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 2now_1_A DATA FIRST_RESID 2 DATA SEQUENCE PAVADKADNA FMMICTALVL FMTIPGIALF YGGLIRGKNV LSMLTQVTVT DATA SEQUENCE FALVCILWVV YGYSLAFGEG NNFFGNINWL MLKNIELTAV MGSIYQYIHV DATA SEQUENCE AFQGSFACIT VGLIVGALAE RIRFSAVLIF VVVWLTLSYI PIAHMVWGGG DATA SEQUENCE LLASHGALDF AGGTVVEINA AIAGLVGAYL IXXXXXXXXX XXXPHNLPMV DATA SEQUENCE FTGTAILYIG WFGFNAGSAG TANEIAALAF VNTVVATAAA ILGWIFGEWA DATA SEQUENCE LRGKPSLLGA CSGAIAGLVG VTPACGYIGV GGALIIGVVA GLAGLWGVTM DATA SEQUENCE LKXXXXXDDP CDVFGVHGVC GIVGCIMTGI FAASSLGGVG FAEGVTMGHQ DATA SEQUENCE LLVQLESIAI TIVWSGVVAF IGYKLADLTV GLRVP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.295 177.300 -0.008 0.000 1.155 2 P CA 0.000 63.102 63.100 0.003 0.000 0.800 2 P CB 0.000 31.707 31.700 0.011 0.000 0.726 3 A N 0.486 123.298 122.820 -0.015 0.000 2.567 3 A HA 0.425 4.746 4.320 0.001 0.000 0.240 3 A C 0.309 177.862 177.584 -0.052 0.000 1.053 3 A CA 0.201 52.217 52.037 -0.035 0.000 0.755 3 A CB 0.009 18.985 19.000 -0.040 0.000 0.978 3 A HN 0.629 nan 8.150 nan 0.000 0.507 4 V N 3.023 122.896 119.914 -0.069 0.000 2.547 4 V HA 0.681 4.802 4.120 0.001 0.000 0.299 4 V C 0.660 176.653 176.094 -0.169 0.000 1.040 4 V CA -0.172 62.071 62.300 -0.094 0.000 0.913 4 V CB 1.424 33.213 31.823 -0.057 0.000 0.992 4 V HN 1.478 nan 8.190 nan 0.000 0.449 5 A N 4.670 127.307 122.820 -0.305 0.000 2.462 5 A HA 0.333 4.654 4.320 0.001 0.000 0.243 5 A C 0.059 177.489 177.584 -0.257 0.000 1.076 5 A CA -0.057 51.709 52.037 -0.450 0.000 0.773 5 A CB 0.126 18.440 19.000 -1.143 0.000 1.010 5 A HN 0.921 nan 8.150 nan 0.000 0.493 6 D N 1.973 122.259 120.400 -0.191 0.000 2.329 6 D HA 0.207 4.848 4.640 0.001 0.000 0.232 6 D C 0.696 176.949 176.300 -0.078 0.000 1.088 6 D CA -0.351 53.585 54.000 -0.106 0.000 0.835 6 D CB 0.981 41.732 40.800 -0.082 0.000 1.078 6 D HN 0.518 nan 8.370 nan 0.000 0.495 7 K N 2.262 122.639 120.400 -0.038 0.000 2.152 7 K HA -0.161 4.159 4.320 0.001 0.000 0.206 7 K C 1.813 178.423 176.600 0.017 0.000 1.048 7 K CA 1.452 57.744 56.287 0.008 0.000 0.933 7 K CB 0.120 32.636 32.500 0.027 0.000 0.721 7 K HN 0.471 nan 8.250 nan 0.000 0.447 8 A N 1.579 124.399 122.820 -0.000 0.000 1.898 8 A HA -0.186 4.134 4.320 0.001 0.000 0.216 8 A C 1.542 179.149 177.584 0.039 0.000 1.181 8 A CA 1.786 53.828 52.037 0.007 0.000 0.620 8 A CB -0.300 18.683 19.000 -0.028 0.000 0.819 8 A HN 0.161 nan 8.150 nan 0.000 0.442 9 D N 0.097 120.506 120.400 0.015 0.000 2.144 9 D HA -0.104 4.536 4.640 0.001 0.000 0.200 9 D C 1.588 177.928 176.300 0.066 0.000 0.978 9 D CA 0.941 54.971 54.000 0.049 0.000 0.833 9 D CB -0.376 40.416 40.800 -0.014 0.000 0.961 9 D HN 0.322 nan 8.370 nan 0.000 0.470 10 N N 0.988 119.706 118.700 0.031 0.000 2.084 10 N HA -0.113 4.627 4.740 0.001 0.000 0.190 10 N C 1.776 177.331 175.510 0.075 0.000 1.030 10 N CA 1.375 54.458 53.050 0.054 0.000 0.849 10 N CB -0.436 38.105 38.487 0.090 0.000 1.012 10 N HN 0.122 nan 8.380 nan 0.000 0.423 11 A N 0.686 123.558 122.820 0.086 0.000 1.865 11 A HA -0.154 4.166 4.320 0.001 0.000 0.217 11 A C 2.167 179.826 177.584 0.125 0.000 1.191 11 A CA 1.157 53.249 52.037 0.092 0.000 0.623 11 A CB -1.080 17.972 19.000 0.086 0.000 0.826 11 A HN 0.273 nan 8.150 nan 0.000 0.444 12 F N 0.301 120.245 119.950 -0.009 0.000 2.069 12 F HA -0.211 4.317 4.527 0.001 0.000 0.298 12 F C 2.279 178.066 175.800 -0.021 0.000 1.113 12 F CA 2.066 60.062 58.000 -0.008 0.000 1.214 12 F CB -0.259 38.727 39.000 -0.023 0.000 0.978 12 F HN 0.106 nan 8.300 nan 0.000 0.474 13 M N -0.710 118.834 119.600 -0.094 0.000 2.296 13 M HA -0.185 4.295 4.480 0.001 0.000 0.265 13 M C 2.238 178.458 176.300 -0.133 0.000 1.064 13 M CA 1.375 56.513 55.300 -0.270 0.000 1.109 13 M CB -1.212 31.249 32.600 -0.232 0.000 1.396 13 M HN 0.310 nan 8.290 nan 0.000 0.430 14 M N -0.527 119.051 119.600 -0.036 0.000 2.236 14 M HA -0.123 4.357 4.480 0.001 0.000 0.266 14 M C 1.879 178.184 176.300 0.008 0.000 1.070 14 M CA 0.965 56.274 55.300 0.015 0.000 1.137 14 M CB -0.104 32.518 32.600 0.036 0.000 1.378 14 M HN 0.100 nan 8.290 nan 0.000 0.426 15 I N -0.242 120.316 120.570 -0.020 0.000 2.252 15 I HA -0.247 3.923 4.170 0.001 0.000 0.245 15 I C 2.453 178.554 176.117 -0.026 0.000 1.102 15 I CA 1.195 62.487 61.300 -0.014 0.000 1.385 15 I CB -1.546 36.459 38.000 0.009 0.000 1.064 15 I HN 0.376 nan 8.210 nan 0.000 0.414 16 C N 0.639 119.861 119.300 -0.129 0.000 2.425 16 C HA -0.147 4.313 4.460 0.001 0.000 0.277 16 C C 2.975 178.080 174.990 0.192 0.000 1.280 16 C CA 1.354 60.346 59.018 -0.043 0.000 1.744 16 C CB -1.177 26.404 27.740 -0.265 0.000 1.989 16 C HN 0.523 nan 8.230 nan 0.000 0.491 17 T N 1.135 115.816 114.554 0.213 0.000 2.777 17 T HA -0.101 4.249 4.350 0.001 0.000 0.266 17 T C 2.166 176.940 174.700 0.124 0.000 1.040 17 T CA 1.598 63.841 62.100 0.238 0.000 1.141 17 T CB -0.421 68.566 68.868 0.198 0.000 0.868 17 T HN 0.637 nan 8.240 nan 0.000 0.444 18 A N 1.309 124.180 122.820 0.084 0.000 1.908 18 A HA -0.018 4.303 4.320 0.001 0.000 0.218 18 A C 2.303 179.934 177.584 0.078 0.000 1.181 18 A CA 1.260 53.331 52.037 0.055 0.000 0.627 18 A CB -0.902 18.103 19.000 0.008 0.000 0.818 18 A HN 0.477 nan 8.150 nan 0.000 0.445 19 L N -0.628 120.655 121.223 0.099 0.000 2.083 19 L HA -0.151 4.189 4.340 0.001 0.000 0.209 19 L C 2.482 179.447 176.870 0.160 0.000 1.083 19 L CA 0.965 55.906 54.840 0.170 0.000 0.752 19 L CB -0.441 41.719 42.059 0.168 0.000 0.899 19 L HN 0.263 nan 8.230 nan 0.000 0.433 20 V N -0.102 119.872 119.914 0.099 0.000 2.379 20 V HA -0.241 3.879 4.120 0.001 0.000 0.245 20 V C 2.354 178.447 176.094 -0.001 0.000 1.044 20 V CA 1.328 63.626 62.300 -0.003 0.000 1.036 20 V CB -0.301 31.480 31.823 -0.071 0.000 0.664 20 V HN 0.335 nan 8.190 nan 0.000 0.453 21 L N -1.095 120.169 121.223 0.069 0.000 2.079 21 L HA -0.198 4.143 4.340 0.001 0.000 0.210 21 L C 2.413 179.335 176.870 0.088 0.000 1.081 21 L CA 1.576 56.481 54.840 0.107 0.000 0.752 21 L CB -0.652 41.500 42.059 0.154 0.000 0.896 21 L HN 0.329 nan 8.230 nan 0.000 0.433 22 F N 0.722 120.634 119.950 -0.064 0.000 2.216 22 F HA -0.210 4.317 4.527 0.001 0.000 0.300 22 F C 2.368 178.098 175.800 -0.117 0.000 1.085 22 F CA 1.275 59.227 58.000 -0.080 0.000 1.326 22 F CB -0.337 38.640 39.000 -0.039 0.000 1.027 22 F HN 0.008 nan 8.300 nan 0.000 0.497 23 M N -1.031 118.504 119.600 -0.109 0.000 2.159 23 M HA -0.203 4.278 4.480 0.001 0.000 0.263 23 M C 1.869 178.010 176.300 -0.265 0.000 1.063 23 M CA 2.168 57.298 55.300 -0.283 0.000 1.110 23 M CB -0.771 31.607 32.600 -0.370 0.000 1.374 23 M HN 0.007 nan 8.290 nan 0.000 0.411 24 T N 0.271 114.706 114.554 -0.199 0.000 2.866 24 T HA 0.148 4.498 4.350 0.001 0.000 0.250 24 T C 0.896 175.441 174.700 -0.257 0.000 1.033 24 T CA 0.648 62.627 62.100 -0.201 0.000 1.145 24 T CB 0.285 69.065 68.868 -0.147 0.000 0.866 24 T HN 0.068 nan 8.240 nan 0.000 0.434 25 I N 3.322 123.713 120.570 -0.298 0.000 2.388 25 I HA 0.274 4.444 4.170 0.001 0.000 0.281 25 I C -2.150 173.933 176.117 -0.057 0.000 1.046 25 I CA -2.413 58.724 61.300 -0.272 0.000 1.187 25 I CB 1.182 38.878 38.000 -0.506 0.000 1.351 25 I HN 0.076 nan 8.210 nan 0.000 0.472 26 P HA 0.184 nan 4.420 nan 0.000 0.282 26 P C 1.272 178.469 177.300 -0.170 0.000 1.373 26 P CA 0.105 63.133 63.100 -0.121 0.000 1.001 26 P CB 1.013 32.680 31.700 -0.055 0.000 1.489 27 G N 2.163 110.794 108.800 -0.283 0.000 2.839 27 G HA2 -0.336 3.624 3.960 0.001 0.000 0.221 27 G HA3 -0.336 3.624 3.960 0.001 0.000 0.221 27 G C 1.305 176.108 174.900 -0.163 0.000 1.271 27 G CA 1.276 46.201 45.100 -0.292 0.000 0.789 27 G HN 0.278 nan 8.290 nan 0.000 0.659 28 I N 1.827 122.303 120.570 -0.156 0.000 2.361 28 I HA -0.006 4.165 4.170 0.001 0.000 0.251 28 I C 3.034 179.206 176.117 0.091 0.000 1.133 28 I CA 1.382 62.636 61.300 -0.078 0.000 1.413 28 I CB -0.443 37.511 38.000 -0.077 0.000 1.073 28 I HN 0.253 nan 8.210 nan 0.000 0.424 29 A N -0.013 122.830 122.820 0.039 0.000 1.902 29 A HA -0.141 4.179 4.320 0.001 0.000 0.217 29 A C 2.288 179.916 177.584 0.074 0.000 1.181 29 A CA 1.676 53.756 52.037 0.072 0.000 0.623 29 A CB -0.859 18.141 19.000 0.000 0.000 0.818 29 A HN 0.468 nan 8.150 nan 0.000 0.443 30 L N -2.258 118.978 121.223 0.023 0.000 2.109 30 L HA -0.082 4.258 4.340 0.001 0.000 0.207 30 L C 2.450 179.325 176.870 0.007 0.000 1.086 30 L CA 1.224 56.066 54.840 0.004 0.000 0.760 30 L CB -0.531 41.507 42.059 -0.035 0.000 0.910 30 L HN 0.506 nan 8.230 nan 0.000 0.437 31 F N 0.272 120.134 119.950 -0.147 0.000 2.046 31 F HA -0.314 4.213 4.527 0.000 0.000 0.297 31 F C 2.392 178.075 175.800 -0.195 0.000 1.123 31 F CA 1.777 59.643 58.000 -0.224 0.000 1.199 31 F CB -0.391 38.404 39.000 -0.342 0.000 0.972 31 F HN -0.073 nan 8.300 nan 0.000 0.474 32 Y N 0.577 120.924 120.300 0.079 0.000 2.293 32 Y HA 0.009 4.560 4.550 0.001 0.000 0.291 32 Y C 2.693 178.553 175.900 -0.065 0.000 1.137 32 Y CA 1.036 59.119 58.100 -0.029 0.000 1.202 32 Y CB -1.337 37.150 38.460 0.044 0.000 0.990 32 Y HN 0.161 nan 8.280 nan 0.000 0.537 33 G N -0.637 108.234 108.800 0.118 0.000 2.442 33 G HA2 -0.232 3.729 3.960 0.001 0.000 0.219 33 G HA3 -0.232 3.729 3.960 0.001 0.000 0.219 33 G C 1.993 176.924 174.900 0.053 0.000 1.141 33 G CA 1.014 46.172 45.100 0.096 0.000 0.763 33 G HN 0.518 nan 8.290 nan 0.000 0.554 34 G N -0.066 108.651 108.800 -0.138 0.000 2.623 34 G HA2 0.126 4.087 3.960 0.001 0.000 0.214 34 G HA3 0.126 4.087 3.960 0.001 0.000 0.214 34 G C 1.658 176.374 174.900 -0.306 0.000 1.138 34 G CA 0.129 45.015 45.100 -0.356 0.000 0.794 34 G HN 0.416 nan 8.290 nan 0.000 0.535 35 L N 0.559 121.677 121.223 -0.174 0.000 2.168 35 L HA 0.301 4.641 4.340 0.001 0.000 0.203 35 L C 1.748 178.644 176.870 0.044 0.000 1.078 35 L CA 0.068 54.841 54.840 -0.112 0.000 0.780 35 L CB -0.265 41.687 42.059 -0.178 0.000 0.939 35 L HN 0.291 nan 8.230 nan 0.000 0.451 36 I N -1.258 119.376 120.570 0.106 0.000 3.211 36 I HA 0.181 4.351 4.170 0.001 0.000 0.297 36 I C 0.711 176.895 176.117 0.112 0.000 1.095 36 I CA -0.798 60.553 61.300 0.086 0.000 1.239 36 I CB 0.427 38.451 38.000 0.040 0.000 1.455 36 I HN 0.002 nan 8.210 nan 0.000 0.630 37 R N 2.613 123.108 120.500 -0.008 0.000 2.522 37 R HA 0.181 4.521 4.340 0.001 0.000 0.284 37 R C 1.116 177.246 176.300 -0.283 0.000 1.032 37 R CA 1.006 57.044 56.100 -0.103 0.000 1.049 37 R CB 0.638 30.892 30.300 -0.076 0.000 0.956 37 R HN 0.881 nan 8.270 nan 0.000 0.422 38 G N 4.819 113.279 108.800 -0.567 0.000 2.547 38 G HA2 -0.409 3.551 3.960 0.001 0.000 0.221 38 G HA3 -0.409 3.551 3.960 0.001 0.000 0.221 38 G C 0.901 175.623 174.900 -0.296 0.000 1.140 38 G CA 1.330 46.020 45.100 -0.683 0.000 0.760 38 G HN 0.833 nan 8.290 nan 0.000 0.583 39 K N -0.040 120.247 120.400 -0.189 0.000 2.442 39 K HA 0.030 4.351 4.320 0.001 0.000 0.198 39 K C 1.231 177.776 176.600 -0.090 0.000 1.042 39 K CA 1.161 57.382 56.287 -0.111 0.000 0.958 39 K CB -0.061 32.390 32.500 -0.082 0.000 0.766 39 K HN 0.216 nan 8.250 nan 0.000 0.474 40 N N 0.832 119.470 118.700 -0.103 0.000 2.205 40 N HA 0.022 4.762 4.740 0.001 0.000 0.201 40 N C 1.507 176.978 175.510 -0.065 0.000 1.128 40 N CA 0.158 53.161 53.050 -0.077 0.000 0.867 40 N CB 0.606 39.049 38.487 -0.074 0.000 0.996 40 N HN -0.024 nan 8.380 nan 0.000 0.503 41 V N 1.811 121.686 119.914 -0.065 0.000 2.255 41 V HA -0.204 3.916 4.120 0.001 0.000 0.247 41 V C 2.444 178.529 176.094 -0.015 0.000 1.051 41 V CA 1.390 63.679 62.300 -0.019 0.000 1.018 41 V CB -0.539 31.291 31.823 0.012 0.000 0.641 41 V HN 0.234 nan 8.190 nan 0.000 0.445 42 L N -0.179 121.033 121.223 -0.019 0.000 2.012 42 L HA -0.218 4.122 4.340 0.001 0.000 0.210 42 L C 2.733 179.592 176.870 -0.018 0.000 1.073 42 L CA 2.018 56.853 54.840 -0.008 0.000 0.748 42 L CB -0.831 41.227 42.059 -0.002 0.000 0.891 42 L HN 0.368 nan 8.230 nan 0.000 0.431 43 S N -0.446 115.232 115.700 -0.037 0.000 2.356 43 S HA -0.219 4.251 4.470 0.001 0.000 0.223 43 S C 2.003 176.525 174.600 -0.130 0.000 1.032 43 S CA 1.433 59.590 58.200 -0.070 0.000 1.005 43 S CB -0.171 62.986 63.200 -0.072 0.000 0.867 43 S HN 0.316 nan 8.310 nan 0.000 0.449 44 M N 0.947 120.485 119.600 -0.105 0.000 2.132 44 M HA -0.026 4.454 4.480 0.001 0.000 0.263 44 M C 1.834 178.085 176.300 -0.082 0.000 1.065 44 M CA 1.518 56.749 55.300 -0.116 0.000 1.122 44 M CB -0.937 31.614 32.600 -0.081 0.000 1.365 44 M HN 0.374 nan 8.290 nan 0.000 0.411 45 L N -0.477 120.722 121.223 -0.039 0.000 2.083 45 L HA -0.200 4.140 4.340 0.001 0.000 0.209 45 L C 2.275 179.138 176.870 -0.012 0.000 1.083 45 L CA 1.607 56.439 54.840 -0.014 0.000 0.752 45 L CB -1.135 40.927 42.059 0.004 0.000 0.899 45 L HN 0.302 nan 8.230 nan 0.000 0.433 46 T N -0.983 113.560 114.554 -0.018 0.000 2.708 46 T HA -0.210 4.141 4.350 0.001 0.000 0.266 46 T C 1.896 176.592 174.700 -0.006 0.000 1.037 46 T CA 1.209 63.328 62.100 0.031 0.000 1.146 46 T CB -0.178 68.738 68.868 0.079 0.000 0.865 46 T HN 0.373 nan 8.240 nan 0.000 0.435 47 Q N 0.255 119.907 119.800 -0.246 0.000 2.124 47 Q HA -0.056 4.285 4.340 0.001 0.000 0.202 47 Q C 2.571 178.526 176.000 -0.076 0.000 0.977 47 Q CA 1.051 56.626 55.803 -0.381 0.000 0.850 47 Q CB -0.357 28.047 28.738 -0.558 0.000 0.901 47 Q HN 0.353 nan 8.270 nan 0.000 0.429 48 V N 0.456 120.345 119.914 -0.042 0.000 2.453 48 V HA -0.208 3.913 4.120 0.001 0.000 0.247 48 V C 2.146 178.295 176.094 0.092 0.000 1.048 48 V CA 2.011 64.326 62.300 0.026 0.000 1.049 48 V CB -0.614 31.213 31.823 0.006 0.000 0.672 48 V HN 0.407 nan 8.190 nan 0.000 0.457 49 T N -0.056 114.546 114.554 0.080 0.000 2.737 49 T HA -0.143 4.207 4.350 0.001 0.000 0.265 49 T C 1.947 176.792 174.700 0.241 0.000 1.038 49 T CA 1.636 63.812 62.100 0.128 0.000 1.144 49 T CB -0.170 68.752 68.868 0.089 0.000 0.866 49 T HN 0.274 nan 8.240 nan 0.000 0.434 50 V N 2.284 122.337 119.914 0.232 0.000 2.358 50 V HA -0.167 3.953 4.120 0.001 0.000 0.246 50 V C 3.038 179.276 176.094 0.240 0.000 1.047 50 V CA 2.128 64.586 62.300 0.263 0.000 1.035 50 V CB -1.311 30.751 31.823 0.398 0.000 0.658 50 V HN 0.727 nan 8.190 nan 0.000 0.452 51 T N -1.591 113.105 114.554 0.236 0.000 2.867 51 T HA -0.220 4.131 4.350 0.001 0.000 0.268 51 T C 1.816 176.622 174.700 0.177 0.000 1.057 51 T CA 1.585 63.802 62.100 0.195 0.000 1.136 51 T CB -0.605 68.368 68.868 0.175 0.000 0.874 51 T HN 0.382 nan 8.240 nan 0.000 0.466 52 F N 2.973 122.956 119.950 0.055 0.000 2.075 52 F HA 0.105 4.632 4.527 0.000 0.000 0.297 52 F C 2.632 178.452 175.800 0.033 0.000 1.113 52 F CA 1.066 59.082 58.000 0.028 0.000 1.218 52 F CB -0.971 38.042 39.000 0.021 0.000 0.984 52 F HN 0.257 nan 8.300 nan 0.000 0.472 53 A N 0.595 123.458 122.820 0.071 0.000 1.883 53 A HA -0.196 4.125 4.320 0.001 0.000 0.217 53 A C 2.148 179.683 177.584 -0.081 0.000 1.186 53 A CA 1.833 53.841 52.037 -0.048 0.000 0.624 53 A CB -1.414 17.647 19.000 0.101 0.000 0.822 53 A HN 0.539 nan 8.150 nan 0.000 0.444 54 L N 0.003 121.228 121.223 0.003 0.000 2.012 54 L HA -0.141 4.199 4.340 0.001 0.000 0.210 54 L C 2.400 179.253 176.870 -0.029 0.000 1.073 54 L CA 2.102 56.950 54.840 0.013 0.000 0.748 54 L CB -0.619 41.482 42.059 0.071 0.000 0.891 54 L HN 0.159 nan 8.230 nan 0.000 0.431 55 V N -1.237 118.641 119.914 -0.061 0.000 2.343 55 V HA -0.349 3.771 4.120 0.001 0.000 0.247 55 V C 2.661 178.689 176.094 -0.111 0.000 1.051 55 V CA 1.824 64.079 62.300 -0.076 0.000 1.036 55 V CB -0.768 30.995 31.823 -0.100 0.000 0.654 55 V HN 0.655 nan 8.190 nan 0.000 0.451 56 C N -0.158 118.990 119.300 -0.253 0.000 2.413 56 C HA -0.158 4.302 4.460 0.001 0.000 0.276 56 C C 2.578 177.532 174.990 -0.060 0.000 1.248 56 C CA 0.698 59.584 59.018 -0.219 0.000 1.742 56 C CB -0.954 26.569 27.740 -0.362 0.000 2.017 56 C HN 0.479 nan 8.230 nan 0.000 0.481 57 I N 0.649 121.179 120.570 -0.067 0.000 2.233 57 I HA -0.102 4.068 4.170 0.001 0.000 0.243 57 I C 2.366 178.443 176.117 -0.066 0.000 1.093 57 I CA 1.625 62.901 61.300 -0.040 0.000 1.380 57 I CB -1.454 36.531 38.000 -0.024 0.000 1.067 57 I HN 0.345 nan 8.210 nan 0.000 0.413 58 L N -0.757 120.407 121.223 -0.097 0.000 2.131 58 L HA -0.228 4.112 4.340 0.001 0.000 0.210 58 L C 2.614 179.256 176.870 -0.379 0.000 1.092 58 L CA 1.288 55.943 54.840 -0.309 0.000 0.759 58 L CB -0.592 41.320 42.059 -0.245 0.000 0.903 58 L HN 0.441 nan 8.230 nan 0.000 0.435 59 W N 0.423 121.558 121.300 -0.276 0.000 2.355 59 W HA -0.204 4.456 4.660 0.000 0.000 0.309 59 W C 2.212 178.673 176.519 -0.096 0.000 1.206 59 W CA 1.651 58.902 57.345 -0.156 0.000 1.284 59 W CB 0.025 29.432 29.460 -0.088 0.000 1.145 59 W HN -0.070 nan 8.180 nan 0.000 0.502 60 V N 0.307 120.203 119.914 -0.029 0.000 2.453 60 V HA -0.268 3.852 4.120 0.001 0.000 0.247 60 V C 2.134 178.169 176.094 -0.100 0.000 1.048 60 V CA 1.467 63.712 62.300 -0.092 0.000 1.049 60 V CB -0.670 31.130 31.823 -0.039 0.000 0.672 60 V HN 0.010 nan 8.190 nan 0.000 0.457 61 V N 0.103 119.951 119.914 -0.109 0.000 2.261 61 V HA -0.221 3.900 4.120 0.001 0.000 0.246 61 V C 1.867 177.988 176.094 0.045 0.000 1.047 61 V CA 2.845 65.130 62.300 -0.025 0.000 1.015 61 V CB -0.534 31.304 31.823 0.025 0.000 0.642 61 V HN 0.888 nan 8.190 nan 0.000 0.446 62 Y N -2.612 117.667 120.300 -0.034 0.000 2.580 62 Y HA 0.526 5.076 4.550 0.001 0.000 0.290 62 Y C 1.811 177.632 175.900 -0.132 0.000 0.981 62 Y CA 0.258 58.326 58.100 -0.053 0.000 1.120 62 Y CB -0.633 37.802 38.460 -0.042 0.000 1.415 62 Y HN -0.030 nan 8.280 nan 0.000 0.588 63 G N 1.407 109.903 108.800 -0.506 0.000 2.480 63 G HA2 -0.377 3.584 3.960 0.001 0.000 0.216 63 G HA3 -0.377 3.584 3.960 0.001 0.000 0.216 63 G C 1.441 175.858 174.900 -0.806 0.000 1.200 63 G CA 1.676 46.494 45.100 -0.469 0.000 0.782 63 G HN 0.515 nan 8.290 nan 0.000 0.554 64 Y N 1.569 121.030 120.300 -1.397 0.000 2.128 64 Y HA -0.175 4.376 4.550 0.001 0.000 0.284 64 Y C 3.181 179.018 175.900 -0.105 0.000 1.154 64 Y CA 1.994 59.515 58.100 -0.966 0.000 1.149 64 Y CB -0.585 37.427 38.460 -0.746 0.000 0.976 64 Y HN 0.247 nan 8.280 nan 0.000 0.505 65 S N -0.112 115.614 115.700 0.042 0.000 2.359 65 S HA -0.208 4.262 4.470 0.001 0.000 0.224 65 S C 2.052 176.621 174.600 -0.052 0.000 1.035 65 S CA 1.791 60.089 58.200 0.162 0.000 1.018 65 S CB -0.643 62.683 63.200 0.210 0.000 0.876 65 S HN 0.547 nan 8.310 nan 0.000 0.448 66 L N 0.417 121.604 121.223 -0.061 0.000 2.217 66 L HA 0.016 4.356 4.340 0.001 0.000 0.211 66 L C 2.688 179.472 176.870 -0.143 0.000 1.107 66 L CA 0.990 55.786 54.840 -0.073 0.000 0.783 66 L CB -0.473 41.586 42.059 -0.000 0.000 0.919 66 L HN 0.434 nan 8.230 nan 0.000 0.442 67 A N -0.795 121.915 122.820 -0.184 0.000 1.911 67 A HA -0.014 4.306 4.320 0.001 0.000 0.212 67 A C 1.613 178.938 177.584 -0.431 0.000 1.189 67 A CA 0.902 52.772 52.037 -0.278 0.000 0.639 67 A CB -0.267 18.613 19.000 -0.201 0.000 0.839 67 A HN 0.335 nan 8.150 nan 0.000 0.449 68 F N -0.057 119.840 119.950 -0.088 0.000 2.704 68 F HA 0.319 4.847 4.527 0.001 0.000 0.304 68 F C 1.612 177.437 175.800 0.042 0.000 1.094 68 F CA -0.297 57.693 58.000 -0.018 0.000 1.275 68 F CB -0.029 38.874 39.000 -0.163 0.000 1.073 68 F HN 0.218 nan 8.300 nan 0.000 0.586 69 G N 0.495 109.265 108.800 -0.051 0.000 2.634 69 G HA2 0.173 4.133 3.960 0.001 0.000 0.255 69 G HA3 0.173 4.133 3.960 0.001 0.000 0.255 69 G C -0.674 174.103 174.900 -0.204 0.000 1.205 69 G CA -0.377 44.432 45.100 -0.485 0.000 0.884 69 G HN 0.231 nan 8.290 nan 0.000 0.549 70 E N -0.316 119.721 120.200 -0.273 0.000 2.229 70 E HA 0.521 4.871 4.350 0.001 0.000 0.283 70 E C 0.678 177.194 176.600 -0.139 0.000 1.030 70 E CA 0.052 56.390 56.400 -0.104 0.000 0.836 70 E CB 0.687 30.331 29.700 -0.095 0.000 1.068 70 E HN 0.491 nan 8.360 nan 0.000 0.401 71 G N 4.052 112.789 108.800 -0.105 0.000 3.009 71 G HA2 0.117 4.077 3.960 0.001 0.000 0.183 71 G HA3 0.117 4.077 3.960 0.001 0.000 0.183 71 G C -0.440 174.340 174.900 -0.201 0.000 1.613 71 G CA 0.144 45.120 45.100 -0.206 0.000 0.910 71 G HN 0.649 nan 8.290 nan 0.000 0.785 72 N N -1.031 117.489 118.700 -0.299 0.000 3.369 72 N HA 0.304 5.045 4.740 0.001 0.000 0.362 72 N C 0.322 175.738 175.510 -0.157 0.000 1.523 72 N CA -0.669 52.237 53.050 -0.240 0.000 0.684 72 N CB 0.395 38.685 38.487 -0.328 0.000 1.796 72 N HN 0.059 nan 8.380 nan 0.000 0.641 73 N N -1.230 117.310 118.700 -0.267 0.000 2.457 73 N HA 0.119 4.860 4.740 0.001 0.000 0.180 73 N C 0.111 175.239 175.510 -0.637 0.000 1.050 73 N CA 0.774 53.533 53.050 -0.485 0.000 0.906 73 N CB -0.214 37.832 38.487 -0.735 0.000 0.968 73 N HN 0.432 nan 8.380 nan 0.000 0.445 74 F N -0.768 119.148 119.950 -0.056 0.000 2.602 74 F HA 0.252 4.781 4.527 0.002 0.000 0.284 74 F C 0.450 176.254 175.800 0.007 0.000 1.111 74 F CA -0.325 57.679 58.000 0.006 0.000 1.405 74 F CB 0.133 39.235 39.000 0.171 0.000 1.121 74 F HN -0.179 nan 8.300 nan 0.000 0.603 75 F N -1.893 117.964 119.950 -0.155 0.000 2.662 75 F HA 0.822 5.349 4.527 0.000 0.000 0.312 75 F C 0.388 175.606 175.800 -0.970 0.000 1.113 75 F CA -1.667 55.985 58.000 -0.580 0.000 0.951 75 F CB 0.411 39.278 39.000 -0.222 0.000 1.344 75 F HN -0.073 nan 8.300 nan 0.000 0.462 76 G N 0.820 109.201 108.800 -0.698 0.000 3.197 76 G HA2 0.401 4.362 3.960 0.001 0.000 0.167 76 G HA3 0.401 4.362 3.960 0.001 0.000 0.167 76 G C -0.878 173.942 174.900 -0.134 0.000 1.914 76 G CA 0.363 45.194 45.100 -0.448 0.000 0.956 76 G HN 1.094 nan 8.290 nan 0.000 0.480 77 N N -2.087 116.535 118.700 -0.130 0.000 3.204 77 N HA 0.386 5.126 4.740 0.001 0.000 0.285 77 N C -0.256 175.202 175.510 -0.085 0.000 1.536 77 N CA -0.510 52.486 53.050 -0.089 0.000 0.832 77 N CB 0.926 39.306 38.487 -0.178 0.000 1.645 77 N HN 0.592 nan 8.380 nan 0.000 0.586 78 I N -3.987 116.542 120.570 -0.067 0.000 3.654 78 I HA 0.482 4.652 4.170 0.001 0.000 0.337 78 I C -0.411 175.697 176.117 -0.014 0.000 1.568 78 I CA -0.577 60.708 61.300 -0.025 0.000 1.115 78 I CB -0.448 37.538 38.000 -0.024 0.000 1.300 78 I HN 0.400 nan 8.210 nan 0.000 0.471 79 N N 0.450 119.092 118.700 -0.095 0.000 2.463 79 N HA 0.027 4.768 4.740 0.001 0.000 0.181 79 N C 0.035 175.620 175.510 0.124 0.000 1.078 79 N CA 0.335 53.340 53.050 -0.075 0.000 0.902 79 N CB 0.157 38.502 38.487 -0.235 0.000 0.970 79 N HN 0.475 nan 8.380 nan 0.000 0.451 80 W N 1.422 122.760 121.300 0.064 0.000 2.159 80 W HA 0.369 5.029 4.660 0.001 0.000 0.375 80 W C -0.750 175.806 176.519 0.062 0.000 0.794 80 W CA -1.083 56.313 57.345 0.085 0.000 2.716 80 W CB -0.776 28.777 29.460 0.154 0.000 1.583 80 W HN -0.071 nan 8.180 nan 0.000 0.702 81 L N 1.981 123.343 121.223 0.233 0.000 2.477 81 L HA 0.046 4.386 4.340 0.001 0.000 0.272 81 L C 1.188 178.129 176.870 0.119 0.000 1.157 81 L CA 0.354 55.287 54.840 0.155 0.000 0.889 81 L CB 0.117 42.247 42.059 0.118 0.000 1.158 81 L HN 0.064 nan 8.230 nan 0.000 0.473 82 M N 4.680 124.326 119.600 0.076 0.000 2.751 82 M HA -0.240 4.240 4.480 0.001 0.000 0.199 82 M C 0.671 176.982 176.300 0.018 0.000 0.550 82 M CA 0.532 55.853 55.300 0.035 0.000 0.640 82 M CB -1.497 31.131 32.600 0.047 0.000 2.351 82 M HN 0.722 nan 8.290 nan 0.000 0.613 83 L N -2.122 119.111 121.223 0.016 0.000 4.232 83 L HA -0.262 4.078 4.340 0.001 0.000 0.415 83 L C 0.826 177.721 176.870 0.043 0.000 1.168 83 L CA 1.164 55.972 54.840 -0.054 0.000 0.966 83 L CB -1.531 40.370 42.059 -0.264 0.000 2.052 83 L HN 0.583 nan 8.230 nan 0.000 0.887 84 K N 1.559 122.034 120.400 0.126 0.000 2.414 84 K HA 0.021 4.341 4.320 0.001 0.000 0.272 84 K C 1.203 177.930 176.600 0.211 0.000 0.993 84 K CA 0.646 57.021 56.287 0.146 0.000 0.964 84 K CB 0.351 32.939 32.500 0.147 0.000 0.925 84 K HN 0.332 nan 8.250 nan 0.000 0.487 85 N N 0.822 119.624 118.700 0.170 0.000 2.936 85 N HA -0.222 4.519 4.740 0.001 0.000 0.236 85 N C -0.764 174.837 175.510 0.151 0.000 0.930 85 N CA 1.272 54.443 53.050 0.201 0.000 0.966 85 N CB -1.257 37.415 38.487 0.309 0.000 1.090 85 N HN 0.542 nan 8.380 nan 0.000 0.592 86 I N 1.751 122.344 120.570 0.037 0.000 2.306 86 I HA 0.102 4.272 4.170 0.001 0.000 0.288 86 I C 0.655 176.812 176.117 0.067 0.000 1.036 86 I CA -0.439 60.827 61.300 -0.058 0.000 1.221 86 I CB 0.844 38.689 38.000 -0.258 0.000 1.385 86 I HN -0.142 nan 8.210 nan 0.000 0.472 87 E N 4.061 124.288 120.200 0.045 0.000 2.415 87 E HA -0.041 4.310 4.350 0.001 0.000 0.262 87 E C 0.867 177.442 176.600 -0.041 0.000 1.038 87 E CA -0.164 56.244 56.400 0.013 0.000 0.921 87 E CB 1.418 31.129 29.700 0.019 0.000 0.950 87 E HN 0.449 nan 8.360 nan 0.000 0.438 88 L N 3.667 124.788 121.223 -0.169 0.000 2.079 88 L HA -0.196 4.145 4.340 0.001 0.000 0.210 88 L C 2.019 178.708 176.870 -0.301 0.000 1.081 88 L CA 2.435 57.036 54.840 -0.397 0.000 0.752 88 L CB -0.893 40.913 42.059 -0.420 0.000 0.896 88 L HN 0.659 nan 8.230 nan 0.000 0.433 89 T N -2.651 111.819 114.554 -0.139 0.000 3.219 89 T HA 0.423 4.773 4.350 0.001 0.000 0.249 89 T C 0.795 175.628 174.700 0.222 0.000 1.099 89 T CA 0.100 62.214 62.100 0.024 0.000 0.988 89 T CB -0.708 68.187 68.868 0.045 0.000 0.999 89 T HN 0.391 nan 8.240 nan 0.000 0.550 90 A N 1.354 124.256 122.820 0.137 0.000 2.488 90 A HA 0.549 4.870 4.320 0.001 0.000 0.249 90 A C 0.185 177.856 177.584 0.145 0.000 1.083 90 A CA -0.389 51.717 52.037 0.115 0.000 0.768 90 A CB 0.154 19.190 19.000 0.059 0.000 1.017 90 A HN 0.376 nan 8.150 nan 0.000 0.496 91 V N 3.497 123.443 119.914 0.054 0.000 2.547 91 V HA 0.558 4.679 4.120 0.001 0.000 0.299 91 V C -0.025 176.040 176.094 -0.048 0.000 1.040 91 V CA -0.342 61.935 62.300 -0.038 0.000 0.913 91 V CB 1.484 33.241 31.823 -0.110 0.000 0.992 91 V HN 0.972 nan 8.190 nan 0.000 0.449 92 M N 4.527 124.074 119.600 -0.089 0.000 2.093 92 M HA 0.700 5.181 4.480 0.001 0.000 0.297 92 M C 0.323 176.528 176.300 -0.158 0.000 0.938 92 M CA 1.018 56.236 55.300 -0.137 0.000 0.920 92 M CB 0.902 33.360 32.600 -0.237 0.000 1.517 92 M HN 1.030 nan 8.290 nan 0.000 0.427 93 G N 3.064 111.789 108.800 -0.124 0.000 2.557 93 G HA2 -0.298 3.662 3.960 0.001 0.000 0.292 93 G HA3 -0.298 3.662 3.960 0.001 0.000 0.292 93 G C 0.316 175.154 174.900 -0.103 0.000 1.162 93 G CA 0.595 45.630 45.100 -0.107 0.000 0.964 93 G HN 1.560 nan 8.290 nan 0.000 0.541 94 S N 0.346 115.980 115.700 -0.111 0.000 2.749 94 S HA 0.627 5.098 4.470 0.001 0.000 0.246 94 S C 0.537 175.037 174.600 -0.166 0.000 1.023 94 S CA 0.537 58.664 58.200 -0.123 0.000 1.012 94 S CB -0.336 62.809 63.200 -0.091 0.000 0.942 94 S HN 1.706 nan 8.310 nan 0.000 0.531 95 I N -2.629 117.837 120.570 -0.173 0.000 3.042 95 I HA 0.693 4.863 4.170 0.001 0.000 0.310 95 I C -1.089 174.911 176.117 -0.196 0.000 1.117 95 I CA -1.760 59.427 61.300 -0.189 0.000 1.003 95 I CB 0.928 38.879 38.000 -0.081 0.000 1.228 95 I HN -0.133 nan 8.210 nan 0.000 0.443 96 Y N 1.958 122.250 120.300 -0.013 0.000 2.610 96 Y HA 0.008 4.559 4.550 0.000 0.000 0.332 96 Y C 1.721 177.632 175.900 0.019 0.000 1.201 96 Y CA 0.481 58.579 58.100 -0.003 0.000 1.465 96 Y CB 0.512 38.969 38.460 -0.005 0.000 1.283 96 Y HN 0.679 nan 8.280 nan 0.000 0.563 97 Q N 1.870 121.779 119.800 0.181 0.000 2.181 97 Q HA -0.249 4.091 4.340 0.001 0.000 0.205 97 Q C 1.208 177.246 176.000 0.062 0.000 0.980 97 Q CA 1.655 57.505 55.803 0.077 0.000 0.862 97 Q CB -0.177 28.551 28.738 -0.018 0.000 0.905 97 Q HN 0.858 nan 8.270 nan 0.000 0.429 98 Y N 0.284 120.548 120.300 -0.060 0.000 2.256 98 Y HA -0.224 4.326 4.550 0.001 0.000 0.288 98 Y C 1.855 177.720 175.900 -0.057 0.000 1.155 98 Y CA 1.266 59.304 58.100 -0.104 0.000 1.203 98 Y CB -0.059 38.350 38.460 -0.086 0.000 0.980 98 Y HN 0.192 nan 8.280 nan 0.000 0.530 99 I N -1.545 119.117 120.570 0.152 0.000 2.353 99 I HA -0.293 3.877 4.170 0.001 0.000 0.248 99 I C 2.572 178.733 176.117 0.073 0.000 1.119 99 I CA 1.306 62.666 61.300 0.100 0.000 1.417 99 I CB -0.532 37.527 38.000 0.100 0.000 1.078 99 I HN 0.306 nan 8.210 nan 0.000 0.421 100 H N 1.114 120.157 119.070 -0.045 0.000 2.353 100 H HA -0.119 4.437 4.556 0.000 0.000 0.300 100 H C 2.302 177.596 175.328 -0.057 0.000 1.090 100 H CA 1.774 57.785 56.048 -0.060 0.000 1.327 100 H CB 0.277 29.990 29.762 -0.081 0.000 1.383 100 H HN 0.106 nan 8.280 nan 0.000 0.508 101 V N 1.400 121.157 119.914 -0.262 0.000 2.255 101 V HA -0.297 3.823 4.120 0.001 0.000 0.247 101 V C 3.049 179.132 176.094 -0.019 0.000 1.051 101 V CA 1.835 63.868 62.300 -0.444 0.000 1.018 101 V CB -1.194 30.154 31.823 -0.792 0.000 0.641 101 V HN 0.592 nan 8.190 nan 0.000 0.445 102 A N -0.808 121.984 122.820 -0.046 0.000 1.898 102 A HA -0.199 4.121 4.320 0.001 0.000 0.216 102 A C 2.108 179.689 177.584 -0.004 0.000 1.181 102 A CA 1.857 53.893 52.037 -0.002 0.000 0.620 102 A CB -0.690 18.325 19.000 0.025 0.000 0.819 102 A HN 0.505 nan 8.150 nan 0.000 0.442 103 F N 0.681 120.550 119.950 -0.136 0.000 2.102 103 F HA -0.212 4.316 4.527 0.001 0.000 0.298 103 F C 2.534 178.204 175.800 -0.217 0.000 1.105 103 F CA 2.216 60.123 58.000 -0.154 0.000 1.239 103 F CB -0.198 38.678 39.000 -0.207 0.000 0.991 103 F HN 0.193 nan 8.300 nan 0.000 0.474 104 Q N 0.270 119.892 119.800 -0.296 0.000 2.084 104 Q HA -0.101 4.239 4.340 0.001 0.000 0.202 104 Q C 2.563 178.224 176.000 -0.565 0.000 0.978 104 Q CA 1.452 57.034 55.803 -0.368 0.000 0.844 104 Q CB -1.404 27.251 28.738 -0.139 0.000 0.898 104 Q HN 0.573 nan 8.270 nan 0.000 0.426 105 G N 1.025 109.377 108.800 -0.746 0.000 2.432 105 G HA2 -0.258 3.702 3.960 0.001 0.000 0.219 105 G HA3 -0.258 3.702 3.960 0.001 0.000 0.219 105 G C 1.648 176.128 174.900 -0.699 0.000 1.135 105 G CA 1.365 45.594 45.100 -1.452 0.000 0.767 105 G HN 0.514 nan 8.290 nan 0.000 0.550 106 S N 0.087 115.571 115.700 -0.360 0.000 2.419 106 S HA -0.016 4.454 4.470 0.001 0.000 0.233 106 S C 2.030 176.543 174.600 -0.145 0.000 1.016 106 S CA 0.866 58.959 58.200 -0.180 0.000 0.974 106 S CB -0.453 62.691 63.200 -0.094 0.000 0.786 106 S HN 0.160 nan 8.310 nan 0.000 0.492 107 F N 2.363 122.058 119.950 -0.424 0.000 2.206 107 F HA 0.311 4.838 4.527 0.000 0.000 0.298 107 F C 2.807 178.434 175.800 -0.288 0.000 1.090 107 F CA 0.114 57.976 58.000 -0.231 0.000 1.323 107 F CB -1.040 37.871 39.000 -0.147 0.000 1.028 107 F HN 0.308 nan 8.300 nan 0.000 0.492 108 A N -0.931 121.615 122.820 -0.457 0.000 1.902 108 A HA -0.194 4.126 4.320 0.001 0.000 0.217 108 A C 2.367 179.697 177.584 -0.423 0.000 1.181 108 A CA 1.805 53.306 52.037 -0.894 0.000 0.623 108 A CB -1.477 16.941 19.000 -0.970 0.000 0.818 108 A HN 0.452 nan 8.150 nan 0.000 0.443 109 C N -1.188 117.945 119.300 -0.279 0.000 2.413 109 C HA -0.122 4.339 4.460 0.001 0.000 0.277 109 C C 2.478 177.467 174.990 -0.003 0.000 1.228 109 C CA 1.169 60.145 59.018 -0.070 0.000 1.731 109 C CB -1.297 26.480 27.740 0.061 0.000 2.042 109 C HN 0.692 nan 8.230 nan 0.000 0.468 110 I N 1.151 121.682 120.570 -0.065 0.000 2.361 110 I HA -0.156 4.014 4.170 0.001 0.000 0.251 110 I C 2.333 178.411 176.117 -0.065 0.000 1.133 110 I CA 1.852 63.088 61.300 -0.106 0.000 1.413 110 I CB -0.648 37.199 38.000 -0.256 0.000 1.073 110 I HN 0.307 nan 8.210 nan 0.000 0.424 111 T N -0.249 114.295 114.554 -0.017 0.000 2.708 111 T HA -0.141 4.209 4.350 0.001 0.000 0.266 111 T C 2.013 176.773 174.700 0.100 0.000 1.037 111 T CA 1.873 64.033 62.100 0.101 0.000 1.146 111 T CB -0.499 68.497 68.868 0.213 0.000 0.865 111 T HN 0.208 nan 8.240 nan 0.000 0.435 112 V N 1.353 121.317 119.914 0.083 0.000 2.427 112 V HA -0.055 4.065 4.120 0.001 0.000 0.248 112 V C 2.858 179.000 176.094 0.079 0.000 1.051 112 V CA 1.819 64.178 62.300 0.098 0.000 1.048 112 V CB -1.314 30.578 31.823 0.115 0.000 0.666 112 V HN 0.606 nan 8.190 nan 0.000 0.456 113 G N -0.224 108.619 108.800 0.072 0.000 2.440 113 G HA2 -0.218 3.742 3.960 0.001 0.000 0.218 113 G HA3 -0.218 3.742 3.960 0.001 0.000 0.218 113 G C 1.577 176.543 174.900 0.109 0.000 1.154 113 G CA 0.835 45.980 45.100 0.075 0.000 0.767 113 G HN 0.442 nan 8.290 nan 0.000 0.552 114 L N -0.053 121.224 121.223 0.090 0.000 2.042 114 L HA -0.093 4.247 4.340 0.001 0.000 0.210 114 L C 2.867 179.908 176.870 0.284 0.000 1.076 114 L CA 1.012 55.949 54.840 0.162 0.000 0.749 114 L CB -0.357 41.712 42.059 0.017 0.000 0.893 114 L HN 0.281 nan 8.230 nan 0.000 0.432 115 I N -1.407 119.265 120.570 0.170 0.000 2.235 115 I HA -0.194 3.976 4.170 0.001 0.000 0.241 115 I C 2.450 178.600 176.117 0.055 0.000 1.085 115 I CA 0.670 62.056 61.300 0.143 0.000 1.378 115 I CB -0.337 37.615 38.000 -0.080 0.000 1.076 115 I HN -0.055 nan 8.210 nan 0.000 0.415 116 V N 1.476 121.397 119.914 0.011 0.000 2.332 116 V HA -0.232 3.888 4.120 0.001 0.000 0.248 116 V C 2.642 178.629 176.094 -0.179 0.000 1.055 116 V CA 2.250 64.521 62.300 -0.048 0.000 1.038 116 V CB -1.531 30.298 31.823 0.009 0.000 0.651 116 V HN 0.600 nan 8.190 nan 0.000 0.450 117 G N -0.524 108.126 108.800 -0.250 0.000 2.442 117 G HA2 -0.212 3.748 3.960 0.001 0.000 0.219 117 G HA3 -0.212 3.748 3.960 0.001 0.000 0.219 117 G C 1.703 175.931 174.900 -1.119 0.000 1.141 117 G CA 1.130 45.896 45.100 -0.556 0.000 0.763 117 G HN 0.628 nan 8.290 nan 0.000 0.554 118 A N 0.127 122.239 122.820 -1.180 0.000 1.898 118 A HA 0.315 4.635 4.320 0.001 0.000 0.214 118 A C 2.290 179.704 177.584 -0.283 0.000 1.183 118 A CA 0.787 52.360 52.037 -0.773 0.000 0.622 118 A CB -0.197 18.516 19.000 -0.480 0.000 0.824 118 A HN 0.322 nan 8.150 nan 0.000 0.444 119 L N -0.775 120.348 121.223 -0.168 0.000 2.509 119 L HA 0.066 4.406 4.340 0.001 0.000 0.222 119 L C 2.800 179.584 176.870 -0.144 0.000 1.123 119 L CA 0.460 55.227 54.840 -0.121 0.000 0.856 119 L CB -0.317 41.676 42.059 -0.109 0.000 0.985 119 L HN 0.401 nan 8.230 nan 0.000 0.456 120 A N 0.464 123.177 122.820 -0.178 0.000 1.927 120 A HA -0.279 4.041 4.320 0.001 0.000 0.220 120 A C 2.172 179.669 177.584 -0.146 0.000 1.185 120 A CA 1.920 53.850 52.037 -0.178 0.000 0.639 120 A CB -0.394 18.485 19.000 -0.203 0.000 0.820 120 A HN 0.452 nan 8.150 nan 0.000 0.451 121 E N -0.931 119.191 120.200 -0.130 0.000 2.049 121 E HA -0.244 4.106 4.350 0.001 0.000 0.198 121 E C 2.183 178.732 176.600 -0.084 0.000 1.007 121 E CA 1.708 58.049 56.400 -0.098 0.000 0.809 121 E CB -0.091 29.558 29.700 -0.086 0.000 0.749 121 E HN 0.580 nan 8.360 nan 0.000 0.450 122 R N -0.376 120.072 120.500 -0.088 0.000 2.280 122 R HA 0.267 4.607 4.340 0.001 0.000 0.195 122 R C 0.771 177.025 176.300 -0.077 0.000 0.935 122 R CA 0.054 56.106 56.100 -0.081 0.000 1.033 122 R CB 0.417 30.664 30.300 -0.089 0.000 0.964 122 R HN 0.125 nan 8.270 nan 0.000 0.489 123 I N 0.762 121.284 120.570 -0.079 0.000 2.437 123 I HA 0.227 4.398 4.170 0.001 0.000 0.298 123 I C -0.084 176.021 176.117 -0.020 0.000 0.984 123 I CA -1.250 60.018 61.300 -0.053 0.000 1.214 123 I CB 1.127 39.093 38.000 -0.057 0.000 1.365 123 I HN 0.033 nan 8.210 nan 0.000 0.469 124 R N 4.639 125.151 120.500 0.021 0.000 2.537 124 R HA -0.013 4.327 4.340 0.001 0.000 0.280 124 R C 0.588 176.976 176.300 0.147 0.000 1.058 124 R CA -0.041 56.102 56.100 0.071 0.000 1.057 124 R CB 0.448 30.789 30.300 0.069 0.000 0.973 124 R HN 0.657 nan 8.270 nan 0.000 0.438 125 F N 2.592 122.552 119.950 0.017 0.000 2.065 125 F HA -0.281 4.246 4.527 0.000 0.000 0.298 125 F C 2.424 178.249 175.800 0.041 0.000 1.112 125 F CA 2.449 60.465 58.000 0.028 0.000 1.212 125 F CB -0.695 38.320 39.000 0.024 0.000 0.975 125 F HN 0.707 nan 8.300 nan 0.000 0.476 126 S N 0.127 115.992 115.700 0.274 0.000 2.399 126 S HA -0.128 4.343 4.470 0.001 0.000 0.231 126 S C 2.212 176.906 174.600 0.156 0.000 1.022 126 S CA 0.927 59.211 58.200 0.141 0.000 0.983 126 S CB -1.116 62.120 63.200 0.061 0.000 0.803 126 S HN 0.385 nan 8.310 nan 0.000 0.480 127 A N 0.957 123.872 122.820 0.157 0.000 1.968 127 A HA 0.170 4.490 4.320 0.001 0.000 0.217 127 A C 2.367 180.069 177.584 0.196 0.000 1.169 127 A CA 1.175 53.300 52.037 0.147 0.000 0.638 127 A CB -0.953 18.115 19.000 0.113 0.000 0.812 127 A HN 0.512 nan 8.150 nan 0.000 0.446 128 V N -0.048 119.991 119.914 0.209 0.000 2.453 128 V HA -0.147 3.973 4.120 0.001 0.000 0.247 128 V C 2.327 178.589 176.094 0.280 0.000 1.048 128 V CA 1.804 64.239 62.300 0.226 0.000 1.049 128 V CB -0.388 31.512 31.823 0.128 0.000 0.672 128 V HN 0.585 nan 8.190 nan 0.000 0.457 129 L N -0.537 120.848 121.223 0.271 0.000 2.046 129 L HA -0.170 4.170 4.340 0.001 0.000 0.208 129 L C 2.385 179.353 176.870 0.164 0.000 1.077 129 L CA 1.956 56.927 54.840 0.218 0.000 0.747 129 L CB -0.513 41.652 42.059 0.178 0.000 0.896 129 L HN 0.278 nan 8.230 nan 0.000 0.432 130 I N -0.821 119.841 120.570 0.154 0.000 2.179 130 I HA -0.340 3.831 4.170 0.001 0.000 0.242 130 I C 2.534 178.717 176.117 0.110 0.000 1.088 130 I CA 1.519 62.888 61.300 0.115 0.000 1.357 130 I CB -0.361 37.702 38.000 0.106 0.000 1.051 130 I HN 0.166 nan 8.210 nan 0.000 0.409 131 F N 1.422 121.384 119.950 0.020 0.000 2.095 131 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 131 F C 2.345 178.168 175.800 0.038 0.000 1.104 131 F CA 1.640 59.611 58.000 -0.049 0.000 1.232 131 F CB -0.485 38.421 39.000 -0.157 0.000 0.987 131 F HN -0.236 nan 8.300 nan 0.000 0.475 132 V N -0.085 119.842 119.914 0.022 0.000 2.295 132 V HA -0.309 3.811 4.120 0.001 0.000 0.246 132 V C 2.440 178.529 176.094 -0.008 0.000 1.049 132 V CA 1.732 64.030 62.300 -0.002 0.000 1.024 132 V CB -0.758 31.158 31.823 0.156 0.000 0.648 132 V HN 0.319 nan 8.190 nan 0.000 0.447 133 V N -0.308 119.626 119.914 0.033 0.000 2.287 133 V HA -0.254 3.866 4.120 0.001 0.000 0.248 133 V C 2.395 178.503 176.094 0.024 0.000 1.053 133 V CA 2.155 64.493 62.300 0.062 0.000 1.027 133 V CB -0.540 31.328 31.823 0.076 0.000 0.646 133 V HN 0.405 nan 8.190 nan 0.000 0.447 134 V N -1.454 118.431 119.914 -0.048 0.000 2.261 134 V HA -0.289 3.831 4.120 0.001 0.000 0.246 134 V C 1.989 178.035 176.094 -0.079 0.000 1.047 134 V CA 2.485 64.744 62.300 -0.067 0.000 1.015 134 V CB -0.740 31.033 31.823 -0.082 0.000 0.642 134 V HN 0.774 nan 8.190 nan 0.000 0.446 135 W N 0.159 121.197 121.300 -0.435 0.000 2.402 135 W HA -0.123 4.537 4.660 -0.001 0.000 0.286 135 W C 2.165 178.624 176.519 -0.100 0.000 1.221 135 W CA 1.585 58.703 57.345 -0.378 0.000 1.257 135 W CB -0.106 28.840 29.460 -0.857 0.000 1.120 135 W HN 0.221 nan 8.180 nan 0.000 0.551 136 L N 0.184 121.452 121.223 0.075 0.000 2.056 136 L HA -0.134 4.206 4.340 0.001 0.000 0.207 136 L C 2.277 179.188 176.870 0.068 0.000 1.078 136 L CA 2.639 57.531 54.840 0.087 0.000 0.749 136 L CB -1.145 41.015 42.059 0.168 0.000 0.901 136 L HN -0.152 nan 8.230 nan 0.000 0.433 137 T N -0.182 114.426 114.554 0.091 0.000 2.777 137 T HA -0.069 4.282 4.350 0.001 0.000 0.266 137 T C 1.737 176.451 174.700 0.023 0.000 1.040 137 T CA 1.816 63.992 62.100 0.127 0.000 1.141 137 T CB -0.182 68.756 68.868 0.117 0.000 0.868 137 T HN 0.289 nan 8.240 nan 0.000 0.444 138 L N -0.131 121.071 121.223 -0.035 0.000 2.554 138 L HA 0.305 4.645 4.340 0.001 0.000 0.225 138 L C 2.294 179.225 176.870 0.101 0.000 1.104 138 L CA 0.289 55.135 54.840 0.012 0.000 0.866 138 L CB 0.069 42.114 42.059 -0.023 0.000 1.047 138 L HN 0.204 nan 8.230 nan 0.000 0.468 139 S N -1.387 114.188 115.700 -0.207 0.000 3.148 139 S HA -0.014 4.457 4.470 0.001 0.000 0.246 139 S C 1.720 176.004 174.600 -0.526 0.000 1.041 139 S CA -0.158 57.840 58.200 -0.337 0.000 0.813 139 S CB -0.223 62.439 63.200 -0.898 0.000 0.813 139 S HN 0.304 nan 8.310 nan 0.000 0.546 140 Y N 2.521 122.327 120.300 -0.823 0.000 2.097 140 Y HA -0.032 4.518 4.550 0.000 0.000 0.282 140 Y C 1.941 177.729 175.900 -0.186 0.000 1.152 140 Y CA 2.077 59.890 58.100 -0.478 0.000 1.136 140 Y CB -0.397 37.877 38.460 -0.310 0.000 0.975 140 Y HN 0.307 nan 8.280 nan 0.000 0.498 141 I N 0.078 120.653 120.570 0.008 0.000 2.127 141 I HA -0.271 3.899 4.170 0.001 0.000 0.241 141 I C -0.640 175.397 176.117 -0.133 0.000 1.075 141 I CA 1.528 62.850 61.300 0.036 0.000 1.334 141 I CB -1.540 36.546 38.000 0.143 0.000 1.040 141 I HN 0.209 nan 8.210 nan 0.000 0.405 142 P HA -0.158 nan 4.420 nan 0.000 0.215 142 P C 1.867 178.903 177.300 -0.440 0.000 1.157 142 P CA 1.644 64.629 63.100 -0.192 0.000 0.868 142 P CB -0.016 31.605 31.700 -0.130 0.000 0.788 143 I N -0.818 119.375 120.570 -0.629 0.000 2.286 143 I HA -0.250 3.920 4.170 0.001 0.000 0.248 143 I C 2.330 178.095 176.117 -0.586 0.000 1.115 143 I CA 1.432 62.349 61.300 -0.639 0.000 1.392 143 I CB -0.764 36.881 38.000 -0.592 0.000 1.065 143 I HN -0.090 nan 8.210 nan 0.000 0.418 144 A N 0.075 122.522 122.820 -0.622 0.000 1.877 144 A HA -0.303 4.017 4.320 0.001 0.000 0.216 144 A C 2.200 179.517 177.584 -0.444 0.000 1.186 144 A CA 2.099 53.795 52.037 -0.567 0.000 0.620 144 A CB -0.967 17.757 19.000 -0.460 0.000 0.822 144 A HN 0.503 nan 8.150 nan 0.000 0.443 145 H N -0.555 118.231 119.070 -0.474 0.000 2.353 145 H HA -0.028 4.529 4.556 0.001 0.000 0.300 145 H C 1.988 177.119 175.328 -0.328 0.000 1.090 145 H CA 2.223 58.025 56.048 -0.410 0.000 1.327 145 H CB -0.233 29.352 29.762 -0.295 0.000 1.383 145 H HN 0.416 nan 8.280 nan 0.000 0.508 146 M N -0.919 118.478 119.600 -0.339 0.000 2.213 146 M HA -0.140 4.341 4.480 0.001 0.000 0.263 146 M C 1.978 178.073 176.300 -0.341 0.000 1.062 146 M CA 1.186 56.266 55.300 -0.367 0.000 1.105 146 M CB 0.201 32.575 32.600 -0.377 0.000 1.385 146 M HN 0.200 nan 8.290 nan 0.000 0.417 147 V N -2.124 117.558 119.914 -0.386 0.000 2.436 147 V HA -0.098 4.023 4.120 0.001 0.000 0.240 147 V C 1.408 177.390 176.094 -0.186 0.000 1.040 147 V CA 1.122 63.199 62.300 -0.371 0.000 1.052 147 V CB -0.183 31.262 31.823 -0.630 0.000 0.707 147 V HN 0.547 nan 8.190 nan 0.000 0.469 148 W N 0.213 121.443 121.300 -0.117 0.000 3.127 148 W HA 0.479 5.140 4.660 0.001 0.000 0.344 148 W C 1.621 178.154 176.519 0.024 0.000 1.151 148 W CA 0.303 57.660 57.345 0.020 0.000 1.765 148 W CB -0.245 29.330 29.460 0.192 0.000 1.085 148 W HN 0.330 nan 8.180 nan 0.000 0.596 149 G N -0.431 108.296 108.800 -0.122 0.000 3.707 149 G HA2 0.368 4.328 3.960 0.001 0.000 0.286 149 G HA3 0.368 4.328 3.960 0.001 0.000 0.286 149 G C 1.169 175.780 174.900 -0.481 0.000 1.112 149 G CA 0.120 45.029 45.100 -0.318 0.000 0.861 149 G HN 0.225 nan 8.290 nan 0.000 0.534 150 G N -0.718 107.925 108.800 -0.262 0.000 2.160 150 G HA2 -0.046 3.914 3.960 0.001 0.000 0.251 150 G HA3 -0.046 3.914 3.960 0.001 0.000 0.251 150 G C 0.849 175.560 174.900 -0.316 0.000 1.008 150 G CA 0.400 45.371 45.100 -0.214 0.000 0.724 150 G HN 0.997 nan 8.290 nan 0.000 0.514 151 G N -1.124 107.394 108.800 -0.470 0.000 2.494 151 G HA2 0.553 4.513 3.960 0.001 0.000 0.270 151 G HA3 0.553 4.513 3.960 0.001 0.000 0.270 151 G C 1.340 176.070 174.900 -0.283 0.000 1.423 151 G CA 0.127 44.986 45.100 -0.402 0.000 1.055 151 G HN 0.928 nan 8.290 nan 0.000 0.536 152 L N -0.499 120.512 121.223 -0.352 0.000 1.991 152 L HA -0.188 4.153 4.340 0.001 0.000 0.221 152 L C 2.794 179.625 176.870 -0.065 0.000 1.079 152 L CA 1.949 56.637 54.840 -0.254 0.000 0.778 152 L CB -0.572 41.229 42.059 -0.430 0.000 0.893 152 L HN 0.495 nan 8.230 nan 0.000 0.437 153 L N -1.163 119.980 121.223 -0.132 0.000 2.056 153 L HA -0.152 4.188 4.340 0.001 0.000 0.207 153 L C 2.673 179.535 176.870 -0.014 0.000 1.078 153 L CA 1.129 55.927 54.840 -0.070 0.000 0.749 153 L CB -0.988 40.995 42.059 -0.127 0.000 0.901 153 L HN 0.419 nan 8.230 nan 0.000 0.433 154 A N 0.270 123.056 122.820 -0.057 0.000 1.933 154 A HA -0.219 4.101 4.320 0.001 0.000 0.218 154 A C 2.518 180.099 177.584 -0.005 0.000 1.175 154 A CA 1.907 53.936 52.037 -0.013 0.000 0.628 154 A CB -0.693 18.289 19.000 -0.031 0.000 0.814 154 A HN 0.510 nan 8.150 nan 0.000 0.444 155 S N -1.061 114.618 115.700 -0.034 0.000 2.474 155 S HA -0.173 4.298 4.470 0.001 0.000 0.235 155 S C 1.337 175.845 174.600 -0.154 0.000 0.997 155 S CA 1.506 59.655 58.200 -0.085 0.000 0.949 155 S CB -0.610 62.519 63.200 -0.118 0.000 0.766 155 S HN 0.693 nan 8.310 nan 0.000 0.517 156 H N 0.504 119.555 119.070 -0.031 0.000 2.549 156 H HA 0.446 5.003 4.556 0.001 0.000 0.279 156 H C 1.406 176.753 175.328 0.032 0.000 1.018 156 H CA 0.080 56.130 56.048 0.003 0.000 1.175 156 H CB 0.374 30.126 29.762 -0.016 0.000 1.485 156 H HN 0.517 nan 8.280 nan 0.000 0.543 157 G N 0.618 109.475 108.800 0.094 0.000 2.182 157 G HA2 -0.225 3.735 3.960 0.001 0.000 0.248 157 G HA3 -0.225 3.735 3.960 0.001 0.000 0.248 157 G C 0.350 175.294 174.900 0.074 0.000 1.042 157 G CA 0.092 45.243 45.100 0.084 0.000 0.775 157 G HN 0.659 nan 8.290 nan 0.000 0.501 158 A N -0.390 122.469 122.820 0.064 0.000 2.462 158 A HA 0.652 4.972 4.320 0.001 0.000 0.243 158 A C 0.607 178.234 177.584 0.071 0.000 1.076 158 A CA 0.198 52.263 52.037 0.047 0.000 0.773 158 A CB 0.389 19.402 19.000 0.021 0.000 1.010 158 A HN 0.977 nan 8.150 nan 0.000 0.493 159 L N 2.404 123.664 121.223 0.061 0.000 2.280 159 L HA 0.453 4.793 4.340 0.001 0.000 0.287 159 L C -0.598 176.437 176.870 0.276 0.000 1.023 159 L CA -0.313 54.562 54.840 0.058 0.000 0.819 159 L CB 1.377 43.290 42.059 -0.244 0.000 1.212 159 L HN 0.727 nan 8.230 nan 0.000 0.420 160 D N 2.285 122.983 120.400 0.495 0.000 2.445 160 D HA 0.076 4.716 4.640 0.001 0.000 0.236 160 D C 0.210 176.955 176.300 0.741 0.000 1.315 160 D CA -0.430 53.882 54.000 0.519 0.000 0.924 160 D CB 0.692 41.650 40.800 0.264 0.000 1.447 160 D HN 0.271 nan 8.370 nan 0.000 0.532 161 F N 2.891 123.199 119.950 0.597 0.000 2.046 161 F HA -0.019 4.508 4.527 0.001 0.000 0.297 161 F C 1.883 177.924 175.800 0.401 0.000 1.123 161 F CA 2.244 60.453 58.000 0.348 0.000 1.199 161 F CB 0.362 39.358 39.000 -0.007 0.000 0.972 161 F HN 0.430 nan 8.300 nan 0.000 0.474 162 A N -1.553 121.646 122.820 0.632 0.000 2.469 162 A HA 0.548 4.869 4.320 0.001 0.000 0.245 162 A C 0.947 179.081 177.584 0.917 0.000 1.221 162 A CA 0.466 52.848 52.037 0.574 0.000 0.946 162 A CB -0.293 19.044 19.000 0.563 0.000 1.049 162 A HN 0.912 nan 8.150 nan 0.000 0.529 163 G N -1.164 108.181 108.800 0.908 0.000 2.338 163 G HA2 0.058 4.018 3.960 0.001 0.000 0.115 163 G HA3 0.058 4.018 3.960 0.001 0.000 0.115 163 G C 0.904 176.078 174.900 0.455 0.000 1.053 163 G CA 0.156 45.637 45.100 0.635 0.000 0.733 163 G HN 1.026 nan 8.290 nan 0.000 0.482 164 G N 0.010 109.042 108.800 0.386 0.000 2.422 164 G HA2 0.107 4.067 3.960 0.001 0.000 0.218 164 G HA3 0.107 4.067 3.960 0.001 0.000 0.218 164 G C 1.774 176.812 174.900 0.230 0.000 1.140 164 G CA 2.529 47.820 45.100 0.318 0.000 0.775 164 G HN 1.381 nan 8.290 nan 0.000 0.545 165 T N -1.317 113.318 114.554 0.134 0.000 2.898 165 T HA 0.014 4.364 4.350 0.001 0.000 0.241 165 T C 2.306 177.017 174.700 0.017 0.000 1.024 165 T CA 1.115 63.249 62.100 0.057 0.000 1.174 165 T CB -0.635 68.212 68.868 -0.036 0.000 0.873 165 T HN -0.039 nan 8.240 nan 0.000 0.422 166 V N 1.886 121.706 119.914 -0.157 0.000 2.250 166 V HA -0.174 3.947 4.120 0.001 0.000 0.250 166 V C 2.782 178.953 176.094 0.128 0.000 1.060 166 V CA 2.054 64.202 62.300 -0.254 0.000 1.030 166 V CB -0.943 30.445 31.823 -0.724 0.000 0.643 166 V HN 0.441 nan 8.190 nan 0.000 0.445 167 V N -1.123 118.984 119.914 0.321 0.000 2.502 167 V HA 0.007 4.128 4.120 0.001 0.000 0.234 167 V C 2.415 178.741 176.094 0.387 0.000 1.072 167 V CA 1.020 63.600 62.300 0.467 0.000 1.094 167 V CB -0.530 31.637 31.823 0.572 0.000 0.761 167 V HN 0.407 nan 8.190 nan 0.000 0.489 168 E N 0.653 121.079 120.200 0.376 0.000 2.005 168 E HA -0.190 4.160 4.350 0.001 0.000 0.198 168 E C 2.147 178.944 176.600 0.328 0.000 1.010 168 E CA 1.809 58.431 56.400 0.370 0.000 0.825 168 E CB -0.527 29.409 29.700 0.393 0.000 0.769 168 E HN 0.520 nan 8.360 nan 0.000 0.456 169 I N 1.582 122.320 120.570 0.281 0.000 2.286 169 I HA -0.256 3.914 4.170 0.001 0.000 0.248 169 I C 2.364 178.640 176.117 0.265 0.000 1.115 169 I CA 0.819 62.268 61.300 0.248 0.000 1.392 169 I CB -0.384 37.735 38.000 0.198 0.000 1.065 169 I HN 0.075 nan 8.210 nan 0.000 0.418 170 N N 1.466 120.342 118.700 0.295 0.000 2.018 170 N HA -0.198 4.542 4.740 0.001 0.000 0.196 170 N C 1.829 177.643 175.510 0.506 0.000 1.043 170 N CA 2.217 55.517 53.050 0.416 0.000 0.856 170 N CB -0.216 38.519 38.487 0.415 0.000 1.042 170 N HN 0.360 nan 8.380 nan 0.000 0.423 171 A N 0.110 123.168 122.820 0.397 0.000 1.968 171 A HA 0.179 4.499 4.320 0.001 0.000 0.217 171 A C 2.337 179.930 177.584 0.016 0.000 1.169 171 A CA 1.733 53.857 52.037 0.145 0.000 0.638 171 A CB -0.915 18.177 19.000 0.153 0.000 0.812 171 A HN 0.421 nan 8.150 nan 0.000 0.446 172 A N 0.260 123.181 122.820 0.167 0.000 1.902 172 A HA -0.085 4.235 4.320 0.001 0.000 0.217 172 A C 2.009 179.595 177.584 0.004 0.000 1.181 172 A CA 1.659 53.804 52.037 0.181 0.000 0.623 172 A CB -0.468 18.718 19.000 0.311 0.000 0.818 172 A HN 0.408 nan 8.150 nan 0.000 0.443 173 I N -0.124 120.501 120.570 0.092 0.000 2.202 173 I HA -0.207 3.963 4.170 0.001 0.000 0.242 173 I C 2.981 179.117 176.117 0.032 0.000 1.091 173 I CA 1.406 62.764 61.300 0.098 0.000 1.368 173 I CB -1.676 36.438 38.000 0.190 0.000 1.058 173 I HN 0.362 nan 8.210 nan 0.000 0.410 174 A N 1.161 123.988 122.820 0.011 0.000 1.908 174 A HA -0.152 4.169 4.320 0.001 0.000 0.218 174 A C 2.497 179.924 177.584 -0.261 0.000 1.181 174 A CA 2.100 54.077 52.037 -0.100 0.000 0.627 174 A CB -1.354 17.288 19.000 -0.596 0.000 0.818 174 A HN 0.447 nan 8.150 nan 0.000 0.445 175 G N -0.503 107.873 108.800 -0.707 0.000 2.402 175 G HA2 -0.084 3.876 3.960 0.001 0.000 0.216 175 G HA3 -0.084 3.876 3.960 0.001 0.000 0.216 175 G C 1.542 175.981 174.900 -0.767 0.000 1.162 175 G CA 0.929 45.193 45.100 -1.392 0.000 0.777 175 G HN 0.432 nan 8.290 nan 0.000 0.539 176 L N 0.278 121.249 121.223 -0.419 0.000 2.093 176 L HA -0.051 4.289 4.340 0.001 0.000 0.208 176 L C 2.947 179.816 176.870 -0.002 0.000 1.085 176 L CA 0.261 55.064 54.840 -0.061 0.000 0.755 176 L CB -0.337 41.747 42.059 0.042 0.000 0.904 176 L HN 0.077 nan 8.230 nan 0.000 0.435 177 V N 0.092 120.014 119.914 0.013 0.000 2.307 177 V HA -0.201 3.919 4.120 0.001 0.000 0.245 177 V C 2.631 178.677 176.094 -0.081 0.000 1.045 177 V CA 1.996 64.367 62.300 0.117 0.000 1.024 177 V CB -1.248 30.751 31.823 0.293 0.000 0.651 177 V HN 0.559 nan 8.190 nan 0.000 0.449 178 G N -0.142 108.454 108.800 -0.339 0.000 2.491 178 G HA2 -0.286 3.674 3.960 0.001 0.000 0.218 178 G HA3 -0.286 3.674 3.960 0.001 0.000 0.218 178 G C 1.792 176.456 174.900 -0.394 0.000 1.180 178 G CA 1.223 45.839 45.100 -0.808 0.000 0.774 178 G HN 0.621 nan 8.290 nan 0.000 0.562 179 A N -0.275 122.451 122.820 -0.156 0.000 1.940 179 A HA -0.090 4.230 4.320 0.001 0.000 0.219 179 A C 2.233 179.813 177.584 -0.006 0.000 1.176 179 A CA 1.905 53.925 52.037 -0.029 0.000 0.631 179 A CB -0.653 18.408 19.000 0.101 0.000 0.814 179 A HN 0.530 nan 8.150 nan 0.000 0.446 180 Y N 0.579 120.825 120.300 -0.091 0.000 2.163 180 Y HA -0.113 4.437 4.550 -0.001 0.000 0.288 180 Y C 1.890 177.747 175.900 -0.071 0.000 1.136 180 Y CA 1.890 59.959 58.100 -0.051 0.000 1.147 180 Y CB -0.306 38.148 38.460 -0.010 0.000 0.987 180 Y HN 0.215 nan 8.280 nan 0.000 0.509 181 L N -0.559 120.535 121.223 -0.215 0.000 2.217 181 L HA 0.029 4.370 4.340 0.001 0.000 0.211 181 L C 1.006 177.709 176.870 -0.278 0.000 1.107 181 L CA 0.358 55.021 54.840 -0.296 0.000 0.783 181 L CB -0.608 41.301 42.059 -0.249 0.000 0.919 181 L HN 0.300 nan 8.230 nan 0.000 0.442 196 H N 0.277 119.315 119.070 -0.055 0.000 2.512 196 H HA 0.154 4.711 4.556 0.000 0.000 0.279 196 H C -0.266 175.036 175.328 -0.042 0.000 0.999 196 H CA 0.695 56.718 56.048 -0.043 0.000 1.283 196 H CB 0.681 30.422 29.762 -0.036 0.000 1.421 196 H HN 0.200 nan 8.280 nan 0.000 0.554 197 N N 0.735 119.057 118.700 -0.629 0.000 2.710 197 N HA 0.122 4.862 4.740 0.001 0.000 0.244 197 N C 0.526 175.862 175.510 -0.289 0.000 1.321 197 N CA -0.241 52.546 53.050 -0.438 0.000 0.758 197 N CB 0.606 38.747 38.487 -0.576 0.000 1.284 197 N HN 0.177 nan 8.380 nan 0.000 0.530 198 L N 1.771 122.884 121.223 -0.183 0.000 2.083 198 L HA 0.027 4.367 4.340 0.001 0.000 0.209 198 L C -0.703 176.126 176.870 -0.068 0.000 1.083 198 L CA 1.157 55.916 54.840 -0.135 0.000 0.752 198 L CB -0.965 41.030 42.059 -0.107 0.000 0.899 198 L HN 0.336 nan 8.230 nan 0.000 0.433 199 P HA -0.245 nan 4.420 nan 0.000 0.216 199 P C 1.803 179.137 177.300 0.057 0.000 1.150 199 P CA 1.638 64.751 63.100 0.023 0.000 0.843 199 P CB -0.006 31.689 31.700 -0.009 0.000 0.787 200 M N -0.959 118.617 119.600 -0.041 0.000 2.132 200 M HA -0.124 4.357 4.480 0.001 0.000 0.263 200 M C 1.638 177.889 176.300 -0.082 0.000 1.065 200 M CA 1.748 57.012 55.300 -0.060 0.000 1.122 200 M CB -0.414 32.119 32.600 -0.112 0.000 1.365 200 M HN -0.240 nan 8.290 nan 0.000 0.411 201 V N 0.583 120.412 119.914 -0.142 0.000 2.343 201 V HA -0.279 3.841 4.120 0.001 0.000 0.247 201 V C 2.182 178.234 176.094 -0.070 0.000 1.051 201 V CA 2.063 64.228 62.300 -0.224 0.000 1.036 201 V CB -1.108 30.505 31.823 -0.350 0.000 0.654 201 V HN 0.613 nan 8.190 nan 0.000 0.451 202 F N 1.651 121.528 119.950 -0.122 0.000 2.134 202 F HA -0.204 4.323 4.527 0.001 0.000 0.299 202 F C 2.380 178.156 175.800 -0.040 0.000 1.097 202 F CA 2.279 60.233 58.000 -0.076 0.000 1.264 202 F CB -0.681 38.272 39.000 -0.078 0.000 1.001 202 F HN 0.123 nan 8.300 nan 0.000 0.479 203 T N 0.036 114.503 114.554 -0.145 0.000 2.746 203 T HA -0.101 4.250 4.350 0.001 0.000 0.267 203 T C 2.174 176.738 174.700 -0.226 0.000 1.039 203 T CA 1.420 63.388 62.100 -0.220 0.000 1.142 203 T CB -1.231 67.617 68.868 -0.034 0.000 0.866 203 T HN 0.474 nan 8.240 nan 0.000 0.444 204 G N 1.212 109.937 108.800 -0.125 0.000 2.418 204 G HA2 -0.210 3.750 3.960 0.001 0.000 0.217 204 G HA3 -0.210 3.750 3.960 0.001 0.000 0.217 204 G C 1.725 176.571 174.900 -0.089 0.000 1.158 204 G CA 1.414 46.468 45.100 -0.077 0.000 0.771 204 G HN 0.452 nan 8.290 nan 0.000 0.545 205 T N 1.791 116.324 114.554 -0.035 0.000 2.684 205 T HA -0.042 4.308 4.350 0.001 0.000 0.267 205 T C 2.819 177.410 174.700 -0.181 0.000 1.036 205 T CA 1.648 63.702 62.100 -0.076 0.000 1.148 205 T CB -0.438 68.395 68.868 -0.059 0.000 0.863 205 T HN 0.381 nan 8.240 nan 0.000 0.436 206 A N 1.163 123.769 122.820 -0.355 0.000 1.883 206 A HA -0.055 4.265 4.320 0.001 0.000 0.217 206 A C 2.313 179.833 177.584 -0.107 0.000 1.186 206 A CA 1.396 53.262 52.037 -0.285 0.000 0.624 206 A CB -0.857 17.822 19.000 -0.535 0.000 0.822 206 A HN 0.527 nan 8.150 nan 0.000 0.444 207 I N -0.487 119.945 120.570 -0.231 0.000 2.286 207 I HA -0.254 3.916 4.170 0.001 0.000 0.248 207 I C 2.362 178.291 176.117 -0.313 0.000 1.115 207 I CA 1.008 62.072 61.300 -0.394 0.000 1.392 207 I CB -0.273 37.328 38.000 -0.665 0.000 1.065 207 I HN 0.300 nan 8.210 nan 0.000 0.418 208 L N -0.674 120.423 121.223 -0.209 0.000 2.046 208 L HA -0.256 4.084 4.340 0.001 0.000 0.208 208 L C 2.665 179.581 176.870 0.075 0.000 1.077 208 L CA 1.390 56.154 54.840 -0.126 0.000 0.747 208 L CB -0.751 41.240 42.059 -0.113 0.000 0.896 208 L HN 0.247 nan 8.230 nan 0.000 0.432 209 Y N 0.769 121.037 120.300 -0.053 0.000 2.097 209 Y HA -0.291 4.259 4.550 0.000 0.000 0.282 209 Y C 2.459 178.359 175.900 -0.000 0.000 1.152 209 Y CA 1.567 59.624 58.100 -0.072 0.000 1.136 209 Y CB -0.137 38.271 38.460 -0.086 0.000 0.975 209 Y HN -0.033 nan 8.280 nan 0.000 0.498 210 I N 0.339 120.923 120.570 0.023 0.000 2.179 210 I HA -0.208 3.962 4.170 0.001 0.000 0.242 210 I C 2.696 178.922 176.117 0.182 0.000 1.088 210 I CA 1.651 63.032 61.300 0.135 0.000 1.357 210 I CB -2.092 36.059 38.000 0.253 0.000 1.051 210 I HN 0.418 nan 8.210 nan 0.000 0.409 211 G N -0.517 108.349 108.800 0.110 0.000 2.448 211 G HA2 -0.255 3.706 3.960 0.001 0.000 0.219 211 G HA3 -0.255 3.706 3.960 0.001 0.000 0.219 211 G C 1.529 176.452 174.900 0.040 0.000 1.127 211 G CA -0.052 45.115 45.100 0.112 0.000 0.766 211 G HN 0.363 nan 8.290 nan 0.000 0.552 212 W N 0.642 121.784 121.300 -0.263 0.000 2.468 212 W HA 0.040 4.700 4.660 0.000 0.000 0.262 212 W C 1.657 177.972 176.519 -0.340 0.000 1.241 212 W CA 0.308 57.435 57.345 -0.363 0.000 1.232 212 W CB -0.351 28.783 29.460 -0.542 0.000 1.124 212 W HN 0.265 nan 8.180 nan 0.000 0.597 213 F N -0.027 119.934 119.950 0.019 0.000 2.234 213 F HA -0.037 4.490 4.527 0.001 0.000 0.299 213 F C 2.630 178.494 175.800 0.106 0.000 1.087 213 F CA 1.648 59.576 58.000 -0.120 0.000 1.340 213 F CB -1.283 37.463 39.000 -0.423 0.000 1.031 213 F HN -0.190 nan 8.300 nan 0.000 0.500 214 G N -0.843 108.126 108.800 0.281 0.000 2.408 214 G HA2 -0.267 3.694 3.960 0.001 0.000 0.217 214 G HA3 -0.267 3.694 3.960 0.001 0.000 0.217 214 G C 1.646 176.776 174.900 0.382 0.000 1.150 214 G CA 0.440 45.684 45.100 0.241 0.000 0.776 214 G HN 0.322 nan 8.290 nan 0.000 0.542 215 F N 1.899 121.928 119.950 0.132 0.000 2.051 215 F HA -0.088 4.439 4.527 0.000 0.000 0.296 215 F C 2.514 178.541 175.800 0.379 0.000 1.122 215 F CA 1.933 59.974 58.000 0.068 0.000 1.201 215 F CB -0.033 38.707 39.000 -0.433 0.000 0.978 215 F HN 0.051 nan 8.300 nan 0.000 0.472 216 N N 0.479 119.547 118.700 0.612 0.000 2.124 216 N HA -0.050 4.690 4.740 0.001 0.000 0.188 216 N C 1.938 177.755 175.510 0.512 0.000 1.045 216 N CA 1.663 55.051 53.050 0.564 0.000 0.846 216 N CB -1.144 37.614 38.487 0.452 0.000 1.020 216 N HN 0.345 nan 8.380 nan 0.000 0.432 217 A N 0.466 123.559 122.820 0.455 0.000 1.902 217 A HA -0.008 4.313 4.320 0.001 0.000 0.217 217 A C 2.271 180.141 177.584 0.476 0.000 1.181 217 A CA 1.942 54.298 52.037 0.533 0.000 0.623 217 A CB -1.288 18.139 19.000 0.711 0.000 0.818 217 A HN 0.375 nan 8.150 nan 0.000 0.443 218 G N -0.987 107.968 108.800 0.259 0.000 2.470 218 G HA2 -0.108 3.853 3.960 0.001 0.000 0.220 218 G HA3 -0.108 3.853 3.960 0.001 0.000 0.220 218 G C 1.572 176.351 174.900 -0.201 0.000 1.121 218 G CA 1.130 46.153 45.100 -0.129 0.000 0.766 218 G HN 0.473 nan 8.290 nan 0.000 0.553 219 S N 0.456 116.236 115.700 0.133 0.000 2.547 219 S HA 0.135 4.605 4.470 0.001 0.000 0.235 219 S C 2.468 176.838 174.600 -0.383 0.000 0.980 219 S CA 0.679 58.772 58.200 -0.178 0.000 0.941 219 S CB -0.057 62.984 63.200 -0.265 0.000 0.763 219 S HN 0.579 nan 8.310 nan 0.000 0.532 220 A N 0.550 123.383 122.820 0.022 0.000 2.119 220 A HA 0.423 4.743 4.320 0.001 0.000 0.216 220 A C 1.879 179.445 177.584 -0.030 0.000 1.152 220 A CA 0.953 53.066 52.037 0.126 0.000 0.708 220 A CB -0.795 18.391 19.000 0.311 0.000 0.805 220 A HN 0.814 nan 8.150 nan 0.000 0.460 221 G N -1.927 106.797 108.800 -0.125 0.000 2.168 221 G HA2 -0.176 3.784 3.960 0.001 0.000 0.263 221 G HA3 -0.176 3.784 3.960 0.001 0.000 0.263 221 G C 0.421 175.296 174.900 -0.042 0.000 0.977 221 G CA 1.304 46.306 45.100 -0.163 0.000 0.659 221 G HN 1.679 nan 8.290 nan 0.000 0.533 222 T N -2.196 112.397 114.554 0.066 0.000 2.827 222 T HA 0.665 5.016 4.350 0.001 0.000 0.328 222 T C -0.185 174.486 174.700 -0.049 0.000 1.598 222 T CA 0.577 62.703 62.100 0.043 0.000 1.043 222 T CB 0.998 69.854 68.868 -0.020 0.000 1.447 222 T HN 1.693 nan 8.240 nan 0.000 0.491 223 A N 3.861 126.523 122.820 -0.263 0.000 3.118 223 A HA 0.464 4.785 4.320 0.001 0.000 0.256 223 A C 0.618 178.006 177.584 -0.326 0.000 1.667 223 A CA -0.429 51.220 52.037 -0.647 0.000 1.338 223 A CB -1.329 17.238 19.000 -0.722 0.000 1.127 223 A HN 0.786 nan 8.150 nan 0.000 0.634 224 N N -0.472 118.113 118.700 -0.191 0.000 2.938 224 N HA 0.132 4.873 4.740 0.001 0.000 0.335 224 N C 0.926 176.388 175.510 -0.081 0.000 1.358 224 N CA -0.115 52.870 53.050 -0.108 0.000 0.812 224 N CB 0.143 38.599 38.487 -0.051 0.000 1.233 224 N HN 0.209 nan 8.380 nan 0.000 0.593 225 E N -0.249 119.924 120.200 -0.044 0.000 2.274 225 E HA -0.093 4.257 4.350 0.001 0.000 0.194 225 E C 1.316 177.911 176.600 -0.008 0.000 0.996 225 E CA 0.770 57.153 56.400 -0.029 0.000 0.840 225 E CB -0.223 29.464 29.700 -0.022 0.000 0.772 225 E HN 0.561 nan 8.360 nan 0.000 0.491 226 I N 1.733 122.309 120.570 0.011 0.000 2.406 226 I HA -0.048 4.122 4.170 0.001 0.000 0.249 226 I C 2.627 178.778 176.117 0.058 0.000 1.122 226 I CA 0.998 62.307 61.300 0.014 0.000 1.431 226 I CB -1.470 36.570 38.000 0.067 0.000 1.087 226 I HN 0.119 nan 8.210 nan 0.000 0.424 227 A N 1.269 124.154 122.820 0.108 0.000 1.877 227 A HA -0.117 4.203 4.320 0.001 0.000 0.216 227 A C 2.601 180.301 177.584 0.194 0.000 1.186 227 A CA 2.030 54.189 52.037 0.203 0.000 0.620 227 A CB -0.818 18.246 19.000 0.106 0.000 0.822 227 A HN 0.384 nan 8.150 nan 0.000 0.443 228 A N -0.459 122.404 122.820 0.072 0.000 1.908 228 A HA -0.090 4.230 4.320 0.001 0.000 0.218 228 A C 2.172 179.829 177.584 0.121 0.000 1.181 228 A CA 1.864 53.938 52.037 0.063 0.000 0.627 228 A CB -0.660 18.325 19.000 -0.025 0.000 0.818 228 A HN 0.784 nan 8.150 nan 0.000 0.445 229 L N -0.392 120.870 121.223 0.064 0.000 2.056 229 L HA -0.010 4.331 4.340 0.001 0.000 0.207 229 L C 2.640 179.543 176.870 0.055 0.000 1.078 229 L CA 2.243 57.105 54.840 0.037 0.000 0.749 229 L CB -0.739 41.301 42.059 -0.030 0.000 0.901 229 L HN 0.320 nan 8.230 nan 0.000 0.433 230 A N -1.053 121.791 122.820 0.040 0.000 1.933 230 A HA -0.231 4.089 4.320 0.001 0.000 0.218 230 A C 2.229 179.938 177.584 0.208 0.000 1.175 230 A CA 1.754 53.823 52.037 0.052 0.000 0.628 230 A CB -1.126 17.920 19.000 0.077 0.000 0.814 230 A HN 0.525 nan 8.150 nan 0.000 0.444 231 F N 0.601 120.666 119.950 0.192 0.000 2.051 231 F HA -0.177 4.350 4.527 0.001 0.000 0.296 231 F C 2.396 178.348 175.800 0.253 0.000 1.122 231 F CA 2.144 60.321 58.000 0.294 0.000 1.201 231 F CB -0.428 38.693 39.000 0.201 0.000 0.978 231 F HN 0.033 nan 8.300 nan 0.000 0.472 232 V N 0.697 120.883 119.914 0.453 0.000 2.343 232 V HA -0.327 3.794 4.120 0.001 0.000 0.247 232 V C 2.123 178.330 176.094 0.190 0.000 1.051 232 V CA 2.083 64.564 62.300 0.302 0.000 1.036 232 V CB -0.844 31.085 31.823 0.178 0.000 0.654 232 V HN 0.367 nan 8.190 nan 0.000 0.451 233 N N -0.047 118.730 118.700 0.128 0.000 2.223 233 N HA -0.124 4.616 4.740 0.001 0.000 0.185 233 N C 1.897 177.432 175.510 0.042 0.000 1.016 233 N CA 1.772 54.858 53.050 0.060 0.000 0.863 233 N CB -0.486 38.013 38.487 0.020 0.000 0.983 233 N HN 0.459 nan 8.380 nan 0.000 0.429 234 T N 0.760 115.345 114.554 0.052 0.000 2.737 234 T HA -0.031 4.319 4.350 0.001 0.000 0.265 234 T C 2.174 176.895 174.700 0.035 0.000 1.038 234 T CA 0.760 62.821 62.100 -0.065 0.000 1.144 234 T CB -0.269 68.458 68.868 -0.236 0.000 0.866 234 T HN -0.046 nan 8.240 nan 0.000 0.434 235 V N 1.313 121.376 119.914 0.248 0.000 2.295 235 V HA -0.159 3.961 4.120 0.001 0.000 0.246 235 V C 2.665 178.865 176.094 0.177 0.000 1.049 235 V CA 1.470 63.971 62.300 0.335 0.000 1.024 235 V CB -0.687 31.342 31.823 0.345 0.000 0.648 235 V HN 0.311 nan 8.190 nan 0.000 0.447 236 V N 0.204 120.188 119.914 0.117 0.000 2.307 236 V HA -0.230 3.891 4.120 0.001 0.000 0.245 236 V C 2.680 178.780 176.094 0.011 0.000 1.045 236 V CA 2.031 64.364 62.300 0.056 0.000 1.024 236 V CB -1.168 30.678 31.823 0.039 0.000 0.651 236 V HN 0.556 nan 8.190 nan 0.000 0.449 237 A N -0.185 122.626 122.820 -0.015 0.000 1.930 237 A HA -0.199 4.121 4.320 0.001 0.000 0.217 237 A C 2.390 179.934 177.584 -0.066 0.000 1.175 237 A CA 2.377 54.382 52.037 -0.053 0.000 0.627 237 A CB -0.941 18.014 19.000 -0.076 0.000 0.815 237 A HN 0.513 nan 8.150 nan 0.000 0.443 238 T N 0.428 114.939 114.554 -0.071 0.000 2.708 238 T HA -0.043 4.307 4.350 0.001 0.000 0.266 238 T C 2.237 176.893 174.700 -0.073 0.000 1.037 238 T CA 1.654 63.694 62.100 -0.101 0.000 1.146 238 T CB -0.474 68.365 68.868 -0.047 0.000 0.865 238 T HN 0.593 nan 8.240 nan 0.000 0.435 239 A N 1.502 124.306 122.820 -0.027 0.000 1.902 239 A HA 0.172 4.492 4.320 0.001 0.000 0.217 239 A C 2.656 180.232 177.584 -0.014 0.000 1.181 239 A CA 1.820 53.844 52.037 -0.022 0.000 0.623 239 A CB -1.134 17.873 19.000 0.011 0.000 0.818 239 A HN 0.509 nan 8.150 nan 0.000 0.443 240 A N -0.340 122.473 122.820 -0.013 0.000 1.972 240 A HA 0.196 4.517 4.320 0.001 0.000 0.219 240 A C 2.423 180.015 177.584 0.013 0.000 1.169 240 A CA 1.956 53.987 52.037 -0.010 0.000 0.635 240 A CB -0.804 18.180 19.000 -0.027 0.000 0.810 240 A HN 1.013 nan 8.150 nan 0.000 0.446 241 A N -0.340 122.486 122.820 0.009 0.000 1.968 241 A HA 0.068 4.388 4.320 0.001 0.000 0.217 241 A C 2.064 179.709 177.584 0.102 0.000 1.169 241 A CA 1.175 53.245 52.037 0.055 0.000 0.638 241 A CB -0.473 18.536 19.000 0.014 0.000 0.812 241 A HN 0.466 nan 8.150 nan 0.000 0.446 242 I N -0.140 120.449 120.570 0.032 0.000 2.179 242 I HA -0.261 3.910 4.170 0.001 0.000 0.242 242 I C 2.317 178.499 176.117 0.108 0.000 1.088 242 I CA 1.181 62.502 61.300 0.035 0.000 1.357 242 I CB -0.277 37.703 38.000 -0.034 0.000 1.051 242 I HN 0.293 nan 8.210 nan 0.000 0.409 243 L N 0.103 121.374 121.223 0.080 0.000 2.046 243 L HA -0.116 4.224 4.340 0.001 0.000 0.208 243 L C 2.682 179.652 176.870 0.168 0.000 1.077 243 L CA 1.489 56.388 54.840 0.099 0.000 0.747 243 L CB -1.293 40.788 42.059 0.038 0.000 0.896 243 L HN 0.318 nan 8.230 nan 0.000 0.432 244 G N -0.498 108.394 108.800 0.154 0.000 2.433 244 G HA2 -0.291 3.669 3.960 0.001 0.000 0.216 244 G HA3 -0.291 3.669 3.960 0.001 0.000 0.216 244 G C 1.365 176.425 174.900 0.268 0.000 1.186 244 G CA 0.351 45.560 45.100 0.182 0.000 0.779 244 G HN 0.403 nan 8.290 nan 0.000 0.543 245 W N 1.203 122.562 121.300 0.098 0.000 2.333 245 W HA -0.097 4.564 4.660 0.000 0.000 0.316 245 W C 2.232 178.818 176.519 0.111 0.000 1.215 245 W CA 1.025 58.426 57.345 0.093 0.000 1.278 245 W CB -0.444 29.046 29.460 0.051 0.000 1.154 245 W HN 0.114 nan 8.180 nan 0.000 0.486 246 I N 0.241 121.084 120.570 0.455 0.000 2.286 246 I HA -0.292 3.878 4.170 0.001 0.000 0.248 246 I C 2.436 178.735 176.117 0.303 0.000 1.115 246 I CA 1.452 62.952 61.300 0.334 0.000 1.392 246 I CB -1.788 36.340 38.000 0.213 0.000 1.065 246 I HN -0.091 nan 8.210 nan 0.000 0.418 247 F N 1.961 122.012 119.950 0.168 0.000 2.146 247 F HA -0.080 4.447 4.527 0.000 0.000 0.298 247 F C 2.406 178.360 175.800 0.255 0.000 1.096 247 F CA 1.664 59.768 58.000 0.174 0.000 1.275 247 F CB -0.683 38.369 39.000 0.086 0.000 1.008 247 F HN 0.036 nan 8.300 nan 0.000 0.480 248 G N -0.480 108.403 108.800 0.139 0.000 2.422 248 G HA2 -0.270 3.690 3.960 0.001 0.000 0.218 248 G HA3 -0.270 3.690 3.960 0.001 0.000 0.218 248 G C 1.590 176.441 174.900 -0.081 0.000 1.146 248 G CA 0.795 45.879 45.100 -0.026 0.000 0.769 248 G HN 0.468 nan 8.290 nan 0.000 0.547 249 E N -0.661 119.549 120.200 0.017 0.000 2.072 249 E HA -0.146 4.204 4.350 0.001 0.000 0.191 249 E C 2.050 178.664 176.600 0.024 0.000 0.985 249 E CA 0.856 57.287 56.400 0.052 0.000 0.801 249 E CB -0.253 29.574 29.700 0.211 0.000 0.750 249 E HN 0.621 nan 8.360 nan 0.000 0.452 250 W N 0.980 122.205 121.300 -0.126 0.000 2.363 250 W HA -0.147 4.513 4.660 0.000 0.000 0.296 250 W C 1.996 178.375 176.519 -0.232 0.000 1.212 250 W CA 2.071 59.325 57.345 -0.152 0.000 1.260 250 W CB -0.260 29.110 29.460 -0.150 0.000 1.131 250 W HN 0.085 nan 8.180 nan 0.000 0.530 251 A N 0.079 122.686 122.820 -0.354 0.000 1.930 251 A HA -0.041 4.279 4.320 0.001 0.000 0.215 251 A C 2.021 179.349 177.584 -0.427 0.000 1.176 251 A CA 1.562 53.237 52.037 -0.604 0.000 0.632 251 A CB -0.743 17.993 19.000 -0.440 0.000 0.819 251 A HN 0.396 nan 8.150 nan 0.000 0.445 252 L N -1.954 119.108 121.223 -0.268 0.000 2.249 252 L HA 0.090 4.430 4.340 0.001 0.000 0.207 252 L C 2.435 179.199 176.870 -0.177 0.000 1.090 252 L CA 0.721 55.449 54.840 -0.187 0.000 0.802 252 L CB -0.126 41.860 42.059 -0.121 0.000 0.947 252 L HN 0.235 nan 8.230 nan 0.000 0.453 253 R N -0.722 119.675 120.500 -0.171 0.000 2.365 253 R HA 0.243 4.584 4.340 0.001 0.000 0.223 253 R C 1.284 177.481 176.300 -0.172 0.000 0.899 253 R CA 0.584 56.606 56.100 -0.129 0.000 1.059 253 R CB 0.839 31.105 30.300 -0.055 0.000 1.086 253 R HN 0.335 nan 8.270 nan 0.000 0.522 254 G N 2.067 110.681 108.800 -0.310 0.000 2.217 254 G HA2 -0.336 3.625 3.960 0.001 0.000 0.246 254 G HA3 -0.336 3.625 3.960 0.001 0.000 0.246 254 G C -0.022 174.744 174.900 -0.223 0.000 0.990 254 G CA 0.668 45.539 45.100 -0.381 0.000 0.627 254 G HN 0.396 nan 8.290 nan 0.000 0.522 255 K N -0.495 119.874 120.400 -0.051 0.000 2.587 255 K HA 0.655 4.976 4.320 0.001 0.000 0.276 255 K C -3.453 173.227 176.600 0.134 0.000 0.956 255 K CA -1.738 54.617 56.287 0.114 0.000 0.857 255 K CB 2.731 35.271 32.500 0.067 0.000 1.431 255 K HN 0.062 nan 8.250 nan 0.000 0.420 256 P HA 0.158 nan 4.420 nan 0.000 0.278 256 P C -0.841 176.509 177.300 0.083 0.000 1.266 256 P CA -0.402 62.782 63.100 0.140 0.000 0.807 256 P CB 1.314 33.094 31.700 0.133 0.000 1.094 257 S N -0.405 115.337 115.700 0.070 0.000 2.618 257 S HA 0.283 4.753 4.470 0.001 0.000 0.277 257 S C 0.646 175.240 174.600 -0.010 0.000 1.138 257 S CA -0.684 57.531 58.200 0.026 0.000 0.844 257 S CB 1.016 64.234 63.200 0.031 0.000 1.127 257 S HN 0.240 nan 8.310 nan 0.000 0.474 258 L N 1.213 122.413 121.223 -0.039 0.000 2.046 258 L HA 0.125 4.465 4.340 0.001 0.000 0.208 258 L C 2.078 178.902 176.870 -0.077 0.000 1.077 258 L CA 1.757 56.560 54.840 -0.062 0.000 0.747 258 L CB -1.083 40.928 42.059 -0.081 0.000 0.896 258 L HN 0.844 nan 8.230 nan 0.000 0.432 259 L N -0.242 120.931 121.223 -0.084 0.000 2.083 259 L HA -0.019 4.321 4.340 0.001 0.000 0.209 259 L C 2.291 179.031 176.870 -0.217 0.000 1.083 259 L CA 1.997 56.760 54.840 -0.128 0.000 0.752 259 L CB -1.416 40.588 42.059 -0.092 0.000 0.899 259 L HN 0.325 nan 8.230 nan 0.000 0.433 260 G N -1.231 107.480 108.800 -0.150 0.000 2.404 260 G HA2 -0.220 3.740 3.960 0.001 0.000 0.215 260 G HA3 -0.220 3.740 3.960 0.001 0.000 0.215 260 G C 1.618 176.194 174.900 -0.540 0.000 1.174 260 G CA 0.798 45.724 45.100 -0.289 0.000 0.780 260 G HN 0.607 nan 8.290 nan 0.000 0.537 261 A N 0.197 122.884 122.820 -0.222 0.000 1.865 261 A HA -0.127 4.193 4.320 0.001 0.000 0.217 261 A C 2.602 180.046 177.584 -0.233 0.000 1.191 261 A CA 1.951 53.888 52.037 -0.166 0.000 0.623 261 A CB -1.111 17.852 19.000 -0.061 0.000 0.826 261 A HN 0.439 nan 8.150 nan 0.000 0.444 262 C N -0.637 118.545 119.300 -0.195 0.000 2.425 262 C HA -0.043 4.417 4.460 0.001 0.000 0.277 262 C C 3.252 178.065 174.990 -0.294 0.000 1.280 262 C CA 1.193 60.115 59.018 -0.160 0.000 1.744 262 C CB -1.328 26.379 27.740 -0.055 0.000 1.989 262 C HN 0.620 nan 8.230 nan 0.000 0.491 263 S N 0.854 116.223 115.700 -0.551 0.000 2.368 263 S HA -0.058 4.413 4.470 0.001 0.000 0.225 263 S C 2.127 176.177 174.600 -0.917 0.000 1.030 263 S CA 1.500 59.188 58.200 -0.854 0.000 0.999 263 S CB -0.707 61.633 63.200 -1.434 0.000 0.844 263 S HN 0.760 nan 8.310 nan 0.000 0.459 264 G N 1.538 109.789 108.800 -0.915 0.000 2.440 264 G HA2 -0.099 3.862 3.960 0.001 0.000 0.218 264 G HA3 -0.099 3.862 3.960 0.001 0.000 0.218 264 G C 1.578 176.377 174.900 -0.168 0.000 1.154 264 G CA 0.968 45.923 45.100 -0.241 0.000 0.767 264 G HN 0.576 nan 8.290 nan 0.000 0.552 265 A N 1.037 123.714 122.820 -0.240 0.000 1.883 265 A HA -0.020 4.300 4.320 0.001 0.000 0.217 265 A C 2.345 179.753 177.584 -0.294 0.000 1.186 265 A CA 1.570 53.461 52.037 -0.242 0.000 0.624 265 A CB -0.341 18.506 19.000 -0.255 0.000 0.822 265 A HN 0.274 nan 8.150 nan 0.000 0.444 266 I N 0.037 120.427 120.570 -0.301 0.000 2.286 266 I HA -0.233 3.937 4.170 0.001 0.000 0.248 266 I C 2.922 178.825 176.117 -0.356 0.000 1.115 266 I CA 1.346 62.429 61.300 -0.361 0.000 1.392 266 I CB -1.680 36.127 38.000 -0.322 0.000 1.065 266 I HN 0.373 nan 8.210 nan 0.000 0.418 267 A N 0.962 123.659 122.820 -0.205 0.000 1.908 267 A HA -0.117 4.203 4.320 0.001 0.000 0.218 267 A C 2.516 180.033 177.584 -0.112 0.000 1.181 267 A CA 1.974 53.972 52.037 -0.065 0.000 0.627 267 A CB -1.312 17.802 19.000 0.190 0.000 0.818 267 A HN 0.424 nan 8.150 nan 0.000 0.445 268 G N -0.548 108.163 108.800 -0.148 0.000 2.403 268 G HA2 -0.066 3.894 3.960 0.001 0.000 0.216 268 G HA3 -0.066 3.894 3.960 0.001 0.000 0.216 268 G C 1.568 176.281 174.900 -0.311 0.000 1.154 268 G CA 0.876 45.877 45.100 -0.166 0.000 0.784 268 G HN 0.411 nan 8.290 nan 0.000 0.538 269 L N 0.186 121.078 121.223 -0.553 0.000 1.994 269 L HA -0.110 4.230 4.340 0.001 0.000 0.208 269 L C 3.022 179.382 176.870 -0.850 0.000 1.071 269 L CA 0.722 54.909 54.840 -1.088 0.000 0.745 269 L CB -0.485 40.482 42.059 -1.820 0.000 0.892 269 L HN 0.093 nan 8.230 nan 0.000 0.431 270 V N -0.037 119.566 119.914 -0.519 0.000 2.295 270 V HA -0.227 3.893 4.120 0.001 0.000 0.246 270 V C 2.577 178.695 176.094 0.040 0.000 1.049 270 V CA 2.083 64.349 62.300 -0.056 0.000 1.024 270 V CB -1.285 30.496 31.823 -0.069 0.000 0.648 270 V HN 0.591 nan 8.190 nan 0.000 0.447 271 G N -1.060 107.727 108.800 -0.021 0.000 2.432 271 G HA2 -0.202 3.758 3.960 0.001 0.000 0.219 271 G HA3 -0.202 3.758 3.960 0.001 0.000 0.219 271 G C 1.670 176.607 174.900 0.061 0.000 1.135 271 G CA 1.099 46.225 45.100 0.043 0.000 0.767 271 G HN 0.386 nan 8.290 nan 0.000 0.550 272 V N 0.599 120.513 119.914 -0.000 0.000 3.306 272 V HA -0.034 4.086 4.120 0.001 0.000 0.264 272 V C 2.881 179.069 176.094 0.156 0.000 1.149 272 V CA 2.016 64.338 62.300 0.037 0.000 1.143 272 V CB -0.451 31.345 31.823 -0.045 0.000 0.767 272 V HN 0.377 nan 8.190 nan 0.000 0.476 273 T N 1.956 116.651 114.554 0.235 0.000 2.597 273 T HA -0.130 4.220 4.350 0.001 0.000 0.267 273 T C -0.179 174.818 174.700 0.495 0.000 1.053 273 T CA 2.328 64.714 62.100 0.476 0.000 1.165 273 T CB -1.262 67.986 68.868 0.633 0.000 0.863 273 T HN 0.538 nan 8.240 nan 0.000 0.427 274 P HA 0.140 nan 4.420 nan 0.000 0.223 274 P C 0.858 178.453 177.300 0.492 0.000 1.151 274 P CA 1.015 64.396 63.100 0.468 0.000 0.787 274 P CB -0.045 31.875 31.700 0.367 0.000 0.788 275 A N -0.226 122.812 122.820 0.363 0.000 2.169 275 A HA 0.016 4.336 4.320 0.001 0.000 0.210 275 A C 2.353 180.026 177.584 0.148 0.000 1.168 275 A CA 0.645 52.876 52.037 0.324 0.000 0.813 275 A CB -1.640 17.505 19.000 0.241 0.000 0.861 275 A HN 0.385 nan 8.150 nan 0.000 0.481 276 C N -1.262 118.083 119.300 0.075 0.000 2.391 276 C HA -0.044 4.417 4.460 0.001 0.000 0.276 276 C C 2.397 177.133 174.990 -0.424 0.000 1.217 276 C CA 0.944 59.909 59.018 -0.089 0.000 1.766 276 C CB -1.698 26.063 27.740 0.034 0.000 2.046 276 C HN 0.520 nan 8.230 nan 0.000 0.475 277 G N -2.261 105.854 108.800 -1.141 0.000 3.141 277 G HA2 0.301 4.261 3.960 0.001 0.000 0.218 277 G HA3 0.301 4.261 3.960 0.001 0.000 0.218 277 G C 0.804 175.158 174.900 -0.909 0.000 1.170 277 G CA 0.346 44.451 45.100 -1.658 0.000 0.769 277 G HN 0.674 nan 8.290 nan 0.000 0.546 278 Y N -0.157 120.008 120.300 -0.224 0.000 2.423 278 Y HA 0.364 4.914 4.550 0.000 0.000 0.257 278 Y C 1.158 177.042 175.900 -0.027 0.000 1.087 278 Y CA -1.544 56.524 58.100 -0.053 0.000 1.258 278 Y CB 0.260 38.753 38.460 0.055 0.000 1.237 278 Y HN 0.220 nan 8.280 nan 0.000 0.517 279 I N -1.754 118.886 120.570 0.116 0.000 2.947 279 I HA 0.894 5.065 4.170 0.001 0.000 0.314 279 I C 0.630 176.778 176.117 0.052 0.000 1.028 279 I CA -1.173 60.192 61.300 0.109 0.000 1.077 279 I CB 1.399 39.481 38.000 0.135 0.000 1.274 279 I HN -0.004 nan 8.210 nan 0.000 0.485 280 G N 1.103 109.943 108.800 0.068 0.000 2.502 280 G HA2 0.409 4.369 3.960 0.001 0.000 0.305 280 G HA3 0.409 4.369 3.960 0.001 0.000 0.305 280 G C 0.897 175.811 174.900 0.023 0.000 1.190 280 G CA -0.197 44.928 45.100 0.042 0.000 0.933 280 G HN 0.942 nan 8.290 nan 0.000 0.503 281 V N -0.591 119.333 119.914 0.017 0.000 2.469 281 V HA -0.046 4.074 4.120 0.001 0.000 0.251 281 V C 2.509 178.594 176.094 -0.015 0.000 1.064 281 V CA 2.322 64.626 62.300 0.007 0.000 1.066 281 V CB -1.254 30.580 31.823 0.018 0.000 0.667 281 V HN 0.751 nan 8.190 nan 0.000 0.461 282 G N 0.781 109.580 108.800 -0.002 0.000 2.418 282 G HA2 -0.085 3.875 3.960 0.001 0.000 0.217 282 G HA3 -0.085 3.875 3.960 0.001 0.000 0.217 282 G C 1.563 176.404 174.900 -0.098 0.000 1.158 282 G CA 0.872 45.962 45.100 -0.015 0.000 0.771 282 G HN 0.768 nan 8.290 nan 0.000 0.545 283 G N 0.973 109.709 108.800 -0.106 0.000 2.422 283 G HA2 0.077 4.038 3.960 0.001 0.000 0.218 283 G HA3 0.077 4.038 3.960 0.001 0.000 0.218 283 G C 2.025 176.681 174.900 -0.406 0.000 1.146 283 G CA 1.465 46.304 45.100 -0.435 0.000 0.769 283 G HN 0.637 nan 8.290 nan 0.000 0.547 284 A N 0.504 123.220 122.820 -0.174 0.000 1.902 284 A HA 0.080 4.400 4.320 0.001 0.000 0.217 284 A C 2.364 179.871 177.584 -0.128 0.000 1.181 284 A CA 1.426 53.392 52.037 -0.118 0.000 0.623 284 A CB -0.440 18.532 19.000 -0.047 0.000 0.818 284 A HN 0.398 nan 8.150 nan 0.000 0.443 285 L N -0.514 120.638 121.223 -0.119 0.000 2.046 285 L HA -0.138 4.202 4.340 0.001 0.000 0.208 285 L C 2.354 179.147 176.870 -0.130 0.000 1.077 285 L CA 1.499 56.281 54.840 -0.096 0.000 0.747 285 L CB -0.204 41.814 42.059 -0.069 0.000 0.896 285 L HN 0.435 nan 8.230 nan 0.000 0.432 286 I N -0.499 119.941 120.570 -0.216 0.000 2.286 286 I HA -0.307 3.863 4.170 0.001 0.000 0.245 286 I C 2.344 178.325 176.117 -0.226 0.000 1.104 286 I CA 1.298 62.454 61.300 -0.241 0.000 1.397 286 I CB -0.165 37.603 38.000 -0.386 0.000 1.072 286 I HN 0.223 nan 8.210 nan 0.000 0.417 287 I N 0.733 121.128 120.570 -0.291 0.000 2.286 287 I HA -0.209 3.962 4.170 0.001 0.000 0.248 287 I C 2.621 178.690 176.117 -0.080 0.000 1.115 287 I CA 1.514 62.715 61.300 -0.165 0.000 1.392 287 I CB -0.723 37.193 38.000 -0.140 0.000 1.065 287 I HN 0.263 nan 8.210 nan 0.000 0.418 288 G N 0.369 109.118 108.800 -0.085 0.000 2.421 288 G HA2 -0.189 3.771 3.960 0.001 0.000 0.216 288 G HA3 -0.189 3.771 3.960 0.001 0.000 0.216 288 G C 1.707 176.597 174.900 -0.017 0.000 1.171 288 G CA 0.827 45.898 45.100 -0.049 0.000 0.775 288 G HN 0.220 nan 8.290 nan 0.000 0.543 289 V N 0.540 120.437 119.914 -0.028 0.000 2.261 289 V HA -0.190 3.931 4.120 0.001 0.000 0.246 289 V C 3.085 179.187 176.094 0.013 0.000 1.047 289 V CA 1.666 63.964 62.300 -0.004 0.000 1.015 289 V CB -0.479 31.327 31.823 -0.029 0.000 0.642 289 V HN 0.247 nan 8.190 nan 0.000 0.446 290 V N 0.302 120.213 119.914 -0.006 0.000 2.332 290 V HA -0.276 3.844 4.120 0.001 0.000 0.248 290 V C 2.689 178.800 176.094 0.029 0.000 1.055 290 V CA 2.097 64.401 62.300 0.006 0.000 1.038 290 V CB -1.228 30.596 31.823 0.002 0.000 0.651 290 V HN 0.569 nan 8.190 nan 0.000 0.450 291 A N 0.531 123.372 122.820 0.036 0.000 1.902 291 A HA -0.075 4.246 4.320 0.001 0.000 0.217 291 A C 2.424 180.081 177.584 0.121 0.000 1.181 291 A CA 1.903 53.980 52.037 0.067 0.000 0.623 291 A CB -1.204 17.821 19.000 0.041 0.000 0.818 291 A HN 0.532 nan 8.150 nan 0.000 0.443 292 G N -0.230 108.650 108.800 0.133 0.000 2.418 292 G HA2 -0.137 3.823 3.960 0.001 0.000 0.217 292 G HA3 -0.137 3.823 3.960 0.001 0.000 0.217 292 G C 1.542 176.515 174.900 0.121 0.000 1.158 292 G CA 1.103 46.354 45.100 0.252 0.000 0.771 292 G HN 0.439 nan 8.290 nan 0.000 0.545 293 L N 0.467 121.715 121.223 0.042 0.000 2.131 293 L HA 0.126 4.466 4.340 0.001 0.000 0.206 293 L C 3.334 180.190 176.870 -0.023 0.000 1.087 293 L CA 0.827 55.647 54.840 -0.033 0.000 0.767 293 L CB -0.305 41.764 42.059 0.016 0.000 0.917 293 L HN 0.266 nan 8.230 nan 0.000 0.441 294 A N 0.377 123.219 122.820 0.036 0.000 1.930 294 A HA -0.087 4.234 4.320 0.001 0.000 0.217 294 A C 2.390 180.090 177.584 0.193 0.000 1.175 294 A CA 1.618 53.722 52.037 0.112 0.000 0.627 294 A CB -1.176 17.869 19.000 0.075 0.000 0.815 294 A HN 0.421 nan 8.150 nan 0.000 0.443 295 G N -0.061 108.808 108.800 0.115 0.000 2.421 295 G HA2 -0.139 3.821 3.960 0.001 0.000 0.216 295 G HA3 -0.139 3.821 3.960 0.001 0.000 0.216 295 G C 1.481 176.237 174.900 -0.239 0.000 1.171 295 G CA 1.188 46.392 45.100 0.172 0.000 0.775 295 G HN 0.485 nan 8.290 nan 0.000 0.543 296 L N -0.230 120.436 121.223 -0.928 0.000 2.012 296 L HA 0.001 4.342 4.340 0.001 0.000 0.210 296 L C 2.459 179.101 176.870 -0.381 0.000 1.073 296 L CA 1.985 56.103 54.840 -1.203 0.000 0.748 296 L CB -0.876 40.412 42.059 -1.286 0.000 0.891 296 L HN 0.485 nan 8.230 nan 0.000 0.431 297 W N 0.394 121.508 121.300 -0.311 0.000 2.338 297 W HA -0.067 4.594 4.660 0.000 0.000 0.304 297 W C 2.180 178.647 176.519 -0.086 0.000 1.212 297 W CA 2.345 59.598 57.345 -0.153 0.000 1.264 297 W CB -0.835 28.567 29.460 -0.096 0.000 1.142 297 W HN 0.224 nan 8.180 nan 0.000 0.512 298 G N 1.066 109.872 108.800 0.010 0.000 2.587 298 G HA2 -0.389 3.571 3.960 0.001 0.000 0.217 298 G HA3 -0.389 3.571 3.960 0.001 0.000 0.217 298 G C 1.520 176.277 174.900 -0.237 0.000 1.240 298 G CA 2.756 47.758 45.100 -0.164 0.000 0.794 298 G HN 0.638 nan 8.290 nan 0.000 0.580 299 V N -1.338 118.537 119.914 -0.064 0.000 2.469 299 V HA -0.138 3.982 4.120 0.001 0.000 0.251 299 V C 2.579 178.609 176.094 -0.106 0.000 1.064 299 V CA 2.803 65.095 62.300 -0.014 0.000 1.066 299 V CB -1.342 30.567 31.823 0.144 0.000 0.667 299 V HN 0.290 nan 8.190 nan 0.000 0.461 300 T N 0.614 115.054 114.554 -0.191 0.000 2.867 300 T HA 0.025 4.375 4.350 0.001 0.000 0.268 300 T C 1.612 176.151 174.700 -0.268 0.000 1.057 300 T CA 1.713 63.693 62.100 -0.200 0.000 1.136 300 T CB -0.349 68.394 68.868 -0.209 0.000 0.874 300 T HN 0.350 nan 8.240 nan 0.000 0.466 301 M N 1.471 120.801 119.600 -0.450 0.000 2.696 301 M HA 0.213 4.693 4.480 0.001 0.000 0.220 301 M C -0.210 175.936 176.300 -0.257 0.000 1.133 301 M CA 0.596 55.623 55.300 -0.455 0.000 1.016 301 M CB -0.837 31.268 32.600 -0.825 0.000 1.740 301 M HN 0.190 nan 8.290 nan 0.000 0.502 302 L N 0.237 121.358 121.223 -0.169 0.000 2.433 302 L HA 0.437 4.778 4.340 0.001 0.000 0.256 302 L C 0.088 176.925 176.870 -0.055 0.000 1.063 302 L CA -0.474 54.314 54.840 -0.086 0.000 0.922 302 L CB 0.612 42.644 42.059 -0.045 0.000 1.238 302 L HN -0.074 nan 8.230 nan 0.000 0.466 310 D N -0.657 119.750 120.400 0.012 0.000 2.374 310 D HA 0.451 5.091 4.640 0.001 0.000 0.239 310 D C -1.964 174.347 176.300 0.017 0.000 0.991 310 D CA -1.311 52.695 54.000 0.010 0.000 0.960 310 D CB 1.877 42.680 40.800 0.005 0.000 1.284 310 D HN 0.072 nan 8.370 nan 0.000 0.512 311 P HA -0.125 nan 4.420 nan 0.000 0.224 311 P C 0.806 178.096 177.300 -0.017 0.000 1.142 311 P CA 0.589 63.717 63.100 0.048 0.000 0.778 311 P CB -0.148 31.599 31.700 0.078 0.000 0.764 312 C N -0.134 119.157 119.300 -0.014 0.000 2.472 312 C HA -0.008 4.452 4.460 0.001 0.000 0.278 312 C C 2.165 177.181 174.990 0.043 0.000 1.447 312 C CA 0.408 59.432 59.018 0.010 0.000 1.773 312 C CB -1.573 26.282 27.740 0.192 0.000 1.793 312 C HN 0.307 nan 8.230 nan 0.000 0.544 313 D N 0.761 121.188 120.400 0.045 0.000 2.310 313 D HA -0.085 4.555 4.640 0.001 0.000 0.212 313 D C 2.062 178.421 176.300 0.098 0.000 0.965 313 D CA 0.821 54.873 54.000 0.085 0.000 0.879 313 D CB -0.137 40.711 40.800 0.080 0.000 0.921 313 D HN 0.307 nan 8.370 nan 0.000 0.510 314 V N 0.844 120.762 119.914 0.007 0.000 2.392 314 V HA -0.247 3.874 4.120 0.001 0.000 0.249 314 V C 1.995 178.165 176.094 0.126 0.000 1.059 314 V CA 1.282 63.609 62.300 0.044 0.000 1.051 314 V CB -0.584 31.230 31.823 -0.016 0.000 0.658 314 V HN 0.084 nan 8.190 nan 0.000 0.455 315 F N 1.214 121.315 119.950 0.252 0.000 2.325 315 F HA 0.091 4.619 4.527 0.001 0.000 0.299 315 F C 2.346 178.280 175.800 0.223 0.000 1.090 315 F CA 0.854 58.985 58.000 0.218 0.000 1.392 315 F CB -1.464 37.621 39.000 0.142 0.000 1.053 315 F HN 0.180 nan 8.300 nan 0.000 0.521 316 G N 0.160 109.158 108.800 0.331 0.000 2.421 316 G HA2 -0.173 3.787 3.960 0.001 0.000 0.216 316 G HA3 -0.173 3.787 3.960 0.001 0.000 0.216 316 G C 1.852 176.905 174.900 0.255 0.000 1.171 316 G CA 1.222 46.470 45.100 0.246 0.000 0.775 316 G HN 0.243 nan 8.290 nan 0.000 0.543 317 V N 0.528 120.597 119.914 0.258 0.000 2.270 317 V HA -0.188 3.933 4.120 0.001 0.000 0.245 317 V C 2.515 178.712 176.094 0.172 0.000 1.043 317 V CA 1.892 64.323 62.300 0.219 0.000 1.014 317 V CB -0.786 31.137 31.823 0.168 0.000 0.645 317 V HN 0.456 nan 8.190 nan 0.000 0.447 318 H N 0.147 119.340 119.070 0.205 0.000 2.387 318 H HA -0.123 4.433 4.556 0.001 0.000 0.299 318 H C 2.361 177.828 175.328 0.232 0.000 1.099 318 H CA 1.756 57.935 56.048 0.218 0.000 1.315 318 H CB -0.418 29.491 29.762 0.245 0.000 1.380 318 H HN 0.513 nan 8.280 nan 0.000 0.513 319 G N 0.372 109.387 108.800 0.358 0.000 2.404 319 G HA2 -0.166 3.795 3.960 0.001 0.000 0.214 319 G HA3 -0.166 3.795 3.960 0.001 0.000 0.214 319 G C 1.975 177.018 174.900 0.238 0.000 1.189 319 G CA 0.892 46.162 45.100 0.283 0.000 0.789 319 G HN 0.223 nan 8.290 nan 0.000 0.533 320 V N 0.656 120.714 119.914 0.240 0.000 2.261 320 V HA -0.219 3.901 4.120 0.001 0.000 0.246 320 V C 3.072 179.281 176.094 0.192 0.000 1.047 320 V CA 1.912 64.352 62.300 0.234 0.000 1.015 320 V CB -0.642 31.357 31.823 0.292 0.000 0.642 320 V HN 0.506 nan 8.190 nan 0.000 0.446 321 C N 0.615 120.022 119.300 0.177 0.000 2.435 321 C HA 0.008 4.468 4.460 0.001 0.000 0.279 321 C C 2.845 177.922 174.990 0.146 0.000 1.321 321 C CA 0.509 59.609 59.018 0.137 0.000 1.752 321 C CB -1.693 26.102 27.740 0.092 0.000 1.959 321 C HN 0.696 nan 8.230 nan 0.000 0.500 322 G N 0.629 109.539 108.800 0.183 0.000 2.402 322 G HA2 -0.114 3.846 3.960 0.001 0.000 0.216 322 G HA3 -0.114 3.846 3.960 0.001 0.000 0.216 322 G C 1.480 176.489 174.900 0.181 0.000 1.162 322 G CA 0.583 45.807 45.100 0.206 0.000 0.777 322 G HN 0.516 nan 8.290 nan 0.000 0.539 323 I N 0.337 121.008 120.570 0.168 0.000 2.179 323 I HA -0.151 4.019 4.170 0.001 0.000 0.242 323 I C 2.783 178.975 176.117 0.126 0.000 1.088 323 I CA 0.488 61.873 61.300 0.142 0.000 1.357 323 I CB -0.243 37.838 38.000 0.135 0.000 1.051 323 I HN 0.017 nan 8.210 nan 0.000 0.409 324 V N 1.045 121.032 119.914 0.121 0.000 2.295 324 V HA -0.242 3.878 4.120 0.001 0.000 0.246 324 V C 2.592 178.758 176.094 0.121 0.000 1.049 324 V CA 2.273 64.635 62.300 0.103 0.000 1.024 324 V CB -1.442 30.433 31.823 0.087 0.000 0.648 324 V HN 0.585 nan 8.190 nan 0.000 0.447 325 G N -1.224 107.656 108.800 0.133 0.000 2.446 325 G HA2 -0.292 3.668 3.960 0.001 0.000 0.217 325 G HA3 -0.292 3.668 3.960 0.001 0.000 0.217 325 G C 1.765 176.773 174.900 0.181 0.000 1.168 325 G CA 1.379 46.571 45.100 0.153 0.000 0.771 325 G HN 0.531 nan 8.290 nan 0.000 0.551 326 C N 0.200 119.606 119.300 0.177 0.000 2.425 326 C HA 0.052 4.512 4.460 0.001 0.000 0.277 326 C C 2.860 177.940 174.990 0.149 0.000 1.280 326 C CA 0.495 59.616 59.018 0.172 0.000 1.744 326 C CB -0.944 26.885 27.740 0.149 0.000 1.989 326 C HN 0.470 nan 8.230 nan 0.000 0.491 327 I N 0.164 120.813 120.570 0.132 0.000 2.233 327 I HA -0.205 3.965 4.170 0.001 0.000 0.243 327 I C 2.478 178.685 176.117 0.151 0.000 1.093 327 I CA 1.551 62.919 61.300 0.114 0.000 1.380 327 I CB -0.365 37.689 38.000 0.090 0.000 1.067 327 I HN 0.281 nan 8.210 nan 0.000 0.413 328 M N -0.191 119.522 119.600 0.188 0.000 2.358 328 M HA -0.150 4.330 4.480 0.001 0.000 0.264 328 M C 2.121 178.624 176.300 0.338 0.000 1.064 328 M CA 1.422 56.894 55.300 0.287 0.000 1.093 328 M CB -0.582 32.189 32.600 0.284 0.000 1.401 328 M HN 0.234 nan 8.290 nan 0.000 0.440 329 T N 0.206 114.919 114.554 0.265 0.000 2.821 329 T HA -0.077 4.273 4.350 0.001 0.000 0.267 329 T C 1.774 176.626 174.700 0.254 0.000 1.046 329 T CA 1.561 63.826 62.100 0.274 0.000 1.139 329 T CB -0.517 68.514 68.868 0.272 0.000 0.871 329 T HN 0.643 nan 8.240 nan 0.000 0.454 330 G N 0.145 109.077 108.800 0.219 0.000 2.625 330 G HA2 0.044 4.004 3.960 0.001 0.000 0.214 330 G HA3 0.044 4.004 3.960 0.001 0.000 0.214 330 G C 1.254 176.333 174.900 0.298 0.000 1.132 330 G CA 0.263 45.502 45.100 0.232 0.000 0.782 330 G HN 0.474 nan 8.290 nan 0.000 0.538 331 I N -1.502 119.195 120.570 0.210 0.000 3.196 331 I HA 0.214 4.385 4.170 0.001 0.000 0.248 331 I C 1.722 177.754 176.117 -0.142 0.000 1.105 331 I CA -0.033 61.284 61.300 0.029 0.000 1.482 331 I CB -0.014 37.882 38.000 -0.173 0.000 1.400 331 I HN -0.012 nan 8.210 nan 0.000 0.464 332 F N 1.583 121.587 119.950 0.090 0.000 2.546 332 F HA -0.054 4.473 4.527 0.000 0.000 0.298 332 F C 2.419 178.194 175.800 -0.041 0.000 1.120 332 F CA 0.923 58.941 58.000 0.029 0.000 1.456 332 F CB -0.595 38.432 39.000 0.045 0.000 1.088 332 F HN 0.028 nan 8.300 nan 0.000 0.572 333 A N 0.297 123.119 122.820 0.003 0.000 2.119 333 A HA 0.294 4.615 4.320 0.001 0.000 0.217 333 A C 1.622 178.860 177.584 -0.577 0.000 1.153 333 A CA 0.545 52.477 52.037 -0.174 0.000 0.692 333 A CB -0.979 17.932 19.000 -0.149 0.000 0.799 333 A HN 0.156 nan 8.150 nan 0.000 0.458 334 A N 0.002 122.352 122.820 -0.783 0.000 2.540 334 A HA 0.351 4.671 4.320 0.001 0.000 0.239 334 A C 1.461 178.841 177.584 -0.339 0.000 1.061 334 A CA 0.468 52.033 52.037 -0.786 0.000 0.758 334 A CB 0.047 18.843 19.000 -0.339 0.000 0.991 334 A HN 0.386 nan 8.150 nan 0.000 0.502 335 S N 1.614 117.160 115.700 -0.256 0.000 2.370 335 S HA -0.193 4.278 4.470 0.001 0.000 0.226 335 S C 2.252 176.812 174.600 -0.066 0.000 1.033 335 S CA 1.824 59.956 58.200 -0.114 0.000 1.011 335 S CB -0.406 62.754 63.200 -0.067 0.000 0.852 335 S HN 1.100 nan 8.310 nan 0.000 0.457 336 S N 1.674 117.337 115.700 -0.062 0.000 2.440 336 S HA 0.001 4.471 4.470 0.001 0.000 0.238 336 S C 1.270 175.856 174.600 -0.024 0.000 1.010 336 S CA 0.861 59.043 58.200 -0.031 0.000 0.972 336 S CB -0.498 62.691 63.200 -0.018 0.000 0.774 336 S HN 0.480 nan 8.310 nan 0.000 0.501 337 L N 0.610 121.810 121.223 -0.038 0.000 2.818 337 L HA 0.479 4.819 4.340 0.001 0.000 0.243 337 L C 1.516 178.437 176.870 0.085 0.000 1.185 337 L CA 0.147 55.001 54.840 0.023 0.000 0.988 337 L CB -0.076 41.957 42.059 -0.044 0.000 1.292 337 L HN 0.481 nan 8.230 nan 0.000 0.519 338 G N -0.063 108.756 108.800 0.032 0.000 2.157 338 G HA2 -0.219 3.741 3.960 0.001 0.000 0.239 338 G HA3 -0.219 3.741 3.960 0.001 0.000 0.239 338 G C 0.557 175.474 174.900 0.028 0.000 0.982 338 G CA -0.192 44.929 45.100 0.036 0.000 0.650 338 G HN 0.516 nan 8.290 nan 0.000 0.527 339 G N -0.815 107.986 108.800 0.002 0.000 2.621 339 G HA2 0.564 4.525 3.960 0.001 0.000 0.271 339 G HA3 0.564 4.525 3.960 0.001 0.000 0.271 339 G C 1.455 176.340 174.900 -0.025 0.000 1.236 339 G CA 0.785 45.882 45.100 -0.005 0.000 0.958 339 G HN 1.331 nan 8.290 nan 0.000 0.512 340 V N -2.350 117.569 119.914 0.009 0.000 3.217 340 V HA 0.469 4.589 4.120 0.001 0.000 0.264 340 V C 1.148 177.233 176.094 -0.015 0.000 1.135 340 V CA 0.674 62.989 62.300 0.026 0.000 1.142 340 V CB -1.374 30.510 31.823 0.101 0.000 0.754 340 V HN 2.200 nan 8.190 nan 0.000 0.484 341 G N -0.383 108.345 108.800 -0.120 0.000 2.788 341 G HA2 -0.079 3.881 3.960 0.001 0.000 0.686 341 G HA3 -0.079 3.881 3.960 0.001 0.000 0.686 341 G C -0.781 174.026 174.900 -0.156 0.000 1.147 341 G CA -0.480 44.507 45.100 -0.188 0.000 0.755 341 G HN 0.364 nan 8.290 nan 0.000 0.634 342 F N 1.309 121.269 119.950 0.016 0.000 2.435 342 F HA 0.596 5.124 4.527 0.001 0.000 0.316 342 F C 1.528 177.334 175.800 0.009 0.000 1.220 342 F CA 0.539 58.539 58.000 -0.000 0.000 1.241 342 F CB 0.198 39.198 39.000 0.001 0.000 1.234 342 F HN 0.958 nan 8.300 nan 0.000 0.569 343 A N 0.228 123.183 122.820 0.225 0.000 2.429 343 A HA 0.117 4.437 4.320 0.001 0.000 0.242 343 A C 0.224 177.866 177.584 0.097 0.000 1.088 343 A CA -0.534 51.576 52.037 0.122 0.000 0.784 343 A CB -0.236 18.815 19.000 0.084 0.000 1.038 343 A HN 0.746 nan 8.150 nan 0.000 0.501 344 E N -0.509 119.724 120.200 0.055 0.000 2.442 344 E HA 0.293 4.643 4.350 0.001 0.000 0.262 344 E C 1.201 177.803 176.600 0.002 0.000 1.004 344 E CA 1.114 57.533 56.400 0.032 0.000 0.928 344 E CB 0.190 29.900 29.700 0.017 0.000 0.937 344 E HN 1.280 nan 8.360 nan 0.000 0.446 345 G N 1.935 110.731 108.800 -0.006 0.000 2.166 345 G HA2 -0.283 3.677 3.960 0.001 0.000 0.260 345 G HA3 -0.283 3.677 3.960 0.001 0.000 0.260 345 G C 0.113 174.953 174.900 -0.101 0.000 0.986 345 G CA 0.298 45.368 45.100 -0.049 0.000 0.683 345 G HN 0.380 nan 8.290 nan 0.000 0.527 346 V N 2.142 122.016 119.914 -0.066 0.000 2.347 346 V HA 0.595 4.716 4.120 0.001 0.000 0.280 346 V C 1.032 177.045 176.094 -0.134 0.000 1.021 346 V CA -0.081 62.138 62.300 -0.135 0.000 0.847 346 V CB 1.196 32.975 31.823 -0.073 0.000 0.990 346 V HN 0.661 nan 8.190 nan 0.000 0.444 347 T N 2.057 116.515 114.554 -0.160 0.000 2.828 347 T HA 0.235 4.585 4.350 0.001 0.000 0.290 347 T C 1.242 175.675 174.700 -0.445 0.000 1.019 347 T CA -0.247 61.754 62.100 -0.165 0.000 1.031 347 T CB 0.922 69.742 68.868 -0.079 0.000 1.001 347 T HN 0.577 nan 8.240 nan 0.000 0.531 348 M N 1.035 120.393 119.600 -0.403 0.000 2.175 348 M HA 0.063 4.543 4.480 0.001 0.000 0.264 348 M C 2.202 178.324 176.300 -0.297 0.000 1.063 348 M CA 2.096 57.081 55.300 -0.524 0.000 1.119 348 M CB -1.011 31.569 32.600 -0.033 0.000 1.377 348 M HN 0.929 nan 8.290 nan 0.000 0.415 349 G N -1.084 107.623 108.800 -0.156 0.000 2.418 349 G HA2 -0.312 3.648 3.960 0.001 0.000 0.217 349 G HA3 -0.312 3.648 3.960 0.001 0.000 0.217 349 G C 1.177 176.018 174.900 -0.099 0.000 1.158 349 G CA 1.435 46.479 45.100 -0.093 0.000 0.771 349 G HN 0.646 nan 8.290 nan 0.000 0.545 350 H N -0.198 118.761 119.070 -0.186 0.000 2.321 350 H HA -0.061 4.495 4.556 0.001 0.000 0.300 350 H C 2.597 177.818 175.328 -0.178 0.000 1.087 350 H CA 2.056 58.011 56.048 -0.156 0.000 1.319 350 H CB -0.027 29.647 29.762 -0.145 0.000 1.379 350 H HN 0.339 nan 8.280 nan 0.000 0.501 351 Q N 0.436 120.098 119.800 -0.230 0.000 2.084 351 Q HA -0.089 4.252 4.340 0.001 0.000 0.202 351 Q C 2.362 178.258 176.000 -0.174 0.000 0.978 351 Q CA 1.641 57.299 55.803 -0.241 0.000 0.844 351 Q CB -0.428 28.048 28.738 -0.436 0.000 0.898 351 Q HN 0.614 nan 8.270 nan 0.000 0.426 352 L N -0.483 120.645 121.223 -0.160 0.000 2.042 352 L HA -0.192 4.148 4.340 0.001 0.000 0.210 352 L C 2.146 178.958 176.870 -0.095 0.000 1.076 352 L CA 0.797 55.587 54.840 -0.084 0.000 0.749 352 L CB -0.525 41.497 42.059 -0.062 0.000 0.893 352 L HN 0.329 nan 8.230 nan 0.000 0.432 353 L N -0.681 120.453 121.223 -0.149 0.000 2.083 353 L HA -0.155 4.186 4.340 0.001 0.000 0.209 353 L C 2.293 179.064 176.870 -0.164 0.000 1.083 353 L CA 1.661 56.409 54.840 -0.153 0.000 0.752 353 L CB -0.432 41.512 42.059 -0.191 0.000 0.899 353 L HN -0.041 nan 8.230 nan 0.000 0.433 354 V N -0.559 119.224 119.914 -0.218 0.000 2.548 354 V HA -0.208 3.913 4.120 0.001 0.000 0.249 354 V C 2.616 178.664 176.094 -0.076 0.000 1.055 354 V CA 1.262 63.465 62.300 -0.161 0.000 1.065 354 V CB -0.555 31.169 31.823 -0.164 0.000 0.681 354 V HN 0.482 nan 8.190 nan 0.000 0.462 355 Q N -0.146 119.624 119.800 -0.050 0.000 2.046 355 Q HA -0.094 4.246 4.340 0.001 0.000 0.200 355 Q C 2.315 178.316 176.000 0.003 0.000 0.975 355 Q CA 1.512 57.316 55.803 0.001 0.000 0.836 355 Q CB -0.488 28.269 28.738 0.032 0.000 0.896 355 Q HN 0.522 nan 8.270 nan 0.000 0.428 356 L N 0.703 121.918 121.223 -0.013 0.000 2.046 356 L HA -0.208 4.132 4.340 0.001 0.000 0.208 356 L C 2.321 179.186 176.870 -0.008 0.000 1.077 356 L CA 1.298 56.136 54.840 -0.003 0.000 0.747 356 L CB -0.393 41.658 42.059 -0.014 0.000 0.896 356 L HN 0.268 nan 8.230 nan 0.000 0.432 357 E N -0.466 119.713 120.200 -0.035 0.000 2.110 357 E HA -0.170 4.180 4.350 0.001 0.000 0.193 357 E C 2.314 178.898 176.600 -0.025 0.000 0.988 357 E CA 1.421 57.797 56.400 -0.041 0.000 0.804 357 E CB -0.021 29.627 29.700 -0.085 0.000 0.745 357 E HN 0.366 nan 8.360 nan 0.000 0.458 358 S N 0.742 116.425 115.700 -0.027 0.000 2.368 358 S HA -0.106 4.364 4.470 0.001 0.000 0.224 358 S C 2.035 176.640 174.600 0.008 0.000 1.029 358 S CA 0.732 58.919 58.200 -0.023 0.000 0.988 358 S CB -0.124 63.062 63.200 -0.023 0.000 0.838 358 S HN 0.180 nan 8.310 nan 0.000 0.462 359 I N 1.753 122.341 120.570 0.030 0.000 2.179 359 I HA -0.217 3.953 4.170 0.001 0.000 0.242 359 I C 2.721 178.878 176.117 0.067 0.000 1.088 359 I CA 1.146 62.481 61.300 0.058 0.000 1.357 359 I CB -0.506 37.534 38.000 0.067 0.000 1.051 359 I HN 0.261 nan 8.210 nan 0.000 0.409 360 A N 0.949 123.800 122.820 0.053 0.000 1.883 360 A HA -0.204 4.116 4.320 0.001 0.000 0.217 360 A C 2.305 179.940 177.584 0.085 0.000 1.186 360 A CA 1.693 53.766 52.037 0.060 0.000 0.624 360 A CB -0.924 18.099 19.000 0.039 0.000 0.822 360 A HN 0.390 nan 8.150 nan 0.000 0.444 361 I N -0.491 120.128 120.570 0.081 0.000 2.226 361 I HA -0.231 3.940 4.170 0.001 0.000 0.245 361 I C 2.617 178.842 176.117 0.179 0.000 1.100 361 I CA 1.762 63.142 61.300 0.135 0.000 1.374 361 I CB -0.539 37.523 38.000 0.104 0.000 1.057 361 I HN 0.280 nan 8.210 nan 0.000 0.413 362 T N 1.063 115.683 114.554 0.110 0.000 2.708 362 T HA -0.150 4.201 4.350 0.001 0.000 0.266 362 T C 1.938 176.753 174.700 0.192 0.000 1.037 362 T CA 1.442 63.611 62.100 0.116 0.000 1.146 362 T CB -0.305 68.601 68.868 0.063 0.000 0.865 362 T HN 0.223 nan 8.240 nan 0.000 0.435 363 I N 0.801 121.469 120.570 0.164 0.000 2.163 363 I HA -0.179 3.991 4.170 0.001 0.000 0.243 363 I C 2.453 178.677 176.117 0.178 0.000 1.085 363 I CA 1.119 62.519 61.300 0.166 0.000 1.347 363 I CB -0.350 37.726 38.000 0.126 0.000 1.044 363 I HN 0.105 nan 8.210 nan 0.000 0.408 364 V N -0.196 119.818 119.914 0.166 0.000 2.379 364 V HA -0.257 3.863 4.120 0.001 0.000 0.245 364 V C 2.065 178.271 176.094 0.187 0.000 1.044 364 V CA 1.487 63.871 62.300 0.141 0.000 1.036 364 V CB -0.726 31.156 31.823 0.098 0.000 0.664 364 V HN 0.604 nan 8.190 nan 0.000 0.453 365 W N 0.857 122.192 121.300 0.059 0.000 2.354 365 W HA -0.215 4.447 4.660 0.003 0.000 0.315 365 W C 2.873 179.447 176.519 0.091 0.000 1.206 365 W CA 2.338 59.712 57.345 0.049 0.000 1.290 365 W CB -0.595 28.881 29.460 0.027 0.000 1.152 365 W HN 0.360 nan 8.180 nan 0.000 0.489 366 S N 0.175 116.162 115.700 0.479 0.000 2.368 366 S HA -0.097 4.373 4.470 0.001 0.000 0.225 366 S C 2.057 176.935 174.600 0.463 0.000 1.030 366 S CA 2.056 60.565 58.200 0.516 0.000 0.999 366 S CB -0.881 62.630 63.200 0.518 0.000 0.844 366 S HN 0.291 nan 8.310 nan 0.000 0.459 367 G N 0.901 109.890 108.800 0.316 0.000 2.433 367 G HA2 -0.140 3.821 3.960 0.001 0.000 0.216 367 G HA3 -0.140 3.821 3.960 0.001 0.000 0.216 367 G C 1.504 176.559 174.900 0.258 0.000 1.186 367 G CA 1.107 46.362 45.100 0.258 0.000 0.779 367 G HN 0.458 nan 8.290 nan 0.000 0.543 368 V N 0.569 120.579 119.914 0.160 0.000 2.255 368 V HA -0.198 3.922 4.120 0.001 0.000 0.247 368 V C 3.072 179.274 176.094 0.179 0.000 1.051 368 V CA 1.701 64.067 62.300 0.110 0.000 1.018 368 V CB -0.616 31.182 31.823 -0.042 0.000 0.641 368 V HN 0.242 nan 8.190 nan 0.000 0.445 369 V N 0.245 120.246 119.914 0.144 0.000 2.343 369 V HA -0.271 3.850 4.120 0.001 0.000 0.247 369 V C 2.698 178.979 176.094 0.311 0.000 1.051 369 V CA 2.044 64.441 62.300 0.161 0.000 1.036 369 V CB -1.223 30.662 31.823 0.103 0.000 0.654 369 V HN 0.567 nan 8.190 nan 0.000 0.451 370 A N -0.419 122.691 122.820 0.483 0.000 1.877 370 A HA -0.255 4.065 4.320 0.001 0.000 0.216 370 A C 2.130 179.974 177.584 0.433 0.000 1.186 370 A CA 2.097 54.432 52.037 0.497 0.000 0.620 370 A CB -0.786 18.521 19.000 0.512 0.000 0.822 370 A HN 0.508 nan 8.150 nan 0.000 0.443 371 F N 0.462 120.605 119.950 0.321 0.000 2.126 371 F HA -0.186 4.340 4.527 -0.002 0.000 0.299 371 F C 1.982 177.916 175.800 0.224 0.000 1.096 371 F CA 1.838 60.017 58.000 0.299 0.000 1.255 371 F CB -0.212 38.905 39.000 0.194 0.000 0.997 371 F HN 0.188 nan 8.300 nan 0.000 0.479 372 I N -0.135 120.593 120.570 0.264 0.000 2.226 372 I HA -0.245 3.925 4.170 0.001 0.000 0.245 372 I C 2.742 178.888 176.117 0.047 0.000 1.100 372 I CA 1.453 62.822 61.300 0.116 0.000 1.374 372 I CB -1.203 36.861 38.000 0.107 0.000 1.057 372 I HN 0.286 nan 8.210 nan 0.000 0.413 373 G N -0.061 108.783 108.800 0.074 0.000 2.421 373 G HA2 -0.269 3.692 3.960 0.001 0.000 0.216 373 G HA3 -0.269 3.692 3.960 0.001 0.000 0.216 373 G C 1.432 176.394 174.900 0.103 0.000 1.171 373 G CA 0.716 45.847 45.100 0.051 0.000 0.775 373 G HN 0.273 nan 8.290 nan 0.000 0.543 374 Y N 1.044 121.462 120.300 0.197 0.000 2.242 374 Y HA 0.039 4.589 4.550 -0.000 0.000 0.291 374 Y C 2.807 178.645 175.900 -0.103 0.000 1.137 374 Y CA 1.078 59.186 58.100 0.012 0.000 1.181 374 Y CB 0.034 38.429 38.460 -0.108 0.000 0.989 374 Y HN 0.021 nan 8.280 nan 0.000 0.527 375 K N -0.291 120.068 120.400 -0.068 0.000 2.103 375 K HA -0.095 4.226 4.320 0.001 0.000 0.204 375 K C 2.086 178.659 176.600 -0.044 0.000 1.052 375 K CA 0.653 56.850 56.287 -0.150 0.000 0.945 375 K CB -0.740 31.563 32.500 -0.328 0.000 0.722 375 K HN 0.278 nan 8.250 nan 0.000 0.443 376 L N 1.268 122.486 121.223 -0.009 0.000 2.056 376 L HA -0.054 4.286 4.340 0.001 0.000 0.207 376 L C 2.171 179.059 176.870 0.030 0.000 1.078 376 L CA 1.823 56.670 54.840 0.011 0.000 0.749 376 L CB -0.837 41.232 42.059 0.016 0.000 0.901 376 L HN 0.110 nan 8.230 nan 0.000 0.433 377 A N -0.795 122.062 122.820 0.061 0.000 1.877 377 A HA -0.273 4.047 4.320 0.001 0.000 0.216 377 A C 2.127 179.742 177.584 0.052 0.000 1.186 377 A CA 1.895 53.979 52.037 0.078 0.000 0.620 377 A CB -1.049 18.030 19.000 0.133 0.000 0.822 377 A HN 0.538 nan 8.150 nan 0.000 0.443 378 D N -0.161 120.262 120.400 0.038 0.000 2.123 378 D HA -0.107 4.533 4.640 0.001 0.000 0.196 378 D C 1.742 178.045 176.300 0.005 0.000 0.992 378 D CA 1.144 55.151 54.000 0.012 0.000 0.833 378 D CB -0.209 40.582 40.800 -0.015 0.000 0.954 378 D HN 0.425 nan 8.370 nan 0.000 0.455 379 L N -0.578 120.647 121.223 0.002 0.000 2.376 379 L HA -0.026 4.314 4.340 0.001 0.000 0.219 379 L C 2.109 178.983 176.870 0.008 0.000 1.133 379 L CA 0.825 55.667 54.840 0.002 0.000 0.816 379 L CB -0.136 41.923 42.059 -0.001 0.000 0.933 379 L HN 0.057 nan 8.230 nan 0.000 0.449 380 T N -1.197 113.366 114.554 0.015 0.000 2.980 380 T HA -0.027 4.324 4.350 0.001 0.000 0.239 380 T C 1.545 176.256 174.700 0.019 0.000 1.011 380 T CA 1.362 63.472 62.100 0.017 0.000 1.171 380 T CB 0.226 69.108 68.868 0.023 0.000 0.873 380 T HN 0.244 nan 8.240 nan 0.000 0.431 381 V N -2.020 117.910 119.914 0.026 0.000 3.612 381 V HA 0.696 4.817 4.120 0.001 0.000 0.268 381 V C 0.721 176.830 176.094 0.025 0.000 1.365 381 V CA 0.266 62.582 62.300 0.027 0.000 1.044 381 V CB -0.268 31.578 31.823 0.038 0.000 0.820 381 V HN 0.636 nan 8.190 nan 0.000 0.444 382 G N 0.432 109.246 108.800 0.022 0.000 3.209 382 G HA2 -0.116 3.844 3.960 0.001 0.000 0.686 382 G HA3 -0.116 3.844 3.960 0.001 0.000 0.686 382 G C -0.281 174.630 174.900 0.019 0.000 1.065 382 G CA -0.026 45.081 45.100 0.013 0.000 0.812 382 G HN 0.280 nan 8.290 nan 0.000 0.573 383 L N 1.990 123.217 121.223 0.007 0.000 1.961 383 L HA 0.065 4.405 4.340 0.001 0.000 0.209 383 L C 2.360 179.223 176.870 -0.012 0.000 1.075 383 L CA 1.574 56.417 54.840 0.005 0.000 0.749 383 L CB -0.284 41.761 42.059 -0.024 0.000 0.890 383 L HN 0.833 nan 8.230 nan 0.000 0.433 384 R N 0.840 121.320 120.500 -0.033 0.000 2.538 384 R HA 0.040 4.381 4.340 0.001 0.000 0.282 384 R C -0.219 176.070 176.300 -0.019 0.000 1.009 384 R CA -0.408 55.669 56.100 -0.039 0.000 1.063 384 R CB 0.064 30.335 30.300 -0.048 0.000 0.945 384 R HN -0.025 nan 8.270 nan 0.000 0.414 385 V N 5.116 125.018 119.914 -0.019 0.000 2.814 385 V HA 0.002 4.122 4.120 0.001 0.000 0.307 385 V C -0.999 175.093 176.094 -0.004 0.000 1.089 385 V CA -0.780 61.517 62.300 -0.005 0.000 1.212 385 V CB 0.368 32.183 31.823 -0.015 0.000 0.912 385 V HN 0.902 nan 8.190 nan 0.000 0.497 386 P HA 0.000 nan 4.420 nan 0.000 0.216 386 P CA 0.000 63.102 63.100 0.004 0.000 0.800 386 P CB 0.000 31.707 31.700 0.012 0.000 0.726