176 4.594 4.340 0.717 0.000 0.211 658 L C 2.608 179.312 176.870 -0.277 0.000 1.089 658 L CA 1.837 56.549 54.840 -0.214 0.000 0.757 658 L CB -0.785 41.267 42.059 -0.010 0.000 0.899 658 L HN 0.191 nan 8.230 nan 0.000 0.434 659 R N -0.874 119.530 120.500 -0.160 0.000 2.075 659 R HA -0.135 4.635 4.340 0.717 0.000 0.232 659 R C 2.415 178.617 176.300 -0.163 0.000 1.126 659 R CA 1.425 57.440 56.100 -0.141 0.000 0.963 659 R CB -0.321 29.939 30.300 -0.067 0.000 0.858 659 R HN 0.582 nan 8.270 nan 0.000 0.435 660 S N -1.019 114.603 115.700 -0.131 0.000 2.603 660 S HA -0.008 4.892 4.470 0.717 0.000 0.229 660 S C 1.559 176.124 174.600 -0.058 0.000 0.972 660 S CA 0.742 58.926 58.200 -0.026 0.000 0.935 660 S CB 0.294 63.546 63.200 0.086 0.000 0.769 660 S HN 0.142 nan 8.310 nan 0.000 0.536 661 V N 0.954 120.647 119.914 -0.368 0.000 2.599 661 V HA 0.280 4.830 4.120 0.717 0.000 0.237 661 V C 1.460 177.114 176.094 -0.733 0.000 1.081 661 V CA 0.666 62.575 62.300 -0.651 0.000 1.107 661 V CB -0.326 30.917 31.823 -0.967 0.000 0.808 661 V HN 0.453 nan 8.190 nan 0.000 0.486 662 M N 1.543 120.713 119.600 -0.716 0.000 2.207 662 M HA 0.103 5.013 4.480 0.717 0.000 0.311 662 M C -1.036 174.903 176.300 -0.601 0.000 1.127 662 M CA -0.813 53.963 55.300 -0.873 0.000 1.181 662 M CB 0.359 32.602 32.600 -0.595 0.000 1.409 662 M HN 0.059 nan 8.290 nan 0.000 0.461 663 P HA -0.003 nan 4.420 nan 0.000 0.215 663 P C 0.223 177.407 177.300 -0.193 0.000 1.160 663 P CA 1.411 64.334 63.100 -0.296 0.000 0.869 663 P CB 0.529 32.104 31.700 -0.208 0.000 0.782 664 R N 0.000 120.393 120.500 -0.179 0.000 2.786 664 R HA 0.000 4.770 4.340 0.717 0.000 0.208 664 R CA 0.000 56.031 56.100 -0.115 0.000 0.921 664 R CB 0.000 30.260 30.300 -0.066 0.000 0.687 664 R HN 0.000 nan 8.270 nan 0.000 0.535