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 3n0l_1_B DATA FIRST_RESID -2 DATA SEQUENCE SNAXSLEXFD KEIFDLTNKE LERQCEGLEX IASENFTLPE VXEVXGSILT DATA SEQUENCE NKYAEGYPGK RYYGGCEFVD EIETLAIERC KKLFNCKFAN VQPNSGSQAN DATA SEQUENCE QGVYAALINP GDKILGXDLX XXXXXXXXXX XXXXXKXYES CFYGVELDGR DATA SEQUENCE IDYEKVREIA KKEKPKLIVC GASAYARVID FAKFREIADE IGAYLFADIA DATA SEQUENCE HIAGLVVAGE HPSPFPYAHV VSSTTHKTLR GPRGGIIXTN DEELAKKINS DATA SEQUENCE AIFPGIQGGP LXHVIAAKAV GFKFNLSDEW KVYAKQVRTN AQVLANVLXD DATA SEQUENCE RKFKLVSDGT DNHLVLXSFL DREFSGKDAD LALGNAGITA NKNTVPGEIR DATA SEQUENCE SPFITSGLRL GTPALTARGF KEKEXEIVSN YIADILDDVN NEKLQENIKQ DATA SEQUENCE ELKKLASNFI IYERAXF 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 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.601 174.600 0.001 0.000 1.055 -2 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 -2 S CB 0.000 63.188 63.200 -0.020 0.000 0.593 -1 N N 2.931 121.639 118.700 0.013 0.000 2.458 -1 N HA 0.470 5.223 4.740 0.023 0.000 0.258 -1 N C 0.790 176.337 175.510 0.062 0.000 1.219 -1 N CA 1.051 54.109 53.050 0.013 0.000 0.902 -1 N CB 0.497 38.970 38.487 -0.024 0.000 1.076 -1 N HN 0.992 nan 8.380 nan 0.000 0.455 3 L N 3.299 124.531 121.223 0.015 0.000 2.056 3 L HA 0.264 4.617 4.340 0.023 0.000 0.207 3 L C 1.054 177.909 176.870 -0.026 0.000 1.078 3 L CA 1.950 56.846 54.840 0.094 0.000 0.749 3 L CB -0.543 41.619 42.059 0.172 0.000 0.901 3 L HN 0.459 nan 8.230 nan 0.000 0.433 7 D N 1.544 121.868 120.400 -0.126 0.000 2.621 7 D HA 0.209 4.862 4.640 0.023 0.000 0.274 7 D C 0.664 176.949 176.300 -0.025 0.000 1.215 7 D CA 0.007 53.898 54.000 -0.183 0.000 0.810 7 D CB 0.887 41.633 40.800 -0.089 0.000 1.248 7 D HN 0.330 nan 8.370 nan 0.000 0.517 8 K N 0.954 121.325 120.400 -0.049 0.000 2.147 8 K HA -0.143 4.190 4.320 0.023 0.000 0.205 8 K C 1.526 178.185 176.600 0.098 0.000 1.049 8 K CA 1.087 57.390 56.287 0.027 0.000 0.936 8 K CB 0.353 32.840 32.500 -0.022 0.000 0.722 8 K HN 0.301 nan 8.250 nan 0.000 0.446 9 E N 0.395 120.613 120.200 0.031 0.000 2.031 9 E HA -0.199 4.164 4.350 0.023 0.000 0.193 9 E C 1.895 178.527 176.600 0.054 0.000 0.994 9 E CA 1.291 57.711 56.400 0.032 0.000 0.800 9 E CB 0.055 29.752 29.700 -0.004 0.000 0.752 9 E HN 0.219 nan 8.360 nan 0.000 0.447 10 I N 0.745 121.348 120.570 0.055 0.000 2.208 10 I HA -0.248 3.935 4.170 0.023 0.000 0.245 10 I C 2.340 178.512 176.117 0.092 0.000 1.097 10 I CA 1.193 62.530 61.300 0.061 0.000 1.363 10 I CB -1.131 36.907 38.000 0.063 0.000 1.051 10 I HN 0.242 nan 8.210 nan 0.000 0.413 11 F N 2.351 122.295 119.950 -0.010 0.000 2.095 11 F HA -0.278 4.262 4.527 0.023 0.000 0.298 11 F C 2.218 178.009 175.800 -0.015 0.000 1.104 11 F CA 1.945 59.939 58.000 -0.011 0.000 1.232 11 F CB -0.240 38.755 39.000 -0.008 0.000 0.987 11 F HN 0.099 nan 8.300 nan 0.000 0.475 12 D N 0.569 121.044 120.400 0.125 0.000 2.117 12 D HA -0.153 4.500 4.640 0.023 0.000 0.197 12 D C 2.427 178.688 176.300 -0.066 0.000 0.987 12 D CA 1.486 55.493 54.000 0.012 0.000 0.829 12 D CB -0.519 40.336 40.800 0.091 0.000 0.961 12 D HN 0.343 nan 8.370 nan 0.000 0.460 13 L N 0.506 121.710 121.223 -0.032 0.000 2.083 13 L HA -0.144 4.210 4.340 0.023 0.000 0.209 13 L C 2.428 179.259 176.870 -0.066 0.000 1.083 13 L CA 1.101 55.920 54.840 -0.034 0.000 0.752 13 L CB -0.555 41.498 42.059 -0.011 0.000 0.899 13 L HN 0.028 nan 8.230 nan 0.000 0.433 14 T N -0.736 113.755 114.554 -0.105 0.000 2.777 14 T HA -0.119 4.244 4.350 0.023 0.000 0.266 14 T C 1.720 176.315 174.700 -0.176 0.000 1.040 14 T CA 1.228 63.251 62.100 -0.130 0.000 1.141 14 T CB -0.220 68.559 68.868 -0.148 0.000 0.868 14 T HN 0.285 nan 8.240 nan 0.000 0.444 15 N N 1.174 119.708 118.700 -0.277 0.000 2.223 15 N HA -0.022 4.731 4.740 0.023 0.000 0.185 15 N C 1.823 177.260 175.510 -0.122 0.000 1.016 15 N CA 0.864 53.766 53.050 -0.247 0.000 0.863 15 N CB -0.120 38.160 38.487 -0.344 0.000 0.983 15 N HN 0.454 nan 8.380 nan 0.000 0.429 16 K N 0.665 121.012 120.400 -0.090 0.000 2.097 16 K HA -0.146 4.187 4.320 0.023 0.000 0.206 16 K C 1.765 178.354 176.600 -0.018 0.000 1.049 16 K CA 0.922 57.185 56.287 -0.040 0.000 0.933 16 K CB 0.007 32.492 32.500 -0.025 0.000 0.717 16 K HN 0.086 nan 8.250 nan 0.000 0.442 17 E N 1.618 121.804 120.200 -0.023 0.000 2.106 17 E HA -0.158 4.205 4.350 0.023 0.000 0.192 17 E C 1.827 178.444 176.600 0.028 0.000 0.984 17 E CA 0.665 57.070 56.400 0.007 0.000 0.806 17 E CB -0.163 29.539 29.700 0.003 0.000 0.750 17 E HN 0.164 nan 8.360 nan 0.000 0.458 18 L N 1.028 122.248 121.223 -0.004 0.000 2.017 18 L HA -0.110 4.243 4.340 0.023 0.000 0.208 18 L C 2.307 179.203 176.870 0.043 0.000 1.073 18 L CA 2.367 57.220 54.840 0.022 0.000 0.745 18 L CB -0.651 41.389 42.059 -0.032 0.000 0.894 18 L HN 0.278 nan 8.230 nan 0.000 0.432 19 E N -0.433 119.775 120.200 0.014 0.000 2.085 19 E HA -0.313 4.050 4.350 0.023 0.000 0.194 19 E C 2.434 179.060 176.600 0.043 0.000 0.994 19 E CA 1.321 57.734 56.400 0.023 0.000 0.801 19 E CB -0.204 29.499 29.700 0.006 0.000 0.743 19 E HN 0.495 nan 8.360 nan 0.000 0.453 20 R N 0.200 120.728 120.500 0.047 0.000 2.081 20 R HA -0.183 4.171 4.340 0.023 0.000 0.235 20 R C 2.376 178.734 176.300 0.098 0.000 1.131 20 R CA 1.960 58.098 56.100 0.062 0.000 0.960 20 R CB -0.082 30.251 30.300 0.056 0.000 0.856 20 R HN 0.302 nan 8.270 nan 0.000 0.436 21 Q N -0.792 119.088 119.800 0.134 0.000 2.170 21 Q HA -0.162 4.191 4.340 0.023 0.000 0.203 21 Q C 2.249 178.332 176.000 0.139 0.000 0.976 21 Q CA 1.478 57.411 55.803 0.217 0.000 0.858 21 Q CB 0.059 28.996 28.738 0.332 0.000 0.907 21 Q HN 0.449 nan 8.270 nan 0.000 0.433 22 C N 0.288 119.639 119.300 0.084 0.000 2.492 22 C HA -0.022 4.451 4.460 0.023 0.000 0.279 22 C C 2.201 177.231 174.990 0.067 0.000 1.335 22 C CA 0.360 59.405 59.018 0.046 0.000 1.734 22 C CB -0.387 27.381 27.740 0.046 0.000 2.027 22 C HN 0.507 nan 8.230 nan 0.000 0.496 23 E N 0.231 120.473 120.200 0.069 0.000 2.230 23 E HA 0.089 4.452 4.350 0.023 0.000 0.192 23 E C 1.241 177.885 176.600 0.073 0.000 0.987 23 E CA 0.485 56.925 56.400 0.067 0.000 0.841 23 E CB -0.021 29.708 29.700 0.050 0.000 0.783 23 E HN 0.640 nan 8.360 nan 0.000 0.481 24 G N 0.413 109.259 108.800 0.077 0.000 2.511 24 G HA2 0.528 4.502 3.960 0.023 0.000 0.316 24 G HA3 0.528 4.502 3.960 0.023 0.000 0.316 24 G C -0.708 174.238 174.900 0.075 0.000 1.210 24 G CA -0.671 44.472 45.100 0.071 0.000 0.969 24 G HN -0.029 nan 8.290 nan 0.000 0.492 25 L N 1.204 122.458 121.223 0.052 0.000 2.276 25 L HA 0.367 4.721 4.340 0.023 0.000 0.286 25 L C -0.181 176.696 176.870 0.011 0.000 1.024 25 L CA -0.657 54.189 54.840 0.011 0.000 0.826 25 L CB 1.356 43.424 42.059 0.015 0.000 1.211 25 L HN 0.476 nan 8.230 nan 0.000 0.422 29 A N 3.317 126.171 122.820 0.057 0.000 2.024 29 A HA -0.146 4.188 4.320 0.023 0.000 0.220 29 A C 1.859 179.568 177.584 0.208 0.000 1.164 29 A CA 2.230 54.340 52.037 0.121 0.000 0.643 29 A CB -0.331 18.709 19.000 0.066 0.000 0.806 29 A HN 0.825 nan 8.150 nan 0.000 0.451 30 S N -1.076 114.727 115.700 0.172 0.000 2.577 30 S HA 0.256 4.739 4.470 0.023 0.000 0.219 30 S C 0.238 174.892 174.600 0.090 0.000 0.962 30 S CA -0.381 57.928 58.200 0.182 0.000 0.921 30 S CB 0.044 63.386 63.200 0.237 0.000 0.789 30 S HN 0.594 nan 8.310 nan 0.000 0.497 31 E N 0.939 121.161 120.200 0.038 0.000 2.232 31 E HA 0.561 4.924 4.350 0.023 0.000 0.264 31 E C -0.722 175.788 176.600 -0.150 0.000 0.973 31 E CA -0.843 55.548 56.400 -0.015 0.000 0.849 31 E CB 0.983 30.657 29.700 -0.043 0.000 1.198 31 E HN 0.174 nan 8.360 nan 0.000 0.407 32 N N 0.069 118.620 118.700 -0.249 0.000 3.106 32 N HA 0.342 5.095 4.740 0.023 0.000 0.253 32 N C -1.912 173.367 175.510 -0.385 0.000 1.506 32 N CA -0.553 52.268 53.050 -0.381 0.000 0.876 32 N CB 0.945 39.234 38.487 -0.330 0.000 1.452 32 N HN 0.198 nan 8.380 nan 0.000 0.542 33 F N 0.981 120.957 119.950 0.044 0.000 2.375 33 F HA 0.363 4.904 4.527 0.023 0.000 0.361 33 F C 0.782 176.666 175.800 0.140 0.000 1.117 33 F CA -0.362 57.735 58.000 0.161 0.000 1.037 33 F CB 1.079 40.111 39.000 0.053 0.000 1.192 33 F HN 0.107 nan 8.300 nan 0.000 0.452 34 T N 4.302 119.124 114.554 0.446 0.000 2.906 34 T HA 0.212 4.575 4.350 0.023 0.000 0.320 34 T C 0.564 175.356 174.700 0.152 0.000 1.088 34 T CA -0.332 61.925 62.100 0.262 0.000 1.120 34 T CB 0.359 69.367 68.868 0.234 0.000 1.000 34 T HN 0.292 nan 8.240 nan 0.000 0.550 35 L N 4.214 125.427 121.223 -0.017 0.000 2.426 35 L HA 0.148 4.501 4.340 0.023 0.000 0.271 35 L C -1.203 175.534 176.870 -0.223 0.000 1.169 35 L CA -1.797 52.951 54.840 -0.154 0.000 0.836 35 L CB 0.217 42.116 42.059 -0.266 0.000 1.112 35 L HN 0.466 nan 8.230 nan 0.000 0.465 36 P HA -0.177 nan 4.420 nan 0.000 0.216 36 P C 0.996 178.064 177.300 -0.388 0.000 1.150 36 P CA 1.183 63.844 63.100 -0.732 0.000 0.843 36 P CB 0.301 31.637 31.700 -0.607 0.000 0.787 37 E N -0.911 119.154 120.200 -0.225 0.000 2.153 37 E HA -0.062 4.302 4.350 0.023 0.000 0.194 37 E C 0.983 177.523 176.600 -0.100 0.000 0.988 37 E CA 0.416 56.742 56.400 -0.123 0.000 0.811 37 E CB -0.773 28.866 29.700 -0.102 0.000 0.746 37 E HN 0.040 nan 8.360 nan 0.000 0.466 44 S N -0.501 115.184 115.700 -0.025 0.000 2.677 44 S HA 0.636 5.119 4.470 0.023 0.000 0.304 44 S C 1.283 175.865 174.600 -0.031 0.000 1.108 44 S CA -0.422 57.772 58.200 -0.011 0.000 0.944 44 S CB 1.301 64.515 63.200 0.023 0.000 1.127 44 S HN 0.975 nan 8.310 nan 0.000 0.511 45 I N -0.361 120.199 120.570 -0.017 0.000 3.241 45 I HA 0.116 4.299 4.170 0.023 0.000 0.280 45 I C 1.440 177.562 176.117 0.009 0.000 1.320 45 I CA 0.737 62.027 61.300 -0.016 0.000 1.413 45 I CB -1.161 36.831 38.000 -0.015 0.000 1.060 45 I HN 0.624 nan 8.210 nan 0.000 0.500 46 L N 1.107 122.352 121.223 0.036 0.000 2.265 46 L HA -0.148 4.206 4.340 0.023 0.000 0.215 46 L C 2.656 179.584 176.870 0.097 0.000 1.117 46 L CA 1.551 56.438 54.840 0.079 0.000 0.782 46 L CB -1.270 40.856 42.059 0.112 0.000 0.914 46 L HN 0.562 nan 8.230 nan 0.000 0.441 47 T N -3.449 111.124 114.554 0.031 0.000 2.849 47 T HA -0.163 4.201 4.350 0.023 0.000 0.270 47 T C 1.563 176.270 174.700 0.011 0.000 1.066 47 T CA 1.364 63.456 62.100 -0.013 0.000 1.130 47 T CB -0.381 68.368 68.868 -0.199 0.000 0.864 47 T HN 0.302 nan 8.240 nan 0.000 0.481 48 N N 0.816 119.522 118.700 0.009 0.000 2.463 48 N HA 0.101 4.855 4.740 0.023 0.000 0.181 48 N C 0.411 175.949 175.510 0.047 0.000 1.078 48 N CA 0.484 53.540 53.050 0.009 0.000 0.902 48 N CB -0.075 38.412 38.487 -0.001 0.000 0.970 48 N HN 0.387 nan 8.380 nan 0.000 0.451 49 K N 0.923 121.372 120.400 0.081 0.000 2.227 49 K HA 0.089 4.423 4.320 0.023 0.000 0.280 49 K C -1.311 175.408 176.600 0.199 0.000 1.041 49 K CA -0.445 55.913 56.287 0.118 0.000 0.905 49 K CB 0.004 32.567 32.500 0.104 0.000 1.068 49 K HN -0.124 nan 8.250 nan 0.000 0.470 50 Y N 3.083 123.413 120.300 0.049 0.000 2.454 50 Y HA 0.485 5.049 4.550 0.022 0.000 0.345 50 Y C -0.418 175.541 175.900 0.098 0.000 0.970 50 Y CA -1.439 56.708 58.100 0.078 0.000 1.204 50 Y CB 0.818 39.357 38.460 0.132 0.000 1.122 50 Y HN 0.633 nan 8.280 nan 0.000 0.514 51 A N 5.786 128.585 122.820 -0.034 0.000 3.201 51 A HA 0.314 4.648 4.320 0.023 0.000 0.312 51 A C 0.058 177.336 177.584 -0.509 0.000 1.011 51 A CA -0.618 51.298 52.037 -0.202 0.000 0.987 51 A CB -0.446 18.490 19.000 -0.106 0.000 1.060 51 A HN 0.764 nan 8.150 nan 0.000 0.505 52 E N 0.446 120.148 120.200 -0.830 0.000 2.442 52 E HA 0.373 4.736 4.350 0.023 0.000 0.262 52 E C 0.946 176.759 176.600 -1.310 0.000 1.004 52 E CA 1.256 56.883 56.400 -1.289 0.000 0.928 52 E CB 0.591 29.466 29.700 -1.375 0.000 0.937 52 E HN 1.010 nan 8.360 nan 0.000 0.446 53 G N 1.468 109.194 108.800 -1.790 0.000 2.500 53 G HA2 -0.216 3.758 3.960 0.023 0.000 0.209 53 G HA3 -0.216 3.758 3.960 0.023 0.000 0.209 53 G C -1.450 172.934 174.900 -0.859 0.000 1.283 53 G CA -0.776 43.727 45.100 -0.994 0.000 0.960 53 G HN 0.413 nan 8.290 nan 0.000 0.528 54 Y N -0.004 120.210 120.300 -0.143 0.000 2.630 54 Y HA 0.629 5.192 4.550 0.022 0.000 0.337 54 Y C -1.898 173.972 175.900 -0.050 0.000 1.051 54 Y CA -1.958 56.095 58.100 -0.079 0.000 1.121 54 Y CB 1.641 40.091 38.460 -0.017 0.000 1.299 54 Y HN 0.409 nan 8.280 nan 0.000 0.498 55 P HA 0.082 nan 4.420 nan 0.000 0.264 55 P C 0.535 177.873 177.300 0.063 0.000 1.193 55 P CA 1.825 64.965 63.100 0.067 0.000 0.763 55 P CB 0.336 32.079 31.700 0.072 0.000 0.810 56 G N 2.824 111.643 108.800 0.032 0.000 2.184 56 G HA2 -0.310 3.664 3.960 0.023 0.000 0.264 56 G HA3 -0.310 3.664 3.960 0.023 0.000 0.264 56 G C 0.310 175.236 174.900 0.043 0.000 0.975 56 G CA 0.200 45.317 45.100 0.028 0.000 0.642 56 G HN 0.580 nan 8.290 nan 0.000 0.536 57 K N 0.141 120.579 120.400 0.064 0.000 3.320 57 K HA 0.244 4.578 4.320 0.023 0.000 0.194 57 K C 0.393 177.055 176.600 0.103 0.000 1.085 57 K CA -0.707 55.638 56.287 0.097 0.000 0.901 57 K CB 0.788 33.375 32.500 0.146 0.000 0.765 57 K HN 0.116 nan 8.250 nan 0.000 0.480 58 R N 0.041 120.570 120.500 0.050 0.000 2.532 58 R HA 0.215 4.569 4.340 0.023 0.000 0.272 58 R C 0.635 177.016 176.300 0.134 0.000 1.032 58 R CA -0.417 55.685 56.100 0.003 0.000 1.089 58 R CB 0.278 30.546 30.300 -0.053 0.000 1.098 58 R HN 0.145 nan 8.270 nan 0.000 0.526 59 Y N -0.000 120.116 120.300 -0.306 0.000 2.337 59 Y HA 0.000 4.564 4.550 0.023 0.000 0.293 59 Y C 0.437 176.132 175.900 -0.341 0.000 1.123 59 Y CA 0.465 58.340 58.100 -0.376 0.000 1.201 59 Y CB -0.202 37.908 38.460 -0.583 0.000 1.011 59 Y HN 0.360 nan 8.280 nan 0.000 0.545 60 Y N -0.929 119.407 120.300 0.061 0.000 2.567 60 Y HA 0.618 5.181 4.550 0.023 0.000 0.333 60 Y C 0.986 176.887 175.900 0.002 0.000 1.106 60 Y CA -1.874 56.238 58.100 0.020 0.000 1.157 60 Y CB 0.355 38.816 38.460 0.002 0.000 1.277 60 Y HN -0.145 nan 8.280 nan 0.000 0.490 61 G N -0.667 108.247 108.800 0.191 0.000 2.588 61 G HA2 0.428 4.402 3.960 0.023 0.000 0.281 61 G HA3 0.428 4.402 3.960 0.023 0.000 0.281 61 G C 0.622 175.562 174.900 0.066 0.000 1.236 61 G CA -0.293 44.859 45.100 0.086 0.000 0.969 61 G HN 1.370 nan 8.290 nan 0.000 0.504 62 G N -2.564 106.248 108.800 0.020 0.000 2.136 62 G HA2 -0.262 3.711 3.960 0.023 0.000 0.242 62 G HA3 -0.262 3.711 3.960 0.023 0.000 0.242 62 G C 0.714 175.614 174.900 -0.001 0.000 0.989 62 G CA 0.462 45.569 45.100 0.011 0.000 0.682 62 G HN 0.956 nan 8.290 nan 0.000 0.522 63 C N 0.224 119.507 119.300 -0.028 0.000 2.688 63 C HA 0.368 4.841 4.460 0.023 0.000 0.297 63 C C 2.143 177.070 174.990 -0.105 0.000 1.308 63 C CA 0.499 59.499 59.018 -0.030 0.000 1.726 63 C CB -0.542 27.189 27.740 -0.016 0.000 1.982 63 C HN 0.752 nan 8.230 nan 0.000 0.604 64 E N 1.077 121.123 120.200 -0.257 0.000 2.070 64 E HA -0.228 4.136 4.350 0.023 0.000 0.197 64 E C 1.195 177.562 176.600 -0.389 0.000 1.004 64 E CA 1.868 58.004 56.400 -0.440 0.000 0.805 64 E CB -0.041 29.168 29.700 -0.819 0.000 0.744 64 E HN 0.656 nan 8.360 nan 0.000 0.451 65 F N 0.035 119.996 119.950 0.019 0.000 2.270 65 F HA -0.047 4.493 4.527 0.022 0.000 0.295 65 F C 2.392 178.203 175.800 0.018 0.000 1.087 65 F CA 0.882 58.892 58.000 0.018 0.000 1.365 65 F CB -0.801 38.210 39.000 0.017 0.000 1.056 65 F HN 0.018 nan 8.300 nan 0.000 0.506 66 V N -2.046 117.962 119.914 0.157 0.000 2.626 66 V HA -0.160 3.973 4.120 0.023 0.000 0.252 66 V C 1.695 177.821 176.094 0.053 0.000 1.067 66 V CA 1.895 64.252 62.300 0.095 0.000 1.081 66 V CB -0.706 31.159 31.823 0.069 0.000 0.686 66 V HN 0.087 nan 8.190 nan 0.000 0.468 67 D N 0.921 121.337 120.400 0.026 0.000 2.117 67 D HA -0.127 4.527 4.640 0.023 0.000 0.197 67 D C 2.247 178.570 176.300 0.038 0.000 0.987 67 D CA 1.839 55.849 54.000 0.017 0.000 0.829 67 D CB -0.188 40.606 40.800 -0.010 0.000 0.961 67 D HN 0.658 nan 8.370 nan 0.000 0.460 68 E N 0.015 120.246 120.200 0.052 0.000 2.077 68 E HA -0.101 4.263 4.350 0.023 0.000 0.193 68 E C 2.267 178.912 176.600 0.075 0.000 0.989 68 E CA 0.450 56.892 56.400 0.070 0.000 0.800 68 E CB -0.001 29.761 29.700 0.102 0.000 0.746 68 E HN 0.295 nan 8.360 nan 0.000 0.452 69 I N 0.993 121.612 120.570 0.083 0.000 2.179 69 I HA -0.275 3.908 4.170 0.023 0.000 0.242 69 I C 2.632 178.786 176.117 0.061 0.000 1.088 69 I CA 1.265 62.606 61.300 0.069 0.000 1.357 69 I CB -0.153 37.888 38.000 0.067 0.000 1.051 69 I HN 0.130 nan 8.210 nan 0.000 0.409 70 E N 0.377 120.611 120.200 0.057 0.000 2.077 70 E HA -0.205 4.159 4.350 0.023 0.000 0.193 70 E C 2.055 178.704 176.600 0.081 0.000 0.989 70 E CA 1.735 58.173 56.400 0.063 0.000 0.800 70 E CB 0.089 29.819 29.700 0.051 0.000 0.746 70 E HN 0.381 nan 8.360 nan 0.000 0.452 71 T N 1.406 116.003 114.554 0.070 0.000 2.720 71 T HA -0.173 4.190 4.350 0.023 0.000 0.268 71 T C 1.700 176.443 174.700 0.070 0.000 1.037 71 T CA 1.042 63.182 62.100 0.067 0.000 1.144 71 T CB -0.240 68.659 68.868 0.052 0.000 0.864 71 T HN 0.097 nan 8.240 nan 0.000 0.444 72 L N 1.404 122.670 121.223 0.073 0.000 2.017 72 L HA 0.033 4.387 4.340 0.023 0.000 0.208 72 L C 2.646 179.588 176.870 0.120 0.000 1.073 72 L CA 1.892 56.779 54.840 0.079 0.000 0.745 72 L CB -1.187 40.914 42.059 0.071 0.000 0.894 72 L HN 0.239 nan 8.230 nan 0.000 0.432 73 A N -0.463 122.439 122.820 0.138 0.000 1.883 73 A HA -0.214 4.120 4.320 0.023 0.000 0.217 73 A C 2.293 180.039 177.584 0.271 0.000 1.186 73 A CA 2.187 54.368 52.037 0.241 0.000 0.624 73 A CB -0.861 18.244 19.000 0.174 0.000 0.822 73 A HN 0.491 nan 8.150 nan 0.000 0.444 74 I N -0.542 120.125 120.570 0.162 0.000 2.226 74 I HA -0.200 3.984 4.170 0.023 0.000 0.245 74 I C 2.458 178.606 176.117 0.053 0.000 1.100 74 I CA 1.225 62.591 61.300 0.110 0.000 1.374 74 I CB -0.305 37.747 38.000 0.087 0.000 1.057 74 I HN 0.279 nan 8.210 nan 0.000 0.413 75 E N 0.814 121.043 120.200 0.049 0.000 2.106 75 E HA -0.158 4.206 4.350 0.023 0.000 0.192 75 E C 2.307 178.903 176.600 -0.006 0.000 0.984 75 E CA 1.051 57.457 56.400 0.009 0.000 0.806 75 E CB -0.189 29.519 29.700 0.013 0.000 0.750 75 E HN 0.475 nan 8.360 nan 0.000 0.458 76 R N 0.067 120.588 120.500 0.036 0.000 2.075 76 R HA -0.063 4.290 4.340 0.023 0.000 0.232 76 R C 2.613 178.811 176.300 -0.171 0.000 1.126 76 R CA 1.198 57.301 56.100 0.006 0.000 0.963 76 R CB -0.661 29.733 30.300 0.157 0.000 0.858 76 R HN 0.195 nan 8.270 nan 0.000 0.435 77 C N 1.351 120.493 119.300 -0.264 0.000 2.413 77 C HA -0.113 4.360 4.460 0.023 0.000 0.276 77 C C 2.265 177.188 174.990 -0.112 0.000 1.236 77 C CA 1.075 59.812 59.018 -0.469 0.000 1.735 77 C CB -0.566 26.969 27.740 -0.342 0.000 2.031 77 C HN 0.397 nan 8.230 nan 0.000 0.474 78 K N 0.371 120.728 120.400 -0.070 0.000 2.063 78 K HA -0.217 4.116 4.320 0.023 0.000 0.208 78 K C 2.250 178.809 176.600 -0.068 0.000 1.048 78 K CA 1.872 58.126 56.287 -0.057 0.000 0.928 78 K CB -0.257 32.185 32.500 -0.097 0.000 0.713 78 K HN 0.545 nan 8.250 nan 0.000 0.442 79 K N 0.799 121.143 120.400 -0.093 0.000 2.057 79 K HA -0.140 4.193 4.320 0.023 0.000 0.206 79 K C 2.088 178.608 176.600 -0.133 0.000 1.050 79 K CA 0.856 57.084 56.287 -0.098 0.000 0.935 79 K CB -0.058 32.391 32.500 -0.084 0.000 0.715 79 K HN -0.024 nan 8.250 nan 0.000 0.439 80 L N 0.235 121.329 121.223 -0.215 0.000 2.046 80 L HA -0.076 4.278 4.340 0.023 0.000 0.208 80 L C 1.413 178.016 176.870 -0.445 0.000 1.077 80 L CA 1.746 56.353 54.840 -0.387 0.000 0.747 80 L CB -0.244 41.448 42.059 -0.613 0.000 0.896 80 L HN 0.150 nan 8.230 nan 0.000 0.432 81 F N -0.880 119.004 119.950 -0.111 0.000 2.727 81 F HA 0.226 4.767 4.527 0.023 0.000 0.302 81 F C 1.103 176.892 175.800 -0.019 0.000 1.097 81 F CA -0.106 57.888 58.000 -0.010 0.000 1.330 81 F CB -0.487 38.549 39.000 0.059 0.000 1.084 81 F HN 0.145 nan 8.300 nan 0.000 0.578 82 N N 0.822 119.540 118.700 0.029 0.000 2.714 82 N HA -0.230 4.523 4.740 0.023 0.000 0.253 82 N C -0.673 174.751 175.510 -0.142 0.000 1.024 82 N CA 0.696 53.716 53.050 -0.051 0.000 0.726 82 N CB -1.284 37.181 38.487 -0.036 0.000 0.908 82 N HN 0.395 nan 8.380 nan 0.000 0.542 83 C N -1.909 117.289 119.300 -0.171 0.000 2.913 83 C HA 0.678 5.152 4.460 0.023 0.000 0.322 83 C C 1.591 176.389 174.990 -0.319 0.000 1.292 83 C CA -0.998 57.811 59.018 -0.349 0.000 1.649 83 C CB 1.851 29.315 27.740 -0.460 0.000 2.139 83 C HN 0.362 nan 8.230 nan 0.000 0.475 84 K N -0.527 119.617 120.400 -0.428 0.000 2.323 84 K HA 0.317 4.650 4.320 0.023 0.000 0.197 84 K C -0.765 175.218 176.600 -1.029 0.000 1.043 84 K CA 1.060 56.913 56.287 -0.724 0.000 0.997 84 K CB 0.100 32.073 32.500 -0.878 0.000 0.807 84 K HN 0.617 nan 8.250 nan 0.000 0.497 85 F N -0.128 119.756 119.950 -0.110 0.000 2.569 85 F HA 0.585 5.125 4.527 0.022 0.000 0.312 85 F C -0.633 175.126 175.800 -0.069 0.000 1.109 85 F CA -1.316 56.634 58.000 -0.084 0.000 0.919 85 F CB 2.070 41.018 39.000 -0.087 0.000 1.211 85 F HN -0.282 nan 8.300 nan 0.000 0.446 86 A N 2.241 125.129 122.820 0.112 0.000 2.486 86 A HA 0.682 5.015 4.320 0.023 0.000 0.300 86 A C -1.750 175.872 177.584 0.064 0.000 1.048 86 A CA -0.724 51.349 52.037 0.059 0.000 0.696 86 A CB 1.868 20.884 19.000 0.026 0.000 1.278 86 A HN 0.665 nan 8.150 nan 0.000 0.405 87 N N 1.534 120.267 118.700 0.055 0.000 2.399 87 N HA 0.372 5.126 4.740 0.023 0.000 0.280 87 N C 0.011 175.588 175.510 0.112 0.000 1.008 87 N CA -0.054 53.048 53.050 0.087 0.000 0.894 87 N CB 1.975 40.500 38.487 0.063 0.000 1.273 87 N HN 0.872 nan 8.380 nan 0.000 0.486 88 V N 1.283 121.284 119.914 0.146 0.000 3.376 88 V HA 0.240 4.373 4.120 0.023 0.000 0.313 88 V C 1.276 177.429 176.094 0.099 0.000 1.393 88 V CA 0.183 62.572 62.300 0.149 0.000 1.125 88 V CB 0.038 31.979 31.823 0.197 0.000 1.037 88 V HN 0.547 nan 8.190 nan 0.000 0.440 89 Q N 0.795 120.655 119.800 0.100 0.000 2.331 89 Q HA 0.148 4.502 4.340 0.023 0.000 0.203 89 Q C -1.491 174.529 176.000 0.033 0.000 0.944 89 Q CA -0.129 55.702 55.803 0.046 0.000 0.892 89 Q CB -0.953 27.803 28.738 0.030 0.000 0.983 89 Q HN 0.559 nan 8.270 nan 0.000 0.482 90 P HA -0.042 nan 4.420 nan 0.000 0.264 90 P C -0.512 176.801 177.300 0.022 0.000 1.193 90 P CA 0.710 63.832 63.100 0.036 0.000 0.763 90 P CB 0.320 32.041 31.700 0.033 0.000 0.810 91 N N 0.333 119.044 118.700 0.019 0.000 2.512 91 N HA -0.036 4.718 4.740 0.023 0.000 0.183 91 N C 0.357 175.873 175.510 0.011 0.000 1.073 91 N CA 0.409 53.465 53.050 0.009 0.000 0.911 91 N CB 0.058 38.557 38.487 0.019 0.000 0.964 91 N HN 0.506 nan 8.380 nan 0.000 0.447 92 S N -3.155 112.557 115.700 0.020 0.000 2.636 92 S HA 0.391 4.874 4.470 0.023 0.000 0.266 92 S C 0.812 175.428 174.600 0.027 0.000 1.147 92 S CA -0.568 57.646 58.200 0.023 0.000 0.815 92 S CB 0.777 63.993 63.200 0.027 0.000 1.119 92 S HN -0.026 nan 8.310 nan 0.000 0.470 93 G N 1.161 109.977 108.800 0.026 0.000 2.422 93 G HA2 -0.065 3.908 3.960 0.023 0.000 0.218 93 G HA3 -0.065 3.908 3.960 0.023 0.000 0.218 93 G C 1.290 176.212 174.900 0.037 0.000 1.146 93 G CA 1.197 46.312 45.100 0.025 0.000 0.769 93 G HN 0.791 nan 8.290 nan 0.000 0.547 94 S N 0.434 116.163 115.700 0.047 0.000 2.368 94 S HA -0.142 4.341 4.470 0.023 0.000 0.225 94 S C 2.421 177.054 174.600 0.055 0.000 1.030 94 S CA 1.590 59.829 58.200 0.065 0.000 0.999 94 S CB -0.230 63.014 63.200 0.073 0.000 0.844 94 S HN 0.351 nan 8.310 nan 0.000 0.459 95 Q N 1.057 120.883 119.800 0.043 0.000 2.119 95 Q HA 0.184 4.537 4.340 0.023 0.000 0.201 95 Q C 2.314 178.319 176.000 0.009 0.000 0.972 95 Q CA 1.269 57.093 55.803 0.036 0.000 0.847 95 Q CB -0.654 28.107 28.738 0.038 0.000 0.903 95 Q HN 0.546 nan 8.270 nan 0.000 0.433 96 A N 0.877 123.701 122.820 0.006 0.000 1.883 96 A HA -0.247 4.087 4.320 0.023 0.000 0.217 96 A C 1.796 179.334 177.584 -0.077 0.000 1.186 96 A CA 1.860 53.887 52.037 -0.017 0.000 0.624 96 A CB -0.648 18.359 19.000 0.012 0.000 0.822 96 A HN 0.344 nan 8.150 nan 0.000 0.444 97 N N -0.151 118.517 118.700 -0.053 0.000 2.120 97 N HA -0.148 4.605 4.740 0.023 0.000 0.188 97 N C 1.871 177.083 175.510 -0.495 0.000 1.024 97 N CA 1.644 54.571 53.050 -0.204 0.000 0.852 97 N CB -0.563 37.887 38.487 -0.062 0.000 1.003 97 N HN 0.671 nan 8.380 nan 0.000 0.424 98 Q N -0.184 119.535 119.800 -0.135 0.000 2.135 98 Q HA -0.053 4.301 4.340 0.023 0.000 0.204 98 Q C 2.129 178.109 176.000 -0.033 0.000 0.981 98 Q CA 1.538 57.364 55.803 0.039 0.000 0.856 98 Q CB -0.401 28.410 28.738 0.122 0.000 0.902 98 Q HN 0.461 nan 8.270 nan 0.000 0.425 99 G N -0.148 108.594 108.800 -0.096 0.000 2.422 99 G HA2 -0.205 3.768 3.960 0.023 0.000 0.218 99 G HA3 -0.205 3.768 3.960 0.023 0.000 0.218 99 G C 1.467 176.241 174.900 -0.209 0.000 1.146 99 G CA 0.850 45.890 45.100 -0.100 0.000 0.769 99 G HN 0.223 nan 8.290 nan 0.000 0.547 100 V N 0.102 119.771 119.914 -0.408 0.000 2.358 100 V HA -0.157 3.977 4.120 0.023 0.000 0.246 100 V C 2.465 178.271 176.094 -0.480 0.000 1.047 100 V CA 1.302 63.229 62.300 -0.622 0.000 1.035 100 V CB -0.739 30.327 31.823 -1.262 0.000 0.658 100 V HN 0.368 nan 8.190 nan 0.000 0.452 101 Y N 1.027 121.129 120.300 -0.330 0.000 2.128 101 Y HA -0.205 4.361 4.550 0.026 0.000 0.284 101 Y C 2.620 178.410 175.900 -0.184 0.000 1.154 101 Y CA 1.021 58.922 58.100 -0.331 0.000 1.149 101 Y CB -1.525 36.698 38.460 -0.395 0.000 0.976 101 Y HN 0.205 nan 8.280 nan 0.000 0.505 102 A N -0.102 122.783 122.820 0.108 0.000 1.972 102 A HA -0.065 4.269 4.320 0.023 0.000 0.219 102 A C 2.469 180.050 177.584 -0.005 0.000 1.169 102 A CA 1.782 53.883 52.037 0.107 0.000 0.635 102 A CB -1.095 17.958 19.000 0.088 0.000 0.810 102 A HN 0.398 nan 8.150 nan 0.000 0.446 103 A N -0.778 121.984 122.820 -0.096 0.000 1.968 103 A HA 0.154 4.487 4.320 0.023 0.000 0.217 103 A C 2.054 179.525 177.584 -0.188 0.000 1.169 103 A CA 1.349 53.297 52.037 -0.148 0.000 0.638 103 A CB -0.295 18.580 19.000 -0.208 0.000 0.812 103 A HN 0.454 nan 8.150 nan 0.000 0.446 104 L N -0.995 120.088 121.223 -0.233 0.000 2.425 104 L HA 0.335 4.689 4.340 0.023 0.000 0.215 104 L C 0.871 177.676 176.870 -0.109 0.000 1.065 104 L CA 0.242 54.876 54.840 -0.342 0.000 0.842 104 L CB -0.028 41.702 42.059 -0.549 0.000 1.033 104 L HN 0.553 nan 8.230 nan 0.000 0.474 105 I N -4.490 116.056 120.570 -0.040 0.000 3.322 105 I HA 0.499 4.682 4.170 0.023 0.000 0.313 105 I C -1.218 174.968 176.117 0.115 0.000 1.129 105 I CA -0.998 60.325 61.300 0.039 0.000 0.963 105 I CB 2.011 40.007 38.000 -0.007 0.000 1.273 105 I HN -0.183 nan 8.210 nan 0.000 0.473 106 N N 1.337 120.126 118.700 0.148 0.000 2.430 106 N HA 0.537 5.291 4.740 0.023 0.000 0.298 106 N C -2.703 172.947 175.510 0.233 0.000 1.130 106 N CA -1.583 51.563 53.050 0.159 0.000 0.894 106 N CB 1.108 39.644 38.487 0.081 0.000 1.209 106 N HN 0.391 nan 8.380 nan 0.000 0.503 107 P HA 0.053 nan 4.420 nan 0.000 0.265 107 P C 0.864 178.145 177.300 -0.032 0.000 1.187 107 P CA 0.865 63.891 63.100 -0.123 0.000 0.766 107 P CB 0.343 31.950 31.700 -0.156 0.000 0.820 108 G N 1.710 110.479 108.800 -0.053 0.000 2.268 108 G HA2 -0.208 3.765 3.960 0.023 0.000 0.240 108 G HA3 -0.208 3.765 3.960 0.023 0.000 0.240 108 G C 0.138 175.084 174.900 0.077 0.000 1.010 108 G CA -0.125 44.980 45.100 0.008 0.000 0.618 108 G HN 0.510 nan 8.290 nan 0.000 0.516 109 D N 0.813 121.304 120.400 0.152 0.000 2.378 109 D HA 0.411 5.065 4.640 0.023 0.000 0.238 109 D C 0.646 176.992 176.300 0.076 0.000 1.180 109 D CA 0.291 54.355 54.000 0.107 0.000 0.895 109 D CB 0.702 41.563 40.800 0.102 0.000 1.192 109 D HN 0.467 nan 8.370 nan 0.000 0.438 110 K N 1.220 121.630 120.400 0.016 0.000 2.172 110 K HA 0.438 4.772 4.320 0.023 0.000 0.276 110 K C -0.710 175.845 176.600 -0.075 0.000 1.013 110 K CA -0.466 55.804 56.287 -0.027 0.000 0.913 110 K CB 0.554 33.041 32.500 -0.022 0.000 1.055 110 K HN 0.348 nan 8.250 nan 0.000 0.461 111 I N 4.564 125.049 120.570 -0.142 0.000 2.474 111 I HA 0.246 4.429 4.170 0.023 0.000 0.294 111 I C -0.914 175.091 176.117 -0.186 0.000 1.005 111 I CA -1.246 59.950 61.300 -0.174 0.000 1.113 111 I CB 1.730 39.545 38.000 -0.309 0.000 1.289 111 I HN 0.465 nan 8.210 nan 0.000 0.436 112 L N 6.032 127.202 121.223 -0.088 0.000 2.280 112 L HA 0.837 5.191 4.340 0.023 0.000 0.287 112 L C -0.074 176.789 176.870 -0.012 0.000 1.023 112 L CA 0.357 55.161 54.840 -0.059 0.000 0.819 112 L CB 0.815 42.927 42.059 0.088 0.000 1.212 112 L HN 0.668 nan 8.230 nan 0.000 0.420 136 E N 1.266 121.515 120.200 0.081 0.000 2.229 136 E HA 0.607 4.970 4.350 0.023 0.000 0.283 136 E C -1.072 175.493 176.600 -0.057 0.000 1.030 136 E CA -0.178 56.228 56.400 0.009 0.000 0.836 136 E CB 0.827 30.528 29.700 0.003 0.000 1.068 136 E HN 0.544 nan 8.360 nan 0.000 0.401 137 S N 3.082 118.726 115.700 -0.095 0.000 2.472 137 S HA 0.487 4.971 4.470 0.023 0.000 0.303 137 S C -1.000 173.388 174.600 -0.352 0.000 1.099 137 S CA -0.717 57.311 58.200 -0.286 0.000 1.077 137 S CB 1.093 64.123 63.200 -0.284 0.000 1.031 137 S HN 0.568 nan 8.310 nan 0.000 0.487 138 C N 2.427 121.404 119.300 -0.539 0.000 2.889 138 C HA 0.793 5.266 4.460 0.023 0.000 0.307 138 C C -0.977 173.613 174.990 -0.667 0.000 1.251 138 C CA -0.904 57.885 59.018 -0.383 0.000 1.593 138 C CB 0.664 28.326 27.740 -0.130 0.000 2.104 138 C HN 0.847 nan 8.230 nan 0.000 0.476 139 F N 0.435 120.376 119.950 -0.016 0.000 2.603 139 F HA 0.674 5.205 4.527 0.006 0.000 0.317 139 F C -0.231 175.565 175.800 -0.006 0.000 1.066 139 F CA -0.701 57.246 58.000 -0.088 0.000 0.941 139 F CB 1.148 40.068 39.000 -0.135 0.000 1.291 139 F HN 0.709 nan 8.300 nan 0.000 0.472 140 Y N -0.550 119.859 120.300 0.181 0.000 2.598 140 Y HA 1.005 5.565 4.550 0.017 0.000 0.340 140 Y C -0.149 175.785 175.900 0.056 0.000 1.038 140 Y CA -1.373 56.778 58.100 0.085 0.000 1.100 140 Y CB 1.280 39.770 38.460 0.049 0.000 1.281 140 Y HN 0.722 nan 8.280 nan 0.000 0.488 141 G N 0.052 108.957 108.800 0.176 0.000 3.183 141 G HA2 0.603 4.577 3.960 0.023 0.000 0.247 141 G HA3 0.603 4.577 3.960 0.023 0.000 0.247 141 G C -1.262 173.676 174.900 0.063 0.000 1.211 141 G CA -0.427 44.702 45.100 0.048 0.000 0.835 141 G HN 1.217 nan 8.290 nan 0.000 0.604 142 V N -2.338 117.590 119.914 0.023 0.000 2.919 142 V HA 0.774 4.907 4.120 0.023 0.000 0.316 142 V C -0.491 175.614 176.094 0.019 0.000 1.077 142 V CA -0.989 61.331 62.300 0.033 0.000 0.977 142 V CB 1.837 33.720 31.823 0.099 0.000 1.039 142 V HN 0.613 nan 8.190 nan 0.000 0.441 143 E N 1.493 121.702 120.200 0.016 0.000 2.359 143 E HA 0.397 4.760 4.350 0.023 0.000 0.255 143 E C 1.121 177.724 176.600 0.005 0.000 1.191 143 E CA -0.595 55.808 56.400 0.005 0.000 0.952 143 E CB 1.200 30.899 29.700 -0.002 0.000 1.152 143 E HN 0.722 nan 8.360 nan 0.000 0.496 144 L N 0.762 121.983 121.223 -0.003 0.000 2.187 144 L HA -0.211 4.142 4.340 0.023 0.000 0.213 144 L C 1.573 178.437 176.870 -0.010 0.000 1.100 144 L CA 1.371 56.206 54.840 -0.009 0.000 0.765 144 L CB -0.452 41.600 42.059 -0.011 0.000 0.904 144 L HN 0.498 nan 8.230 nan 0.000 0.437 145 D N -0.373 120.024 120.400 -0.005 0.000 2.336 145 D HA -0.004 4.649 4.640 0.023 0.000 0.229 145 D C 1.409 177.706 176.300 -0.005 0.000 1.061 145 D CA 0.725 54.720 54.000 -0.008 0.000 0.875 145 D CB -0.015 40.782 40.800 -0.005 0.000 0.904 145 D HN 0.260 nan 8.370 nan 0.000 0.525 146 G N 0.294 109.099 108.800 0.009 0.000 2.162 146 G HA2 -0.328 3.645 3.960 0.023 0.000 0.260 146 G HA3 -0.328 3.645 3.960 0.023 0.000 0.260 146 G C 0.230 175.189 174.900 0.098 0.000 0.976 146 G CA 0.174 45.289 45.100 0.025 0.000 0.655 146 G HN 0.511 nan 8.290 nan 0.000 0.533 147 R N -0.794 119.770 120.500 0.108 0.000 2.778 147 R HA 0.667 5.020 4.340 0.023 0.000 0.277 147 R C 0.465 176.836 176.300 0.119 0.000 0.977 147 R CA -1.102 55.117 56.100 0.199 0.000 0.950 147 R CB 1.366 31.735 30.300 0.114 0.000 1.165 147 R HN 0.203 nan 8.270 nan 0.000 0.474 148 I N 1.530 122.133 120.570 0.055 0.000 2.618 148 I HA -0.077 4.106 4.170 0.023 0.000 0.284 148 I C 0.329 176.226 176.117 -0.367 0.000 1.146 148 I CA 0.432 61.549 61.300 -0.305 0.000 1.425 148 I CB 0.322 37.877 38.000 -0.742 0.000 1.383 148 I HN 0.388 nan 8.210 nan 0.000 0.562 149 D N 6.394 126.620 120.400 -0.289 0.000 2.428 149 D HA 0.085 4.739 4.640 0.023 0.000 0.221 149 D C 0.442 176.572 176.300 -0.284 0.000 1.123 149 D CA -0.207 53.679 54.000 -0.190 0.000 0.869 149 D CB 0.594 41.343 40.800 -0.087 0.000 1.032 149 D HN 0.347 nan 8.370 nan 0.000 0.506 150 Y N 1.909 122.092 120.300 -0.194 0.000 2.421 150 Y HA -0.097 4.469 4.550 0.026 0.000 0.292 150 Y C 2.139 177.915 175.900 -0.208 0.000 1.136 150 Y CA 0.544 58.469 58.100 -0.293 0.000 1.255 150 Y CB 0.156 38.403 38.460 -0.354 0.000 0.991 150 Y HN 0.405 nan 8.280 nan 0.000 0.552 151 E N 1.013 121.205 120.200 -0.014 0.000 2.107 151 E HA -0.137 4.226 4.350 0.023 0.000 0.191 151 E C 1.732 178.308 176.600 -0.041 0.000 0.982 151 E CA 1.381 57.766 56.400 -0.025 0.000 0.809 151 E CB -0.042 29.648 29.700 -0.015 0.000 0.756 151 E HN 0.291 nan 8.360 nan 0.000 0.459 152 K N -0.093 120.273 120.400 -0.055 0.000 2.026 152 K HA -0.078 4.255 4.320 0.023 0.000 0.208 152 K C 2.186 178.756 176.600 -0.049 0.000 1.048 152 K CA 1.420 57.682 56.287 -0.042 0.000 0.929 152 K CB -0.330 32.148 32.500 -0.037 0.000 0.713 152 K HN 0.039 nan 8.250 nan 0.000 0.439 153 V N 1.836 121.677 119.914 -0.122 0.000 2.282 153 V HA -0.298 3.835 4.120 0.023 0.000 0.249 153 V C 2.539 178.591 176.094 -0.070 0.000 1.057 153 V CA 2.022 64.232 62.300 -0.151 0.000 1.032 153 V CB -0.593 30.992 31.823 -0.397 0.000 0.645 153 V HN 0.366 nan 8.190 nan 0.000 0.447 154 R N 0.006 120.466 120.500 -0.067 0.000 2.091 154 R HA -0.223 4.130 4.340 0.023 0.000 0.238 154 R C 2.262 178.558 176.300 -0.007 0.000 1.136 154 R CA 2.148 58.232 56.100 -0.028 0.000 0.959 154 R CB -0.222 30.061 30.300 -0.029 0.000 0.856 154 R HN 0.658 nan 8.270 nan 0.000 0.437 155 E N 0.215 120.409 120.200 -0.009 0.000 2.072 155 E HA -0.172 4.192 4.350 0.023 0.000 0.191 155 E C 2.089 178.698 176.600 0.015 0.000 0.985 155 E CA 1.508 57.909 56.400 0.003 0.000 0.801 155 E CB -0.117 29.584 29.700 0.001 0.000 0.750 155 E HN 0.407 nan 8.360 nan 0.000 0.452 156 I N 1.255 121.839 120.570 0.024 0.000 2.208 156 I HA -0.291 3.892 4.170 0.023 0.000 0.245 156 I C 2.545 178.689 176.117 0.045 0.000 1.097 156 I CA 1.033 62.360 61.300 0.045 0.000 1.363 156 I CB -0.314 37.734 38.000 0.079 0.000 1.051 156 I HN 0.096 nan 8.210 nan 0.000 0.413 157 A N 0.730 123.576 122.820 0.043 0.000 1.898 157 A HA -0.213 4.120 4.320 0.023 0.000 0.216 157 A C 2.289 179.892 177.584 0.032 0.000 1.181 157 A CA 1.602 53.667 52.037 0.047 0.000 0.620 157 A CB -0.419 18.612 19.000 0.053 0.000 0.819 157 A HN 0.311 nan 8.150 nan 0.000 0.442 158 K N -0.051 120.363 120.400 0.023 0.000 2.211 158 K HA -0.147 4.187 4.320 0.023 0.000 0.203 158 K C 2.078 178.688 176.600 0.016 0.000 1.050 158 K CA 1.603 57.900 56.287 0.017 0.000 0.945 158 K CB -0.058 32.448 32.500 0.011 0.000 0.732 158 K HN 0.740 nan 8.250 nan 0.000 0.451 159 K N 0.108 120.519 120.400 0.018 0.000 2.202 159 K HA 0.023 4.356 4.320 0.023 0.000 0.201 159 K C 1.381 177.991 176.600 0.017 0.000 1.051 159 K CA 0.745 57.042 56.287 0.016 0.000 0.977 159 K CB 0.261 32.772 32.500 0.018 0.000 0.792 159 K HN -0.094 nan 8.250 nan 0.000 0.469 160 E N 1.248 121.460 120.200 0.021 0.000 2.230 160 E HA 0.002 4.366 4.350 0.023 0.000 0.192 160 E C -0.160 176.448 176.600 0.013 0.000 0.987 160 E CA 0.268 56.678 56.400 0.016 0.000 0.841 160 E CB 0.186 29.896 29.700 0.017 0.000 0.783 160 E HN 0.166 nan 8.360 nan 0.000 0.481 161 K N 0.906 121.316 120.400 0.017 0.000 3.244 161 K HA -0.125 4.208 4.320 0.023 0.000 0.270 161 K C -2.426 174.182 176.600 0.013 0.000 1.016 161 K CA 0.366 56.661 56.287 0.014 0.000 0.754 161 K CB -1.825 30.681 32.500 0.009 0.000 1.326 161 K HN 0.294 nan 8.250 nan 0.000 0.465 162 P HA 0.098 nan 4.420 nan 0.000 0.272 162 P C 0.723 178.036 177.300 0.021 0.000 1.230 162 P CA -0.275 62.833 63.100 0.013 0.000 0.788 162 P CB 0.748 32.459 31.700 0.017 0.000 0.949 163 K N 0.253 120.665 120.400 0.020 0.000 2.305 163 K HA 0.105 4.438 4.320 0.023 0.000 0.199 163 K C 0.565 177.215 176.600 0.084 0.000 1.047 163 K CA 0.487 56.796 56.287 0.037 0.000 0.976 163 K CB -0.285 32.241 32.500 0.044 0.000 0.765 163 K HN 0.366 nan 8.250 nan 0.000 0.474 164 L N 0.456 121.727 121.223 0.079 0.000 2.464 164 L HA 0.459 4.812 4.340 0.023 0.000 0.266 164 L C -1.414 175.533 176.870 0.128 0.000 0.965 164 L CA -0.525 54.399 54.840 0.140 0.000 0.833 164 L CB 1.709 43.842 42.059 0.124 0.000 1.296 164 L HN -0.105 nan 8.230 nan 0.000 0.405 165 I N 5.163 125.842 120.570 0.182 0.000 2.377 165 I HA 0.553 4.736 4.170 0.023 0.000 0.293 165 I C -0.715 175.497 176.117 0.159 0.000 0.987 165 I CA -0.949 60.453 61.300 0.170 0.000 1.185 165 I CB 1.910 40.029 38.000 0.197 0.000 1.341 165 I HN 0.294 nan 8.210 nan 0.000 0.455 166 V N 5.235 125.208 119.914 0.098 0.000 2.581 166 V HA 0.494 4.628 4.120 0.023 0.000 0.303 166 V C -0.051 175.949 176.094 -0.157 0.000 1.041 166 V CA -0.563 61.724 62.300 -0.022 0.000 0.907 166 V CB 1.661 33.484 31.823 0.000 0.000 0.994 166 V HN 1.001 nan 8.190 nan 0.000 0.442 167 C N 1.297 120.412 119.300 -0.309 0.000 2.913 167 C HA 1.084 5.558 4.460 0.023 0.000 0.322 167 C C 0.247 175.120 174.990 -0.195 0.000 1.292 167 C CA -0.386 58.400 59.018 -0.387 0.000 1.649 167 C CB 0.917 28.110 27.740 -0.911 0.000 2.139 167 C HN 2.015 nan 8.230 nan 0.000 0.475 168 G N -0.141 108.603 108.800 -0.093 0.000 2.742 168 G HA2 0.587 4.560 3.960 0.023 0.000 0.686 168 G HA3 0.587 4.560 3.960 0.023 0.000 0.686 168 G C -0.874 174.014 174.900 -0.020 0.000 1.220 168 G CA -0.049 45.046 45.100 -0.007 0.000 0.783 168 G HN 2.806 nan 8.290 nan 0.000 0.646 169 A N 0.401 123.232 122.820 0.017 0.000 2.604 169 A HA 0.985 5.319 4.320 0.023 0.000 0.295 169 A C 0.966 178.427 177.584 -0.206 0.000 1.067 169 A CA 0.620 52.623 52.037 -0.056 0.000 0.683 169 A CB 0.938 19.908 19.000 -0.049 0.000 1.281 169 A HN 2.370 nan 8.150 nan 0.000 0.407 170 S N 0.042 115.513 115.700 -0.381 0.000 2.446 170 S HA 0.281 4.765 4.470 0.023 0.000 0.225 170 S C 1.077 175.469 174.600 -0.347 0.000 1.016 170 S CA 1.184 58.897 58.200 -0.811 0.000 0.943 170 S CB 0.123 63.014 63.200 -0.514 0.000 0.786 170 S HN 2.016 nan 8.310 nan 0.000 0.508 171 A N -0.102 122.628 122.820 -0.150 0.000 2.631 171 A HA 0.496 4.830 4.320 0.023 0.000 0.294 171 A C -0.446 177.148 177.584 0.016 0.000 1.156 171 A CA -0.530 51.460 52.037 -0.077 0.000 0.963 171 A CB -0.191 18.766 19.000 -0.072 0.000 1.202 171 A HN 0.465 nan 8.150 nan 0.000 0.523 172 Y N 0.539 120.782 120.300 -0.095 0.000 2.350 172 Y HA 0.477 5.042 4.550 0.025 0.000 0.340 172 Y C 1.037 176.913 175.900 -0.041 0.000 1.006 172 Y CA -0.669 57.404 58.100 -0.046 0.000 1.166 172 Y CB 1.351 39.811 38.460 0.000 0.000 1.168 172 Y HN 0.199 nan 8.280 nan 0.000 0.502 173 A N 6.261 128.807 122.820 -0.457 0.000 2.251 173 A HA 0.240 4.574 4.320 0.023 0.000 0.209 173 A C 0.800 178.164 177.584 -0.367 0.000 1.187 173 A CA 0.143 51.971 52.037 -0.348 0.000 0.823 173 A CB -0.081 18.755 19.000 -0.274 0.000 0.846 173 A HN 0.520 nan 8.150 nan 0.000 0.486 174 R N -1.258 118.846 120.500 -0.661 0.000 2.902 174 R HA 0.495 4.848 4.340 0.023 0.000 0.258 174 R C -0.635 175.662 176.300 -0.004 0.000 1.071 174 R CA -0.946 54.946 56.100 -0.347 0.000 1.024 174 R CB 0.732 30.805 30.300 -0.379 0.000 1.184 174 R HN -0.025 nan 8.270 nan 0.000 0.492 175 V N 3.064 123.012 119.914 0.055 0.000 2.617 175 V HA -0.027 4.107 4.120 0.023 0.000 0.304 175 V C 0.849 177.067 176.094 0.206 0.000 1.040 175 V CA 0.299 62.649 62.300 0.083 0.000 1.149 175 V CB 0.144 31.868 31.823 -0.164 0.000 0.914 175 V HN 0.376 nan 8.190 nan 0.000 0.487 176 I N 4.340 125.044 120.570 0.222 0.000 2.396 176 I HA 0.123 4.306 4.170 0.023 0.000 0.289 176 I C 0.601 176.507 176.117 -0.351 0.000 1.056 176 I CA 0.081 61.379 61.300 -0.003 0.000 1.365 176 I CB 0.687 38.527 38.000 -0.268 0.000 1.407 176 I HN 0.604 nan 8.210 nan 0.000 0.509 177 D N 6.844 127.170 120.400 -0.123 0.000 2.517 177 D HA 0.074 4.728 4.640 0.023 0.000 0.220 177 D C 1.024 177.194 176.300 -0.218 0.000 1.158 177 D CA -0.285 53.517 54.000 -0.329 0.000 0.992 177 D CB 0.216 40.621 40.800 -0.658 0.000 1.058 177 D HN 0.246 nan 8.370 nan 0.000 0.516 178 F N 1.946 121.928 119.950 0.052 0.000 2.161 178 F HA -0.164 4.376 4.527 0.022 0.000 0.300 178 F C 2.547 178.183 175.800 -0.274 0.000 1.089 178 F CA 0.983 59.025 58.000 0.070 0.000 1.282 178 F CB -0.854 38.228 39.000 0.138 0.000 1.010 178 F HN 0.426 nan 8.300 nan 0.000 0.485 179 A N 0.135 122.565 122.820 -0.650 0.000 1.908 179 A HA -0.213 4.121 4.320 0.023 0.000 0.218 179 A C 2.304 179.666 177.584 -0.369 0.000 1.181 179 A CA 1.729 53.187 52.037 -0.965 0.000 0.627 179 A CB -0.624 17.820 19.000 -0.927 0.000 0.818 179 A HN 0.334 nan 8.150 nan 0.000 0.445 180 K N -1.519 118.644 120.400 -0.395 0.000 2.057 180 K HA -0.091 4.242 4.320 0.023 0.000 0.206 180 K C 1.678 178.146 176.600 -0.220 0.000 1.050 180 K CA 1.417 57.469 56.287 -0.392 0.000 0.935 180 K CB -0.356 31.678 32.500 -0.776 0.000 0.715 180 K HN 0.460 nan 8.250 nan 0.000 0.439 181 F N 1.300 121.213 119.950 -0.061 0.000 2.161 181 F HA -0.188 4.350 4.527 0.018 0.000 0.300 181 F C 2.579 178.421 175.800 0.069 0.000 1.089 181 F CA 1.291 59.318 58.000 0.046 0.000 1.282 181 F CB -0.292 38.778 39.000 0.115 0.000 1.010 181 F HN -0.046 nan 8.300 nan 0.000 0.485 182 R N 0.842 121.493 120.500 0.251 0.000 2.090 182 R HA -0.135 4.219 4.340 0.023 0.000 0.228 182 R C 2.049 178.440 176.300 0.152 0.000 1.110 182 R CA 1.672 57.908 56.100 0.228 0.000 0.973 182 R CB -0.729 29.749 30.300 0.297 0.000 0.869 182 R HN 0.411 nan 8.270 nan 0.000 0.440 183 E N -0.086 120.161 120.200 0.078 0.000 2.085 183 E HA -0.189 4.175 4.350 0.023 0.000 0.194 183 E C 1.845 178.473 176.600 0.048 0.000 0.994 183 E CA 1.732 58.158 56.400 0.043 0.000 0.801 183 E CB -0.152 29.536 29.700 -0.019 0.000 0.743 183 E HN 0.432 nan 8.360 nan 0.000 0.453 184 I N 0.897 121.496 120.570 0.047 0.000 2.179 184 I HA -0.265 3.919 4.170 0.023 0.000 0.242 184 I C 2.596 178.767 176.117 0.090 0.000 1.088 184 I CA 1.068 62.400 61.300 0.054 0.000 1.357 184 I CB -0.347 37.681 38.000 0.046 0.000 1.051 184 I HN 0.190 nan 8.210 nan 0.000 0.409 185 A N 0.402 123.307 122.820 0.142 0.000 1.933 185 A HA -0.246 4.087 4.320 0.023 0.000 0.218 185 A C 1.946 179.594 177.584 0.106 0.000 1.175 185 A CA 2.100 54.226 52.037 0.148 0.000 0.628 185 A CB -0.591 18.544 19.000 0.226 0.000 0.814 185 A HN 0.347 nan 8.150 nan 0.000 0.444 186 D N -0.237 120.227 120.400 0.108 0.000 2.144 186 D HA -0.120 4.533 4.640 0.023 0.000 0.199 186 D C 1.916 178.243 176.300 0.045 0.000 0.984 186 D CA 1.275 55.323 54.000 0.079 0.000 0.834 186 D CB -0.386 40.463 40.800 0.082 0.000 0.955 186 D HN 0.629 nan 8.370 nan 0.000 0.465 187 E N 0.062 120.287 120.200 0.041 0.000 2.118 187 E HA -0.140 4.223 4.350 0.023 0.000 0.195 187 E C 1.944 178.555 176.600 0.019 0.000 0.992 187 E CA 0.799 57.214 56.400 0.025 0.000 0.804 187 E CB -0.039 29.674 29.700 0.021 0.000 0.741 187 E HN 0.488 nan 8.360 nan 0.000 0.458 188 I N -4.018 116.566 120.570 0.023 0.000 3.974 188 I HA 0.412 4.595 4.170 0.023 0.000 0.334 188 I C 0.911 177.026 176.117 -0.003 0.000 1.437 188 I CA 0.119 61.427 61.300 0.013 0.000 1.113 188 I CB 0.610 38.623 38.000 0.022 0.000 1.063 188 I HN 0.014 nan 8.210 nan 0.000 0.400 189 G N 1.871 110.665 108.800 -0.010 0.000 2.273 189 G HA2 -0.181 3.792 3.960 0.023 0.000 0.280 189 G HA3 -0.181 3.792 3.960 0.023 0.000 0.280 189 G C 0.252 175.089 174.900 -0.106 0.000 1.047 189 G CA 0.243 45.310 45.100 -0.055 0.000 0.869 189 G HN 0.964 nan 8.290 nan 0.000 0.502 190 A N -0.854 121.935 122.820 -0.051 0.000 2.282 190 A HA 0.823 5.156 4.320 0.023 0.000 0.319 190 A C 0.035 177.571 177.584 -0.080 0.000 1.121 190 A CA -0.759 51.247 52.037 -0.052 0.000 0.836 190 A CB 0.792 19.823 19.000 0.051 0.000 1.146 190 A HN 0.512 nan 8.150 nan 0.000 0.494 191 Y N -0.307 119.976 120.300 -0.027 0.000 2.326 191 Y HA 0.380 4.943 4.550 0.021 0.000 0.333 191 Y C 0.264 176.287 175.900 0.205 0.000 1.240 191 Y CA 0.258 58.318 58.100 -0.066 0.000 1.365 191 Y CB 0.830 39.212 38.460 -0.129 0.000 1.289 191 Y HN 0.521 nan 8.280 nan 0.000 0.548 192 L N 4.561 126.179 121.223 0.659 0.000 2.305 192 L HA 0.481 4.834 4.340 0.023 0.000 0.284 192 L C -1.664 175.463 176.870 0.428 0.000 1.013 192 L CA -0.731 54.378 54.840 0.448 0.000 0.819 192 L CB 0.563 42.838 42.059 0.359 0.000 1.227 192 L HN 0.433 nan 8.230 nan 0.000 0.417 193 F N 5.652 125.672 119.950 0.118 0.000 2.449 193 F HA 0.796 5.335 4.527 0.021 0.000 0.342 193 F C -0.535 175.248 175.800 -0.028 0.000 1.127 193 F CA -1.475 56.539 58.000 0.024 0.000 0.975 193 F CB 1.342 40.353 39.000 0.018 0.000 1.146 193 F HN 0.638 nan 8.300 nan 0.000 0.444 194 A N 4.748 127.530 122.820 -0.062 0.000 2.258 194 A HA 0.445 4.779 4.320 0.023 0.000 0.316 194 A C -1.046 176.265 177.584 -0.454 0.000 1.279 194 A CA -0.573 51.295 52.037 -0.280 0.000 0.876 194 A CB 0.207 19.035 19.000 -0.285 0.000 1.170 194 A HN 0.643 nan 8.150 nan 0.000 0.520 195 D N 3.246 123.310 120.400 -0.559 0.000 2.428 195 D HA 0.278 4.931 4.640 0.023 0.000 0.221 195 D C 0.536 176.755 176.300 -0.135 0.000 1.123 195 D CA -0.397 53.360 54.000 -0.404 0.000 0.869 195 D CB 0.348 40.872 40.800 -0.460 0.000 1.032 195 D HN 0.491 nan 8.370 nan 0.000 0.506 196 I N 0.836 121.353 120.570 -0.088 0.000 3.874 196 I HA 0.384 4.568 4.170 0.023 0.000 0.331 196 I C 1.487 177.613 176.117 0.014 0.000 1.489 196 I CA -0.626 60.674 61.300 0.000 0.000 1.187 196 I CB 0.440 38.438 38.000 -0.004 0.000 1.150 196 I HN 0.212 nan 8.210 nan 0.000 0.412 197 A N 1.365 124.168 122.820 -0.027 0.000 1.948 197 A HA -0.251 4.083 4.320 0.023 0.000 0.220 197 A C 1.898 179.385 177.584 -0.161 0.000 1.177 197 A CA 2.102 54.076 52.037 -0.104 0.000 0.636 197 A CB -1.101 17.780 19.000 -0.199 0.000 0.815 197 A HN 0.688 nan 8.150 nan 0.000 0.449 198 H N -0.973 118.110 119.070 0.021 0.000 2.548 198 H HA 0.216 4.786 4.556 0.023 0.000 0.268 198 H C 1.437 176.703 175.328 -0.104 0.000 0.975 198 H CA 1.263 57.318 56.048 0.011 0.000 1.195 198 H CB 0.045 29.875 29.762 0.113 0.000 1.397 198 H HN 0.700 nan 8.280 nan 0.000 0.572 199 I N -4.285 116.306 120.570 0.034 0.000 4.225 199 I HA 0.482 4.665 4.170 0.023 0.000 0.327 199 I C 1.694 177.827 176.117 0.026 0.000 1.422 199 I CA -0.062 61.217 61.300 -0.035 0.000 1.150 199 I CB 0.537 38.479 38.000 -0.096 0.000 1.192 199 I HN -0.000 nan 8.210 nan 0.000 0.440 200 A N 2.139 125.007 122.820 0.080 0.000 1.940 200 A HA -0.049 4.285 4.320 0.023 0.000 0.219 200 A C 2.301 180.006 177.584 0.201 0.000 1.176 200 A CA 2.156 54.303 52.037 0.183 0.000 0.631 200 A CB -1.327 17.818 19.000 0.242 0.000 0.814 200 A HN 0.558 nan 8.150 nan 0.000 0.446 201 G N -0.341 108.603 108.800 0.241 0.000 2.432 201 G HA2 -0.114 3.860 3.960 0.023 0.000 0.219 201 G HA3 -0.114 3.860 3.960 0.023 0.000 0.219 201 G C 1.519 176.682 174.900 0.438 0.000 1.135 201 G CA 0.988 46.386 45.100 0.497 0.000 0.767 201 G HN 0.456 nan 8.290 nan 0.000 0.550 202 L N 0.143 121.496 121.223 0.217 0.000 2.072 202 L HA -0.042 4.312 4.340 0.023 0.000 0.205 202 L C 2.953 179.952 176.870 0.215 0.000 1.079 202 L CA 0.321 55.266 54.840 0.174 0.000 0.752 202 L CB -0.697 41.453 42.059 0.152 0.000 0.906 202 L HN 0.054 nan 8.230 nan 0.000 0.436 203 V N 0.473 120.516 119.914 0.215 0.000 2.252 203 V HA -0.267 3.867 4.120 0.023 0.000 0.249 203 V C 2.559 178.740 176.094 0.144 0.000 1.056 203 V CA 2.093 64.530 62.300 0.228 0.000 1.022 203 V CB -0.489 31.478 31.823 0.240 0.000 0.641 203 V HN 0.478 nan 8.190 nan 0.000 0.445 204 V N -1.254 118.695 119.914 0.058 0.000 2.913 204 V HA 0.027 4.161 4.120 0.023 0.000 0.260 204 V C 2.086 178.217 176.094 0.061 0.000 1.098 204 V CA 1.738 63.980 62.300 -0.097 0.000 1.121 204 V CB -0.933 30.648 31.823 -0.404 0.000 0.714 204 V HN 0.393 nan 8.190 nan 0.000 0.487 205 A N -0.045 122.896 122.820 0.203 0.000 2.275 205 A HA 0.518 4.852 4.320 0.023 0.000 0.212 205 A C 2.030 179.680 177.584 0.110 0.000 1.201 205 A CA 0.815 52.971 52.037 0.198 0.000 0.843 205 A CB -0.548 18.563 19.000 0.186 0.000 0.873 205 A HN 1.715 nan 8.150 nan 0.000 0.492 206 G N -0.501 108.368 108.800 0.114 0.000 2.143 206 G HA2 -0.213 3.760 3.960 0.023 0.000 0.248 206 G HA3 -0.213 3.760 3.960 0.023 0.000 0.248 206 G C 0.350 175.309 174.900 0.099 0.000 0.991 206 G CA 0.481 45.642 45.100 0.102 0.000 0.689 206 G HN 0.431 nan 8.290 nan 0.000 0.522 207 E N -0.167 120.103 120.200 0.116 0.000 2.463 207 E HA 0.107 4.471 4.350 0.023 0.000 0.193 207 E C 0.473 177.177 176.600 0.174 0.000 1.041 207 E CA 0.101 56.560 56.400 0.099 0.000 0.879 207 E CB 0.368 30.101 29.700 0.055 0.000 0.997 207 E HN 0.740 nan 8.360 nan 0.000 0.478 208 H N -0.077 119.060 119.070 0.113 0.000 3.038 208 H HA 0.293 4.862 4.556 0.022 0.000 0.362 208 H C -2.808 172.635 175.328 0.191 0.000 1.167 208 H CA -1.836 54.301 56.048 0.148 0.000 1.197 208 H CB 2.212 32.083 29.762 0.182 0.000 1.840 208 H HN -0.235 nan 8.280 nan 0.000 0.540 209 P HA -0.028 nan 4.420 nan 0.000 0.267 209 P C -0.429 177.198 177.300 0.546 0.000 1.200 209 P CA 0.153 63.422 63.100 0.282 0.000 0.772 209 P CB 0.596 32.408 31.700 0.187 0.000 0.855 210 S N 3.227 119.147 115.700 0.368 0.000 2.576 210 S HA 0.165 4.649 4.470 0.023 0.000 0.276 210 S C -1.223 173.414 174.600 0.063 0.000 1.339 210 S CA -1.245 57.106 58.200 0.252 0.000 1.039 210 S CB -0.129 63.206 63.200 0.224 0.000 0.902 210 S HN 0.322 nan 8.310 nan 0.000 0.516 211 P HA 0.053 nan 4.420 nan 0.000 0.229 211 P C -0.105 176.898 177.300 -0.495 0.000 1.160 211 P CA 0.483 62.864 63.100 -1.198 0.000 0.777 211 P CB -0.026 30.837 31.700 -1.395 0.000 0.814 212 F N 2.236 122.107 119.950 -0.131 0.000 2.399 212 F HA 0.260 4.801 4.527 0.024 0.000 0.342 212 F C -0.922 174.779 175.800 -0.165 0.000 1.106 212 F CA -2.476 55.455 58.000 -0.117 0.000 1.196 212 F CB 0.034 38.989 39.000 -0.075 0.000 1.163 212 F HN -0.113 nan 8.300 nan 0.000 0.547 213 P HA 0.035 nan 4.420 nan 0.000 0.261 213 P C 0.442 177.599 177.300 -0.239 0.000 1.352 213 P CA 0.572 63.588 63.100 -0.140 0.000 0.891 213 P CB -0.069 31.471 31.700 -0.266 0.000 1.383 214 Y N 1.052 121.379 120.300 0.046 0.000 2.286 214 Y HA 0.187 4.751 4.550 0.023 0.000 0.293 214 Y C 1.782 177.642 175.900 -0.067 0.000 1.124 214 Y CA 0.237 58.346 58.100 0.014 0.000 1.178 214 Y CB -1.038 37.490 38.460 0.113 0.000 1.010 214 Y HN -0.069 nan 8.280 nan 0.000 0.536 215 A N -0.142 122.685 122.820 0.012 0.000 2.363 215 A HA 0.219 4.553 4.320 0.023 0.000 0.270 215 A C 0.225 177.808 177.584 -0.001 0.000 1.121 215 A CA -0.354 51.663 52.037 -0.034 0.000 0.800 215 A CB 0.047 18.922 19.000 -0.209 0.000 1.052 215 A HN 0.511 nan 8.150 nan 0.000 0.493 216 H N 0.888 120.064 119.070 0.175 0.000 2.395 216 H HA 0.156 4.725 4.556 0.022 0.000 0.299 216 H C 0.072 175.495 175.328 0.158 0.000 1.070 216 H CA 1.832 57.998 56.048 0.196 0.000 1.356 216 H CB 0.133 30.047 29.762 0.253 0.000 1.401 216 H HN 0.323 nan 8.280 nan 0.000 0.524 217 V N 0.442 120.480 119.914 0.208 0.000 2.971 217 V HA 0.371 4.505 4.120 0.023 0.000 0.309 217 V C -0.909 175.242 176.094 0.096 0.000 1.130 217 V CA -0.947 61.410 62.300 0.095 0.000 0.964 217 V CB 2.986 34.738 31.823 -0.118 0.000 1.029 217 V HN -0.134 nan 8.190 nan 0.000 0.427 218 V N 2.477 122.392 119.914 0.001 0.000 2.709 218 V HA 0.772 4.906 4.120 0.023 0.000 0.308 218 V C -0.107 175.990 176.094 0.006 0.000 1.062 218 V CA -0.384 61.857 62.300 -0.098 0.000 0.901 218 V CB 2.242 33.759 31.823 -0.511 0.000 1.003 218 V HN 1.051 nan 8.190 nan 0.000 0.425 219 S N 2.735 118.502 115.700 0.111 0.000 2.638 219 S HA 0.940 5.423 4.470 0.023 0.000 0.302 219 S C -0.536 174.027 174.600 -0.062 0.000 1.096 219 S CA -0.590 57.644 58.200 0.057 0.000 0.953 219 S CB 2.161 65.506 63.200 0.241 0.000 1.107 219 S HN 0.946 nan 8.310 nan 0.000 0.503 220 S N 0.027 115.700 115.700 -0.046 0.000 2.615 220 S HA 0.742 5.226 4.470 0.023 0.000 0.269 220 S C -0.807 173.804 174.600 0.017 0.000 1.161 220 S CA -0.308 57.878 58.200 -0.022 0.000 0.817 220 S CB 1.173 64.374 63.200 0.000 0.000 1.131 220 S HN 1.348 nan 8.310 nan 0.000 0.467 221 T N -0.446 114.118 114.554 0.018 0.000 2.944 221 T HA 0.561 4.925 4.350 0.023 0.000 0.284 221 T C 1.033 175.788 174.700 0.093 0.000 1.010 221 T CA 0.130 62.255 62.100 0.042 0.000 1.025 221 T CB 1.040 69.912 68.868 0.007 0.000 1.079 221 T HN 0.791 nan 8.240 nan 0.000 0.516 222 T N -2.866 111.753 114.554 0.108 0.000 3.040 222 T HA 0.129 4.493 4.350 0.023 0.000 0.250 222 T C 1.336 176.108 174.700 0.119 0.000 1.058 222 T CA 0.346 62.523 62.100 0.129 0.000 0.988 222 T CB -0.427 68.488 68.868 0.079 0.000 0.993 222 T HN 0.843 nan 8.240 nan 0.000 0.519 223 H N 1.246 120.332 119.070 0.027 0.000 2.379 223 H HA 0.391 4.960 4.556 0.022 0.000 0.308 223 H C 2.089 177.446 175.328 0.048 0.000 1.047 223 H CA 0.870 56.936 56.048 0.030 0.000 1.371 223 H CB 0.181 29.951 29.762 0.013 0.000 1.449 223 H HN 0.108 nan 8.280 nan 0.000 0.564 224 K N -0.813 119.574 120.400 -0.021 0.000 2.032 224 K HA -0.195 4.138 4.320 0.023 0.000 0.218 224 K C 1.730 178.283 176.600 -0.078 0.000 1.054 224 K CA 2.297 58.540 56.287 -0.074 0.000 0.941 224 K CB -0.315 32.144 32.500 -0.067 0.000 0.720 224 K HN 0.296 nan 8.250 nan 0.000 0.449 225 T N -0.818 113.740 114.554 0.007 0.000 2.954 225 T HA 0.222 4.586 4.350 0.023 0.000 0.252 225 T C 1.309 176.210 174.700 0.335 0.000 0.983 225 T CA -0.228 61.937 62.100 0.109 0.000 0.941 225 T CB 0.358 69.245 68.868 0.032 0.000 1.141 225 T HN 0.017 nan 8.240 nan 0.000 0.500 226 L N 0.540 121.887 121.223 0.207 0.000 2.567 226 L HA 0.422 4.775 4.340 0.023 0.000 0.225 226 L C 1.201 178.137 176.870 0.110 0.000 1.119 226 L CA 0.164 55.085 54.840 0.135 0.000 0.871 226 L CB -0.064 42.038 42.059 0.070 0.000 1.036 226 L HN 0.192 nan 8.230 nan 0.000 0.459 227 R N -0.228 120.344 120.500 0.120 0.000 3.758 227 R HA -0.168 4.186 4.340 0.023 0.000 0.299 227 R C 0.708 177.042 176.300 0.056 0.000 1.182 227 R CA 0.335 56.470 56.100 0.058 0.000 0.809 227 R CB -1.861 28.569 30.300 0.216 0.000 1.249 227 R HN 0.526 nan 8.270 nan 0.000 0.497 228 G N 0.463 109.290 108.800 0.045 0.000 2.641 228 G HA2 0.572 4.545 3.960 0.023 0.000 0.239 228 G HA3 0.572 4.545 3.960 0.023 0.000 0.239 228 G C -2.386 172.595 174.900 0.135 0.000 1.402 228 G CA -0.747 44.367 45.100 0.023 0.000 1.046 228 G HN 0.018 nan 8.290 nan 0.000 0.565 229 P HA 0.213 nan 4.420 nan 0.000 0.277 229 P C -0.556 176.769 177.300 0.043 0.000 1.271 229 P CA -0.480 62.637 63.100 0.029 0.000 0.795 229 P CB 0.967 32.635 31.700 -0.052 0.000 1.101 230 R N 0.002 120.482 120.500 -0.033 0.000 2.442 230 R HA 0.559 4.912 4.340 0.023 0.000 0.291 230 R C 0.701 176.993 176.300 -0.012 0.000 1.069 230 R CA 0.531 56.619 56.100 -0.019 0.000 1.022 230 R CB -0.017 30.235 30.300 -0.080 0.000 0.976 230 R HN 0.843 nan 8.270 nan 0.000 0.443 231 G N 0.493 109.301 108.800 0.014 0.000 2.313 231 G HA2 0.376 4.350 3.960 0.023 0.000 0.296 231 G HA3 0.376 4.350 3.960 0.023 0.000 0.296 231 G C -1.386 173.533 174.900 0.033 0.000 1.356 231 G CA -0.454 44.651 45.100 0.007 0.000 0.833 231 G HN 0.716 nan 8.290 nan 0.000 0.552 232 G N -1.050 107.772 108.800 0.036 0.000 2.511 232 G HA2 0.922 4.896 3.960 0.023 0.000 0.318 232 G HA3 0.922 4.896 3.960 0.023 0.000 0.318 232 G C -0.436 174.505 174.900 0.068 0.000 1.210 232 G CA -0.376 44.752 45.100 0.047 0.000 0.969 232 G HN 1.553 nan 8.290 nan 0.000 0.484 233 I N -2.014 118.593 120.570 0.062 0.000 2.894 233 I HA 0.733 4.916 4.170 0.023 0.000 0.302 233 I C -1.158 174.954 176.117 -0.008 0.000 1.188 233 I CA -1.263 60.073 61.300 0.060 0.000 1.014 233 I CB 2.384 40.456 38.000 0.121 0.000 1.242 233 I HN 0.364 nan 8.210 nan 0.000 0.430 237 N N 1.185 119.941 118.700 0.094 0.000 2.205 237 N HA 0.153 4.907 4.740 0.023 0.000 0.201 237 N C -0.732 174.943 175.510 0.275 0.000 1.128 237 N CA -0.050 53.048 53.050 0.081 0.000 0.867 237 N CB 0.560 38.952 38.487 -0.158 0.000 0.996 237 N HN 0.589 nan 8.380 nan 0.000 0.503 238 D N 1.105 121.615 120.400 0.183 0.000 2.329 238 D HA 0.047 4.700 4.640 0.023 0.000 0.232 238 D C 0.812 176.986 176.300 -0.210 0.000 1.088 238 D CA -0.131 53.906 54.000 0.062 0.000 0.835 238 D CB 1.774 42.613 40.800 0.065 0.000 1.078 238 D HN 0.073 nan 8.370 nan 0.000 0.495 239 E N 2.817 122.863 120.200 -0.256 0.000 2.106 239 E HA -0.174 4.189 4.350 0.023 0.000 0.192 239 E C 0.928 177.255 176.600 -0.456 0.000 0.984 239 E CA 0.905 56.899 56.400 -0.678 0.000 0.806 239 E CB 0.419 29.972 29.700 -0.246 0.000 0.750 239 E HN 0.436 nan 8.360 nan 0.000 0.458 240 E N 0.585 120.646 120.200 -0.231 0.000 2.072 240 E HA -0.159 4.205 4.350 0.023 0.000 0.191 240 E C 2.294 178.779 176.600 -0.192 0.000 0.985 240 E CA 0.714 57.013 56.400 -0.169 0.000 0.801 240 E CB -0.222 29.428 29.700 -0.084 0.000 0.750 240 E HN 0.398 nan 8.360 nan 0.000 0.452 241 L N 0.450 121.562 121.223 -0.186 0.000 2.083 241 L HA -0.129 4.224 4.340 0.023 0.000 0.209 241 L C 2.547 179.269 176.870 -0.246 0.000 1.083 241 L CA 1.003 55.728 54.840 -0.191 0.000 0.752 241 L CB -0.632 41.340 42.059 -0.146 0.000 0.899 241 L HN 0.052 nan 8.230 nan 0.000 0.433 242 A N 0.498 123.099 122.820 -0.365 0.000 1.883 242 A HA -0.240 4.094 4.320 0.023 0.000 0.217 242 A C 2.343 179.731 177.584 -0.325 0.000 1.186 242 A CA 1.817 53.606 52.037 -0.413 0.000 0.624 242 A CB -0.378 18.102 19.000 -0.867 0.000 0.822 242 A HN 0.333 nan 8.150 nan 0.000 0.444 243 K N -0.305 119.905 120.400 -0.317 0.000 2.097 243 K HA -0.141 4.192 4.320 0.023 0.000 0.206 243 K C 2.078 178.578 176.600 -0.167 0.000 1.049 243 K CA 1.641 57.794 56.287 -0.224 0.000 0.933 243 K CB -0.171 32.221 32.500 -0.180 0.000 0.717 243 K HN 0.442 nan 8.250 nan 0.000 0.442 244 K N 0.642 120.945 120.400 -0.162 0.000 2.097 244 K HA -0.048 4.285 4.320 0.023 0.000 0.205 244 K C 2.109 178.634 176.600 -0.124 0.000 1.050 244 K CA 0.991 57.201 56.287 -0.129 0.000 0.938 244 K CB -0.070 32.348 32.500 -0.136 0.000 0.718 244 K HN 0.081 nan 8.250 nan 0.000 0.442 245 I N 1.733 122.211 120.570 -0.153 0.000 2.226 245 I HA -0.297 3.886 4.170 0.023 0.000 0.245 245 I C 1.768 177.837 176.117 -0.079 0.000 1.100 245 I CA 1.023 62.243 61.300 -0.133 0.000 1.374 245 I CB -0.278 37.631 38.000 -0.152 0.000 1.057 245 I HN 0.168 nan 8.210 nan 0.000 0.413 246 N N 0.457 119.080 118.700 -0.128 0.000 2.120 246 N HA -0.140 4.614 4.740 0.023 0.000 0.188 246 N C 2.006 177.573 175.510 0.095 0.000 1.024 246 N CA 1.567 54.541 53.050 -0.128 0.000 0.852 246 N CB -0.419 37.775 38.487 -0.488 0.000 1.003 246 N HN 0.212 nan 8.380 nan 0.000 0.424 247 S N 0.674 116.385 115.700 0.018 0.000 2.383 247 S HA 0.006 4.490 4.470 0.023 0.000 0.227 247 S C 2.069 176.675 174.600 0.010 0.000 1.026 247 S CA 0.934 59.154 58.200 0.034 0.000 0.981 247 S CB -0.237 62.953 63.200 -0.018 0.000 0.818 247 S HN 0.497 nan 8.310 nan 0.000 0.472 248 A N 1.794 124.612 122.820 -0.003 0.000 1.898 248 A HA -0.028 4.305 4.320 0.023 0.000 0.216 248 A C 2.007 179.606 177.584 0.025 0.000 1.181 248 A CA 1.030 53.062 52.037 -0.008 0.000 0.620 248 A CB -0.523 18.456 19.000 -0.035 0.000 0.819 248 A HN 0.390 nan 8.150 nan 0.000 0.442 249 I N -2.468 118.147 120.570 0.075 0.000 2.202 249 I HA 0.009 4.192 4.170 0.023 0.000 0.242 249 I C 0.650 176.871 176.117 0.175 0.000 1.091 249 I CA 1.245 62.618 61.300 0.121 0.000 1.368 249 I CB -0.701 37.399 38.000 0.167 0.000 1.058 249 I HN 0.363 nan 8.210 nan 0.000 0.410 250 F N 2.881 122.863 119.950 0.053 0.000 2.585 250 F HA 0.430 4.971 4.527 0.023 0.000 0.319 250 F C -2.260 173.549 175.800 0.015 0.000 1.165 250 F CA -1.795 56.185 58.000 -0.034 0.000 0.949 250 F CB 2.134 41.008 39.000 -0.210 0.000 1.218 250 F HN -0.245 nan 8.300 nan 0.000 0.453 251 P HA 0.183 nan 4.420 nan 0.000 0.262 251 P C 1.076 178.180 177.300 -0.326 0.000 1.304 251 P CA 0.488 62.986 63.100 -1.003 0.000 0.859 251 P CB 0.553 31.678 31.700 -0.958 0.000 1.310 252 G N 1.048 109.746 108.800 -0.170 0.000 2.421 252 G HA2 -0.174 3.800 3.960 0.023 0.000 0.216 252 G HA3 -0.174 3.800 3.960 0.023 0.000 0.216 252 G C 1.356 176.241 174.900 -0.026 0.000 1.171 252 G CA 0.654 45.709 45.100 -0.075 0.000 0.775 252 G HN 0.301 nan 8.290 nan 0.000 0.543 253 I N -1.309 119.265 120.570 0.008 0.000 4.471 253 I HA 0.225 4.408 4.170 0.023 0.000 0.326 253 I C 0.678 176.829 176.117 0.057 0.000 1.300 253 I CA 0.103 61.425 61.300 0.036 0.000 1.237 253 I CB 0.638 38.665 38.000 0.045 0.000 1.195 253 I HN 0.122 nan 8.210 nan 0.000 0.427 254 Q N -0.500 119.352 119.800 0.086 0.000 2.528 254 Q HA 0.511 4.865 4.340 0.023 0.000 0.289 254 Q C -0.064 176.067 176.000 0.219 0.000 1.091 254 Q CA -0.564 55.312 55.803 0.122 0.000 0.797 254 Q CB 2.529 31.329 28.738 0.104 0.000 1.466 254 Q HN 0.135 nan 8.270 nan 0.000 0.436 255 G N -0.193 108.731 108.800 0.206 0.000 3.434 255 G HA2 0.480 4.453 3.960 0.023 0.000 0.192 255 G HA3 0.480 4.453 3.960 0.023 0.000 0.192 255 G C -0.110 174.808 174.900 0.032 0.000 1.704 255 G CA -0.095 45.164 45.100 0.266 0.000 0.936 255 G HN 0.563 nan 8.290 nan 0.000 0.623 256 G N 1.241 110.083 108.800 0.070 0.000 2.441 256 G HA2 0.496 4.470 3.960 0.023 0.000 0.243 256 G HA3 0.496 4.470 3.960 0.023 0.000 0.243 256 G C -2.000 172.905 174.900 0.007 0.000 1.281 256 G CA -0.364 44.702 45.100 -0.057 0.000 0.854 256 G HN 0.430 nan 8.290 nan 0.000 0.560 257 P HA 0.336 nan 4.420 nan 0.000 0.279 257 P C 0.136 177.434 177.300 -0.004 0.000 1.276 257 P CA -0.607 62.456 63.100 -0.061 0.000 0.801 257 P CB 1.333 32.960 31.700 -0.120 0.000 1.127 261 V N 2.423 121.945 119.914 -0.653 0.000 2.453 261 V HA -0.076 4.057 4.120 0.023 0.000 0.247 261 V C 2.855 178.824 176.094 -0.209 0.000 1.048 261 V CA 1.827 63.886 62.300 -0.402 0.000 1.049 261 V CB -0.488 31.090 31.823 -0.408 0.000 0.672 261 V HN 0.235 nan 8.190 nan 0.000 0.457 262 I N 0.674 121.148 120.570 -0.159 0.000 2.226 262 I HA -0.237 3.947 4.170 0.023 0.000 0.245 262 I C 2.684 178.751 176.117 -0.083 0.000 1.100 262 I CA 1.466 62.711 61.300 -0.091 0.000 1.374 262 I CB -0.524 37.451 38.000 -0.043 0.000 1.057 262 I HN 0.301 nan 8.210 nan 0.000 0.413 263 A N 0.794 123.579 122.820 -0.058 0.000 1.902 263 A HA -0.176 4.157 4.320 0.023 0.000 0.217 263 A C 2.562 180.099 177.584 -0.077 0.000 1.181 263 A CA 1.837 53.852 52.037 -0.037 0.000 0.623 263 A CB -0.833 18.169 19.000 0.003 0.000 0.818 263 A HN 0.429 nan 8.150 nan 0.000 0.443 264 A N -0.158 122.606 122.820 -0.093 0.000 1.908 264 A HA -0.200 4.133 4.320 0.023 0.000 0.218 264 A C 2.104 179.559 177.584 -0.216 0.000 1.181 264 A CA 1.926 53.894 52.037 -0.116 0.000 0.627 264 A CB -0.463 18.483 19.000 -0.090 0.000 0.818 264 A HN 0.565 nan 8.150 nan 0.000 0.445 265 K N -0.396 119.829 120.400 -0.293 0.000 2.057 265 K HA -0.088 4.246 4.320 0.023 0.000 0.207 265 K C 2.327 178.415 176.600 -0.854 0.000 1.049 265 K CA 1.154 57.077 56.287 -0.606 0.000 0.931 265 K CB -0.344 31.853 32.500 -0.504 0.000 0.714 265 K HN 0.456 nan 8.250 nan 0.000 0.440 266 A N 1.052 123.642 122.820 -0.383 0.000 1.902 266 A HA -0.132 4.202 4.320 0.023 0.000 0.217 266 A C 2.385 179.908 177.584 -0.102 0.000 1.181 266 A CA 1.481 53.431 52.037 -0.144 0.000 0.623 266 A CB -0.697 18.299 19.000 -0.006 0.000 0.818 266 A HN 0.071 nan 8.150 nan 0.000 0.443 267 V N 0.020 119.865 119.914 -0.115 0.000 2.287 267 V HA -0.210 3.924 4.120 0.023 0.000 0.248 267 V C 2.849 178.908 176.094 -0.057 0.000 1.053 267 V CA 2.048 64.311 62.300 -0.061 0.000 1.027 267 V CB -1.601 30.185 31.823 -0.062 0.000 0.646 267 V HN 0.610 nan 8.190 nan 0.000 0.447 268 G N -0.360 108.346 108.800 -0.157 0.000 2.446 268 G HA2 -0.251 3.723 3.960 0.023 0.000 0.217 268 G HA3 -0.251 3.723 3.960 0.023 0.000 0.217 268 G C 1.394 176.278 174.900 -0.025 0.000 1.168 268 G CA 1.007 46.037 45.100 -0.117 0.000 0.771 268 G HN 0.428 nan 8.290 nan 0.000 0.551 269 F N 1.204 121.118 119.950 -0.060 0.000 2.171 269 F HA 0.036 4.576 4.527 0.022 0.000 0.300 269 F C 2.457 178.198 175.800 -0.098 0.000 1.090 269 F CA 0.951 58.883 58.000 -0.114 0.000 1.293 269 F CB -0.687 38.274 39.000 -0.065 0.000 1.013 269 F HN 0.166 nan 8.300 nan 0.000 0.486 270 K N -0.327 120.161 120.400 0.147 0.000 2.057 270 K HA -0.235 4.098 4.320 0.023 0.000 0.207 270 K C 2.233 178.906 176.600 0.120 0.000 1.049 270 K CA 1.426 57.777 56.287 0.106 0.000 0.931 270 K CB -0.513 32.044 32.500 0.095 0.000 0.714 270 K HN 0.159 nan 8.250 nan 0.000 0.440 271 F N 2.225 122.159 119.950 -0.026 0.000 2.134 271 F HA -0.124 4.416 4.527 0.022 0.000 0.299 271 F C 1.376 177.146 175.800 -0.049 0.000 1.097 271 F CA 1.856 59.853 58.000 -0.005 0.000 1.264 271 F CB -0.483 38.518 39.000 0.001 0.000 1.001 271 F HN 0.170 nan 8.300 nan 0.000 0.479 272 N N 0.148 118.641 118.700 -0.346 0.000 2.289 272 N HA -0.161 4.592 4.740 0.023 0.000 0.184 272 N C 1.673 176.909 175.510 -0.457 0.000 1.016 272 N CA 1.151 53.684 53.050 -0.861 0.000 0.872 272 N CB -0.249 37.725 38.487 -0.855 0.000 0.973 272 N HN 0.314 nan 8.380 nan 0.000 0.433 273 L N 0.539 121.631 121.223 -0.219 0.000 2.554 273 L HA 0.057 4.410 4.340 0.023 0.000 0.226 273 L C 1.008 177.843 176.870 -0.057 0.000 1.137 273 L CA -0.168 54.599 54.840 -0.121 0.000 0.863 273 L CB -0.266 41.752 42.059 -0.068 0.000 0.985 273 L HN 0.170 nan 8.230 nan 0.000 0.451 274 S N -1.754 113.908 115.700 -0.062 0.000 2.632 274 S HA 0.071 4.555 4.470 0.023 0.000 0.267 274 S C 0.792 175.395 174.600 0.005 0.000 1.276 274 S CA -0.752 57.439 58.200 -0.016 0.000 0.998 274 S CB 1.128 64.328 63.200 0.001 0.000 0.953 274 S HN 0.064 nan 8.310 nan 0.000 0.547 275 D N 1.024 121.438 120.400 0.022 0.000 2.178 275 D HA -0.068 4.586 4.640 0.023 0.000 0.202 275 D C 1.677 177.992 176.300 0.025 0.000 0.974 275 D CA 1.295 55.312 54.000 0.029 0.000 0.841 275 D CB -0.362 40.456 40.800 0.031 0.000 0.953 275 D HN 0.718 nan 8.370 nan 0.000 0.478 276 E N 0.304 120.516 120.200 0.019 0.000 2.160 276 E HA -0.162 4.202 4.350 0.023 0.000 0.195 276 E C 1.761 178.329 176.600 -0.054 0.000 0.991 276 E CA 0.512 56.922 56.400 0.016 0.000 0.810 276 E CB -0.301 29.459 29.700 0.100 0.000 0.742 276 E HN 0.467 nan 8.360 nan 0.000 0.466 277 W N 1.590 122.698 121.300 -0.319 0.000 2.358 277 W HA -0.211 4.462 4.660 0.022 0.000 0.303 277 W C 1.375 177.864 176.519 -0.050 0.000 1.208 277 W CA 1.419 58.590 57.345 -0.290 0.000 1.274 277 W CB -0.064 29.185 29.460 -0.353 0.000 1.138 277 W HN 0.053 nan 8.180 nan 0.000 0.515 278 K N -0.027 120.373 120.400 -0.000 0.000 2.097 278 K HA -0.177 4.157 4.320 0.023 0.000 0.206 278 K C 1.799 178.325 176.600 -0.123 0.000 1.049 278 K CA 1.745 58.000 56.287 -0.054 0.000 0.933 278 K CB -0.625 31.886 32.500 0.018 0.000 0.717 278 K HN 0.003 nan 8.250 nan 0.000 0.442 279 V N 0.803 120.671 119.914 -0.077 0.000 2.287 279 V HA -0.290 3.843 4.120 0.023 0.000 0.248 279 V C 2.086 178.119 176.094 -0.102 0.000 1.053 279 V CA 1.846 64.111 62.300 -0.058 0.000 1.027 279 V CB -0.607 31.215 31.823 -0.000 0.000 0.646 279 V HN 0.287 nan 8.190 nan 0.000 0.447 280 Y N 1.599 121.727 120.300 -0.287 0.000 2.097 280 Y HA -0.272 4.291 4.550 0.022 0.000 0.282 280 Y C 2.390 178.035 175.900 -0.425 0.000 1.152 280 Y CA 1.760 59.638 58.100 -0.369 0.000 1.136 280 Y CB -0.782 37.338 38.460 -0.566 0.000 0.975 280 Y HN 0.136 nan 8.280 nan 0.000 0.498 281 A N 0.394 122.764 122.820 -0.750 0.000 1.902 281 A HA -0.228 4.105 4.320 0.023 0.000 0.217 281 A C 2.343 179.698 177.584 -0.382 0.000 1.181 281 A CA 1.991 53.639 52.037 -0.649 0.000 0.623 281 A CB -0.851 17.901 19.000 -0.413 0.000 0.818 281 A HN 0.560 nan 8.150 nan 0.000 0.443 282 K N -0.891 119.354 120.400 -0.258 0.000 2.057 282 K HA -0.253 4.081 4.320 0.023 0.000 0.207 282 K C 2.270 178.771 176.600 -0.165 0.000 1.049 282 K CA 1.832 58.026 56.287 -0.155 0.000 0.931 282 K CB -0.153 32.289 32.500 -0.097 0.000 0.714 282 K HN 0.426 nan 8.250 nan 0.000 0.440 283 Q N 0.432 120.109 119.800 -0.205 0.000 2.119 283 Q HA -0.093 4.260 4.340 0.023 0.000 0.201 283 Q C 1.790 177.673 176.000 -0.197 0.000 0.972 283 Q CA 1.414 57.122 55.803 -0.159 0.000 0.847 283 Q CB -0.042 28.631 28.738 -0.109 0.000 0.903 283 Q HN 0.192 nan 8.270 nan 0.000 0.433 284 V N 0.577 120.278 119.914 -0.355 0.000 2.287 284 V HA -0.322 3.812 4.120 0.023 0.000 0.248 284 V C 2.328 178.340 176.094 -0.137 0.000 1.053 284 V CA 2.381 64.502 62.300 -0.298 0.000 1.027 284 V CB -0.497 31.056 31.823 -0.449 0.000 0.646 284 V HN 0.377 nan 8.190 nan 0.000 0.447 285 R N -0.551 119.877 120.500 -0.121 0.000 2.075 285 R HA -0.120 4.233 4.340 0.023 0.000 0.232 285 R C 2.435 178.706 176.300 -0.048 0.000 1.126 285 R CA 1.855 57.922 56.100 -0.055 0.000 0.963 285 R CB -0.730 29.546 30.300 -0.039 0.000 0.858 285 R HN 0.505 nan 8.270 nan 0.000 0.435 286 T N 1.328 115.847 114.554 -0.059 0.000 2.720 286 T HA -0.112 4.252 4.350 0.023 0.000 0.268 286 T C 1.479 176.160 174.700 -0.031 0.000 1.037 286 T CA 1.457 63.533 62.100 -0.041 0.000 1.144 286 T CB -0.277 68.567 68.868 -0.040 0.000 0.864 286 T HN 0.236 nan 8.240 nan 0.000 0.444 287 N N 1.433 120.111 118.700 -0.036 0.000 2.166 287 N HA 0.003 4.756 4.740 0.023 0.000 0.186 287 N C 2.042 177.543 175.510 -0.015 0.000 1.019 287 N CA 1.273 54.314 53.050 -0.016 0.000 0.856 287 N CB -0.596 37.886 38.487 -0.009 0.000 0.993 287 N HN 0.442 nan 8.380 nan 0.000 0.426 288 A N 0.841 123.645 122.820 -0.026 0.000 1.969 288 A HA -0.116 4.218 4.320 0.023 0.000 0.218 288 A C 2.115 179.682 177.584 -0.029 0.000 1.169 288 A CA 1.030 53.049 52.037 -0.030 0.000 0.635 288 A CB -0.275 18.704 19.000 -0.035 0.000 0.810 288 A HN 0.144 nan 8.150 nan 0.000 0.445 289 Q N -0.261 119.523 119.800 -0.026 0.000 2.119 289 Q HA -0.090 4.264 4.340 0.023 0.000 0.201 289 Q C 2.329 178.319 176.000 -0.016 0.000 0.972 289 Q CA 1.559 57.348 55.803 -0.023 0.000 0.847 289 Q CB -0.631 28.094 28.738 -0.022 0.000 0.903 289 Q HN 0.498 nan 8.270 nan 0.000 0.433 290 V N 1.206 121.113 119.914 -0.012 0.000 2.307 290 V HA -0.236 3.898 4.120 0.023 0.000 0.245 290 V C 2.372 178.465 176.094 -0.002 0.000 1.045 290 V CA 1.366 63.663 62.300 -0.007 0.000 1.024 290 V CB -0.716 31.104 31.823 -0.005 0.000 0.651 290 V HN 0.236 nan 8.190 nan 0.000 0.449 291 L N 1.147 122.368 121.223 -0.003 0.000 1.990 291 L HA -0.178 4.176 4.340 0.023 0.000 0.213 291 L C 2.457 179.325 176.870 -0.004 0.000 1.072 291 L CA 2.631 57.469 54.840 -0.003 0.000 0.755 291 L CB -1.075 40.978 42.059 -0.011 0.000 0.889 291 L HN 0.233 nan 8.230 nan 0.000 0.432 292 A N -0.649 122.163 122.820 -0.012 0.000 1.902 292 A HA -0.213 4.121 4.320 0.023 0.000 0.217 292 A C 2.111 179.700 177.584 0.008 0.000 1.181 292 A CA 1.857 53.888 52.037 -0.010 0.000 0.623 292 A CB -0.808 18.176 19.000 -0.026 0.000 0.818 292 A HN 0.624 nan 8.150 nan 0.000 0.443 293 N N 0.106 118.809 118.700 0.005 0.000 2.142 293 N HA -0.108 4.646 4.740 0.023 0.000 0.186 293 N C 1.730 177.256 175.510 0.026 0.000 1.023 293 N CA 1.582 54.639 53.050 0.011 0.000 0.852 293 N CB -0.563 37.925 38.487 0.003 0.000 0.998 293 N HN 0.259 nan 8.380 nan 0.000 0.424 294 V N 1.829 121.758 119.914 0.026 0.000 2.295 294 V HA -0.122 4.011 4.120 0.023 0.000 0.246 294 V C 1.649 177.791 176.094 0.081 0.000 1.049 294 V CA 0.873 63.196 62.300 0.039 0.000 1.024 294 V CB -0.410 31.426 31.823 0.022 0.000 0.648 294 V HN 0.162 nan 8.190 nan 0.000 0.447 298 R N 1.684 122.255 120.500 0.118 0.000 2.325 298 R HA 0.170 4.524 4.340 0.023 0.000 0.214 298 R C 0.087 176.414 176.300 0.044 0.000 0.961 298 R CA 0.148 56.333 56.100 0.141 0.000 1.086 298 R CB -0.219 30.253 30.300 0.287 0.000 1.037 298 R HN 0.272 nan 8.270 nan 0.000 0.493 299 K N -0.485 119.926 120.400 0.019 0.000 3.291 299 K HA -0.162 4.172 4.320 0.023 0.000 0.290 299 K C -0.704 175.773 176.600 -0.206 0.000 1.235 299 K CA 0.522 56.753 56.287 -0.095 0.000 0.848 299 K CB -1.795 30.614 32.500 -0.151 0.000 1.295 299 K HN 0.017 nan 8.250 nan 0.000 0.497 300 F N 1.316 121.309 119.950 0.072 0.000 2.399 300 F HA 0.323 4.863 4.527 0.022 0.000 0.328 300 F C 0.841 176.670 175.800 0.049 0.000 1.084 300 F CA -0.725 57.335 58.000 0.100 0.000 1.053 300 F CB 0.965 40.056 39.000 0.153 0.000 1.209 300 F HN -0.198 nan 8.300 nan 0.000 0.502 301 K N 2.998 123.530 120.400 0.220 0.000 2.227 301 K HA 0.509 4.843 4.320 0.023 0.000 0.280 301 K C -1.514 175.108 176.600 0.035 0.000 1.041 301 K CA -0.012 56.325 56.287 0.084 0.000 0.905 301 K CB 0.310 32.830 32.500 0.034 0.000 1.068 301 K HN 0.596 nan 8.250 nan 0.000 0.470 302 L N 4.459 125.684 121.223 0.003 0.000 2.317 302 L HA 0.439 4.793 4.340 0.023 0.000 0.281 302 L C -0.361 176.469 176.870 -0.066 0.000 1.024 302 L CA -1.712 53.101 54.840 -0.046 0.000 0.810 302 L CB 1.893 43.931 42.059 -0.036 0.000 1.240 302 L HN 0.329 nan 8.230 nan 0.000 0.427 303 V N 2.753 122.610 119.914 -0.095 0.000 2.540 303 V HA -0.041 4.092 4.120 0.023 0.000 0.297 303 V C 1.141 177.181 176.094 -0.090 0.000 1.024 303 V CA 1.172 63.419 62.300 -0.088 0.000 1.105 303 V CB 0.717 32.482 31.823 -0.096 0.000 0.938 303 V HN 1.169 nan 8.190 nan 0.000 0.482 304 S N 2.522 118.179 115.700 -0.072 0.000 2.929 304 S HA -0.255 4.228 4.470 0.023 0.000 0.271 304 S C 0.376 174.938 174.600 -0.064 0.000 1.295 304 S CA 0.821 58.976 58.200 -0.075 0.000 1.277 304 S CB -1.805 61.321 63.200 -0.124 0.000 1.557 304 S HN 1.197 nan 8.310 nan 0.000 0.666 305 D N 0.486 120.853 120.400 -0.054 0.000 2.907 305 D HA 0.047 4.700 4.640 0.023 0.000 0.226 305 D C 0.789 177.064 176.300 -0.041 0.000 1.141 305 D CA 2.307 56.285 54.000 -0.037 0.000 0.779 305 D CB -1.617 39.166 40.800 -0.028 0.000 1.095 305 D HN 1.982 nan 8.370 nan 0.000 0.430 306 G N -2.123 106.642 108.800 -0.057 0.000 2.332 306 G HA2 0.433 4.406 3.960 0.023 0.000 0.265 306 G HA3 0.433 4.406 3.960 0.023 0.000 0.265 306 G C -1.124 173.724 174.900 -0.087 0.000 1.329 306 G CA 0.229 45.294 45.100 -0.059 0.000 0.949 306 G HN 0.508 nan 8.290 nan 0.000 0.476 307 T N -1.476 113.029 114.554 -0.082 0.000 2.853 307 T HA 0.584 4.948 4.350 0.023 0.000 0.311 307 T C -1.072 173.585 174.700 -0.072 0.000 1.307 307 T CA 0.198 62.238 62.100 -0.100 0.000 1.019 307 T CB 1.913 70.720 68.868 -0.103 0.000 1.264 307 T HN 0.333 nan 8.240 nan 0.000 0.497 308 D N 1.232 121.592 120.400 -0.066 0.000 2.441 308 D HA 0.202 4.855 4.640 0.023 0.000 0.210 308 D C 0.646 176.966 176.300 0.033 0.000 1.102 308 D CA 0.271 54.258 54.000 -0.022 0.000 0.840 308 D CB 0.520 41.306 40.800 -0.024 0.000 0.990 308 D HN 0.645 nan 8.370 nan 0.000 0.505 309 N N -0.723 117.997 118.700 0.033 0.000 3.539 309 N HA -0.024 4.729 4.740 0.023 0.000 0.329 309 N C 0.857 176.416 175.510 0.082 0.000 1.510 309 N CA -0.291 52.835 53.050 0.126 0.000 0.654 309 N CB -0.252 38.392 38.487 0.263 0.000 2.690 309 N HN -0.127 nan 8.380 nan 0.000 0.567 310 H N -0.826 118.245 119.070 0.002 0.000 2.551 310 H HA 0.379 4.948 4.556 0.022 0.000 0.271 310 H C -0.008 175.307 175.328 -0.021 0.000 0.984 310 H CA -0.292 55.743 56.048 -0.021 0.000 1.164 310 H CB -0.351 29.406 29.762 -0.009 0.000 1.437 310 H HN 0.504 nan 8.280 nan 0.000 0.550 311 L N -1.219 119.703 121.223 -0.502 0.000 2.333 311 L HA 0.765 5.118 4.340 0.023 0.000 0.263 311 L C -1.101 175.633 176.870 -0.227 0.000 1.014 311 L CA -1.321 53.282 54.840 -0.396 0.000 0.820 311 L CB 2.446 44.176 42.059 -0.547 0.000 1.352 311 L HN -0.203 nan 8.230 nan 0.000 0.421 312 V N 2.163 121.978 119.914 -0.164 0.000 2.735 312 V HA 0.693 4.826 4.120 0.023 0.000 0.310 312 V C -0.523 175.496 176.094 -0.126 0.000 1.061 312 V CA -0.406 61.818 62.300 -0.127 0.000 0.913 312 V CB 1.852 33.621 31.823 -0.089 0.000 1.005 312 V HN 0.885 nan 8.190 nan 0.000 0.428 316 F N 4.507 124.421 119.950 -0.061 0.000 2.850 316 F HA 0.426 4.967 4.527 0.023 0.000 0.306 316 F C 1.358 177.056 175.800 -0.169 0.000 1.162 316 F CA -0.540 57.355 58.000 -0.175 0.000 1.327 316 F CB -0.112 38.686 39.000 -0.337 0.000 0.953 316 F HN 0.496 nan 8.300 nan 0.000 0.507 317 L N 0.520 121.749 121.223 0.010 0.000 2.201 317 L HA -0.146 4.208 4.340 0.023 0.000 0.212 317 L C 1.703 178.563 176.870 -0.017 0.000 1.105 317 L CA 1.177 56.011 54.840 -0.010 0.000 0.775 317 L CB -0.211 41.835 42.059 -0.023 0.000 0.913 317 L HN 0.205 nan 8.230 nan 0.000 0.440 318 D N -1.192 119.200 120.400 -0.013 0.000 2.342 318 D HA 0.020 4.674 4.640 0.023 0.000 0.221 318 D C 0.659 176.931 176.300 -0.048 0.000 1.101 318 D CA -0.026 53.960 54.000 -0.024 0.000 0.837 318 D CB 0.296 41.087 40.800 -0.016 0.000 0.938 318 D HN 0.081 nan 8.370 nan 0.000 0.508 319 R N 0.839 121.283 120.500 -0.094 0.000 2.902 319 R HA 0.223 4.577 4.340 0.023 0.000 0.258 319 R C 1.562 177.732 176.300 -0.217 0.000 1.071 319 R CA -0.539 55.434 56.100 -0.212 0.000 1.024 319 R CB 0.866 30.856 30.300 -0.516 0.000 1.184 319 R HN 0.017 nan 8.270 nan 0.000 0.492 320 E N 1.056 121.161 120.200 -0.157 0.000 2.107 320 E HA -0.075 4.288 4.350 0.023 0.000 0.191 320 E C 0.557 177.153 176.600 -0.006 0.000 0.982 320 E CA 1.098 57.486 56.400 -0.018 0.000 0.809 320 E CB -0.356 29.405 29.700 0.103 0.000 0.756 320 E HN 0.443 nan 8.360 nan 0.000 0.459 321 F N 1.997 121.921 119.950 -0.042 0.000 2.411 321 F HA 0.577 5.118 4.527 0.023 0.000 0.324 321 F C 0.562 176.339 175.800 -0.038 0.000 1.086 321 F CA -1.192 56.767 58.000 -0.068 0.000 1.028 321 F CB 0.705 39.619 39.000 -0.144 0.000 1.284 321 F HN -0.102 nan 8.300 nan 0.000 0.501 322 S N 0.035 115.843 115.700 0.180 0.000 2.707 322 S HA 0.544 5.027 4.470 0.023 0.000 0.276 322 S C 1.067 175.850 174.600 0.305 0.000 1.179 322 S CA -0.335 57.969 58.200 0.172 0.000 0.992 322 S CB 0.922 64.207 63.200 0.141 0.000 1.030 322 S HN 1.080 nan 8.310 nan 0.000 0.554 323 G N 0.382 109.391 108.800 0.348 0.000 2.418 323 G HA2 -0.190 3.783 3.960 0.023 0.000 0.217 323 G HA3 -0.190 3.783 3.960 0.023 0.000 0.217 323 G C 1.274 176.326 174.900 0.254 0.000 1.158 323 G CA 0.890 46.232 45.100 0.404 0.000 0.771 323 G HN 0.782 nan 8.290 nan 0.000 0.545 324 K N 0.229 120.734 120.400 0.175 0.000 2.097 324 K HA -0.107 4.227 4.320 0.023 0.000 0.206 324 K C 1.964 178.626 176.600 0.103 0.000 1.049 324 K CA 1.417 57.779 56.287 0.125 0.000 0.933 324 K CB -0.089 32.475 32.500 0.108 0.000 0.717 324 K HN 0.106 nan 8.250 nan 0.000 0.442 325 D N 0.481 120.950 120.400 0.116 0.000 2.104 325 D HA -0.171 4.483 4.640 0.023 0.000 0.194 325 D C 1.791 178.088 176.300 -0.005 0.000 0.994 325 D CA 1.523 55.561 54.000 0.063 0.000 0.830 325 D CB -0.251 40.612 40.800 0.105 0.000 0.959 325 D HN 0.361 nan 8.370 nan 0.000 0.452 326 A N 1.026 123.871 122.820 0.041 0.000 1.902 326 A HA -0.212 4.121 4.320 0.023 0.000 0.217 326 A C 1.990 179.582 177.584 0.013 0.000 1.181 326 A CA 1.969 53.978 52.037 -0.047 0.000 0.623 326 A CB -0.569 18.486 19.000 0.091 0.000 0.818 326 A HN 0.133 nan 8.150 nan 0.000 0.443 327 D N 0.148 120.596 120.400 0.080 0.000 2.123 327 D HA -0.141 4.512 4.640 0.023 0.000 0.196 327 D C 1.840 178.155 176.300 0.025 0.000 0.992 327 D CA 1.395 55.431 54.000 0.062 0.000 0.833 327 D CB -0.266 40.582 40.800 0.079 0.000 0.954 327 D HN 0.440 nan 8.370 nan 0.000 0.455 328 L N -0.005 121.228 121.223 0.017 0.000 2.109 328 L HA -0.026 4.327 4.340 0.023 0.000 0.207 328 L C 2.703 179.559 176.870 -0.024 0.000 1.086 328 L CA 0.925 55.766 54.840 0.002 0.000 0.760 328 L CB -0.454 41.609 42.059 0.006 0.000 0.910 328 L HN 0.013 nan 8.230 nan 0.000 0.437 329 A N 0.337 123.125 122.820 -0.054 0.000 1.877 329 A HA -0.172 4.162 4.320 0.023 0.000 0.216 329 A C 2.254 179.801 177.584 -0.062 0.000 1.186 329 A CA 1.369 53.358 52.037 -0.081 0.000 0.620 329 A CB -0.713 18.196 19.000 -0.151 0.000 0.822 329 A HN 0.319 nan 8.150 nan 0.000 0.443 330 L N -0.744 120.449 121.223 -0.051 0.000 2.042 330 L HA -0.169 4.184 4.340 0.023 0.000 0.210 330 L C 2.847 179.708 176.870 -0.016 0.000 1.076 330 L CA 1.313 56.135 54.840 -0.030 0.000 0.749 330 L CB -1.035 41.017 42.059 -0.012 0.000 0.893 330 L HN 0.534 nan 8.230 nan 0.000 0.432 331 G N -0.147 108.649 108.800 -0.007 0.000 2.440 331 G HA2 -0.344 3.630 3.960 0.023 0.000 0.218 331 G HA3 -0.344 3.630 3.960 0.023 0.000 0.218 331 G C 1.346 176.242 174.900 -0.007 0.000 1.154 331 G CA 1.039 46.139 45.100 0.001 0.000 0.767 331 G HN 0.340 nan 8.290 nan 0.000 0.552 332 N N 0.834 119.524 118.700 -0.017 0.000 2.453 332 N HA 0.081 4.835 4.740 0.023 0.000 0.183 332 N C 1.905 177.398 175.510 -0.029 0.000 1.041 332 N CA 1.017 54.054 53.050 -0.021 0.000 0.900 332 N CB -0.166 38.304 38.487 -0.028 0.000 0.961 332 N HN 0.240 nan 8.380 nan 0.000 0.443 333 A N -1.220 121.579 122.820 -0.035 0.000 2.345 333 A HA 0.501 4.834 4.320 0.023 0.000 0.225 333 A C 1.325 178.887 177.584 -0.036 0.000 1.243 333 A CA 0.398 52.405 52.037 -0.050 0.000 0.875 333 A CB -0.406 18.555 19.000 -0.066 0.000 0.929 333 A HN 0.326 nan 8.150 nan 0.000 0.502 334 G N -0.825 107.967 108.800 -0.014 0.000 2.157 334 G HA2 -0.191 3.783 3.960 0.023 0.000 0.239 334 G HA3 -0.191 3.783 3.960 0.023 0.000 0.239 334 G C -0.013 174.897 174.900 0.016 0.000 0.982 334 G CA 0.187 45.290 45.100 0.004 0.000 0.650 334 G HN 0.449 nan 8.290 nan 0.000 0.527 335 I N 1.980 122.556 120.570 0.010 0.000 2.330 335 I HA 0.355 4.539 4.170 0.023 0.000 0.289 335 I C 0.101 176.228 176.117 0.017 0.000 1.001 335 I CA -0.542 60.768 61.300 0.017 0.000 1.193 335 I CB 1.818 39.828 38.000 0.016 0.000 1.345 335 I HN -0.017 nan 8.210 nan 0.000 0.461 336 T N 6.203 120.769 114.554 0.021 0.000 2.733 336 T HA 0.676 5.039 4.350 0.023 0.000 0.294 336 T C 0.155 174.866 174.700 0.018 0.000 0.956 336 T CA -0.318 61.796 62.100 0.023 0.000 0.987 336 T CB 1.219 70.104 68.868 0.029 0.000 0.920 336 T HN 0.737 nan 8.240 nan 0.000 0.470 337 A N 3.662 126.496 122.820 0.024 0.000 2.681 337 A HA 0.919 5.252 4.320 0.023 0.000 0.278 337 A C -1.017 176.586 177.584 0.033 0.000 1.272 337 A CA -0.941 51.111 52.037 0.025 0.000 0.750 337 A CB 1.273 20.289 19.000 0.027 0.000 1.351 337 A HN 0.800 nan 8.150 nan 0.000 0.514 338 N N 0.217 118.938 118.700 0.035 0.000 2.324 338 N HA 0.270 5.023 4.740 0.023 0.000 0.285 338 N C -1.177 174.362 175.510 0.047 0.000 1.076 338 N CA -0.586 52.489 53.050 0.041 0.000 0.864 338 N CB 1.736 40.243 38.487 0.033 0.000 1.632 338 N HN 0.857 nan 8.380 nan 0.000 0.478 339 K N 1.647 122.086 120.400 0.064 0.000 2.336 339 K HA 0.167 4.500 4.320 0.023 0.000 0.262 339 K C -0.661 175.957 176.600 0.030 0.000 0.992 339 K CA -0.207 56.125 56.287 0.076 0.000 0.927 339 K CB 0.583 33.139 32.500 0.093 0.000 0.956 339 K HN 0.640 nan 8.250 nan 0.000 0.495 340 N N 0.691 119.398 118.700 0.013 0.000 2.516 340 N HA 0.049 4.803 4.740 0.023 0.000 0.268 340 N C -1.490 173.994 175.510 -0.044 0.000 1.096 340 N CA -0.359 52.674 53.050 -0.029 0.000 0.954 340 N CB 2.151 40.611 38.487 -0.045 0.000 1.676 340 N HN 0.877 nan 8.380 nan 0.000 0.490 341 T N -0.842 113.677 114.554 -0.058 0.000 2.860 341 T HA 0.522 4.885 4.350 0.023 0.000 0.299 341 T C 0.726 175.384 174.700 -0.071 0.000 1.045 341 T CA -0.349 61.714 62.100 -0.061 0.000 1.071 341 T CB 0.840 69.662 68.868 -0.076 0.000 0.985 341 T HN 0.315 nan 8.240 nan 0.000 0.537 342 V N -2.300 117.573 119.914 -0.069 0.000 3.102 342 V HA 0.757 4.890 4.120 0.023 0.000 0.312 342 V C -3.119 172.942 176.094 -0.055 0.000 1.135 342 V CA -3.259 58.997 62.300 -0.074 0.000 1.022 342 V CB 1.194 32.954 31.823 -0.104 0.000 1.056 342 V HN 0.721 nan 8.190 nan 0.000 0.436 343 P HA 0.324 nan 4.420 nan 0.000 0.266 343 P C 0.910 178.190 177.300 -0.033 0.000 1.195 343 P CA 1.939 65.020 63.100 -0.033 0.000 0.768 343 P CB 0.660 32.346 31.700 -0.022 0.000 0.838 344 G N 1.075 109.859 108.800 -0.027 0.000 2.148 344 G HA2 -0.281 3.692 3.960 0.023 0.000 0.254 344 G HA3 -0.281 3.692 3.960 0.023 0.000 0.254 344 G C 0.271 175.157 174.900 -0.024 0.000 0.981 344 G CA 0.064 45.151 45.100 -0.023 0.000 0.670 344 G HN 0.640 nan 8.290 nan 0.000 0.528 345 E N 0.402 120.585 120.200 -0.029 0.000 2.653 345 E HA 0.164 4.527 4.350 0.023 0.000 0.264 345 E C 1.706 178.297 176.600 -0.016 0.000 0.949 345 E CA 0.938 57.322 56.400 -0.026 0.000 0.953 345 E CB 0.005 29.684 29.700 -0.035 0.000 0.925 345 E HN 0.942 nan 8.360 nan 0.000 0.475 346 I N 0.702 121.268 120.570 -0.007 0.000 4.240 346 I HA 0.340 4.523 4.170 0.023 0.000 0.331 346 I C 0.215 176.338 176.117 0.010 0.000 1.381 346 I CA -0.493 60.807 61.300 0.000 0.000 1.136 346 I CB 0.374 38.374 38.000 0.001 0.000 1.137 346 I HN 0.122 nan 8.210 nan 0.000 0.411 347 R N 0.953 121.462 120.500 0.014 0.000 2.873 347 R HA 0.486 4.839 4.340 0.023 0.000 0.264 347 R C 0.038 176.355 176.300 0.029 0.000 1.026 347 R CA -0.780 55.338 56.100 0.029 0.000 1.002 347 R CB 1.675 32.001 30.300 0.043 0.000 1.174 347 R HN 0.148 nan 8.270 nan 0.000 0.488 348 S N 1.085 116.819 115.700 0.056 0.000 2.558 348 S HA 0.007 4.491 4.470 0.023 0.000 0.291 348 S C -1.594 173.026 174.600 0.032 0.000 1.306 348 S CA -0.972 57.275 58.200 0.079 0.000 1.056 348 S CB 0.417 63.717 63.200 0.166 0.000 0.836 348 S HN 0.334 nan 8.310 nan 0.000 0.504 349 P HA -0.003 nan 4.420 nan 0.000 0.226 349 P C 0.342 177.473 177.300 -0.283 0.000 1.146 349 P CA 1.030 64.001 63.100 -0.215 0.000 0.773 349 P CB -0.009 31.473 31.700 -0.363 0.000 0.772 350 F N -2.028 117.927 119.950 0.008 0.000 2.754 350 F HA 0.064 4.605 4.527 0.023 0.000 0.297 350 F C 1.972 177.786 175.800 0.024 0.000 1.122 350 F CA 0.549 58.558 58.000 0.014 0.000 1.400 350 F CB -0.129 38.878 39.000 0.012 0.000 1.117 350 F HN -0.142 nan 8.300 nan 0.000 0.587 351 I N -1.132 119.538 120.570 0.166 0.000 3.443 351 I HA 0.055 4.239 4.170 0.023 0.000 0.277 351 I C 0.865 177.040 176.117 0.096 0.000 1.169 351 I CA 1.467 62.843 61.300 0.125 0.000 1.419 351 I CB -0.992 37.074 38.000 0.111 0.000 1.331 351 I HN 0.161 nan 8.210 nan 0.000 0.458 352 T N -0.536 114.056 114.554 0.064 0.000 0.541 352 T HA -0.188 4.176 4.350 0.023 0.000 0.774 352 T C 0.251 175.001 174.700 0.084 0.000 0.992 352 T CA 0.484 62.612 62.100 0.047 0.000 4.077 352 T CB -1.287 67.603 68.868 0.037 0.000 2.303 352 T HN 0.160 nan 8.240 nan 0.000 0.398 353 S N 1.400 117.136 115.700 0.060 0.000 2.741 353 S HA 0.623 5.107 4.470 0.023 0.000 0.247 353 S C 0.651 175.271 174.600 0.034 0.000 1.050 353 S CA -0.123 58.135 58.200 0.097 0.000 1.025 353 S CB 0.635 63.856 63.200 0.036 0.000 0.897 353 S HN 1.255 nan 8.310 nan 0.000 0.508 354 G N 0.786 109.589 108.800 0.007 0.000 2.708 354 G HA2 0.722 4.695 3.960 0.023 0.000 0.289 354 G HA3 0.722 4.695 3.960 0.023 0.000 0.289 354 G C -2.241 172.623 174.900 -0.060 0.000 1.416 354 G CA -0.610 44.345 45.100 -0.242 0.000 0.829 354 G HN 0.192 nan 8.290 nan 0.000 0.480 355 L N -0.073 121.053 121.223 -0.163 0.000 2.470 355 L HA 0.703 5.057 4.340 0.023 0.000 0.268 355 L C -0.237 176.600 176.870 -0.055 0.000 0.964 355 L CA -0.685 54.162 54.840 0.011 0.000 0.839 355 L CB 2.144 44.319 42.059 0.192 0.000 1.276 355 L HN 0.611 nan 8.230 nan 0.000 0.403 356 R N 4.735 125.218 120.500 -0.030 0.000 2.346 356 R HA 0.804 5.157 4.340 0.023 0.000 0.311 356 R C -1.730 174.551 176.300 -0.032 0.000 0.983 356 R CA -0.517 55.553 56.100 -0.050 0.000 0.880 356 R CB 0.876 31.146 30.300 -0.049 0.000 1.100 356 R HN 0.749 nan 8.270 nan 0.000 0.453 357 L N 2.590 123.782 121.223 -0.051 0.000 2.401 357 L HA 0.684 5.037 4.340 0.023 0.000 0.266 357 L C 0.022 176.858 176.870 -0.057 0.000 0.991 357 L CA -0.858 53.960 54.840 -0.037 0.000 0.818 357 L CB 2.525 44.565 42.059 -0.032 0.000 1.321 357 L HN 0.828 nan 8.230 nan 0.000 0.413 358 G N -0.985 107.797 108.800 -0.030 0.000 2.642 358 G HA2 0.513 4.486 3.960 0.023 0.000 0.293 358 G HA3 0.513 4.486 3.960 0.023 0.000 0.293 358 G C 0.075 174.976 174.900 0.002 0.000 1.341 358 G CA 0.134 45.225 45.100 -0.016 0.000 0.916 358 G HN 0.574 nan 8.290 nan 0.000 0.474 359 T N -2.508 112.060 114.554 0.023 0.000 3.010 359 T HA 0.272 4.636 4.350 0.023 0.000 0.257 359 T C -0.972 173.729 174.700 0.001 0.000 1.020 359 T CA -0.017 62.082 62.100 -0.002 0.000 0.938 359 T CB 0.479 69.339 68.868 -0.013 0.000 1.049 359 T HN 0.208 nan 8.240 nan 0.000 0.522 360 P HA -0.003 nan 4.420 nan 0.000 0.215 360 P C 1.839 179.192 177.300 0.089 0.000 1.157 360 P CA 1.715 64.851 63.100 0.061 0.000 0.874 360 P CB -0.268 31.477 31.700 0.074 0.000 0.790 361 A N -0.781 122.018 122.820 -0.035 0.000 1.898 361 A HA -0.125 4.208 4.320 0.023 0.000 0.216 361 A C 2.241 179.858 177.584 0.054 0.000 1.181 361 A CA 1.265 53.228 52.037 -0.125 0.000 0.620 361 A CB -1.587 17.132 19.000 -0.468 0.000 0.819 361 A HN 0.084 nan 8.150 nan 0.000 0.442 362 L N -0.472 120.699 121.223 -0.086 0.000 2.083 362 L HA -0.164 4.189 4.340 0.023 0.000 0.209 362 L C 2.727 179.527 176.870 -0.116 0.000 1.083 362 L CA 1.776 56.429 54.840 -0.312 0.000 0.752 362 L CB -0.977 40.788 42.059 -0.490 0.000 0.899 362 L HN 0.367 nan 8.230 nan 0.000 0.433 363 T N -0.036 114.540 114.554 0.036 0.000 2.746 363 T HA -0.146 4.217 4.350 0.023 0.000 0.267 363 T C 2.026 176.904 174.700 0.298 0.000 1.039 363 T CA 1.237 63.420 62.100 0.138 0.000 1.142 363 T CB -0.210 68.669 68.868 0.019 0.000 0.866 363 T HN 0.448 nan 8.240 nan 0.000 0.444 364 A N 2.478 125.518 122.820 0.367 0.000 1.972 364 A HA -0.146 4.188 4.320 0.023 0.000 0.219 364 A C 2.245 179.934 177.584 0.175 0.000 1.169 364 A CA 1.495 53.697 52.037 0.274 0.000 0.635 364 A CB -0.499 18.650 19.000 0.248 0.000 0.810 364 A HN 0.669 nan 8.150 nan 0.000 0.446 365 R N -1.496 119.105 120.500 0.167 0.000 2.310 365 R HA 0.313 4.666 4.340 0.023 0.000 0.202 365 R C 1.038 177.517 176.300 0.298 0.000 0.933 365 R CA 0.833 56.995 56.100 0.103 0.000 1.054 365 R CB -0.361 29.930 30.300 -0.015 0.000 0.985 365 R HN 0.785 nan 8.270 nan 0.000 0.489 366 G N 0.381 109.363 108.800 0.303 0.000 2.168 366 G HA2 -0.211 3.763 3.960 0.023 0.000 0.197 366 G HA3 -0.211 3.763 3.960 0.023 0.000 0.197 366 G C -0.308 174.811 174.900 0.365 0.000 0.997 366 G CA -0.579 44.764 45.100 0.406 0.000 0.658 366 G HN 0.172 nan 8.290 nan 0.000 0.513 367 F N 1.739 121.579 119.950 -0.183 0.000 2.529 367 F HA 0.555 5.095 4.527 0.023 0.000 0.365 367 F C 1.166 176.906 175.800 -0.100 0.000 1.102 367 F CA 0.126 57.925 58.000 -0.335 0.000 1.271 367 F CB 0.785 39.595 39.000 -0.317 0.000 1.120 367 F HN 0.101 nan 8.300 nan 0.000 0.579 368 K N 1.682 122.095 120.400 0.022 0.000 2.158 368 K HA 0.302 4.635 4.320 0.023 0.000 0.243 368 K C 1.027 177.626 176.600 -0.001 0.000 1.079 368 K CA -0.757 55.550 56.287 0.034 0.000 0.920 368 K CB 0.790 33.319 32.500 0.047 0.000 1.400 368 K HN 0.301 nan 8.250 nan 0.000 0.561 369 E N 1.287 121.486 120.200 -0.002 0.000 2.097 369 E HA -0.226 4.138 4.350 0.023 0.000 0.196 369 E C 1.652 178.235 176.600 -0.029 0.000 1.000 369 E CA 1.615 58.009 56.400 -0.011 0.000 0.804 369 E CB 0.057 29.752 29.700 -0.009 0.000 0.740 369 E HN 0.309 nan 8.360 nan 0.000 0.454 370 K N 0.716 121.092 120.400 -0.040 0.000 2.057 370 K HA -0.118 4.216 4.320 0.023 0.000 0.207 370 K C 0.410 176.949 176.600 -0.103 0.000 1.049 370 K CA 0.883 57.137 56.287 -0.056 0.000 0.931 370 K CB 0.134 32.609 32.500 -0.041 0.000 0.714 370 K HN 0.001 nan 8.250 nan 0.000 0.440 374 I N 1.607 122.123 120.570 -0.091 0.000 2.179 374 I HA -0.214 3.970 4.170 0.023 0.000 0.242 374 I C 2.271 178.321 176.117 -0.111 0.000 1.088 374 I CA 1.394 62.599 61.300 -0.159 0.000 1.357 374 I CB -0.120 37.813 38.000 -0.111 0.000 1.051 374 I HN 0.070 nan 8.210 nan 0.000 0.409 375 V N -0.061 119.886 119.914 0.054 0.000 2.358 375 V HA -0.246 3.888 4.120 0.023 0.000 0.246 375 V C 2.503 178.660 176.094 0.106 0.000 1.047 375 V CA 2.057 64.460 62.300 0.172 0.000 1.035 375 V CB -0.554 31.394 31.823 0.208 0.000 0.658 375 V HN 0.365 nan 8.190 nan 0.000 0.452 376 S N 0.440 116.165 115.700 0.043 0.000 2.368 376 S HA -0.188 4.296 4.470 0.023 0.000 0.225 376 S C 1.917 176.525 174.600 0.013 0.000 1.030 376 S CA 1.420 59.633 58.200 0.022 0.000 0.999 376 S CB -0.447 62.760 63.200 0.010 0.000 0.844 376 S HN 0.598 nan 8.310 nan 0.000 0.459 377 N N 0.284 118.965 118.700 -0.033 0.000 2.188 377 N HA -0.050 4.703 4.740 0.023 0.000 0.184 377 N C 1.418 176.929 175.510 0.001 0.000 1.018 377 N CA 1.045 54.065 53.050 -0.050 0.000 0.858 377 N CB -0.344 38.056 38.487 -0.144 0.000 0.989 377 N HN 0.386 nan 8.380 nan 0.000 0.426 378 Y N 1.653 121.965 120.300 0.020 0.000 2.200 378 Y HA 0.022 4.586 4.550 0.022 0.000 0.290 378 Y C 2.381 178.277 175.900 -0.007 0.000 1.137 378 Y CA 0.241 58.349 58.100 0.013 0.000 1.163 378 Y CB -0.688 37.782 38.460 0.017 0.000 0.988 378 Y HN -0.002 nan 8.280 nan 0.000 0.518 379 I N -0.549 120.107 120.570 0.143 0.000 2.151 379 I HA -0.391 3.792 4.170 0.023 0.000 0.243 379 I C 2.557 178.648 176.117 -0.042 0.000 1.080 379 I CA 1.404 62.716 61.300 0.020 0.000 1.339 379 I CB -0.669 37.317 38.000 -0.023 0.000 1.039 379 I HN 0.167 nan 8.210 nan 0.000 0.409 380 A N 0.454 123.270 122.820 -0.006 0.000 1.902 380 A HA -0.246 4.088 4.320 0.023 0.000 0.217 380 A C 1.954 179.646 177.584 0.180 0.000 1.181 380 A CA 2.095 54.184 52.037 0.087 0.000 0.623 380 A CB -0.605 18.527 19.000 0.220 0.000 0.818 380 A HN 0.363 nan 8.150 nan 0.000 0.443 381 D N 0.101 120.586 120.400 0.141 0.000 2.104 381 D HA -0.143 4.511 4.640 0.023 0.000 0.194 381 D C 1.867 178.216 176.300 0.082 0.000 0.994 381 D CA 1.353 55.432 54.000 0.132 0.000 0.830 381 D CB -0.387 40.515 40.800 0.170 0.000 0.959 381 D HN 0.537 nan 8.370 nan 0.000 0.452 382 I N 0.587 121.182 120.570 0.041 0.000 2.142 382 I HA -0.233 3.950 4.170 0.023 0.000 0.240 382 I C 2.314 178.366 176.117 -0.108 0.000 1.078 382 I CA 0.834 62.111 61.300 -0.039 0.000 1.343 382 I CB -0.170 37.792 38.000 -0.063 0.000 1.046 382 I HN -0.036 nan 8.210 nan 0.000 0.405 383 L N 0.006 121.165 121.223 -0.108 0.000 2.376 383 L HA -0.137 4.217 4.340 0.023 0.000 0.219 383 L C 1.569 178.482 176.870 0.072 0.000 1.133 383 L CA 0.626 55.344 54.840 -0.204 0.000 0.816 383 L CB -0.602 41.341 42.059 -0.193 0.000 0.933 383 L HN 0.242 nan 8.230 nan 0.000 0.449 384 D N -0.308 120.211 120.400 0.198 0.000 2.317 384 D HA -0.091 4.562 4.640 0.023 0.000 0.211 384 D C 0.496 176.826 176.300 0.050 0.000 0.966 384 D CA 1.089 55.189 54.000 0.167 0.000 0.876 384 D CB 0.188 41.081 40.800 0.155 0.000 0.927 384 D HN 0.148 nan 8.370 nan 0.000 0.519 385 D N -0.248 120.141 120.400 -0.018 0.000 2.968 385 D HA -0.002 4.652 4.640 0.023 0.000 0.301 385 D C 0.821 177.058 176.300 -0.105 0.000 1.226 385 D CA -0.225 53.750 54.000 -0.040 0.000 0.746 385 D CB 0.203 40.997 40.800 -0.011 0.000 1.278 385 D HN -0.235 nan 8.370 nan 0.000 0.544 386 V N 1.419 121.209 119.914 -0.206 0.000 2.913 386 V HA -0.093 4.041 4.120 0.023 0.000 0.260 386 V C 1.160 177.144 176.094 -0.183 0.000 1.098 386 V CA 1.501 63.614 62.300 -0.311 0.000 1.121 386 V CB -0.189 31.241 31.823 -0.656 0.000 0.714 386 V HN 0.349 nan 8.190 nan 0.000 0.487 387 N N 0.590 119.223 118.700 -0.112 0.000 2.353 387 N HA 0.020 4.774 4.740 0.023 0.000 0.185 387 N C 0.711 176.191 175.510 -0.050 0.000 1.098 387 N CA 0.123 53.133 53.050 -0.067 0.000 0.872 387 N CB -0.357 38.107 38.487 -0.038 0.000 0.970 387 N HN 0.408 nan 8.380 nan 0.000 0.467 388 N N 2.350 121.019 118.700 -0.052 0.000 2.421 388 N HA -0.063 4.690 4.740 0.023 0.000 0.260 388 N C 0.889 176.375 175.510 -0.039 0.000 1.173 388 N CA 0.223 53.251 53.050 -0.036 0.000 0.960 388 N CB 0.521 38.992 38.487 -0.027 0.000 1.273 388 N HN 0.086 nan 8.380 nan 0.000 0.497 389 E N 2.645 122.825 120.200 -0.033 0.000 2.274 389 E HA -0.148 4.215 4.350 0.023 0.000 0.194 389 E C 0.917 177.499 176.600 -0.030 0.000 0.996 389 E CA 0.699 57.079 56.400 -0.033 0.000 0.840 389 E CB 0.410 30.095 29.700 -0.026 0.000 0.772 389 E HN 0.397 nan 8.360 nan 0.000 0.491 390 K N 0.793 121.178 120.400 -0.024 0.000 2.062 390 K HA -0.100 4.234 4.320 0.023 0.000 0.205 390 K C 2.156 178.739 176.600 -0.027 0.000 1.051 390 K CA 0.601 56.875 56.287 -0.022 0.000 0.941 390 K CB -0.656 31.835 32.500 -0.014 0.000 0.719 390 K HN 0.121 nan 8.250 nan 0.000 0.440 391 L N 1.400 122.607 121.223 -0.026 0.000 2.042 391 L HA -0.218 4.135 4.340 0.023 0.000 0.210 391 L C 1.926 178.764 176.870 -0.053 0.000 1.076 391 L CA 1.862 56.684 54.840 -0.030 0.000 0.749 391 L CB -0.641 41.407 42.059 -0.018 0.000 0.893 391 L HN 0.321 nan 8.230 nan 0.000 0.432 392 Q N -0.654 119.113 119.800 -0.054 0.000 2.084 392 Q HA -0.218 4.136 4.340 0.023 0.000 0.202 392 Q C 2.115 178.075 176.000 -0.068 0.000 0.978 392 Q CA 1.981 57.744 55.803 -0.066 0.000 0.844 392 Q CB -0.242 28.462 28.738 -0.057 0.000 0.898 392 Q HN 0.628 nan 8.270 nan 0.000 0.426 393 E N 0.471 120.640 120.200 -0.051 0.000 2.085 393 E HA -0.182 4.182 4.350 0.023 0.000 0.194 393 E C 1.812 178.377 176.600 -0.057 0.000 0.994 393 E CA 0.960 57.333 56.400 -0.045 0.000 0.801 393 E CB -0.049 29.632 29.700 -0.030 0.000 0.743 393 E HN 0.328 nan 8.360 nan 0.000 0.453 394 N N 0.901 119.564 118.700 -0.062 0.000 2.084 394 N HA -0.120 4.634 4.740 0.023 0.000 0.190 394 N C 1.929 177.360 175.510 -0.131 0.000 1.030 394 N CA 0.933 53.941 53.050 -0.071 0.000 0.849 394 N CB -0.261 38.195 38.487 -0.051 0.000 1.012 394 N HN 0.155 nan 8.380 nan 0.000 0.423 395 I N 1.221 121.672 120.570 -0.198 0.000 2.286 395 I HA -0.252 3.931 4.170 0.023 0.000 0.248 395 I C 2.401 178.361 176.117 -0.262 0.000 1.115 395 I CA 0.985 62.055 61.300 -0.383 0.000 1.392 395 I CB -0.137 37.610 38.000 -0.422 0.000 1.065 395 I HN 0.164 nan 8.210 nan 0.000 0.418 396 K N 0.475 120.788 120.400 -0.145 0.000 2.063 396 K HA -0.242 4.092 4.320 0.023 0.000 0.208 396 K C 2.227 178.791 176.600 -0.060 0.000 1.048 396 K CA 1.394 57.632 56.287 -0.083 0.000 0.928 396 K CB 0.073 32.543 32.500 -0.050 0.000 0.713 396 K HN 0.222 nan 8.250 nan 0.000 0.442 397 Q N 0.555 120.319 119.800 -0.060 0.000 2.079 397 Q HA -0.136 4.217 4.340 0.023 0.000 0.200 397 Q C 1.944 177.929 176.000 -0.027 0.000 0.974 397 Q CA 1.202 56.986 55.803 -0.031 0.000 0.840 397 Q CB -0.116 28.608 28.738 -0.024 0.000 0.898 397 Q HN 0.387 nan 8.270 nan 0.000 0.430 398 E N 0.672 120.832 120.200 -0.067 0.000 2.077 398 E HA -0.094 4.269 4.350 0.023 0.000 0.193 398 E C 2.256 178.861 176.600 0.009 0.000 0.989 398 E CA 0.613 56.991 56.400 -0.036 0.000 0.800 398 E CB -0.194 29.447 29.700 -0.097 0.000 0.746 398 E HN 0.349 nan 8.360 nan 0.000 0.452 399 L N 0.685 121.887 121.223 -0.034 0.000 2.093 399 L HA -0.121 4.232 4.340 0.023 0.000 0.208 399 L C 2.681 179.609 176.870 0.096 0.000 1.085 399 L CA 1.030 55.903 54.840 0.056 0.000 0.755 399 L CB -0.356 41.718 42.059 0.026 0.000 0.904 399 L HN 0.089 nan 8.230 nan 0.000 0.435 400 K N 0.814 121.249 120.400 0.057 0.000 2.057 400 K HA -0.210 4.124 4.320 0.023 0.000 0.207 400 K C 2.103 178.755 176.600 0.087 0.000 1.049 400 K CA 1.435 57.764 56.287 0.070 0.000 0.931 400 K CB 0.094 32.618 32.500 0.041 0.000 0.714 400 K HN 0.181 nan 8.250 nan 0.000 0.440 401 K N 0.480 120.924 120.400 0.073 0.000 2.032 401 K HA -0.178 4.156 4.320 0.023 0.000 0.209 401 K C 2.161 178.832 176.600 0.118 0.000 1.048 401 K CA 1.456 57.789 56.287 0.077 0.000 0.927 401 K CB -0.278 32.258 32.500 0.060 0.000 0.712 401 K HN 0.109 nan 8.250 nan 0.000 0.441 402 L N 1.158 122.470 121.223 0.149 0.000 2.012 402 L HA -0.147 4.206 4.340 0.023 0.000 0.210 402 L C 2.202 179.274 176.870 0.338 0.000 1.073 402 L CA 1.902 56.864 54.840 0.204 0.000 0.748 402 L CB -0.631 41.538 42.059 0.185 0.000 0.891 402 L HN 0.144 nan 8.230 nan 0.000 0.431 403 A N -0.965 122.053 122.820 0.330 0.000 2.019 403 A HA -0.186 4.148 4.320 0.023 0.000 0.219 403 A C 2.418 180.196 177.584 0.322 0.000 1.164 403 A CA 1.620 53.897 52.037 0.401 0.000 0.644 403 A CB -1.069 18.083 19.000 0.254 0.000 0.805 403 A HN 0.689 nan 8.150 nan 0.000 0.449 404 S N 0.041 115.860 115.700 0.198 0.000 2.507 404 S HA -0.095 4.388 4.470 0.023 0.000 0.235 404 S C 1.241 175.876 174.600 0.058 0.000 0.988 404 S CA 1.161 59.426 58.200 0.109 0.000 0.944 404 S CB -0.468 62.772 63.200 0.066 0.000 0.762 404 S HN 0.533 nan 8.310 nan 0.000 0.526 405 N N 0.491 119.228 118.700 0.060 0.000 2.398 405 N HA 0.232 4.986 4.740 0.023 0.000 0.188 405 N C -0.869 174.321 175.510 -0.534 0.000 1.122 405 N CA 0.312 53.211 53.050 -0.251 0.000 0.866 405 N CB -0.014 38.240 38.487 -0.389 0.000 0.970 405 N HN 0.512 nan 8.380 nan 0.000 0.462 406 F N 0.825 120.827 119.950 0.086 0.000 2.564 406 F HA 0.389 4.930 4.527 0.023 0.000 0.329 406 F C -0.321 175.486 175.800 0.011 0.000 1.458 406 F CA -0.638 57.422 58.000 0.101 0.000 1.117 406 F CB 0.737 39.911 39.000 0.291 0.000 1.383 406 F HN -0.245 nan 8.300 nan 0.000 0.571 407 I N 3.656 124.261 120.570 0.057 0.000 2.315 407 I HA 0.260 4.443 4.170 0.023 0.000 0.291 407 I C 1.248 177.310 176.117 -0.092 0.000 1.006 407 I CA -0.159 61.129 61.300 -0.021 0.000 1.265 407 I CB 1.239 39.238 38.000 -0.002 0.000 1.387 407 I HN 0.489 nan 8.210 nan 0.000 0.475 408 I N 3.047 123.463 120.570 -0.258 0.000 3.941 408 I HA 0.168 4.352 4.170 0.023 0.000 0.321 408 I C -0.427 175.510 176.117 -0.299 0.000 1.284 408 I CA 0.296 61.384 61.300 -0.353 0.000 1.226 408 I CB 0.223 37.893 38.000 -0.550 0.000 1.045 408 I HN 0.190 nan 8.210 nan 0.000 0.420 409 Y N 2.689 122.981 120.300 -0.012 0.000 2.328 409 Y HA 0.324 4.887 4.550 0.022 0.000 0.336 409 Y C 1.018 176.961 175.900 0.072 0.000 0.960 409 Y CA -1.797 56.372 58.100 0.114 0.000 1.134 409 Y CB 1.469 40.006 38.460 0.129 0.000 1.166 409 Y HN 0.132 nan 8.280 nan 0.000 0.464 410 E N 2.162 122.510 120.200 0.248 0.000 2.442 410 E HA 0.116 4.480 4.350 0.023 0.000 0.195 410 E C 0.056 176.659 176.600 0.006 0.000 1.030 410 E CA 0.119 56.577 56.400 0.097 0.000 0.869 410 E CB 0.537 30.280 29.700 0.072 0.000 0.857 410 E HN 0.617 nan 8.360 nan 0.000 0.505 411 R N -0.505 119.955 120.500 -0.065 0.000 2.752 411 R HA 0.746 5.100 4.340 0.023 0.000 0.271 411 R C -1.160 174.922 176.300 -0.364 0.000 1.026 411 R CA -0.756 55.188 56.100 -0.260 0.000 0.901 411 R CB 0.897 30.964 30.300 -0.389 0.000 1.243 411 R HN -0.016 nan 8.270 nan 0.000 0.463 414 F N 0.000 119.922 119.950 -0.046 0.000 2.286 414 F HA 0.000 4.540 4.527 0.023 0.000 0.279 414 F CA 0.000 57.983 58.000 -0.028 0.000 1.383 414 F CB 0.000 38.979 39.000 -0.035 0.000 1.145 414 F HN 0.000 nan 8.300 nan 0.000 0.574