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 3ll3_1_A DATA FIRST_RESID 0 DATA SEQUENCE SLKYIIGXDV GTTATKGVLY DINGKAVASV SKGYPLIQTK VGQAEEDPKL DATA SEQUENCE IFDAVQEIIF DLTQKIDGKI AAISWSSQXH SLIGLGSDDE LLTNSITWAD DATA SEQUENCE NCAKSIVQDA KNRGFAQQIY RKTGXPXHPX APIYKLLWLK NKKTEVFSQA DATA SEQUENCE QKWIGIKEYI IFRLTGKLVT DTTXAAGTGI LNLKTLTWDQ ELLDILKIKK DATA SEQUENCE EQLPKIAQPT KVIFPIKTEY VKKLGIDSDT KIILGASDGY LSTIGVNAID DATA SEQUENCE SDHCALNVGT SGAIRTIVDQ PKIDPSASYF CYPADKTHYL LGGPVNNGGI DATA SEQUENCE VFNWARQTLF DADETPQDFL DVAQTAPAGS RNLIFLPYLG GERAPIWDAN DATA SEQUENCE ARGSFVGLTR XHQKPEXARA VIEGIIFNLY DAASNLIKNT KKPVAINATG DATA SEQUENCE GFLKSDFVRQ LCANIFNVPI VTXKEQQSGT LAAXFLARQA LGLNQDLSEI DATA SEQUENCE GQFAQADKVY FPNPKEAATY QKLFPLYCEI RNALAASYGK FS 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.617 174.600 0.028 0.000 1.055 0 S CA 0.000 58.222 58.200 0.037 0.000 1.107 0 S CB 0.000 63.215 63.200 0.024 0.000 0.593 1 L N 3.169 124.425 121.223 0.055 0.000 2.331 1 L HA 0.462 4.809 4.340 0.010 0.000 0.278 1 L C -0.015 176.847 176.870 -0.013 0.000 1.106 1 L CA 0.062 54.901 54.840 -0.003 0.000 0.824 1 L CB 0.960 43.047 42.059 0.047 0.000 1.142 1 L HN 0.108 nan 8.230 nan 0.000 0.443 2 K N 3.212 123.500 120.400 -0.187 0.000 2.123 2 K HA 0.580 4.906 4.320 0.010 0.000 0.259 2 K C -1.480 174.907 176.600 -0.355 0.000 0.960 2 K CA -0.596 55.623 56.287 -0.113 0.000 0.872 2 K CB 1.791 34.254 32.500 -0.061 0.000 1.079 2 K HN 0.242 nan 8.250 nan 0.000 0.440 3 Y N 0.578 120.881 120.300 0.006 0.000 2.609 3 Y HA 0.527 5.091 4.550 0.023 0.000 0.342 3 Y C -0.272 175.635 175.900 0.010 0.000 1.058 3 Y CA -0.979 57.128 58.100 0.012 0.000 1.055 3 Y CB 1.563 40.024 38.460 0.002 0.000 1.292 3 Y HN 0.289 nan 8.280 nan 0.000 0.476 4 I N 2.697 123.388 120.570 0.202 0.000 2.533 4 I HA 0.434 4.610 4.170 0.010 0.000 0.290 4 I C -1.097 175.113 176.117 0.154 0.000 1.056 4 I CA -0.603 60.767 61.300 0.116 0.000 1.057 4 I CB 1.960 39.981 38.000 0.035 0.000 1.240 4 I HN 0.374 nan 8.210 nan 0.000 0.423 5 I N 4.589 125.189 120.570 0.050 0.000 2.359 5 I HA 0.505 4.681 4.170 0.010 0.000 0.294 5 I C 0.656 176.740 176.117 -0.053 0.000 0.987 5 I CA -0.194 61.104 61.300 -0.003 0.000 1.225 5 I CB 1.687 39.629 38.000 -0.097 0.000 1.366 5 I HN 0.643 nan 8.210 nan 0.000 0.466 9 V N 3.612 123.680 119.914 0.258 0.000 2.267 9 V HA 0.697 4.823 4.120 0.010 0.000 0.254 9 V C 1.391 177.643 176.094 0.264 0.000 1.144 9 V CA 0.139 62.615 62.300 0.294 0.000 0.992 9 V CB 0.555 32.567 31.823 0.314 0.000 1.199 9 V HN 0.545 nan 8.190 nan 0.000 0.493 10 G N 3.135 112.092 108.800 0.262 0.000 2.522 10 G HA2 0.543 4.510 3.960 0.010 0.000 0.304 10 G HA3 0.543 4.510 3.960 0.010 0.000 0.304 10 G C 0.233 175.320 174.900 0.312 0.000 1.210 10 G CA -0.318 44.922 45.100 0.234 0.000 0.960 10 G HN 0.612 nan 8.290 nan 0.000 0.497 11 T N -2.256 112.472 114.554 0.289 0.000 2.918 11 T HA 0.335 4.691 4.350 0.010 0.000 0.302 11 T C 1.454 176.258 174.700 0.174 0.000 1.045 11 T CA 1.120 63.404 62.100 0.307 0.000 1.114 11 T CB 1.019 70.074 68.868 0.311 0.000 0.965 11 T HN 2.085 nan 8.240 nan 0.000 0.540 12 T N -1.509 113.118 114.554 0.120 0.000 10.732 12 T HA -0.249 4.108 4.350 0.010 0.000 0.396 12 T C 0.333 174.648 174.700 -0.641 0.000 1.605 12 T CA 1.227 63.225 62.100 -0.170 0.000 2.571 12 T CB -2.107 66.729 68.868 -0.053 0.000 2.779 12 T HN 2.432 nan 8.240 nan 0.000 1.025 13 A N -0.327 122.167 122.820 -0.543 0.000 2.599 13 A HA 0.667 4.993 4.320 0.010 0.000 0.294 13 A C -0.403 177.138 177.584 -0.071 0.000 1.055 13 A CA -0.024 51.684 52.037 -0.550 0.000 0.683 13 A CB 1.457 20.300 19.000 -0.262 0.000 1.278 13 A HN 0.709 nan 8.150 nan 0.000 0.412 14 T N 1.855 116.460 114.554 0.085 0.000 2.859 14 T HA 0.582 4.938 4.350 0.010 0.000 0.281 14 T C -0.445 174.313 174.700 0.097 0.000 1.005 14 T CA -0.301 61.918 62.100 0.199 0.000 1.025 14 T CB 0.950 70.005 68.868 0.312 0.000 0.977 14 T HN 0.561 nan 8.240 nan 0.000 0.458 15 K N 1.086 121.535 120.400 0.080 0.000 2.324 15 K HA 0.683 5.009 4.320 0.010 0.000 0.253 15 K C -0.142 176.466 176.600 0.013 0.000 0.932 15 K CA -1.032 55.275 56.287 0.034 0.000 0.799 15 K CB 2.183 34.696 32.500 0.023 0.000 1.154 15 K HN 0.665 nan 8.250 nan 0.000 0.425 16 G N 1.028 109.814 108.800 -0.023 0.000 2.452 16 G HA2 0.570 4.536 3.960 0.010 0.000 0.324 16 G HA3 0.570 4.536 3.960 0.010 0.000 0.324 16 G C -1.117 173.721 174.900 -0.103 0.000 1.214 16 G CA -0.568 44.492 45.100 -0.067 0.000 0.947 16 G HN 0.310 nan 8.290 nan 0.000 0.478 17 V N 2.513 122.343 119.914 -0.140 0.000 2.588 17 V HA 0.406 4.532 4.120 0.010 0.000 0.304 17 V C -0.557 175.310 176.094 -0.377 0.000 1.042 17 V CA -0.851 61.267 62.300 -0.303 0.000 0.877 17 V CB 1.626 33.195 31.823 -0.422 0.000 0.996 17 V HN 0.702 nan 8.190 nan 0.000 0.425 18 L N 6.044 127.047 121.223 -0.367 0.000 2.265 18 L HA 0.580 4.927 4.340 0.010 0.000 0.288 18 L C -1.137 175.564 176.870 -0.280 0.000 1.058 18 L CA 0.223 54.927 54.840 -0.226 0.000 0.809 18 L CB 0.443 42.399 42.059 -0.172 0.000 1.179 18 L HN 0.549 nan 8.230 nan 0.000 0.429 19 Y N 2.560 122.903 120.300 0.072 0.000 2.429 19 Y HA 0.429 4.994 4.550 0.025 0.000 0.342 19 Y C 0.105 176.089 175.900 0.139 0.000 1.004 19 Y CA -1.029 57.114 58.100 0.072 0.000 1.075 19 Y CB 1.279 39.732 38.460 -0.012 0.000 1.214 19 Y HN 0.741 nan 8.280 nan 0.000 0.455 20 D N 0.598 121.132 120.400 0.224 0.000 2.433 20 D HA 0.040 4.686 4.640 0.010 0.000 0.255 20 D C 0.562 176.818 176.300 -0.073 0.000 1.226 20 D CA -0.351 53.611 54.000 -0.064 0.000 1.015 20 D CB 0.793 41.537 40.800 -0.095 0.000 1.091 20 D HN 0.429 nan 8.370 nan 0.000 0.527 21 I N -0.094 120.363 120.570 -0.188 0.000 3.334 21 I HA -0.040 4.136 4.170 0.010 0.000 0.282 21 I C 0.624 176.730 176.117 -0.019 0.000 1.313 21 I CA 0.413 61.648 61.300 -0.109 0.000 1.396 21 I CB -0.793 37.123 38.000 -0.140 0.000 1.054 21 I HN 0.262 nan 8.210 nan 0.000 0.495 22 N N 0.390 119.104 118.700 0.024 0.000 2.236 22 N HA 0.201 4.947 4.740 0.010 0.000 0.196 22 N C 1.430 177.088 175.510 0.247 0.000 1.114 22 N CA 0.843 53.963 53.050 0.116 0.000 0.859 22 N CB 0.693 39.228 38.487 0.080 0.000 0.982 22 N HN 0.333 nan 8.380 nan 0.000 0.493 23 G N 1.173 110.064 108.800 0.151 0.000 2.175 23 G HA2 -0.293 3.674 3.960 0.010 0.000 0.244 23 G HA3 -0.293 3.674 3.960 0.010 0.000 0.244 23 G C 0.131 175.186 174.900 0.260 0.000 0.982 23 G CA 0.073 45.237 45.100 0.106 0.000 0.641 23 G HN 0.412 nan 8.290 nan 0.000 0.527 24 K N 1.011 121.559 120.400 0.246 0.000 2.276 24 K HA 0.670 4.996 4.320 0.010 0.000 0.283 24 K C 0.744 177.493 176.600 0.249 0.000 1.044 24 K CA 0.064 56.489 56.287 0.230 0.000 0.944 24 K CB 0.668 33.250 32.500 0.136 0.000 1.012 24 K HN 0.595 nan 8.250 nan 0.000 0.472 25 A N 3.698 126.630 122.820 0.188 0.000 2.454 25 A HA 0.192 4.518 4.320 0.010 0.000 0.260 25 A C 0.811 178.359 177.584 -0.060 0.000 1.106 25 A CA -0.297 51.679 52.037 -0.101 0.000 0.780 25 A CB 0.316 19.213 19.000 -0.171 0.000 1.044 25 A HN 0.765 nan 8.150 nan 0.000 0.498 26 V N -0.655 119.205 119.914 -0.089 0.000 3.570 26 V HA 0.669 4.795 4.120 0.010 0.000 0.257 26 V C 0.572 176.620 176.094 -0.078 0.000 1.272 26 V CA 0.852 63.134 62.300 -0.030 0.000 1.079 26 V CB -0.906 30.953 31.823 0.060 0.000 0.829 26 V HN 1.788 nan 8.190 nan 0.000 0.454 27 A N 0.356 123.092 122.820 -0.138 0.000 2.601 27 A HA 0.865 5.191 4.320 0.010 0.000 0.291 27 A C -0.605 176.876 177.584 -0.171 0.000 1.075 27 A CA 0.180 52.137 52.037 -0.135 0.000 0.671 27 A CB 1.337 20.260 19.000 -0.129 0.000 1.277 27 A HN 1.354 nan 8.150 nan 0.000 0.417 28 S N -0.674 114.947 115.700 -0.131 0.000 2.537 28 S HA 0.816 5.292 4.470 0.010 0.000 0.270 28 S C -1.299 173.251 174.600 -0.083 0.000 1.142 28 S CA -0.651 57.475 58.200 -0.123 0.000 0.870 28 S CB 1.425 64.555 63.200 -0.116 0.000 1.112 28 S HN 1.618 nan 8.310 nan 0.000 0.466 29 V N 1.906 121.779 119.914 -0.069 0.000 2.841 29 V HA 0.887 5.013 4.120 0.010 0.000 0.310 29 V C -0.455 175.625 176.094 -0.024 0.000 1.090 29 V CA -0.413 61.861 62.300 -0.043 0.000 0.930 29 V CB 2.104 33.902 31.823 -0.042 0.000 1.014 29 V HN 1.282 nan 8.190 nan 0.000 0.425 30 S N 3.481 119.174 115.700 -0.012 0.000 2.569 30 S HA 0.915 5.391 4.470 0.010 0.000 0.280 30 S C -1.377 173.225 174.600 0.005 0.000 1.111 30 S CA -1.006 57.194 58.200 0.001 0.000 0.887 30 S CB 2.736 65.932 63.200 -0.007 0.000 1.095 30 S HN 0.487 nan 8.310 nan 0.000 0.476 31 K N 0.752 121.161 120.400 0.015 0.000 2.501 31 K HA 0.630 4.957 4.320 0.010 0.000 0.252 31 K C -0.023 176.543 176.600 -0.056 0.000 0.934 31 K CA -0.350 55.946 56.287 0.014 0.000 0.797 31 K CB 1.915 34.456 32.500 0.068 0.000 1.270 31 K HN 0.961 nan 8.250 nan 0.000 0.431 32 G N 1.167 109.897 108.800 -0.116 0.000 2.488 32 G HA2 0.687 4.653 3.960 0.010 0.000 0.318 32 G HA3 0.687 4.653 3.960 0.010 0.000 0.318 32 G C -1.187 173.582 174.900 -0.218 0.000 1.188 32 G CA -0.404 44.494 45.100 -0.337 0.000 0.944 32 G HN 0.462 nan 8.290 nan 0.000 0.495 33 Y N -1.949 118.383 120.300 0.055 0.000 2.562 33 Y HA 0.639 5.195 4.550 0.009 0.000 0.345 33 Y C -2.591 173.336 175.900 0.045 0.000 1.045 33 Y CA -3.058 55.073 58.100 0.052 0.000 1.028 33 Y CB 0.608 39.105 38.460 0.061 0.000 1.297 33 Y HN 0.383 nan 8.280 nan 0.000 0.463 34 P HA 0.255 nan 4.420 nan 0.000 0.278 34 P C -1.020 176.362 177.300 0.136 0.000 1.238 34 P CA -0.414 62.756 63.100 0.118 0.000 0.794 34 P CB 1.128 32.881 31.700 0.089 0.000 0.955 35 L N 2.590 123.867 121.223 0.089 0.000 2.350 35 L HA 0.313 4.659 4.340 0.010 0.000 0.275 35 L C -0.122 176.773 176.870 0.043 0.000 1.099 35 L CA -0.160 54.722 54.840 0.069 0.000 0.808 35 L CB 0.254 42.337 42.059 0.038 0.000 1.149 35 L HN 0.259 nan 8.230 nan 0.000 0.442 36 I N 4.780 125.368 120.570 0.030 0.000 2.287 36 I HA 0.222 4.398 4.170 0.010 0.000 0.290 36 I C -0.222 175.895 176.117 -0.001 0.000 1.069 36 I CA -0.011 61.299 61.300 0.018 0.000 1.237 36 I CB 0.215 38.225 38.000 0.018 0.000 1.418 36 I HN 0.549 nan 8.210 nan 0.000 0.481 37 Q N 4.607 124.406 119.800 -0.002 0.000 2.851 37 Q HA 0.125 4.471 4.340 0.010 0.000 0.331 37 Q C 1.265 177.262 176.000 -0.005 0.000 0.979 37 Q CA -0.216 55.578 55.803 -0.014 0.000 0.955 37 Q CB 1.242 29.968 28.738 -0.019 0.000 1.298 37 Q HN 0.839 nan 8.270 nan 0.000 0.432 38 T N -1.051 113.503 114.554 0.000 0.000 2.643 38 T HA -0.176 4.181 4.350 0.010 0.000 0.264 38 T C 0.864 175.565 174.700 0.003 0.000 1.045 38 T CA 1.050 63.154 62.100 0.007 0.000 1.155 38 T CB -0.041 68.835 68.868 0.014 0.000 0.863 38 T HN 0.435 nan 8.240 nan 0.000 0.420 39 K N 1.646 122.044 120.400 -0.003 0.000 2.139 39 K HA 0.593 4.919 4.320 0.010 0.000 0.243 39 K C -0.227 176.359 176.600 -0.023 0.000 0.983 39 K CA -1.011 55.272 56.287 -0.007 0.000 0.890 39 K CB 1.769 34.268 32.500 -0.001 0.000 1.090 39 K HN 0.164 nan 8.250 nan 0.000 0.445 40 V N -0.504 119.396 119.914 -0.023 0.000 2.617 40 V HA 0.274 4.400 4.120 0.010 0.000 0.304 40 V C 1.187 177.246 176.094 -0.059 0.000 1.040 40 V CA 0.576 62.855 62.300 -0.035 0.000 1.149 40 V CB -0.458 31.350 31.823 -0.025 0.000 0.914 40 V HN 1.167 nan 8.190 nan 0.000 0.487 41 G N 2.137 110.891 108.800 -0.075 0.000 2.253 41 G HA2 -0.278 3.688 3.960 0.010 0.000 0.251 41 G HA3 -0.278 3.688 3.960 0.010 0.000 0.251 41 G C 0.347 175.168 174.900 -0.131 0.000 0.998 41 G CA 0.498 45.532 45.100 -0.110 0.000 0.621 41 G HN 1.066 nan 8.290 nan 0.000 0.524 42 Q N 0.520 120.259 119.800 -0.102 0.000 2.314 42 Q HA 0.580 4.927 4.340 0.010 0.000 0.258 42 Q C -0.083 175.858 176.000 -0.098 0.000 0.954 42 Q CA 0.410 56.154 55.803 -0.098 0.000 0.890 42 Q CB 0.816 29.518 28.738 -0.059 0.000 1.210 42 Q HN 1.155 nan 8.270 nan 0.000 0.410 43 A N 4.881 127.637 122.820 -0.107 0.000 2.839 43 A HA 0.330 4.656 4.320 0.010 0.000 0.303 43 A C -1.287 176.250 177.584 -0.079 0.000 1.181 43 A CA -0.621 51.349 52.037 -0.113 0.000 0.808 43 A CB 0.693 19.570 19.000 -0.205 0.000 1.391 43 A HN 0.793 nan 8.150 nan 0.000 0.433 44 E N 1.150 121.329 120.200 -0.034 0.000 2.299 44 E HA 0.623 4.979 4.350 0.010 0.000 0.265 44 E C -0.775 175.833 176.600 0.014 0.000 0.911 44 E CA -0.874 55.520 56.400 -0.010 0.000 0.789 44 E CB 2.240 31.938 29.700 -0.002 0.000 1.246 44 E HN 0.754 nan 8.360 nan 0.000 0.427 45 E N 0.748 120.955 120.200 0.012 0.000 2.393 45 E HA 0.289 4.646 4.350 0.010 0.000 0.273 45 E C -1.278 175.298 176.600 -0.039 0.000 0.918 45 E CA -0.932 55.478 56.400 0.017 0.000 0.773 45 E CB 1.682 31.419 29.700 0.061 0.000 1.275 45 E HN 0.236 nan 8.360 nan 0.000 0.451 46 D N 1.967 122.342 120.400 -0.042 0.000 2.336 46 D HA 0.152 4.798 4.640 0.010 0.000 0.249 46 D C -1.686 174.540 176.300 -0.123 0.000 1.213 46 D CA -2.428 51.533 54.000 -0.065 0.000 0.870 46 D CB 1.412 42.202 40.800 -0.016 0.000 1.076 46 D HN 0.111 nan 8.370 nan 0.000 0.483 47 P HA -0.130 nan 4.420 nan 0.000 0.218 47 P C 1.002 178.295 177.300 -0.013 0.000 1.148 47 P CA 1.305 64.237 63.100 -0.280 0.000 0.822 47 P CB 0.351 31.561 31.700 -0.817 0.000 0.784 48 K N -1.020 119.394 120.400 0.022 0.000 2.057 48 K HA -0.115 4.212 4.320 0.010 0.000 0.207 48 K C 1.849 178.547 176.600 0.164 0.000 1.049 48 K CA 1.145 57.537 56.287 0.174 0.000 0.931 48 K CB -0.737 31.834 32.500 0.117 0.000 0.714 48 K HN 0.042 nan 8.250 nan 0.000 0.440 49 L N 1.137 122.400 121.223 0.067 0.000 2.046 49 L HA -0.160 4.186 4.340 0.010 0.000 0.208 49 L C 2.128 179.002 176.870 0.006 0.000 1.077 49 L CA 1.575 56.449 54.840 0.056 0.000 0.747 49 L CB -0.507 41.585 42.059 0.054 0.000 0.896 49 L HN 0.185 nan 8.230 nan 0.000 0.432 50 I N -1.694 118.777 120.570 -0.166 0.000 2.179 50 I HA -0.360 3.817 4.170 0.010 0.000 0.242 50 I C 2.467 178.609 176.117 0.041 0.000 1.088 50 I CA 1.494 62.606 61.300 -0.313 0.000 1.357 50 I CB -0.372 37.360 38.000 -0.447 0.000 1.051 50 I HN 0.188 nan 8.210 nan 0.000 0.409 51 F N 2.036 122.004 119.950 0.029 0.000 2.171 51 F HA -0.254 4.278 4.527 0.009 0.000 0.300 51 F C 2.086 177.920 175.800 0.056 0.000 1.090 51 F CA 1.646 59.678 58.000 0.054 0.000 1.293 51 F CB -0.139 38.901 39.000 0.067 0.000 1.013 51 F HN 0.073 nan 8.300 nan 0.000 0.486 52 D N 0.708 121.119 120.400 0.018 0.000 2.104 52 D HA -0.192 4.454 4.640 0.010 0.000 0.194 52 D C 2.404 178.674 176.300 -0.050 0.000 0.994 52 D CA 1.516 55.489 54.000 -0.047 0.000 0.830 52 D CB -0.740 40.099 40.800 0.065 0.000 0.959 52 D HN 0.386 nan 8.370 nan 0.000 0.452 53 A N 0.561 123.409 122.820 0.046 0.000 1.908 53 A HA -0.161 4.165 4.320 0.010 0.000 0.218 53 A C 2.541 180.157 177.584 0.054 0.000 1.181 53 A CA 1.343 53.443 52.037 0.106 0.000 0.627 53 A CB -0.826 18.338 19.000 0.273 0.000 0.818 53 A HN 0.153 nan 8.150 nan 0.000 0.445 54 V N 0.043 119.963 119.914 0.009 0.000 2.287 54 V HA -0.353 3.774 4.120 0.010 0.000 0.248 54 V C 2.682 178.726 176.094 -0.084 0.000 1.053 54 V CA 2.420 64.727 62.300 0.013 0.000 1.027 54 V CB -0.911 30.943 31.823 0.051 0.000 0.646 54 V HN 0.685 nan 8.190 nan 0.000 0.447 55 Q N -0.607 119.026 119.800 -0.278 0.000 2.119 55 Q HA -0.248 4.098 4.340 0.010 0.000 0.201 55 Q C 2.315 178.305 176.000 -0.017 0.000 0.972 55 Q CA 1.775 57.462 55.803 -0.193 0.000 0.847 55 Q CB -0.171 28.401 28.738 -0.276 0.000 0.903 55 Q HN 0.699 nan 8.270 nan 0.000 0.433 56 E N 0.820 121.016 120.200 -0.008 0.000 2.047 56 E HA -0.177 4.179 4.350 0.010 0.000 0.191 56 E C 1.956 178.615 176.600 0.100 0.000 0.987 56 E CA 0.766 57.208 56.400 0.070 0.000 0.799 56 E CB 0.005 29.736 29.700 0.051 0.000 0.752 56 E HN 0.293 nan 8.360 nan 0.000 0.449 57 I N 0.894 121.498 120.570 0.057 0.000 2.127 57 I HA -0.327 3.850 4.170 0.010 0.000 0.241 57 I C 2.363 178.493 176.117 0.020 0.000 1.075 57 I CA 1.175 62.496 61.300 0.035 0.000 1.334 57 I CB -0.239 37.780 38.000 0.031 0.000 1.040 57 I HN 0.206 nan 8.210 nan 0.000 0.405 58 I N -0.219 120.370 120.570 0.032 0.000 2.226 58 I HA -0.326 3.850 4.170 0.010 0.000 0.245 58 I C 2.502 178.654 176.117 0.058 0.000 1.100 58 I CA 1.446 62.759 61.300 0.022 0.000 1.374 58 I CB -0.421 37.603 38.000 0.039 0.000 1.057 58 I HN 0.167 nan 8.210 nan 0.000 0.413 59 F N 2.326 122.255 119.950 -0.034 0.000 2.095 59 F HA -0.276 4.257 4.527 0.011 0.000 0.298 59 F C 2.098 177.873 175.800 -0.041 0.000 1.104 59 F CA 1.933 59.916 58.000 -0.030 0.000 1.232 59 F CB -0.449 38.540 39.000 -0.020 0.000 0.987 59 F HN 0.077 nan 8.300 nan 0.000 0.475 60 D N 0.532 120.881 120.400 -0.085 0.000 2.123 60 D HA -0.195 4.451 4.640 0.010 0.000 0.196 60 D C 2.483 178.650 176.300 -0.222 0.000 0.992 60 D CA 1.552 55.442 54.000 -0.184 0.000 0.833 60 D CB -0.574 40.197 40.800 -0.048 0.000 0.954 60 D HN 0.333 nan 8.370 nan 0.000 0.455 61 L N 0.568 121.692 121.223 -0.166 0.000 2.017 61 L HA -0.166 4.181 4.340 0.010 0.000 0.208 61 L C 2.640 179.369 176.870 -0.235 0.000 1.073 61 L CA 1.719 56.451 54.840 -0.179 0.000 0.745 61 L CB -0.969 41.004 42.059 -0.143 0.000 0.894 61 L HN 0.186 nan 8.230 nan 0.000 0.432 62 T N -3.925 110.487 114.554 -0.237 0.000 2.915 62 T HA -0.171 4.185 4.350 0.010 0.000 0.269 62 T C 1.798 176.316 174.700 -0.302 0.000 1.071 62 T CA 0.644 62.596 62.100 -0.245 0.000 1.132 62 T CB -0.168 68.604 68.868 -0.161 0.000 0.878 62 T HN 0.220 nan 8.240 nan 0.000 0.479 63 Q N 1.132 120.686 119.800 -0.409 0.000 2.291 63 Q HA 0.078 4.424 4.340 0.010 0.000 0.205 63 Q C 2.021 177.870 176.000 -0.252 0.000 0.970 63 Q CA 0.952 56.523 55.803 -0.388 0.000 0.876 63 Q CB -0.160 28.276 28.738 -0.503 0.000 0.935 63 Q HN 0.645 nan 8.270 nan 0.000 0.455 64 K N 0.388 120.644 120.400 -0.241 0.000 2.418 64 K HA 0.045 4.371 4.320 0.010 0.000 0.195 64 K C 0.626 177.108 176.600 -0.197 0.000 1.035 64 K CA 0.257 56.428 56.287 -0.194 0.000 1.003 64 K CB 0.204 32.593 32.500 -0.184 0.000 0.793 64 K HN 0.173 nan 8.250 nan 0.000 0.494 65 I N -3.773 116.653 120.570 -0.241 0.000 3.074 65 I HA 0.320 4.496 4.170 0.010 0.000 0.310 65 I C -1.218 174.797 176.117 -0.170 0.000 1.153 65 I CA -1.168 59.982 61.300 -0.249 0.000 0.993 65 I CB 1.833 39.514 38.000 -0.531 0.000 1.237 65 I HN -0.331 nan 8.210 nan 0.000 0.443 66 D N 1.932 122.279 120.400 -0.088 0.000 2.479 66 D HA 0.729 5.375 4.640 0.010 0.000 0.247 66 D C -0.197 176.124 176.300 0.036 0.000 1.119 66 D CA 0.204 54.186 54.000 -0.031 0.000 0.922 66 D CB 0.642 41.437 40.800 -0.008 0.000 1.014 66 D HN 1.048 nan 8.370 nan 0.000 0.510 67 G N 1.450 110.271 108.800 0.034 0.000 2.548 67 G HA2 0.356 4.322 3.960 0.010 0.000 0.301 67 G HA3 0.356 4.322 3.960 0.010 0.000 0.301 67 G C -1.220 173.757 174.900 0.128 0.000 1.349 67 G CA -0.925 44.271 45.100 0.159 0.000 0.792 67 G HN 0.173 nan 8.290 nan 0.000 0.481 68 K N 0.266 120.774 120.400 0.181 0.000 2.172 68 K HA 0.470 4.797 4.320 0.010 0.000 0.276 68 K C -0.226 176.480 176.600 0.177 0.000 1.013 68 K CA -0.635 55.731 56.287 0.133 0.000 0.913 68 K CB 1.617 34.175 32.500 0.097 0.000 1.055 68 K HN 0.165 nan 8.250 nan 0.000 0.461 69 I N 3.630 124.270 120.570 0.116 0.000 2.308 69 I HA 0.049 4.226 4.170 0.010 0.000 0.293 69 I C 1.193 177.368 176.117 0.097 0.000 1.078 69 I CA 0.199 61.566 61.300 0.112 0.000 1.292 69 I CB 0.100 38.139 38.000 0.065 0.000 1.423 69 I HN 0.804 nan 8.210 nan 0.000 0.493 70 A N 5.528 128.401 122.820 0.089 0.000 1.968 70 A HA 0.449 4.775 4.320 0.010 0.000 0.217 70 A C 1.058 178.678 177.584 0.059 0.000 1.169 70 A CA 1.150 53.223 52.037 0.061 0.000 0.638 70 A CB 0.143 19.160 19.000 0.028 0.000 0.812 70 A HN 0.788 nan 8.150 nan 0.000 0.446 71 A N -1.306 121.545 122.820 0.052 0.000 2.605 71 A HA 0.637 4.963 4.320 0.010 0.000 0.294 71 A C -1.283 176.309 177.584 0.014 0.000 1.062 71 A CA -0.471 51.594 52.037 0.046 0.000 0.682 71 A CB 0.623 19.634 19.000 0.017 0.000 1.278 71 A HN 0.247 nan 8.150 nan 0.000 0.410 72 I N 1.482 122.057 120.570 0.009 0.000 2.418 72 I HA 0.520 4.696 4.170 0.010 0.000 0.287 72 I C 0.245 176.226 176.117 -0.227 0.000 1.008 72 I CA -0.401 60.817 61.300 -0.136 0.000 1.104 72 I CB 1.936 39.867 38.000 -0.114 0.000 1.264 72 I HN 0.551 nan 8.210 nan 0.000 0.438 73 S N 4.980 120.459 115.700 -0.369 0.000 2.648 73 S HA 0.701 5.177 4.470 0.010 0.000 0.305 73 S C -1.836 172.461 174.600 -0.506 0.000 1.094 73 S CA -0.427 57.618 58.200 -0.258 0.000 0.983 73 S CB 1.100 64.253 63.200 -0.078 0.000 1.101 73 S HN 0.429 nan 8.310 nan 0.000 0.514 74 W N 1.236 122.573 121.300 0.062 0.000 2.739 74 W HA 0.599 5.267 4.660 0.014 0.000 0.331 74 W C -0.117 176.446 176.519 0.073 0.000 1.049 74 W CA -0.534 56.853 57.345 0.070 0.000 1.234 74 W CB 1.756 31.257 29.460 0.067 0.000 1.404 74 W HN 0.547 nan 8.180 nan 0.000 0.477 75 S N 2.346 118.210 115.700 0.274 0.000 2.503 75 S HA 0.806 5.282 4.470 0.010 0.000 0.301 75 S C -0.896 173.839 174.600 0.225 0.000 1.087 75 S CA -0.379 57.945 58.200 0.206 0.000 1.042 75 S CB 1.462 64.745 63.200 0.139 0.000 1.043 75 S HN 0.397 nan 8.310 nan 0.000 0.489 76 S N 2.873 118.677 115.700 0.172 0.000 2.536 76 S HA 0.408 4.884 4.470 0.010 0.000 0.271 76 S C -0.491 174.167 174.600 0.097 0.000 1.134 76 S CA -0.803 57.491 58.200 0.158 0.000 0.897 76 S CB 1.328 64.617 63.200 0.148 0.000 1.094 76 S HN 0.950 nan 8.310 nan 0.000 0.473 80 S N 1.508 117.326 115.700 0.196 0.000 2.592 80 S HA 0.471 4.947 4.470 0.010 0.000 0.271 80 S C 0.100 174.776 174.600 0.127 0.000 1.326 80 S CA -0.520 57.777 58.200 0.161 0.000 1.024 80 S CB 2.003 65.282 63.200 0.132 0.000 0.921 80 S HN 0.201 nan 8.310 nan 0.000 0.527 81 L N 2.216 123.510 121.223 0.120 0.000 2.470 81 L HA 0.716 5.062 4.340 0.010 0.000 0.268 81 L C -1.510 175.460 176.870 0.168 0.000 0.964 81 L CA -0.568 54.359 54.840 0.144 0.000 0.839 81 L CB 1.450 43.580 42.059 0.119 0.000 1.276 81 L HN 0.894 nan 8.230 nan 0.000 0.403 82 I N 3.728 124.418 120.570 0.199 0.000 2.569 82 I HA 0.612 4.788 4.170 0.010 0.000 0.290 82 I C 0.151 176.333 176.117 0.107 0.000 1.088 82 I CA -0.710 60.658 61.300 0.114 0.000 1.047 82 I CB 2.339 40.316 38.000 -0.039 0.000 1.237 82 I HN 0.745 nan 8.210 nan 0.000 0.421 83 G N 6.520 115.286 108.800 -0.056 0.000 2.343 83 G HA2 0.721 4.687 3.960 0.010 0.000 0.319 83 G HA3 0.721 4.687 3.960 0.010 0.000 0.319 83 G C -0.873 173.756 174.900 -0.452 0.000 1.126 83 G CA -0.436 44.288 45.100 -0.626 0.000 0.889 83 G HN 0.402 nan 8.290 nan 0.000 0.457 84 L N 1.985 122.902 121.223 -0.510 0.000 2.334 84 L HA 0.613 4.959 4.340 0.010 0.000 0.276 84 L C 1.136 177.792 176.870 -0.356 0.000 1.014 84 L CA -0.953 53.687 54.840 -0.335 0.000 0.815 84 L CB 1.942 43.833 42.059 -0.280 0.000 1.268 84 L HN 0.649 nan 8.230 nan 0.000 0.428 85 G N 0.009 108.668 108.800 -0.234 0.000 2.563 85 G HA2 0.206 4.172 3.960 0.010 0.000 0.283 85 G HA3 0.206 4.172 3.960 0.010 0.000 0.283 85 G C 0.971 175.774 174.900 -0.161 0.000 1.309 85 G CA 0.223 45.205 45.100 -0.198 0.000 1.022 85 G HN 0.727 nan 8.290 nan 0.000 0.501 86 S N -1.329 114.295 115.700 -0.126 0.000 2.423 86 S HA -0.101 4.375 4.470 0.010 0.000 0.231 86 S C 1.174 175.735 174.600 -0.064 0.000 1.014 86 S CA 1.620 59.762 58.200 -0.097 0.000 0.965 86 S CB -0.041 63.112 63.200 -0.078 0.000 0.785 86 S HN 0.394 nan 8.310 nan 0.000 0.495 87 D N 1.489 121.858 120.400 -0.052 0.000 2.325 87 D HA 0.197 4.843 4.640 0.010 0.000 0.234 87 D C -0.226 176.073 176.300 -0.001 0.000 1.122 87 D CA 0.186 54.172 54.000 -0.023 0.000 0.850 87 D CB -0.241 40.547 40.800 -0.020 0.000 0.921 87 D HN 0.184 nan 8.370 nan 0.000 0.513 88 D N 0.339 120.726 120.400 -0.021 0.000 3.059 88 D HA -0.178 4.468 4.640 0.010 0.000 0.220 88 D C 0.128 176.457 176.300 0.048 0.000 1.169 88 D CA 0.822 54.833 54.000 0.017 0.000 0.902 88 D CB -0.737 40.171 40.800 0.180 0.000 1.116 88 D HN 0.543 nan 8.370 nan 0.000 0.417 89 E N 0.806 121.004 120.200 -0.004 0.000 2.319 89 E HA 0.293 4.650 4.350 0.010 0.000 0.268 89 E C 0.354 176.934 176.600 -0.034 0.000 1.050 89 E CA -0.583 55.820 56.400 0.004 0.000 0.878 89 E CB 1.056 30.750 29.700 -0.010 0.000 1.066 89 E HN 0.270 nan 8.360 nan 0.000 0.406 90 L N 3.090 124.301 121.223 -0.021 0.000 2.513 90 L HA -0.023 4.323 4.340 0.010 0.000 0.272 90 L C 1.291 178.113 176.870 -0.080 0.000 1.187 90 L CA 0.020 54.816 54.840 -0.075 0.000 0.895 90 L CB 0.165 42.170 42.059 -0.090 0.000 1.147 90 L HN 0.557 nan 8.230 nan 0.000 0.483 91 L N 2.194 123.350 121.223 -0.112 0.000 2.515 91 L HA 0.138 4.484 4.340 0.010 0.000 0.223 91 L C 0.794 177.645 176.870 -0.033 0.000 1.079 91 L CA 0.298 55.085 54.840 -0.088 0.000 0.857 91 L CB 0.341 42.308 42.059 -0.154 0.000 1.050 91 L HN 0.808 nan 8.230 nan 0.000 0.476 92 T N -4.555 109.979 114.554 -0.033 0.000 2.841 92 T HA 0.389 4.745 4.350 0.010 0.000 0.296 92 T C -0.272 174.414 174.700 -0.023 0.000 1.166 92 T CA -0.915 61.198 62.100 0.022 0.000 1.007 92 T CB 1.999 70.934 68.868 0.112 0.000 1.253 92 T HN -0.204 nan 8.240 nan 0.000 0.511 93 N N 0.667 119.364 118.700 -0.005 0.000 2.322 93 N HA 0.277 5.024 4.740 0.010 0.000 0.270 93 N C -0.100 175.389 175.510 -0.035 0.000 1.286 93 N CA -0.408 52.618 53.050 -0.039 0.000 0.948 93 N CB 0.780 39.258 38.487 -0.016 0.000 1.164 93 N HN 0.720 nan 8.380 nan 0.000 0.551 94 S N 0.507 116.173 115.700 -0.057 0.000 2.422 94 S HA 0.286 4.762 4.470 0.010 0.000 0.283 94 S C 0.111 174.720 174.600 0.015 0.000 1.163 94 S CA -0.640 57.545 58.200 -0.025 0.000 1.054 94 S CB -0.733 62.440 63.200 -0.046 0.000 0.967 94 S HN 0.266 nan 8.310 nan 0.000 0.499 95 I N 6.172 126.769 120.570 0.045 0.000 2.294 95 I HA 0.131 4.307 4.170 0.010 0.000 0.295 95 I C 1.334 177.479 176.117 0.046 0.000 1.098 95 I CA -0.493 60.828 61.300 0.035 0.000 1.277 95 I CB 0.338 38.369 38.000 0.053 0.000 1.434 95 I HN 0.625 nan 8.210 nan 0.000 0.498 96 T N 3.483 118.043 114.554 0.010 0.000 2.766 96 T HA 0.018 4.374 4.350 0.010 0.000 0.295 96 T C 1.465 176.183 174.700 0.029 0.000 1.024 96 T CA -0.603 61.518 62.100 0.036 0.000 1.018 96 T CB 0.899 69.737 68.868 -0.049 0.000 1.002 96 T HN 0.738 nan 8.240 nan 0.000 0.532 97 W N 0.486 121.874 121.300 0.147 0.000 2.331 97 W HA -0.066 4.601 4.660 0.011 0.000 0.291 97 W C 1.573 178.176 176.519 0.139 0.000 1.214 97 W CA 0.922 58.378 57.345 0.185 0.000 1.228 97 W CB -1.438 28.189 29.460 0.279 0.000 1.135 97 W HN 0.745 nan 8.180 nan 0.000 0.537 98 A N 0.690 122.847 122.820 -1.105 0.000 2.208 98 A HA -0.047 4.280 4.320 0.010 0.000 0.209 98 A C 0.794 178.111 177.584 -0.444 0.000 1.161 98 A CA 0.520 51.877 52.037 -1.134 0.000 0.782 98 A CB -0.695 17.450 19.000 -1.425 0.000 0.816 98 A HN 0.200 nan 8.150 nan 0.000 0.477 99 D N 1.021 121.252 120.400 -0.282 0.000 2.383 99 D HA 0.050 4.696 4.640 0.010 0.000 0.252 99 D C -0.075 176.116 176.300 -0.182 0.000 1.166 99 D CA 0.035 53.915 54.000 -0.200 0.000 0.879 99 D CB 0.544 41.250 40.800 -0.157 0.000 1.164 99 D HN 0.411 nan 8.370 nan 0.000 0.462 100 N N 1.765 120.342 118.700 -0.206 0.000 2.273 100 N HA -0.035 4.711 4.740 0.010 0.000 0.231 100 N C 1.562 176.879 175.510 -0.322 0.000 1.134 100 N CA -0.394 52.525 53.050 -0.218 0.000 0.856 100 N CB -0.733 37.650 38.487 -0.173 0.000 1.068 100 N HN 0.418 nan 8.380 nan 0.000 0.510 101 C N -2.150 116.875 119.300 -0.458 0.000 2.403 101 C HA 0.092 4.558 4.460 0.010 0.000 0.279 101 C C 2.168 176.572 174.990 -0.977 0.000 1.269 101 C CA 0.508 59.017 59.018 -0.847 0.000 1.774 101 C CB -1.467 25.497 27.740 -1.293 0.000 1.993 101 C HN 0.511 nan 8.230 nan 0.000 0.496 102 A N 1.248 123.719 122.820 -0.580 0.000 2.302 102 A HA 0.132 4.458 4.320 0.010 0.000 0.219 102 A C 2.253 179.716 177.584 -0.201 0.000 1.243 102 A CA 0.737 52.592 52.037 -0.302 0.000 0.856 102 A CB -0.582 18.377 19.000 -0.068 0.000 0.893 102 A HN 0.717 nan 8.150 nan 0.000 0.491 103 K N 0.648 120.904 120.400 -0.240 0.000 2.103 103 K HA -0.115 4.211 4.320 0.010 0.000 0.207 103 K C 1.380 177.897 176.600 -0.138 0.000 1.048 103 K CA 2.146 58.308 56.287 -0.208 0.000 0.930 103 K CB -0.466 31.918 32.500 -0.193 0.000 0.716 103 K HN 0.308 nan 8.250 nan 0.000 0.444 104 S N 1.486 117.145 115.700 -0.068 0.000 2.387 104 S HA -0.008 4.468 4.470 0.010 0.000 0.226 104 S C 2.038 176.643 174.600 0.009 0.000 1.026 104 S CA 0.849 59.042 58.200 -0.011 0.000 0.972 104 S CB -0.123 63.104 63.200 0.045 0.000 0.814 104 S HN 0.220 nan 8.310 nan 0.000 0.477 105 I N 1.623 122.222 120.570 0.050 0.000 2.208 105 I HA -0.118 4.058 4.170 0.010 0.000 0.245 105 I C 2.261 178.381 176.117 0.006 0.000 1.097 105 I CA 1.128 62.486 61.300 0.096 0.000 1.363 105 I CB -1.430 36.689 38.000 0.198 0.000 1.051 105 I HN 0.161 nan 8.210 nan 0.000 0.413 106 V N 0.439 120.247 119.914 -0.178 0.000 2.307 106 V HA -0.270 3.857 4.120 0.010 0.000 0.245 106 V C 2.574 178.549 176.094 -0.198 0.000 1.045 106 V CA 1.704 63.765 62.300 -0.398 0.000 1.024 106 V CB -0.697 30.765 31.823 -0.602 0.000 0.651 106 V HN 0.353 nan 8.190 nan 0.000 0.449 107 Q N 0.622 120.342 119.800 -0.133 0.000 2.061 107 Q HA -0.232 4.115 4.340 0.010 0.000 0.204 107 Q C 1.817 177.801 176.000 -0.026 0.000 0.984 107 Q CA 2.301 58.059 55.803 -0.075 0.000 0.846 107 Q CB -0.522 28.182 28.738 -0.056 0.000 0.902 107 Q HN 0.656 nan 8.270 nan 0.000 0.421 108 D N -0.216 120.185 120.400 0.002 0.000 2.097 108 D HA -0.142 4.504 4.640 0.010 0.000 0.195 108 D C 1.704 178.049 176.300 0.074 0.000 0.989 108 D CA 1.568 55.589 54.000 0.035 0.000 0.827 108 D CB -0.590 40.239 40.800 0.047 0.000 0.966 108 D HN 0.408 nan 8.370 nan 0.000 0.456 109 A N 1.051 123.943 122.820 0.119 0.000 1.917 109 A HA -0.265 4.061 4.320 0.010 0.000 0.219 109 A C 2.099 179.765 177.584 0.135 0.000 1.182 109 A CA 1.992 54.166 52.037 0.228 0.000 0.633 109 A CB -0.574 18.606 19.000 0.300 0.000 0.819 109 A HN 0.182 nan 8.150 nan 0.000 0.448 110 K N -0.617 119.804 120.400 0.035 0.000 2.097 110 K HA -0.157 4.169 4.320 0.010 0.000 0.205 110 K C 1.584 178.195 176.600 0.019 0.000 1.050 110 K CA 1.429 57.717 56.287 0.001 0.000 0.938 110 K CB -0.163 32.306 32.500 -0.052 0.000 0.718 110 K HN 0.467 nan 8.250 nan 0.000 0.442 111 N N 0.809 119.522 118.700 0.022 0.000 2.244 111 N HA -0.112 4.634 4.740 0.010 0.000 0.183 111 N C 1.292 176.822 175.510 0.034 0.000 1.016 111 N CA 1.092 54.154 53.050 0.020 0.000 0.866 111 N CB -0.047 38.448 38.487 0.013 0.000 0.980 111 N HN 0.223 nan 8.380 nan 0.000 0.430 112 R N -0.516 120.020 120.500 0.060 0.000 2.300 112 R HA 0.210 4.556 4.340 0.010 0.000 0.199 112 R C 1.001 177.353 176.300 0.087 0.000 0.920 112 R CA 0.530 56.668 56.100 0.063 0.000 1.046 112 R CB 0.316 30.654 30.300 0.062 0.000 0.984 112 R HN 0.187 nan 8.270 nan 0.000 0.493 113 G N 0.394 109.254 108.800 0.101 0.000 2.157 113 G HA2 -0.323 3.643 3.960 0.010 0.000 0.248 113 G HA3 -0.323 3.643 3.960 0.010 0.000 0.248 113 G C 0.486 175.499 174.900 0.188 0.000 0.979 113 G CA 0.122 45.285 45.100 0.106 0.000 0.650 113 G HN 0.368 nan 8.290 nan 0.000 0.529 114 F N 1.672 121.646 119.950 0.039 0.000 2.234 114 F HA 0.406 4.939 4.527 0.011 0.000 0.296 114 F C 2.496 178.354 175.800 0.097 0.000 1.089 114 F CA 1.714 59.749 58.000 0.058 0.000 1.343 114 F CB -0.621 38.416 39.000 0.062 0.000 1.040 114 F HN 0.304 nan 8.300 nan 0.000 0.498 115 A N 0.004 122.843 122.820 0.032 0.000 1.902 115 A HA -0.217 4.110 4.320 0.010 0.000 0.217 115 A C 2.020 179.599 177.584 -0.008 0.000 1.181 115 A CA 1.737 53.766 52.037 -0.014 0.000 0.623 115 A CB -0.774 18.229 19.000 0.005 0.000 0.818 115 A HN 0.467 nan 8.150 nan 0.000 0.443 116 Q N -0.612 119.198 119.800 0.017 0.000 2.124 116 Q HA -0.204 4.142 4.340 0.010 0.000 0.202 116 Q C 2.184 178.229 176.000 0.075 0.000 0.977 116 Q CA 1.910 57.738 55.803 0.041 0.000 0.850 116 Q CB -0.292 28.465 28.738 0.031 0.000 0.901 116 Q HN 0.856 nan 8.270 nan 0.000 0.429 117 Q N 0.073 119.904 119.800 0.051 0.000 2.083 117 Q HA -0.109 4.238 4.340 0.010 0.000 0.198 117 Q C 1.960 177.952 176.000 -0.014 0.000 0.969 117 Q CA 0.904 56.739 55.803 0.054 0.000 0.838 117 Q CB -0.018 28.807 28.738 0.145 0.000 0.900 117 Q HN 0.431 nan 8.270 nan 0.000 0.436 118 I N 0.246 120.733 120.570 -0.138 0.000 2.208 118 I HA -0.308 3.868 4.170 0.010 0.000 0.245 118 I C 2.226 178.321 176.117 -0.037 0.000 1.097 118 I CA 1.375 62.572 61.300 -0.172 0.000 1.363 118 I CB -0.370 37.408 38.000 -0.371 0.000 1.051 118 I HN 0.333 nan 8.210 nan 0.000 0.413 119 Y N 1.701 121.947 120.300 -0.089 0.000 2.097 119 Y HA -0.270 4.286 4.550 0.010 0.000 0.282 119 Y C 2.737 178.610 175.900 -0.045 0.000 1.152 119 Y CA 1.650 59.710 58.100 -0.066 0.000 1.136 119 Y CB -0.342 38.055 38.460 -0.106 0.000 0.975 119 Y HN -0.057 nan 8.280 nan 0.000 0.498 120 R N 0.083 120.539 120.500 -0.074 0.000 2.105 120 R HA -0.179 4.167 4.340 0.010 0.000 0.239 120 R C 2.247 178.463 176.300 -0.140 0.000 1.135 120 R CA 1.935 57.957 56.100 -0.130 0.000 0.967 120 R CB -0.135 30.160 30.300 -0.009 0.000 0.861 120 R HN 0.349 nan 8.270 nan 0.000 0.442 121 K N -1.210 119.138 120.400 -0.086 0.000 2.116 121 K HA -0.042 4.285 4.320 0.010 0.000 0.203 121 K C 1.729 178.298 176.600 -0.052 0.000 1.052 121 K CA 1.658 57.916 56.287 -0.049 0.000 0.952 121 K CB 0.329 32.823 32.500 -0.010 0.000 0.729 121 K HN 0.267 nan 8.250 nan 0.000 0.446 122 T N -3.415 111.094 114.554 -0.075 0.000 3.016 122 T HA 0.313 4.670 4.350 0.010 0.000 0.271 122 T C 0.701 175.407 174.700 0.011 0.000 0.968 122 T CA 0.134 62.230 62.100 -0.006 0.000 0.891 122 T CB 0.731 69.617 68.868 0.030 0.000 1.149 122 T HN 0.294 nan 8.240 nan 0.000 0.524 131 P HA -0.219 nan 4.420 nan 0.000 0.218 131 P C 1.612 178.864 177.300 -0.080 0.000 1.154 131 P CA 1.702 64.807 63.100 0.009 0.000 0.872 131 P CB 0.147 31.853 31.700 0.010 0.000 0.790 132 I N -2.370 118.112 120.570 -0.147 0.000 2.208 132 I HA -0.313 3.863 4.170 0.010 0.000 0.245 132 I C 1.844 177.817 176.117 -0.241 0.000 1.097 132 I CA 1.785 62.930 61.300 -0.258 0.000 1.363 132 I CB -0.205 37.564 38.000 -0.385 0.000 1.051 132 I HN -0.070 nan 8.210 nan 0.000 0.413 133 Y N 1.135 121.424 120.300 -0.018 0.000 2.314 133 Y HA -0.111 4.446 4.550 0.010 0.000 0.293 133 Y C 2.484 178.402 175.900 0.030 0.000 1.129 133 Y CA 1.111 59.213 58.100 0.004 0.000 1.201 133 Y CB -0.517 37.934 38.460 -0.014 0.000 0.999 133 Y HN 0.073 nan 8.280 nan 0.000 0.541 134 K N -0.017 120.468 120.400 0.141 0.000 2.097 134 K HA -0.115 4.212 4.320 0.010 0.000 0.205 134 K C 1.926 178.572 176.600 0.076 0.000 1.050 134 K CA 1.236 57.586 56.287 0.105 0.000 0.938 134 K CB -0.347 32.180 32.500 0.045 0.000 0.718 134 K HN 0.283 nan 8.250 nan 0.000 0.442 135 L N 0.826 122.004 121.223 -0.075 0.000 2.056 135 L HA -0.161 4.185 4.340 0.010 0.000 0.207 135 L C 2.289 179.088 176.870 -0.118 0.000 1.078 135 L CA 0.960 55.685 54.840 -0.191 0.000 0.749 135 L CB -0.379 41.499 42.059 -0.300 0.000 0.901 135 L HN 0.159 nan 8.230 nan 0.000 0.433 136 L N -1.607 119.588 121.223 -0.047 0.000 2.042 136 L HA -0.261 4.085 4.340 0.010 0.000 0.210 136 L C 2.442 179.305 176.870 -0.011 0.000 1.076 136 L CA 1.609 56.425 54.840 -0.039 0.000 0.749 136 L CB -0.583 41.530 42.059 0.091 0.000 0.893 136 L HN 0.415 nan 8.230 nan 0.000 0.432 137 W N 0.738 121.996 121.300 -0.070 0.000 2.355 137 W HA -0.190 4.476 4.660 0.010 0.000 0.309 137 W C 2.300 178.770 176.519 -0.082 0.000 1.206 137 W CA 1.388 58.700 57.345 -0.056 0.000 1.284 137 W CB -0.206 29.241 29.460 -0.020 0.000 1.145 137 W HN -0.053 nan 8.180 nan 0.000 0.502 138 L N 0.828 122.099 121.223 0.080 0.000 2.042 138 L HA -0.259 4.088 4.340 0.010 0.000 0.210 138 L C 2.599 179.320 176.870 -0.248 0.000 1.076 138 L CA 2.059 56.872 54.840 -0.045 0.000 0.749 138 L CB -1.019 41.150 42.059 0.183 0.000 0.893 138 L HN -0.024 nan 8.230 nan 0.000 0.432 139 K N 0.075 120.165 120.400 -0.516 0.000 2.209 139 K HA -0.219 4.107 4.320 0.010 0.000 0.204 139 K C 1.911 178.212 176.600 -0.498 0.000 1.048 139 K CA 1.537 57.263 56.287 -0.936 0.000 0.940 139 K CB -0.076 31.622 32.500 -1.337 0.000 0.729 139 K HN 0.339 nan 8.250 nan 0.000 0.451 140 N N -0.058 118.394 118.700 -0.412 0.000 2.387 140 N HA -0.032 4.714 4.740 0.010 0.000 0.176 140 N C 0.820 176.104 175.510 -0.378 0.000 1.022 140 N CA 0.624 53.473 53.050 -0.335 0.000 0.883 140 N CB 0.352 38.677 38.487 -0.271 0.000 1.019 140 N HN 0.159 nan 8.380 nan 0.000 0.435 141 K N -0.305 119.742 120.400 -0.589 0.000 2.380 141 K HA 0.142 4.468 4.320 0.010 0.000 0.198 141 K C -0.018 176.292 176.600 -0.483 0.000 1.070 141 K CA 0.121 56.024 56.287 -0.641 0.000 1.040 141 K CB 0.972 32.793 32.500 -1.131 0.000 0.903 141 K HN -0.153 nan 8.250 nan 0.000 0.549 142 K N 1.276 121.449 120.400 -0.379 0.000 3.206 142 K HA 0.094 4.420 4.320 0.010 0.000 0.180 142 K C 0.507 177.093 176.600 -0.022 0.000 1.088 142 K CA -0.020 56.174 56.287 -0.155 0.000 0.872 142 K CB 0.701 33.156 32.500 -0.075 0.000 0.976 142 K HN -0.086 nan 8.250 nan 0.000 0.564 143 T N -0.782 113.742 114.554 -0.049 0.000 2.803 143 T HA -0.207 4.149 4.350 0.010 0.000 0.269 143 T C 1.594 176.353 174.700 0.098 0.000 1.052 143 T CA 2.141 64.253 62.100 0.021 0.000 1.136 143 T CB 0.143 68.997 68.868 -0.023 0.000 0.864 143 T HN 0.464 nan 8.240 nan 0.000 0.467 144 E N 0.682 120.917 120.200 0.059 0.000 2.017 144 E HA -0.099 4.257 4.350 0.010 0.000 0.193 144 E C 2.334 178.984 176.600 0.083 0.000 0.997 144 E CA 2.089 58.523 56.400 0.057 0.000 0.804 144 E CB -0.685 29.033 29.700 0.030 0.000 0.757 144 E HN 0.478 nan 8.360 nan 0.000 0.448 145 V N -0.763 119.214 119.914 0.106 0.000 2.343 145 V HA -0.182 3.944 4.120 0.010 0.000 0.247 145 V C 2.291 178.495 176.094 0.183 0.000 1.051 145 V CA 2.034 64.404 62.300 0.117 0.000 1.036 145 V CB -0.997 30.919 31.823 0.155 0.000 0.654 145 V HN 0.322 nan 8.190 nan 0.000 0.451 146 F N 1.647 121.690 119.950 0.156 0.000 2.126 146 F HA -0.139 4.395 4.527 0.010 0.000 0.299 146 F C 2.873 178.762 175.800 0.148 0.000 1.096 146 F CA 2.047 60.192 58.000 0.241 0.000 1.255 146 F CB -0.522 38.560 39.000 0.137 0.000 0.997 146 F HN 0.251 nan 8.300 nan 0.000 0.479 147 S N -0.216 115.609 115.700 0.209 0.000 2.370 147 S HA -0.265 4.211 4.470 0.010 0.000 0.226 147 S C 1.878 176.461 174.600 -0.028 0.000 1.033 147 S CA 1.786 60.041 58.200 0.092 0.000 1.011 147 S CB -0.423 62.827 63.200 0.082 0.000 0.852 147 S HN 0.712 nan 8.310 nan 0.000 0.457 148 Q N 0.320 120.090 119.800 -0.050 0.000 2.424 148 Q HA 0.419 4.766 4.340 0.010 0.000 0.204 148 Q C 0.749 176.622 176.000 -0.211 0.000 0.933 148 Q CA 0.366 56.106 55.803 -0.105 0.000 0.929 148 Q CB -0.203 28.489 28.738 -0.077 0.000 1.037 148 Q HN 0.506 nan 8.270 nan 0.000 0.511 149 A N 1.799 124.431 122.820 -0.314 0.000 2.522 149 A HA 0.017 4.343 4.320 0.010 0.000 0.256 149 A C 0.690 177.957 177.584 -0.529 0.000 1.086 149 A CA -0.146 51.528 52.037 -0.605 0.000 0.763 149 A CB 0.359 18.700 19.000 -1.098 0.000 1.024 149 A HN 0.171 nan 8.150 nan 0.000 0.502 150 Q N 0.863 120.379 119.800 -0.474 0.000 2.378 150 Q HA 0.155 4.501 4.340 0.010 0.000 0.216 150 Q C -0.286 175.489 176.000 -0.375 0.000 0.892 150 Q CA 0.855 56.454 55.803 -0.341 0.000 0.931 150 Q CB 0.619 29.216 28.738 -0.236 0.000 1.086 150 Q HN 0.640 nan 8.270 nan 0.000 0.528 151 K N -0.365 119.711 120.400 -0.540 0.000 2.501 151 K HA 0.323 4.650 4.320 0.010 0.000 0.252 151 K C -1.459 174.765 176.600 -0.627 0.000 0.934 151 K CA -0.228 55.788 56.287 -0.452 0.000 0.797 151 K CB 1.432 33.714 32.500 -0.364 0.000 1.270 151 K HN -0.055 nan 8.250 nan 0.000 0.431 152 W N 4.893 126.083 121.300 -0.183 0.000 2.411 152 W HA 0.541 5.207 4.660 0.009 0.000 0.317 152 W C 0.479 176.919 176.519 -0.131 0.000 1.030 152 W CA -0.639 56.614 57.345 -0.153 0.000 1.239 152 W CB 0.999 30.361 29.460 -0.163 0.000 1.304 152 W HN 0.461 nan 8.180 nan 0.000 0.437 153 I N 0.355 121.008 120.570 0.139 0.000 3.343 153 I HA 1.021 5.197 4.170 0.010 0.000 0.315 153 I C 0.067 176.239 176.117 0.092 0.000 1.153 153 I CA -1.343 59.998 61.300 0.068 0.000 0.952 153 I CB 1.641 39.638 38.000 -0.004 0.000 1.287 153 I HN 0.417 nan 8.210 nan 0.000 0.472 154 G N 0.299 109.143 108.800 0.073 0.000 2.597 154 G HA2 0.475 4.441 3.960 0.010 0.000 0.317 154 G HA3 0.475 4.441 3.960 0.010 0.000 0.317 154 G C 0.069 175.015 174.900 0.076 0.000 1.230 154 G CA -0.639 44.506 45.100 0.074 0.000 0.996 154 G HN 0.738 nan 8.290 nan 0.000 0.490 155 I N -0.241 120.373 120.570 0.074 0.000 2.286 155 I HA -0.081 4.095 4.170 0.010 0.000 0.248 155 I C 2.551 178.718 176.117 0.084 0.000 1.115 155 I CA 1.723 63.078 61.300 0.092 0.000 1.392 155 I CB -0.059 37.986 38.000 0.074 0.000 1.065 155 I HN 0.651 nan 8.210 nan 0.000 0.418 156 K N 0.267 120.690 120.400 0.037 0.000 2.057 156 K HA -0.232 4.094 4.320 0.010 0.000 0.207 156 K C 1.946 178.483 176.600 -0.105 0.000 1.049 156 K CA 1.782 58.039 56.287 -0.050 0.000 0.931 156 K CB -0.083 32.407 32.500 -0.016 0.000 0.714 156 K HN 0.255 nan 8.250 nan 0.000 0.440 157 E N -0.158 120.027 120.200 -0.026 0.000 2.085 157 E HA -0.216 4.140 4.350 0.010 0.000 0.194 157 E C 1.702 178.301 176.600 -0.001 0.000 0.994 157 E CA 1.454 57.840 56.400 -0.024 0.000 0.801 157 E CB -0.467 29.236 29.700 0.005 0.000 0.743 157 E HN 0.397 nan 8.360 nan 0.000 0.453 158 Y N 0.944 121.201 120.300 -0.070 0.000 2.081 158 Y HA -0.258 4.298 4.550 0.011 0.000 0.280 158 Y C 1.921 177.761 175.900 -0.100 0.000 1.163 158 Y CA 1.715 59.785 58.100 -0.050 0.000 1.135 158 Y CB -0.412 38.013 38.460 -0.058 0.000 0.970 158 Y HN -0.010 nan 8.280 nan 0.000 0.498 159 I N -0.050 120.402 120.570 -0.197 0.000 2.127 159 I HA -0.370 3.806 4.170 0.010 0.000 0.241 159 I C 2.405 178.268 176.117 -0.424 0.000 1.075 159 I CA 1.958 63.069 61.300 -0.314 0.000 1.334 159 I CB -0.509 37.327 38.000 -0.273 0.000 1.040 159 I HN 0.234 nan 8.210 nan 0.000 0.405 160 I N -0.183 120.140 120.570 -0.412 0.000 2.361 160 I HA -0.303 3.873 4.170 0.010 0.000 0.251 160 I C 2.434 178.429 176.117 -0.204 0.000 1.133 160 I CA 1.231 62.332 61.300 -0.332 0.000 1.413 160 I CB -0.326 37.498 38.000 -0.295 0.000 1.073 160 I HN 0.207 nan 8.210 nan 0.000 0.424 161 F N 1.935 121.673 119.950 -0.354 0.000 2.146 161 F HA -0.131 4.402 4.527 0.009 0.000 0.298 161 F C 2.598 178.155 175.800 -0.405 0.000 1.096 161 F CA 1.443 59.253 58.000 -0.316 0.000 1.275 161 F CB -0.300 38.529 39.000 -0.286 0.000 1.008 161 F HN -0.136 nan 8.300 nan 0.000 0.480 162 R N 0.590 120.619 120.500 -0.785 0.000 2.096 162 R HA -0.120 4.226 4.340 0.010 0.000 0.235 162 R C 2.326 178.186 176.300 -0.734 0.000 1.127 162 R CA 1.538 57.023 56.100 -1.025 0.000 0.968 162 R CB -1.187 28.083 30.300 -1.716 0.000 0.861 162 R HN 0.393 nan 8.270 nan 0.000 0.440 163 L N -0.052 120.860 121.223 -0.518 0.000 2.179 163 L HA -0.073 4.273 4.340 0.010 0.000 0.208 163 L C 2.052 178.833 176.870 -0.148 0.000 1.096 163 L CA 1.686 56.354 54.840 -0.285 0.000 0.779 163 L CB -0.248 41.739 42.059 -0.120 0.000 0.922 163 L HN 0.309 nan 8.230 nan 0.000 0.443 164 T N -5.950 108.488 114.554 -0.193 0.000 3.016 164 T HA 0.273 4.630 4.350 0.010 0.000 0.271 164 T C 1.367 175.978 174.700 -0.150 0.000 0.968 164 T CA 0.439 62.462 62.100 -0.128 0.000 0.891 164 T CB 0.988 69.816 68.868 -0.066 0.000 1.149 164 T HN 0.312 nan 8.240 nan 0.000 0.524 165 G N 1.834 110.454 108.800 -0.299 0.000 2.168 165 G HA2 -0.260 3.707 3.960 0.010 0.000 0.263 165 G HA3 -0.260 3.707 3.960 0.010 0.000 0.263 165 G C -0.114 174.848 174.900 0.103 0.000 0.977 165 G CA 0.479 45.396 45.100 -0.305 0.000 0.659 165 G HN 0.698 nan 8.290 nan 0.000 0.533 166 K N -0.475 120.013 120.400 0.147 0.000 2.156 166 K HA 0.691 5.018 4.320 0.010 0.000 0.254 166 K C -0.126 176.613 176.600 0.231 0.000 0.950 166 K CA -0.810 55.587 56.287 0.184 0.000 0.849 166 K CB 1.786 34.334 32.500 0.081 0.000 1.100 166 K HN 0.082 nan 8.250 nan 0.000 0.434 167 L N 3.629 124.910 121.223 0.097 0.000 2.313 167 L HA 0.381 4.727 4.340 0.010 0.000 0.273 167 L C -1.215 175.658 176.870 0.006 0.000 1.028 167 L CA -0.792 54.035 54.840 -0.021 0.000 0.871 167 L CB 1.208 43.160 42.059 -0.178 0.000 1.242 167 L HN 0.306 nan 8.230 nan 0.000 0.434 168 V N 1.507 121.431 119.914 0.016 0.000 2.760 168 V HA 0.493 4.619 4.120 0.010 0.000 0.309 168 V C -0.154 175.955 176.094 0.024 0.000 1.077 168 V CA -0.515 61.801 62.300 0.027 0.000 0.910 168 V CB 2.376 34.215 31.823 0.025 0.000 1.008 168 V HN 0.589 nan 8.190 nan 0.000 0.424 169 T N 2.423 117.003 114.554 0.043 0.000 2.932 169 T HA 0.472 4.828 4.350 0.010 0.000 0.289 169 T C -1.064 173.638 174.700 0.002 0.000 1.039 169 T CA -0.616 61.506 62.100 0.038 0.000 1.024 169 T CB 1.426 70.351 68.868 0.095 0.000 1.090 169 T HN 0.972 nan 8.240 nan 0.000 0.496 170 D N 1.699 122.091 120.400 -0.014 0.000 2.332 170 D HA 0.207 4.853 4.640 0.010 0.000 0.252 170 D C 0.887 177.131 176.300 -0.092 0.000 1.050 170 D CA -0.419 53.551 54.000 -0.050 0.000 0.970 170 D CB 1.095 41.870 40.800 -0.042 0.000 1.141 170 D HN 0.486 nan 8.370 nan 0.000 0.485 171 T N 0.092 114.565 114.554 -0.135 0.000 2.699 171 T HA -0.147 4.209 4.350 0.010 0.000 0.268 171 T C 1.398 175.998 174.700 -0.166 0.000 1.036 171 T CA 2.091 64.088 62.100 -0.172 0.000 1.147 171 T CB -0.568 68.186 68.868 -0.191 0.000 0.862 171 T HN 0.793 nan 8.240 nan 0.000 0.446 175 A N 0.413 123.179 122.820 -0.090 0.000 2.070 175 A HA 0.291 4.617 4.320 0.010 0.000 0.220 175 A C 1.927 179.303 177.584 -0.346 0.000 1.159 175 A CA 2.113 54.079 52.037 -0.118 0.000 0.656 175 A CB -0.792 18.171 19.000 -0.062 0.000 0.800 175 A HN 1.335 nan 8.150 nan 0.000 0.453 176 G N -1.082 107.482 108.800 -0.393 0.000 3.141 176 G HA2 0.149 4.115 3.960 0.010 0.000 0.218 176 G HA3 0.149 4.115 3.960 0.010 0.000 0.218 176 G C 1.304 176.228 174.900 0.041 0.000 1.170 176 G CA 1.180 46.049 45.100 -0.385 0.000 0.769 176 G HN 0.606 nan 8.290 nan 0.000 0.546 177 T N -3.267 111.314 114.554 0.046 0.000 2.978 177 T HA 0.304 4.660 4.350 0.010 0.000 0.262 177 T C 2.013 176.737 174.700 0.041 0.000 1.063 177 T CA 1.200 63.350 62.100 0.083 0.000 1.140 177 T CB -0.031 68.906 68.868 0.116 0.000 0.886 177 T HN 1.161 nan 8.240 nan 0.000 0.470 178 G N 1.202 110.032 108.800 0.050 0.000 2.132 178 G HA2 -0.195 3.771 3.960 0.010 0.000 0.234 178 G HA3 -0.195 3.771 3.960 0.010 0.000 0.234 178 G C 0.568 175.458 174.900 -0.016 0.000 0.989 178 G CA 0.330 45.429 45.100 -0.003 0.000 0.676 178 G HN 0.619 nan 8.290 nan 0.000 0.522 179 I N -0.981 119.643 120.570 0.091 0.000 4.403 179 I HA 0.338 4.514 4.170 0.010 0.000 0.331 179 I C 0.815 177.128 176.117 0.326 0.000 1.327 179 I CA -0.347 61.044 61.300 0.152 0.000 1.175 179 I CB 0.513 38.558 38.000 0.075 0.000 1.165 179 I HN 0.145 nan 8.210 nan 0.000 0.413 180 L N 2.233 123.630 121.223 0.289 0.000 2.313 180 L HA 0.266 4.612 4.340 0.010 0.000 0.282 180 L C 0.227 177.148 176.870 0.085 0.000 1.092 180 L CA 0.169 55.106 54.840 0.161 0.000 0.831 180 L CB 0.283 42.361 42.059 0.033 0.000 1.159 180 L HN 0.087 nan 8.230 nan 0.000 0.442 181 N N 3.374 122.109 118.700 0.060 0.000 2.483 181 N HA 0.061 4.807 4.740 0.010 0.000 0.264 181 N C 0.994 176.525 175.510 0.035 0.000 1.197 181 N CA -0.046 53.029 53.050 0.041 0.000 0.927 181 N CB 0.662 39.171 38.487 0.037 0.000 1.065 181 N HN 0.762 nan 8.380 nan 0.000 0.461 182 L N 2.823 124.068 121.223 0.037 0.000 2.093 182 L HA -0.123 4.223 4.340 0.010 0.000 0.208 182 L C 1.964 178.877 176.870 0.071 0.000 1.085 182 L CA 1.194 56.074 54.840 0.068 0.000 0.755 182 L CB -0.173 41.892 42.059 0.010 0.000 0.904 182 L HN 0.665 nan 8.230 nan 0.000 0.435 183 K N -0.884 119.532 120.400 0.027 0.000 2.137 183 K HA -0.058 4.268 4.320 0.010 0.000 0.202 183 K C 2.065 178.683 176.600 0.030 0.000 1.052 183 K CA 1.600 57.900 56.287 0.021 0.000 0.961 183 K CB 0.039 32.539 32.500 0.000 0.000 0.741 183 K HN 0.370 nan 8.250 nan 0.000 0.452 184 T N -1.416 113.148 114.554 0.017 0.000 3.051 184 T HA 0.128 4.484 4.350 0.010 0.000 0.255 184 T C 0.933 175.619 174.700 -0.023 0.000 1.085 184 T CA -0.087 62.013 62.100 -0.000 0.000 1.109 184 T CB -0.184 68.681 68.868 -0.006 0.000 0.921 184 T HN 0.183 nan 8.240 nan 0.000 0.488 185 L N 1.167 122.374 121.223 -0.025 0.000 3.843 185 L HA -0.179 4.167 4.340 0.010 0.000 0.411 185 L C 0.388 177.143 176.870 -0.193 0.000 1.205 185 L CA 0.486 55.275 54.840 -0.084 0.000 0.945 185 L CB -2.865 39.157 42.059 -0.063 0.000 1.929 185 L HN 0.555 nan 8.230 nan 0.000 0.934 186 T N -2.176 112.264 114.554 -0.190 0.000 2.831 186 T HA 0.545 4.901 4.350 0.010 0.000 0.287 186 T C -0.761 173.796 174.700 -0.238 0.000 1.070 186 T CA -0.491 61.404 62.100 -0.342 0.000 1.010 186 T CB 0.902 69.638 68.868 -0.221 0.000 1.264 186 T HN 0.237 nan 8.240 nan 0.000 0.532 187 W N 1.877 123.182 121.300 0.008 0.000 2.257 187 W HA 0.177 4.844 4.660 0.011 0.000 0.337 187 W C 0.930 177.456 176.519 0.011 0.000 1.321 187 W CA -0.426 56.924 57.345 0.008 0.000 1.267 187 W CB 0.216 29.682 29.460 0.010 0.000 1.187 187 W HN 0.499 nan 8.180 nan 0.000 0.565 188 D N 2.919 123.481 120.400 0.270 0.000 2.338 188 D HA -0.077 4.570 4.640 0.010 0.000 0.255 188 D C 1.021 177.406 176.300 0.142 0.000 1.237 188 D CA 0.042 54.134 54.000 0.153 0.000 0.883 188 D CB 1.239 42.108 40.800 0.114 0.000 1.087 188 D HN 0.459 nan 8.370 nan 0.000 0.485 189 Q N 3.627 123.496 119.800 0.114 0.000 2.096 189 Q HA -0.216 4.130 4.340 0.010 0.000 0.204 189 Q C 1.715 177.760 176.000 0.076 0.000 0.982 189 Q CA 1.778 57.638 55.803 0.095 0.000 0.850 189 Q CB -0.045 28.737 28.738 0.074 0.000 0.901 189 Q HN 0.711 nan 8.270 nan 0.000 0.422 190 E N -0.606 119.637 120.200 0.072 0.000 2.058 190 E HA -0.208 4.148 4.350 0.010 0.000 0.194 190 E C 1.864 178.516 176.600 0.085 0.000 0.997 190 E CA 1.429 57.870 56.400 0.069 0.000 0.801 190 E CB -0.193 29.551 29.700 0.073 0.000 0.746 190 E HN 0.456 nan 8.360 nan 0.000 0.450 191 L N 0.420 121.704 121.223 0.100 0.000 2.093 191 L HA -0.172 4.175 4.340 0.010 0.000 0.208 191 L C 2.573 179.485 176.870 0.069 0.000 1.085 191 L CA 0.634 55.539 54.840 0.109 0.000 0.755 191 L CB -0.329 41.778 42.059 0.080 0.000 0.904 191 L HN 0.258 nan 8.230 nan 0.000 0.435 192 L N -0.410 120.847 121.223 0.055 0.000 2.046 192 L HA -0.243 4.104 4.340 0.010 0.000 0.208 192 L C 2.232 179.123 176.870 0.035 0.000 1.077 192 L CA 1.139 55.994 54.840 0.026 0.000 0.747 192 L CB -0.604 41.474 42.059 0.032 0.000 0.896 192 L HN 0.287 nan 8.230 nan 0.000 0.432 193 D N 0.188 120.613 120.400 0.041 0.000 2.117 193 D HA -0.142 4.504 4.640 0.010 0.000 0.197 193 D C 2.254 178.565 176.300 0.019 0.000 0.987 193 D CA 1.253 55.271 54.000 0.030 0.000 0.829 193 D CB -0.078 40.737 40.800 0.026 0.000 0.961 193 D HN 0.319 nan 8.370 nan 0.000 0.460 194 I N 0.245 120.827 120.570 0.020 0.000 2.315 194 I HA -0.217 3.959 4.170 0.010 0.000 0.248 194 I C 1.918 178.034 176.117 -0.002 0.000 1.117 194 I CA 0.417 61.712 61.300 -0.009 0.000 1.404 194 I CB 0.036 38.037 38.000 0.002 0.000 1.071 194 I HN -0.004 nan 8.210 nan 0.000 0.419 195 L N 0.595 121.835 121.223 0.028 0.000 2.217 195 L HA -0.076 4.271 4.340 0.010 0.000 0.211 195 L C 1.087 178.018 176.870 0.101 0.000 1.107 195 L CA 1.135 55.995 54.840 0.033 0.000 0.783 195 L CB -0.993 41.081 42.059 0.024 0.000 0.919 195 L HN 0.263 nan 8.230 nan 0.000 0.442 196 K N -0.616 119.837 120.400 0.088 0.000 3.167 196 K HA -0.180 4.147 4.320 0.010 0.000 0.272 196 K C -0.382 176.325 176.600 0.179 0.000 1.137 196 K CA 0.174 56.539 56.287 0.130 0.000 0.800 196 K CB -1.368 31.220 32.500 0.147 0.000 1.253 196 K HN 0.067 nan 8.250 nan 0.000 0.497 197 I N 1.130 121.766 120.570 0.109 0.000 2.493 197 I HA 0.309 4.485 4.170 0.010 0.000 0.298 197 I C 0.506 176.629 176.117 0.009 0.000 0.998 197 I CA -0.720 60.616 61.300 0.060 0.000 1.137 197 I CB 1.697 39.704 38.000 0.011 0.000 1.310 197 I HN -0.068 nan 8.210 nan 0.000 0.445 198 K N 4.415 124.812 120.400 -0.006 0.000 2.110 198 K HA 0.243 4.569 4.320 0.010 0.000 0.263 198 K C 0.930 177.504 176.600 -0.042 0.000 0.975 198 K CA -0.599 55.681 56.287 -0.011 0.000 0.895 198 K CB 1.728 34.226 32.500 -0.003 0.000 1.060 198 K HN 0.493 nan 8.250 nan 0.000 0.448 199 K N 1.627 122.024 120.400 -0.004 0.000 2.127 199 K HA -0.235 4.091 4.320 0.010 0.000 0.208 199 K C 0.493 177.111 176.600 0.030 0.000 1.047 199 K CA 1.944 58.254 56.287 0.038 0.000 0.927 199 K CB 0.179 32.780 32.500 0.168 0.000 0.716 199 K HN 0.416 nan 8.250 nan 0.000 0.450 200 E N 0.708 120.917 120.200 0.015 0.000 2.409 200 E HA -0.116 4.240 4.350 0.010 0.000 0.198 200 E C 1.356 177.930 176.600 -0.044 0.000 1.024 200 E CA 0.928 57.327 56.400 -0.002 0.000 0.861 200 E CB 0.110 29.805 29.700 -0.008 0.000 0.788 200 E HN 0.476 nan 8.360 nan 0.000 0.521 201 Q N -0.398 119.363 119.800 -0.066 0.000 2.360 201 Q HA 0.203 4.549 4.340 0.010 0.000 0.202 201 Q C -0.198 175.741 176.000 -0.100 0.000 0.915 201 Q CA 0.081 55.827 55.803 -0.096 0.000 0.943 201 Q CB 0.461 29.161 28.738 -0.064 0.000 1.064 201 Q HN 0.211 nan 8.270 nan 0.000 0.511 202 L N 0.531 121.688 121.223 -0.109 0.000 2.341 202 L HA 0.518 4.864 4.340 0.010 0.000 0.267 202 L C -2.339 174.557 176.870 0.043 0.000 1.009 202 L CA -2.637 52.130 54.840 -0.121 0.000 0.819 202 L CB 1.340 43.115 42.059 -0.474 0.000 1.323 202 L HN -0.168 nan 8.230 nan 0.000 0.425 203 P HA 0.087 nan 4.420 nan 0.000 0.270 203 P C -0.994 176.446 177.300 0.234 0.000 1.223 203 P CA -0.303 62.868 63.100 0.119 0.000 0.785 203 P CB 0.430 32.196 31.700 0.110 0.000 0.923 204 K N 1.291 121.774 120.400 0.139 0.000 2.258 204 K HA 0.279 4.605 4.320 0.010 0.000 0.264 204 K C 0.083 176.722 176.600 0.066 0.000 1.007 204 K CA -0.168 56.188 56.287 0.115 0.000 0.941 204 K CB 0.151 32.686 32.500 0.059 0.000 0.966 204 K HN 0.386 nan 8.250 nan 0.000 0.480 205 I N 2.079 122.634 120.570 -0.025 0.000 2.336 205 I HA 0.351 4.527 4.170 0.010 0.000 0.292 205 I C -0.026 176.043 176.117 -0.081 0.000 0.991 205 I CA -0.338 60.901 61.300 -0.102 0.000 1.227 205 I CB 1.625 39.454 38.000 -0.285 0.000 1.366 205 I HN 0.627 nan 8.210 nan 0.000 0.466 206 A N 5.402 128.186 122.820 -0.060 0.000 2.483 206 A HA 0.670 4.996 4.320 0.010 0.000 0.286 206 A C -0.926 176.622 177.584 -0.060 0.000 1.207 206 A CA -0.751 51.257 52.037 -0.050 0.000 0.764 206 A CB 1.109 20.097 19.000 -0.019 0.000 1.341 206 A HN 0.667 nan 8.150 nan 0.000 0.428 207 Q N 0.048 119.818 119.800 -0.051 0.000 2.394 207 Q HA 0.234 4.580 4.340 0.010 0.000 0.248 207 Q C -1.847 174.132 176.000 -0.035 0.000 0.992 207 Q CA -1.525 54.243 55.803 -0.057 0.000 0.888 207 Q CB 0.327 29.038 28.738 -0.046 0.000 1.257 207 Q HN 0.381 nan 8.270 nan 0.000 0.462 208 P HA -0.188 nan 4.420 nan 0.000 0.218 208 P C 0.860 178.178 177.300 0.029 0.000 1.146 208 P CA 1.461 64.563 63.100 0.003 0.000 0.813 208 P CB 0.075 31.778 31.700 0.005 0.000 0.778 209 T N -4.636 109.923 114.554 0.008 0.000 3.129 209 T HA 0.056 4.412 4.350 0.010 0.000 0.251 209 T C 0.704 175.408 174.700 0.007 0.000 1.117 209 T CA -0.239 61.862 62.100 0.001 0.000 1.034 209 T CB -0.447 68.405 68.868 -0.025 0.000 0.968 209 T HN 0.016 nan 8.240 nan 0.000 0.526 210 K N 2.002 122.410 120.400 0.015 0.000 2.451 210 K HA 0.237 4.564 4.320 0.010 0.000 0.280 210 K C -0.640 175.988 176.600 0.047 0.000 1.020 210 K CA -0.307 55.992 56.287 0.021 0.000 1.008 210 K CB 0.438 32.949 32.500 0.018 0.000 0.917 210 K HN 0.013 nan 8.250 nan 0.000 0.478 211 V N 6.490 126.430 119.914 0.045 0.000 2.432 211 V HA 0.144 4.271 4.120 0.010 0.000 0.271 211 V C 0.127 176.293 176.094 0.120 0.000 1.046 211 V CA -0.602 61.746 62.300 0.080 0.000 0.945 211 V CB 0.732 32.578 31.823 0.038 0.000 0.992 211 V HN 0.616 nan 8.190 nan 0.000 0.471 212 I N 6.301 126.964 120.570 0.155 0.000 2.297 212 I HA 0.454 4.630 4.170 0.010 0.000 0.291 212 I C -0.424 175.832 176.117 0.231 0.000 1.033 212 I CA -0.135 61.257 61.300 0.153 0.000 1.253 212 I CB 0.337 38.397 38.000 0.100 0.000 1.396 212 I HN 0.474 nan 8.210 nan 0.000 0.476 213 F N 8.299 128.269 119.950 0.034 0.000 2.588 213 F HA 0.745 5.280 4.527 0.013 0.000 0.310 213 F C -2.515 173.300 175.800 0.025 0.000 1.082 213 F CA -1.641 56.379 58.000 0.033 0.000 0.929 213 F CB 2.296 41.314 39.000 0.029 0.000 1.254 213 F HN 0.263 nan 8.300 nan 0.000 0.455 214 P HA 0.524 nan 4.420 nan 0.000 0.285 214 P C -0.902 176.120 177.300 -0.462 0.000 1.285 214 P CA -0.539 61.920 63.100 -1.068 0.000 0.854 214 P CB 1.373 32.466 31.700 -1.011 0.000 1.180 215 I N 0.408 120.734 120.570 -0.408 0.000 2.575 215 I HA 0.121 4.298 4.170 0.010 0.000 0.285 215 I C 0.978 177.027 176.117 -0.114 0.000 1.085 215 I CA -0.478 60.734 61.300 -0.146 0.000 1.403 215 I CB 0.331 38.307 38.000 -0.040 0.000 1.409 215 I HN 0.124 nan 8.210 nan 0.000 0.557 216 K N 3.855 124.248 120.400 -0.013 0.000 2.401 216 K HA 0.081 4.408 4.320 0.010 0.000 0.278 216 K C 1.091 177.684 176.600 -0.011 0.000 1.018 216 K CA -0.112 56.168 56.287 -0.011 0.000 0.981 216 K CB 0.636 33.158 32.500 0.036 0.000 0.933 216 K HN 0.637 nan 8.250 nan 0.000 0.477 217 T N 1.072 115.593 114.554 -0.056 0.000 2.699 217 T HA -0.267 4.090 4.350 0.010 0.000 0.268 217 T C 1.658 176.310 174.700 -0.080 0.000 1.036 217 T CA 1.697 63.764 62.100 -0.055 0.000 1.147 217 T CB -0.157 68.676 68.868 -0.059 0.000 0.862 217 T HN 0.764 nan 8.240 nan 0.000 0.446 218 E N 0.399 120.505 120.200 -0.156 0.000 2.065 218 E HA -0.243 4.113 4.350 0.010 0.000 0.201 218 E C 1.704 178.124 176.600 -0.300 0.000 1.016 218 E CA 1.619 57.841 56.400 -0.297 0.000 0.818 218 E CB -0.280 29.110 29.700 -0.516 0.000 0.749 218 E HN 0.679 nan 8.360 nan 0.000 0.453 219 Y N -0.415 119.880 120.300 -0.008 0.000 2.544 219 Y HA -0.005 4.551 4.550 0.010 0.000 0.286 219 Y C 2.086 177.998 175.900 0.019 0.000 1.141 219 Y CA 0.254 58.366 58.100 0.020 0.000 1.299 219 Y CB 0.124 38.622 38.460 0.063 0.000 1.030 219 Y HN -0.015 nan 8.280 nan 0.000 0.543 220 V N 0.249 120.227 119.914 0.106 0.000 2.358 220 V HA -0.290 3.836 4.120 0.010 0.000 0.246 220 V C 1.982 178.116 176.094 0.067 0.000 1.047 220 V CA 1.901 64.247 62.300 0.077 0.000 1.035 220 V CB -0.366 31.478 31.823 0.035 0.000 0.658 220 V HN 0.381 nan 8.190 nan 0.000 0.452 221 K N 0.161 120.577 120.400 0.027 0.000 2.007 221 K HA -0.115 4.211 4.320 0.010 0.000 0.206 221 K C 2.206 178.818 176.600 0.020 0.000 1.047 221 K CA 1.208 57.504 56.287 0.015 0.000 0.937 221 K CB -0.276 32.205 32.500 -0.032 0.000 0.718 221 K HN 0.330 nan 8.250 nan 0.000 0.438 222 K N 0.914 121.309 120.400 -0.008 0.000 2.147 222 K HA -0.062 4.264 4.320 0.010 0.000 0.205 222 K C 1.964 178.571 176.600 0.013 0.000 1.049 222 K CA 1.032 57.287 56.287 -0.054 0.000 0.936 222 K CB -0.057 32.441 32.500 -0.004 0.000 0.722 222 K HN 0.148 nan 8.250 nan 0.000 0.446 223 L N -0.696 120.612 121.223 0.141 0.000 2.446 223 L HA 0.105 4.451 4.340 0.010 0.000 0.219 223 L C 1.048 178.092 176.870 0.290 0.000 1.116 223 L CA 0.455 55.420 54.840 0.209 0.000 0.844 223 L CB -0.082 42.075 42.059 0.163 0.000 0.970 223 L HN 0.416 nan 8.230 nan 0.000 0.457 224 G N 1.822 110.777 108.800 0.259 0.000 2.149 224 G HA2 -0.242 3.725 3.960 0.010 0.000 0.235 224 G HA3 -0.242 3.725 3.960 0.010 0.000 0.235 224 G C 0.167 175.131 174.900 0.107 0.000 1.018 224 G CA 0.487 45.722 45.100 0.225 0.000 0.728 224 G HN 0.442 nan 8.290 nan 0.000 0.508 225 I N -3.727 116.904 120.570 0.101 0.000 3.449 225 I HA 0.890 5.066 4.170 0.010 0.000 0.294 225 I C -0.192 175.968 176.117 0.072 0.000 1.163 225 I CA -1.410 59.937 61.300 0.078 0.000 1.010 225 I CB 1.179 39.231 38.000 0.087 0.000 1.307 225 I HN -0.148 nan 8.210 nan 0.000 0.518 226 D N 0.571 121.015 120.400 0.074 0.000 2.388 226 D HA 0.231 4.877 4.640 0.010 0.000 0.254 226 D C 0.931 177.278 176.300 0.078 0.000 1.111 226 D CA -0.210 53.834 54.000 0.073 0.000 0.993 226 D CB 1.658 42.507 40.800 0.081 0.000 1.118 226 D HN 0.657 nan 8.370 nan 0.000 0.502 227 S N -0.560 115.184 115.700 0.073 0.000 2.555 227 S HA -0.121 4.355 4.470 0.010 0.000 0.230 227 S C 0.609 175.305 174.600 0.160 0.000 0.978 227 S CA 0.517 58.760 58.200 0.071 0.000 0.934 227 S CB -0.256 62.978 63.200 0.055 0.000 0.766 227 S HN 0.479 nan 8.310 nan 0.000 0.533 228 D N -0.071 120.438 120.400 0.182 0.000 2.398 228 D HA 0.107 4.754 4.640 0.010 0.000 0.210 228 D C -0.001 176.461 176.300 0.270 0.000 1.094 228 D CA -0.106 54.053 54.000 0.266 0.000 0.839 228 D CB -0.854 40.037 40.800 0.152 0.000 0.963 228 D HN 0.133 nan 8.370 nan 0.000 0.506 229 T N 1.335 116.012 114.554 0.205 0.000 2.866 229 T HA 0.055 4.412 4.350 0.010 0.000 0.293 229 T C 0.191 175.053 174.700 0.270 0.000 1.005 229 T CA 0.248 62.458 62.100 0.183 0.000 1.162 229 T CB 0.478 69.426 68.868 0.133 0.000 0.968 229 T HN 0.001 nan 8.240 nan 0.000 0.530 230 K N 2.756 123.299 120.400 0.237 0.000 2.110 230 K HA 0.460 4.787 4.320 0.010 0.000 0.263 230 K C -0.036 176.700 176.600 0.227 0.000 0.975 230 K CA -0.690 55.768 56.287 0.285 0.000 0.895 230 K CB 0.933 33.538 32.500 0.175 0.000 1.060 230 K HN 0.401 nan 8.250 nan 0.000 0.448 231 I N 4.143 124.871 120.570 0.263 0.000 2.342 231 I HA 0.190 4.367 4.170 0.010 0.000 0.291 231 I C -0.220 176.045 176.117 0.246 0.000 1.010 231 I CA -0.583 60.892 61.300 0.290 0.000 1.308 231 I CB 0.783 38.953 38.000 0.284 0.000 1.400 231 I HN 0.424 nan 8.210 nan 0.000 0.488 232 I N 6.864 127.586 120.570 0.253 0.000 2.331 232 I HA 0.074 4.250 4.170 0.010 0.000 0.292 232 I C 1.078 177.364 176.117 0.282 0.000 0.998 232 I CA -0.592 60.823 61.300 0.192 0.000 1.267 232 I CB 1.161 39.226 38.000 0.107 0.000 1.386 232 I HN 0.468 nan 8.210 nan 0.000 0.476 233 L N 6.558 127.888 121.223 0.178 0.000 2.021 233 L HA -0.020 4.326 4.340 0.010 0.000 0.215 233 L C 1.232 178.221 176.870 0.199 0.000 1.074 233 L CA 2.163 57.091 54.840 0.146 0.000 0.760 233 L CB -0.718 41.384 42.059 0.072 0.000 0.889 233 L HN 1.006 nan 8.230 nan 0.000 0.433 234 G N -2.232 106.680 108.800 0.187 0.000 2.632 234 G HA2 0.261 4.227 3.960 0.010 0.000 0.224 234 G HA3 0.261 4.227 3.960 0.010 0.000 0.224 234 G C -0.378 174.607 174.900 0.142 0.000 1.341 234 G CA -0.195 45.028 45.100 0.205 0.000 0.880 234 G HN 1.349 nan 8.290 nan 0.000 0.566 235 A N -1.677 121.240 122.820 0.161 0.000 2.515 235 A HA 1.034 5.361 4.320 0.010 0.000 0.299 235 A C 0.329 177.992 177.584 0.131 0.000 1.179 235 A CA 0.930 53.040 52.037 0.121 0.000 0.656 235 A CB 0.497 19.604 19.000 0.178 0.000 1.306 235 A HN 2.625 nan 8.150 nan 0.000 0.459 236 S N -0.089 115.675 115.700 0.107 0.000 2.603 236 S HA 0.354 4.830 4.470 0.010 0.000 0.268 236 S C 0.582 175.252 174.600 0.117 0.000 1.317 236 S CA 0.471 58.713 58.200 0.070 0.000 1.012 236 S CB 0.883 64.081 63.200 -0.003 0.000 0.926 236 S HN 0.839 nan 8.310 nan 0.000 0.539 237 D N 2.028 122.472 120.400 0.073 0.000 2.144 237 D HA -0.045 4.602 4.640 0.010 0.000 0.199 237 D C 1.904 178.253 176.300 0.082 0.000 0.984 237 D CA 1.530 55.576 54.000 0.076 0.000 0.834 237 D CB -1.265 39.569 40.800 0.056 0.000 0.955 237 D HN 0.666 nan 8.370 nan 0.000 0.465 238 G N -0.405 108.450 108.800 0.091 0.000 2.421 238 G HA2 -0.331 3.635 3.960 0.010 0.000 0.216 238 G HA3 -0.331 3.635 3.960 0.010 0.000 0.216 238 G C 1.583 176.598 174.900 0.193 0.000 1.171 238 G CA 0.975 46.165 45.100 0.150 0.000 0.775 238 G HN 0.376 nan 8.290 nan 0.000 0.543 239 Y N 1.114 121.470 120.300 0.092 0.000 2.133 239 Y HA 0.050 4.604 4.550 0.007 0.000 0.287 239 Y C 2.611 178.545 175.900 0.057 0.000 1.134 239 Y CA 1.275 59.428 58.100 0.087 0.000 1.133 239 Y CB -0.346 38.154 38.460 0.065 0.000 0.987 239 Y HN 0.090 nan 8.280 nan 0.000 0.502 240 L N -0.879 120.357 121.223 0.021 0.000 2.046 240 L HA -0.234 4.112 4.340 0.010 0.000 0.208 240 L C 2.499 179.305 176.870 -0.105 0.000 1.077 240 L CA 1.577 56.370 54.840 -0.080 0.000 0.747 240 L CB -0.773 41.328 42.059 0.070 0.000 0.896 240 L HN 0.145 nan 8.230 nan 0.000 0.432 241 S N -0.858 114.822 115.700 -0.035 0.000 2.419 241 S HA -0.158 4.318 4.470 0.010 0.000 0.233 241 S C 1.953 176.514 174.600 -0.065 0.000 1.016 241 S CA 1.697 59.880 58.200 -0.029 0.000 0.974 241 S CB -0.204 63.003 63.200 0.013 0.000 0.786 241 S HN 0.484 nan 8.310 nan 0.000 0.492 242 T N 3.010 117.506 114.554 -0.097 0.000 2.735 242 T HA 0.053 4.409 4.350 0.010 0.000 0.256 242 T C 1.944 176.533 174.700 -0.186 0.000 1.042 242 T CA 1.325 63.360 62.100 -0.108 0.000 1.147 242 T CB -0.452 68.377 68.868 -0.065 0.000 0.865 242 T HN 0.653 nan 8.240 nan 0.000 0.421 243 I N 0.332 120.702 120.570 -0.333 0.000 2.493 243 I HA 0.117 4.293 4.170 0.010 0.000 0.254 243 I C 2.450 178.417 176.117 -0.250 0.000 1.160 243 I CA 1.320 62.424 61.300 -0.327 0.000 1.445 243 I CB -0.827 36.903 38.000 -0.451 0.000 1.086 243 I HN 0.209 nan 8.210 nan 0.000 0.433 244 G N 1.596 110.278 108.800 -0.197 0.000 2.559 244 G HA2 -0.079 3.887 3.960 0.010 0.000 0.216 244 G HA3 -0.079 3.887 3.960 0.010 0.000 0.216 244 G C 1.366 176.203 174.900 -0.106 0.000 1.126 244 G CA 0.961 45.980 45.100 -0.134 0.000 0.778 244 G HN 0.539 nan 8.290 nan 0.000 0.543 245 V N -2.903 116.944 119.914 -0.111 0.000 3.214 245 V HA 0.372 4.498 4.120 0.010 0.000 0.330 245 V C 0.762 176.783 176.094 -0.121 0.000 1.403 245 V CA -0.007 62.239 62.300 -0.091 0.000 1.143 245 V CB -0.535 31.250 31.823 -0.064 0.000 1.098 245 V HN 0.199 nan 8.190 nan 0.000 0.463 246 N N 0.876 119.476 118.700 -0.166 0.000 2.741 246 N HA -0.207 4.539 4.740 0.010 0.000 0.250 246 N C 0.208 175.566 175.510 -0.253 0.000 1.115 246 N CA 0.998 53.919 53.050 -0.214 0.000 0.724 246 N CB -1.254 37.108 38.487 -0.207 0.000 1.090 246 N HN 1.110 nan 8.380 nan 0.000 0.558 247 A N 0.826 123.538 122.820 -0.180 0.000 3.016 247 A HA 0.473 4.799 4.320 0.010 0.000 0.303 247 A C 1.571 179.100 177.584 -0.092 0.000 1.507 247 A CA -0.412 51.549 52.037 -0.128 0.000 1.196 247 A CB -0.800 18.187 19.000 -0.022 0.000 1.169 247 A HN 0.527 nan 8.150 nan 0.000 0.544 248 I N -2.080 118.423 120.570 -0.112 0.000 3.603 248 I HA 0.255 4.431 4.170 0.010 0.000 0.297 248 I C 0.002 176.157 176.117 0.064 0.000 1.269 248 I CA -0.041 61.233 61.300 -0.044 0.000 1.361 248 I CB -0.135 37.823 38.000 -0.071 0.000 1.063 248 I HN 0.425 nan 8.210 nan 0.000 0.448 249 D N -0.292 120.142 120.400 0.057 0.000 2.664 249 D HA 0.188 4.835 4.640 0.010 0.000 0.292 249 D C 0.683 177.047 176.300 0.107 0.000 1.214 249 D CA -0.063 53.997 54.000 0.100 0.000 0.932 249 D CB 0.929 41.784 40.800 0.090 0.000 1.420 249 D HN -0.059 nan 8.370 nan 0.000 0.471 250 S N -1.205 114.549 115.700 0.089 0.000 2.507 250 S HA -0.114 4.362 4.470 0.010 0.000 0.235 250 S C 0.710 175.352 174.600 0.069 0.000 0.988 250 S CA 0.600 58.841 58.200 0.068 0.000 0.944 250 S CB -0.421 62.805 63.200 0.043 0.000 0.762 250 S HN 0.433 nan 8.310 nan 0.000 0.526 251 D N 1.074 121.540 120.400 0.109 0.000 2.312 251 D HA 0.079 4.725 4.640 0.010 0.000 0.211 251 D C 0.083 176.392 176.300 0.016 0.000 0.964 251 D CA 0.913 54.964 54.000 0.085 0.000 0.877 251 D CB -0.042 40.842 40.800 0.139 0.000 0.924 251 D HN 0.554 nan 8.370 nan 0.000 0.515 252 H N -1.773 117.296 119.070 -0.001 0.000 2.731 252 H HA 0.474 5.038 4.556 0.014 0.000 0.368 252 H C -0.522 174.798 175.328 -0.014 0.000 1.168 252 H CA -0.652 55.388 56.048 -0.013 0.000 1.181 252 H CB 1.526 31.273 29.762 -0.025 0.000 1.743 252 H HN -0.157 nan 8.280 nan 0.000 0.547 253 C N 1.013 120.363 119.300 0.083 0.000 2.667 253 C HA 0.864 5.330 4.460 0.010 0.000 0.323 253 C C -0.108 174.895 174.990 0.022 0.000 1.214 253 C CA -0.640 58.401 59.018 0.039 0.000 1.721 253 C CB 1.190 28.942 27.740 0.019 0.000 2.275 253 C HN 0.881 nan 8.230 nan 0.000 0.491 254 A N 1.766 124.589 122.820 0.005 0.000 2.303 254 A HA 0.744 5.071 4.320 0.010 0.000 0.320 254 A C -1.113 176.453 177.584 -0.030 0.000 1.192 254 A CA -0.266 51.761 52.037 -0.017 0.000 0.821 254 A CB 0.641 19.633 19.000 -0.013 0.000 1.188 254 A HN 0.861 nan 8.150 nan 0.000 0.492 255 L N 2.865 124.046 121.223 -0.070 0.000 2.319 255 L HA 0.618 4.964 4.340 0.010 0.000 0.281 255 L C -0.617 176.213 176.870 -0.066 0.000 1.005 255 L CA -0.238 54.551 54.840 -0.084 0.000 0.828 255 L CB 1.244 43.182 42.059 -0.201 0.000 1.227 255 L HN 0.737 nan 8.230 nan 0.000 0.415 256 N N 3.574 122.257 118.700 -0.029 0.000 2.321 256 N HA 0.740 5.486 4.740 0.010 0.000 0.299 256 N C -1.846 173.663 175.510 -0.002 0.000 1.048 256 N CA -0.504 52.535 53.050 -0.018 0.000 0.836 256 N CB 1.982 40.466 38.487 -0.004 0.000 1.269 256 N HN 0.320 nan 8.380 nan 0.000 0.486 257 V N 2.494 122.416 119.914 0.014 0.000 2.445 257 V HA 0.647 4.773 4.120 0.010 0.000 0.283 257 V C 0.697 176.828 176.094 0.063 0.000 1.014 257 V CA -0.539 61.785 62.300 0.041 0.000 0.852 257 V CB 0.719 32.611 31.823 0.114 0.000 1.021 257 V HN 0.848 nan 8.190 nan 0.000 0.435 258 G N 2.483 111.301 108.800 0.031 0.000 3.410 258 G HA2 0.287 4.254 3.960 0.010 0.000 0.189 258 G HA3 0.287 4.254 3.960 0.010 0.000 0.189 258 G C 1.016 175.931 174.900 0.025 0.000 1.404 258 G CA 0.786 45.910 45.100 0.040 0.000 0.898 258 G HN 0.427 nan 8.290 nan 0.000 0.650 259 T N 0.945 115.520 114.554 0.035 0.000 2.684 259 T HA -0.007 4.349 4.350 0.010 0.000 0.267 259 T C 1.583 176.288 174.700 0.009 0.000 1.036 259 T CA 1.747 63.869 62.100 0.037 0.000 1.148 259 T CB -0.438 68.467 68.868 0.061 0.000 0.863 259 T HN 0.644 nan 8.240 nan 0.000 0.436 260 S N -0.375 115.333 115.700 0.014 0.000 2.766 260 S HA 0.777 5.253 4.470 0.010 0.000 0.307 260 S C -0.068 174.516 174.600 -0.026 0.000 1.121 260 S CA -0.645 57.550 58.200 -0.009 0.000 0.980 260 S CB 2.112 65.322 63.200 0.016 0.000 1.159 260 S HN 0.455 nan 8.310 nan 0.000 0.546 261 G N -0.989 107.788 108.800 -0.038 0.000 2.816 261 G HA2 0.827 4.793 3.960 0.010 0.000 0.288 261 G HA3 0.827 4.793 3.960 0.010 0.000 0.288 261 G C -1.281 173.610 174.900 -0.015 0.000 1.334 261 G CA -0.751 44.334 45.100 -0.025 0.000 0.978 261 G HN 1.420 nan 8.290 nan 0.000 0.493 262 A N -0.652 122.171 122.820 0.005 0.000 2.540 262 A HA 0.627 4.953 4.320 0.010 0.000 0.297 262 A C -1.799 175.799 177.584 0.024 0.000 1.056 262 A CA -0.422 51.630 52.037 0.024 0.000 0.700 262 A CB 1.713 20.749 19.000 0.059 0.000 1.280 262 A HN 1.213 nan 8.150 nan 0.000 0.398 263 I N 1.332 121.912 120.570 0.016 0.000 2.404 263 I HA 0.776 4.952 4.170 0.010 0.000 0.293 263 I C -0.133 175.963 176.117 -0.034 0.000 0.992 263 I CA -0.196 61.111 61.300 0.010 0.000 1.149 263 I CB 1.090 39.120 38.000 0.049 0.000 1.315 263 I HN 0.742 nan 8.210 nan 0.000 0.446 264 R N 3.826 124.316 120.500 -0.015 0.000 2.774 264 R HA 0.770 5.116 4.340 0.010 0.000 0.272 264 R C -1.203 175.094 176.300 -0.005 0.000 1.000 264 R CA -1.060 55.029 56.100 -0.018 0.000 0.906 264 R CB 2.230 32.579 30.300 0.081 0.000 1.227 264 R HN 0.572 nan 8.270 nan 0.000 0.468 265 T N 0.817 115.370 114.554 -0.002 0.000 2.840 265 T HA 0.554 4.910 4.350 0.010 0.000 0.317 265 T C -1.562 173.182 174.700 0.074 0.000 1.401 265 T CA -0.555 61.559 62.100 0.024 0.000 1.028 265 T CB 1.232 70.092 68.868 -0.013 0.000 1.317 265 T HN 0.399 nan 8.240 nan 0.000 0.495 266 I N 3.591 124.224 120.570 0.105 0.000 2.406 266 I HA 0.610 4.786 4.170 0.010 0.000 0.290 266 I C 0.027 176.233 176.117 0.147 0.000 0.999 266 I CA -0.929 60.473 61.300 0.170 0.000 1.124 266 I CB 1.745 39.873 38.000 0.213 0.000 1.289 266 I HN 0.495 nan 8.210 nan 0.000 0.441 267 V N 1.535 121.552 119.914 0.172 0.000 3.113 267 V HA 0.542 4.669 4.120 0.010 0.000 0.316 267 V C 0.052 176.246 176.094 0.166 0.000 1.125 267 V CA -0.654 61.722 62.300 0.126 0.000 1.026 267 V CB 1.851 33.724 31.823 0.083 0.000 1.080 267 V HN 0.789 nan 8.190 nan 0.000 0.444 268 D N -0.258 120.192 120.400 0.084 0.000 2.339 268 D HA 0.117 4.763 4.640 0.010 0.000 0.217 268 D C 0.456 176.836 176.300 0.133 0.000 1.050 268 D CA 0.412 54.450 54.000 0.064 0.000 0.856 268 D CB 0.097 40.882 40.800 -0.025 0.000 0.922 268 D HN 0.904 nan 8.370 nan 0.000 0.518 269 Q N -1.398 118.408 119.800 0.011 0.000 2.511 269 Q HA 0.519 4.865 4.340 0.010 0.000 0.289 269 Q C -3.237 172.315 176.000 -0.747 0.000 1.021 269 Q CA -2.299 53.295 55.803 -0.348 0.000 0.785 269 Q CB 1.314 29.944 28.738 -0.180 0.000 1.472 269 Q HN -0.261 nan 8.270 nan 0.000 0.411 270 P HA 0.049 nan 4.420 nan 0.000 0.266 270 P C -1.281 175.856 177.300 -0.271 0.000 1.195 270 P CA 0.194 62.882 63.100 -0.687 0.000 0.768 270 P CB 0.412 31.835 31.700 -0.462 0.000 0.838 271 K N 3.618 123.959 120.400 -0.099 0.000 2.588 271 K HA 0.466 4.792 4.320 0.010 0.000 0.250 271 K C -1.035 175.635 176.600 0.117 0.000 0.972 271 K CA -0.679 55.617 56.287 0.015 0.000 0.821 271 K CB 1.013 33.546 32.500 0.056 0.000 1.249 271 K HN 0.471 nan 8.250 nan 0.000 0.442 272 I N -0.608 119.990 120.570 0.048 0.000 2.846 272 I HA 0.552 4.728 4.170 0.010 0.000 0.307 272 I C -0.818 175.307 176.117 0.015 0.000 1.053 272 I CA -0.949 60.339 61.300 -0.021 0.000 1.050 272 I CB 1.961 39.816 38.000 -0.241 0.000 1.239 272 I HN 0.490 nan 8.210 nan 0.000 0.439 273 D N 3.996 124.306 120.400 -0.151 0.000 2.232 273 D HA 0.406 5.053 4.640 0.010 0.000 0.242 273 D C -1.836 174.439 176.300 -0.041 0.000 1.093 273 D CA -2.172 51.700 54.000 -0.212 0.000 0.845 273 D CB 1.890 42.258 40.800 -0.719 0.000 1.124 273 D HN 0.273 nan 8.370 nan 0.000 0.467 274 P HA -0.141 nan 4.420 nan 0.000 0.217 274 P C 0.429 177.688 177.300 -0.068 0.000 1.148 274 P CA 1.134 64.228 63.100 -0.009 0.000 0.834 274 P CB 0.150 31.850 31.700 0.000 0.000 0.783 275 S N -2.096 113.532 115.700 -0.120 0.000 2.572 275 S HA 0.513 4.989 4.470 0.010 0.000 0.228 275 S C 1.013 175.407 174.600 -0.344 0.000 0.963 275 S CA 0.057 58.158 58.200 -0.166 0.000 0.939 275 S CB -0.582 62.564 63.200 -0.089 0.000 0.804 275 S HN 0.218 nan 8.310 nan 0.000 0.480 276 A N 1.620 124.104 122.820 -0.560 0.000 2.704 276 A HA -0.210 4.117 4.320 0.010 0.000 0.299 276 A C 1.586 178.678 177.584 -0.820 0.000 1.507 276 A CA 0.919 52.230 52.037 -1.210 0.000 0.776 276 A CB -2.508 15.585 19.000 -1.512 0.000 1.027 276 A HN 1.320 nan 8.150 nan 0.000 0.475 277 S N -1.619 113.821 115.700 -0.433 0.000 2.548 277 S HA 0.434 4.910 4.470 0.010 0.000 0.215 277 S C 0.317 175.088 174.600 0.284 0.000 0.976 277 S CA 0.727 58.929 58.200 0.004 0.000 0.908 277 S CB -0.262 63.022 63.200 0.139 0.000 0.781 277 S HN 1.865 nan 8.310 nan 0.000 0.519 278 Y N -0.203 120.141 120.300 0.074 0.000 2.562 278 Y HA 0.761 5.318 4.550 0.011 0.000 0.345 278 Y C -0.575 175.367 175.900 0.070 0.000 1.045 278 Y CA -3.084 55.045 58.100 0.048 0.000 1.028 278 Y CB 0.199 38.605 38.460 -0.089 0.000 1.297 278 Y HN 0.033 nan 8.280 nan 0.000 0.463 279 F N 0.320 120.429 119.950 0.265 0.000 2.378 279 F HA 0.648 5.180 4.527 0.009 0.000 0.319 279 F C -0.295 175.523 175.800 0.030 0.000 1.155 279 F CA -2.096 55.916 58.000 0.020 0.000 1.157 279 F CB 0.763 39.493 39.000 -0.450 0.000 1.252 279 F HN 0.788 nan 8.300 nan 0.000 0.550 280 C N 4.096 123.584 119.300 0.315 0.000 2.407 280 C HA 0.603 5.069 4.460 0.010 0.000 0.328 280 C C -1.709 173.514 174.990 0.389 0.000 1.137 280 C CA -0.635 58.573 59.018 0.317 0.000 1.390 280 C CB -1.355 26.516 27.740 0.220 0.000 1.989 280 C HN 0.659 nan 8.230 nan 0.000 0.432 281 Y N 5.771 126.321 120.300 0.416 0.000 2.402 281 Y HA 0.441 4.997 4.550 0.009 0.000 0.332 281 Y C -2.023 173.974 175.900 0.162 0.000 0.960 281 Y CA -3.223 54.999 58.100 0.203 0.000 1.228 281 Y CB 0.501 38.990 38.460 0.049 0.000 1.120 281 Y HN 0.533 nan 8.280 nan 0.000 0.491 282 P HA 0.085 nan 4.420 nan 0.000 0.267 282 P C 0.057 177.257 177.300 -0.166 0.000 1.200 282 P CA 0.487 63.566 63.100 -0.034 0.000 0.772 282 P CB 1.247 32.942 31.700 -0.009 0.000 0.855 283 A N 2.219 124.840 122.820 -0.331 0.000 2.070 283 A HA 0.276 4.602 4.320 0.010 0.000 0.202 283 A C 0.191 177.574 177.584 -0.335 0.000 1.277 283 A CA 1.140 52.932 52.037 -0.409 0.000 0.872 283 A CB -0.211 18.481 19.000 -0.515 0.000 0.933 283 A HN 0.646 nan 8.150 nan 0.000 0.475 284 D N -3.779 116.431 120.400 -0.317 0.000 2.992 284 D HA 0.207 4.853 4.640 0.010 0.000 0.349 284 D C 0.046 176.201 176.300 -0.242 0.000 1.393 284 D CA -0.661 53.217 54.000 -0.203 0.000 0.887 284 D CB 0.126 40.872 40.800 -0.090 0.000 1.447 284 D HN -0.284 nan 8.370 nan 0.000 0.524 285 K N -0.797 119.562 120.400 -0.068 0.000 2.280 285 K HA 0.020 4.346 4.320 0.010 0.000 0.202 285 K C 1.237 177.911 176.600 0.123 0.000 1.047 285 K CA 1.835 58.143 56.287 0.035 0.000 0.942 285 K CB -0.530 32.005 32.500 0.059 0.000 0.739 285 K HN 0.710 nan 8.250 nan 0.000 0.457 286 T N -2.932 111.655 114.554 0.054 0.000 3.200 286 T HA 0.197 4.553 4.350 0.010 0.000 0.284 286 T C -0.380 174.159 174.700 -0.269 0.000 1.009 286 T CA -0.606 61.504 62.100 0.016 0.000 0.907 286 T CB -0.151 68.681 68.868 -0.060 0.000 1.120 286 T HN 0.005 nan 8.240 nan 0.000 0.534 287 H N 0.163 119.141 119.070 -0.153 0.000 2.934 287 H HA 0.550 5.115 4.556 0.014 0.000 0.340 287 H C -1.805 173.273 175.328 -0.416 0.000 1.008 287 H CA -0.685 55.309 56.048 -0.090 0.000 1.317 287 H CB 0.945 30.704 29.762 -0.005 0.000 1.670 287 H HN 0.204 nan 8.280 nan 0.000 0.516 288 Y N 1.879 122.293 120.300 0.189 0.000 2.361 288 Y HA 0.298 4.856 4.550 0.013 0.000 0.337 288 Y C -0.703 175.325 175.900 0.214 0.000 0.965 288 Y CA -0.992 57.214 58.100 0.176 0.000 1.091 288 Y CB 1.620 40.152 38.460 0.120 0.000 1.182 288 Y HN 0.473 nan 8.280 nan 0.000 0.450 289 L N 5.261 126.709 121.223 0.375 0.000 2.283 289 L HA 0.483 4.829 4.340 0.010 0.000 0.287 289 L C -1.153 175.946 176.870 0.381 0.000 1.073 289 L CA -0.011 55.065 54.840 0.393 0.000 0.822 289 L CB -0.066 42.288 42.059 0.492 0.000 1.186 289 L HN 0.542 nan 8.230 nan 0.000 0.436 290 L N 5.421 126.741 121.223 0.163 0.000 2.325 290 L HA 0.928 5.274 4.340 0.010 0.000 0.279 290 L C 0.561 177.181 176.870 -0.417 0.000 1.054 290 L CA -0.429 54.353 54.840 -0.098 0.000 0.804 290 L CB 1.367 43.293 42.059 -0.221 0.000 1.200 290 L HN 0.769 nan 8.230 nan 0.000 0.436 291 G N 0.719 108.849 108.800 -1.116 0.000 2.506 291 G HA2 0.548 4.514 3.960 0.010 0.000 0.292 291 G HA3 0.548 4.514 3.960 0.010 0.000 0.292 291 G C -1.583 172.748 174.900 -0.948 0.000 1.425 291 G CA -0.303 44.186 45.100 -1.017 0.000 0.788 291 G HN 0.751 nan 8.290 nan 0.000 0.490 292 G N 0.672 109.263 108.800 -0.347 0.000 2.644 292 G HA2 0.702 4.669 3.960 0.010 0.000 0.300 292 G HA3 0.702 4.669 3.960 0.010 0.000 0.300 292 G C -2.980 171.923 174.900 0.006 0.000 1.395 292 G CA -1.335 43.719 45.100 -0.077 0.000 0.964 292 G HN 0.445 nan 8.290 nan 0.000 0.511 293 P HA 0.399 nan 4.420 nan 0.000 0.286 293 P C -0.479 176.736 177.300 -0.143 0.000 1.269 293 P CA -0.536 62.572 63.100 0.014 0.000 0.787 293 P CB 2.014 33.740 31.700 0.043 0.000 0.920 294 V N 4.443 124.291 119.914 -0.109 0.000 2.407 294 V HA 0.198 4.324 4.120 0.010 0.000 0.291 294 V C 1.126 177.168 176.094 -0.087 0.000 1.018 294 V CA -0.497 61.729 62.300 -0.122 0.000 0.842 294 V CB 1.315 33.098 31.823 -0.067 0.000 0.996 294 V HN 0.411 nan 8.190 nan 0.000 0.426 295 N N 2.658 121.306 118.700 -0.086 0.000 2.142 295 N HA -0.070 4.677 4.740 0.010 0.000 0.186 295 N C 0.729 176.223 175.510 -0.026 0.000 1.023 295 N CA 1.146 54.180 53.050 -0.027 0.000 0.852 295 N CB -0.044 38.438 38.487 -0.010 0.000 0.998 295 N HN 0.581 nan 8.380 nan 0.000 0.424 296 N N 1.259 119.936 118.700 -0.039 0.000 3.188 296 N HA 0.158 4.904 4.740 0.010 0.000 0.279 296 N C 0.640 176.093 175.510 -0.095 0.000 1.213 296 N CA -0.024 52.998 53.050 -0.046 0.000 1.138 296 N CB 0.685 39.154 38.487 -0.031 0.000 1.417 296 N HN 0.205 nan 8.380 nan 0.000 0.526 297 G N 0.148 108.872 108.800 -0.128 0.000 3.434 297 G HA2 0.230 4.196 3.960 0.010 0.000 0.192 297 G HA3 0.230 4.196 3.960 0.010 0.000 0.192 297 G C 1.156 175.841 174.900 -0.358 0.000 1.704 297 G CA 0.176 45.107 45.100 -0.281 0.000 0.936 297 G HN 0.300 nan 8.290 nan 0.000 0.623 298 G N -0.049 108.579 108.800 -0.286 0.000 2.470 298 G HA2 -0.134 3.832 3.960 0.010 0.000 0.220 298 G HA3 -0.134 3.832 3.960 0.010 0.000 0.220 298 G C 1.688 176.635 174.900 0.079 0.000 1.121 298 G CA 0.789 45.832 45.100 -0.095 0.000 0.766 298 G HN 0.415 nan 8.290 nan 0.000 0.553 299 I N 0.278 120.873 120.570 0.043 0.000 2.335 299 I HA -0.156 4.020 4.170 0.010 0.000 0.251 299 I C 2.462 178.661 176.117 0.137 0.000 1.129 299 I CA 0.869 62.223 61.300 0.091 0.000 1.402 299 I CB 0.177 38.215 38.000 0.063 0.000 1.069 299 I HN 0.077 nan 8.210 nan 0.000 0.424 300 V N 0.253 120.231 119.914 0.106 0.000 2.535 300 V HA -0.233 3.893 4.120 0.010 0.000 0.246 300 V C 2.099 178.345 176.094 0.253 0.000 1.045 300 V CA 1.632 64.044 62.300 0.186 0.000 1.058 300 V CB -0.665 31.233 31.823 0.126 0.000 0.689 300 V HN 0.510 nan 8.190 nan 0.000 0.461 301 F N 1.680 121.630 119.950 -0.000 0.000 2.126 301 F HA -0.239 4.295 4.527 0.011 0.000 0.299 301 F C 2.359 178.099 175.800 -0.100 0.000 1.096 301 F CA 2.314 60.276 58.000 -0.064 0.000 1.255 301 F CB -0.363 38.654 39.000 0.027 0.000 0.997 301 F HN 0.175 nan 8.300 nan 0.000 0.479 302 N N -0.440 118.343 118.700 0.138 0.000 2.069 302 N HA -0.303 4.443 4.740 0.010 0.000 0.191 302 N C 2.048 177.570 175.510 0.020 0.000 1.031 302 N CA 1.783 54.862 53.050 0.048 0.000 0.852 302 N CB -0.725 37.849 38.487 0.146 0.000 1.018 302 N HN 0.587 nan 8.380 nan 0.000 0.423 303 W N 1.885 123.164 121.300 -0.035 0.000 2.335 303 W HA -0.164 4.502 4.660 0.010 0.000 0.311 303 W C 2.378 178.894 176.519 -0.005 0.000 1.213 303 W CA 2.484 59.829 57.345 0.000 0.000 1.274 303 W CB -0.531 28.952 29.460 0.038 0.000 1.148 303 W HN 0.147 nan 8.180 nan 0.000 0.498 304 A N 0.699 123.494 122.820 -0.043 0.000 1.933 304 A HA -0.190 4.137 4.320 0.010 0.000 0.218 304 A C 2.115 179.615 177.584 -0.140 0.000 1.175 304 A CA 1.821 53.695 52.037 -0.272 0.000 0.628 304 A CB -0.991 18.048 19.000 0.065 0.000 0.814 304 A HN 0.486 nan 8.150 nan 0.000 0.444 305 R N -0.465 119.844 120.500 -0.320 0.000 2.081 305 R HA -0.146 4.201 4.340 0.010 0.000 0.235 305 R C 2.164 178.480 176.300 0.026 0.000 1.131 305 R CA 1.809 57.828 56.100 -0.134 0.000 0.960 305 R CB -0.262 29.742 30.300 -0.493 0.000 0.856 305 R HN 0.661 nan 8.270 nan 0.000 0.436 306 Q N -1.164 118.566 119.800 -0.117 0.000 2.269 306 Q HA -0.023 4.323 4.340 0.010 0.000 0.201 306 Q C 1.474 177.375 176.000 -0.164 0.000 0.946 306 Q CA 1.551 57.296 55.803 -0.097 0.000 0.877 306 Q CB 0.555 29.237 28.738 -0.094 0.000 0.963 306 Q HN 0.356 nan 8.270 nan 0.000 0.472 307 T N 0.460 114.787 114.554 -0.378 0.000 3.004 307 T HA 0.023 4.379 4.350 0.010 0.000 0.243 307 T C 1.597 176.088 174.700 -0.347 0.000 1.020 307 T CA 0.275 62.089 62.100 -0.477 0.000 1.145 307 T CB 0.112 68.346 68.868 -1.057 0.000 0.876 307 T HN 0.003 nan 8.240 nan 0.000 0.449 308 L N -0.049 120.967 121.223 -0.346 0.000 2.201 308 L HA 0.191 4.537 4.340 0.010 0.000 0.212 308 L C 1.260 177.813 176.870 -0.528 0.000 1.105 308 L CA 1.635 56.224 54.840 -0.420 0.000 0.775 308 L CB -0.662 41.128 42.059 -0.449 0.000 0.913 308 L HN 0.232 nan 8.230 nan 0.000 0.440 309 F N -1.440 118.435 119.950 -0.125 0.000 2.171 309 F HA 0.329 4.862 4.527 0.011 0.000 0.220 309 F C 0.086 175.838 175.800 -0.081 0.000 1.118 309 F CA -0.307 57.638 58.000 -0.091 0.000 1.229 309 F CB -0.121 38.844 39.000 -0.058 0.000 1.616 309 F HN 0.042 nan 8.300 nan 0.000 0.477 310 D N -1.738 118.768 120.400 0.177 0.000 2.807 310 D HA 0.332 4.979 4.640 0.010 0.000 0.279 310 D C -0.677 175.647 176.300 0.039 0.000 1.247 310 D CA -0.366 53.672 54.000 0.063 0.000 0.749 310 D CB 0.667 41.497 40.800 0.050 0.000 1.264 310 D HN 0.329 nan 8.370 nan 0.000 0.421 311 A N -0.150 122.679 122.820 0.016 0.000 2.236 311 A HA 0.168 4.494 4.320 0.010 0.000 0.214 311 A C 0.336 177.925 177.584 0.007 0.000 1.287 311 A CA 0.497 52.539 52.037 0.008 0.000 0.909 311 A CB -0.538 18.467 19.000 0.008 0.000 0.839 311 A HN 0.440 nan 8.150 nan 0.000 0.486 312 D N -1.202 119.202 120.400 0.007 0.000 2.500 312 D HA 0.111 4.758 4.640 0.010 0.000 0.218 312 D C 0.129 176.418 176.300 -0.019 0.000 1.140 312 D CA 0.046 54.045 54.000 -0.001 0.000 0.830 312 D CB 0.242 41.044 40.800 0.003 0.000 1.055 312 D HN 0.446 nan 8.370 nan 0.000 0.512 313 E N 1.731 121.911 120.200 -0.032 0.000 2.299 313 E HA 0.149 4.505 4.350 0.010 0.000 0.272 313 E C 0.057 176.611 176.600 -0.077 0.000 1.043 313 E CA -0.119 56.219 56.400 -0.104 0.000 0.895 313 E CB 0.489 30.079 29.700 -0.183 0.000 1.011 313 E HN 0.047 nan 8.360 nan 0.000 0.432 314 T N 2.363 116.880 114.554 -0.062 0.000 2.868 314 T HA 0.227 4.583 4.350 0.010 0.000 0.292 314 T C -1.695 173.026 174.700 0.034 0.000 1.028 314 T CA -1.499 60.596 62.100 -0.008 0.000 1.059 314 T CB 1.108 69.975 68.868 -0.001 0.000 0.991 314 T HN 0.247 nan 8.240 nan 0.000 0.531 315 P HA -0.135 nan 4.420 nan 0.000 0.216 315 P C 1.781 179.232 177.300 0.252 0.000 1.153 315 P CA 0.985 64.259 63.100 0.290 0.000 0.858 315 P CB 0.044 31.903 31.700 0.265 0.000 0.789 316 Q N -0.000 119.869 119.800 0.115 0.000 2.096 316 Q HA -0.185 4.161 4.340 0.010 0.000 0.204 316 Q C 1.684 177.705 176.000 0.035 0.000 0.982 316 Q CA 1.834 57.678 55.803 0.068 0.000 0.850 316 Q CB -1.178 27.574 28.738 0.023 0.000 0.901 316 Q HN 0.176 nan 8.270 nan 0.000 0.422 317 D N -0.739 119.653 120.400 -0.014 0.000 2.104 317 D HA -0.170 4.476 4.640 0.010 0.000 0.194 317 D C 1.579 177.782 176.300 -0.162 0.000 0.994 317 D CA 1.039 54.973 54.000 -0.109 0.000 0.830 317 D CB -0.438 40.255 40.800 -0.179 0.000 0.959 317 D HN 0.286 nan 8.370 nan 0.000 0.452 318 F N 1.340 121.114 119.950 -0.294 0.000 2.075 318 F HA -0.139 4.395 4.527 0.011 0.000 0.297 318 F C 2.255 178.032 175.800 -0.039 0.000 1.113 318 F CA 1.144 58.963 58.000 -0.302 0.000 1.218 318 F CB -0.367 38.480 39.000 -0.254 0.000 0.984 318 F HN -0.117 nan 8.300 nan 0.000 0.472 319 L N -0.164 121.293 121.223 0.390 0.000 2.042 319 L HA -0.263 4.083 4.340 0.010 0.000 0.210 319 L C 2.227 179.051 176.870 -0.076 0.000 1.076 319 L CA 1.547 56.529 54.840 0.238 0.000 0.749 319 L CB -0.939 41.242 42.059 0.203 0.000 0.893 319 L HN 0.111 nan 8.230 nan 0.000 0.432 320 D N -0.194 120.160 120.400 -0.076 0.000 2.104 320 D HA -0.162 4.485 4.640 0.010 0.000 0.194 320 D C 2.315 178.524 176.300 -0.152 0.000 0.994 320 D CA 1.295 55.216 54.000 -0.131 0.000 0.830 320 D CB -0.285 40.460 40.800 -0.092 0.000 0.959 320 D HN 0.114 nan 8.370 nan 0.000 0.452 321 V N 1.439 121.266 119.914 -0.145 0.000 2.307 321 V HA -0.217 3.909 4.120 0.010 0.000 0.245 321 V C 2.560 178.579 176.094 -0.125 0.000 1.045 321 V CA 1.727 63.958 62.300 -0.115 0.000 1.024 321 V CB -0.879 30.907 31.823 -0.062 0.000 0.651 321 V HN 0.180 nan 8.190 nan 0.000 0.449 322 A N -0.588 122.137 122.820 -0.159 0.000 1.908 322 A HA -0.320 4.006 4.320 0.010 0.000 0.218 322 A C 2.155 179.659 177.584 -0.134 0.000 1.181 322 A CA 2.074 54.062 52.037 -0.081 0.000 0.627 322 A CB -0.552 18.509 19.000 0.101 0.000 0.818 322 A HN 0.648 nan 8.150 nan 0.000 0.445 323 Q N -0.641 118.942 119.800 -0.362 0.000 2.364 323 Q HA -0.110 4.236 4.340 0.010 0.000 0.207 323 Q C 1.949 177.846 176.000 -0.170 0.000 0.970 323 Q CA 1.543 57.081 55.803 -0.442 0.000 0.888 323 Q CB -0.404 27.955 28.738 -0.631 0.000 0.951 323 Q HN 0.907 nan 8.270 nan 0.000 0.469 324 T N -2.441 112.044 114.554 -0.115 0.000 3.118 324 T HA 0.264 4.620 4.350 0.010 0.000 0.260 324 T C 0.659 175.346 174.700 -0.022 0.000 1.139 324 T CA 0.204 62.268 62.100 -0.059 0.000 1.085 324 T CB 0.117 68.953 68.868 -0.053 0.000 0.934 324 T HN 0.177 nan 8.240 nan 0.000 0.518 325 A N 2.813 125.634 122.820 0.001 0.000 2.293 325 A HA 0.699 5.025 4.320 0.010 0.000 0.302 325 A C -2.360 175.265 177.584 0.069 0.000 1.119 325 A CA -2.109 49.954 52.037 0.042 0.000 0.823 325 A CB 0.555 19.601 19.000 0.077 0.000 1.097 325 A HN 0.285 nan 8.150 nan 0.000 0.491 326 P HA 0.304 nan 4.420 nan 0.000 0.274 326 P C -0.157 177.207 177.300 0.107 0.000 1.231 326 P CA -0.016 63.126 63.100 0.069 0.000 0.790 326 P CB 0.676 32.400 31.700 0.040 0.000 0.951 327 A N 1.512 124.388 122.820 0.094 0.000 2.566 327 A HA 0.357 4.683 4.320 0.010 0.000 0.245 327 A C 1.485 179.044 177.584 -0.042 0.000 1.056 327 A CA 0.990 53.067 52.037 0.067 0.000 0.757 327 A CB -1.688 17.276 19.000 -0.059 0.000 0.979 327 A HN 0.923 nan 8.150 nan 0.000 0.508 328 G N 1.229 110.080 108.800 0.084 0.000 2.195 328 G HA2 -0.079 3.888 3.960 0.010 0.000 0.224 328 G HA3 -0.079 3.888 3.960 0.010 0.000 0.224 328 G C 0.649 175.696 174.900 0.245 0.000 0.990 328 G CA 0.336 45.522 45.100 0.143 0.000 0.639 328 G HN 2.048 nan 8.290 nan 0.000 0.514 329 S N -0.446 115.393 115.700 0.233 0.000 3.581 329 S HA -0.279 4.197 4.470 0.010 0.000 0.354 329 S C 1.149 175.924 174.600 0.291 0.000 1.059 329 S CA 1.793 60.149 58.200 0.259 0.000 1.060 329 S CB -1.076 62.310 63.200 0.310 0.000 0.908 329 S HN 1.761 nan 8.310 nan 0.000 0.475 330 R N -0.374 120.246 120.500 0.200 0.000 3.516 330 R HA -0.235 4.111 4.340 0.010 0.000 0.271 330 R C 0.122 176.615 176.300 0.321 0.000 1.098 330 R CA 0.607 56.817 56.100 0.184 0.000 0.732 330 R CB -2.134 28.180 30.300 0.024 0.000 1.152 330 R HN 0.586 nan 8.270 nan 0.000 0.455 331 N N -1.722 117.136 118.700 0.264 0.000 2.850 331 N HA -0.178 4.568 4.740 0.010 0.000 0.249 331 N C -0.387 175.262 175.510 0.232 0.000 1.060 331 N CA 1.370 54.562 53.050 0.237 0.000 0.825 331 N CB -0.684 37.914 38.487 0.185 0.000 1.132 331 N HN 0.355 nan 8.380 nan 0.000 0.564 332 L N 1.564 122.935 121.223 0.247 0.000 2.360 332 L HA 0.369 4.715 4.340 0.010 0.000 0.276 332 L C 0.032 177.057 176.870 0.258 0.000 1.121 332 L CA -0.051 54.854 54.840 0.109 0.000 0.845 332 L CB 0.356 42.407 42.059 -0.014 0.000 1.143 332 L HN 0.022 nan 8.230 nan 0.000 0.452 333 I N 6.085 126.791 120.570 0.226 0.000 2.359 333 I HA 0.231 4.408 4.170 0.010 0.000 0.294 333 I C -0.582 175.698 176.117 0.271 0.000 0.987 333 I CA -0.279 61.180 61.300 0.264 0.000 1.225 333 I CB 0.976 39.047 38.000 0.118 0.000 1.366 333 I HN 0.543 nan 8.210 nan 0.000 0.466 334 F N 7.446 127.468 119.950 0.120 0.000 2.403 334 F HA 0.483 5.016 4.527 0.010 0.000 0.355 334 F C -0.696 175.031 175.800 -0.122 0.000 1.119 334 F CA -0.735 57.180 58.000 -0.142 0.000 1.007 334 F CB 0.855 39.736 39.000 -0.198 0.000 1.194 334 F HN 0.211 nan 8.300 nan 0.000 0.443 335 L N 8.855 129.590 121.223 -0.813 0.000 2.315 335 L HA 0.329 4.676 4.340 0.010 0.000 0.283 335 L C -1.627 174.334 176.870 -1.516 0.000 1.089 335 L CA -1.566 52.662 54.840 -1.020 0.000 0.833 335 L CB 0.843 42.391 42.059 -0.852 0.000 1.170 335 L HN 0.476 nan 8.230 nan 0.000 0.442 336 P HA -0.022 nan 4.420 nan 0.000 0.255 336 P C -0.132 176.831 177.300 -0.562 0.000 1.301 336 P CA 0.119 62.726 63.100 -0.820 0.000 0.817 336 P CB -0.063 31.515 31.700 -0.203 0.000 1.259 337 Y N -0.156 119.877 120.300 -0.446 0.000 3.103 337 Y HA 0.071 4.627 4.550 0.010 0.000 0.389 337 Y C 1.749 177.404 175.900 -0.408 0.000 1.082 337 Y CA -0.599 57.270 58.100 -0.385 0.000 1.987 337 Y CB -1.493 36.702 38.460 -0.441 0.000 2.096 337 Y HN -0.159 nan 8.280 nan 0.000 0.423 338 L N 0.496 121.553 121.223 -0.277 0.000 2.012 338 L HA -0.104 4.243 4.340 0.010 0.000 0.210 338 L C 2.258 178.989 176.870 -0.232 0.000 1.073 338 L CA 1.910 56.551 54.840 -0.333 0.000 0.748 338 L CB -0.798 41.007 42.059 -0.423 0.000 0.891 338 L HN 0.522 nan 8.230 nan 0.000 0.431 339 G N -1.580 107.129 108.800 -0.152 0.000 3.814 339 G HA2 0.462 4.428 3.960 0.010 0.000 0.293 339 G HA3 0.462 4.428 3.960 0.010 0.000 0.293 339 G C 0.682 175.524 174.900 -0.095 0.000 1.243 339 G CA 0.226 45.263 45.100 -0.104 0.000 1.053 339 G HN 0.613 nan 8.290 nan 0.000 0.562 340 G N 0.038 108.749 108.800 -0.147 0.000 2.806 340 G HA2 0.053 4.019 3.960 0.010 0.000 0.236 340 G HA3 0.053 4.019 3.960 0.010 0.000 0.236 340 G C -0.549 174.260 174.900 -0.151 0.000 1.387 340 G CA 0.115 45.117 45.100 -0.163 0.000 0.884 340 G HN 0.849 nan 8.290 nan 0.000 0.560 341 E N -1.017 119.064 120.200 -0.198 0.000 2.343 341 E HA 0.623 4.979 4.350 0.010 0.000 0.278 341 E C 0.775 177.179 176.600 -0.327 0.000 0.910 341 E CA -0.666 55.588 56.400 -0.244 0.000 0.757 341 E CB 1.388 30.886 29.700 -0.336 0.000 1.218 341 E HN 0.659 nan 8.360 nan 0.000 0.435 342 R N 1.266 121.474 120.500 -0.487 0.000 1.121 342 R HA 0.668 5.014 4.340 0.010 0.000 0.083 342 R C 0.058 175.395 176.300 -1.605 0.000 1.153 342 R CA 0.028 55.461 56.100 -1.111 0.000 2.054 342 R CB -0.450 29.229 30.300 -1.037 0.000 0.854 342 R HN 0.520 nan 8.270 nan 0.000 0.703 343 A N 2.364 124.249 122.820 -1.559 0.000 2.498 343 A HA 0.120 4.446 4.320 0.010 0.000 0.239 343 A C -1.838 175.496 177.584 -0.417 0.000 1.068 343 A CA -0.906 50.622 52.037 -0.849 0.000 0.766 343 A CB 0.013 18.847 19.000 -0.276 0.000 1.003 343 A HN 0.415 nan 8.150 nan 0.000 0.497 344 P HA 0.038 nan 4.420 nan 0.000 0.252 344 P C 0.941 178.185 177.300 -0.094 0.000 1.218 344 P CA 0.558 63.594 63.100 -0.106 0.000 0.807 344 P CB -0.014 31.708 31.700 0.036 0.000 1.072 345 I N -6.894 113.540 120.570 -0.228 0.000 3.427 345 I HA 0.236 4.412 4.170 0.010 0.000 0.288 345 I C 0.017 176.129 176.117 -0.008 0.000 1.249 345 I CA -0.234 60.984 61.300 -0.136 0.000 1.421 345 I CB -1.087 36.727 38.000 -0.309 0.000 1.086 345 I HN -0.269 nan 8.210 nan 0.000 0.448 346 W N 2.990 124.229 121.300 -0.101 0.000 6.562 346 W HA -0.253 4.412 4.660 0.009 0.000 0.418 346 W C -0.190 176.290 176.519 -0.064 0.000 1.645 346 W CA 0.708 58.021 57.345 -0.052 0.000 1.086 346 W CB -1.613 27.820 29.460 -0.045 0.000 2.865 346 W HN 0.395 nan 8.180 nan 0.000 1.517 347 D N 0.011 120.413 120.400 0.004 0.000 2.402 347 D HA 0.526 5.172 4.640 0.010 0.000 0.252 347 D C 0.777 177.039 176.300 -0.064 0.000 1.294 347 D CA 0.212 54.200 54.000 -0.019 0.000 0.948 347 D CB 1.227 41.992 40.800 -0.059 0.000 1.202 347 D HN 0.035 nan 8.370 nan 0.000 0.561 348 A N 3.826 126.641 122.820 -0.008 0.000 2.172 348 A HA -0.113 4.213 4.320 0.010 0.000 0.216 348 A C 1.388 178.934 177.584 -0.063 0.000 1.154 348 A CA 0.767 52.791 52.037 -0.022 0.000 0.701 348 A CB -0.092 18.903 19.000 -0.010 0.000 0.789 348 A HN 0.549 nan 8.150 nan 0.000 0.465 349 N N 0.143 118.808 118.700 -0.059 0.000 2.280 349 N HA 0.200 4.946 4.740 0.010 0.000 0.192 349 N C 0.679 176.095 175.510 -0.158 0.000 1.109 349 N CA 0.684 53.704 53.050 -0.049 0.000 0.855 349 N CB -0.138 38.373 38.487 0.040 0.000 0.974 349 N HN 0.435 nan 8.380 nan 0.000 0.482 350 A N 1.300 123.923 122.820 -0.329 0.000 2.507 350 A HA 0.278 4.604 4.320 0.010 0.000 0.235 350 A C 0.578 177.731 177.584 -0.718 0.000 1.070 350 A CA 0.376 51.897 52.037 -0.859 0.000 0.768 350 A CB 0.396 18.887 19.000 -0.848 0.000 1.011 350 A HN 0.217 nan 8.150 nan 0.000 0.502 351 R N -0.301 119.606 120.500 -0.988 0.000 2.855 351 R HA 0.571 4.917 4.340 0.010 0.000 0.266 351 R C 0.282 176.280 176.300 -0.504 0.000 1.034 351 R CA -0.311 55.431 56.100 -0.597 0.000 0.944 351 R CB 1.961 31.891 30.300 -0.617 0.000 1.219 351 R HN 0.894 nan 8.270 nan 0.000 0.474 352 G N 0.026 108.542 108.800 -0.473 0.000 2.476 352 G HA2 0.478 4.445 3.960 0.010 0.000 0.286 352 G HA3 0.478 4.445 3.960 0.010 0.000 0.286 352 G C -0.834 173.795 174.900 -0.451 0.000 1.177 352 G CA -0.188 44.560 45.100 -0.586 0.000 0.870 352 G HN 0.342 nan 8.290 nan 0.000 0.528 353 S N -0.904 114.461 115.700 -0.558 0.000 2.541 353 S HA 0.523 4.999 4.470 0.010 0.000 0.271 353 S C -1.483 172.956 174.600 -0.269 0.000 1.133 353 S CA -0.438 57.610 58.200 -0.253 0.000 0.876 353 S CB 1.494 64.619 63.200 -0.125 0.000 1.105 353 S HN 0.415 nan 8.310 nan 0.000 0.470 354 F N 1.719 121.747 119.950 0.130 0.000 2.404 354 F HA 0.596 5.129 4.527 0.011 0.000 0.354 354 F C -0.110 175.734 175.800 0.074 0.000 1.122 354 F CA -0.556 57.558 58.000 0.190 0.000 1.080 354 F CB 1.357 40.483 39.000 0.211 0.000 1.131 354 F HN 0.189 nan 8.300 nan 0.000 0.471 355 V N 2.148 122.180 119.914 0.197 0.000 2.588 355 V HA 0.756 4.883 4.120 0.010 0.000 0.304 355 V C 0.267 176.402 176.094 0.069 0.000 1.042 355 V CA -0.634 61.728 62.300 0.103 0.000 0.877 355 V CB 1.314 33.159 31.823 0.038 0.000 0.996 355 V HN 0.920 nan 8.190 nan 0.000 0.425 356 G N 4.136 112.957 108.800 0.035 0.000 2.145 356 G HA2 -0.128 3.839 3.960 0.010 0.000 0.145 356 G HA3 -0.128 3.839 3.960 0.010 0.000 0.145 356 G C -0.328 174.518 174.900 -0.091 0.000 1.017 356 G CA -0.517 44.586 45.100 0.004 0.000 0.682 356 G HN 0.554 nan 8.290 nan 0.000 0.504 357 L N 0.524 121.704 121.223 -0.072 0.000 2.417 357 L HA 0.739 5.085 4.340 0.010 0.000 0.268 357 L C 0.882 177.842 176.870 0.150 0.000 1.158 357 L CA 0.264 55.060 54.840 -0.073 0.000 0.819 357 L CB 1.548 43.591 42.059 -0.028 0.000 1.112 357 L HN 0.209 nan 8.230 nan 0.000 0.458 358 T N 1.081 115.864 114.554 0.381 0.000 2.792 358 T HA 0.429 4.785 4.350 0.010 0.000 0.303 358 T C -0.284 174.515 174.700 0.166 0.000 1.310 358 T CA -0.744 61.498 62.100 0.236 0.000 1.007 358 T CB 1.344 70.340 68.868 0.213 0.000 1.335 358 T HN 0.511 nan 8.240 nan 0.000 0.504 362 Q N 0.896 120.706 119.800 0.018 0.000 2.448 362 Q HA 0.284 4.630 4.340 0.010 0.000 0.192 362 Q C 1.265 177.219 176.000 -0.078 0.000 1.001 362 Q CA -0.987 54.792 55.803 -0.040 0.000 1.018 362 Q CB 1.356 30.066 28.738 -0.048 0.000 1.290 362 Q HN 0.359 nan 8.270 nan 0.000 0.517 363 K N 0.409 120.729 120.400 -0.132 0.000 2.074 363 K HA -0.160 4.166 4.320 0.010 0.000 0.209 363 K C -1.031 175.472 176.600 -0.162 0.000 1.048 363 K CA 1.952 58.107 56.287 -0.220 0.000 0.926 363 K CB -1.042 31.285 32.500 -0.288 0.000 0.713 363 K HN 0.255 nan 8.250 nan 0.000 0.444 364 P HA -0.088 nan 4.420 nan 0.000 0.216 364 P C -0.293 177.008 177.300 0.003 0.000 1.153 364 P CA 1.015 64.087 63.100 -0.047 0.000 0.848 364 P CB 0.060 31.744 31.700 -0.028 0.000 0.787 368 R N 0.688 121.301 120.500 0.189 0.000 2.092 368 R HA 0.020 4.366 4.340 0.010 0.000 0.231 368 R C 2.173 178.671 176.300 0.331 0.000 1.119 368 R CA 1.641 57.925 56.100 0.307 0.000 0.970 368 R CB -0.242 30.224 30.300 0.277 0.000 0.864 368 R HN 0.566 nan 8.270 nan 0.000 0.440 369 A N 0.376 123.389 122.820 0.321 0.000 1.940 369 A HA -0.115 4.212 4.320 0.010 0.000 0.219 369 A C 2.222 179.997 177.584 0.318 0.000 1.176 369 A CA 1.508 53.769 52.037 0.373 0.000 0.631 369 A CB -0.483 18.790 19.000 0.455 0.000 0.814 369 A HN 0.214 nan 8.150 nan 0.000 0.446 370 V N 0.071 120.078 119.914 0.156 0.000 2.295 370 V HA -0.279 3.848 4.120 0.010 0.000 0.246 370 V C 2.421 178.666 176.094 0.252 0.000 1.049 370 V CA 2.151 64.365 62.300 -0.143 0.000 1.024 370 V CB -0.645 31.105 31.823 -0.122 0.000 0.648 370 V HN 0.590 nan 8.190 nan 0.000 0.447 371 I N -0.242 120.563 120.570 0.391 0.000 2.179 371 I HA -0.244 3.932 4.170 0.010 0.000 0.242 371 I C 2.535 178.799 176.117 0.245 0.000 1.088 371 I CA 1.668 63.233 61.300 0.443 0.000 1.357 371 I CB -0.408 37.887 38.000 0.493 0.000 1.051 371 I HN 0.365 nan 8.210 nan 0.000 0.409 372 E N 0.680 120.978 120.200 0.165 0.000 2.110 372 E HA -0.168 4.188 4.350 0.010 0.000 0.193 372 E C 2.313 178.905 176.600 -0.013 0.000 0.988 372 E CA 1.191 57.544 56.400 -0.078 0.000 0.804 372 E CB -0.332 29.379 29.700 0.018 0.000 0.745 372 E HN 0.605 nan 8.360 nan 0.000 0.458 373 G N 1.238 110.242 108.800 0.340 0.000 2.402 373 G HA2 -0.234 3.732 3.960 0.010 0.000 0.216 373 G HA3 -0.234 3.732 3.960 0.010 0.000 0.216 373 G C 1.600 176.680 174.900 0.300 0.000 1.162 373 G CA 0.498 45.896 45.100 0.496 0.000 0.777 373 G HN 0.111 nan 8.290 nan 0.000 0.539 374 I N 0.620 121.342 120.570 0.253 0.000 2.163 374 I HA -0.198 3.978 4.170 0.010 0.000 0.243 374 I C 2.661 178.821 176.117 0.070 0.000 1.085 374 I CA 1.082 62.445 61.300 0.106 0.000 1.347 374 I CB -0.145 37.843 38.000 -0.020 0.000 1.044 374 I HN 0.170 nan 8.210 nan 0.000 0.408 375 I N -0.596 120.010 120.570 0.060 0.000 2.353 375 I HA -0.262 3.915 4.170 0.010 0.000 0.248 375 I C 2.323 178.423 176.117 -0.029 0.000 1.119 375 I CA 1.106 62.418 61.300 0.020 0.000 1.417 375 I CB -0.366 37.557 38.000 -0.127 0.000 1.078 375 I HN 0.073 nan 8.210 nan 0.000 0.421 376 F N 1.330 121.182 119.950 -0.164 0.000 2.126 376 F HA -0.253 4.281 4.527 0.010 0.000 0.299 376 F C 2.409 178.048 175.800 -0.267 0.000 1.096 376 F CA 1.472 59.245 58.000 -0.379 0.000 1.255 376 F CB -1.152 37.363 39.000 -0.808 0.000 0.997 376 F HN 0.210 nan 8.300 nan 0.000 0.479 377 N N 0.554 119.308 118.700 0.090 0.000 2.084 377 N HA -0.186 4.560 4.740 0.010 0.000 0.190 377 N C 1.978 177.570 175.510 0.137 0.000 1.030 377 N CA 1.089 54.264 53.050 0.209 0.000 0.849 377 N CB -0.176 38.438 38.487 0.212 0.000 1.012 377 N HN 0.266 nan 8.380 nan 0.000 0.423 378 L N -0.132 121.160 121.223 0.115 0.000 2.083 378 L HA -0.181 4.165 4.340 0.010 0.000 0.209 378 L C 2.410 179.336 176.870 0.093 0.000 1.083 378 L CA 1.051 55.980 54.840 0.149 0.000 0.752 378 L CB -0.564 41.643 42.059 0.246 0.000 0.899 378 L HN 0.294 nan 8.230 nan 0.000 0.433 379 Y N 0.557 120.683 120.300 -0.291 0.000 2.314 379 Y HA -0.237 4.319 4.550 0.010 0.000 0.293 379 Y C 2.265 177.902 175.900 -0.439 0.000 1.129 379 Y CA 1.437 59.034 58.100 -0.839 0.000 1.201 379 Y CB -0.205 37.562 38.460 -1.155 0.000 0.999 379 Y HN 0.218 nan 8.280 nan 0.000 0.541 380 D N 0.086 120.391 120.400 -0.158 0.000 2.097 380 D HA -0.188 4.458 4.640 0.010 0.000 0.195 380 D C 2.212 178.491 176.300 -0.036 0.000 0.989 380 D CA 1.630 55.668 54.000 0.064 0.000 0.827 380 D CB -0.352 40.639 40.800 0.319 0.000 0.966 380 D HN 0.410 nan 8.370 nan 0.000 0.456 381 A N 0.753 123.563 122.820 -0.017 0.000 1.873 381 A HA 0.056 4.382 4.320 0.010 0.000 0.215 381 A C 2.442 179.989 177.584 -0.061 0.000 1.186 381 A CA 2.446 54.477 52.037 -0.010 0.000 0.616 381 A CB -1.083 17.917 19.000 -0.001 0.000 0.823 381 A HN 0.309 nan 8.150 nan 0.000 0.442 382 A N -0.387 122.375 122.820 -0.097 0.000 1.917 382 A HA -0.137 4.189 4.320 0.010 0.000 0.219 382 A C 2.422 179.881 177.584 -0.209 0.000 1.182 382 A CA 2.257 54.234 52.037 -0.101 0.000 0.633 382 A CB -0.964 18.058 19.000 0.037 0.000 0.819 382 A HN 0.464 nan 8.150 nan 0.000 0.448 383 S N 0.426 115.899 115.700 -0.377 0.000 2.399 383 S HA -0.140 4.337 4.470 0.010 0.000 0.231 383 S C 1.808 176.327 174.600 -0.135 0.000 1.022 383 S CA 1.170 59.163 58.200 -0.344 0.000 0.983 383 S CB -0.446 62.459 63.200 -0.492 0.000 0.803 383 S HN 0.663 nan 8.310 nan 0.000 0.480 384 N N 1.450 120.113 118.700 -0.062 0.000 2.166 384 N HA -0.013 4.734 4.740 0.010 0.000 0.186 384 N C 1.445 176.971 175.510 0.026 0.000 1.019 384 N CA 0.727 53.814 53.050 0.062 0.000 0.856 384 N CB -0.505 38.084 38.487 0.170 0.000 0.993 384 N HN 0.206 nan 8.380 nan 0.000 0.426 385 L N 1.111 122.238 121.223 -0.161 0.000 2.027 385 L HA 0.012 4.358 4.340 0.010 0.000 0.206 385 L C 2.143 178.871 176.870 -0.236 0.000 1.074 385 L CA 1.164 55.758 54.840 -0.411 0.000 0.745 385 L CB -0.785 41.062 42.059 -0.353 0.000 0.898 385 L HN 0.138 nan 8.230 nan 0.000 0.433 386 I N -2.102 118.386 120.570 -0.137 0.000 2.233 386 I HA -0.218 3.958 4.170 0.010 0.000 0.243 386 I C 1.853 177.944 176.117 -0.044 0.000 1.093 386 I CA 0.244 61.496 61.300 -0.080 0.000 1.380 386 I CB -0.145 37.817 38.000 -0.063 0.000 1.067 386 I HN 0.184 nan 8.210 nan 0.000 0.413 387 K N 0.476 120.856 120.400 -0.034 0.000 1.902 387 K HA -0.302 4.025 4.320 0.010 0.000 0.144 387 K C 0.478 177.081 176.600 0.004 0.000 0.912 387 K CA 2.293 58.581 56.287 0.002 0.000 0.315 387 K CB -1.212 31.307 32.500 0.031 0.000 0.723 387 K HN 0.218 nan 8.250 nan 0.000 0.785 388 N N 0.449 119.157 118.700 0.013 0.000 2.282 388 N HA 0.082 4.828 4.740 0.010 0.000 0.240 388 N C -0.462 175.056 175.510 0.013 0.000 1.182 388 N CA 0.720 53.780 53.050 0.016 0.000 0.874 388 N CB 0.575 39.075 38.487 0.021 0.000 1.126 388 N HN 0.708 nan 8.380 nan 0.000 0.516 389 T N -2.216 112.341 114.554 0.006 0.000 2.770 389 T HA 0.398 4.754 4.350 0.010 0.000 0.281 389 T C 0.713 175.416 174.700 0.006 0.000 0.981 389 T CA -0.520 61.582 62.100 0.004 0.000 0.955 389 T CB 0.578 69.444 68.868 -0.003 0.000 1.060 389 T HN 0.181 nan 8.240 nan 0.000 0.531 390 K N 1.119 121.523 120.400 0.007 0.000 2.472 390 K HA 0.133 4.459 4.320 0.010 0.000 0.280 390 K C 0.454 177.058 176.600 0.007 0.000 1.028 390 K CA 0.118 56.411 56.287 0.009 0.000 1.045 390 K CB -0.932 31.573 32.500 0.009 0.000 0.902 390 K HN 0.716 nan 8.250 nan 0.000 0.478 391 K N 3.508 123.917 120.400 0.015 0.000 2.489 391 K HA 0.064 4.390 4.320 0.010 0.000 0.278 391 K C -1.871 174.732 176.600 0.004 0.000 1.000 391 K CA -1.046 55.253 56.287 0.020 0.000 1.012 391 K CB 0.488 33.011 32.500 0.038 0.000 0.903 391 K HN 0.629 nan 8.250 nan 0.000 0.485 392 P HA -0.060 nan 4.420 nan 0.000 0.270 392 P C 0.651 177.902 177.300 -0.081 0.000 1.223 392 P CA -0.061 63.011 63.100 -0.046 0.000 0.785 392 P CB 0.613 32.290 31.700 -0.039 0.000 0.923 393 V N -2.054 117.758 119.914 -0.169 0.000 3.541 393 V HA 0.502 4.628 4.120 0.010 0.000 0.267 393 V C 0.539 176.500 176.094 -0.222 0.000 1.213 393 V CA 0.832 63.036 62.300 -0.160 0.000 1.149 393 V CB -0.900 30.837 31.823 -0.144 0.000 0.822 393 V HN 0.749 nan 8.190 nan 0.000 0.462 394 A N 0.234 122.857 122.820 -0.329 0.000 2.605 394 A HA 0.749 5.076 4.320 0.010 0.000 0.294 394 A C -1.381 176.091 177.584 -0.187 0.000 1.062 394 A CA -0.536 51.343 52.037 -0.263 0.000 0.682 394 A CB 1.368 20.195 19.000 -0.288 0.000 1.278 394 A HN 0.125 nan 8.150 nan 0.000 0.410 395 I N 1.992 122.480 120.570 -0.137 0.000 2.355 395 I HA 0.257 4.433 4.170 0.010 0.000 0.288 395 I C -0.272 175.785 176.117 -0.100 0.000 0.999 395 I CA -0.436 60.785 61.300 -0.131 0.000 1.163 395 I CB 0.812 38.652 38.000 -0.267 0.000 1.316 395 I HN 0.688 nan 8.210 nan 0.000 0.454 396 N N 5.104 123.785 118.700 -0.032 0.000 2.406 396 N HA 0.515 5.261 4.740 0.010 0.000 0.251 396 N C -0.245 175.221 175.510 -0.073 0.000 1.069 396 N CA -0.276 52.756 53.050 -0.030 0.000 0.947 396 N CB 1.496 39.987 38.487 0.006 0.000 1.111 396 N HN 0.721 nan 8.380 nan 0.000 0.497 397 A N 2.124 124.888 122.820 -0.092 0.000 2.342 397 A HA 0.750 5.076 4.320 0.010 0.000 0.323 397 A C 0.080 177.612 177.584 -0.087 0.000 1.125 397 A CA -0.520 51.446 52.037 -0.117 0.000 0.785 397 A CB 1.115 20.007 19.000 -0.181 0.000 1.221 397 A HN 0.585 nan 8.150 nan 0.000 0.463 398 T N -1.555 112.954 114.554 -0.075 0.000 2.787 398 T HA 0.911 5.267 4.350 0.010 0.000 0.297 398 T C -0.041 174.633 174.700 -0.044 0.000 1.221 398 T CA -0.333 61.736 62.100 -0.053 0.000 1.006 398 T CB 1.267 70.115 68.868 -0.033 0.000 1.328 398 T HN 2.610 nan 8.240 nan 0.000 0.509 399 G N -1.054 107.727 108.800 -0.031 0.000 2.640 399 G HA2 0.391 4.357 3.960 0.010 0.000 0.686 399 G HA3 0.391 4.357 3.960 0.010 0.000 0.686 399 G C 0.662 175.551 174.900 -0.018 0.000 1.229 399 G CA -0.078 45.016 45.100 -0.010 0.000 0.796 399 G HN 1.539 nan 8.290 nan 0.000 0.654 400 G N -0.157 108.643 108.800 0.000 0.000 2.470 400 G HA2 0.048 4.014 3.960 0.010 0.000 0.220 400 G HA3 0.048 4.014 3.960 0.010 0.000 0.220 400 G C 1.539 176.413 174.900 -0.043 0.000 1.121 400 G CA 1.872 46.961 45.100 -0.019 0.000 0.766 400 G HN 1.041 nan 8.290 nan 0.000 0.553 401 F N 0.886 120.734 119.950 -0.170 0.000 2.325 401 F HA 0.224 4.757 4.527 0.010 0.000 0.299 401 F C 1.774 177.415 175.800 -0.266 0.000 1.090 401 F CA 0.481 58.325 58.000 -0.261 0.000 1.392 401 F CB 0.124 39.002 39.000 -0.204 0.000 1.053 401 F HN 0.009 nan 8.300 nan 0.000 0.521 402 L N 0.499 121.559 121.223 -0.272 0.000 2.728 402 L HA 0.092 4.438 4.340 0.010 0.000 0.235 402 L C 1.973 178.666 176.870 -0.295 0.000 1.197 402 L CA 0.024 54.650 54.840 -0.357 0.000 0.992 402 L CB -0.544 41.371 42.059 -0.239 0.000 1.263 402 L HN 0.066 nan 8.230 nan 0.000 0.484 403 K N 1.119 121.360 120.400 -0.266 0.000 2.026 403 K HA -0.093 4.233 4.320 0.010 0.000 0.208 403 K C 1.188 177.684 176.600 -0.173 0.000 1.048 403 K CA 1.052 57.232 56.287 -0.179 0.000 0.929 403 K CB 0.169 32.583 32.500 -0.143 0.000 0.713 403 K HN 0.412 nan 8.250 nan 0.000 0.439 404 S N 0.722 116.291 115.700 -0.218 0.000 2.584 404 S HA 0.066 4.542 4.470 0.010 0.000 0.273 404 S C 0.414 174.915 174.600 -0.166 0.000 1.311 404 S CA -0.752 57.366 58.200 -0.137 0.000 1.034 404 S CB 1.377 64.526 63.200 -0.086 0.000 0.939 404 S HN 0.106 nan 8.310 nan 0.000 0.513 405 D N 0.829 121.192 120.400 -0.062 0.000 2.149 405 D HA -0.100 4.547 4.640 0.010 0.000 0.198 405 D C 1.259 177.514 176.300 -0.074 0.000 0.990 405 D CA 1.088 55.059 54.000 -0.048 0.000 0.839 405 D CB -0.383 40.489 40.800 0.121 0.000 0.948 405 D HN 0.651 nan 8.370 nan 0.000 0.460 406 F N 1.210 121.076 119.950 -0.139 0.000 2.102 406 F HA -0.192 4.341 4.527 0.011 0.000 0.298 406 F C 2.115 177.794 175.800 -0.202 0.000 1.105 406 F CA 1.039 58.967 58.000 -0.120 0.000 1.239 406 F CB -0.479 38.479 39.000 -0.071 0.000 0.991 406 F HN -0.185 nan 8.300 nan 0.000 0.474 407 V N 0.976 120.594 119.914 -0.492 0.000 2.427 407 V HA -0.242 3.885 4.120 0.010 0.000 0.248 407 V C 2.509 178.242 176.094 -0.602 0.000 1.051 407 V CA 2.052 63.941 62.300 -0.686 0.000 1.048 407 V CB -0.715 30.649 31.823 -0.765 0.000 0.666 407 V HN 0.261 nan 8.190 nan 0.000 0.456 408 R N -0.128 120.014 120.500 -0.596 0.000 2.083 408 R HA -0.245 4.101 4.340 0.010 0.000 0.237 408 R C 2.428 178.346 176.300 -0.636 0.000 1.137 408 R CA 1.922 57.577 56.100 -0.741 0.000 0.951 408 R CB -0.376 29.169 30.300 -1.257 0.000 0.851 408 R HN 0.426 nan 8.270 nan 0.000 0.434 409 Q N 0.914 120.414 119.800 -0.501 0.000 2.119 409 Q HA -0.058 4.288 4.340 0.010 0.000 0.201 409 Q C 1.917 177.759 176.000 -0.264 0.000 0.972 409 Q CA 1.272 56.931 55.803 -0.239 0.000 0.847 409 Q CB -0.181 28.525 28.738 -0.053 0.000 0.903 409 Q HN 0.343 nan 8.270 nan 0.000 0.433 410 L N -0.755 120.210 121.223 -0.429 0.000 2.046 410 L HA -0.257 4.090 4.340 0.010 0.000 0.208 410 L C 2.191 178.801 176.870 -0.433 0.000 1.077 410 L CA 1.214 55.761 54.840 -0.488 0.000 0.747 410 L CB -0.283 41.343 42.059 -0.722 0.000 0.896 410 L HN 0.413 nan 8.230 nan 0.000 0.432 411 C N -0.834 118.236 119.300 -0.383 0.000 2.432 411 C HA -0.177 4.289 4.460 0.010 0.000 0.277 411 C C 3.054 177.927 174.990 -0.195 0.000 1.249 411 C CA 0.706 59.557 59.018 -0.278 0.000 1.725 411 C CB -1.164 26.344 27.740 -0.386 0.000 2.028 411 C HN 0.694 nan 8.230 nan 0.000 0.477 412 A N 1.450 124.140 122.820 -0.215 0.000 1.883 412 A HA -0.221 4.106 4.320 0.010 0.000 0.217 412 A C 1.864 179.410 177.584 -0.063 0.000 1.186 412 A CA 2.279 54.248 52.037 -0.112 0.000 0.624 412 A CB -0.662 18.299 19.000 -0.064 0.000 0.822 412 A HN 0.666 nan 8.150 nan 0.000 0.444 413 N N -0.091 118.551 118.700 -0.096 0.000 2.188 413 N HA -0.059 4.687 4.740 0.010 0.000 0.184 413 N C 1.607 177.042 175.510 -0.124 0.000 1.018 413 N CA 1.474 54.501 53.050 -0.040 0.000 0.858 413 N CB -0.416 38.098 38.487 0.045 0.000 0.989 413 N HN 0.593 nan 8.380 nan 0.000 0.426 414 I N -0.533 119.826 120.570 -0.353 0.000 2.277 414 I HA -0.143 4.033 4.170 0.010 0.000 0.243 414 I C 1.502 177.190 176.117 -0.716 0.000 1.094 414 I CA 0.821 61.784 61.300 -0.562 0.000 1.393 414 I CB -0.188 37.350 38.000 -0.771 0.000 1.078 414 I HN -0.039 nan 8.210 nan 0.000 0.417 415 F N 0.628 120.226 119.950 -0.588 0.000 2.293 415 F HA -0.124 4.410 4.527 0.011 0.000 0.300 415 F C 1.246 176.919 175.800 -0.211 0.000 1.086 415 F CA 0.697 58.454 58.000 -0.406 0.000 1.375 415 F CB -0.264 38.654 39.000 -0.136 0.000 1.045 415 F HN 0.160 nan 8.300 nan 0.000 0.516 416 N N 0.233 118.927 118.700 -0.010 0.000 2.735 416 N HA -0.188 4.559 4.740 0.010 0.000 0.248 416 N C -0.929 174.623 175.510 0.070 0.000 1.083 416 N CA 0.860 53.926 53.050 0.026 0.000 0.703 416 N CB -1.172 37.325 38.487 0.016 0.000 1.005 416 N HN 0.214 nan 8.380 nan 0.000 0.550 417 V N -4.070 115.889 119.914 0.075 0.000 3.114 417 V HA 0.881 5.008 4.120 0.010 0.000 0.308 417 V C -2.596 173.489 176.094 -0.014 0.000 1.168 417 V CA -2.088 60.240 62.300 0.046 0.000 1.015 417 V CB 2.321 34.175 31.823 0.053 0.000 1.050 417 V HN -0.104 nan 8.190 nan 0.000 0.433 418 P HA 0.340 nan 4.420 nan 0.000 0.268 418 P C -0.737 176.451 177.300 -0.186 0.000 1.205 418 P CA 0.029 63.023 63.100 -0.176 0.000 0.771 418 P CB 0.284 31.809 31.700 -0.292 0.000 0.858 419 I N 3.420 123.880 120.570 -0.182 0.000 2.321 419 I HA 0.190 4.367 4.170 0.010 0.000 0.291 419 I C -0.131 175.936 176.117 -0.084 0.000 0.998 419 I CA -0.571 60.635 61.300 -0.156 0.000 1.227 419 I CB 1.290 39.175 38.000 -0.192 0.000 1.368 419 I HN 0.022 nan 8.210 nan 0.000 0.466 420 V N 6.295 126.155 119.914 -0.090 0.000 2.347 420 V HA 0.329 4.455 4.120 0.010 0.000 0.280 420 V C 0.700 176.777 176.094 -0.028 0.000 1.021 420 V CA -0.557 61.710 62.300 -0.055 0.000 0.847 420 V CB 1.491 33.284 31.823 -0.049 0.000 0.990 420 V HN 0.898 nan 8.190 nan 0.000 0.444 424 E N 2.165 122.374 120.200 0.015 0.000 2.129 424 E HA 0.177 4.533 4.350 0.010 0.000 0.268 424 E C 0.418 177.028 176.600 0.016 0.000 0.900 424 E CA -0.073 56.344 56.400 0.028 0.000 0.755 424 E CB 1.149 30.881 29.700 0.053 0.000 1.117 424 E HN 0.012 nan 8.360 nan 0.000 0.410 425 Q N 2.574 122.383 119.800 0.014 0.000 2.311 425 Q HA -0.006 4.340 4.340 0.010 0.000 0.203 425 Q C 0.006 176.016 176.000 0.017 0.000 0.954 425 Q CA 0.670 56.477 55.803 0.007 0.000 0.885 425 Q CB 0.341 29.080 28.738 0.002 0.000 0.963 425 Q HN 0.548 nan 8.270 nan 0.000 0.471 426 Q N 1.184 121.003 119.800 0.033 0.000 3.179 426 Q HA 0.074 4.420 4.340 0.010 0.000 0.328 426 Q C 1.208 177.240 176.000 0.053 0.000 1.336 426 Q CA 0.021 55.852 55.803 0.047 0.000 0.939 426 Q CB -0.053 28.722 28.738 0.061 0.000 1.658 426 Q HN 0.322 nan 8.270 nan 0.000 0.486 427 S N -1.524 114.191 115.700 0.025 0.000 2.399 427 S HA -0.144 4.333 4.470 0.010 0.000 0.231 427 S C 1.790 176.393 174.600 0.004 0.000 1.022 427 S CA 1.088 59.290 58.200 0.003 0.000 0.983 427 S CB -0.179 63.009 63.200 -0.020 0.000 0.803 427 S HN 0.522 nan 8.310 nan 0.000 0.480 428 G N 2.186 111.001 108.800 0.026 0.000 2.414 428 G HA2 -0.156 3.810 3.960 0.010 0.000 0.215 428 G HA3 -0.156 3.810 3.960 0.010 0.000 0.215 428 G C 1.745 176.676 174.900 0.051 0.000 1.188 428 G CA 1.567 46.689 45.100 0.038 0.000 0.783 428 G HN 0.697 nan 8.290 nan 0.000 0.537 429 T N -0.260 114.341 114.554 0.078 0.000 2.867 429 T HA -0.023 4.333 4.350 0.010 0.000 0.268 429 T C 2.389 177.134 174.700 0.075 0.000 1.057 429 T CA 1.164 63.331 62.100 0.112 0.000 1.136 429 T CB -0.251 68.722 68.868 0.174 0.000 0.874 429 T HN 0.169 nan 8.240 nan 0.000 0.466 430 L N 1.008 122.261 121.223 0.050 0.000 2.012 430 L HA 0.007 4.354 4.340 0.010 0.000 0.210 430 L C 2.934 179.707 176.870 -0.161 0.000 1.073 430 L CA 1.783 56.547 54.840 -0.127 0.000 0.748 430 L CB -0.747 41.294 42.059 -0.030 0.000 0.891 430 L HN 0.372 nan 8.230 nan 0.000 0.431 431 A N -0.109 122.672 122.820 -0.065 0.000 1.968 431 A HA 0.164 4.490 4.320 0.010 0.000 0.217 431 A C 1.515 179.119 177.584 0.033 0.000 1.169 431 A CA 0.832 52.855 52.037 -0.022 0.000 0.638 431 A CB -0.835 18.129 19.000 -0.059 0.000 0.812 431 A HN 0.557 nan 8.150 nan 0.000 0.446 435 L N 1.200 122.380 121.223 -0.072 0.000 2.042 435 L HA -0.153 4.193 4.340 0.010 0.000 0.210 435 L C 2.678 179.443 176.870 -0.177 0.000 1.076 435 L CA 1.664 56.443 54.840 -0.102 0.000 0.749 435 L CB -1.070 41.008 42.059 0.031 0.000 0.893 435 L HN 0.373 nan 8.230 nan 0.000 0.432 436 A N 0.260 122.985 122.820 -0.157 0.000 1.877 436 A HA -0.216 4.111 4.320 0.010 0.000 0.216 436 A C 2.398 179.860 177.584 -0.204 0.000 1.186 436 A CA 1.575 53.528 52.037 -0.140 0.000 0.620 436 A CB -0.499 18.432 19.000 -0.115 0.000 0.822 436 A HN 0.331 nan 8.150 nan 0.000 0.443 437 R N -0.640 119.672 120.500 -0.314 0.000 2.105 437 R HA -0.174 4.173 4.340 0.010 0.000 0.239 437 R C 2.493 178.585 176.300 -0.346 0.000 1.135 437 R CA 1.699 57.597 56.100 -0.337 0.000 0.967 437 R CB -0.373 29.669 30.300 -0.429 0.000 0.861 437 R HN 0.700 nan 8.270 nan 0.000 0.442 438 Q N 0.071 119.587 119.800 -0.473 0.000 2.050 438 Q HA -0.131 4.215 4.340 0.010 0.000 0.202 438 Q C 2.278 178.167 176.000 -0.185 0.000 0.980 438 Q CA 1.623 57.222 55.803 -0.339 0.000 0.840 438 Q CB -0.192 28.339 28.738 -0.344 0.000 0.898 438 Q HN 0.373 nan 8.270 nan 0.000 0.424 439 A N 0.872 123.600 122.820 -0.153 0.000 1.940 439 A HA -0.149 4.177 4.320 0.010 0.000 0.219 439 A C 1.923 179.454 177.584 -0.089 0.000 1.176 439 A CA 1.169 53.150 52.037 -0.093 0.000 0.631 439 A CB -0.579 18.384 19.000 -0.062 0.000 0.814 439 A HN 0.311 nan 8.150 nan 0.000 0.446 440 L N -1.212 119.949 121.223 -0.103 0.000 2.599 440 L HA 0.167 4.513 4.340 0.010 0.000 0.230 440 L C 1.700 178.522 176.870 -0.081 0.000 1.141 440 L CA 0.477 55.266 54.840 -0.085 0.000 0.877 440 L CB -0.355 41.654 42.059 -0.083 0.000 1.009 440 L HN 0.593 nan 8.230 nan 0.000 0.447 441 G N 0.100 108.845 108.800 -0.091 0.000 2.162 441 G HA2 -0.301 3.665 3.960 0.010 0.000 0.260 441 G HA3 -0.301 3.665 3.960 0.010 0.000 0.260 441 G C 0.788 175.649 174.900 -0.066 0.000 0.976 441 G CA 0.421 45.477 45.100 -0.073 0.000 0.655 441 G HN 0.355 nan 8.290 nan 0.000 0.533 442 L N -0.879 120.293 121.223 -0.085 0.000 2.341 442 L HA 0.239 4.585 4.340 0.010 0.000 0.214 442 L C 1.129 177.977 176.870 -0.036 0.000 1.115 442 L CA 0.811 55.618 54.840 -0.056 0.000 0.820 442 L CB -0.029 41.992 42.059 -0.063 0.000 0.944 442 L HN 0.292 nan 8.230 nan 0.000 0.452 443 N N -1.881 116.761 118.700 -0.097 0.000 2.284 443 N HA 0.201 4.947 4.740 0.010 0.000 0.289 443 N C -0.019 175.444 175.510 -0.078 0.000 1.179 443 N CA -0.493 52.525 53.050 -0.054 0.000 0.774 443 N CB 2.121 40.559 38.487 -0.082 0.000 1.548 443 N HN -0.097 nan 8.380 nan 0.000 0.473 444 Q N 0.369 120.173 119.800 0.007 0.000 2.530 444 Q HA 0.201 4.547 4.340 0.010 0.000 0.198 444 Q C -0.790 175.247 176.000 0.061 0.000 0.956 444 Q CA 0.392 56.202 55.803 0.010 0.000 0.870 444 Q CB 0.395 29.144 28.738 0.019 0.000 1.050 444 Q HN 0.559 nan 8.270 nan 0.000 0.604 445 D N 1.369 121.835 120.400 0.109 0.000 2.313 445 D HA 0.047 4.694 4.640 0.010 0.000 0.247 445 D C 0.931 177.372 176.300 0.234 0.000 1.094 445 D CA -0.177 53.902 54.000 0.131 0.000 0.925 445 D CB 1.465 42.322 40.800 0.095 0.000 1.188 445 D HN 0.190 nan 8.370 nan 0.000 0.430 446 L N 2.209 123.542 121.223 0.184 0.000 2.079 446 L HA -0.231 4.115 4.340 0.010 0.000 0.210 446 L C 2.151 179.029 176.870 0.013 0.000 1.081 446 L CA 1.862 56.807 54.840 0.175 0.000 0.752 446 L CB -0.786 41.305 42.059 0.054 0.000 0.896 446 L HN 0.507 nan 8.230 nan 0.000 0.433 447 S N -1.501 114.211 115.700 0.020 0.000 2.440 447 S HA -0.225 4.251 4.470 0.010 0.000 0.238 447 S C 1.651 176.214 174.600 -0.063 0.000 1.010 447 S CA 1.255 59.430 58.200 -0.042 0.000 0.972 447 S CB -0.767 62.428 63.200 -0.008 0.000 0.774 447 S HN 0.654 nan 8.310 nan 0.000 0.501 448 E N 0.751 120.975 120.200 0.040 0.000 2.409 448 E HA 0.078 4.434 4.350 0.010 0.000 0.198 448 E C 1.707 178.291 176.600 -0.025 0.000 1.024 448 E CA 0.596 57.050 56.400 0.090 0.000 0.861 448 E CB -0.347 29.523 29.700 0.284 0.000 0.788 448 E HN 0.621 nan 8.360 nan 0.000 0.521 449 I N 0.832 121.115 120.570 -0.479 0.000 2.567 449 I HA -0.174 4.002 4.170 0.010 0.000 0.257 449 I C 2.117 178.080 176.117 -0.256 0.000 1.184 449 I CA 0.775 61.638 61.300 -0.729 0.000 1.451 449 I CB -0.104 37.188 38.000 -1.180 0.000 1.089 449 I HN 0.120 nan 8.210 nan 0.000 0.441 450 G N 0.703 109.366 108.800 -0.229 0.000 2.485 450 G HA2 -0.326 3.641 3.960 0.010 0.000 0.221 450 G HA3 -0.326 3.641 3.960 0.010 0.000 0.221 450 G C 1.404 176.184 174.900 -0.200 0.000 1.115 450 G CA 0.934 45.924 45.100 -0.183 0.000 0.751 450 G HN 0.694 nan 8.290 nan 0.000 0.567 451 Q N -1.170 118.447 119.800 -0.305 0.000 2.369 451 Q HA 0.109 4.455 4.340 0.010 0.000 0.206 451 Q C 1.767 177.418 176.000 -0.581 0.000 0.963 451 Q CA 0.792 56.308 55.803 -0.478 0.000 0.894 451 Q CB -0.241 28.120 28.738 -0.628 0.000 0.965 451 Q HN 0.480 nan 8.270 nan 0.000 0.475 452 F N 1.204 121.108 119.950 -0.077 0.000 2.500 452 F HA 0.376 4.860 4.527 -0.073 0.000 0.285 452 F C 1.198 176.951 175.800 -0.077 0.000 1.088 452 F CA -0.028 57.934 58.000 -0.064 0.000 1.432 452 F CB 0.172 39.132 39.000 -0.067 0.000 1.131 452 F HN 0.017 nan 8.300 nan 0.000 0.582 453 A N 1.579 124.421 122.820 0.037 0.000 2.923 453 A HA 0.353 4.679 4.320 0.010 0.000 0.306 453 A C -0.094 177.458 177.584 -0.053 0.000 1.542 453 A CA -0.338 51.685 52.037 -0.023 0.000 1.225 453 A CB -0.723 18.228 19.000 -0.082 0.000 1.147 453 A HN 0.268 nan 8.150 nan 0.000 0.542 454 Q N 0.894 120.674 119.800 -0.035 0.000 2.222 454 Q HA 0.582 4.928 4.340 0.010 0.000 0.252 454 Q C 0.138 176.115 176.000 -0.038 0.000 0.926 454 Q CA -0.507 55.267 55.803 -0.048 0.000 0.899 454 Q CB 1.957 30.668 28.738 -0.045 0.000 1.250 454 Q HN 0.736 nan 8.270 nan 0.000 0.441 455 A N 1.374 124.168 122.820 -0.043 0.000 2.371 455 A HA 0.099 4.425 4.320 0.010 0.000 0.257 455 A C 0.018 177.583 177.584 -0.033 0.000 1.089 455 A CA -0.128 51.887 52.037 -0.036 0.000 0.794 455 A CB 0.493 19.471 19.000 -0.037 0.000 1.029 455 A HN 0.872 nan 8.150 nan 0.000 0.488 456 D N 0.302 120.685 120.400 -0.029 0.000 3.032 456 D HA 0.211 4.857 4.640 0.010 0.000 0.280 456 D C 0.011 176.282 176.300 -0.047 0.000 1.381 456 D CA 1.082 55.066 54.000 -0.027 0.000 1.068 456 D CB 0.197 40.990 40.800 -0.011 0.000 1.148 456 D HN 0.436 nan 8.370 nan 0.000 0.401 457 K N -0.368 120.001 120.400 -0.051 0.000 2.318 457 K HA 0.636 4.962 4.320 0.010 0.000 0.249 457 K C -1.331 175.151 176.600 -0.197 0.000 0.942 457 K CA -0.808 55.391 56.287 -0.146 0.000 0.808 457 K CB 3.041 35.439 32.500 -0.170 0.000 1.189 457 K HN -0.134 nan 8.250 nan 0.000 0.428 458 V N 2.743 122.440 119.914 -0.362 0.000 2.555 458 V HA 0.443 4.569 4.120 0.010 0.000 0.302 458 V C -1.304 174.388 176.094 -0.670 0.000 1.038 458 V CA -0.855 61.190 62.300 -0.425 0.000 0.887 458 V CB 1.167 32.700 31.823 -0.483 0.000 0.991 458 V HN 0.604 nan 8.190 nan 0.000 0.434 459 Y N 3.345 123.399 120.300 -0.410 0.000 2.338 459 Y HA 0.618 5.174 4.550 0.010 0.000 0.328 459 Y C -0.285 175.395 175.900 -0.367 0.000 0.965 459 Y CA -0.560 57.371 58.100 -0.282 0.000 1.208 459 Y CB 1.307 39.656 38.460 -0.184 0.000 1.132 459 Y HN 0.501 nan 8.280 nan 0.000 0.469 460 F N 4.132 124.113 119.950 0.052 0.000 2.375 460 F HA 0.450 4.984 4.527 0.011 0.000 0.333 460 F C -1.995 173.829 175.800 0.039 0.000 1.104 460 F CA -2.794 55.223 58.000 0.029 0.000 1.149 460 F CB 0.472 39.474 39.000 0.004 0.000 1.190 460 F HN 0.300 nan 8.300 nan 0.000 0.533 461 P HA -0.082 nan 4.420 nan 0.000 0.264 461 P C -0.558 176.820 177.300 0.129 0.000 1.193 461 P CA -0.034 63.140 63.100 0.123 0.000 0.763 461 P CB 0.341 32.100 31.700 0.099 0.000 0.810 462 N N 5.366 124.131 118.700 0.109 0.000 2.411 462 N HA 0.071 4.817 4.740 0.010 0.000 0.259 462 N C -1.663 173.896 175.510 0.081 0.000 1.103 462 N CA -1.831 51.275 53.050 0.094 0.000 0.954 462 N CB 0.696 39.240 38.487 0.096 0.000 1.085 462 N HN 0.125 nan 8.380 nan 0.000 0.485 463 P HA -0.140 nan 4.420 nan 0.000 0.215 463 P C 1.175 178.505 177.300 0.050 0.000 1.153 463 P CA 1.410 64.542 63.100 0.053 0.000 0.853 463 P CB 0.390 32.113 31.700 0.038 0.000 0.788 464 K N 0.034 120.460 120.400 0.044 0.000 1.985 464 K HA -0.166 4.160 4.320 0.010 0.000 0.210 464 K C 2.119 178.735 176.600 0.028 0.000 1.047 464 K CA 1.496 57.802 56.287 0.032 0.000 0.932 464 K CB -0.294 32.223 32.500 0.028 0.000 0.716 464 K HN 0.074 nan 8.250 nan 0.000 0.439 465 E N -0.088 120.140 120.200 0.047 0.000 2.110 465 E HA -0.208 4.148 4.350 0.010 0.000 0.193 465 E C 1.964 178.632 176.600 0.113 0.000 0.988 465 E CA 0.977 57.405 56.400 0.047 0.000 0.804 465 E CB -0.120 29.668 29.700 0.146 0.000 0.745 465 E HN 0.400 nan 8.360 nan 0.000 0.458 466 A N 1.676 124.579 122.820 0.138 0.000 1.908 466 A HA -0.188 4.138 4.320 0.010 0.000 0.218 466 A C 2.420 180.074 177.584 0.116 0.000 1.181 466 A CA 1.914 54.038 52.037 0.145 0.000 0.627 466 A CB -0.611 18.443 19.000 0.091 0.000 0.818 466 A HN 0.305 nan 8.150 nan 0.000 0.445 467 A N -1.165 121.697 122.820 0.071 0.000 1.902 467 A HA -0.073 4.253 4.320 0.010 0.000 0.217 467 A C 2.309 179.917 177.584 0.041 0.000 1.181 467 A CA 2.276 54.346 52.037 0.056 0.000 0.623 467 A CB -1.275 17.747 19.000 0.038 0.000 0.818 467 A HN 0.440 nan 8.150 nan 0.000 0.443 468 T N -1.028 113.510 114.554 -0.026 0.000 2.684 468 T HA -0.172 4.184 4.350 0.010 0.000 0.267 468 T C 1.733 176.391 174.700 -0.070 0.000 1.036 468 T CA 1.920 63.954 62.100 -0.111 0.000 1.148 468 T CB -0.469 68.230 68.868 -0.282 0.000 0.863 468 T HN 0.540 nan 8.240 nan 0.000 0.436 469 Y N 1.271 121.645 120.300 0.122 0.000 2.293 469 Y HA -0.034 4.522 4.550 0.011 0.000 0.291 469 Y C 2.712 178.740 175.900 0.213 0.000 1.137 469 Y CA 0.551 58.770 58.100 0.198 0.000 1.202 469 Y CB -0.553 37.951 38.460 0.073 0.000 0.990 469 Y HN 0.250 nan 8.280 nan 0.000 0.537 470 Q N 0.577 120.528 119.800 0.253 0.000 2.167 470 Q HA -0.219 4.127 4.340 0.010 0.000 0.202 470 Q C 2.231 178.353 176.000 0.203 0.000 0.970 470 Q CA 1.689 57.617 55.803 0.209 0.000 0.855 470 Q CB -0.025 28.796 28.738 0.138 0.000 0.911 470 Q HN 0.423 nan 8.270 nan 0.000 0.438 471 K N -0.412 120.082 120.400 0.156 0.000 2.167 471 K HA -0.101 4.225 4.320 0.010 0.000 0.203 471 K C 1.811 178.492 176.600 0.134 0.000 1.052 471 K CA 0.589 56.948 56.287 0.120 0.000 0.956 471 K CB 0.064 32.611 32.500 0.077 0.000 0.735 471 K HN 0.222 nan 8.250 nan 0.000 0.451 472 L N 0.522 121.861 121.223 0.193 0.000 2.270 472 L HA 0.072 4.418 4.340 0.010 0.000 0.210 472 L C 1.749 178.679 176.870 0.099 0.000 1.104 472 L CA 1.068 56.026 54.840 0.197 0.000 0.804 472 L CB -0.534 41.721 42.059 0.327 0.000 0.937 472 L HN 0.140 nan 8.230 nan 0.000 0.450 473 F N 1.706 121.621 119.950 -0.058 0.000 2.126 473 F HA -0.084 4.450 4.527 0.011 0.000 0.299 473 F C -0.645 175.094 175.800 -0.102 0.000 1.096 473 F CA 1.188 59.015 58.000 -0.288 0.000 1.255 473 F CB -1.664 37.315 39.000 -0.035 0.000 0.997 473 F HN 0.167 nan 8.300 nan 0.000 0.479 474 P HA -0.172 nan 4.420 nan 0.000 0.216 474 P C 1.982 179.179 177.300 -0.172 0.000 1.150 474 P CA 1.214 64.198 63.100 -0.193 0.000 0.837 474 P CB -0.138 31.535 31.700 -0.044 0.000 0.786 475 L N -1.484 119.684 121.223 -0.092 0.000 2.056 475 L HA -0.146 4.201 4.340 0.010 0.000 0.207 475 L C 2.346 179.159 176.870 -0.096 0.000 1.078 475 L CA 1.657 56.460 54.840 -0.062 0.000 0.749 475 L CB -1.554 40.509 42.059 0.006 0.000 0.901 475 L HN -0.074 nan 8.230 nan 0.000 0.433 476 Y N -0.495 119.631 120.300 -0.290 0.000 2.128 476 Y HA -0.339 4.217 4.550 0.011 0.000 0.284 476 Y C 2.587 178.308 175.900 -0.298 0.000 1.154 476 Y CA 2.224 60.136 58.100 -0.313 0.000 1.149 476 Y CB -0.644 37.490 38.460 -0.543 0.000 0.976 476 Y HN 0.300 nan 8.280 nan 0.000 0.505 477 C N 0.642 119.779 119.300 -0.273 0.000 2.435 477 C HA -0.109 4.357 4.460 0.010 0.000 0.279 477 C C 2.579 177.442 174.990 -0.212 0.000 1.321 477 C CA 0.861 59.711 59.018 -0.281 0.000 1.752 477 C CB -0.857 26.647 27.740 -0.393 0.000 1.959 477 C HN 0.578 nan 8.230 nan 0.000 0.500 478 E N 1.004 121.095 120.200 -0.181 0.000 2.051 478 E HA -0.116 4.241 4.350 0.010 0.000 0.192 478 E C 2.130 178.653 176.600 -0.129 0.000 0.991 478 E CA 1.122 57.446 56.400 -0.126 0.000 0.799 478 E CB -0.253 29.393 29.700 -0.091 0.000 0.748 478 E HN 0.511 nan 8.360 nan 0.000 0.449 479 I N 1.196 121.668 120.570 -0.162 0.000 2.252 479 I HA -0.205 3.971 4.170 0.010 0.000 0.245 479 I C 2.531 178.547 176.117 -0.169 0.000 1.102 479 I CA 0.905 62.113 61.300 -0.154 0.000 1.385 479 I CB -1.175 36.726 38.000 -0.165 0.000 1.064 479 I HN 0.116 nan 8.210 nan 0.000 0.414 480 R N 1.808 122.159 120.500 -0.247 0.000 2.083 480 R HA -0.199 4.147 4.340 0.010 0.000 0.237 480 R C 1.763 178.019 176.300 -0.073 0.000 1.137 480 R CA 1.817 57.831 56.100 -0.142 0.000 0.951 480 R CB -0.500 29.692 30.300 -0.181 0.000 0.851 480 R HN 0.349 nan 8.270 nan 0.000 0.434 481 N N 1.023 119.665 118.700 -0.096 0.000 2.120 481 N HA -0.131 4.615 4.740 0.010 0.000 0.188 481 N C 1.709 177.168 175.510 -0.085 0.000 1.024 481 N CA 1.762 54.765 53.050 -0.077 0.000 0.852 481 N CB -0.512 37.930 38.487 -0.076 0.000 1.003 481 N HN 0.383 nan 8.380 nan 0.000 0.424 482 A N 0.490 123.256 122.820 -0.090 0.000 1.972 482 A HA -0.001 4.325 4.320 0.010 0.000 0.219 482 A C 2.132 179.647 177.584 -0.115 0.000 1.169 482 A CA 0.931 52.916 52.037 -0.086 0.000 0.635 482 A CB -0.423 18.534 19.000 -0.072 0.000 0.810 482 A HN 0.246 nan 8.150 nan 0.000 0.446 483 L N -1.351 119.787 121.223 -0.142 0.000 2.585 483 L HA 0.141 4.488 4.340 0.010 0.000 0.226 483 L C 2.699 179.277 176.870 -0.488 0.000 1.113 483 L CA 0.426 55.109 54.840 -0.262 0.000 0.876 483 L CB -0.177 41.773 42.059 -0.181 0.000 1.072 483 L HN 0.379 nan 8.230 nan 0.000 0.468 484 A N 0.798 123.464 122.820 -0.256 0.000 1.948 484 A HA -0.217 4.110 4.320 0.010 0.000 0.220 484 A C 2.230 179.667 177.584 -0.244 0.000 1.177 484 A CA 2.009 53.936 52.037 -0.183 0.000 0.636 484 A CB -0.430 18.533 19.000 -0.061 0.000 0.815 484 A HN 0.376 nan 8.150 nan 0.000 0.449 485 A N -1.225 121.465 122.820 -0.216 0.000 2.278 485 A HA 0.376 4.703 4.320 0.010 0.000 0.212 485 A C 1.660 179.136 177.584 -0.179 0.000 1.213 485 A CA 0.879 52.826 52.037 -0.149 0.000 0.840 485 A CB -0.223 18.720 19.000 -0.094 0.000 0.866 485 A HN 0.332 nan 8.150 nan 0.000 0.489 486 S N -1.523 113.970 115.700 -0.346 0.000 2.540 486 S HA 0.138 4.614 4.470 0.010 0.000 0.218 486 S C 0.952 175.531 174.600 -0.034 0.000 0.977 486 S CA -0.198 57.871 58.200 -0.219 0.000 0.918 486 S CB -0.374 62.707 63.200 -0.198 0.000 0.806 486 S HN 0.743 nan 8.310 nan 0.000 0.496 487 Y N 1.149 121.545 120.300 0.159 0.000 2.420 487 Y HA 0.083 4.639 4.550 0.011 0.000 0.292 487 Y C 2.636 178.676 175.900 0.234 0.000 1.119 487 Y CA 0.305 58.545 58.100 0.233 0.000 1.229 487 Y CB -0.391 38.098 38.460 0.048 0.000 1.026 487 Y HN 0.383 nan 8.280 nan 0.000 0.554 488 G N 0.200 109.138 108.800 0.230 0.000 2.448 488 G HA2 -0.255 3.711 3.960 0.010 0.000 0.219 488 G HA3 -0.255 3.711 3.960 0.010 0.000 0.219 488 G C 1.582 176.549 174.900 0.112 0.000 1.127 488 G CA 0.744 45.928 45.100 0.140 0.000 0.766 488 G HN 0.153 nan 8.290 nan 0.000 0.552 489 K N 0.462 120.907 120.400 0.075 0.000 2.103 489 K HA -0.023 4.303 4.320 0.010 0.000 0.207 489 K C 1.758 178.301 176.600 -0.096 0.000 1.048 489 K CA 0.693 56.941 56.287 -0.065 0.000 0.930 489 K CB -0.634 31.749 32.500 -0.196 0.000 0.716 489 K HN 0.363 nan 8.250 nan 0.000 0.444 490 F N -0.147 119.830 119.950 0.045 0.000 2.722 490 F HA 0.037 4.571 4.527 0.011 0.000 0.298 490 F C 0.965 176.781 175.800 0.027 0.000 1.175 490 F CA 0.366 58.392 58.000 0.043 0.000 1.462 490 F CB 0.017 39.054 39.000 0.062 0.000 1.111 490 F HN -0.127 nan 8.300 nan 0.000 0.592 491 S N 0.000 115.782 115.700 0.136 0.000 2.498 491 S HA 0.000 4.476 4.470 0.010 0.000 0.327 491 S CA 0.000 58.254 58.200 0.089 0.000 1.107 491 S CB 0.000 63.259 63.200 0.098 0.000 0.593 491 S HN 0.000 nan 8.310 nan 0.000 0.517