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 1pkn_1_A DATA FIRST_RESID 12 DATA SEQUENCE IQTQQLHAAM ADTFLEHMCR LDIDSAPITA RNTGIICTIG PASRSVETLK DATA SEQUENCE EMIKSGMNVA RMNFSHGTHE YHAETIKNVR TATESFASDP ILYRPVAVAL DATA SEQUENCE DTKGPEIRTG LIKGSXXXXX ELKKGATLKI TLDNAYMAAC DENILWLDYK DATA SEQUENCE NICKVVEVGS KVYVDDGLIS LQVKQKGPDF LVTEVENGGF LGSKKGVNLP DATA SEQUENCE GAAVDLPAVS EKDIQDLKFG VDEDVDMVFA SFIRKAADVH EVRKILGEKG DATA SEQUENCE KNIKIISKIE NHEGVRRFDE ILEASDGIMV ARGDLGIEIP AEKVFLAQKM DATA SEQUENCE IIGRCNRAGK PVICATQMLE SMIKKPRPTR AEGSDVANAV LDGADCIMLS DATA SEQUENCE GETAKGDYPL EAVRMQHLIA REAEAAMFHR KLFEELARSS SHSTDLMEAM DATA SEQUENCE AMGSVEASYK CLAAALIVLT ESGRSAHQVA RYRPRAPIIA VTRNHQTARQ DATA SEQUENCE AHLYRGIFPV VCKDPVQEAW AEDVDLRVNL AMNVGKAAGF FKKGDVVIVL DATA SEQUENCE TGWRPGSGFT NTMRVVPVP 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 12 I HA 0.000 nan 4.170 nan 0.000 0.288 12 I C 0.000 176.119 176.117 0.003 0.000 1.063 12 I CA 0.000 61.297 61.300 -0.004 0.000 1.566 12 I CB 0.000 38.003 38.000 0.005 0.000 1.214 13 Q N 1.835 121.639 119.800 0.007 0.000 2.631 13 Q HA 0.475 4.816 4.340 0.001 0.000 0.210 13 Q C 0.035 176.052 176.000 0.028 0.000 1.094 13 Q CA 0.578 56.392 55.803 0.019 0.000 1.055 13 Q CB 1.009 29.767 28.738 0.034 0.000 1.261 13 Q HN 0.633 nan 8.270 nan 0.000 0.615 14 T N -0.932 113.642 114.554 0.033 0.000 2.883 14 T HA 0.198 4.549 4.350 0.001 0.000 0.296 14 T C -1.137 173.588 174.700 0.042 0.000 1.117 14 T CA -0.309 61.810 62.100 0.032 0.000 1.006 14 T CB 1.200 70.083 68.868 0.025 0.000 1.191 14 T HN 0.689 nan 8.240 nan 0.000 0.508 15 Q N 1.183 121.007 119.800 0.039 0.000 2.494 15 Q HA -0.193 4.148 4.340 0.001 0.000 0.266 15 Q C -0.392 175.655 176.000 0.078 0.000 1.053 15 Q CA 0.998 56.832 55.803 0.052 0.000 1.029 15 Q CB -1.025 27.740 28.738 0.045 0.000 1.423 15 Q HN 0.841 nan 8.270 nan 0.000 0.516 16 Q N -0.771 119.069 119.800 0.066 0.000 2.437 16 Q HA -0.215 4.126 4.340 0.001 0.000 0.354 16 Q C 0.321 176.390 176.000 0.115 0.000 1.402 16 Q CA 0.990 56.836 55.803 0.071 0.000 1.020 16 Q CB -0.872 27.896 28.738 0.051 0.000 1.220 16 Q HN 0.659 nan 8.270 nan 0.000 0.368 17 L N -0.662 120.630 121.223 0.116 0.000 2.375 17 L HA -0.045 4.295 4.340 0.001 0.000 0.215 17 L C 1.924 178.899 176.870 0.175 0.000 1.108 17 L CA 0.648 55.566 54.840 0.130 0.000 0.830 17 L CB -0.214 41.901 42.059 0.092 0.000 0.959 17 L HN 0.547 nan 8.230 nan 0.000 0.457 18 H N 0.796 119.895 119.070 0.047 0.000 2.423 18 H HA -0.039 4.518 4.556 0.001 0.000 0.297 18 H C 2.002 177.362 175.328 0.053 0.000 1.075 18 H CA 1.219 57.289 56.048 0.037 0.000 1.342 18 H CB 0.274 30.042 29.762 0.011 0.000 1.395 18 H HN 0.232 nan 8.280 nan 0.000 0.530 19 A N 0.472 123.298 122.820 0.009 0.000 1.970 19 A HA 0.165 4.486 4.320 0.001 0.000 0.216 19 A C 2.538 180.298 177.584 0.294 0.000 1.170 19 A CA 1.066 53.089 52.037 -0.022 0.000 0.645 19 A CB -0.925 17.960 19.000 -0.190 0.000 0.816 19 A HN 0.512 nan 8.150 nan 0.000 0.447 20 A N -0.915 122.077 122.820 0.286 0.000 2.121 20 A HA -0.013 4.308 4.320 0.001 0.000 0.218 20 A C 1.986 179.724 177.584 0.257 0.000 1.154 20 A CA 1.460 53.679 52.037 0.303 0.000 0.679 20 A CB -0.414 18.715 19.000 0.215 0.000 0.795 20 A HN 0.447 nan 8.150 nan 0.000 0.458 21 M N -0.575 119.152 119.600 0.211 0.000 2.476 21 M HA 0.181 4.661 4.480 0.001 0.000 0.262 21 M C 1.317 177.727 176.300 0.183 0.000 1.111 21 M CA 0.449 55.853 55.300 0.174 0.000 1.127 21 M CB -1.191 31.508 32.600 0.165 0.000 1.376 21 M HN 0.389 nan 8.290 nan 0.000 0.465 22 A N 2.464 125.396 122.820 0.187 0.000 2.547 22 A HA -0.025 4.296 4.320 0.001 0.000 0.233 22 A C 1.012 178.755 177.584 0.265 0.000 1.067 22 A CA 0.538 52.670 52.037 0.158 0.000 0.763 22 A CB 0.077 19.103 19.000 0.042 0.000 1.007 22 A HN 0.553 nan 8.150 nan 0.000 0.506 23 D N 0.253 120.762 120.400 0.182 0.000 2.216 23 D HA -0.004 4.637 4.640 0.001 0.000 0.208 23 D C 0.798 177.237 176.300 0.232 0.000 0.960 23 D CA 1.370 55.476 54.000 0.177 0.000 0.861 23 D CB -0.316 40.545 40.800 0.103 0.000 0.985 23 D HN 0.459 nan 8.370 nan 0.000 0.493 24 T N -1.181 113.493 114.554 0.201 0.000 2.912 24 T HA 0.275 4.626 4.350 0.001 0.000 0.288 24 T C 0.206 175.036 174.700 0.217 0.000 1.030 24 T CA -0.827 61.401 62.100 0.214 0.000 1.020 24 T CB 1.046 69.980 68.868 0.110 0.000 1.056 24 T HN -0.121 nan 8.240 nan 0.000 0.480 25 F N 3.868 123.886 119.950 0.114 0.000 2.091 25 F HA -0.041 4.487 4.527 0.001 0.000 0.299 25 F C 1.753 177.498 175.800 -0.091 0.000 1.103 25 F CA 1.507 59.498 58.000 -0.016 0.000 1.228 25 F CB -0.795 38.259 39.000 0.089 0.000 0.984 25 F HN 0.548 nan 8.300 nan 0.000 0.477 26 L N 0.778 121.902 121.223 -0.166 0.000 2.043 26 L HA -0.203 4.137 4.340 0.001 0.000 0.212 26 L C 2.338 179.047 176.870 -0.270 0.000 1.075 26 L CA 2.026 56.685 54.840 -0.301 0.000 0.752 26 L CB -1.070 40.910 42.059 -0.131 0.000 0.891 26 L HN 0.157 nan 8.230 nan 0.000 0.432 27 E N -1.384 118.720 120.200 -0.160 0.000 2.152 27 E HA -0.250 4.100 4.350 0.001 0.000 0.192 27 E C 2.093 178.560 176.600 -0.221 0.000 0.983 27 E CA 1.071 57.380 56.400 -0.152 0.000 0.818 27 E CB -0.107 29.550 29.700 -0.071 0.000 0.758 27 E HN 0.708 nan 8.360 nan 0.000 0.467 28 H N 0.104 118.937 119.070 -0.395 0.000 2.389 28 H HA 0.035 4.592 4.556 0.001 0.000 0.299 28 H C 2.079 177.159 175.328 -0.413 0.000 1.081 28 H CA 1.665 57.407 56.048 -0.510 0.000 1.345 28 H CB 0.009 29.157 29.762 -1.023 0.000 1.393 28 H HN 0.026 nan 8.280 nan 0.000 0.520 29 M N -1.073 118.204 119.600 -0.538 0.000 2.123 29 M HA -0.159 4.322 4.480 0.001 0.000 0.263 29 M C 2.410 178.479 176.300 -0.385 0.000 1.069 29 M CA 1.194 56.178 55.300 -0.526 0.000 1.133 29 M CB -0.215 32.051 32.600 -0.556 0.000 1.356 29 M HN 0.420 nan 8.290 nan 0.000 0.415 30 C N 0.151 119.258 119.300 -0.322 0.000 2.396 30 C HA -0.188 4.273 4.460 0.001 0.000 0.277 30 C C 2.510 177.361 174.990 -0.231 0.000 1.231 30 C CA 1.096 59.974 59.018 -0.235 0.000 1.775 30 C CB -1.231 26.395 27.740 -0.190 0.000 2.036 30 C HN 0.454 nan 8.230 nan 0.000 0.484 31 R N -0.115 120.206 120.500 -0.298 0.000 2.313 31 R HA 0.184 4.525 4.340 0.001 0.000 0.199 31 R C 0.254 176.393 176.300 -0.269 0.000 0.958 31 R CA -0.052 55.854 56.100 -0.322 0.000 1.047 31 R CB -0.110 29.915 30.300 -0.457 0.000 0.955 31 R HN 0.530 nan 8.270 nan 0.000 0.481 32 L N 1.160 122.218 121.223 -0.274 0.000 2.485 32 L HA 0.029 4.369 4.340 0.001 0.000 0.275 32 L C 0.179 176.976 176.870 -0.122 0.000 1.207 32 L CA 0.455 55.169 54.840 -0.211 0.000 0.855 32 L CB 0.274 42.196 42.059 -0.228 0.000 1.114 32 L HN -0.042 nan 8.230 nan 0.000 0.485 33 D N 2.771 123.126 120.400 -0.076 0.000 2.593 33 D HA 0.154 4.795 4.640 0.001 0.000 0.251 33 D C 0.906 177.188 176.300 -0.029 0.000 1.140 33 D CA -0.485 53.492 54.000 -0.038 0.000 0.855 33 D CB 1.906 42.703 40.800 -0.005 0.000 1.267 33 D HN 0.453 nan 8.370 nan 0.000 0.532 34 I N 0.990 121.543 120.570 -0.029 0.000 2.361 34 I HA -0.119 4.052 4.170 0.001 0.000 0.251 34 I C 0.244 176.354 176.117 -0.011 0.000 1.133 34 I CA 1.411 62.698 61.300 -0.022 0.000 1.413 34 I CB -0.076 37.910 38.000 -0.023 0.000 1.073 34 I HN 0.177 nan 8.210 nan 0.000 0.424 35 D N 1.848 122.244 120.400 -0.007 0.000 2.325 35 D HA 0.037 4.677 4.640 0.001 0.000 0.234 35 D C 0.664 176.967 176.300 0.006 0.000 1.122 35 D CA 0.219 54.219 54.000 0.000 0.000 0.850 35 D CB 0.301 41.101 40.800 0.001 0.000 0.921 35 D HN 0.276 nan 8.370 nan 0.000 0.513 36 S N 0.830 116.535 115.700 0.007 0.000 2.448 36 S HA 0.495 4.965 4.470 0.001 0.000 0.320 36 S C -0.080 174.528 174.600 0.014 0.000 1.071 36 S CA -0.686 57.524 58.200 0.016 0.000 1.113 36 S CB 0.915 64.129 63.200 0.023 0.000 0.972 36 S HN 0.169 nan 8.310 nan 0.000 0.465 37 A N 7.255 130.084 122.820 0.016 0.000 2.454 37 A HA 0.566 4.887 4.320 0.001 0.000 0.260 37 A C -2.173 175.420 177.584 0.016 0.000 1.106 37 A CA -1.141 50.905 52.037 0.015 0.000 0.780 37 A CB -0.318 18.692 19.000 0.016 0.000 1.044 37 A HN 0.697 nan 8.150 nan 0.000 0.498 38 P HA 0.280 nan 4.420 nan 0.000 0.274 38 P C 0.132 177.434 177.300 0.003 0.000 1.264 38 P CA -0.213 62.891 63.100 0.007 0.000 0.795 38 P CB 0.273 31.970 31.700 -0.005 0.000 1.064 39 I N -3.699 116.863 120.570 -0.012 0.000 3.223 39 I HA 0.336 4.507 4.170 0.001 0.000 0.317 39 I C 1.166 177.267 176.117 -0.026 0.000 1.050 39 I CA -0.444 60.842 61.300 -0.023 0.000 1.069 39 I CB -0.135 37.833 38.000 -0.052 0.000 1.406 39 I HN 0.100 nan 8.210 nan 0.000 0.596 40 T N 1.431 115.976 114.554 -0.016 0.000 2.857 40 T HA 0.109 4.460 4.350 0.001 0.000 0.266 40 T C 0.962 175.670 174.700 0.013 0.000 1.048 40 T CA 1.196 63.321 62.100 0.042 0.000 1.139 40 T CB -0.291 68.644 68.868 0.112 0.000 0.874 40 T HN 0.741 nan 8.240 nan 0.000 0.455 41 A N 1.361 124.043 122.820 -0.231 0.000 2.313 41 A HA 0.585 4.906 4.320 0.001 0.000 0.261 41 A C 0.377 177.851 177.584 -0.182 0.000 1.090 41 A CA -0.436 51.372 52.037 -0.381 0.000 0.807 41 A CB 0.435 18.745 19.000 -1.150 0.000 1.055 41 A HN 0.229 nan 8.150 nan 0.000 0.492 42 R N 0.549 120.999 120.500 -0.082 0.000 2.437 42 R HA 0.287 4.628 4.340 0.001 0.000 0.310 42 R C -0.145 176.173 176.300 0.030 0.000 0.955 42 R CA -0.308 55.764 56.100 -0.046 0.000 0.851 42 R CB 1.180 31.440 30.300 -0.066 0.000 1.161 42 R HN 1.015 nan 8.270 nan 0.000 0.446 43 N N -0.045 118.668 118.700 0.021 0.000 2.428 43 N HA -0.003 4.738 4.740 0.001 0.000 0.181 43 N C -0.283 175.283 175.510 0.092 0.000 1.028 43 N CA 0.427 53.518 53.050 0.069 0.000 0.877 43 N CB 0.310 38.831 38.487 0.057 0.000 1.064 43 N HN 0.436 nan 8.380 nan 0.000 0.434 44 T N 0.700 115.293 114.554 0.064 0.000 2.928 44 T HA 0.228 4.579 4.350 0.001 0.000 0.305 44 T C 0.563 175.306 174.700 0.071 0.000 1.035 44 T CA -0.318 61.817 62.100 0.059 0.000 1.145 44 T CB 1.112 70.000 68.868 0.034 0.000 0.963 44 T HN 0.165 nan 8.240 nan 0.000 0.545 45 G N 1.481 110.322 108.800 0.068 0.000 2.537 45 G HA2 0.594 4.555 3.960 0.001 0.000 0.273 45 G HA3 0.594 4.555 3.960 0.001 0.000 0.273 45 G C -0.617 174.305 174.900 0.036 0.000 1.189 45 G CA -0.742 44.396 45.100 0.063 0.000 0.881 45 G HN 0.748 nan 8.290 nan 0.000 0.535 46 I N 0.818 121.399 120.570 0.018 0.000 2.411 46 I HA 0.257 4.428 4.170 0.001 0.000 0.284 46 I C -0.650 175.471 176.117 0.008 0.000 1.012 46 I CA -0.394 60.918 61.300 0.019 0.000 1.119 46 I CB 1.783 39.804 38.000 0.034 0.000 1.261 46 I HN 0.190 nan 8.210 nan 0.000 0.448 47 I N 6.021 126.609 120.570 0.031 0.000 2.304 47 I HA 0.257 4.428 4.170 0.001 0.000 0.291 47 I C -0.377 175.778 176.117 0.064 0.000 1.018 47 I CA -0.053 61.285 61.300 0.063 0.000 1.260 47 I CB 0.799 38.874 38.000 0.126 0.000 1.390 47 I HN 0.508 nan 8.210 nan 0.000 0.475 48 C N 4.042 123.377 119.300 0.058 0.000 2.382 48 C HA 0.434 4.895 4.460 0.001 0.000 0.327 48 C C 0.633 175.672 174.990 0.081 0.000 1.250 48 C CA -0.601 58.453 59.018 0.060 0.000 1.707 48 C CB 1.131 28.896 27.740 0.042 0.000 2.272 48 C HN 0.656 nan 8.230 nan 0.000 0.506 49 T N 4.826 119.436 114.554 0.093 0.000 2.794 49 T HA 0.311 4.661 4.350 0.001 0.000 0.304 49 T C 0.367 175.130 174.700 0.106 0.000 0.973 49 T CA 0.129 62.296 62.100 0.111 0.000 0.972 49 T CB -0.278 68.661 68.868 0.118 0.000 0.952 49 T HN 0.404 nan 8.240 nan 0.000 0.509 50 I N 2.908 123.539 120.570 0.102 0.000 2.588 50 I HA 0.509 4.680 4.170 0.001 0.000 0.283 50 I C 1.082 177.280 176.117 0.135 0.000 1.119 50 I CA -0.149 61.208 61.300 0.096 0.000 1.419 50 I CB 0.665 38.703 38.000 0.063 0.000 1.394 50 I HN 0.645 nan 8.210 nan 0.000 0.562 51 G N 5.494 114.370 108.800 0.127 0.000 2.911 51 G HA2 0.446 4.407 3.960 0.001 0.000 0.299 51 G HA3 0.446 4.407 3.960 0.001 0.000 0.299 51 G C -2.480 172.511 174.900 0.152 0.000 1.283 51 G CA -0.483 44.723 45.100 0.177 0.000 0.805 51 G HN 0.297 nan 8.290 nan 0.000 0.548 52 P HA -0.032 nan 4.420 nan 0.000 0.219 52 P C 1.563 178.906 177.300 0.072 0.000 1.146 52 P CA 1.970 65.148 63.100 0.129 0.000 0.808 52 P CB 0.136 31.891 31.700 0.091 0.000 0.779 53 A N -0.579 122.276 122.820 0.058 0.000 2.178 53 A HA 0.085 4.406 4.320 0.001 0.000 0.211 53 A C 1.533 179.136 177.584 0.031 0.000 1.157 53 A CA 1.092 53.148 52.037 0.032 0.000 0.780 53 A CB -0.523 18.490 19.000 0.022 0.000 0.828 53 A HN 0.296 nan 8.150 nan 0.000 0.476 54 S N -2.070 113.656 115.700 0.043 0.000 3.021 54 S HA 0.317 4.788 4.470 0.001 0.000 0.252 54 S C 0.914 175.532 174.600 0.029 0.000 0.996 54 S CA -0.431 57.791 58.200 0.036 0.000 1.084 54 S CB 0.001 63.226 63.200 0.042 0.000 1.021 54 S HN 0.452 nan 8.310 nan 0.000 0.566 55 R N 2.081 122.596 120.500 0.024 0.000 2.161 55 R HA 0.118 4.459 4.340 0.001 0.000 0.213 55 R C 0.988 177.286 176.300 -0.004 0.000 1.055 55 R CA 0.780 56.878 56.100 -0.004 0.000 0.996 55 R CB 0.014 30.301 30.300 -0.021 0.000 0.901 55 R HN 0.514 nan 8.270 nan 0.000 0.456 56 S N 0.261 115.967 115.700 0.009 0.000 2.525 56 S HA -0.007 4.464 4.470 0.001 0.000 0.285 56 S C 1.553 176.164 174.600 0.017 0.000 1.283 56 S CA -0.518 57.688 58.200 0.011 0.000 1.072 56 S CB 1.403 64.611 63.200 0.013 0.000 0.867 56 S HN -0.001 nan 8.310 nan 0.000 0.492 57 V N 4.466 124.389 119.914 0.016 0.000 2.439 57 V HA -0.212 3.909 4.120 0.001 0.000 0.253 57 V C 2.542 178.655 176.094 0.032 0.000 1.074 57 V CA 2.531 64.845 62.300 0.025 0.000 1.076 57 V CB -0.969 30.863 31.823 0.016 0.000 0.664 57 V HN 0.940 nan 8.190 nan 0.000 0.461 58 E N -0.773 119.441 120.200 0.023 0.000 2.076 58 E HA -0.145 4.206 4.350 0.001 0.000 0.190 58 E C 2.341 178.964 176.600 0.039 0.000 0.979 58 E CA 1.535 57.951 56.400 0.027 0.000 0.807 58 E CB -0.244 29.465 29.700 0.015 0.000 0.761 58 E HN 0.534 nan 8.360 nan 0.000 0.454 59 T N 1.606 116.179 114.554 0.031 0.000 2.788 59 T HA -0.126 4.225 4.350 0.001 0.000 0.268 59 T C 1.714 176.439 174.700 0.042 0.000 1.044 59 T CA 0.578 62.697 62.100 0.032 0.000 1.139 59 T CB -0.140 68.742 68.868 0.023 0.000 0.867 59 T HN -0.037 nan 8.240 nan 0.000 0.454 60 L N 1.559 122.809 121.223 0.046 0.000 1.955 60 L HA -0.073 4.268 4.340 0.001 0.000 0.213 60 L C 2.302 179.221 176.870 0.082 0.000 1.072 60 L CA 1.850 56.723 54.840 0.055 0.000 0.755 60 L CB -0.792 41.299 42.059 0.054 0.000 0.888 60 L HN 0.210 nan 8.230 nan 0.000 0.432 61 K N -0.837 119.638 120.400 0.124 0.000 2.044 61 K HA -0.263 4.058 4.320 0.001 0.000 0.210 61 K C 2.020 178.730 176.600 0.182 0.000 1.049 61 K CA 1.823 58.251 56.287 0.235 0.000 0.927 61 K CB -0.276 32.380 32.500 0.259 0.000 0.713 61 K HN 0.204 nan 8.250 nan 0.000 0.443 62 E N 0.741 121.013 120.200 0.120 0.000 2.153 62 E HA -0.103 4.248 4.350 0.001 0.000 0.194 62 E C 1.906 178.528 176.600 0.038 0.000 0.988 62 E CA 1.032 57.481 56.400 0.082 0.000 0.811 62 E CB 0.020 29.756 29.700 0.060 0.000 0.746 62 E HN 0.211 nan 8.360 nan 0.000 0.466 63 M N -0.589 119.032 119.600 0.035 0.000 2.117 63 M HA -0.139 4.342 4.480 0.001 0.000 0.262 63 M C 1.888 178.174 176.300 -0.024 0.000 1.065 63 M CA 1.225 56.531 55.300 0.010 0.000 1.114 63 M CB -0.084 32.528 32.600 0.019 0.000 1.361 63 M HN 0.181 nan 8.290 nan 0.000 0.408 64 I N -0.178 120.376 120.570 -0.026 0.000 2.113 64 I HA -0.347 3.823 4.170 0.001 0.000 0.238 64 I C 2.408 178.429 176.117 -0.160 0.000 1.070 64 I CA 1.459 62.697 61.300 -0.103 0.000 1.332 64 I CB -0.354 37.575 38.000 -0.119 0.000 1.044 64 I HN 0.212 nan 8.210 nan 0.000 0.402 65 K N 0.322 120.632 120.400 -0.149 0.000 2.160 65 K HA -0.176 4.145 4.320 0.001 0.000 0.206 65 K C 2.250 178.783 176.600 -0.113 0.000 1.047 65 K CA 1.790 57.989 56.287 -0.147 0.000 0.930 65 K CB -0.074 32.411 32.500 -0.025 0.000 0.720 65 K HN 0.293 nan 8.250 nan 0.000 0.450 66 S N -1.100 114.548 115.700 -0.086 0.000 2.356 66 S HA -0.086 4.385 4.470 0.001 0.000 0.223 66 S C 1.577 176.072 174.600 -0.175 0.000 1.032 66 S CA 1.433 59.565 58.200 -0.114 0.000 1.005 66 S CB 0.175 63.335 63.200 -0.066 0.000 0.867 66 S HN 0.611 nan 8.310 nan 0.000 0.449 67 G N -0.561 108.171 108.800 -0.114 0.000 4.386 67 G HA2 0.020 3.981 3.960 0.001 0.000 0.219 67 G HA3 0.020 3.981 3.960 0.001 0.000 0.219 67 G C 0.106 174.973 174.900 -0.055 0.000 0.758 67 G CA -0.370 44.686 45.100 -0.074 0.000 0.861 67 G HN 0.275 nan 8.290 nan 0.000 0.642 68 M N 1.443 121.004 119.600 -0.066 0.000 2.240 68 M HA 0.076 4.556 4.480 0.001 0.000 0.346 68 M C 0.762 176.967 176.300 -0.158 0.000 1.236 68 M CA 1.162 56.417 55.300 -0.076 0.000 0.986 68 M CB 0.262 32.833 32.600 -0.049 0.000 1.786 68 M HN 0.271 nan 8.290 nan 0.000 0.457 69 N N 2.623 121.200 118.700 -0.205 0.000 2.606 69 N HA 0.199 4.940 4.740 0.001 0.000 0.208 69 N C -0.875 174.412 175.510 -0.372 0.000 1.046 69 N CA -0.117 52.649 53.050 -0.473 0.000 0.891 69 N CB 0.689 38.812 38.487 -0.607 0.000 1.344 69 N HN 0.443 nan 8.380 nan 0.000 0.437 70 V N 0.702 120.521 119.914 -0.159 0.000 2.680 70 V HA 0.760 4.881 4.120 0.001 0.000 0.309 70 V C -0.906 175.186 176.094 -0.003 0.000 1.052 70 V CA -1.235 61.037 62.300 -0.047 0.000 0.908 70 V CB 1.649 33.494 31.823 0.036 0.000 1.001 70 V HN 0.177 nan 8.190 nan 0.000 0.431 71 A N 4.429 127.249 122.820 -0.001 0.000 2.249 71 A HA 0.706 5.026 4.320 0.001 0.000 0.314 71 A C -0.052 177.541 177.584 0.016 0.000 1.290 71 A CA -0.514 51.533 52.037 0.017 0.000 0.893 71 A CB 0.431 19.439 19.000 0.013 0.000 1.165 71 A HN 0.831 nan 8.150 nan 0.000 0.530 72 R N 2.328 122.864 120.500 0.060 0.000 2.457 72 R HA 0.678 5.019 4.340 0.001 0.000 0.284 72 R C -1.217 175.138 176.300 0.091 0.000 1.024 72 R CA -0.448 55.699 56.100 0.077 0.000 1.025 72 R CB 0.809 31.218 30.300 0.182 0.000 1.063 72 R HN 0.686 nan 8.270 nan 0.000 0.493 73 M N 3.363 123.018 119.600 0.093 0.000 2.060 73 M HA 0.198 4.679 4.480 0.001 0.000 0.275 73 M C -0.937 175.492 176.300 0.215 0.000 0.919 73 M CA -0.440 54.949 55.300 0.150 0.000 0.970 73 M CB 1.537 34.257 32.600 0.201 0.000 1.670 73 M HN 0.385 nan 8.290 nan 0.000 0.440 74 N N 2.353 121.159 118.700 0.176 0.000 2.399 74 N HA 0.114 4.855 4.740 0.001 0.000 0.259 74 N C -0.322 175.266 175.510 0.129 0.000 1.160 74 N CA 0.375 53.523 53.050 0.163 0.000 0.946 74 N CB 0.268 38.835 38.487 0.132 0.000 1.156 74 N HN 0.517 nan 8.380 nan 0.000 0.489 75 F N 0.875 120.778 119.950 -0.079 0.000 2.765 75 F HA 0.068 4.596 4.527 0.001 0.000 0.302 75 F C 2.100 177.926 175.800 0.044 0.000 1.111 75 F CA 0.078 58.042 58.000 -0.059 0.000 1.359 75 F CB 0.022 38.962 39.000 -0.100 0.000 1.097 75 F HN 0.477 nan 8.300 nan 0.000 0.577 76 S N -1.814 113.948 115.700 0.105 0.000 2.515 76 S HA -0.052 4.418 4.470 0.001 0.000 0.231 76 S C 0.139 174.752 174.600 0.022 0.000 0.987 76 S CA 0.544 58.755 58.200 0.018 0.000 0.936 76 S CB -0.751 62.386 63.200 -0.105 0.000 0.766 76 S HN 0.464 nan 8.310 nan 0.000 0.528 77 H N 0.045 119.201 119.070 0.143 0.000 3.013 77 H HA 0.622 5.179 4.556 0.001 0.000 0.326 77 H C 0.136 175.532 175.328 0.115 0.000 0.973 77 H CA -0.259 55.846 56.048 0.096 0.000 1.369 77 H CB 1.516 31.320 29.762 0.070 0.000 1.598 77 H HN 0.402 nan 8.280 nan 0.000 0.518 78 G N 1.341 110.240 108.800 0.165 0.000 2.326 78 G HA2 0.106 4.067 3.960 0.001 0.000 0.478 78 G HA3 0.106 4.067 3.960 0.001 0.000 0.478 78 G C -0.576 174.324 174.900 -0.001 0.000 1.551 78 G CA -0.587 44.522 45.100 0.015 0.000 0.946 78 G HN 0.610 nan 8.290 nan 0.000 0.671 79 T N -1.301 113.193 114.554 -0.099 0.000 2.899 79 T HA 0.491 4.842 4.350 0.001 0.000 0.284 79 T C 1.487 176.195 174.700 0.012 0.000 1.004 79 T CA 0.402 62.485 62.100 -0.029 0.000 1.043 79 T CB 0.835 69.669 68.868 -0.058 0.000 1.013 79 T HN 0.641 nan 8.240 nan 0.000 0.518 80 H N 0.652 119.616 119.070 -0.177 0.000 2.421 80 H HA -0.075 4.482 4.556 0.001 0.000 0.298 80 H C 2.209 177.465 175.328 -0.120 0.000 1.087 80 H CA 1.526 57.392 56.048 -0.303 0.000 1.330 80 H CB 0.275 29.619 29.762 -0.698 0.000 1.388 80 H HN 0.903 nan 8.280 nan 0.000 0.526 81 E N 1.119 121.350 120.200 0.053 0.000 2.038 81 E HA -0.287 4.064 4.350 0.001 0.000 0.195 81 E C 2.001 178.630 176.600 0.047 0.000 1.000 81 E CA 1.323 57.761 56.400 0.062 0.000 0.803 81 E CB -0.639 29.092 29.700 0.052 0.000 0.750 81 E HN 0.510 nan 8.360 nan 0.000 0.448 82 Y N 1.788 121.987 120.300 -0.169 0.000 2.097 82 Y HA -0.287 4.264 4.550 0.001 0.000 0.282 82 Y C 2.424 178.144 175.900 -0.300 0.000 1.152 82 Y CA 2.390 60.335 58.100 -0.258 0.000 1.136 82 Y CB -0.493 37.733 38.460 -0.390 0.000 0.975 82 Y HN 0.190 nan 8.280 nan 0.000 0.498 83 H N -0.470 118.578 119.070 -0.037 0.000 2.289 83 H HA -0.186 4.371 4.556 0.001 0.000 0.296 83 H C 2.379 177.733 175.328 0.044 0.000 1.091 83 H CA 1.549 57.540 56.048 -0.094 0.000 1.274 83 H CB -1.093 28.544 29.762 -0.209 0.000 1.364 83 H HN 0.487 nan 8.280 nan 0.000 0.490 84 A N 0.941 123.916 122.820 0.257 0.000 1.978 84 A HA -0.193 4.128 4.320 0.001 0.000 0.220 84 A C 2.396 180.030 177.584 0.083 0.000 1.170 84 A CA 1.688 53.869 52.037 0.240 0.000 0.636 84 A CB -0.425 18.756 19.000 0.300 0.000 0.810 84 A HN 0.485 nan 8.150 nan 0.000 0.448 85 E N -0.819 119.378 120.200 -0.004 0.000 2.072 85 E HA -0.141 4.210 4.350 0.001 0.000 0.191 85 E C 2.041 178.590 176.600 -0.084 0.000 0.985 85 E CA 1.567 57.937 56.400 -0.051 0.000 0.801 85 E CB -0.136 29.513 29.700 -0.085 0.000 0.750 85 E HN 0.613 nan 8.360 nan 0.000 0.452 86 T N 1.306 115.760 114.554 -0.167 0.000 2.665 86 T HA -0.203 4.148 4.350 0.001 0.000 0.268 86 T C 1.898 176.587 174.700 -0.018 0.000 1.035 86 T CA 1.469 63.489 62.100 -0.133 0.000 1.151 86 T CB -0.249 68.540 68.868 -0.132 0.000 0.862 86 T HN 0.124 nan 8.240 nan 0.000 0.438 87 I N 0.671 121.262 120.570 0.035 0.000 2.113 87 I HA -0.171 4.000 4.170 0.001 0.000 0.238 87 I C 2.637 178.772 176.117 0.031 0.000 1.070 87 I CA 1.346 62.674 61.300 0.047 0.000 1.332 87 I CB -0.388 37.653 38.000 0.068 0.000 1.044 87 I HN 0.095 nan 8.210 nan 0.000 0.402 88 K N 1.054 121.471 120.400 0.029 0.000 2.030 88 K HA -0.306 4.014 4.320 0.001 0.000 0.222 88 K C 1.935 178.549 176.600 0.024 0.000 1.056 88 K CA 2.443 58.744 56.287 0.024 0.000 0.957 88 K CB -0.560 31.951 32.500 0.020 0.000 0.727 88 K HN 0.427 nan 8.250 nan 0.000 0.452 89 N N 0.194 118.903 118.700 0.013 0.000 2.011 89 N HA -0.210 4.531 4.740 0.001 0.000 0.199 89 N C 1.971 177.500 175.510 0.032 0.000 1.047 89 N CA 2.077 55.136 53.050 0.015 0.000 0.863 89 N CB -0.572 37.912 38.487 -0.004 0.000 1.056 89 N HN 0.034 nan 8.380 nan 0.000 0.427 90 V N 1.964 121.896 119.914 0.030 0.000 2.370 90 V HA -0.256 3.865 4.120 0.001 0.000 0.252 90 V C 2.235 178.368 176.094 0.065 0.000 1.068 90 V CA 1.758 64.084 62.300 0.044 0.000 1.061 90 V CB -0.546 31.298 31.823 0.036 0.000 0.656 90 V HN 0.366 nan 8.190 nan 0.000 0.455 91 R N -0.959 119.578 120.500 0.061 0.000 2.240 91 R HA -0.008 4.333 4.340 0.001 0.000 0.203 91 R C 2.238 178.590 176.300 0.087 0.000 1.011 91 R CA 1.232 57.380 56.100 0.081 0.000 1.007 91 R CB -0.443 29.893 30.300 0.060 0.000 0.911 91 R HN 0.455 nan 8.270 nan 0.000 0.468 92 T N 1.054 115.646 114.554 0.065 0.000 2.851 92 T HA 0.006 4.357 4.350 0.001 0.000 0.262 92 T C 1.968 176.714 174.700 0.075 0.000 1.043 92 T CA 1.206 63.339 62.100 0.055 0.000 1.140 92 T CB 0.001 68.889 68.868 0.032 0.000 0.872 92 T HN 0.326 nan 8.240 nan 0.000 0.446 93 A N 1.123 123.998 122.820 0.092 0.000 1.969 93 A HA -0.064 4.257 4.320 0.001 0.000 0.218 93 A C 2.475 180.210 177.584 0.251 0.000 1.169 93 A CA 1.770 53.887 52.037 0.134 0.000 0.635 93 A CB -1.047 18.034 19.000 0.134 0.000 0.810 93 A HN 0.442 nan 8.150 nan 0.000 0.445 94 T N 0.481 115.165 114.554 0.217 0.000 2.674 94 T HA -0.104 4.246 4.350 0.001 0.000 0.265 94 T C 1.440 176.392 174.700 0.419 0.000 1.039 94 T CA 1.472 63.745 62.100 0.288 0.000 1.150 94 T CB -0.233 68.754 68.868 0.197 0.000 0.864 94 T HN 0.562 nan 8.240 nan 0.000 0.427 95 E N 1.574 121.938 120.200 0.273 0.000 2.502 95 E HA 0.028 4.378 4.350 0.001 0.000 0.194 95 E C 2.235 178.906 176.600 0.118 0.000 1.062 95 E CA 0.305 56.821 56.400 0.194 0.000 0.867 95 E CB -0.144 29.611 29.700 0.091 0.000 0.888 95 E HN 0.588 nan 8.360 nan 0.000 0.510 96 S N -0.001 115.773 115.700 0.124 0.000 2.406 96 S HA -0.071 4.400 4.470 0.001 0.000 0.228 96 S C 1.624 176.137 174.600 -0.146 0.000 1.020 96 S CA 0.394 58.554 58.200 -0.065 0.000 0.965 96 S CB -0.330 62.775 63.200 -0.158 0.000 0.798 96 S HN 0.147 nan 8.310 nan 0.000 0.488 97 F N 1.876 121.904 119.950 0.130 0.000 2.743 97 F HA 0.488 5.016 4.527 0.001 0.000 0.297 97 F C 2.466 178.364 175.800 0.164 0.000 1.131 97 F CA 0.108 58.202 58.000 0.157 0.000 1.426 97 F CB -0.393 38.737 39.000 0.218 0.000 1.116 97 F HN 0.297 nan 8.300 nan 0.000 0.583 98 A N -0.096 122.853 122.820 0.215 0.000 2.234 98 A HA -0.166 4.155 4.320 0.001 0.000 0.216 98 A C 2.115 179.634 177.584 -0.108 0.000 1.167 98 A CA 1.675 53.589 52.037 -0.205 0.000 0.698 98 A CB -0.978 17.697 19.000 -0.540 0.000 0.779 98 A HN 0.362 nan 8.150 nan 0.000 0.475 99 S N -1.221 114.474 115.700 -0.009 0.000 2.558 99 S HA 0.067 4.537 4.470 0.001 0.000 0.217 99 S C 0.261 174.872 174.600 0.018 0.000 0.975 99 S CA 0.282 58.473 58.200 -0.016 0.000 0.912 99 S CB -0.043 63.146 63.200 -0.018 0.000 0.776 99 S HN 0.426 nan 8.310 nan 0.000 0.526 100 D N 2.524 122.966 120.400 0.070 0.000 2.454 100 D HA 0.396 5.037 4.640 0.001 0.000 0.225 100 D C -1.845 174.525 176.300 0.117 0.000 1.081 100 D CA -2.517 51.536 54.000 0.089 0.000 0.864 100 D CB 1.700 42.571 40.800 0.119 0.000 1.040 100 D HN -0.047 nan 8.370 nan 0.000 0.517 101 P HA -0.068 nan 4.420 nan 0.000 0.217 101 P C 1.544 178.916 177.300 0.121 0.000 1.150 101 P CA 0.734 63.889 63.100 0.091 0.000 0.832 101 P CB 0.474 32.203 31.700 0.048 0.000 0.787 102 I N -1.889 118.733 120.570 0.087 0.000 3.291 102 I HA -0.066 4.105 4.170 0.001 0.000 0.279 102 I C 1.110 177.268 176.117 0.067 0.000 1.294 102 I CA 0.829 62.167 61.300 0.064 0.000 1.428 102 I CB -0.005 38.013 38.000 0.030 0.000 1.070 102 I HN -0.122 nan 8.210 nan 0.000 0.478 103 L N -0.648 120.641 121.223 0.109 0.000 3.425 103 L HA 0.186 4.526 4.340 0.001 0.000 0.330 103 L C -0.720 176.242 176.870 0.154 0.000 1.317 103 L CA -0.245 54.654 54.840 0.099 0.000 0.940 103 L CB 0.577 42.693 42.059 0.094 0.000 1.378 103 L HN 0.010 nan 8.230 nan 0.000 0.611 104 Y N 0.533 120.857 120.300 0.039 0.000 2.342 104 Y HA 0.641 5.192 4.550 0.001 0.000 0.338 104 Y C -0.097 175.781 175.900 -0.037 0.000 0.965 104 Y CA -0.955 57.169 58.100 0.040 0.000 1.159 104 Y CB 0.708 39.209 38.460 0.068 0.000 1.157 104 Y HN 0.049 nan 8.280 nan 0.000 0.486 105 R N 8.086 128.194 120.500 -0.652 0.000 2.215 105 R HA 0.395 4.736 4.340 0.001 0.000 0.337 105 R C -2.619 173.187 176.300 -0.823 0.000 1.010 105 R CA -2.131 53.579 56.100 -0.650 0.000 0.871 105 R CB 0.501 30.541 30.300 -0.433 0.000 1.134 105 R HN 0.499 nan 8.270 nan 0.000 0.477 106 P HA 0.021 nan 4.420 nan 0.000 0.268 106 P C -0.744 176.515 177.300 -0.068 0.000 1.205 106 P CA -0.096 62.764 63.100 -0.399 0.000 0.771 106 P CB 0.895 32.465 31.700 -0.217 0.000 0.858 107 V N 2.230 122.144 119.914 0.000 0.000 2.588 107 V HA 0.599 4.719 4.120 0.001 0.000 0.304 107 V C 0.300 176.436 176.094 0.070 0.000 1.042 107 V CA -0.832 61.470 62.300 0.003 0.000 0.877 107 V CB 1.715 33.514 31.823 -0.041 0.000 0.996 107 V HN 0.729 nan 8.190 nan 0.000 0.425 108 A N 4.415 127.290 122.820 0.092 0.000 2.279 108 A HA 0.864 5.185 4.320 0.001 0.000 0.303 108 A C -0.616 176.977 177.584 0.015 0.000 1.108 108 A CA -0.469 51.618 52.037 0.084 0.000 0.830 108 A CB 1.265 20.340 19.000 0.125 0.000 1.106 108 A HN 0.700 nan 8.150 nan 0.000 0.493 109 V N 0.483 120.388 119.914 -0.014 0.000 2.540 109 V HA 0.681 4.802 4.120 0.001 0.000 0.302 109 V C 0.202 176.210 176.094 -0.143 0.000 1.035 109 V CA -0.103 62.164 62.300 -0.054 0.000 0.873 109 V CB 1.379 33.182 31.823 -0.034 0.000 0.992 109 V HN 1.272 nan 8.190 nan 0.000 0.428 110 A N 4.831 127.517 122.820 -0.224 0.000 2.365 110 A HA 0.890 5.211 4.320 0.001 0.000 0.318 110 A C -1.172 176.171 177.584 -0.401 0.000 1.091 110 A CA -0.574 51.181 52.037 -0.471 0.000 0.763 110 A CB 1.455 19.868 19.000 -0.979 0.000 1.248 110 A HN 0.827 nan 8.150 nan 0.000 0.442 111 L N 1.570 122.526 121.223 -0.444 0.000 2.307 111 L HA 0.440 4.781 4.340 0.001 0.000 0.282 111 L C -0.692 175.995 176.870 -0.306 0.000 1.051 111 L CA -0.394 54.216 54.840 -0.384 0.000 0.804 111 L CB 1.248 42.996 42.059 -0.519 0.000 1.197 111 L HN 0.705 nan 8.230 nan 0.000 0.431 112 D N 2.855 123.191 120.400 -0.106 0.000 2.414 112 D HA 0.200 4.841 4.640 0.001 0.000 0.232 112 D C -0.551 175.781 176.300 0.053 0.000 1.070 112 D CA -0.231 53.808 54.000 0.065 0.000 0.839 112 D CB 1.593 42.500 40.800 0.179 0.000 1.079 112 D HN 0.460 nan 8.370 nan 0.000 0.521 113 T N 2.104 116.676 114.554 0.030 0.000 2.788 113 T HA 0.121 4.472 4.350 0.001 0.000 0.287 113 T C 0.442 175.217 174.700 0.125 0.000 1.007 113 T CA -0.229 61.902 62.100 0.052 0.000 1.005 113 T CB 0.943 69.824 68.868 0.022 0.000 1.012 113 T HN 0.235 nan 8.240 nan 0.000 0.530 114 K N 1.622 122.109 120.400 0.145 0.000 2.606 114 K HA 0.395 4.716 4.320 0.001 0.000 0.196 114 K C 0.606 177.297 176.600 0.152 0.000 1.048 114 K CA -0.569 55.817 56.287 0.165 0.000 1.017 114 K CB -0.075 32.512 32.500 0.146 0.000 1.413 114 K HN 0.740 nan 8.250 nan 0.000 0.568 115 G N 2.480 111.417 108.800 0.229 0.000 2.608 115 G HA2 0.114 4.074 3.960 0.001 0.000 0.212 115 G HA3 0.114 4.074 3.960 0.001 0.000 0.212 115 G C -2.241 172.621 174.900 -0.064 0.000 1.572 115 G CA -0.683 44.503 45.100 0.143 0.000 1.064 115 G HN 0.412 nan 8.290 nan 0.000 0.556 116 P HA 0.142 nan 4.420 nan 0.000 0.260 116 P C -0.741 176.115 177.300 -0.740 0.000 1.207 116 P CA 0.762 63.576 63.100 -0.477 0.000 0.780 116 P CB 0.527 31.933 31.700 -0.491 0.000 0.789 117 E N 4.190 124.144 120.200 -0.410 0.000 2.528 117 E HA 0.268 4.618 4.350 0.001 0.000 0.277 117 E C -0.727 175.783 176.600 -0.150 0.000 0.980 117 E CA -0.586 55.647 56.400 -0.277 0.000 0.796 117 E CB 0.394 30.059 29.700 -0.059 0.000 1.427 117 E HN 0.238 nan 8.360 nan 0.000 0.394 118 I N 3.305 123.780 120.570 -0.160 0.000 2.648 118 I HA 0.244 4.414 4.170 0.001 0.000 0.284 118 I C 0.600 176.736 176.117 0.030 0.000 1.153 118 I CA 0.290 61.556 61.300 -0.058 0.000 1.426 118 I CB 0.584 38.559 38.000 -0.041 0.000 1.381 118 I HN 0.388 nan 8.210 nan 0.000 0.571 119 R N 3.370 123.913 120.500 0.072 0.000 2.651 119 R HA 0.408 4.749 4.340 0.001 0.000 0.278 119 R C -0.564 175.847 176.300 0.185 0.000 1.010 119 R CA -0.661 55.518 56.100 0.131 0.000 0.896 119 R CB 2.218 32.609 30.300 0.151 0.000 1.211 119 R HN 0.635 nan 8.270 nan 0.000 0.456 120 T N 0.239 114.913 114.554 0.200 0.000 2.619 120 T HA 0.141 4.492 4.350 0.001 0.000 0.330 120 T C 0.825 175.760 174.700 0.393 0.000 1.037 120 T CA 0.070 62.323 62.100 0.254 0.000 1.005 120 T CB 0.437 69.413 68.868 0.181 0.000 1.084 120 T HN 0.704 nan 8.240 nan 0.000 0.521 121 G N -0.974 108.063 108.800 0.395 0.000 2.782 121 G HA2 0.614 4.575 3.960 0.001 0.000 0.201 121 G HA3 0.614 4.575 3.960 0.001 0.000 0.201 121 G C -1.106 173.824 174.900 0.051 0.000 1.374 121 G CA -0.659 44.583 45.100 0.236 0.000 1.039 121 G HN 0.531 nan 8.290 nan 0.000 0.576 122 L N -0.135 121.050 121.223 -0.064 0.000 2.333 122 L HA 0.587 4.928 4.340 0.001 0.000 0.269 122 L C 0.004 176.864 176.870 -0.017 0.000 1.010 122 L CA -0.949 53.863 54.840 -0.046 0.000 0.818 122 L CB 2.163 44.163 42.059 -0.099 0.000 1.306 122 L HN 0.586 nan 8.230 nan 0.000 0.430 123 I N -0.476 120.095 120.570 0.001 0.000 2.498 123 I HA 0.426 4.596 4.170 0.001 0.000 0.301 123 I C -0.258 175.861 176.117 0.004 0.000 0.984 123 I CA -0.811 60.498 61.300 0.016 0.000 1.204 123 I CB 1.429 39.448 38.000 0.033 0.000 1.362 123 I HN 0.548 nan 8.210 nan 0.000 0.471 124 K N 3.844 124.251 120.400 0.012 0.000 2.436 124 K HA 0.170 4.491 4.320 0.001 0.000 0.275 124 K C 0.653 177.256 176.600 0.004 0.000 0.999 124 K CA 0.152 56.442 56.287 0.006 0.000 0.980 124 K CB 0.721 33.230 32.500 0.016 0.000 0.919 124 K HN 0.968 nan 8.250 nan 0.000 0.484 125 G N 2.227 111.024 108.800 -0.005 0.000 3.003 125 G HA2 0.061 4.022 3.960 0.001 0.000 0.266 125 G HA3 0.061 4.022 3.960 0.001 0.000 0.266 125 G C -0.215 174.685 174.900 -0.000 0.000 0.755 125 G CA 0.003 45.100 45.100 -0.006 0.000 2.061 125 G HN 0.430 nan 8.290 nan 0.000 0.599 133 L N 0.945 122.161 121.223 -0.011 0.000 2.360 133 L HA 0.905 5.246 4.340 0.001 0.000 0.271 133 L C -0.243 176.518 176.870 -0.182 0.000 1.057 133 L CA -0.311 54.358 54.840 -0.284 0.000 0.803 133 L CB 1.560 43.300 42.059 -0.533 0.000 1.207 133 L HN 0.523 nan 8.230 nan 0.000 0.445 134 K N 3.306 123.581 120.400 -0.208 0.000 2.501 134 K HA 0.477 4.798 4.320 0.001 0.000 0.252 134 K C -1.037 175.484 176.600 -0.131 0.000 0.934 134 K CA -0.859 55.352 56.287 -0.126 0.000 0.797 134 K CB 1.907 34.360 32.500 -0.078 0.000 1.270 134 K HN 0.465 nan 8.250 nan 0.000 0.431 135 K N -0.033 120.310 120.400 -0.096 0.000 2.526 135 K HA 0.274 4.595 4.320 0.001 0.000 0.256 135 K C 1.077 177.643 176.600 -0.057 0.000 1.035 135 K CA -0.566 55.674 56.287 -0.079 0.000 1.011 135 K CB 0.714 33.176 32.500 -0.063 0.000 1.343 135 K HN 0.812 nan 8.250 nan 0.000 0.510 136 G N 0.065 108.838 108.800 -0.045 0.000 3.186 136 G HA2 0.170 4.130 3.960 0.001 0.000 0.214 136 G HA3 0.170 4.130 3.960 0.001 0.000 0.214 136 G C 0.278 175.159 174.900 -0.032 0.000 1.222 136 G CA 0.179 45.259 45.100 -0.034 0.000 0.921 136 G HN 0.483 nan 8.290 nan 0.000 0.504 137 A N -0.781 122.017 122.820 -0.036 0.000 2.263 137 A HA 0.802 5.123 4.320 0.001 0.000 0.318 137 A C 0.427 177.991 177.584 -0.032 0.000 1.111 137 A CA -0.309 51.709 52.037 -0.031 0.000 0.901 137 A CB 0.713 19.694 19.000 -0.032 0.000 1.280 137 A HN 0.163 nan 8.150 nan 0.000 0.503 138 T N -0.772 113.766 114.554 -0.028 0.000 2.882 138 T HA 0.555 4.905 4.350 0.001 0.000 0.287 138 T C -0.540 174.142 174.700 -0.030 0.000 1.014 138 T CA 0.054 62.138 62.100 -0.026 0.000 1.049 138 T CB 0.073 68.929 68.868 -0.021 0.000 1.001 138 T HN 0.776 nan 8.240 nan 0.000 0.525 139 L N 2.080 123.286 121.223 -0.028 0.000 2.502 139 L HA 0.739 5.079 4.340 0.001 0.000 0.253 139 L C -1.657 175.199 176.870 -0.024 0.000 1.070 139 L CA -0.751 54.071 54.840 -0.031 0.000 0.871 139 L CB 1.989 44.032 42.059 -0.027 0.000 1.487 139 L HN 0.605 nan 8.230 nan 0.000 0.408 140 K N 2.142 122.522 120.400 -0.033 0.000 2.535 140 K HA 0.527 4.848 4.320 0.001 0.000 0.251 140 K C -1.573 175.017 176.600 -0.018 0.000 0.942 140 K CA -0.530 55.747 56.287 -0.016 0.000 0.798 140 K CB 2.333 34.805 32.500 -0.048 0.000 1.267 140 K HN 0.431 nan 8.250 nan 0.000 0.434 141 I N 1.655 122.241 120.570 0.026 0.000 2.440 141 I HA 0.250 4.421 4.170 0.001 0.000 0.294 141 I C -0.097 176.056 176.117 0.061 0.000 0.995 141 I CA -0.018 61.303 61.300 0.035 0.000 1.306 141 I CB 1.745 39.762 38.000 0.028 0.000 1.407 141 I HN 0.499 nan 8.210 nan 0.000 0.501 142 T N 6.235 120.830 114.554 0.069 0.000 2.912 142 T HA 0.384 4.734 4.350 0.001 0.000 0.299 142 T C 0.258 175.010 174.700 0.088 0.000 1.052 142 T CA -0.342 61.825 62.100 0.113 0.000 0.996 142 T CB 2.038 71.001 68.868 0.157 0.000 1.070 142 T HN 0.269 nan 8.240 nan 0.000 0.465 143 L N 1.690 122.934 121.223 0.035 0.000 2.664 143 L HA 0.273 4.614 4.340 0.001 0.000 0.233 143 L C 0.723 177.594 176.870 0.002 0.000 1.113 143 L CA 0.190 54.941 54.840 -0.148 0.000 0.896 143 L CB -0.031 41.938 42.059 -0.149 0.000 1.163 143 L HN 0.723 nan 8.230 nan 0.000 0.497 144 D N -0.646 119.876 120.400 0.204 0.000 2.417 144 D HA -0.073 4.568 4.640 0.001 0.000 0.250 144 D C 0.207 176.778 176.300 0.453 0.000 1.166 144 D CA 0.048 54.207 54.000 0.266 0.000 0.881 144 D CB 0.352 41.282 40.800 0.217 0.000 1.164 144 D HN -0.033 nan 8.370 nan 0.000 0.467 145 N N 2.827 121.770 118.700 0.405 0.000 2.605 145 N HA 0.378 5.119 4.740 0.001 0.000 0.282 145 N C -0.134 175.441 175.510 0.108 0.000 1.206 145 N CA 0.263 53.559 53.050 0.409 0.000 1.074 145 N CB 0.727 39.415 38.487 0.335 0.000 1.434 145 N HN 0.542 nan 8.380 nan 0.000 0.506 146 A N 0.519 123.355 122.820 0.026 0.000 2.004 146 A HA 0.074 4.395 4.320 0.001 0.000 0.175 146 A C 0.431 177.866 177.584 -0.250 0.000 1.902 146 A CA -0.152 51.786 52.037 -0.165 0.000 1.457 146 A CB -0.212 18.624 19.000 -0.272 0.000 1.593 146 A HN 0.376 nan 8.150 nan 0.000 0.363 147 Y N 0.122 120.423 120.300 0.001 0.000 2.457 147 Y HA 0.233 4.784 4.550 0.002 0.000 0.263 147 Y C 2.058 177.881 175.900 -0.129 0.000 1.164 147 Y CA 0.816 58.907 58.100 -0.014 0.000 1.274 147 Y CB -0.014 38.492 38.460 0.076 0.000 1.097 147 Y HN 0.487 nan 8.280 nan 0.000 0.523 148 M N -0.358 119.091 119.600 -0.251 0.000 2.296 148 M HA -0.107 4.374 4.480 0.001 0.000 0.265 148 M C 1.973 178.045 176.300 -0.379 0.000 1.064 148 M CA 1.808 56.686 55.300 -0.704 0.000 1.109 148 M CB 0.133 31.912 32.600 -1.369 0.000 1.396 148 M HN 0.197 nan 8.290 nan 0.000 0.430 149 A N 0.441 123.126 122.820 -0.226 0.000 1.903 149 A HA 0.430 4.751 4.320 0.001 0.000 0.213 149 A C 1.266 178.807 177.584 -0.072 0.000 1.185 149 A CA 0.886 52.838 52.037 -0.142 0.000 0.628 149 A CB -0.484 18.447 19.000 -0.114 0.000 0.830 149 A HN 0.564 nan 8.150 nan 0.000 0.446 150 A N -1.033 121.774 122.820 -0.022 0.000 2.316 150 A HA 0.498 4.819 4.320 0.001 0.000 0.324 150 A C -0.604 177.033 177.584 0.089 0.000 1.375 150 A CA -0.267 51.792 52.037 0.038 0.000 0.882 150 A CB -0.009 19.030 19.000 0.065 0.000 1.152 150 A HN 0.330 nan 8.150 nan 0.000 0.512 151 C N 3.356 122.688 119.300 0.054 0.000 2.376 151 C HA 0.286 4.747 4.460 0.001 0.000 0.341 151 C C 0.291 175.309 174.990 0.047 0.000 1.106 151 C CA -0.787 58.270 59.018 0.065 0.000 1.631 151 C CB -1.569 26.209 27.740 0.064 0.000 1.649 151 C HN 0.839 nan 8.230 nan 0.000 0.456 152 D N 0.950 121.374 120.400 0.039 0.000 2.358 152 D HA 0.028 4.668 4.640 0.001 0.000 0.244 152 D C 1.283 177.587 176.300 0.007 0.000 1.163 152 D CA 0.033 54.047 54.000 0.023 0.000 0.945 152 D CB 0.941 41.754 40.800 0.021 0.000 1.152 152 D HN 0.620 nan 8.370 nan 0.000 0.451 153 E N 0.416 120.619 120.200 0.004 0.000 2.333 153 E HA -0.231 4.120 4.350 0.001 0.000 0.200 153 E C 0.783 177.369 176.600 -0.024 0.000 1.010 153 E CA 1.135 57.529 56.400 -0.010 0.000 0.841 153 E CB -0.164 29.526 29.700 -0.017 0.000 0.757 153 E HN 0.318 nan 8.360 nan 0.000 0.508 154 N N -0.236 118.445 118.700 -0.031 0.000 2.388 154 N HA 0.221 4.962 4.740 0.001 0.000 0.176 154 N C -0.254 175.202 175.510 -0.089 0.000 1.062 154 N CA 0.258 53.277 53.050 -0.053 0.000 0.895 154 N CB 0.755 39.211 38.487 -0.051 0.000 1.018 154 N HN 0.027 nan 8.380 nan 0.000 0.456 155 I N 0.943 121.458 120.570 -0.092 0.000 2.692 155 I HA 0.320 4.491 4.170 0.001 0.000 0.293 155 I C -1.495 174.591 176.117 -0.051 0.000 1.200 155 I CA -0.576 60.632 61.300 -0.153 0.000 1.036 155 I CB 2.538 40.303 38.000 -0.393 0.000 1.258 155 I HN -0.157 nan 8.210 nan 0.000 0.421 156 L N 4.422 125.644 121.223 -0.001 0.000 2.388 156 L HA 0.494 4.835 4.340 0.001 0.000 0.264 156 L C -1.553 175.446 176.870 0.215 0.000 0.998 156 L CA -0.312 54.593 54.840 0.108 0.000 0.817 156 L CB 2.914 45.024 42.059 0.086 0.000 1.338 156 L HN 0.635 nan 8.230 nan 0.000 0.414 157 W N 4.687 126.018 121.300 0.051 0.000 2.417 157 W HA 0.638 5.299 4.660 0.001 0.000 0.315 157 W C -1.626 174.934 176.519 0.069 0.000 1.045 157 W CA -0.698 56.691 57.345 0.073 0.000 1.221 157 W CB 1.105 30.626 29.460 0.101 0.000 1.309 157 W HN 0.192 nan 8.180 nan 0.000 0.453 158 L N 5.588 126.726 121.223 -0.142 0.000 2.360 158 L HA 0.251 4.591 4.340 0.001 0.000 0.271 158 L C 1.151 177.658 176.870 -0.605 0.000 1.057 158 L CA 0.162 54.882 54.840 -0.201 0.000 0.803 158 L CB 1.170 43.176 42.059 -0.087 0.000 1.207 158 L HN 0.515 nan 8.230 nan 0.000 0.445 159 D N -0.026 120.194 120.400 -0.300 0.000 2.183 159 D HA -0.157 4.483 4.640 0.001 0.000 0.203 159 D C -0.015 176.213 176.300 -0.120 0.000 0.969 159 D CA 1.036 54.883 54.000 -0.255 0.000 0.842 159 D CB 0.084 40.874 40.800 -0.018 0.000 0.957 159 D HN 0.283 nan 8.370 nan 0.000 0.484 160 Y N 2.115 122.286 120.300 -0.215 0.000 2.436 160 Y HA 0.116 4.667 4.550 0.001 0.000 0.343 160 Y C 1.198 176.993 175.900 -0.174 0.000 1.008 160 Y CA -0.448 57.558 58.100 -0.157 0.000 1.241 160 Y CB 0.429 38.819 38.460 -0.117 0.000 1.153 160 Y HN -0.235 nan 8.280 nan 0.000 0.521 161 K N 3.175 123.566 120.400 -0.015 0.000 2.296 161 K HA 0.011 4.331 4.320 0.001 0.000 0.200 161 K C 0.329 176.733 176.600 -0.327 0.000 1.048 161 K CA 0.474 56.660 56.287 -0.168 0.000 0.966 161 K CB 0.340 32.800 32.500 -0.066 0.000 0.754 161 K HN 0.548 nan 8.250 nan 0.000 0.466 162 N N 1.476 119.794 118.700 -0.636 0.000 2.714 162 N HA 0.072 4.813 4.740 0.001 0.000 0.298 162 N C 0.450 175.260 175.510 -1.166 0.000 1.298 162 N CA 0.092 52.711 53.050 -0.718 0.000 1.007 162 N CB 0.590 38.852 38.487 -0.376 0.000 1.318 162 N HN 0.174 nan 8.380 nan 0.000 0.516 163 I N -0.468 119.567 120.570 -0.892 0.000 2.852 163 I HA -0.061 4.110 4.170 0.001 0.000 0.264 163 I C 1.037 176.962 176.117 -0.320 0.000 1.179 163 I CA 0.724 61.660 61.300 -0.607 0.000 1.480 163 I CB 0.356 38.146 38.000 -0.350 0.000 1.111 163 I HN 0.180 nan 8.210 nan 0.000 0.441 164 C N 0.407 119.536 119.300 -0.286 0.000 2.626 164 C HA 0.094 4.555 4.460 0.001 0.000 0.266 164 C C 2.163 177.050 174.990 -0.172 0.000 1.317 164 C CA 0.012 58.907 59.018 -0.205 0.000 1.716 164 C CB -1.125 26.495 27.740 -0.201 0.000 1.819 164 C HN 0.354 nan 8.230 nan 0.000 0.578 165 K N 0.165 120.457 120.400 -0.181 0.000 2.367 165 K HA 0.139 4.459 4.320 0.001 0.000 0.195 165 K C 1.516 178.066 176.600 -0.084 0.000 1.060 165 K CA 0.356 56.570 56.287 -0.121 0.000 1.022 165 K CB 0.464 32.893 32.500 -0.117 0.000 0.894 165 K HN 0.303 nan 8.250 nan 0.000 0.540 166 V N 0.724 120.583 119.914 -0.092 0.000 2.403 166 V HA 0.006 4.127 4.120 0.001 0.000 0.239 166 V C 1.084 177.167 176.094 -0.018 0.000 1.041 166 V CA 0.461 62.749 62.300 -0.020 0.000 1.051 166 V CB 0.208 32.060 31.823 0.049 0.000 0.704 166 V HN -0.137 nan 8.190 nan 0.000 0.472 167 V N 1.005 120.896 119.914 -0.038 0.000 2.834 167 V HA 0.294 4.415 4.120 0.001 0.000 0.301 167 V C -0.061 176.003 176.094 -0.051 0.000 1.066 167 V CA -0.411 61.870 62.300 -0.032 0.000 1.052 167 V CB 1.104 32.906 31.823 -0.035 0.000 1.021 167 V HN 0.521 nan 8.190 nan 0.000 0.480 168 E N 1.042 121.218 120.200 -0.040 0.000 2.355 168 E HA 0.511 4.862 4.350 0.001 0.000 0.261 168 E C -1.401 175.172 176.600 -0.044 0.000 0.943 168 E CA -1.068 55.305 56.400 -0.045 0.000 0.806 168 E CB 2.105 31.785 29.700 -0.033 0.000 1.286 168 E HN 0.359 nan 8.360 nan 0.000 0.424 169 V N 1.810 121.697 119.914 -0.045 0.000 2.390 169 V HA 0.328 4.449 4.120 0.001 0.000 0.260 169 V C 0.966 177.042 176.094 -0.029 0.000 1.043 169 V CA 1.498 63.774 62.300 -0.040 0.000 1.047 169 V CB -0.282 31.517 31.823 -0.039 0.000 1.066 169 V HN 1.036 nan 8.190 nan 0.000 0.481 170 G N 3.516 112.298 108.800 -0.029 0.000 2.551 170 G HA2 -0.188 3.773 3.960 0.001 0.000 0.186 170 G HA3 -0.188 3.773 3.960 0.001 0.000 0.186 170 G C 0.473 175.358 174.900 -0.025 0.000 1.002 170 G CA 0.057 45.142 45.100 -0.024 0.000 0.723 170 G HN 0.639 nan 8.290 nan 0.000 0.481 171 S N 1.334 117.019 115.700 -0.026 0.000 2.537 171 S HA 0.444 4.914 4.470 0.001 0.000 0.286 171 S C 0.557 175.135 174.600 -0.037 0.000 1.299 171 S CA 0.290 58.478 58.200 -0.020 0.000 1.067 171 S CB 0.512 63.702 63.200 -0.016 0.000 0.864 171 S HN 0.388 nan 8.310 nan 0.000 0.494 172 K N 2.288 122.665 120.400 -0.037 0.000 2.098 172 K HA 0.581 4.901 4.320 0.001 0.000 0.261 172 K C -1.082 175.443 176.600 -0.124 0.000 0.987 172 K CA -0.617 55.599 56.287 -0.118 0.000 0.916 172 K CB 1.323 33.740 32.500 -0.139 0.000 1.039 172 K HN 0.330 nan 8.250 nan 0.000 0.455 173 V N 3.319 123.081 119.914 -0.253 0.000 2.577 173 V HA 0.317 4.438 4.120 0.001 0.000 0.303 173 V C -1.461 174.454 176.094 -0.298 0.000 1.042 173 V CA -0.907 61.301 62.300 -0.154 0.000 0.872 173 V CB 1.142 32.930 31.823 -0.058 0.000 0.998 173 V HN 0.599 nan 8.190 nan 0.000 0.423 174 Y N 3.095 123.417 120.300 0.037 0.000 2.409 174 Y HA 0.842 5.392 4.550 0.001 0.000 0.339 174 Y C 0.043 175.974 175.900 0.052 0.000 1.033 174 Y CA -0.843 57.283 58.100 0.043 0.000 1.094 174 Y CB 2.185 40.672 38.460 0.045 0.000 1.210 174 Y HN 0.376 nan 8.280 nan 0.000 0.456 175 V N 1.029 121.076 119.914 0.222 0.000 3.147 175 V HA 0.319 4.440 4.120 0.001 0.000 0.306 175 V C -0.962 175.221 176.094 0.150 0.000 1.209 175 V CA -1.369 61.027 62.300 0.160 0.000 1.023 175 V CB 1.989 33.880 31.823 0.113 0.000 1.059 175 V HN 0.805 nan 8.190 nan 0.000 0.435 176 D N 3.144 123.623 120.400 0.132 0.000 3.133 176 D HA -0.167 4.474 4.640 0.001 0.000 0.239 176 D C 0.199 176.569 176.300 0.117 0.000 1.136 176 D CA 1.421 55.492 54.000 0.119 0.000 0.898 176 D CB -0.810 40.057 40.800 0.113 0.000 0.959 176 D HN 1.093 nan 8.370 nan 0.000 0.415 177 D N 1.129 121.596 120.400 0.111 0.000 2.737 177 D HA -0.145 4.495 4.640 0.001 0.000 0.238 177 D C 1.279 177.634 176.300 0.091 0.000 1.157 177 D CA 2.645 56.698 54.000 0.089 0.000 0.694 177 D CB -1.355 39.491 40.800 0.076 0.000 1.021 177 D HN 1.264 nan 8.370 nan 0.000 0.420 178 G N 0.124 108.998 108.800 0.124 0.000 2.249 178 G HA2 -0.398 3.563 3.960 0.001 0.000 0.273 178 G HA3 -0.398 3.563 3.960 0.001 0.000 0.273 178 G C 1.462 176.510 174.900 0.248 0.000 0.995 178 G CA 0.910 46.117 45.100 0.179 0.000 0.671 178 G HN 0.607 nan 8.290 nan 0.000 0.539 179 L N -0.961 120.361 121.223 0.164 0.000 2.127 179 L HA 0.100 4.441 4.340 0.001 0.000 0.211 179 L C 1.273 178.226 176.870 0.138 0.000 1.089 179 L CA 1.018 55.939 54.840 0.136 0.000 0.757 179 L CB -0.070 42.054 42.059 0.109 0.000 0.899 179 L HN 0.321 nan 8.230 nan 0.000 0.434 180 I N -0.939 119.719 120.570 0.147 0.000 2.382 180 I HA 0.109 4.280 4.170 0.001 0.000 0.285 180 I C 0.056 176.202 176.117 0.047 0.000 1.007 180 I CA -0.037 61.315 61.300 0.086 0.000 1.142 180 I CB 1.710 39.745 38.000 0.058 0.000 1.289 180 I HN -0.157 nan 8.210 nan 0.000 0.453 181 S N 7.341 123.021 115.700 -0.032 0.000 2.457 181 S HA 0.687 5.158 4.470 0.001 0.000 0.289 181 S C -0.853 173.616 174.600 -0.219 0.000 1.163 181 S CA -0.436 57.597 58.200 -0.279 0.000 1.078 181 S CB 0.617 63.687 63.200 -0.216 0.000 0.987 181 S HN 0.409 nan 8.310 nan 0.000 0.482 182 L N 4.392 125.444 121.223 -0.285 0.000 2.349 182 L HA 0.508 4.849 4.340 0.001 0.000 0.278 182 L C -0.054 176.714 176.870 -0.170 0.000 0.996 182 L CA -0.101 54.639 54.840 -0.168 0.000 0.825 182 L CB 1.795 43.785 42.059 -0.115 0.000 1.243 182 L HN 0.820 nan 8.230 nan 0.000 0.412 183 Q N 2.207 121.937 119.800 -0.116 0.000 2.243 183 Q HA 0.587 4.928 4.340 0.001 0.000 0.252 183 Q C -1.113 174.850 176.000 -0.061 0.000 0.909 183 Q CA -0.492 55.258 55.803 -0.088 0.000 0.922 183 Q CB 1.548 30.248 28.738 -0.063 0.000 1.215 183 Q HN 0.457 nan 8.270 nan 0.000 0.427 184 V N 4.671 124.553 119.914 -0.053 0.000 2.686 184 V HA 0.209 4.330 4.120 0.001 0.000 0.295 184 V C 0.529 176.605 176.094 -0.030 0.000 1.057 184 V CA -0.034 62.242 62.300 -0.040 0.000 1.012 184 V CB 1.513 33.310 31.823 -0.043 0.000 1.006 184 V HN 0.959 nan 8.190 nan 0.000 0.477 185 K N 1.670 122.057 120.400 -0.021 0.000 2.631 185 K HA 0.247 4.568 4.320 0.001 0.000 0.200 185 K C 0.190 176.785 176.600 -0.009 0.000 1.481 185 K CA -0.013 56.267 56.287 -0.013 0.000 1.087 185 K CB 1.313 33.809 32.500 -0.007 0.000 1.502 185 K HN 0.707 nan 8.250 nan 0.000 0.560 186 Q N 0.709 120.508 119.800 -0.002 0.000 2.456 186 Q HA 0.367 4.708 4.340 0.001 0.000 0.283 186 Q C -1.686 174.257 176.000 -0.095 0.000 1.084 186 Q CA -0.602 55.196 55.803 -0.008 0.000 0.801 186 Q CB 2.656 31.446 28.738 0.086 0.000 1.434 186 Q HN -0.134 nan 8.270 nan 0.000 0.419 187 K N -0.315 119.953 120.400 -0.219 0.000 2.350 187 K HA 0.894 5.215 4.320 0.001 0.000 0.241 187 K C -1.178 174.806 176.600 -1.027 0.000 0.994 187 K CA -0.689 55.326 56.287 -0.455 0.000 0.839 187 K CB 2.231 34.557 32.500 -0.290 0.000 1.244 187 K HN 0.762 nan 8.250 nan 0.000 0.443 188 G N 0.658 108.726 108.800 -1.220 0.000 2.616 188 G HA2 0.227 4.188 3.960 0.001 0.000 0.294 188 G HA3 0.227 4.188 3.960 0.001 0.000 0.294 188 G C -2.675 171.879 174.900 -0.577 0.000 1.489 188 G CA -0.990 43.236 45.100 -1.457 0.000 0.836 188 G HN 0.293 nan 8.290 nan 0.000 0.527 189 P HA -0.020 nan 4.420 nan 0.000 0.216 189 P C 0.462 177.733 177.300 -0.048 0.000 1.150 189 P CA 1.442 64.481 63.100 -0.102 0.000 0.837 189 P CB 0.326 32.013 31.700 -0.021 0.000 0.786 190 D N -2.241 118.205 120.400 0.077 0.000 2.501 190 D HA 0.231 4.871 4.640 0.001 0.000 0.224 190 D C -0.003 176.458 176.300 0.267 0.000 1.202 190 D CA -0.165 53.921 54.000 0.144 0.000 0.829 190 D CB 0.138 41.045 40.800 0.178 0.000 1.023 190 D HN 0.185 nan 8.370 nan 0.000 0.499 191 F N -1.430 118.499 119.950 -0.035 0.000 2.831 191 F HA 0.715 5.242 4.527 0.001 0.000 0.318 191 F C -2.171 173.600 175.800 -0.048 0.000 1.174 191 F CA -1.584 56.393 58.000 -0.038 0.000 0.918 191 F CB 1.141 40.124 39.000 -0.030 0.000 1.364 191 F HN -0.311 nan 8.300 nan 0.000 0.475 192 L N 1.844 123.140 121.223 0.122 0.000 2.639 192 L HA 0.611 4.951 4.340 0.001 0.000 0.264 192 L C -1.571 175.367 176.870 0.113 0.000 0.948 192 L CA -0.303 54.544 54.840 0.011 0.000 0.912 192 L CB 2.135 44.182 42.059 -0.021 0.000 1.294 192 L HN 0.680 nan 8.230 nan 0.000 0.412 193 V N 2.820 122.806 119.914 0.119 0.000 2.407 193 V HA 0.711 4.832 4.120 0.001 0.000 0.278 193 V C 0.077 176.188 176.094 0.029 0.000 1.037 193 V CA -0.246 62.110 62.300 0.095 0.000 0.900 193 V CB 1.526 33.425 31.823 0.127 0.000 0.983 193 V HN 0.784 nan 8.190 nan 0.000 0.459 194 T N 4.267 118.827 114.554 0.010 0.000 2.893 194 T HA 0.450 4.801 4.350 0.001 0.000 0.293 194 T C -0.544 174.142 174.700 -0.023 0.000 1.027 194 T CA -0.522 61.569 62.100 -0.015 0.000 0.988 194 T CB 2.276 71.131 68.868 -0.022 0.000 1.043 194 T HN 0.800 nan 8.240 nan 0.000 0.461 195 E N 1.196 121.376 120.200 -0.032 0.000 2.232 195 E HA 0.601 4.951 4.350 0.001 0.000 0.265 195 E C -1.138 175.434 176.600 -0.047 0.000 1.001 195 E CA -0.767 55.613 56.400 -0.034 0.000 0.870 195 E CB 1.146 30.828 29.700 -0.030 0.000 1.175 195 E HN 0.290 nan 8.360 nan 0.000 0.407 196 V N 3.660 123.548 119.914 -0.043 0.000 2.311 196 V HA 0.088 4.209 4.120 0.001 0.000 0.275 196 V C 0.874 176.942 176.094 -0.043 0.000 1.022 196 V CA -0.132 62.139 62.300 -0.048 0.000 0.830 196 V CB 1.043 32.839 31.823 -0.045 0.000 1.012 196 V HN 0.825 nan 8.190 nan 0.000 0.452 197 E N 3.407 123.576 120.200 -0.052 0.000 2.008 197 E HA -0.016 4.335 4.350 0.001 0.000 0.191 197 E C 0.453 177.040 176.600 -0.021 0.000 0.986 197 E CA 0.769 57.146 56.400 -0.038 0.000 0.807 197 E CB 0.242 29.909 29.700 -0.055 0.000 0.766 197 E HN 0.591 nan 8.360 nan 0.000 0.450 198 N N -0.046 118.641 118.700 -0.021 0.000 2.576 198 N HA 0.283 5.024 4.740 0.001 0.000 0.269 198 N C -1.156 174.352 175.510 -0.002 0.000 1.058 198 N CA 0.007 53.059 53.050 0.003 0.000 0.860 198 N CB 1.711 40.221 38.487 0.039 0.000 1.249 198 N HN 0.093 nan 8.380 nan 0.000 0.525 199 G N -0.320 108.471 108.800 -0.016 0.000 2.574 199 G HA2 0.785 4.746 3.960 0.001 0.000 0.299 199 G HA3 0.785 4.746 3.960 0.001 0.000 0.299 199 G C -0.325 174.546 174.900 -0.048 0.000 1.298 199 G CA -0.561 44.522 45.100 -0.029 0.000 0.952 199 G HN 0.475 nan 8.290 nan 0.000 0.477 200 G N -0.896 107.870 108.800 -0.058 0.000 2.896 200 G HA2 0.497 4.458 3.960 0.001 0.000 0.247 200 G HA3 0.497 4.458 3.960 0.001 0.000 0.247 200 G C -1.393 173.405 174.900 -0.171 0.000 1.187 200 G CA -0.815 44.217 45.100 -0.113 0.000 0.837 200 G HN 0.432 nan 8.290 nan 0.000 0.559 201 F N 0.999 120.965 119.950 0.026 0.000 2.466 201 F HA 0.451 4.979 4.527 0.001 0.000 0.363 201 F C 0.453 176.271 175.800 0.031 0.000 1.109 201 F CA -0.250 57.765 58.000 0.025 0.000 1.161 201 F CB 1.297 40.311 39.000 0.023 0.000 1.117 201 F HN 0.208 nan 8.300 nan 0.000 0.539 202 L N 4.604 125.924 121.223 0.162 0.000 2.276 202 L HA 0.660 5.001 4.340 0.001 0.000 0.286 202 L C 0.410 177.355 176.870 0.126 0.000 1.061 202 L CA 0.162 55.074 54.840 0.119 0.000 0.807 202 L CB 0.562 42.666 42.059 0.075 0.000 1.177 202 L HN 0.590 nan 8.230 nan 0.000 0.429 203 G N 2.463 111.329 108.800 0.110 0.000 2.510 203 G HA2 0.378 4.339 3.960 0.001 0.000 0.280 203 G HA3 0.378 4.339 3.960 0.001 0.000 0.280 203 G C -0.922 174.022 174.900 0.074 0.000 1.386 203 G CA -0.586 44.566 45.100 0.087 0.000 1.047 203 G HN 0.592 nan 8.290 nan 0.000 0.527 204 S N 0.222 115.955 115.700 0.056 0.000 2.474 204 S HA 0.461 4.931 4.470 0.001 0.000 0.321 204 S C -0.322 174.307 174.600 0.049 0.000 1.080 204 S CA -0.479 57.748 58.200 0.045 0.000 1.106 204 S CB 0.412 63.624 63.200 0.020 0.000 0.984 204 S HN 0.516 nan 8.310 nan 0.000 0.464 205 K N 1.640 122.085 120.400 0.074 0.000 3.510 205 K HA -0.112 4.208 4.320 0.001 0.000 0.275 205 K C -1.060 175.609 176.600 0.115 0.000 1.094 205 K CA 0.304 56.650 56.287 0.097 0.000 0.822 205 K CB -0.781 31.757 32.500 0.065 0.000 1.351 205 K HN 0.385 nan 8.250 nan 0.000 0.458 206 K N 0.147 120.621 120.400 0.124 0.000 2.156 206 K HA 0.520 4.840 4.320 0.001 0.000 0.254 206 K C 0.453 177.136 176.600 0.137 0.000 0.950 206 K CA -0.240 56.123 56.287 0.128 0.000 0.849 206 K CB 1.658 34.227 32.500 0.115 0.000 1.100 206 K HN 0.364 nan 8.250 nan 0.000 0.434 207 G N 0.676 109.558 108.800 0.136 0.000 2.367 207 G HA2 0.499 4.460 3.960 0.001 0.000 0.314 207 G HA3 0.499 4.460 3.960 0.001 0.000 0.314 207 G C -0.843 174.131 174.900 0.124 0.000 1.130 207 G CA -0.476 44.701 45.100 0.128 0.000 0.864 207 G HN 0.332 nan 8.290 nan 0.000 0.486 208 V N 1.619 121.599 119.914 0.110 0.000 2.713 208 V HA 0.435 4.556 4.120 0.001 0.000 0.307 208 V C -0.057 176.104 176.094 0.112 0.000 1.052 208 V CA -0.931 61.440 62.300 0.118 0.000 0.967 208 V CB 1.929 33.813 31.823 0.101 0.000 1.019 208 V HN 0.779 nan 8.190 nan 0.000 0.459 209 N N 1.809 120.603 118.700 0.156 0.000 2.352 209 N HA 0.539 5.279 4.740 0.001 0.000 0.291 209 N C -1.341 174.289 175.510 0.201 0.000 1.040 209 N CA -0.566 52.576 53.050 0.153 0.000 0.864 209 N CB 1.696 40.263 38.487 0.133 0.000 1.440 209 N HN 0.441 nan 8.380 nan 0.000 0.483 210 L N 4.069 125.373 121.223 0.136 0.000 2.701 210 L HA 0.404 4.745 4.340 0.001 0.000 0.237 210 L C -2.217 174.724 176.870 0.118 0.000 1.204 210 L CA -2.093 52.827 54.840 0.133 0.000 1.109 210 L CB -0.162 41.959 42.059 0.103 0.000 1.409 210 L HN 0.399 nan 8.230 nan 0.000 0.428 211 P HA 0.257 nan 4.420 nan 0.000 0.266 211 P C 0.934 178.280 177.300 0.076 0.000 1.215 211 P CA 0.399 63.555 63.100 0.093 0.000 0.763 211 P CB 0.846 32.595 31.700 0.081 0.000 0.806 212 G N 1.771 110.592 108.800 0.034 0.000 2.132 212 G HA2 0.035 3.996 3.960 0.001 0.000 0.228 212 G HA3 0.035 3.996 3.960 0.001 0.000 0.228 212 G C 0.073 174.985 174.900 0.020 0.000 1.000 212 G CA -0.074 45.032 45.100 0.009 0.000 0.693 212 G HN 0.881 nan 8.290 nan 0.000 0.515 213 A N -0.777 122.065 122.820 0.037 0.000 2.435 213 A HA 1.011 5.331 4.320 0.001 0.000 0.304 213 A C 0.126 177.739 177.584 0.049 0.000 1.064 213 A CA 0.307 52.370 52.037 0.042 0.000 0.727 213 A CB 1.632 20.667 19.000 0.058 0.000 1.284 213 A HN 2.023 nan 8.150 nan 0.000 0.415 214 A N 1.754 124.605 122.820 0.051 0.000 2.391 214 A HA 0.542 4.863 4.320 0.001 0.000 0.316 214 A C -0.028 177.598 177.584 0.070 0.000 1.381 214 A CA -0.313 51.755 52.037 0.051 0.000 0.998 214 A CB -0.517 18.508 19.000 0.042 0.000 1.147 214 A HN 1.158 nan 8.150 nan 0.000 0.545 215 V N 3.589 123.516 119.914 0.021 0.000 2.485 215 V HA 0.019 4.139 4.120 0.001 0.000 0.287 215 V C 0.809 176.884 176.094 -0.031 0.000 1.022 215 V CA 0.670 62.938 62.300 -0.054 0.000 1.067 215 V CB 0.435 32.093 31.823 -0.276 0.000 0.967 215 V HN 0.980 nan 8.190 nan 0.000 0.479 216 D N 3.492 123.926 120.400 0.057 0.000 2.340 216 D HA 0.071 4.712 4.640 0.001 0.000 0.217 216 D C 0.397 176.701 176.300 0.006 0.000 1.081 216 D CA -0.171 53.862 54.000 0.056 0.000 0.842 216 D CB 0.007 40.870 40.800 0.105 0.000 0.934 216 D HN 0.449 nan 8.370 nan 0.000 0.511 217 L N 1.436 122.587 121.223 -0.120 0.000 2.453 217 L HA 0.241 4.581 4.340 0.001 0.000 0.272 217 L C -1.759 175.055 176.870 -0.094 0.000 1.182 217 L CA -1.613 53.137 54.840 -0.150 0.000 0.858 217 L CB 0.153 42.022 42.059 -0.317 0.000 1.120 217 L HN -0.095 nan 8.230 nan 0.000 0.474 218 P HA 0.018 nan 4.420 nan 0.000 0.269 218 P C 0.143 177.432 177.300 -0.019 0.000 1.209 218 P CA -0.176 62.913 63.100 -0.019 0.000 0.776 218 P CB 0.879 32.579 31.700 0.001 0.000 0.876 219 A N 3.223 126.047 122.820 0.006 0.000 1.877 219 A HA -0.044 4.276 4.320 0.001 0.000 0.216 219 A C 0.895 178.500 177.584 0.034 0.000 1.186 219 A CA 1.479 53.533 52.037 0.028 0.000 0.620 219 A CB -0.679 18.345 19.000 0.041 0.000 0.822 219 A HN 0.441 nan 8.150 nan 0.000 0.443 220 V N 1.579 121.510 119.914 0.029 0.000 2.326 220 V HA 0.391 4.512 4.120 0.001 0.000 0.281 220 V C 0.022 176.134 176.094 0.031 0.000 1.015 220 V CA -0.231 62.089 62.300 0.033 0.000 0.823 220 V CB 0.914 32.758 31.823 0.033 0.000 1.009 220 V HN 0.527 nan 8.190 nan 0.000 0.436 221 S N 2.447 118.167 115.700 0.034 0.000 2.672 221 S HA 0.409 4.880 4.470 0.001 0.000 0.276 221 S C 0.899 175.527 174.600 0.047 0.000 1.207 221 S CA -0.701 57.520 58.200 0.034 0.000 1.002 221 S CB 1.632 64.851 63.200 0.031 0.000 0.998 221 S HN 0.683 nan 8.310 nan 0.000 0.542 222 E N 0.903 121.131 120.200 0.046 0.000 2.114 222 E HA -0.288 4.063 4.350 0.001 0.000 0.199 222 E C 1.895 178.537 176.600 0.070 0.000 1.008 222 E CA 1.883 58.315 56.400 0.053 0.000 0.810 222 E CB -0.206 29.522 29.700 0.047 0.000 0.739 222 E HN 0.802 nan 8.360 nan 0.000 0.456 223 K N 0.948 121.394 120.400 0.076 0.000 2.026 223 K HA -0.196 4.125 4.320 0.001 0.000 0.208 223 K C 1.636 178.311 176.600 0.125 0.000 1.048 223 K CA 1.983 58.333 56.287 0.106 0.000 0.929 223 K CB 0.028 32.596 32.500 0.114 0.000 0.713 223 K HN -0.035 nan 8.250 nan 0.000 0.439 224 D N 0.614 121.072 120.400 0.097 0.000 2.144 224 D HA -0.150 4.491 4.640 0.001 0.000 0.199 224 D C 1.972 178.313 176.300 0.069 0.000 0.984 224 D CA 1.303 55.351 54.000 0.080 0.000 0.834 224 D CB -0.129 40.709 40.800 0.062 0.000 0.955 224 D HN 0.314 nan 8.370 nan 0.000 0.465 225 I N 0.859 121.471 120.570 0.070 0.000 2.226 225 I HA -0.274 3.896 4.170 0.001 0.000 0.245 225 I C 2.517 178.690 176.117 0.095 0.000 1.100 225 I CA 1.157 62.497 61.300 0.067 0.000 1.374 225 I CB -0.118 37.916 38.000 0.058 0.000 1.057 225 I HN -0.063 nan 8.210 nan 0.000 0.413 226 Q N 0.206 120.081 119.800 0.125 0.000 2.016 226 Q HA -0.215 4.126 4.340 0.001 0.000 0.200 226 Q C 1.902 178.070 176.000 0.281 0.000 0.978 226 Q CA 1.763 57.679 55.803 0.188 0.000 0.833 226 Q CB -0.095 28.755 28.738 0.186 0.000 0.895 226 Q HN 0.401 nan 8.270 nan 0.000 0.427 227 D N 0.401 120.950 120.400 0.250 0.000 2.104 227 D HA -0.160 4.481 4.640 0.001 0.000 0.194 227 D C 1.804 178.116 176.300 0.020 0.000 0.994 227 D CA 0.978 55.087 54.000 0.183 0.000 0.830 227 D CB -0.156 40.718 40.800 0.123 0.000 0.959 227 D HN 0.135 nan 8.370 nan 0.000 0.452 228 L N 0.601 121.824 121.223 0.001 0.000 1.955 228 L HA -0.197 4.144 4.340 0.001 0.000 0.213 228 L C 2.352 179.223 176.870 0.002 0.000 1.072 228 L CA 1.386 56.197 54.840 -0.047 0.000 0.755 228 L CB -0.357 41.690 42.059 -0.021 0.000 0.888 228 L HN 0.002 nan 8.230 nan 0.000 0.432 229 K N -0.588 119.850 120.400 0.065 0.000 2.173 229 K HA -0.268 4.053 4.320 0.001 0.000 0.207 229 K C 2.021 178.683 176.600 0.103 0.000 1.046 229 K CA 1.878 58.211 56.287 0.077 0.000 0.929 229 K CB -0.465 32.101 32.500 0.110 0.000 0.720 229 K HN 0.217 nan 8.250 nan 0.000 0.453 230 F N 1.433 121.389 119.950 0.009 0.000 2.259 230 F HA -0.013 4.515 4.527 0.001 0.000 0.298 230 F C 2.054 177.818 175.800 -0.061 0.000 1.088 230 F CA 1.247 59.253 58.000 0.010 0.000 1.358 230 F CB -0.458 38.538 39.000 -0.007 0.000 1.040 230 F HN -0.041 nan 8.300 nan 0.000 0.505 231 G N 0.538 109.240 108.800 -0.163 0.000 2.446 231 G HA2 -0.254 3.707 3.960 0.001 0.000 0.217 231 G HA3 -0.254 3.707 3.960 0.001 0.000 0.217 231 G C 1.738 176.471 174.900 -0.278 0.000 1.168 231 G CA 1.329 46.252 45.100 -0.296 0.000 0.771 231 G HN 0.325 nan 8.290 nan 0.000 0.551 232 V N 1.458 121.272 119.914 -0.167 0.000 2.380 232 V HA -0.199 3.922 4.120 0.001 0.000 0.251 232 V C 2.418 178.429 176.094 -0.139 0.000 1.063 232 V CA 2.346 64.576 62.300 -0.117 0.000 1.055 232 V CB -0.449 31.339 31.823 -0.058 0.000 0.657 232 V HN 0.295 nan 8.190 nan 0.000 0.455 233 D N -0.833 119.450 120.400 -0.194 0.000 2.249 233 D HA -0.054 4.586 4.640 0.001 0.000 0.205 233 D C 2.126 178.270 176.300 -0.260 0.000 0.962 233 D CA 0.545 54.433 54.000 -0.188 0.000 0.860 233 D CB -0.105 40.602 40.800 -0.155 0.000 0.955 233 D HN 0.360 nan 8.370 nan 0.000 0.505 234 E N 0.442 120.396 120.200 -0.410 0.000 2.489 234 E HA -0.030 4.321 4.350 0.001 0.000 0.193 234 E C -0.137 176.346 176.600 -0.195 0.000 1.057 234 E CA 0.163 56.349 56.400 -0.357 0.000 0.866 234 E CB 0.226 29.607 29.700 -0.532 0.000 0.916 234 E HN 0.077 nan 8.360 nan 0.000 0.500 235 D N 0.355 120.656 120.400 -0.166 0.000 2.746 235 D HA -0.153 4.488 4.640 0.001 0.000 0.236 235 D C -0.201 176.043 176.300 -0.093 0.000 1.129 235 D CA 0.625 54.563 54.000 -0.103 0.000 0.691 235 D CB -1.552 39.205 40.800 -0.072 0.000 1.077 235 D HN 0.091 nan 8.370 nan 0.000 0.432 236 V N -2.271 117.568 119.914 -0.126 0.000 2.843 236 V HA 0.264 4.385 4.120 0.001 0.000 0.305 236 V C 1.440 177.479 176.094 -0.092 0.000 1.065 236 V CA 0.441 62.669 62.300 -0.120 0.000 1.116 236 V CB 1.335 33.057 31.823 -0.170 0.000 0.968 236 V HN 0.092 nan 8.190 nan 0.000 0.487 237 D N 3.613 123.968 120.400 -0.076 0.000 2.271 237 D HA 0.118 4.758 4.640 0.001 0.000 0.206 237 D C 0.716 176.981 176.300 -0.058 0.000 0.967 237 D CA 1.331 55.306 54.000 -0.041 0.000 0.867 237 D CB 0.457 41.257 40.800 -0.001 0.000 0.960 237 D HN 0.819 nan 8.370 nan 0.000 0.509 238 M N -0.952 118.570 119.600 -0.130 0.000 2.534 238 M HA 0.456 4.936 4.480 0.001 0.000 0.280 238 M C -2.220 173.927 176.300 -0.256 0.000 1.217 238 M CA -0.866 54.355 55.300 -0.132 0.000 0.893 238 M CB 3.005 35.552 32.600 -0.089 0.000 1.730 238 M HN -0.402 nan 8.290 nan 0.000 0.483 239 V N 2.912 122.737 119.914 -0.148 0.000 2.448 239 V HA 0.521 4.642 4.120 0.001 0.000 0.295 239 V C -1.205 174.914 176.094 0.041 0.000 1.025 239 V CA -0.349 61.857 62.300 -0.157 0.000 0.859 239 V CB 1.664 33.416 31.823 -0.117 0.000 0.988 239 V HN 0.677 nan 8.190 nan 0.000 0.431 240 F N 3.871 123.774 119.950 -0.078 0.000 2.335 240 F HA 0.625 5.153 4.527 0.002 0.000 0.365 240 F C 0.735 176.494 175.800 -0.069 0.000 1.122 240 F CA -1.414 56.545 58.000 -0.069 0.000 1.151 240 F CB 0.812 39.777 39.000 -0.058 0.000 1.282 240 F HN 0.510 nan 8.300 nan 0.000 0.513 241 A N 2.833 125.718 122.820 0.107 0.000 2.289 241 A HA 0.611 4.932 4.320 0.001 0.000 0.298 241 A C 0.165 177.757 177.584 0.014 0.000 1.208 241 A CA -0.501 51.565 52.037 0.048 0.000 0.845 241 A CB 0.145 19.159 19.000 0.022 0.000 1.125 241 A HN 0.628 nan 8.150 nan 0.000 0.517 242 S N 1.404 117.122 115.700 0.029 0.000 2.584 242 S HA 0.572 5.043 4.470 0.001 0.000 0.273 242 S C -0.501 174.141 174.600 0.070 0.000 1.311 242 S CA -0.394 57.769 58.200 -0.062 0.000 1.034 242 S CB -0.153 63.002 63.200 -0.075 0.000 0.939 242 S HN 0.822 nan 8.310 nan 0.000 0.513 243 F N 0.080 120.026 119.950 -0.006 0.000 2.355 243 F HA -0.134 4.393 4.527 0.001 0.000 0.340 243 F C -0.472 175.321 175.800 -0.011 0.000 1.097 243 F CA -0.092 57.902 58.000 -0.010 0.000 1.174 243 F CB -1.399 37.592 39.000 -0.016 0.000 1.642 243 F HN 0.378 nan 8.300 nan 0.000 0.791 244 I N 3.293 123.905 120.570 0.071 0.000 2.433 244 I HA 0.413 4.584 4.170 0.001 0.000 0.292 244 I C 0.961 177.106 176.117 0.048 0.000 1.001 244 I CA -0.614 60.712 61.300 0.044 0.000 1.119 244 I CB 1.808 39.803 38.000 -0.009 0.000 1.289 244 I HN 0.535 nan 8.210 nan 0.000 0.438 245 R N 3.411 123.939 120.500 0.048 0.000 2.383 245 R HA 0.322 4.662 4.340 0.001 0.000 0.205 245 R C 0.236 176.553 176.300 0.027 0.000 0.875 245 R CA -0.277 55.852 56.100 0.048 0.000 1.039 245 R CB 0.734 31.074 30.300 0.066 0.000 1.267 245 R HN 0.397 nan 8.270 nan 0.000 0.635 246 K N 0.226 120.638 120.400 0.020 0.000 2.303 246 K HA 0.585 4.906 4.320 0.001 0.000 0.233 246 K C 0.322 176.915 176.600 -0.012 0.000 1.046 246 K CA -0.128 56.167 56.287 0.014 0.000 0.895 246 K CB 1.572 34.091 32.500 0.032 0.000 1.220 246 K HN -0.013 nan 8.250 nan 0.000 0.470 247 A N 0.210 123.031 122.820 0.000 0.000 2.115 247 A HA 0.152 4.473 4.320 0.001 0.000 0.211 247 A C 1.842 179.442 177.584 0.028 0.000 1.169 247 A CA 1.011 53.018 52.037 -0.051 0.000 0.787 247 A CB -0.386 18.610 19.000 -0.006 0.000 0.858 247 A HN 0.671 nan 8.150 nan 0.000 0.474 248 A N 0.573 123.486 122.820 0.156 0.000 2.019 248 A HA -0.142 4.179 4.320 0.001 0.000 0.219 248 A C 1.547 179.206 177.584 0.125 0.000 1.164 248 A CA 1.781 53.961 52.037 0.239 0.000 0.644 248 A CB -0.407 18.669 19.000 0.126 0.000 0.805 248 A HN 0.410 nan 8.150 nan 0.000 0.449 249 D N -0.234 120.194 120.400 0.046 0.000 2.178 249 D HA -0.075 4.566 4.640 0.001 0.000 0.202 249 D C 1.995 178.284 176.300 -0.019 0.000 0.974 249 D CA 1.243 55.257 54.000 0.023 0.000 0.841 249 D CB -0.343 40.469 40.800 0.019 0.000 0.953 249 D HN 0.260 nan 8.370 nan 0.000 0.478 250 V N 0.791 120.641 119.914 -0.106 0.000 2.427 250 V HA -0.238 3.883 4.120 0.001 0.000 0.248 250 V C 1.947 177.931 176.094 -0.183 0.000 1.051 250 V CA 1.584 63.772 62.300 -0.187 0.000 1.048 250 V CB -0.699 30.963 31.823 -0.269 0.000 0.666 250 V HN 0.247 nan 8.190 nan 0.000 0.456 251 H N 0.246 119.312 119.070 -0.007 0.000 2.267 251 H HA -0.175 4.382 4.556 0.001 0.000 0.297 251 H C 2.434 177.763 175.328 0.001 0.000 1.080 251 H CA 1.950 57.996 56.048 -0.004 0.000 1.278 251 H CB -0.141 29.618 29.762 -0.005 0.000 1.365 251 H HN 0.406 nan 8.280 nan 0.000 0.489 252 E N 0.208 120.475 120.200 0.111 0.000 2.169 252 E HA -0.201 4.150 4.350 0.001 0.000 0.202 252 E C 2.168 178.792 176.600 0.040 0.000 1.016 252 E CA 1.605 58.044 56.400 0.065 0.000 0.817 252 E CB -0.051 29.680 29.700 0.051 0.000 0.736 252 E HN 0.252 nan 8.360 nan 0.000 0.462 253 V N 0.226 120.152 119.914 0.021 0.000 2.871 253 V HA -0.157 3.964 4.120 0.001 0.000 0.256 253 V C 2.224 178.323 176.094 0.008 0.000 1.082 253 V CA 1.311 63.616 62.300 0.008 0.000 1.105 253 V CB -0.353 31.466 31.823 -0.008 0.000 0.713 253 V HN 0.130 nan 8.190 nan 0.000 0.473 254 R N 0.331 120.841 120.500 0.017 0.000 2.073 254 R HA -0.113 4.228 4.340 0.001 0.000 0.229 254 R C 2.351 178.670 176.300 0.032 0.000 1.120 254 R CA 1.479 57.593 56.100 0.024 0.000 0.967 254 R CB -0.155 30.174 30.300 0.049 0.000 0.862 254 R HN 0.397 nan 8.270 nan 0.000 0.436 255 K N 0.116 120.542 120.400 0.044 0.000 2.002 255 K HA -0.131 4.190 4.320 0.001 0.000 0.209 255 K C 1.817 178.434 176.600 0.028 0.000 1.048 255 K CA 1.681 57.990 56.287 0.038 0.000 0.930 255 K CB -0.143 32.383 32.500 0.043 0.000 0.714 255 K HN 0.045 nan 8.250 nan 0.000 0.438 256 I N 0.850 121.436 120.570 0.027 0.000 2.423 256 I HA -0.266 3.905 4.170 0.001 0.000 0.254 256 I C 1.821 177.948 176.117 0.017 0.000 1.151 256 I CA 0.922 62.237 61.300 0.024 0.000 1.421 256 I CB -0.073 37.942 38.000 0.024 0.000 1.079 256 I HN 0.161 nan 8.210 nan 0.000 0.431 257 L N -0.333 120.897 121.223 0.010 0.000 2.049 257 L HA 0.236 4.576 4.340 0.001 0.000 0.203 257 L C 1.383 178.256 176.870 0.006 0.000 1.074 257 L CA 1.250 56.091 54.840 0.001 0.000 0.749 257 L CB -1.081 40.973 42.059 -0.007 0.000 0.907 257 L HN 0.368 nan 8.230 nan 0.000 0.439 258 G N -0.706 108.101 108.800 0.012 0.000 2.916 258 G HA2 -0.324 3.637 3.960 0.001 0.000 0.533 258 G HA3 -0.324 3.637 3.960 0.001 0.000 0.533 258 G C 0.602 175.508 174.900 0.009 0.000 1.516 258 G CA 0.255 45.362 45.100 0.013 0.000 0.944 258 G HN 0.343 nan 8.290 nan 0.000 0.555 259 E N -0.094 120.112 120.200 0.010 0.000 2.245 259 E HA -0.308 4.043 4.350 0.001 0.000 0.217 259 E C 2.504 179.106 176.600 0.004 0.000 1.069 259 E CA 2.022 58.427 56.400 0.008 0.000 0.877 259 E CB -0.066 29.639 29.700 0.008 0.000 0.757 259 E HN 0.489 nan 8.360 nan 0.000 0.464 260 K N -0.552 119.848 120.400 0.001 0.000 2.002 260 K HA -0.094 4.227 4.320 0.001 0.000 0.209 260 K C 1.794 178.388 176.600 -0.010 0.000 1.048 260 K CA 1.374 57.658 56.287 -0.005 0.000 0.930 260 K CB -0.329 32.166 32.500 -0.008 0.000 0.714 260 K HN 0.210 nan 8.250 nan 0.000 0.438 261 G N 1.143 109.936 108.800 -0.012 0.000 3.424 261 G HA2 -0.034 3.927 3.960 0.001 0.000 0.263 261 G HA3 -0.034 3.927 3.960 0.001 0.000 0.263 261 G C 0.977 175.873 174.900 -0.007 0.000 1.310 261 G CA -0.204 44.885 45.100 -0.018 0.000 1.089 261 G HN 0.234 nan 8.290 nan 0.000 0.534 262 K N 0.616 121.017 120.400 0.001 0.000 2.020 262 K HA -0.142 4.179 4.320 0.001 0.000 0.212 262 K C 1.731 178.340 176.600 0.014 0.000 1.050 262 K CA 1.613 57.906 56.287 0.010 0.000 0.929 262 K CB -0.079 32.428 32.500 0.012 0.000 0.714 262 K HN 0.401 nan 8.250 nan 0.000 0.443 263 N N 0.259 118.966 118.700 0.013 0.000 2.567 263 N HA 0.048 4.789 4.740 0.001 0.000 0.195 263 N C -0.302 175.220 175.510 0.019 0.000 1.242 263 N CA 0.005 53.068 53.050 0.022 0.000 0.884 263 N CB 0.050 38.551 38.487 0.023 0.000 1.007 263 N HN 0.122 nan 8.380 nan 0.000 0.450 264 I N 0.702 121.275 120.570 0.005 0.000 2.488 264 I HA 0.157 4.328 4.170 0.001 0.000 0.299 264 I C 0.425 176.546 176.117 0.006 0.000 0.984 264 I CA -0.777 60.520 61.300 -0.006 0.000 1.250 264 I CB 1.130 39.109 38.000 -0.035 0.000 1.389 264 I HN -0.096 nan 8.210 nan 0.000 0.488 265 K N 5.572 125.978 120.400 0.010 0.000 2.143 265 K HA 0.571 4.892 4.320 0.001 0.000 0.272 265 K C -0.841 175.767 176.600 0.013 0.000 1.001 265 K CA -0.534 55.767 56.287 0.024 0.000 0.915 265 K CB 1.811 34.340 32.500 0.048 0.000 1.047 265 K HN 0.450 nan 8.250 nan 0.000 0.458 266 I N 3.879 124.455 120.570 0.011 0.000 2.390 266 I HA 0.281 4.452 4.170 0.001 0.000 0.283 266 I C -0.183 175.941 176.117 0.011 0.000 1.016 266 I CA -0.420 60.884 61.300 0.007 0.000 1.151 266 I CB 0.959 38.946 38.000 -0.021 0.000 1.293 266 I HN 0.357 nan 8.210 nan 0.000 0.458 267 I N 5.413 126.023 120.570 0.067 0.000 2.291 267 I HA 0.178 4.349 4.170 0.001 0.000 0.290 267 I C 0.120 176.235 176.117 -0.003 0.000 1.050 267 I CA 0.056 61.379 61.300 0.039 0.000 1.245 267 I CB 0.938 39.034 38.000 0.159 0.000 1.405 267 I HN 0.508 nan 8.210 nan 0.000 0.478 268 S N 7.048 122.717 115.700 -0.052 0.000 2.474 268 S HA 0.244 4.715 4.470 0.001 0.000 0.276 268 S C -0.185 174.368 174.600 -0.079 0.000 1.227 268 S CA -0.739 57.425 58.200 -0.060 0.000 1.050 268 S CB 0.378 63.531 63.200 -0.079 0.000 0.939 268 S HN 0.408 nan 8.310 nan 0.000 0.490 269 K N 2.965 123.305 120.400 -0.100 0.000 2.258 269 K HA 0.365 4.686 4.320 0.001 0.000 0.284 269 K C -0.687 175.832 176.600 -0.135 0.000 1.051 269 K CA -0.313 55.887 56.287 -0.146 0.000 0.923 269 K CB 0.774 33.152 32.500 -0.204 0.000 1.046 269 K HN 0.447 nan 8.250 nan 0.000 0.474 270 I N 2.863 123.374 120.570 -0.098 0.000 2.352 270 I HA -0.010 4.161 4.170 0.001 0.000 0.290 270 I C 0.875 176.916 176.117 -0.127 0.000 1.036 270 I CA 0.435 61.694 61.300 -0.068 0.000 1.336 270 I CB 0.769 38.768 38.000 -0.003 0.000 1.407 270 I HN 0.759 nan 8.210 nan 0.000 0.497 271 E N 3.288 123.407 120.200 -0.134 0.000 2.603 271 E HA 0.105 4.456 4.350 0.001 0.000 0.224 271 E C -0.413 176.184 176.600 -0.005 0.000 0.896 271 E CA -0.143 56.160 56.400 -0.161 0.000 1.224 271 E CB 0.579 29.990 29.700 -0.482 0.000 1.206 271 E HN 0.688 nan 8.360 nan 0.000 0.576 272 N N -0.982 117.747 118.700 0.048 0.000 2.813 272 N HA 0.144 4.885 4.740 0.001 0.000 0.320 272 N C 0.464 176.028 175.510 0.090 0.000 1.315 272 N CA -0.616 52.499 53.050 0.109 0.000 0.871 272 N CB 0.279 38.856 38.487 0.150 0.000 1.241 272 N HN -0.118 nan 8.380 nan 0.000 0.602 273 H N -0.158 118.926 119.070 0.022 0.000 2.355 273 H HA 0.114 4.671 4.556 0.001 0.000 0.303 273 H C 0.950 176.287 175.328 0.016 0.000 1.061 273 H CA 1.176 57.227 56.048 0.006 0.000 1.368 273 H CB 0.331 30.096 29.762 0.006 0.000 1.412 273 H HN 0.643 nan 8.280 nan 0.000 0.523 274 E N 0.037 120.322 120.200 0.141 0.000 2.130 274 E HA -0.146 4.205 4.350 0.001 0.000 0.196 274 E C 2.156 178.775 176.600 0.032 0.000 0.998 274 E CA 0.943 57.397 56.400 0.089 0.000 0.806 274 E CB -0.185 29.575 29.700 0.101 0.000 0.738 274 E HN 0.611 nan 8.360 nan 0.000 0.459 275 G N 0.404 109.225 108.800 0.036 0.000 2.433 275 G HA2 -0.235 3.726 3.960 0.001 0.000 0.216 275 G HA3 -0.235 3.726 3.960 0.001 0.000 0.216 275 G C 1.681 176.607 174.900 0.043 0.000 1.186 275 G CA 0.872 45.996 45.100 0.039 0.000 0.779 275 G HN 0.201 nan 8.290 nan 0.000 0.543 276 V N 0.968 120.852 119.914 -0.051 0.000 2.427 276 V HA -0.085 4.036 4.120 0.001 0.000 0.248 276 V C 2.785 178.825 176.094 -0.090 0.000 1.051 276 V CA 1.786 64.023 62.300 -0.105 0.000 1.048 276 V CB -0.386 31.296 31.823 -0.234 0.000 0.666 276 V HN 0.392 nan 8.190 nan 0.000 0.456 277 R N 0.666 121.077 120.500 -0.148 0.000 2.152 277 R HA -0.082 4.258 4.340 0.001 0.000 0.232 277 R C 1.476 177.776 176.300 0.000 0.000 1.117 277 R CA 1.308 57.351 56.100 -0.096 0.000 0.981 277 R CB 0.010 30.250 30.300 -0.100 0.000 0.870 277 R HN 0.369 nan 8.270 nan 0.000 0.451 278 R N -0.392 120.128 120.500 0.034 0.000 2.748 278 R HA 0.072 4.413 4.340 0.001 0.000 0.395 278 R C 0.419 176.755 176.300 0.059 0.000 1.128 278 R CA -0.355 55.770 56.100 0.041 0.000 1.042 278 R CB 0.165 30.480 30.300 0.025 0.000 1.392 278 R HN 0.093 nan 8.270 nan 0.000 0.582 279 F N 1.896 121.810 119.950 -0.060 0.000 2.102 279 F HA -0.191 4.337 4.527 0.001 0.000 0.298 279 F C 1.645 177.415 175.800 -0.050 0.000 1.105 279 F CA 1.722 59.685 58.000 -0.062 0.000 1.239 279 F CB 0.253 39.209 39.000 -0.073 0.000 0.991 279 F HN 0.075 nan 8.300 nan 0.000 0.474 280 D N 0.524 120.907 120.400 -0.027 0.000 2.106 280 D HA -0.264 4.377 4.640 0.001 0.000 0.191 280 D C 2.039 178.220 176.300 -0.198 0.000 0.997 280 D CA 2.007 55.932 54.000 -0.124 0.000 0.834 280 D CB -0.741 40.062 40.800 0.006 0.000 0.956 280 D HN 0.611 nan 8.370 nan 0.000 0.448 281 E N 0.839 120.967 120.200 -0.121 0.000 2.058 281 E HA -0.185 4.166 4.350 0.001 0.000 0.194 281 E C 2.268 178.769 176.600 -0.165 0.000 0.997 281 E CA 0.911 57.252 56.400 -0.099 0.000 0.801 281 E CB -0.525 29.153 29.700 -0.037 0.000 0.746 281 E HN 0.221 nan 8.360 nan 0.000 0.450 282 I N 0.925 121.357 120.570 -0.230 0.000 2.142 282 I HA -0.244 3.927 4.170 0.001 0.000 0.240 282 I C 2.553 178.444 176.117 -0.377 0.000 1.078 282 I CA 1.040 62.173 61.300 -0.277 0.000 1.343 282 I CB -0.277 37.579 38.000 -0.240 0.000 1.046 282 I HN 0.119 nan 8.210 nan 0.000 0.405 283 L N 0.265 121.110 121.223 -0.630 0.000 1.997 283 L HA -0.330 4.010 4.340 0.001 0.000 0.216 283 L C 2.553 179.253 176.870 -0.283 0.000 1.074 283 L CA 1.905 56.403 54.840 -0.571 0.000 0.763 283 L CB -0.363 41.311 42.059 -0.642 0.000 0.890 283 L HN 0.265 nan 8.230 nan 0.000 0.434 284 E N -0.933 119.136 120.200 -0.218 0.000 2.049 284 E HA -0.299 4.052 4.350 0.001 0.000 0.198 284 E C 2.077 178.617 176.600 -0.101 0.000 1.007 284 E CA 1.451 57.780 56.400 -0.118 0.000 0.809 284 E CB -0.213 29.443 29.700 -0.074 0.000 0.749 284 E HN 0.614 nan 8.360 nan 0.000 0.450 285 A N 0.467 123.205 122.820 -0.137 0.000 2.015 285 A HA -0.048 4.273 4.320 0.001 0.000 0.219 285 A C 1.379 178.861 177.584 -0.170 0.000 1.163 285 A CA 0.790 52.722 52.037 -0.176 0.000 0.646 285 A CB -0.148 18.637 19.000 -0.357 0.000 0.806 285 A HN 0.218 nan 8.150 nan 0.000 0.448 286 S N -0.258 115.340 115.700 -0.169 0.000 2.634 286 S HA 0.306 4.777 4.470 0.001 0.000 0.261 286 S C 0.111 174.660 174.600 -0.085 0.000 1.271 286 S CA -0.107 58.013 58.200 -0.133 0.000 0.985 286 S CB 0.727 63.847 63.200 -0.132 0.000 0.968 286 S HN 0.335 nan 8.310 nan 0.000 0.568 287 D N -0.599 119.765 120.400 -0.061 0.000 2.479 287 D HA 0.368 5.008 4.640 0.001 0.000 0.216 287 D C 0.555 176.823 176.300 -0.054 0.000 1.110 287 D CA 0.486 54.469 54.000 -0.029 0.000 0.841 287 D CB 0.723 41.520 40.800 -0.004 0.000 1.040 287 D HN 0.673 nan 8.370 nan 0.000 0.505 288 G N -0.548 108.208 108.800 -0.073 0.000 2.550 288 G HA2 0.612 4.573 3.960 0.001 0.000 0.293 288 G HA3 0.612 4.573 3.960 0.001 0.000 0.293 288 G C -1.624 173.224 174.900 -0.087 0.000 1.402 288 G CA -0.558 44.483 45.100 -0.099 0.000 0.784 288 G HN 0.003 nan 8.290 nan 0.000 0.482 289 I N -0.415 120.100 120.570 -0.092 0.000 3.102 289 I HA 0.694 4.864 4.170 0.001 0.000 0.310 289 I C -0.787 175.252 176.117 -0.129 0.000 1.246 289 I CA -0.789 60.468 61.300 -0.072 0.000 0.979 289 I CB 2.770 40.786 38.000 0.028 0.000 1.267 289 I HN 0.607 nan 8.210 nan 0.000 0.451 290 M N 3.732 123.250 119.600 -0.136 0.000 2.326 290 M HA 0.524 5.004 4.480 0.001 0.000 0.292 290 M C -1.897 174.316 176.300 -0.145 0.000 1.081 290 M CA -0.676 54.504 55.300 -0.200 0.000 0.919 290 M CB 1.968 34.370 32.600 -0.331 0.000 1.634 290 M HN 0.223 nan 8.290 nan 0.000 0.451 291 V N 4.452 124.285 119.914 -0.136 0.000 2.353 291 V HA 0.435 4.555 4.120 0.001 0.000 0.264 291 V C 0.349 176.367 176.094 -0.127 0.000 1.049 291 V CA -0.418 61.813 62.300 -0.116 0.000 0.896 291 V CB 0.619 32.381 31.823 -0.102 0.000 1.025 291 V HN 0.865 nan 8.190 nan 0.000 0.475 292 A N 5.597 128.333 122.820 -0.139 0.000 2.923 292 A HA 0.379 4.699 4.320 0.001 0.000 0.306 292 A C 1.366 178.884 177.584 -0.110 0.000 1.542 292 A CA -0.395 51.555 52.037 -0.146 0.000 1.225 292 A CB -0.269 18.609 19.000 -0.204 0.000 1.147 292 A HN 0.882 nan 8.150 nan 0.000 0.542 293 R N 1.411 121.862 120.500 -0.081 0.000 2.092 293 R HA -0.095 4.246 4.340 0.001 0.000 0.231 293 R C 2.307 178.582 176.300 -0.042 0.000 1.119 293 R CA 1.539 57.606 56.100 -0.055 0.000 0.970 293 R CB -0.140 30.138 30.300 -0.036 0.000 0.864 293 R HN 0.682 nan 8.270 nan 0.000 0.440 294 G N 0.507 109.284 108.800 -0.039 0.000 2.475 294 G HA2 -0.280 3.681 3.960 0.001 0.000 0.220 294 G HA3 -0.280 3.681 3.960 0.001 0.000 0.220 294 G C 1.025 175.916 174.900 -0.015 0.000 1.125 294 G CA 1.216 46.306 45.100 -0.018 0.000 0.755 294 G HN 0.233 nan 8.290 nan 0.000 0.565 295 D N -0.952 119.426 120.400 -0.037 0.000 2.463 295 D HA 0.071 4.712 4.640 0.001 0.000 0.237 295 D C 2.347 178.639 176.300 -0.014 0.000 1.013 295 D CA -0.220 53.773 54.000 -0.012 0.000 0.910 295 D CB 0.125 40.901 40.800 -0.040 0.000 1.080 295 D HN 0.118 nan 8.370 nan 0.000 0.498 296 L N 1.345 122.543 121.223 -0.043 0.000 2.083 296 L HA 0.011 4.352 4.340 0.001 0.000 0.209 296 L C 2.208 179.059 176.870 -0.032 0.000 1.083 296 L CA 1.792 56.613 54.840 -0.032 0.000 0.752 296 L CB -0.985 41.042 42.059 -0.055 0.000 0.899 296 L HN 0.045 nan 8.230 nan 0.000 0.433 297 G N -0.164 108.613 108.800 -0.038 0.000 2.513 297 G HA2 -0.307 3.654 3.960 0.001 0.000 0.219 297 G HA3 -0.307 3.654 3.960 0.001 0.000 0.219 297 G C 1.586 176.436 174.900 -0.084 0.000 1.160 297 G CA 1.482 46.556 45.100 -0.045 0.000 0.767 297 G HN 0.503 nan 8.290 nan 0.000 0.571 298 I N -0.039 120.472 120.570 -0.098 0.000 2.233 298 I HA -0.029 4.142 4.170 0.001 0.000 0.243 298 I C 2.647 178.658 176.117 -0.176 0.000 1.093 298 I CA 1.193 62.372 61.300 -0.201 0.000 1.380 298 I CB -0.345 37.568 38.000 -0.144 0.000 1.067 298 I HN 0.084 nan 8.210 nan 0.000 0.413 299 E N 1.324 121.489 120.200 -0.058 0.000 2.038 299 E HA -0.093 4.258 4.350 0.001 0.000 0.195 299 E C 0.757 177.354 176.600 -0.004 0.000 1.000 299 E CA 1.135 57.533 56.400 -0.004 0.000 0.803 299 E CB -0.155 29.580 29.700 0.057 0.000 0.750 299 E HN 0.580 nan 8.360 nan 0.000 0.448 300 I N -2.583 117.988 120.570 0.001 0.000 2.822 300 I HA 0.447 4.618 4.170 0.001 0.000 0.312 300 I C -2.322 173.786 176.117 -0.016 0.000 1.011 300 I CA -2.957 58.356 61.300 0.021 0.000 1.105 300 I CB 1.454 39.491 38.000 0.062 0.000 1.291 300 I HN -0.252 nan 8.210 nan 0.000 0.474 301 P HA 0.049 nan 4.420 nan 0.000 0.266 301 P C 0.523 177.823 177.300 -0.000 0.000 1.215 301 P CA 0.033 63.129 63.100 -0.008 0.000 0.763 301 P CB 1.084 32.789 31.700 0.008 0.000 0.806 302 A N 4.731 127.548 122.820 -0.005 0.000 2.042 302 A HA -0.257 4.064 4.320 0.001 0.000 0.222 302 A C 1.764 179.387 177.584 0.065 0.000 1.167 302 A CA 1.717 53.764 52.037 0.017 0.000 0.649 302 A CB -0.930 18.075 19.000 0.008 0.000 0.809 302 A HN 0.657 nan 8.150 nan 0.000 0.457 303 E N -0.099 120.147 120.200 0.076 0.000 2.268 303 E HA -0.152 4.199 4.350 0.001 0.000 0.195 303 E C 1.472 178.205 176.600 0.221 0.000 0.995 303 E CA 1.092 57.581 56.400 0.148 0.000 0.836 303 E CB -0.203 29.561 29.700 0.106 0.000 0.763 303 E HN 0.586 nan 8.360 nan 0.000 0.491 304 K N 0.840 121.272 120.400 0.054 0.000 2.444 304 K HA 0.062 4.383 4.320 0.001 0.000 0.193 304 K C 1.774 178.246 176.600 -0.213 0.000 1.024 304 K CA -0.017 56.196 56.287 -0.123 0.000 1.077 304 K CB 0.430 32.884 32.500 -0.076 0.000 0.833 304 K HN -0.020 nan 8.250 nan 0.000 0.517 305 V N 1.639 121.526 119.914 -0.046 0.000 2.261 305 V HA -0.291 3.830 4.120 0.001 0.000 0.246 305 V C 2.055 178.098 176.094 -0.084 0.000 1.047 305 V CA 2.028 64.302 62.300 -0.043 0.000 1.015 305 V CB -0.665 31.162 31.823 0.006 0.000 0.642 305 V HN 0.369 nan 8.190 nan 0.000 0.446 306 F N 0.897 120.824 119.950 -0.039 0.000 2.161 306 F HA -0.160 4.367 4.527 0.001 0.000 0.300 306 F C 1.940 177.707 175.800 -0.055 0.000 1.089 306 F CA 1.512 59.486 58.000 -0.043 0.000 1.282 306 F CB -1.513 37.468 39.000 -0.031 0.000 1.010 306 F HN 0.110 nan 8.300 nan 0.000 0.485 307 L N 1.160 121.698 121.223 -1.141 0.000 2.012 307 L HA -0.130 4.210 4.340 0.001 0.000 0.210 307 L C 2.904 179.552 176.870 -0.370 0.000 1.073 307 L CA 1.450 55.855 54.840 -0.726 0.000 0.748 307 L CB -1.543 40.096 42.059 -0.699 0.000 0.891 307 L HN 0.309 nan 8.230 nan 0.000 0.431 308 A N -0.657 121.969 122.820 -0.322 0.000 2.172 308 A HA -0.187 4.133 4.320 0.001 0.000 0.216 308 A C 2.323 179.773 177.584 -0.223 0.000 1.154 308 A CA 1.373 53.257 52.037 -0.256 0.000 0.701 308 A CB -0.465 18.407 19.000 -0.214 0.000 0.789 308 A HN 0.598 nan 8.150 nan 0.000 0.465 309 Q N 0.211 119.909 119.800 -0.169 0.000 2.089 309 Q HA -0.107 4.234 4.340 0.001 0.000 0.195 309 Q C 1.642 177.572 176.000 -0.118 0.000 0.963 309 Q CA 1.255 56.987 55.803 -0.118 0.000 0.834 309 Q CB -0.174 28.532 28.738 -0.054 0.000 0.906 309 Q HN 0.620 nan 8.270 nan 0.000 0.452 310 K N 0.622 120.967 120.400 -0.092 0.000 2.097 310 K HA -0.110 4.211 4.320 0.001 0.000 0.205 310 K C 2.252 178.772 176.600 -0.134 0.000 1.050 310 K CA 1.234 57.474 56.287 -0.078 0.000 0.938 310 K CB -0.371 32.115 32.500 -0.024 0.000 0.718 310 K HN 0.351 nan 8.250 nan 0.000 0.442 311 M N 1.686 121.174 119.600 -0.187 0.000 2.108 311 M HA -0.190 4.291 4.480 0.001 0.000 0.261 311 M C 1.956 178.063 176.300 -0.320 0.000 1.066 311 M CA 1.678 56.838 55.300 -0.233 0.000 1.107 311 M CB -0.203 32.228 32.600 -0.282 0.000 1.356 311 M HN 0.112 nan 8.290 nan 0.000 0.406 312 I N 0.538 120.871 120.570 -0.396 0.000 2.113 312 I HA -0.333 3.838 4.170 0.001 0.000 0.238 312 I C 2.439 178.420 176.117 -0.226 0.000 1.070 312 I CA 1.497 62.494 61.300 -0.506 0.000 1.332 312 I CB -0.637 37.107 38.000 -0.427 0.000 1.044 312 I HN 0.339 nan 8.210 nan 0.000 0.402 313 I N 0.895 121.374 120.570 -0.151 0.000 2.179 313 I HA -0.201 3.970 4.170 0.001 0.000 0.242 313 I C 2.757 178.837 176.117 -0.061 0.000 1.088 313 I CA 1.643 62.894 61.300 -0.081 0.000 1.357 313 I CB -1.155 36.807 38.000 -0.064 0.000 1.051 313 I HN 0.259 nan 8.210 nan 0.000 0.409 314 G N 0.744 109.498 108.800 -0.076 0.000 2.446 314 G HA2 -0.281 3.680 3.960 0.001 0.000 0.217 314 G HA3 -0.281 3.680 3.960 0.001 0.000 0.217 314 G C 1.811 176.691 174.900 -0.033 0.000 1.168 314 G CA 0.718 45.785 45.100 -0.055 0.000 0.771 314 G HN 0.232 nan 8.290 nan 0.000 0.551 315 R N -0.805 119.671 120.500 -0.039 0.000 2.120 315 R HA -0.002 4.339 4.340 0.001 0.000 0.234 315 R C 2.546 178.909 176.300 0.105 0.000 1.123 315 R CA 1.216 57.344 56.100 0.046 0.000 0.975 315 R CB -0.631 29.724 30.300 0.093 0.000 0.866 315 R HN 0.407 nan 8.270 nan 0.000 0.446 316 C N -0.332 119.025 119.300 0.095 0.000 2.464 316 C HA 0.082 4.543 4.460 0.001 0.000 0.278 316 C C 2.102 177.101 174.990 0.015 0.000 1.375 316 C CA 0.318 59.384 59.018 0.080 0.000 1.761 316 C CB -0.972 26.798 27.740 0.051 0.000 1.944 316 C HN 0.578 nan 8.230 nan 0.000 0.509 317 N N 0.397 119.094 118.700 -0.005 0.000 2.135 317 N HA -0.117 4.624 4.740 0.001 0.000 0.186 317 N C 2.121 177.604 175.510 -0.045 0.000 1.027 317 N CA 0.597 53.630 53.050 -0.029 0.000 0.849 317 N CB -0.295 38.175 38.487 -0.030 0.000 1.002 317 N HN 0.480 nan 8.380 nan 0.000 0.425 318 R N 1.416 121.901 120.500 -0.025 0.000 2.127 318 R HA -0.070 4.270 4.340 0.001 0.000 0.238 318 R C 1.662 177.950 176.300 -0.019 0.000 1.134 318 R CA 1.331 57.417 56.100 -0.024 0.000 0.975 318 R CB -0.094 30.207 30.300 0.002 0.000 0.865 318 R HN 0.141 nan 8.270 nan 0.000 0.447 319 A N -0.720 122.100 122.820 0.000 0.000 2.132 319 A HA 0.205 4.526 4.320 0.001 0.000 0.213 319 A C 1.502 179.080 177.584 -0.009 0.000 1.154 319 A CA 0.983 53.025 52.037 0.009 0.000 0.753 319 A CB 0.047 19.061 19.000 0.024 0.000 0.826 319 A HN 0.548 nan 8.150 nan 0.000 0.469 320 G N -1.138 107.645 108.800 -0.028 0.000 2.176 320 G HA2 -0.216 3.745 3.960 0.001 0.000 0.232 320 G HA3 -0.216 3.745 3.960 0.001 0.000 0.232 320 G C 0.115 175.046 174.900 0.053 0.000 0.986 320 G CA 0.383 45.476 45.100 -0.010 0.000 0.643 320 G HN 0.531 nan 8.290 nan 0.000 0.522 321 K N 1.524 121.932 120.400 0.013 0.000 2.185 321 K HA 0.524 4.845 4.320 0.001 0.000 0.269 321 K C -2.373 174.160 176.600 -0.112 0.000 0.987 321 K CA -2.097 54.175 56.287 -0.025 0.000 0.865 321 K CB 1.851 34.330 32.500 -0.035 0.000 1.090 321 K HN -0.012 nan 8.250 nan 0.000 0.450 322 P HA -0.028 nan 4.420 nan 0.000 0.268 322 P C -0.946 176.234 177.300 -0.199 0.000 1.205 322 P CA -0.290 62.597 63.100 -0.354 0.000 0.771 322 P CB 0.782 32.093 31.700 -0.647 0.000 0.858 323 V N 4.487 124.312 119.914 -0.148 0.000 2.789 323 V HA 0.518 4.639 4.120 0.001 0.000 0.311 323 V C -0.686 175.338 176.094 -0.117 0.000 1.073 323 V CA -0.986 61.249 62.300 -0.108 0.000 0.921 323 V CB 1.594 33.381 31.823 -0.060 0.000 1.009 323 V HN 0.296 nan 8.190 nan 0.000 0.426 324 I N 5.658 126.142 120.570 -0.143 0.000 2.493 324 I HA 0.505 4.676 4.170 0.001 0.000 0.298 324 I C -0.552 175.484 176.117 -0.135 0.000 0.998 324 I CA -0.519 60.688 61.300 -0.156 0.000 1.137 324 I CB 1.779 39.628 38.000 -0.252 0.000 1.310 324 I HN 0.652 nan 8.210 nan 0.000 0.445 325 C N 6.182 125.421 119.300 -0.102 0.000 2.301 325 C HA 0.912 5.373 4.460 0.001 0.000 0.323 325 C C 0.169 175.115 174.990 -0.073 0.000 1.265 325 C CA 0.060 59.030 59.018 -0.080 0.000 1.503 325 C CB -0.343 27.366 27.740 -0.052 0.000 2.195 325 C HN 0.941 nan 8.230 nan 0.000 0.477 326 A N 3.946 126.719 122.820 -0.079 0.000 2.524 326 A HA 0.958 5.278 4.320 0.001 0.000 0.289 326 A C -0.020 177.537 177.584 -0.044 0.000 1.248 326 A CA -0.104 51.896 52.037 -0.062 0.000 0.712 326 A CB 0.657 19.603 19.000 -0.090 0.000 1.312 326 A HN 1.556 nan 8.150 nan 0.000 0.441 327 T N 0.559 115.097 114.554 -0.027 0.000 0.709 327 T HA -0.085 4.265 4.350 0.001 0.000 0.756 327 T C -0.138 174.561 174.700 -0.001 0.000 0.989 327 T CA 1.313 63.406 62.100 -0.011 0.000 3.990 327 T CB -1.388 67.467 68.868 -0.022 0.000 2.255 327 T HN 1.527 nan 8.240 nan 0.000 0.391 328 Q N 0.548 120.356 119.800 0.013 0.000 2.459 328 Q HA -0.200 4.141 4.340 0.001 0.000 0.314 328 Q C 1.026 177.034 176.000 0.013 0.000 1.432 328 Q CA 0.989 56.803 55.803 0.018 0.000 0.823 328 Q CB -0.853 27.895 28.738 0.017 0.000 1.124 328 Q HN 0.815 nan 8.270 nan 0.000 0.392 329 M N -0.436 119.172 119.600 0.014 0.000 2.501 329 M HA 0.061 4.542 4.480 0.001 0.000 0.261 329 M C 0.033 176.342 176.300 0.016 0.000 1.129 329 M CA 0.699 56.005 55.300 0.011 0.000 1.126 329 M CB 0.650 33.255 32.600 0.009 0.000 1.359 329 M HN 0.298 nan 8.290 nan 0.000 0.471 330 L N -0.583 120.654 121.223 0.022 0.000 2.742 330 L HA 0.182 4.523 4.340 0.001 0.000 0.317 330 L C 0.734 177.623 176.870 0.032 0.000 1.306 330 L CA 0.202 55.056 54.840 0.024 0.000 0.692 330 L CB -0.018 42.059 42.059 0.030 0.000 1.065 330 L HN 0.016 nan 8.230 nan 0.000 0.538 331 E N -0.052 120.166 120.200 0.031 0.000 2.026 331 E HA -0.298 4.053 4.350 0.001 0.000 0.206 331 E C 1.872 178.498 176.600 0.043 0.000 1.028 331 E CA 2.236 58.659 56.400 0.038 0.000 0.845 331 E CB 0.196 29.918 29.700 0.037 0.000 0.772 331 E HN 0.592 nan 8.360 nan 0.000 0.462 332 S N 0.492 116.211 115.700 0.032 0.000 2.421 332 S HA -0.288 4.183 4.470 0.001 0.000 0.239 332 S C 1.956 176.575 174.600 0.033 0.000 1.054 332 S CA 1.950 60.166 58.200 0.027 0.000 1.035 332 S CB -0.399 62.807 63.200 0.011 0.000 0.840 332 S HN 0.302 nan 8.310 nan 0.000 0.475 333 M N 0.036 119.655 119.600 0.032 0.000 2.549 333 M HA 0.140 4.620 4.480 0.001 0.000 0.260 333 M C 1.677 178.052 176.300 0.125 0.000 1.076 333 M CA 0.779 56.102 55.300 0.039 0.000 1.090 333 M CB -0.292 32.331 32.600 0.038 0.000 1.418 333 M HN 0.431 nan 8.290 nan 0.000 0.486 334 I N 0.158 120.796 120.570 0.113 0.000 2.179 334 I HA -0.340 3.831 4.170 0.001 0.000 0.242 334 I C 1.965 178.192 176.117 0.183 0.000 1.088 334 I CA 1.522 62.900 61.300 0.129 0.000 1.357 334 I CB -0.070 37.981 38.000 0.086 0.000 1.051 334 I HN 0.240 nan 8.210 nan 0.000 0.409 335 K N -0.044 120.457 120.400 0.169 0.000 2.348 335 K HA 0.160 4.481 4.320 0.001 0.000 0.194 335 K C 0.125 176.889 176.600 0.275 0.000 1.052 335 K CA 0.240 56.647 56.287 0.200 0.000 1.004 335 K CB 0.454 33.021 32.500 0.111 0.000 0.873 335 K HN 0.173 nan 8.250 nan 0.000 0.523 336 K N 1.059 121.537 120.400 0.129 0.000 2.259 336 K HA 0.204 4.525 4.320 0.001 0.000 0.252 336 K C -2.242 174.122 176.600 -0.394 0.000 0.936 336 K CA -2.159 54.081 56.287 -0.079 0.000 0.810 336 K CB 1.720 34.181 32.500 -0.064 0.000 1.143 336 K HN -0.307 nan 8.250 nan 0.000 0.427 337 P HA -0.151 nan 4.420 nan 0.000 0.215 337 P C -0.344 176.735 177.300 -0.369 0.000 1.157 337 P CA 1.192 63.727 63.100 -0.942 0.000 0.863 337 P CB 0.309 31.553 31.700 -0.759 0.000 0.787 338 R N 0.091 120.449 120.500 -0.236 0.000 2.312 338 R HA 0.349 4.690 4.340 0.001 0.000 0.311 338 R C -2.101 174.151 176.300 -0.080 0.000 1.004 338 R CA -2.143 53.884 56.100 -0.122 0.000 0.902 338 R CB 0.485 30.731 30.300 -0.091 0.000 1.073 338 R HN 0.097 nan 8.270 nan 0.000 0.457 339 P HA -0.007 nan 4.420 nan 0.000 0.274 339 P C -0.234 177.052 177.300 -0.024 0.000 1.264 339 P CA -0.292 62.792 63.100 -0.026 0.000 0.795 339 P CB 0.345 32.038 31.700 -0.013 0.000 1.064 340 T N -2.806 111.739 114.554 -0.015 0.000 2.927 340 T HA 0.346 4.697 4.350 0.001 0.000 0.281 340 T C 1.219 175.911 174.700 -0.013 0.000 0.998 340 T CA -0.589 61.503 62.100 -0.014 0.000 1.019 340 T CB 0.837 69.700 68.868 -0.008 0.000 1.061 340 T HN -0.007 nan 8.240 nan 0.000 0.518 341 R N 0.903 121.394 120.500 -0.015 0.000 2.127 341 R HA 0.077 4.418 4.340 0.001 0.000 0.238 341 R C 2.429 178.719 176.300 -0.016 0.000 1.134 341 R CA 1.699 57.790 56.100 -0.016 0.000 0.975 341 R CB -1.557 28.733 30.300 -0.018 0.000 0.865 341 R HN 0.857 nan 8.270 nan 0.000 0.447 342 A N -0.178 122.634 122.820 -0.014 0.000 2.072 342 A HA -0.006 4.315 4.320 0.001 0.000 0.216 342 A C 1.833 179.412 177.584 -0.009 0.000 1.156 342 A CA 0.702 52.730 52.037 -0.014 0.000 0.701 342 A CB -0.105 18.887 19.000 -0.013 0.000 0.816 342 A HN 0.304 nan 8.150 nan 0.000 0.458 343 E N -0.343 119.854 120.200 -0.006 0.000 2.107 343 E HA -0.074 4.277 4.350 0.001 0.000 0.191 343 E C 2.055 178.654 176.600 -0.001 0.000 0.982 343 E CA 0.857 57.256 56.400 -0.001 0.000 0.809 343 E CB -0.245 29.456 29.700 0.002 0.000 0.756 343 E HN 0.581 nan 8.360 nan 0.000 0.459 344 G N 0.620 109.417 108.800 -0.005 0.000 2.421 344 G HA2 -0.236 3.724 3.960 0.001 0.000 0.217 344 G HA3 -0.236 3.724 3.960 0.001 0.000 0.217 344 G C 1.685 176.581 174.900 -0.007 0.000 1.143 344 G CA 0.930 46.027 45.100 -0.005 0.000 0.784 344 G HN 0.357 nan 8.290 nan 0.000 0.541 345 S N 0.527 116.221 115.700 -0.011 0.000 2.436 345 S HA -0.078 4.393 4.470 0.001 0.000 0.228 345 S C 1.787 176.382 174.600 -0.009 0.000 1.014 345 S CA 1.381 59.573 58.200 -0.013 0.000 0.950 345 S CB -0.076 63.111 63.200 -0.021 0.000 0.784 345 S HN 0.288 nan 8.310 nan 0.000 0.504 346 D N 1.818 122.215 120.400 -0.006 0.000 2.097 346 D HA -0.057 4.583 4.640 0.001 0.000 0.197 346 D C 1.876 178.177 176.300 0.001 0.000 0.984 346 D CA 1.103 55.102 54.000 -0.002 0.000 0.826 346 D CB -0.466 40.334 40.800 0.000 0.000 0.973 346 D HN 0.250 nan 8.370 nan 0.000 0.460 347 V N 0.615 120.530 119.914 0.002 0.000 2.427 347 V HA -0.124 3.997 4.120 0.001 0.000 0.248 347 V C 2.502 178.598 176.094 0.004 0.000 1.051 347 V CA 1.669 63.972 62.300 0.004 0.000 1.048 347 V CB -0.623 31.205 31.823 0.008 0.000 0.666 347 V HN 0.331 nan 8.190 nan 0.000 0.456 348 A N 0.043 122.864 122.820 0.002 0.000 1.897 348 A HA -0.202 4.118 4.320 0.001 0.000 0.215 348 A C 2.009 179.597 177.584 0.007 0.000 1.181 348 A CA 2.017 54.056 52.037 0.003 0.000 0.620 348 A CB -0.686 18.312 19.000 -0.002 0.000 0.821 348 A HN 0.636 nan 8.150 nan 0.000 0.443 349 N N -0.024 118.680 118.700 0.007 0.000 2.270 349 N HA 0.026 4.766 4.740 0.001 0.000 0.181 349 N C 1.755 177.272 175.510 0.012 0.000 1.016 349 N CA 0.890 53.948 53.050 0.013 0.000 0.870 349 N CB -0.192 38.301 38.487 0.010 0.000 0.979 349 N HN 0.463 nan 8.380 nan 0.000 0.431 350 A N 0.224 123.048 122.820 0.007 0.000 2.070 350 A HA -0.053 4.268 4.320 0.001 0.000 0.220 350 A C 2.137 179.721 177.584 0.001 0.000 1.159 350 A CA 0.976 53.014 52.037 0.002 0.000 0.656 350 A CB -0.312 18.686 19.000 -0.004 0.000 0.800 350 A HN 0.117 nan 8.150 nan 0.000 0.453 351 V N -0.669 119.249 119.914 0.007 0.000 2.535 351 V HA -0.091 4.030 4.120 0.001 0.000 0.246 351 V C 2.325 178.427 176.094 0.014 0.000 1.045 351 V CA 1.070 63.376 62.300 0.011 0.000 1.058 351 V CB -0.407 31.423 31.823 0.013 0.000 0.689 351 V HN 0.436 nan 8.190 nan 0.000 0.461 352 L N -0.013 121.220 121.223 0.017 0.000 2.093 352 L HA -0.091 4.250 4.340 0.001 0.000 0.208 352 L C 2.185 179.062 176.870 0.011 0.000 1.085 352 L CA 1.713 56.567 54.840 0.023 0.000 0.755 352 L CB -1.315 40.768 42.059 0.040 0.000 0.904 352 L HN 0.317 nan 8.230 nan 0.000 0.435 353 D N 0.196 120.601 120.400 0.008 0.000 2.190 353 D HA -0.112 4.529 4.640 0.001 0.000 0.200 353 D C 1.497 177.790 176.300 -0.013 0.000 0.992 353 D CA 1.442 55.440 54.000 -0.003 0.000 0.854 353 D CB -0.056 40.742 40.800 -0.003 0.000 0.936 353 D HN 0.441 nan 8.370 nan 0.000 0.462 354 G N -0.250 108.546 108.800 -0.006 0.000 2.215 354 G HA2 -0.057 3.904 3.960 0.001 0.000 0.198 354 G HA3 -0.057 3.904 3.960 0.001 0.000 0.198 354 G C 0.220 175.115 174.900 -0.009 0.000 1.047 354 G CA 0.115 45.213 45.100 -0.003 0.000 0.747 354 G HN 0.564 nan 8.290 nan 0.000 0.495 355 A N -0.405 122.407 122.820 -0.013 0.000 2.440 355 A HA 0.600 4.921 4.320 0.001 0.000 0.251 355 A C 0.973 178.546 177.584 -0.019 0.000 1.089 355 A CA 0.795 52.817 52.037 -0.026 0.000 0.779 355 A CB 0.330 19.311 19.000 -0.031 0.000 1.022 355 A HN 0.327 nan 8.150 nan 0.000 0.492 356 D N -0.029 120.350 120.400 -0.036 0.000 2.317 356 D HA 0.108 4.748 4.640 0.001 0.000 0.211 356 D C -0.291 176.000 176.300 -0.014 0.000 0.966 356 D CA 1.116 55.102 54.000 -0.023 0.000 0.876 356 D CB 0.051 40.811 40.800 -0.068 0.000 0.927 356 D HN 0.520 nan 8.370 nan 0.000 0.519 357 C N 0.957 120.239 119.300 -0.031 0.000 2.701 357 C HA 0.531 4.991 4.460 0.001 0.000 0.336 357 C C -0.145 174.827 174.990 -0.031 0.000 1.123 357 C CA -1.564 57.441 59.018 -0.021 0.000 1.326 357 C CB 0.720 28.450 27.740 -0.017 0.000 1.833 357 C HN 0.214 nan 8.230 nan 0.000 0.473 358 I N 1.282 121.846 120.570 -0.011 0.000 2.822 358 I HA 0.893 5.064 4.170 0.001 0.000 0.312 358 I C -0.595 175.518 176.117 -0.007 0.000 1.011 358 I CA -0.719 60.574 61.300 -0.012 0.000 1.105 358 I CB 1.818 39.818 38.000 0.001 0.000 1.291 358 I HN 0.922 nan 8.210 nan 0.000 0.474 359 M N 4.867 124.462 119.600 -0.009 0.000 2.414 359 M HA 0.478 4.959 4.480 0.001 0.000 0.287 359 M C -2.560 173.749 176.300 0.014 0.000 1.181 359 M CA -0.640 54.663 55.300 0.005 0.000 0.933 359 M CB 2.469 35.070 32.600 0.001 0.000 1.732 359 M HN 0.703 nan 8.290 nan 0.000 0.486 360 L N 3.068 124.311 121.223 0.034 0.000 2.295 360 L HA 0.552 4.893 4.340 0.001 0.000 0.285 360 L C 0.312 177.217 176.870 0.057 0.000 1.035 360 L CA -0.277 54.589 54.840 0.044 0.000 0.806 360 L CB 1.865 43.955 42.059 0.050 0.000 1.214 360 L HN 0.986 nan 8.230 nan 0.000 0.426 361 S N 0.864 116.599 115.700 0.058 0.000 2.931 361 S HA 0.116 4.587 4.470 0.001 0.000 0.251 361 S C 1.514 176.163 174.600 0.081 0.000 1.078 361 S CA 0.414 58.658 58.200 0.073 0.000 0.835 361 S CB 0.557 63.795 63.200 0.062 0.000 0.798 361 S HN 0.834 nan 8.310 nan 0.000 0.495 362 G N 1.724 110.567 108.800 0.073 0.000 2.437 362 G HA2 0.000 3.961 3.960 0.001 0.000 0.212 362 G HA3 0.000 3.961 3.960 0.001 0.000 0.212 362 G C 1.035 175.980 174.900 0.074 0.000 1.174 362 G CA 0.292 45.437 45.100 0.076 0.000 0.811 362 G HN 0.425 nan 8.290 nan 0.000 0.537 363 E N 0.404 120.647 120.200 0.071 0.000 2.267 363 E HA -0.067 4.284 4.350 0.001 0.000 0.197 363 E C 2.436 179.082 176.600 0.076 0.000 0.998 363 E CA 1.578 58.025 56.400 0.078 0.000 0.830 363 E CB -0.126 29.618 29.700 0.073 0.000 0.751 363 E HN 0.593 nan 8.360 nan 0.000 0.491 364 T N -4.086 110.510 114.554 0.071 0.000 2.975 364 T HA 0.520 4.871 4.350 0.001 0.000 0.257 364 T C 1.472 176.213 174.700 0.069 0.000 1.003 364 T CA 0.177 62.316 62.100 0.066 0.000 0.932 364 T CB 0.515 69.421 68.868 0.063 0.000 1.087 364 T HN 0.106 nan 8.240 nan 0.000 0.512 365 A N 1.879 124.746 122.820 0.079 0.000 2.051 365 A HA 0.455 4.776 4.320 0.001 0.000 0.218 365 A C 2.242 179.873 177.584 0.077 0.000 1.575 365 A CA 0.309 52.401 52.037 0.092 0.000 0.700 365 A CB -0.290 18.781 19.000 0.120 0.000 1.245 365 A HN 0.255 nan 8.150 nan 0.000 0.536 366 K N -0.175 120.270 120.400 0.074 0.000 2.001 366 K HA 0.008 4.329 4.320 0.001 0.000 0.208 366 K C 1.178 177.800 176.600 0.037 0.000 1.048 366 K CA 0.643 56.962 56.287 0.054 0.000 0.932 366 K CB -0.813 31.721 32.500 0.057 0.000 0.715 366 K HN 0.527 nan 8.250 nan 0.000 0.437 367 G N 1.704 110.531 108.800 0.046 0.000 2.983 367 G HA2 -0.242 3.719 3.960 0.001 0.000 0.234 367 G HA3 -0.242 3.719 3.960 0.001 0.000 0.234 367 G C -0.044 174.850 174.900 -0.010 0.000 0.734 367 G CA 0.407 45.532 45.100 0.041 0.000 1.049 367 G HN 0.371 nan 8.290 nan 0.000 0.348 368 D N 0.120 120.492 120.400 -0.045 0.000 2.423 368 D HA 0.091 4.731 4.640 0.001 0.000 0.208 368 D C 0.627 176.606 176.300 -0.535 0.000 1.068 368 D CA 0.561 54.412 54.000 -0.248 0.000 0.860 368 D CB 0.361 40.982 40.800 -0.298 0.000 0.992 368 D HN 0.482 nan 8.370 nan 0.000 0.504 369 Y N -0.346 119.967 120.300 0.021 0.000 2.698 369 Y HA 0.222 4.773 4.550 0.001 0.000 0.261 369 Y C -1.596 174.318 175.900 0.022 0.000 1.104 369 Y CA -1.616 56.496 58.100 0.020 0.000 1.145 369 Y CB 0.811 39.282 38.460 0.019 0.000 1.191 369 Y HN -0.062 nan 8.280 nan 0.000 0.564 370 P HA -0.294 nan 4.420 nan 0.000 0.221 370 P C 1.455 178.801 177.300 0.078 0.000 1.160 370 P CA 1.706 64.849 63.100 0.072 0.000 0.933 370 P CB 0.371 32.096 31.700 0.041 0.000 0.793 371 L N -0.872 120.394 121.223 0.072 0.000 2.027 371 L HA -0.141 4.200 4.340 0.001 0.000 0.206 371 L C 2.451 179.364 176.870 0.073 0.000 1.074 371 L CA 1.829 56.706 54.840 0.061 0.000 0.745 371 L CB -1.759 40.330 42.059 0.049 0.000 0.898 371 L HN -0.097 nan 8.230 nan 0.000 0.433 372 E N -0.219 120.048 120.200 0.112 0.000 2.273 372 E HA -0.200 4.151 4.350 0.001 0.000 0.198 372 E C 2.240 178.885 176.600 0.075 0.000 1.002 372 E CA 1.150 57.609 56.400 0.098 0.000 0.828 372 E CB -0.404 29.378 29.700 0.136 0.000 0.747 372 E HN 0.495 nan 8.360 nan 0.000 0.491 373 A N 0.173 123.046 122.820 0.089 0.000 1.872 373 A HA -0.109 4.212 4.320 0.001 0.000 0.214 373 A C 2.421 180.041 177.584 0.060 0.000 1.187 373 A CA 1.157 53.237 52.037 0.072 0.000 0.614 373 A CB -0.573 18.474 19.000 0.078 0.000 0.826 373 A HN 0.159 nan 8.150 nan 0.000 0.442 374 V N -0.074 119.873 119.914 0.054 0.000 2.407 374 V HA -0.254 3.866 4.120 0.001 0.000 0.248 374 V C 2.630 178.759 176.094 0.058 0.000 1.055 374 V CA 2.249 64.577 62.300 0.047 0.000 1.049 374 V CB -0.832 31.005 31.823 0.024 0.000 0.662 374 V HN 0.508 nan 8.190 nan 0.000 0.455 375 R N -0.752 119.773 120.500 0.042 0.000 2.083 375 R HA -0.170 4.171 4.340 0.001 0.000 0.237 375 R C 2.293 178.655 176.300 0.105 0.000 1.137 375 R CA 2.116 58.243 56.100 0.044 0.000 0.951 375 R CB -0.348 29.968 30.300 0.027 0.000 0.851 375 R HN 0.416 nan 8.270 nan 0.000 0.434 376 M N 0.239 119.886 119.600 0.077 0.000 2.394 376 M HA -0.120 4.361 4.480 0.001 0.000 0.264 376 M C 1.851 178.198 176.300 0.077 0.000 1.073 376 M CA 1.324 56.666 55.300 0.070 0.000 1.111 376 M CB 0.312 32.935 32.600 0.038 0.000 1.401 376 M HN 0.108 nan 8.290 nan 0.000 0.448 377 Q N -1.237 118.615 119.800 0.087 0.000 2.224 377 Q HA -0.236 4.105 4.340 0.001 0.000 0.203 377 Q C 1.729 177.789 176.000 0.099 0.000 0.970 377 Q CA 1.694 57.543 55.803 0.077 0.000 0.865 377 Q CB -0.166 28.613 28.738 0.069 0.000 0.922 377 Q HN 0.710 nan 8.270 nan 0.000 0.445 378 H N -0.315 118.769 119.070 0.023 0.000 2.403 378 H HA -0.041 4.515 4.556 0.001 0.000 0.298 378 H C 1.797 177.141 175.328 0.028 0.000 1.059 378 H CA 0.922 56.987 56.048 0.028 0.000 1.363 378 H CB 0.173 29.953 29.762 0.031 0.000 1.410 378 H HN 0.058 nan 8.280 nan 0.000 0.528 379 L N 0.167 121.443 121.223 0.088 0.000 2.072 379 L HA -0.058 4.283 4.340 0.001 0.000 0.205 379 L C 2.331 179.191 176.870 -0.016 0.000 1.079 379 L CA 1.134 55.993 54.840 0.031 0.000 0.752 379 L CB -0.298 41.809 42.059 0.081 0.000 0.906 379 L HN 0.414 nan 8.230 nan 0.000 0.436 380 I N -0.962 119.611 120.570 0.004 0.000 2.315 380 I HA -0.270 3.901 4.170 0.001 0.000 0.248 380 I C 2.579 178.685 176.117 -0.020 0.000 1.117 380 I CA 1.037 62.334 61.300 -0.004 0.000 1.404 380 I CB -0.542 37.461 38.000 0.006 0.000 1.071 380 I HN 0.224 nan 8.210 nan 0.000 0.419 381 A N 0.937 123.737 122.820 -0.032 0.000 1.902 381 A HA -0.198 4.123 4.320 0.001 0.000 0.217 381 A C 2.424 179.972 177.584 -0.059 0.000 1.181 381 A CA 1.375 53.389 52.037 -0.038 0.000 0.623 381 A CB -0.535 18.450 19.000 -0.025 0.000 0.818 381 A HN 0.294 nan 8.150 nan 0.000 0.443 382 R N -0.953 119.477 120.500 -0.117 0.000 2.081 382 R HA -0.145 4.196 4.340 0.001 0.000 0.235 382 R C 2.192 178.468 176.300 -0.040 0.000 1.131 382 R CA 1.660 57.698 56.100 -0.104 0.000 0.960 382 R CB -0.235 29.973 30.300 -0.153 0.000 0.856 382 R HN 0.652 nan 8.270 nan 0.000 0.436 383 E N 0.330 120.512 120.200 -0.030 0.000 2.072 383 E HA -0.071 4.280 4.350 0.001 0.000 0.190 383 E C 1.765 178.368 176.600 0.005 0.000 0.982 383 E CA 1.221 57.616 56.400 -0.009 0.000 0.803 383 E CB -0.003 29.690 29.700 -0.012 0.000 0.755 383 E HN 0.331 nan 8.360 nan 0.000 0.453 384 A N 0.435 123.257 122.820 0.003 0.000 2.014 384 A HA -0.139 4.181 4.320 0.001 0.000 0.218 384 A C 1.855 179.459 177.584 0.033 0.000 1.163 384 A CA 1.233 53.279 52.037 0.014 0.000 0.652 384 A CB -0.355 18.650 19.000 0.010 0.000 0.808 384 A HN 0.225 nan 8.150 nan 0.000 0.449 385 E N -0.474 119.748 120.200 0.038 0.000 2.204 385 E HA -0.033 4.318 4.350 0.001 0.000 0.194 385 E C 1.932 178.618 176.600 0.143 0.000 0.989 385 E CA 0.768 57.214 56.400 0.076 0.000 0.824 385 E CB -0.111 29.623 29.700 0.057 0.000 0.756 385 E HN 0.627 nan 8.360 nan 0.000 0.477 386 A N 0.547 123.439 122.820 0.119 0.000 2.147 386 A HA 0.282 4.603 4.320 0.001 0.000 0.211 386 A C 2.090 179.768 177.584 0.157 0.000 1.160 386 A CA 0.661 52.804 52.037 0.177 0.000 0.781 386 A CB 0.157 19.220 19.000 0.106 0.000 0.842 386 A HN 0.216 nan 8.150 nan 0.000 0.475 387 A N -0.601 122.274 122.820 0.092 0.000 2.167 387 A HA 0.296 4.617 4.320 0.001 0.000 0.214 387 A C 1.159 178.865 177.584 0.202 0.000 1.151 387 A CA 0.069 52.152 52.037 0.078 0.000 0.735 387 A CB -0.514 18.486 19.000 0.000 0.000 0.802 387 A HN 0.530 nan 8.150 nan 0.000 0.467 388 M N -0.761 118.881 119.600 0.070 0.000 2.252 388 M HA 0.058 4.539 4.480 0.001 0.000 0.321 388 M C -0.200 176.060 176.300 -0.067 0.000 1.070 388 M CA 0.341 55.589 55.300 -0.086 0.000 1.143 388 M CB 0.207 32.561 32.600 -0.409 0.000 1.498 388 M HN 0.328 nan 8.290 nan 0.000 0.445 389 F N 3.310 123.053 119.950 -0.344 0.000 2.441 389 F HA 0.239 4.767 4.527 0.001 0.000 0.337 389 F C 1.073 176.663 175.800 -0.351 0.000 1.182 389 F CA -0.692 56.970 58.000 -0.563 0.000 1.279 389 F CB -0.692 37.960 39.000 -0.580 0.000 1.614 389 F HN 0.551 nan 8.300 nan 0.000 0.574 390 H N 1.530 120.577 119.070 -0.039 0.000 2.426 390 H HA -0.194 4.363 4.556 0.001 0.000 0.298 390 H C 2.321 177.437 175.328 -0.353 0.000 1.107 390 H CA 1.676 57.624 56.048 -0.167 0.000 1.298 390 H CB 0.158 29.772 29.762 -0.246 0.000 1.377 390 H HN 0.497 nan 8.280 nan 0.000 0.519 391 R N 1.165 121.435 120.500 -0.383 0.000 2.062 391 R HA -0.106 4.235 4.340 0.001 0.000 0.231 391 R C 2.354 178.430 176.300 -0.374 0.000 1.136 391 R CA 1.390 57.240 56.100 -0.416 0.000 0.948 391 R CB 0.107 30.173 30.300 -0.391 0.000 0.845 391 R HN 0.112 nan 8.270 nan 0.000 0.430 392 K N 0.259 120.199 120.400 -0.767 0.000 1.985 392 K HA -0.164 4.157 4.320 0.001 0.000 0.210 392 K C 2.080 178.524 176.600 -0.260 0.000 1.047 392 K CA 1.531 57.475 56.287 -0.572 0.000 0.932 392 K CB -0.361 31.676 32.500 -0.772 0.000 0.716 392 K HN 0.054 nan 8.250 nan 0.000 0.439 393 L N 0.375 121.462 121.223 -0.226 0.000 2.011 393 L HA -0.269 4.072 4.340 0.001 0.000 0.225 393 L C 2.090 179.016 176.870 0.093 0.000 1.084 393 L CA 1.930 56.742 54.840 -0.047 0.000 0.791 393 L CB -0.558 41.495 42.059 -0.008 0.000 0.898 393 L HN 0.242 nan 8.230 nan 0.000 0.440 394 F N -0.034 119.925 119.950 0.014 0.000 2.293 394 F HA -0.133 4.395 4.527 0.001 0.000 0.300 394 F C 2.210 178.053 175.800 0.071 0.000 1.086 394 F CA 1.639 59.717 58.000 0.131 0.000 1.375 394 F CB -0.153 38.982 39.000 0.225 0.000 1.045 394 F HN 0.264 nan 8.300 nan 0.000 0.516 395 E N 0.050 120.304 120.200 0.090 0.000 2.046 395 E HA -0.178 4.173 4.350 0.001 0.000 0.190 395 E C 2.012 178.562 176.600 -0.083 0.000 0.982 395 E CA 1.330 57.710 56.400 -0.033 0.000 0.800 395 E CB -0.329 29.360 29.700 -0.018 0.000 0.756 395 E HN 0.524 nan 8.360 nan 0.000 0.449 396 E N 0.396 120.559 120.200 -0.062 0.000 2.209 396 E HA -0.184 4.166 4.350 0.001 0.000 0.196 396 E C 1.745 178.317 176.600 -0.046 0.000 0.993 396 E CA 0.649 57.014 56.400 -0.058 0.000 0.819 396 E CB 0.079 29.739 29.700 -0.067 0.000 0.745 396 E HN 0.112 nan 8.360 nan 0.000 0.477 397 L N -0.138 121.060 121.223 -0.042 0.000 2.354 397 L HA 0.127 4.467 4.340 0.001 0.000 0.212 397 L C 2.075 178.952 176.870 0.010 0.000 1.091 397 L CA 0.886 55.718 54.840 -0.014 0.000 0.828 397 L CB -0.500 41.584 42.059 0.041 0.000 0.973 397 L HN -0.034 nan 8.230 nan 0.000 0.461 398 A N -0.542 122.190 122.820 -0.146 0.000 1.897 398 A HA -0.145 4.176 4.320 0.001 0.000 0.215 398 A C 2.346 179.867 177.584 -0.104 0.000 1.181 398 A CA 0.987 52.887 52.037 -0.228 0.000 0.620 398 A CB -0.320 18.400 19.000 -0.468 0.000 0.821 398 A HN 0.312 nan 8.150 nan 0.000 0.443 399 R N 0.133 120.583 120.500 -0.083 0.000 2.091 399 R HA -0.145 4.196 4.340 0.001 0.000 0.238 399 R C 2.642 178.939 176.300 -0.004 0.000 1.136 399 R CA 1.733 57.807 56.100 -0.042 0.000 0.959 399 R CB -0.663 29.617 30.300 -0.033 0.000 0.856 399 R HN 0.680 nan 8.270 nan 0.000 0.437 400 S N 0.816 116.520 115.700 0.007 0.000 2.368 400 S HA -0.094 4.376 4.470 0.001 0.000 0.224 400 S C 1.825 176.486 174.600 0.102 0.000 1.029 400 S CA 1.534 59.762 58.200 0.046 0.000 0.988 400 S CB -0.104 63.119 63.200 0.038 0.000 0.838 400 S HN 0.324 nan 8.310 nan 0.000 0.462 401 S N 1.992 117.724 115.700 0.053 0.000 2.603 401 S HA 0.068 4.539 4.470 0.001 0.000 0.220 401 S C 1.832 176.386 174.600 -0.077 0.000 0.967 401 S CA 0.574 58.762 58.200 -0.020 0.000 0.920 401 S CB -0.426 62.807 63.200 0.054 0.000 0.773 401 S HN 0.813 nan 8.310 nan 0.000 0.529 402 S N 2.912 118.610 115.700 -0.002 0.000 2.441 402 S HA -0.322 4.149 4.470 0.001 0.000 0.242 402 S C 1.687 176.293 174.600 0.010 0.000 1.018 402 S CA 1.639 59.832 58.200 -0.012 0.000 0.988 402 S CB -0.966 62.235 63.200 0.001 0.000 0.778 402 S HN 0.951 nan 8.310 nan 0.000 0.498 403 H N 0.714 119.776 119.070 -0.013 0.000 2.470 403 H HA 0.341 4.898 4.556 0.001 0.000 0.289 403 H C 1.109 176.430 175.328 -0.012 0.000 1.033 403 H CA 0.778 56.819 56.048 -0.012 0.000 1.331 403 H CB -0.573 29.184 29.762 -0.009 0.000 1.414 403 H HN 0.379 nan 8.280 nan 0.000 0.545 404 S N 0.029 115.470 115.700 -0.432 0.000 2.537 404 S HA 0.195 4.666 4.470 0.001 0.000 0.275 404 S C 0.227 174.735 174.600 -0.154 0.000 1.272 404 S CA -0.387 57.623 58.200 -0.316 0.000 1.050 404 S CB 0.808 63.786 63.200 -0.370 0.000 0.961 404 S HN 0.489 nan 8.310 nan 0.000 0.496 405 T N 3.856 118.345 114.554 -0.109 0.000 3.331 405 T HA 0.206 4.556 4.350 0.001 0.000 0.282 405 T C -0.299 174.344 174.700 -0.095 0.000 1.010 405 T CA -0.458 61.591 62.100 -0.085 0.000 0.928 405 T CB -0.251 68.583 68.868 -0.056 0.000 1.154 405 T HN 0.664 nan 8.240 nan 0.000 0.516 406 D N 0.605 120.937 120.400 -0.113 0.000 2.378 406 D HA 0.181 4.822 4.640 0.001 0.000 0.238 406 D C 1.139 177.333 176.300 -0.177 0.000 1.180 406 D CA -0.104 53.811 54.000 -0.141 0.000 0.895 406 D CB 0.790 41.510 40.800 -0.134 0.000 1.192 406 D HN 0.004 nan 8.370 nan 0.000 0.438 407 L N 1.589 122.641 121.223 -0.286 0.000 2.127 407 L HA 0.077 4.418 4.340 0.001 0.000 0.203 407 L C 2.338 178.978 176.870 -0.383 0.000 1.080 407 L CA 0.768 55.399 54.840 -0.348 0.000 0.768 407 L CB -0.252 41.520 42.059 -0.477 0.000 0.924 407 L HN 0.573 nan 8.230 nan 0.000 0.444 408 M N -0.777 118.509 119.600 -0.523 0.000 2.229 408 M HA -0.215 4.266 4.480 0.001 0.000 0.264 408 M C 2.169 178.418 176.300 -0.084 0.000 1.063 408 M CA 1.476 56.614 55.300 -0.270 0.000 1.114 408 M CB 0.056 32.532 32.600 -0.207 0.000 1.387 408 M HN 0.233 nan 8.290 nan 0.000 0.420 409 E N 0.026 120.174 120.200 -0.086 0.000 2.049 409 E HA -0.243 4.108 4.350 0.001 0.000 0.198 409 E C 1.812 178.366 176.600 -0.076 0.000 1.007 409 E CA 1.654 58.052 56.400 -0.002 0.000 0.809 409 E CB -0.099 29.590 29.700 -0.019 0.000 0.749 409 E HN 0.603 nan 8.360 nan 0.000 0.450 410 A N 0.513 123.273 122.820 -0.100 0.000 1.873 410 A HA -0.254 4.067 4.320 0.001 0.000 0.218 410 A C 2.126 179.672 177.584 -0.062 0.000 1.193 410 A CA 2.049 54.029 52.037 -0.095 0.000 0.629 410 A CB -0.607 18.351 19.000 -0.070 0.000 0.826 410 A HN 0.335 nan 8.150 nan 0.000 0.447 411 M N -0.288 119.300 119.600 -0.020 0.000 2.279 411 M HA -0.002 4.479 4.480 0.001 0.000 0.264 411 M C 2.109 178.422 176.300 0.021 0.000 1.062 411 M CA 1.315 56.632 55.300 0.028 0.000 1.099 411 M CB -0.603 32.059 32.600 0.103 0.000 1.394 411 M HN 0.443 nan 8.290 nan 0.000 0.426 412 A N -0.733 122.100 122.820 0.022 0.000 1.872 412 A HA -0.130 4.191 4.320 0.001 0.000 0.214 412 A C 2.186 179.775 177.584 0.007 0.000 1.187 412 A CA 1.574 53.651 52.037 0.067 0.000 0.614 412 A CB -0.567 18.548 19.000 0.192 0.000 0.826 412 A HN 0.490 nan 8.150 nan 0.000 0.442 413 M N -0.305 119.212 119.600 -0.140 0.000 2.089 413 M HA -0.191 4.290 4.480 0.001 0.000 0.257 413 M C 2.271 178.579 176.300 0.013 0.000 1.071 413 M CA 1.703 56.902 55.300 -0.169 0.000 1.096 413 M CB -0.665 31.716 32.600 -0.364 0.000 1.330 413 M HN 0.546 nan 8.290 nan 0.000 0.403 414 G N -0.349 108.430 108.800 -0.034 0.000 2.480 414 G HA2 -0.249 3.712 3.960 0.001 0.000 0.216 414 G HA3 -0.249 3.712 3.960 0.001 0.000 0.216 414 G C 1.489 176.338 174.900 -0.085 0.000 1.200 414 G CA 1.360 46.436 45.100 -0.040 0.000 0.782 414 G HN 0.545 nan 8.290 nan 0.000 0.554 415 S N 0.508 116.164 115.700 -0.073 0.000 2.365 415 S HA -0.175 4.296 4.470 0.001 0.000 0.225 415 S C 2.375 176.848 174.600 -0.210 0.000 1.039 415 S CA 1.467 59.606 58.200 -0.103 0.000 1.033 415 S CB -0.707 62.463 63.200 -0.051 0.000 0.887 415 S HN 0.166 nan 8.310 nan 0.000 0.447 416 V N 2.211 121.986 119.914 -0.232 0.000 2.287 416 V HA -0.214 3.907 4.120 0.001 0.000 0.248 416 V C 2.726 178.232 176.094 -0.980 0.000 1.053 416 V CA 2.252 64.243 62.300 -0.514 0.000 1.027 416 V CB -0.892 30.731 31.823 -0.333 0.000 0.646 416 V HN 0.476 nan 8.190 nan 0.000 0.447 417 E N 0.967 120.728 120.200 -0.731 0.000 2.049 417 E HA -0.234 4.116 4.350 0.001 0.000 0.198 417 E C 2.079 178.486 176.600 -0.320 0.000 1.007 417 E CA 1.902 57.976 56.400 -0.544 0.000 0.809 417 E CB -0.540 29.038 29.700 -0.203 0.000 0.749 417 E HN 0.520 nan 8.360 nan 0.000 0.450 418 A N 0.031 122.705 122.820 -0.244 0.000 2.121 418 A HA -0.129 4.192 4.320 0.001 0.000 0.218 418 A C 2.243 179.727 177.584 -0.166 0.000 1.154 418 A CA 1.746 53.693 52.037 -0.151 0.000 0.679 418 A CB -0.716 18.220 19.000 -0.108 0.000 0.795 418 A HN 0.409 nan 8.150 nan 0.000 0.458 419 S N -1.995 113.533 115.700 -0.286 0.000 2.496 419 S HA -0.011 4.459 4.470 0.001 0.000 0.224 419 S C 1.608 176.146 174.600 -0.104 0.000 0.996 419 S CA 0.540 58.605 58.200 -0.224 0.000 0.927 419 S CB -0.524 62.516 63.200 -0.267 0.000 0.774 419 S HN 0.493 nan 8.310 nan 0.000 0.524 420 Y N 1.868 122.076 120.300 -0.152 0.000 2.314 420 Y HA 0.362 4.912 4.550 0.001 0.000 0.294 420 Y C 2.432 178.277 175.900 -0.092 0.000 1.119 420 Y CA 0.110 58.125 58.100 -0.142 0.000 1.179 420 Y CB -0.670 37.673 38.460 -0.195 0.000 1.025 420 Y HN 0.264 nan 8.280 nan 0.000 0.541 421 K N 0.537 120.983 120.400 0.077 0.000 2.007 421 K HA -0.111 4.210 4.320 0.001 0.000 0.206 421 K C 1.938 178.545 176.600 0.012 0.000 1.047 421 K CA 1.692 57.997 56.287 0.031 0.000 0.937 421 K CB -0.445 32.058 32.500 0.005 0.000 0.718 421 K HN 0.379 nan 8.250 nan 0.000 0.438 422 C N 0.630 119.926 119.300 -0.007 0.000 2.693 422 C HA 0.452 4.913 4.460 0.001 0.000 0.286 422 C C 0.294 175.277 174.990 -0.012 0.000 1.277 422 C CA -0.890 58.119 59.018 -0.014 0.000 1.705 422 C CB -1.574 26.149 27.740 -0.027 0.000 1.879 422 C HN 0.509 nan 8.230 nan 0.000 0.607 423 L N 0.823 122.047 121.223 0.002 0.000 3.895 423 L HA -0.235 4.105 4.340 0.001 0.000 0.511 423 L C 1.160 178.022 176.870 -0.012 0.000 1.222 423 L CA 0.378 55.222 54.840 0.006 0.000 0.739 423 L CB -2.262 39.804 42.059 0.011 0.000 1.425 423 L HN 0.715 nan 8.230 nan 0.000 0.817 424 A N 0.800 123.600 122.820 -0.033 0.000 2.475 424 A HA 0.501 4.822 4.320 0.001 0.000 0.239 424 A C 1.338 178.904 177.584 -0.029 0.000 1.087 424 A CA 0.769 52.775 52.037 -0.051 0.000 0.779 424 A CB 0.468 19.421 19.000 -0.078 0.000 1.036 424 A HN 0.766 nan 8.150 nan 0.000 0.506 425 A N 0.002 122.801 122.820 -0.036 0.000 1.997 425 A HA 0.593 4.914 4.320 0.001 0.000 0.212 425 A C 1.005 178.648 177.584 0.099 0.000 1.178 425 A CA 1.607 53.676 52.037 0.053 0.000 0.698 425 A CB -0.330 18.717 19.000 0.079 0.000 0.842 425 A HN 2.477 nan 8.150 nan 0.000 0.458 426 A N -1.816 121.002 122.820 -0.003 0.000 2.544 426 A HA 0.599 4.920 4.320 0.001 0.000 0.291 426 A C -1.934 175.632 177.584 -0.031 0.000 1.055 426 A CA -0.566 51.495 52.037 0.039 0.000 0.651 426 A CB 0.076 19.227 19.000 0.252 0.000 1.296 426 A HN 0.317 nan 8.150 nan 0.000 0.431 427 L N 0.775 122.006 121.223 0.013 0.000 2.325 427 L HA 0.628 4.969 4.340 0.001 0.000 0.281 427 L C -0.893 176.002 176.870 0.043 0.000 1.004 427 L CA -0.133 54.708 54.840 0.001 0.000 0.823 427 L CB 1.580 43.639 42.059 -0.001 0.000 1.236 427 L HN 0.562 nan 8.230 nan 0.000 0.415 428 I N 4.230 124.812 120.570 0.020 0.000 2.354 428 I HA 0.352 4.523 4.170 0.001 0.000 0.286 428 I C -0.743 175.389 176.117 0.026 0.000 1.007 428 I CA -0.614 60.712 61.300 0.043 0.000 1.167 428 I CB 1.612 39.625 38.000 0.021 0.000 1.320 428 I HN 0.192 nan 8.210 nan 0.000 0.458 429 V N 7.576 127.515 119.914 0.040 0.000 2.350 429 V HA 0.315 4.435 4.120 0.001 0.000 0.285 429 V C -0.208 175.895 176.094 0.014 0.000 1.014 429 V CA -0.595 61.720 62.300 0.026 0.000 0.831 429 V CB 1.507 33.349 31.823 0.032 0.000 1.000 429 V HN 0.390 nan 8.190 nan 0.000 0.433 430 L N 4.961 126.181 121.223 -0.006 0.000 2.268 430 L HA 0.548 4.889 4.340 0.001 0.000 0.289 430 L C 0.519 177.382 176.870 -0.010 0.000 1.064 430 L CA 1.069 55.896 54.840 -0.022 0.000 0.824 430 L CB 1.105 43.123 42.059 -0.068 0.000 1.202 430 L HN 0.753 nan 8.230 nan 0.000 0.433 431 T N 1.121 115.667 114.554 -0.012 0.000 2.883 431 T HA 0.541 4.892 4.350 0.001 0.000 0.284 431 T C 0.446 175.138 174.700 -0.012 0.000 1.041 431 T CA -0.275 61.814 62.100 -0.018 0.000 1.007 431 T CB 1.450 70.281 68.868 -0.061 0.000 1.220 431 T HN 0.620 nan 8.240 nan 0.000 0.552 432 E N -0.176 120.014 120.200 -0.016 0.000 3.454 432 E HA 0.110 4.461 4.350 0.001 0.000 0.208 432 E C 1.819 178.406 176.600 -0.021 0.000 1.153 432 E CA 0.209 56.609 56.400 -0.000 0.000 1.553 432 E CB -0.495 29.224 29.700 0.030 0.000 1.423 432 E HN 0.461 nan 8.360 nan 0.000 0.662 433 S N -0.234 115.443 115.700 -0.037 0.000 2.423 433 S HA -0.032 4.439 4.470 0.001 0.000 0.231 433 S C 1.554 176.054 174.600 -0.167 0.000 1.014 433 S CA 1.773 59.936 58.200 -0.061 0.000 0.965 433 S CB -0.223 62.944 63.200 -0.054 0.000 0.785 433 S HN 0.519 nan 8.310 nan 0.000 0.495 434 G N 0.633 109.291 108.800 -0.236 0.000 2.184 434 G HA2 -0.334 3.626 3.960 0.001 0.000 0.264 434 G HA3 -0.334 3.626 3.960 0.001 0.000 0.264 434 G C 0.877 175.149 174.900 -1.047 0.000 0.975 434 G CA 0.841 45.668 45.100 -0.455 0.000 0.642 434 G HN 0.505 nan 8.290 nan 0.000 0.536 435 R N 1.175 121.274 120.500 -0.669 0.000 2.070 435 R HA 0.022 4.363 4.340 0.001 0.000 0.233 435 R C 3.020 179.164 176.300 -0.261 0.000 1.137 435 R CA 2.306 58.110 56.100 -0.493 0.000 0.945 435 R CB -0.574 29.629 30.300 -0.162 0.000 0.845 435 R HN 0.501 nan 8.270 nan 0.000 0.430 436 S N 0.486 116.105 115.700 -0.135 0.000 2.372 436 S HA -0.263 4.208 4.470 0.001 0.000 0.227 436 S C 2.114 176.701 174.600 -0.022 0.000 1.044 436 S CA 1.430 59.620 58.200 -0.016 0.000 1.050 436 S CB -0.601 62.627 63.200 0.047 0.000 0.901 436 S HN 0.509 nan 8.310 nan 0.000 0.447 437 A N 1.631 124.405 122.820 -0.076 0.000 1.969 437 A HA -0.098 4.222 4.320 0.001 0.000 0.218 437 A C 1.908 179.519 177.584 0.045 0.000 1.169 437 A CA 1.361 53.395 52.037 -0.005 0.000 0.635 437 A CB -0.795 18.209 19.000 0.008 0.000 0.810 437 A HN 0.487 nan 8.150 nan 0.000 0.445 438 H N -0.783 118.167 119.070 -0.199 0.000 2.353 438 H HA -0.113 4.444 4.556 0.001 0.000 0.300 438 H C 2.089 177.336 175.328 -0.134 0.000 1.090 438 H CA 1.865 57.693 56.048 -0.366 0.000 1.327 438 H CB -0.390 29.060 29.762 -0.521 0.000 1.383 438 H HN 0.574 nan 8.280 nan 0.000 0.508 439 Q N 0.046 119.897 119.800 0.085 0.000 2.224 439 Q HA -0.047 4.294 4.340 0.001 0.000 0.203 439 Q C 2.066 178.155 176.000 0.149 0.000 0.970 439 Q CA 0.745 56.604 55.803 0.094 0.000 0.865 439 Q CB 0.163 28.946 28.738 0.076 0.000 0.922 439 Q HN 0.238 nan 8.270 nan 0.000 0.445 440 V N -0.590 119.403 119.914 0.133 0.000 2.825 440 V HA 0.038 4.159 4.120 0.001 0.000 0.246 440 V C 1.909 178.102 176.094 0.165 0.000 1.068 440 V CA 1.110 63.511 62.300 0.169 0.000 1.088 440 V CB -0.286 31.602 31.823 0.109 0.000 0.733 440 V HN 0.401 nan 8.190 nan 0.000 0.468 441 A N 0.598 123.496 122.820 0.130 0.000 2.015 441 A HA -0.216 4.105 4.320 0.001 0.000 0.219 441 A C 2.307 179.958 177.584 0.111 0.000 1.163 441 A CA 1.748 53.865 52.037 0.135 0.000 0.646 441 A CB -0.557 18.537 19.000 0.156 0.000 0.806 441 A HN 0.495 nan 8.150 nan 0.000 0.448 442 R N -1.682 118.851 120.500 0.054 0.000 2.200 442 R HA -0.165 4.176 4.340 0.001 0.000 0.234 442 R C 0.512 176.631 176.300 -0.302 0.000 1.127 442 R CA 1.504 57.530 56.100 -0.123 0.000 0.989 442 R CB -0.338 29.813 30.300 -0.249 0.000 0.869 442 R HN 0.559 nan 8.270 nan 0.000 0.459 443 Y N 0.318 120.703 120.300 0.142 0.000 2.495 443 Y HA 0.243 4.794 4.550 0.001 0.000 0.293 443 Y C 0.041 176.118 175.900 0.295 0.000 1.186 443 Y CA -0.425 57.809 58.100 0.225 0.000 1.266 443 Y CB 0.195 38.835 38.460 0.300 0.000 1.101 443 Y HN -0.097 nan 8.280 nan 0.000 0.517 444 R N 0.536 121.201 120.500 0.275 0.000 2.955 444 R HA -0.191 4.150 4.340 0.001 0.000 0.239 444 R C -2.776 173.734 176.300 0.350 0.000 0.848 444 R CA -0.159 56.113 56.100 0.287 0.000 0.586 444 R CB -1.714 28.743 30.300 0.263 0.000 1.098 444 R HN 0.240 nan 8.270 nan 0.000 0.499 445 P HA 0.013 nan 4.420 nan 0.000 0.272 445 P C 0.156 177.510 177.300 0.090 0.000 1.254 445 P CA -0.155 62.985 63.100 0.068 0.000 0.795 445 P CB 0.552 32.227 31.700 -0.041 0.000 1.022 446 R N -0.303 120.181 120.500 -0.027 0.000 2.365 446 R HA 0.414 4.755 4.340 0.001 0.000 0.223 446 R C 0.156 176.390 176.300 -0.109 0.000 0.899 446 R CA -0.001 55.937 56.100 -0.270 0.000 1.059 446 R CB 0.148 30.127 30.300 -0.537 0.000 1.086 446 R HN 0.481 nan 8.270 nan 0.000 0.522 447 A N 1.721 124.502 122.820 -0.064 0.000 2.311 447 A HA 0.662 4.982 4.320 0.001 0.000 0.334 447 A C -2.565 174.990 177.584 -0.048 0.000 1.139 447 A CA -2.166 49.835 52.037 -0.060 0.000 0.830 447 A CB 0.804 19.775 19.000 -0.048 0.000 1.234 447 A HN 0.135 nan 8.150 nan 0.000 0.483 448 P HA 0.298 nan 4.420 nan 0.000 0.269 448 P C -0.886 176.437 177.300 0.038 0.000 1.215 448 P CA 0.298 63.350 63.100 -0.080 0.000 0.780 448 P CB 0.402 31.917 31.700 -0.308 0.000 0.898 449 I N 2.907 123.541 120.570 0.107 0.000 2.382 449 I HA 0.321 4.492 4.170 0.001 0.000 0.286 449 I C 0.290 176.540 176.117 0.222 0.000 1.002 449 I CA -0.619 60.764 61.300 0.139 0.000 1.135 449 I CB 1.056 39.131 38.000 0.125 0.000 1.288 449 I HN 0.102 nan 8.210 nan 0.000 0.448 450 I N 6.253 126.957 120.570 0.222 0.000 2.282 450 I HA 0.328 4.499 4.170 0.001 0.000 0.290 450 I C 0.576 176.803 176.117 0.182 0.000 1.090 450 I CA -0.200 61.269 61.300 0.281 0.000 1.231 450 I CB 1.002 39.179 38.000 0.296 0.000 1.434 450 I HN 0.561 nan 8.210 nan 0.000 0.487 451 A N 6.784 129.697 122.820 0.156 0.000 2.301 451 A HA 0.625 4.946 4.320 0.001 0.000 0.298 451 A C -0.238 177.379 177.584 0.056 0.000 1.185 451 A CA -0.369 51.714 52.037 0.077 0.000 0.830 451 A CB 0.929 19.952 19.000 0.038 0.000 1.112 451 A HN 0.455 nan 8.150 nan 0.000 0.508 452 V N 3.032 122.965 119.914 0.032 0.000 2.304 452 V HA 0.440 4.561 4.120 0.001 0.000 0.278 452 V C 0.370 176.459 176.094 -0.008 0.000 1.018 452 V CA -0.232 62.078 62.300 0.016 0.000 0.814 452 V CB 0.813 32.645 31.823 0.015 0.000 1.021 452 V HN 0.966 nan 8.190 nan 0.000 0.440 453 T N 3.743 118.286 114.554 -0.018 0.000 2.940 453 T HA 0.488 4.839 4.350 0.001 0.000 0.288 453 T C 0.824 175.509 174.700 -0.024 0.000 1.033 453 T CA -0.531 61.557 62.100 -0.020 0.000 1.033 453 T CB 1.606 70.458 68.868 -0.027 0.000 1.079 453 T HN 0.647 nan 8.240 nan 0.000 0.496 454 R N 1.354 121.856 120.500 0.003 0.000 2.365 454 R HA 0.233 4.574 4.340 0.001 0.000 0.223 454 R C 0.340 176.683 176.300 0.072 0.000 0.899 454 R CA -0.279 55.836 56.100 0.024 0.000 1.059 454 R CB 0.270 30.596 30.300 0.043 0.000 1.086 454 R HN 0.388 nan 8.270 nan 0.000 0.522 455 N N 0.761 119.496 118.700 0.058 0.000 2.455 455 N HA 0.035 4.776 4.740 0.001 0.000 0.280 455 N C 0.352 175.926 175.510 0.107 0.000 1.055 455 N CA 0.224 53.336 53.050 0.104 0.000 0.961 455 N CB 0.807 39.331 38.487 0.063 0.000 1.121 455 N HN 0.183 nan 8.380 nan 0.000 0.476 456 H N 2.098 121.185 119.070 0.029 0.000 2.329 456 H HA -0.031 4.526 4.556 0.002 0.000 0.306 456 H C 1.077 176.422 175.328 0.030 0.000 1.062 456 H CA 0.715 56.786 56.048 0.040 0.000 1.364 456 H CB 0.437 30.230 29.762 0.050 0.000 1.409 456 H HN 0.659 nan 8.280 nan 0.000 0.519 457 Q N 0.444 120.343 119.800 0.165 0.000 2.133 457 Q HA -0.179 4.161 4.340 0.001 0.000 0.208 457 Q C 2.145 178.189 176.000 0.073 0.000 0.991 457 Q CA 2.262 58.123 55.803 0.096 0.000 0.867 457 Q CB 0.025 28.804 28.738 0.069 0.000 0.911 457 Q HN 0.320 nan 8.270 nan 0.000 0.417 458 T N 0.090 114.682 114.554 0.064 0.000 2.684 458 T HA -0.209 4.141 4.350 0.001 0.000 0.267 458 T C 1.614 176.320 174.700 0.011 0.000 1.036 458 T CA 1.378 63.505 62.100 0.044 0.000 1.148 458 T CB -0.327 68.554 68.868 0.022 0.000 0.863 458 T HN 0.489 nan 8.240 nan 0.000 0.436 459 A N 1.549 124.354 122.820 -0.025 0.000 1.841 459 A HA -0.078 4.243 4.320 0.001 0.000 0.214 459 A C 2.334 179.816 177.584 -0.171 0.000 1.195 459 A CA 1.436 53.407 52.037 -0.109 0.000 0.611 459 A CB -0.577 18.348 19.000 -0.125 0.000 0.835 459 A HN 0.406 nan 8.150 nan 0.000 0.443 460 R N -0.443 120.021 120.500 -0.059 0.000 2.119 460 R HA -0.208 4.133 4.340 0.001 0.000 0.246 460 R C 2.301 178.610 176.300 0.015 0.000 1.146 460 R CA 1.949 58.051 56.100 0.003 0.000 0.962 460 R CB -0.352 29.996 30.300 0.080 0.000 0.863 460 R HN 0.693 nan 8.270 nan 0.000 0.442 461 Q N -0.633 119.189 119.800 0.036 0.000 2.378 461 Q HA 0.062 4.403 4.340 0.001 0.000 0.205 461 Q C 1.882 177.968 176.000 0.144 0.000 0.954 461 Q CA 0.679 56.542 55.803 0.100 0.000 0.901 461 Q CB 0.265 29.085 28.738 0.135 0.000 0.981 461 Q HN 0.334 nan 8.270 nan 0.000 0.483 462 A N 0.305 123.156 122.820 0.051 0.000 2.125 462 A HA -0.189 4.132 4.320 0.001 0.000 0.219 462 A C 1.202 178.836 177.584 0.084 0.000 1.156 462 A CA 1.102 53.207 52.037 0.113 0.000 0.671 462 A CB -0.565 18.452 19.000 0.029 0.000 0.794 462 A HN 0.413 nan 8.150 nan 0.000 0.459 463 H N -1.368 117.770 119.070 0.113 0.000 2.387 463 H HA -0.099 4.458 4.556 0.001 0.000 0.299 463 H C 1.777 177.138 175.328 0.056 0.000 1.090 463 H CA 1.176 57.265 56.048 0.069 0.000 1.332 463 H CB -0.074 29.704 29.762 0.027 0.000 1.386 463 H HN 0.364 nan 8.280 nan 0.000 0.516 464 L N 0.300 121.602 121.223 0.131 0.000 2.270 464 L HA -0.199 4.142 4.340 0.001 0.000 0.217 464 L C -0.211 176.476 176.870 -0.304 0.000 1.107 464 L CA 1.425 56.210 54.840 -0.092 0.000 0.772 464 L CB -0.610 41.334 42.059 -0.192 0.000 0.902 464 L HN 0.232 nan 8.230 nan 0.000 0.439 465 Y N -0.546 119.751 120.300 -0.006 0.000 2.341 465 Y HA 0.382 4.933 4.550 0.001 0.000 0.340 465 Y C 0.864 176.788 175.900 0.039 0.000 0.997 465 Y CA -0.822 57.266 58.100 -0.020 0.000 1.149 465 Y CB 0.527 38.943 38.460 -0.072 0.000 1.171 465 Y HN -0.065 nan 8.280 nan 0.000 0.494 466 R N 1.500 122.082 120.500 0.138 0.000 2.537 466 R HA 0.382 4.723 4.340 0.001 0.000 0.280 466 R C 1.195 177.583 176.300 0.146 0.000 1.058 466 R CA 1.373 57.545 56.100 0.120 0.000 1.057 466 R CB -0.060 30.293 30.300 0.087 0.000 0.973 466 R HN 0.968 nan 8.270 nan 0.000 0.438 467 G N 4.244 113.127 108.800 0.139 0.000 2.383 467 G HA2 -0.275 3.685 3.960 0.001 0.000 0.229 467 G HA3 -0.275 3.685 3.960 0.001 0.000 0.229 467 G C 0.266 175.268 174.900 0.170 0.000 1.089 467 G CA 0.058 45.238 45.100 0.134 0.000 0.640 467 G HN 0.583 nan 8.290 nan 0.000 0.510 468 I N 1.035 121.719 120.570 0.189 0.000 2.668 468 I HA 0.339 4.509 4.170 0.001 0.000 0.285 468 I C 0.058 176.321 176.117 0.244 0.000 1.168 468 I CA 0.385 61.802 61.300 0.196 0.000 1.424 468 I CB 0.224 38.320 38.000 0.160 0.000 1.377 468 I HN 0.168 nan 8.210 nan 0.000 0.560 469 F N 9.562 129.581 119.950 0.114 0.000 2.453 469 F HA 0.479 5.007 4.527 0.002 0.000 0.358 469 F C -2.366 173.487 175.800 0.088 0.000 1.129 469 F CA -2.669 55.417 58.000 0.144 0.000 1.200 469 F CB 0.704 39.850 39.000 0.245 0.000 1.431 469 F HN 0.245 nan 8.300 nan 0.000 0.503 470 P HA 0.169 nan 4.420 nan 0.000 0.268 470 P C -0.910 176.250 177.300 -0.234 0.000 1.205 470 P CA 0.165 63.150 63.100 -0.192 0.000 0.771 470 P CB 1.591 33.106 31.700 -0.308 0.000 0.858 471 V N 3.100 122.974 119.914 -0.067 0.000 2.962 471 V HA 0.466 4.587 4.120 0.001 0.000 0.313 471 V C -0.129 175.950 176.094 -0.024 0.000 1.099 471 V CA -0.771 61.522 62.300 -0.012 0.000 0.971 471 V CB 2.692 34.573 31.823 0.098 0.000 1.028 471 V HN 0.213 nan 8.190 nan 0.000 0.430 472 V N 1.497 121.408 119.914 -0.005 0.000 2.588 472 V HA 0.351 4.472 4.120 0.001 0.000 0.304 472 V C -0.364 175.716 176.094 -0.024 0.000 1.042 472 V CA -0.583 61.683 62.300 -0.056 0.000 0.877 472 V CB 1.904 33.639 31.823 -0.148 0.000 0.996 472 V HN 1.017 nan 8.190 nan 0.000 0.425 473 C N 5.282 124.565 119.300 -0.029 0.000 2.349 473 C HA 0.317 4.778 4.460 0.001 0.000 0.348 473 C C 1.603 176.597 174.990 0.008 0.000 1.223 473 C CA -0.335 58.680 59.018 -0.004 0.000 1.746 473 C CB -0.590 27.150 27.740 0.000 0.000 2.360 473 C HN 0.977 nan 8.230 nan 0.000 0.533 474 K N 2.109 122.517 120.400 0.013 0.000 2.356 474 K HA 0.064 4.385 4.320 0.001 0.000 0.195 474 K C 0.273 176.887 176.600 0.024 0.000 1.037 474 K CA 0.183 56.487 56.287 0.028 0.000 1.014 474 K CB 0.174 32.681 32.500 0.011 0.000 0.815 474 K HN 0.730 nan 8.250 nan 0.000 0.507 475 D N 3.080 123.489 120.400 0.016 0.000 2.424 475 D HA 0.063 4.704 4.640 0.001 0.000 0.244 475 D C -2.220 174.090 176.300 0.017 0.000 1.134 475 D CA -0.981 53.026 54.000 0.012 0.000 0.881 475 D CB 1.063 41.867 40.800 0.006 0.000 1.191 475 D HN 0.000 nan 8.370 nan 0.000 0.445 476 P HA -0.008 nan 4.420 nan 0.000 0.271 476 P C -0.255 177.059 177.300 0.022 0.000 1.233 476 P CA -0.421 62.691 63.100 0.020 0.000 0.789 476 P CB 0.559 32.268 31.700 0.016 0.000 0.951 477 V N 1.971 121.904 119.914 0.031 0.000 2.470 477 V HA 0.046 4.167 4.120 0.001 0.000 0.276 477 V C 0.882 176.999 176.094 0.039 0.000 1.040 477 V CA 0.215 62.541 62.300 0.044 0.000 1.008 477 V CB -0.326 31.531 31.823 0.057 0.000 0.990 477 V HN 0.459 nan 8.190 nan 0.000 0.477 478 Q N 2.702 122.526 119.800 0.040 0.000 2.221 478 Q HA 0.215 4.556 4.340 0.001 0.000 0.242 478 Q C 1.152 177.182 176.000 0.050 0.000 0.940 478 Q CA -0.483 55.340 55.803 0.033 0.000 0.896 478 Q CB 1.501 30.250 28.738 0.019 0.000 1.226 478 Q HN 0.867 nan 8.270 nan 0.000 0.463 479 E N 0.614 120.835 120.200 0.035 0.000 2.033 479 E HA -0.172 4.179 4.350 0.001 0.000 0.199 479 E C 0.052 176.685 176.600 0.053 0.000 1.011 479 E CA 1.178 57.598 56.400 0.034 0.000 0.815 479 E CB -0.218 29.492 29.700 0.017 0.000 0.755 479 E HN 0.492 nan 8.360 nan 0.000 0.451 480 A N 1.059 123.910 122.820 0.051 0.000 2.354 480 A HA 0.050 4.370 4.320 0.001 0.000 0.281 480 A C 0.357 178.025 177.584 0.139 0.000 1.174 480 A CA -0.505 51.574 52.037 0.071 0.000 0.828 480 A CB -0.298 18.719 19.000 0.029 0.000 1.099 480 A HN 0.604 nan 8.150 nan 0.000 0.516 481 W N 2.971 124.221 121.300 -0.084 0.000 2.318 481 W HA -0.318 4.343 4.660 0.001 0.000 0.313 481 W C 1.913 178.372 176.519 -0.100 0.000 1.221 481 W CA 1.711 58.999 57.345 -0.094 0.000 1.266 481 W CB -0.024 29.354 29.460 -0.136 0.000 1.150 481 W HN 0.811 nan 8.180 nan 0.000 0.496 482 A N 0.809 123.659 122.820 0.050 0.000 1.927 482 A HA -0.316 4.004 4.320 0.001 0.000 0.220 482 A C 1.663 179.168 177.584 -0.132 0.000 1.185 482 A CA 2.446 54.416 52.037 -0.112 0.000 0.639 482 A CB -1.022 17.939 19.000 -0.066 0.000 0.820 482 A HN 0.578 nan 8.150 nan 0.000 0.451 483 E N -1.226 118.932 120.200 -0.070 0.000 2.170 483 E HA -0.098 4.253 4.350 0.001 0.000 0.191 483 E C 1.641 178.189 176.600 -0.087 0.000 0.981 483 E CA 0.650 57.011 56.400 -0.066 0.000 0.830 483 E CB -0.127 29.555 29.700 -0.031 0.000 0.775 483 E HN 0.589 nan 8.360 nan 0.000 0.470 484 D N 0.513 120.857 120.400 -0.094 0.000 2.117 484 D HA -0.120 4.521 4.640 0.001 0.000 0.198 484 D C 1.925 178.097 176.300 -0.213 0.000 0.982 484 D CA 0.678 54.610 54.000 -0.112 0.000 0.828 484 D CB 0.102 40.863 40.800 -0.064 0.000 0.967 484 D HN -0.054 nan 8.370 nan 0.000 0.464 485 V N 0.379 120.072 119.914 -0.370 0.000 2.343 485 V HA -0.225 3.896 4.120 0.001 0.000 0.247 485 V C 1.777 177.727 176.094 -0.241 0.000 1.051 485 V CA 2.072 64.112 62.300 -0.433 0.000 1.036 485 V CB -0.484 30.960 31.823 -0.632 0.000 0.654 485 V HN 0.131 nan 8.190 nan 0.000 0.451 486 D N -0.780 119.508 120.400 -0.187 0.000 2.312 486 D HA -0.098 4.542 4.640 0.001 0.000 0.211 486 D C 1.763 178.012 176.300 -0.085 0.000 0.964 486 D CA 0.414 54.343 54.000 -0.117 0.000 0.877 486 D CB 0.053 40.794 40.800 -0.099 0.000 0.924 486 D HN 0.287 nan 8.370 nan 0.000 0.515 487 L N 0.420 121.588 121.223 -0.091 0.000 2.044 487 L HA 0.010 4.351 4.340 0.001 0.000 0.205 487 L C 1.933 178.773 176.870 -0.050 0.000 1.075 487 L CA 1.615 56.420 54.840 -0.059 0.000 0.747 487 L CB -0.129 41.898 42.059 -0.054 0.000 0.903 487 L HN -0.157 nan 8.230 nan 0.000 0.435 488 R N -1.326 119.129 120.500 -0.074 0.000 2.062 488 R HA -0.078 4.263 4.340 0.001 0.000 0.229 488 R C 2.117 178.397 176.300 -0.034 0.000 1.128 488 R CA 1.422 57.490 56.100 -0.055 0.000 0.960 488 R CB -0.595 29.654 30.300 -0.085 0.000 0.855 488 R HN 0.255 nan 8.270 nan 0.000 0.432 489 V N 2.115 121.996 119.914 -0.057 0.000 2.231 489 V HA -0.352 3.769 4.120 0.001 0.000 0.248 489 V C 1.995 178.087 176.094 -0.002 0.000 1.054 489 V CA 1.955 64.233 62.300 -0.037 0.000 1.015 489 V CB -0.667 31.119 31.823 -0.062 0.000 0.638 489 V HN 0.406 nan 8.190 nan 0.000 0.444 490 N N -0.127 118.567 118.700 -0.010 0.000 2.060 490 N HA -0.218 4.523 4.740 0.001 0.000 0.195 490 N C 1.799 177.330 175.510 0.035 0.000 1.028 490 N CA 1.942 54.998 53.050 0.010 0.000 0.861 490 N CB -0.397 38.087 38.487 -0.004 0.000 1.029 490 N HN 0.385 nan 8.380 nan 0.000 0.428 491 L N 1.457 122.696 121.223 0.028 0.000 2.012 491 L HA -0.122 4.219 4.340 0.001 0.000 0.210 491 L C 2.295 179.210 176.870 0.075 0.000 1.073 491 L CA 1.883 56.749 54.840 0.043 0.000 0.748 491 L CB -1.090 40.988 42.059 0.031 0.000 0.891 491 L HN 0.128 nan 8.230 nan 0.000 0.431 492 A N -0.884 121.990 122.820 0.090 0.000 1.873 492 A HA -0.327 3.994 4.320 0.001 0.000 0.218 492 A C 2.332 180.050 177.584 0.222 0.000 1.193 492 A CA 2.583 54.710 52.037 0.150 0.000 0.629 492 A CB -0.780 18.301 19.000 0.135 0.000 0.826 492 A HN 0.525 nan 8.150 nan 0.000 0.447 493 M N 0.147 119.862 119.600 0.191 0.000 2.088 493 M HA -0.235 4.246 4.480 0.001 0.000 0.256 493 M C 1.717 178.159 176.300 0.238 0.000 1.071 493 M CA 2.394 57.845 55.300 0.251 0.000 1.097 493 M CB -0.875 31.792 32.600 0.112 0.000 1.315 493 M HN 0.624 nan 8.290 nan 0.000 0.406 494 N N -1.396 117.372 118.700 0.113 0.000 2.142 494 N HA -0.118 4.623 4.740 0.001 0.000 0.186 494 N C 1.462 176.964 175.510 -0.015 0.000 1.023 494 N CA 1.380 54.459 53.050 0.049 0.000 0.852 494 N CB -0.104 38.402 38.487 0.033 0.000 0.998 494 N HN 0.152 nan 8.380 nan 0.000 0.424 495 V N 0.445 120.356 119.914 -0.005 0.000 2.667 495 V HA -0.079 4.042 4.120 0.001 0.000 0.252 495 V C 2.259 178.164 176.094 -0.314 0.000 1.065 495 V CA 1.805 64.054 62.300 -0.085 0.000 1.083 495 V CB -0.902 30.936 31.823 0.025 0.000 0.692 495 V HN 0.427 nan 8.190 nan 0.000 0.468 496 G N -0.385 108.207 108.800 -0.347 0.000 2.394 496 G HA2 -0.219 3.742 3.960 0.001 0.000 0.215 496 G HA3 -0.219 3.742 3.960 0.001 0.000 0.215 496 G C 1.651 175.930 174.900 -1.034 0.000 1.165 496 G CA 0.644 45.144 45.100 -0.999 0.000 0.784 496 G HN 0.424 nan 8.290 nan 0.000 0.535 497 K N 0.393 120.421 120.400 -0.620 0.000 2.103 497 K HA 0.015 4.336 4.320 0.001 0.000 0.207 497 K C 2.836 179.283 176.600 -0.255 0.000 1.048 497 K CA 1.194 57.296 56.287 -0.310 0.000 0.930 497 K CB -0.175 32.283 32.500 -0.071 0.000 0.716 497 K HN 0.276 nan 8.250 nan 0.000 0.444 498 A N 0.733 123.401 122.820 -0.254 0.000 1.854 498 A HA -0.023 4.298 4.320 0.001 0.000 0.214 498 A C 2.286 179.708 177.584 -0.270 0.000 1.192 498 A CA 1.610 53.529 52.037 -0.196 0.000 0.611 498 A CB -0.770 18.144 19.000 -0.143 0.000 0.832 498 A HN 0.328 nan 8.150 nan 0.000 0.442 499 A N -1.676 120.863 122.820 -0.468 0.000 2.070 499 A HA 0.322 4.643 4.320 0.001 0.000 0.220 499 A C 1.914 179.201 177.584 -0.495 0.000 1.159 499 A CA 1.662 53.318 52.037 -0.635 0.000 0.656 499 A CB -1.020 17.176 19.000 -1.340 0.000 0.800 499 A HN 2.036 nan 8.150 nan 0.000 0.453 500 G N -2.563 105.974 108.800 -0.440 0.000 2.142 500 G HA2 -0.212 3.749 3.960 0.001 0.000 0.225 500 G HA3 -0.212 3.749 3.960 0.001 0.000 0.225 500 G C 0.343 175.243 174.900 0.000 0.000 1.015 500 G CA 0.289 45.281 45.100 -0.180 0.000 0.716 500 G HN 0.260 nan 8.290 nan 0.000 0.508 501 F N -0.102 119.569 119.950 -0.465 0.000 2.293 501 F HA 0.314 4.842 4.527 0.001 0.000 0.300 501 F C 1.342 177.047 175.800 -0.158 0.000 1.086 501 F CA 0.712 58.478 58.000 -0.390 0.000 1.375 501 F CB -0.446 38.172 39.000 -0.636 0.000 1.045 501 F HN 0.427 nan 8.300 nan 0.000 0.516 502 F N -2.954 117.087 119.950 0.152 0.000 2.688 502 F HA 0.513 5.040 4.527 0.001 0.000 0.308 502 F C -0.353 175.471 175.800 0.039 0.000 1.117 502 F CA -2.074 55.968 58.000 0.070 0.000 0.976 502 F CB 0.618 39.651 39.000 0.054 0.000 1.291 502 F HN -0.469 nan 8.300 nan 0.000 0.439 503 K N 1.303 121.866 120.400 0.271 0.000 2.863 503 K HA 0.245 4.566 4.320 0.001 0.000 0.304 503 K C 1.283 177.986 176.600 0.171 0.000 1.015 503 K CA -0.074 56.313 56.287 0.166 0.000 1.093 503 K CB 0.553 33.114 32.500 0.101 0.000 1.345 503 K HN 0.890 nan 8.250 nan 0.000 0.500 504 K N -0.637 119.821 120.400 0.097 0.000 2.025 504 K HA -0.052 4.269 4.320 0.001 0.000 0.207 504 K C 1.158 177.785 176.600 0.046 0.000 1.049 504 K CA 1.687 58.014 56.287 0.068 0.000 0.933 504 K CB -0.104 32.423 32.500 0.044 0.000 0.714 504 K HN 0.513 nan 8.250 nan 0.000 0.438 505 G N 1.339 110.160 108.800 0.036 0.000 4.331 505 G HA2 0.127 4.088 3.960 0.001 0.000 0.299 505 G HA3 0.127 4.088 3.960 0.001 0.000 0.299 505 G C -1.170 173.733 174.900 0.004 0.000 1.158 505 G CA -0.520 44.588 45.100 0.013 0.000 0.916 505 G HN 0.106 nan 8.290 nan 0.000 0.553 506 D N 0.166 120.573 120.400 0.010 0.000 2.358 506 D HA 0.410 5.050 4.640 0.001 0.000 0.244 506 D C 0.319 176.577 176.300 -0.071 0.000 1.163 506 D CA -0.068 53.928 54.000 -0.007 0.000 0.945 506 D CB 2.111 42.936 40.800 0.041 0.000 1.152 506 D HN -0.065 nan 8.370 nan 0.000 0.451 507 V N 0.858 120.727 119.914 -0.075 0.000 2.612 507 V HA 0.578 4.699 4.120 0.001 0.000 0.301 507 V C 0.015 176.015 176.094 -0.157 0.000 1.046 507 V CA -0.583 61.656 62.300 -0.103 0.000 0.946 507 V CB 2.018 33.801 31.823 -0.067 0.000 1.003 507 V HN 0.238 nan 8.190 nan 0.000 0.459 508 V N 4.887 124.691 119.914 -0.183 0.000 2.891 508 V HA 0.496 4.617 4.120 0.001 0.000 0.304 508 V C -0.918 175.087 176.094 -0.149 0.000 1.171 508 V CA -0.383 61.786 62.300 -0.218 0.000 0.943 508 V CB 2.279 33.851 31.823 -0.419 0.000 1.037 508 V HN 0.746 nan 8.190 nan 0.000 0.427 509 I N 5.379 125.879 120.570 -0.116 0.000 2.472 509 I HA 0.507 4.678 4.170 0.001 0.000 0.290 509 I C -0.303 175.773 176.117 -0.067 0.000 1.016 509 I CA -0.116 61.134 61.300 -0.083 0.000 1.348 509 I CB 1.674 39.628 38.000 -0.078 0.000 1.417 509 I HN 0.307 nan 8.210 nan 0.000 0.521 510 V N 7.157 127.041 119.914 -0.049 0.000 2.604 510 V HA 0.471 4.592 4.120 0.001 0.000 0.305 510 V C -0.517 175.569 176.094 -0.013 0.000 1.043 510 V CA -0.666 61.613 62.300 -0.035 0.000 0.888 510 V CB 1.811 33.609 31.823 -0.043 0.000 0.995 510 V HN 0.360 nan 8.190 nan 0.000 0.429 511 L N 4.811 126.033 121.223 -0.001 0.000 2.343 511 L HA 0.781 5.121 4.340 0.001 0.000 0.278 511 L C 0.327 177.206 176.870 0.014 0.000 0.996 511 L CA 0.373 55.224 54.840 0.019 0.000 0.831 511 L CB 2.039 44.119 42.059 0.035 0.000 1.232 511 L HN 1.002 nan 8.230 nan 0.000 0.413 512 T N -0.164 114.405 114.554 0.024 0.000 2.626 512 T HA 0.863 5.213 4.350 0.001 0.000 0.279 512 T C -0.123 174.616 174.700 0.066 0.000 0.983 512 T CA -0.428 61.677 62.100 0.009 0.000 1.059 512 T CB 1.467 70.310 68.868 -0.042 0.000 1.396 512 T HN 0.541 nan 8.240 nan 0.000 0.519 513 G N -1.047 107.825 108.800 0.120 0.000 2.420 513 G HA2 0.454 4.415 3.960 0.001 0.000 0.331 513 G HA3 0.454 4.415 3.960 0.001 0.000 0.331 513 G C 0.085 175.248 174.900 0.439 0.000 1.168 513 G CA -0.880 44.364 45.100 0.240 0.000 0.936 513 G HN 0.809 nan 8.290 nan 0.000 0.479 514 W N 1.622 123.004 121.300 0.137 0.000 2.409 514 W HA 0.094 4.755 4.660 0.001 0.000 0.299 514 W C 0.347 177.053 176.519 0.312 0.000 1.203 514 W CA 0.507 57.953 57.345 0.169 0.000 1.298 514 W CB 0.354 29.831 29.460 0.029 0.000 1.127 514 W HN 0.329 nan 8.180 nan 0.000 0.528 515 R N -0.601 120.023 120.500 0.206 0.000 2.774 515 R HA 0.306 4.647 4.340 0.001 0.000 0.272 515 R C -2.587 173.263 176.300 -0.750 0.000 1.000 515 R CA -2.029 53.811 56.100 -0.433 0.000 0.906 515 R CB 0.852 30.984 30.300 -0.279 0.000 1.227 515 R HN -0.287 nan 8.270 nan 0.000 0.468 516 P HA -0.016 nan 4.420 nan 0.000 0.269 516 P C 0.447 177.450 177.300 -0.495 0.000 1.217 516 P CA 0.481 62.822 63.100 -1.264 0.000 0.783 516 P CB 0.313 31.297 31.700 -1.194 0.000 0.898 517 G N 0.898 109.538 108.800 -0.267 0.000 2.295 517 G HA2 -0.285 3.676 3.960 0.001 0.000 0.287 517 G HA3 -0.285 3.676 3.960 0.001 0.000 0.287 517 G C 1.093 175.935 174.900 -0.097 0.000 1.055 517 G CA 0.451 45.472 45.100 -0.131 0.000 0.922 517 G HN 0.475 nan 8.290 nan 0.000 0.503 518 S N -1.220 114.433 115.700 -0.078 0.000 2.406 518 S HA 0.332 4.803 4.470 0.001 0.000 0.224 518 S C 2.477 177.032 174.600 -0.075 0.000 1.030 518 S CA 1.892 60.038 58.200 -0.090 0.000 0.958 518 S CB -0.194 62.957 63.200 -0.083 0.000 0.811 518 S HN 2.253 nan 8.310 nan 0.000 0.489 519 G N 0.811 109.618 108.800 0.011 0.000 2.299 519 G HA2 -0.244 3.717 3.960 0.001 0.000 0.237 519 G HA3 -0.244 3.717 3.960 0.001 0.000 0.237 519 G C 0.114 175.158 174.900 0.241 0.000 1.027 519 G CA 0.410 45.581 45.100 0.120 0.000 0.619 519 G HN 0.929 nan 8.290 nan 0.000 0.513 520 F N -1.422 118.558 119.950 0.050 0.000 2.719 520 F HA 0.657 5.184 4.527 0.001 0.000 0.309 520 F C -0.261 175.581 175.800 0.069 0.000 1.138 520 F CA -0.595 57.430 58.000 0.043 0.000 0.943 520 F CB 0.537 39.551 39.000 0.023 0.000 1.304 520 F HN 0.050 nan 8.300 nan 0.000 0.445 521 T N 2.706 117.355 114.554 0.159 0.000 2.933 521 T HA 0.115 4.466 4.350 0.001 0.000 0.263 521 T C 0.612 175.376 174.700 0.106 0.000 0.925 521 T CA 0.219 62.371 62.100 0.086 0.000 1.156 521 T CB -0.867 68.073 68.868 0.122 0.000 0.916 521 T HN 0.649 nan 8.240 nan 0.000 0.601 522 N N 0.577 119.189 118.700 -0.147 0.000 2.236 522 N HA 0.029 4.770 4.740 0.001 0.000 0.196 522 N C -0.105 175.409 175.510 0.006 0.000 1.114 522 N CA -0.400 52.607 53.050 -0.071 0.000 0.859 522 N CB 0.446 38.708 38.487 -0.375 0.000 0.982 522 N HN 0.272 nan 8.380 nan 0.000 0.493 523 T N 0.965 115.547 114.554 0.048 0.000 2.786 523 T HA 0.368 4.718 4.350 0.001 0.000 0.283 523 T C -0.739 173.998 174.700 0.062 0.000 0.992 523 T CA -0.573 61.573 62.100 0.077 0.000 0.954 523 T CB 1.543 70.545 68.868 0.223 0.000 0.934 523 T HN 0.071 nan 8.240 nan 0.000 0.440 524 M N 3.361 122.982 119.600 0.035 0.000 2.528 524 M HA 0.609 5.089 4.480 0.001 0.000 0.321 524 M C -1.025 175.283 176.300 0.012 0.000 1.153 524 M CA -0.611 54.701 55.300 0.019 0.000 0.951 524 M CB 1.864 34.467 32.600 0.005 0.000 1.705 524 M HN 0.604 nan 8.290 nan 0.000 0.451 525 R N 1.508 122.007 120.500 -0.001 0.000 2.739 525 R HA 0.626 4.967 4.340 0.001 0.000 0.271 525 R C -1.663 174.619 176.300 -0.029 0.000 1.010 525 R CA -0.879 55.217 56.100 -0.007 0.000 0.897 525 R CB 2.550 32.850 30.300 0.001 0.000 1.236 525 R HN 0.480 nan 8.270 nan 0.000 0.466 526 V N 2.538 122.433 119.914 -0.031 0.000 2.250 526 V HA 0.295 4.415 4.120 0.001 0.000 0.268 526 V C -0.664 175.403 176.094 -0.046 0.000 1.043 526 V CA -0.650 61.624 62.300 -0.045 0.000 0.814 526 V CB 1.300 33.098 31.823 -0.041 0.000 1.072 526 V HN 0.393 nan 8.190 nan 0.000 0.451 527 V N 6.612 126.490 119.914 -0.061 0.000 2.384 527 V HA 0.457 4.578 4.120 0.001 0.000 0.287 527 V C -2.092 173.951 176.094 -0.086 0.000 1.020 527 V CA -2.009 60.253 62.300 -0.063 0.000 0.850 527 V CB 1.970 33.756 31.823 -0.063 0.000 0.987 527 V HN 0.567 nan 8.190 nan 0.000 0.436 528 P HA 0.139 nan 4.420 nan 0.000 0.271 528 P C -0.358 176.892 177.300 -0.084 0.000 1.233 528 P CA -0.119 62.938 63.100 -0.072 0.000 0.789 528 P CB 0.583 32.258 31.700 -0.042 0.000 0.951 529 V N 3.711 123.571 119.914 -0.089 0.000 2.488 529 V HA 0.162 4.283 4.120 0.001 0.000 0.277 529 V C -1.607 174.482 176.094 -0.009 0.000 1.046 529 V CA -1.242 61.017 62.300 -0.068 0.000 0.986 529 V CB 0.210 32.008 31.823 -0.040 0.000 0.989 529 V HN 0.616 nan 8.190 nan 0.000 0.475 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.107 63.100 0.012 0.000 0.800 530 P CB 0.000 31.707 31.700 0.012 0.000 0.726