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 1zmc_1_H DATA FIRST_RESID 4 DATA SEQUENCE PIDADVTVIG SGPGGYVAAI KAAQLGFKTV CIEKNETLGG TcLNVGcIPS DATA SEQUENCE KALLNNSHYY HMAHGTDFAS RGIEMSEVRL NLDKMMEQKS TAVKALTGGI DATA SEQUENCE AHLFKQNKVV HVNGYGKITG KNQVTATKAD GGTQVIDTKN ILIATGSEVT DATA SEQUENCE PFPGITIDED TIVSSTGALS LKKVPEKMVV IGAGVIGVEL GSVWQRLGAD DATA SEQUENCE VTAVEFLGHV GGVGIDMEIS KNFQRILQKQ GFKFKLNTKV TGATKKSDGK DATA SEQUENCE IDVSIEAASG GKAEVITCDV LLVCIGRRPF TKNLGLEELG IELDPRGRIP DATA SEQUENCE VNTRFQTKIP NIYAIGDVVA GPMLAHKAED EGIICVEGMA GGAVHIDYNC DATA SEQUENCE VPSVIYTHPE VAWVGKSEEQ LKEEGIEYKV GKFPFAANSR AKTNADTDGM DATA SEQUENCE VKILGQKSTD RVLGAHILGP GAGEMVNEAA LALEYGASCE DIARVCHAHP DATA SEQUENCE TLSEAFREAN LAASFGKSIN F 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.301 177.300 0.002 0.000 1.155 4 P CA 0.000 63.102 63.100 0.003 0.000 0.800 4 P CB 0.000 31.702 31.700 0.003 0.000 0.726 5 I N -0.609 119.962 120.570 0.002 0.000 3.170 5 I HA 0.942 5.112 4.170 0.000 0.000 0.312 5 I C -1.438 174.680 176.117 0.002 0.000 1.085 5 I CA -0.653 60.648 61.300 0.001 0.000 0.999 5 I CB 2.722 40.721 38.000 -0.001 0.000 1.233 5 I HN 0.022 nan 8.210 nan 0.000 0.467 6 D N 2.273 122.674 120.400 0.001 0.000 2.753 6 D HA 0.791 5.431 4.640 0.000 0.000 0.224 6 D C -1.277 175.023 176.300 0.000 0.000 1.213 6 D CA -0.517 53.483 54.000 0.001 0.000 0.833 6 D CB 1.779 42.581 40.800 0.004 0.000 1.607 6 D HN 1.030 nan 8.370 nan 0.000 0.463 7 A N 0.906 123.723 122.820 -0.004 0.000 2.524 7 A HA 0.601 4.921 4.320 0.000 0.000 0.286 7 A C -0.212 177.364 177.584 -0.013 0.000 1.203 7 A CA -0.583 51.450 52.037 -0.006 0.000 0.736 7 A CB 1.419 20.408 19.000 -0.019 0.000 1.322 7 A HN 0.430 nan 8.150 nan 0.000 0.424 8 D N -0.869 119.524 120.400 -0.012 0.000 2.197 8 D HA 0.185 4.825 4.640 0.000 0.000 0.212 8 D C 0.113 176.304 176.300 -0.182 0.000 0.963 8 D CA 1.578 55.549 54.000 -0.048 0.000 0.864 8 D CB 0.347 41.190 40.800 0.072 0.000 1.009 8 D HN 0.193 nan 8.370 nan 0.000 0.479 9 V N 0.459 120.265 119.914 -0.180 0.000 2.638 9 V HA 0.363 4.483 4.120 0.000 0.000 0.306 9 V C -0.326 175.698 176.094 -0.116 0.000 1.052 9 V CA -0.562 61.605 62.300 -0.222 0.000 0.885 9 V CB 2.245 33.861 31.823 -0.344 0.000 0.999 9 V HN -0.142 nan 8.190 nan 0.000 0.424 10 T N 4.251 118.753 114.554 -0.086 0.000 2.791 10 T HA 0.530 4.880 4.350 0.000 0.000 0.288 10 T C -0.482 174.195 174.700 -0.039 0.000 0.999 10 T CA -0.267 61.803 62.100 -0.050 0.000 0.952 10 T CB 1.381 70.234 68.868 -0.025 0.000 0.938 10 T HN 0.346 nan 8.240 nan 0.000 0.444 11 V N 5.683 125.573 119.914 -0.040 0.000 2.394 11 V HA 0.477 4.597 4.120 0.000 0.000 0.282 11 V C 0.003 176.102 176.094 0.008 0.000 1.031 11 V CA -0.763 61.524 62.300 -0.021 0.000 0.881 11 V CB 1.348 33.154 31.823 -0.030 0.000 0.982 11 V HN 0.794 nan 8.190 nan 0.000 0.451 12 I N 4.835 125.415 120.570 0.017 0.000 2.307 12 I HA 0.723 4.893 4.170 0.000 0.000 0.287 12 I C 0.636 176.768 176.117 0.025 0.000 1.054 12 I CA 0.086 61.400 61.300 0.023 0.000 1.218 12 I CB 1.006 39.017 38.000 0.019 0.000 1.398 12 I HN 0.856 nan 8.210 nan 0.000 0.475 13 G N 3.357 112.180 108.800 0.038 0.000 2.801 13 G HA2 -0.015 3.945 3.960 0.000 0.000 0.648 13 G HA3 -0.015 3.945 3.960 0.000 0.000 0.648 13 G C -0.179 174.772 174.900 0.085 0.000 1.415 13 G CA -0.335 44.789 45.100 0.040 0.000 0.887 13 G HN 0.588 nan 8.290 nan 0.000 0.627 14 S N 0.829 116.582 115.700 0.087 0.000 2.588 14 S HA 0.608 5.078 4.470 0.000 0.000 0.245 14 S C 1.166 175.848 174.600 0.137 0.000 1.021 14 S CA 0.617 58.904 58.200 0.144 0.000 1.006 14 S CB 0.599 63.828 63.200 0.049 0.000 0.830 14 S HN 1.774 nan 8.310 nan 0.000 0.468 15 G N 2.108 110.972 108.800 0.106 0.000 2.588 15 G HA2 0.475 4.435 3.960 0.000 0.000 0.281 15 G HA3 0.475 4.435 3.960 0.000 0.000 0.281 15 G C -1.710 173.284 174.900 0.157 0.000 1.236 15 G CA -1.810 43.350 45.100 0.099 0.000 0.969 15 G HN 0.148 nan 8.290 nan 0.000 0.504 16 P HA -0.171 nan 4.420 nan 0.000 0.217 16 P C 2.030 179.234 177.300 -0.161 0.000 1.158 16 P CA 2.173 65.280 63.100 0.012 0.000 0.887 16 P CB 0.019 31.727 31.700 0.014 0.000 0.792 17 G N -1.094 107.647 108.800 -0.097 0.000 2.408 17 G HA2 -0.165 3.795 3.960 0.000 0.000 0.217 17 G HA3 -0.165 3.795 3.960 0.000 0.000 0.217 17 G C 1.715 176.544 174.900 -0.120 0.000 1.150 17 G CA 0.948 45.971 45.100 -0.129 0.000 0.776 17 G HN 0.384 nan 8.290 nan 0.000 0.542 18 G N 0.573 109.347 108.800 -0.042 0.000 2.464 18 G HA2 -0.176 3.784 3.960 0.000 0.000 0.214 18 G HA3 -0.176 3.784 3.960 0.000 0.000 0.214 18 G C 1.703 176.654 174.900 0.086 0.000 1.218 18 G CA 1.235 46.348 45.100 0.021 0.000 0.794 18 G HN 0.576 nan 8.290 nan 0.000 0.542 19 Y N 0.973 121.348 120.300 0.125 0.000 2.256 19 Y HA -0.017 4.533 4.550 0.000 0.000 0.288 19 Y C 2.328 178.364 175.900 0.226 0.000 1.155 19 Y CA 1.300 59.566 58.100 0.277 0.000 1.203 19 Y CB -0.689 37.772 38.460 0.002 0.000 0.980 19 Y HN 0.029 nan 8.280 nan 0.000 0.530 20 V N 1.045 120.584 119.914 -0.625 0.000 2.488 20 V HA -0.151 3.969 4.120 0.000 0.000 0.246 20 V C 2.853 178.841 176.094 -0.176 0.000 1.046 20 V CA 1.433 63.432 62.300 -0.501 0.000 1.053 20 V CB -1.281 30.194 31.823 -0.580 0.000 0.679 20 V HN 0.619 nan 8.190 nan 0.000 0.458 21 A N 0.319 123.051 122.820 -0.147 0.000 1.883 21 A HA -0.157 4.164 4.320 0.000 0.000 0.217 21 A C 2.440 179.995 177.584 -0.048 0.000 1.186 21 A CA 2.233 54.209 52.037 -0.101 0.000 0.624 21 A CB -0.853 18.081 19.000 -0.110 0.000 0.822 21 A HN 0.548 nan 8.150 nan 0.000 0.444 22 A N -0.013 122.797 122.820 -0.016 0.000 1.851 22 A HA -0.138 4.182 4.320 0.000 0.000 0.216 22 A C 2.135 179.714 177.584 -0.009 0.000 1.195 22 A CA 1.696 53.706 52.037 -0.044 0.000 0.622 22 A CB -0.753 18.166 19.000 -0.135 0.000 0.831 22 A HN 0.489 nan 8.150 nan 0.000 0.444 23 I N -0.670 119.956 120.570 0.094 0.000 2.163 23 I HA -0.292 3.878 4.170 0.000 0.000 0.243 23 I C 2.546 178.694 176.117 0.051 0.000 1.085 23 I CA 1.999 63.367 61.300 0.114 0.000 1.347 23 I CB -0.185 37.933 38.000 0.197 0.000 1.044 23 I HN 0.272 nan 8.210 nan 0.000 0.408 24 K N 1.267 121.681 120.400 0.023 0.000 2.026 24 K HA -0.125 4.195 4.320 0.000 0.000 0.208 24 K C 2.079 178.699 176.600 0.033 0.000 1.048 24 K CA 1.686 57.979 56.287 0.010 0.000 0.929 24 K CB -0.503 31.989 32.500 -0.013 0.000 0.713 24 K HN 0.284 nan 8.250 nan 0.000 0.439 25 A N 0.695 123.555 122.820 0.066 0.000 1.873 25 A HA -0.180 4.140 4.320 0.000 0.000 0.218 25 A C 2.409 180.085 177.584 0.152 0.000 1.193 25 A CA 2.546 54.700 52.037 0.197 0.000 0.629 25 A CB -1.370 17.721 19.000 0.151 0.000 0.826 25 A HN 0.446 nan 8.150 nan 0.000 0.447 26 A N -0.749 122.111 122.820 0.067 0.000 1.865 26 A HA -0.268 4.052 4.320 0.000 0.000 0.217 26 A C 2.079 179.658 177.584 -0.008 0.000 1.191 26 A CA 1.824 53.878 52.037 0.028 0.000 0.623 26 A CB -0.775 18.224 19.000 -0.001 0.000 0.826 26 A HN 0.678 nan 8.150 nan 0.000 0.444 27 Q N -0.678 119.117 119.800 -0.008 0.000 2.368 27 Q HA -0.018 4.322 4.340 0.000 0.000 0.210 27 Q C 1.592 177.548 176.000 -0.074 0.000 0.982 27 Q CA 0.886 56.672 55.803 -0.028 0.000 0.884 27 Q CB -0.274 28.457 28.738 -0.011 0.000 0.933 27 Q HN 0.673 nan 8.270 nan 0.000 0.460 28 L N -1.487 119.666 121.223 -0.116 0.000 2.558 28 L HA 0.127 4.467 4.340 0.000 0.000 0.225 28 L C 1.266 177.906 176.870 -0.382 0.000 1.128 28 L CA 0.549 55.245 54.840 -0.239 0.000 0.868 28 L CB 0.297 42.191 42.059 -0.276 0.000 1.006 28 L HN 0.443 nan 8.230 nan 0.000 0.454 29 G N -0.881 107.748 108.800 -0.284 0.000 2.316 29 G HA2 -0.231 3.729 3.960 0.000 0.000 0.203 29 G HA3 -0.231 3.729 3.960 0.000 0.000 0.203 29 G C 0.119 174.910 174.900 -0.182 0.000 0.999 29 G CA -0.664 44.282 45.100 -0.257 0.000 0.649 29 G HN 0.051 nan 8.290 nan 0.000 0.489 30 F N 3.015 122.946 119.950 -0.031 0.000 2.471 30 F HA 0.428 4.955 4.527 0.000 0.000 0.353 30 F C 1.349 177.125 175.800 -0.039 0.000 1.113 30 F CA -0.359 57.620 58.000 -0.034 0.000 1.262 30 F CB 0.708 39.681 39.000 -0.044 0.000 1.146 30 F HN 0.167 nan 8.300 nan 0.000 0.578 31 K N 1.423 121.925 120.400 0.169 0.000 2.310 31 K HA 0.375 4.695 4.320 0.000 0.000 0.290 31 K C -0.746 175.882 176.600 0.046 0.000 1.077 31 K CA -0.375 55.954 56.287 0.070 0.000 0.922 31 K CB 0.089 32.614 32.500 0.042 0.000 1.057 31 K HN 0.537 nan 8.250 nan 0.000 0.479 32 T N 2.101 116.662 114.554 0.011 0.000 2.867 32 T HA 0.356 4.706 4.350 0.000 0.000 0.282 32 T C -0.368 174.280 174.700 -0.087 0.000 1.000 32 T CA -0.744 61.332 62.100 -0.041 0.000 1.042 32 T CB 1.685 70.522 68.868 -0.053 0.000 0.973 32 T HN 0.399 nan 8.240 nan 0.000 0.465 33 V N 1.683 121.543 119.914 -0.090 0.000 2.588 33 V HA 0.531 4.651 4.120 0.000 0.000 0.304 33 V C -0.517 175.521 176.094 -0.093 0.000 1.042 33 V CA -0.857 61.394 62.300 -0.083 0.000 0.877 33 V CB 1.792 33.593 31.823 -0.037 0.000 0.996 33 V HN 1.119 nan 8.190 nan 0.000 0.425 34 C N 7.143 126.383 119.300 -0.099 0.000 2.346 34 C HA 0.703 5.163 4.460 0.000 0.000 0.326 34 C C -0.334 174.722 174.990 0.109 0.000 1.224 34 C CA -0.501 58.492 59.018 -0.041 0.000 1.408 34 C CB -0.469 27.175 27.740 -0.160 0.000 2.089 34 C HN 0.810 nan 8.230 nan 0.000 0.456 35 I N 4.861 125.490 120.570 0.099 0.000 2.353 35 I HA 0.501 4.671 4.170 0.000 0.000 0.293 35 I C -0.221 175.972 176.117 0.126 0.000 0.992 35 I CA 0.334 61.710 61.300 0.127 0.000 1.268 35 I CB 1.361 39.403 38.000 0.070 0.000 1.387 35 I HN 0.609 nan 8.210 nan 0.000 0.478 36 E N 5.660 125.963 120.200 0.172 0.000 2.263 36 E HA 0.242 4.592 4.350 0.000 0.000 0.268 36 E C 0.053 176.713 176.600 0.100 0.000 0.884 36 E CA -0.825 55.647 56.400 0.119 0.000 0.766 36 E CB 1.444 31.225 29.700 0.135 0.000 1.196 36 E HN 0.557 nan 8.360 nan 0.000 0.416 37 K N 2.992 123.402 120.400 0.017 0.000 2.116 37 K HA 0.091 4.411 4.320 0.000 0.000 0.203 37 K C 0.291 176.922 176.600 0.053 0.000 1.052 37 K CA 0.372 56.676 56.287 0.028 0.000 0.952 37 K CB -0.120 32.334 32.500 -0.076 0.000 0.729 37 K HN 0.253 nan 8.250 nan 0.000 0.446 38 N N 1.780 120.494 118.700 0.022 0.000 2.354 38 N HA -0.051 4.689 4.740 0.000 0.000 0.246 38 N C 0.626 176.160 175.510 0.040 0.000 1.285 38 N CA -0.047 53.014 53.050 0.019 0.000 0.925 38 N CB 0.782 39.258 38.487 -0.018 0.000 1.174 38 N HN 0.285 nan 8.380 nan 0.000 0.478 39 E N -0.971 119.246 120.200 0.027 0.000 2.204 39 E HA -0.109 4.241 4.350 0.000 0.000 0.195 39 E C -0.042 176.577 176.600 0.031 0.000 0.990 39 E CA 0.841 57.260 56.400 0.032 0.000 0.821 39 E CB 0.268 29.979 29.700 0.017 0.000 0.750 39 E HN 0.728 nan 8.360 nan 0.000 0.477 40 T N -3.036 111.521 114.554 0.005 0.000 2.838 40 T HA 0.551 4.901 4.350 0.000 0.000 0.292 40 T C -0.202 174.461 174.700 -0.063 0.000 1.113 40 T CA -1.028 61.058 62.100 -0.024 0.000 1.008 40 T CB 1.254 70.093 68.868 -0.049 0.000 1.259 40 T HN -0.022 nan 8.240 nan 0.000 0.520 41 L N 0.336 121.476 121.223 -0.137 0.000 2.387 41 L HA 0.695 5.035 4.340 0.000 0.000 0.266 41 L C 1.539 178.282 176.870 -0.212 0.000 1.059 41 L CA -0.272 54.441 54.840 -0.210 0.000 0.801 41 L CB 0.999 42.822 42.059 -0.393 0.000 1.223 41 L HN 1.213 nan 8.230 nan 0.000 0.456 42 G N -0.254 108.431 108.800 -0.192 0.000 2.192 42 G HA2 0.058 4.018 3.960 0.000 0.000 0.193 42 G HA3 0.058 4.018 3.960 0.000 0.000 0.193 42 G C 0.581 175.454 174.900 -0.045 0.000 0.999 42 G CA -0.029 44.977 45.100 -0.157 0.000 0.659 42 G HN 1.363 nan 8.290 nan 0.000 0.503 43 G N -0.649 108.130 108.800 -0.035 0.000 2.591 43 G HA2 -0.118 3.842 3.960 0.000 0.000 0.278 43 G HA3 -0.118 3.842 3.960 0.000 0.000 0.278 43 G C 1.091 175.967 174.900 -0.040 0.000 1.293 43 G CA 1.198 46.282 45.100 -0.028 0.000 0.930 43 G HN 1.251 nan 8.290 nan 0.000 0.562 44 T N -0.509 114.022 114.554 -0.038 0.000 2.777 44 T HA -0.155 4.195 4.350 0.000 0.000 0.266 44 T C 2.442 177.127 174.700 -0.026 0.000 1.040 44 T CA 2.266 64.343 62.100 -0.039 0.000 1.141 44 T CB -0.593 68.253 68.868 -0.038 0.000 0.868 44 T HN 0.912 nan 8.240 nan 0.000 0.444 45 c N 1.252 119.844 118.600 -0.015 0.000 2.413 45 c HA -0.021 4.549 4.570 0.000 0.000 0.277 45 c C 2.559 176.632 174.090 -0.027 0.000 1.228 45 c CA 0.820 57.142 56.329 -0.012 0.000 1.731 45 c CB -1.306 41.209 42.510 0.009 0.000 2.042 45 c HN 0.505 nan 8.230 nan 0.000 0.468 46 L N 1.705 122.908 121.223 -0.034 0.000 2.072 46 L HA 0.058 4.398 4.340 0.000 0.000 0.205 46 L C 2.148 178.983 176.870 -0.058 0.000 1.079 46 L CA 2.035 56.840 54.840 -0.057 0.000 0.752 46 L CB -1.163 40.844 42.059 -0.087 0.000 0.906 46 L HN 0.401 nan 8.230 nan 0.000 0.436 47 N N -0.507 118.161 118.700 -0.054 0.000 2.333 47 N HA 0.004 4.744 4.740 0.000 0.000 0.178 47 N C 0.935 176.424 175.510 -0.034 0.000 1.018 47 N CA 1.626 54.648 53.050 -0.048 0.000 0.882 47 N CB 0.564 39.021 38.487 -0.050 0.000 0.984 47 N HN 0.431 nan 8.380 nan 0.000 0.434 48 V N -4.038 115.858 119.914 -0.029 0.000 3.293 48 V HA 0.622 4.742 4.120 0.000 0.000 0.381 48 V C 0.420 176.508 176.094 -0.009 0.000 1.465 48 V CA -0.207 62.084 62.300 -0.016 0.000 1.331 48 V CB 0.556 32.370 31.823 -0.015 0.000 1.160 48 V HN 0.111 nan 8.190 nan 0.000 0.565 49 G N -0.017 108.773 108.800 -0.017 0.000 3.324 49 G HA2 0.211 4.171 3.960 0.000 0.000 0.188 49 G HA3 0.211 4.171 3.960 0.000 0.000 0.188 49 G C 0.991 175.875 174.900 -0.027 0.000 1.384 49 G CA 0.710 45.804 45.100 -0.011 0.000 0.841 49 G HN 0.278 nan 8.290 nan 0.000 0.758 50 c N 1.170 119.748 118.600 -0.036 0.000 2.376 50 c HA -0.067 4.503 4.570 0.000 0.000 0.275 50 c C 2.773 176.790 174.090 -0.121 0.000 1.200 50 c CA 0.561 56.841 56.329 -0.082 0.000 1.756 50 c CB -1.284 41.181 42.510 -0.076 0.000 2.050 50 c HN 0.403 nan 8.230 nan 0.000 0.460 51 I N 2.509 123.026 120.570 -0.090 0.000 2.090 51 I HA -0.091 4.079 4.170 0.000 0.000 0.236 51 I C 0.251 176.317 176.117 -0.084 0.000 1.064 51 I CA 1.519 62.764 61.300 -0.093 0.000 1.324 51 I CB -2.907 35.049 38.000 -0.073 0.000 1.044 51 I HN 0.211 nan 8.210 nan 0.000 0.399 52 P HA -0.127 nan 4.420 nan 0.000 0.216 52 P C 1.851 179.116 177.300 -0.059 0.000 1.150 52 P CA 2.222 65.292 63.100 -0.051 0.000 0.837 52 P CB -0.138 31.544 31.700 -0.030 0.000 0.786 53 S N -0.071 115.596 115.700 -0.055 0.000 2.368 53 S HA -0.118 4.352 4.470 0.000 0.000 0.224 53 S C 2.061 176.608 174.600 -0.088 0.000 1.029 53 S CA 1.088 59.256 58.200 -0.053 0.000 0.988 53 S CB -0.884 62.306 63.200 -0.018 0.000 0.838 53 S HN -0.000 nan 8.310 nan 0.000 0.462 54 K N 2.096 122.410 120.400 -0.143 0.000 2.097 54 K HA 0.238 4.558 4.320 0.000 0.000 0.206 54 K C 2.348 178.876 176.600 -0.120 0.000 1.049 54 K CA 1.205 57.377 56.287 -0.192 0.000 0.933 54 K CB -0.932 31.366 32.500 -0.337 0.000 0.717 54 K HN 0.478 nan 8.250 nan 0.000 0.442 55 A N 0.547 123.307 122.820 -0.099 0.000 1.877 55 A HA -0.137 4.183 4.320 0.000 0.000 0.216 55 A C 2.095 179.632 177.584 -0.078 0.000 1.186 55 A CA 1.359 53.354 52.037 -0.071 0.000 0.620 55 A CB -0.684 18.281 19.000 -0.058 0.000 0.822 55 A HN 0.220 nan 8.150 nan 0.000 0.443 56 L N -0.815 120.346 121.223 -0.103 0.000 2.131 56 L HA -0.152 4.188 4.340 0.000 0.000 0.210 56 L C 2.532 179.313 176.870 -0.149 0.000 1.092 56 L CA 0.852 55.600 54.840 -0.154 0.000 0.759 56 L CB -0.497 41.437 42.059 -0.208 0.000 0.903 56 L HN 0.382 nan 8.230 nan 0.000 0.435 57 L N -0.397 120.765 121.223 -0.101 0.000 2.093 57 L HA -0.227 4.113 4.340 0.000 0.000 0.208 57 L C 2.439 179.278 176.870 -0.052 0.000 1.085 57 L CA 1.355 56.164 54.840 -0.052 0.000 0.755 57 L CB -0.556 41.507 42.059 0.007 0.000 0.904 57 L HN 0.408 nan 8.230 nan 0.000 0.435 58 N N -0.091 118.560 118.700 -0.082 0.000 2.106 58 N HA -0.179 4.561 4.740 0.000 0.000 0.188 58 N C 1.568 176.977 175.510 -0.169 0.000 1.029 58 N CA 1.195 54.151 53.050 -0.156 0.000 0.848 58 N CB 0.102 38.535 38.487 -0.091 0.000 1.007 58 N HN 0.308 nan 8.380 nan 0.000 0.423 59 N N 0.765 119.437 118.700 -0.047 0.000 2.120 59 N HA -0.135 4.605 4.740 0.000 0.000 0.188 59 N C 1.960 177.482 175.510 0.021 0.000 1.024 59 N CA 1.573 54.642 53.050 0.030 0.000 0.852 59 N CB -0.650 37.833 38.487 -0.006 0.000 1.003 59 N HN 0.369 nan 8.380 nan 0.000 0.424 60 S N 0.158 115.829 115.700 -0.048 0.000 2.402 60 S HA -0.170 4.300 4.470 0.000 0.000 0.229 60 S C 1.857 176.498 174.600 0.067 0.000 1.021 60 S CA 0.877 59.067 58.200 -0.016 0.000 0.974 60 S CB -0.685 62.438 63.200 -0.128 0.000 0.800 60 S HN 0.484 nan 8.310 nan 0.000 0.484 61 H N -0.142 118.883 119.070 -0.076 0.000 2.389 61 H HA -0.085 4.471 4.556 0.000 0.000 0.299 61 H C 1.549 176.833 175.328 -0.074 0.000 1.081 61 H CA 1.570 57.558 56.048 -0.099 0.000 1.345 61 H CB -0.275 29.330 29.762 -0.262 0.000 1.393 61 H HN 0.472 nan 8.280 nan 0.000 0.520 62 Y N -0.094 120.075 120.300 -0.218 0.000 2.314 62 Y HA -0.181 4.369 4.550 0.000 0.000 0.293 62 Y C 2.563 178.286 175.900 -0.295 0.000 1.129 62 Y CA 0.898 58.819 58.100 -0.299 0.000 1.201 62 Y CB -1.145 37.250 38.460 -0.108 0.000 0.999 62 Y HN 0.287 nan 8.280 nan 0.000 0.541 63 Y N -0.021 120.237 120.300 -0.069 0.000 2.145 63 Y HA -0.296 4.254 4.550 0.000 0.000 0.286 63 Y C 2.851 178.709 175.900 -0.069 0.000 1.145 63 Y CA 2.232 60.278 58.100 -0.089 0.000 1.148 63 Y CB -0.924 37.487 38.460 -0.082 0.000 0.981 63 Y HN 0.325 nan 8.280 nan 0.000 0.507 64 H N -0.828 118.102 119.070 -0.234 0.000 2.353 64 H HA -0.161 4.395 4.556 0.000 0.000 0.300 64 H C 1.905 177.035 175.328 -0.329 0.000 1.090 64 H CA 1.452 57.350 56.048 -0.250 0.000 1.327 64 H CB 0.123 29.820 29.762 -0.109 0.000 1.383 64 H HN 0.290 nan 8.280 nan 0.000 0.508 65 M N 0.398 119.677 119.600 -0.535 0.000 2.159 65 M HA -0.084 4.396 4.480 0.000 0.000 0.263 65 M C 2.648 178.525 176.300 -0.706 0.000 1.063 65 M CA 1.189 56.128 55.300 -0.602 0.000 1.110 65 M CB -0.967 31.316 32.600 -0.528 0.000 1.374 65 M HN 0.420 nan 8.290 nan 0.000 0.411 66 A N -1.021 121.294 122.820 -0.841 0.000 1.855 66 A HA -0.154 4.166 4.320 0.000 0.000 0.213 66 A C 2.115 179.470 177.584 -0.382 0.000 1.195 66 A CA 1.231 52.827 52.037 -0.734 0.000 0.610 66 A CB -1.060 17.566 19.000 -0.623 0.000 0.837 66 A HN 0.564 nan 8.150 nan 0.000 0.444 67 H N 0.071 118.806 119.070 -0.558 0.000 2.524 67 H HA 0.073 4.629 4.556 0.000 0.000 0.282 67 H C 1.088 176.269 175.328 -0.245 0.000 1.016 67 H CA 0.990 56.766 56.048 -0.453 0.000 1.270 67 H CB -0.080 29.177 29.762 -0.843 0.000 1.394 67 H HN 0.447 nan 8.280 nan 0.000 0.568 68 G N -0.836 107.833 108.800 -0.218 0.000 2.736 68 G HA2 0.104 4.064 3.960 0.000 0.000 0.229 68 G HA3 0.104 4.064 3.960 0.000 0.000 0.229 68 G C 0.787 175.604 174.900 -0.139 0.000 1.380 68 G CA 0.140 45.152 45.100 -0.146 0.000 1.040 68 G HN 0.239 nan 8.290 nan 0.000 0.568 69 T N -0.016 114.486 114.554 -0.087 0.000 3.023 69 T HA -0.028 4.322 4.350 0.000 0.000 0.266 69 T C 1.759 176.448 174.700 -0.018 0.000 1.093 69 T CA 1.100 63.172 62.100 -0.047 0.000 1.129 69 T CB -0.127 68.730 68.868 -0.019 0.000 0.899 69 T HN 0.548 nan 8.240 nan 0.000 0.491 70 D N 0.828 121.204 120.400 -0.039 0.000 2.103 70 D HA -0.161 4.479 4.640 0.000 0.000 0.190 70 D C 1.658 178.070 176.300 0.187 0.000 0.997 70 D CA 1.326 55.356 54.000 0.050 0.000 0.833 70 D CB -0.086 40.731 40.800 0.028 0.000 0.961 70 D HN 0.247 nan 8.370 nan 0.000 0.447 71 F N 1.332 121.223 119.950 -0.100 0.000 2.171 71 F HA -0.079 4.448 4.527 0.000 0.000 0.300 71 F C 2.572 178.336 175.800 -0.061 0.000 1.090 71 F CA 0.784 58.737 58.000 -0.077 0.000 1.293 71 F CB -1.211 37.738 39.000 -0.086 0.000 1.013 71 F HN -0.000 nan 8.300 nan 0.000 0.486 72 A N 0.094 122.989 122.820 0.124 0.000 1.865 72 A HA -0.251 4.069 4.320 0.000 0.000 0.217 72 A C 2.398 179.993 177.584 0.018 0.000 1.191 72 A CA 2.511 54.574 52.037 0.044 0.000 0.623 72 A CB -1.381 17.628 19.000 0.015 0.000 0.826 72 A HN 0.411 nan 8.150 nan 0.000 0.444 73 S N -0.508 115.204 115.700 0.020 0.000 2.465 73 S HA -0.147 4.323 4.470 0.000 0.000 0.241 73 S C 1.651 176.245 174.600 -0.010 0.000 1.000 73 S CA 1.374 59.578 58.200 0.007 0.000 0.964 73 S CB -0.384 62.825 63.200 0.015 0.000 0.763 73 S HN 0.614 nan 8.310 nan 0.000 0.512 74 R N 0.217 120.699 120.500 -0.029 0.000 2.334 74 R HA 0.303 4.643 4.340 0.000 0.000 0.216 74 R C 1.413 177.661 176.300 -0.087 0.000 0.905 74 R CA 0.410 56.463 56.100 -0.079 0.000 1.064 74 R CB 0.132 30.332 30.300 -0.167 0.000 1.046 74 R HN 0.561 nan 8.270 nan 0.000 0.508 75 G N 1.452 110.219 108.800 -0.055 0.000 2.141 75 G HA2 -0.240 3.720 3.960 0.000 0.000 0.242 75 G HA3 -0.240 3.720 3.960 0.000 0.000 0.242 75 G C 0.072 174.939 174.900 -0.055 0.000 0.982 75 G CA -0.359 44.712 45.100 -0.048 0.000 0.662 75 G HN 0.232 nan 8.290 nan 0.000 0.527 76 I N 1.618 122.152 120.570 -0.060 0.000 2.347 76 I HA 0.349 4.519 4.170 0.000 0.000 0.283 76 I C 0.146 176.291 176.117 0.047 0.000 1.058 76 I CA -0.381 60.898 61.300 -0.034 0.000 1.202 76 I CB 0.829 38.755 38.000 -0.123 0.000 1.386 76 I HN 0.110 nan 8.210 nan 0.000 0.475 77 E N 7.831 128.047 120.200 0.026 0.000 2.191 77 E HA 0.639 4.989 4.350 0.000 0.000 0.278 77 E C -0.607 176.010 176.600 0.029 0.000 0.972 77 E CA -0.783 55.633 56.400 0.027 0.000 0.804 77 E CB 1.850 31.555 29.700 0.009 0.000 1.110 77 E HN 0.416 nan 8.360 nan 0.000 0.394 78 M N 0.069 119.683 119.600 0.024 0.000 2.433 78 M HA 0.400 4.880 4.480 0.000 0.000 0.290 78 M C 0.066 176.371 176.300 0.008 0.000 1.173 78 M CA -0.812 54.500 55.300 0.020 0.000 0.905 78 M CB 1.602 34.218 32.600 0.026 0.000 1.692 78 M HN 0.240 nan 8.290 nan 0.000 0.462 79 S N 0.732 116.438 115.700 0.009 0.000 2.351 79 S HA -0.072 4.398 4.470 0.000 0.000 0.220 79 S C 0.532 175.136 174.600 0.007 0.000 1.035 79 S CA 1.475 59.679 58.200 0.006 0.000 1.031 79 S CB 0.013 63.219 63.200 0.009 0.000 0.928 79 S HN 0.777 nan 8.310 nan 0.000 0.433 80 E N -0.261 119.950 120.200 0.018 0.000 2.367 80 E HA 0.554 4.904 4.350 0.000 0.000 0.273 80 E C -2.001 174.628 176.600 0.049 0.000 0.903 80 E CA -0.469 55.951 56.400 0.033 0.000 0.764 80 E CB 2.162 31.886 29.700 0.040 0.000 1.252 80 E HN -0.038 nan 8.360 nan 0.000 0.446 81 V N 3.722 123.690 119.914 0.089 0.000 2.483 81 V HA 0.503 4.623 4.120 0.000 0.000 0.297 81 V C -0.701 175.516 176.094 0.205 0.000 1.027 81 V CA -0.595 61.775 62.300 0.118 0.000 0.855 81 V CB 1.639 33.505 31.823 0.072 0.000 0.995 81 V HN 0.605 nan 8.190 nan 0.000 0.424 82 R N 3.759 124.363 120.500 0.173 0.000 2.599 82 R HA 0.611 4.951 4.340 0.000 0.000 0.295 82 R C -1.217 175.168 176.300 0.141 0.000 0.963 82 R CA -1.015 55.178 56.100 0.156 0.000 0.883 82 R CB 2.446 32.795 30.300 0.081 0.000 1.171 82 R HN 0.517 nan 8.270 nan 0.000 0.450 83 L N 2.674 123.911 121.223 0.023 0.000 2.319 83 L HA 0.231 4.571 4.340 0.000 0.000 0.280 83 L C -0.362 176.436 176.870 -0.120 0.000 1.099 83 L CA 0.107 54.822 54.840 -0.207 0.000 0.828 83 L CB 0.567 42.297 42.059 -0.547 0.000 1.150 83 L HN 0.534 nan 8.230 nan 0.000 0.442 84 N N 4.719 123.361 118.700 -0.097 0.000 2.936 84 N HA 0.037 4.777 4.740 0.000 0.000 0.243 84 N C 0.726 176.191 175.510 -0.075 0.000 1.149 84 N CA -0.395 52.620 53.050 -0.059 0.000 0.914 84 N CB 0.392 38.862 38.487 -0.028 0.000 1.179 84 N HN 0.743 nan 8.380 nan 0.000 0.502 85 L N 2.234 123.409 121.223 -0.080 0.000 2.189 85 L HA -0.102 4.239 4.340 0.000 0.000 0.214 85 L C 1.433 178.286 176.870 -0.027 0.000 1.097 85 L CA 1.798 56.603 54.840 -0.058 0.000 0.764 85 L CB -0.198 41.858 42.059 -0.006 0.000 0.900 85 L HN 0.455 nan 8.230 nan 0.000 0.436 86 D N -0.734 119.654 120.400 -0.021 0.000 2.117 86 D HA -0.193 4.447 4.640 0.000 0.000 0.198 86 D C 2.051 178.341 176.300 -0.016 0.000 0.982 86 D CA 1.046 55.039 54.000 -0.012 0.000 0.828 86 D CB 0.258 41.051 40.800 -0.011 0.000 0.967 86 D HN 0.203 nan 8.370 nan 0.000 0.464 87 K N 0.910 121.297 120.400 -0.022 0.000 2.103 87 K HA -0.027 4.293 4.320 0.000 0.000 0.204 87 K C 2.051 178.636 176.600 -0.024 0.000 1.052 87 K CA 0.681 56.957 56.287 -0.019 0.000 0.945 87 K CB -0.422 32.068 32.500 -0.015 0.000 0.722 87 K HN 0.052 nan 8.250 nan 0.000 0.443 88 M N -0.579 118.997 119.600 -0.040 0.000 2.213 88 M HA -0.092 4.388 4.480 0.000 0.000 0.263 88 M C 1.384 177.655 176.300 -0.048 0.000 1.062 88 M CA 1.326 56.595 55.300 -0.052 0.000 1.105 88 M CB 0.079 32.621 32.600 -0.096 0.000 1.385 88 M HN 0.115 nan 8.290 nan 0.000 0.417 89 M N -0.597 118.983 119.600 -0.034 0.000 2.447 89 M HA -0.083 4.397 4.480 0.000 0.000 0.264 89 M C 1.895 178.184 176.300 -0.017 0.000 1.095 89 M CA 1.178 56.466 55.300 -0.021 0.000 1.125 89 M CB -0.927 31.676 32.600 0.004 0.000 1.389 89 M HN 0.449 nan 8.290 nan 0.000 0.459 90 E N 0.341 120.531 120.200 -0.016 0.000 2.047 90 E HA -0.231 4.119 4.350 0.000 0.000 0.191 90 E C 2.034 178.624 176.600 -0.016 0.000 0.987 90 E CA 0.985 57.377 56.400 -0.014 0.000 0.799 90 E CB 0.029 29.722 29.700 -0.012 0.000 0.752 90 E HN 0.324 nan 8.360 nan 0.000 0.449 91 Q N 1.478 121.269 119.800 -0.016 0.000 2.152 91 Q HA -0.248 4.092 4.340 0.000 0.000 0.206 91 Q C 2.042 178.030 176.000 -0.019 0.000 0.985 91 Q CA 1.847 57.642 55.803 -0.013 0.000 0.863 91 Q CB -0.230 28.505 28.738 -0.005 0.000 0.904 91 Q HN 0.226 nan 8.270 nan 0.000 0.422 92 K N -0.452 119.932 120.400 -0.026 0.000 2.025 92 K HA -0.073 4.247 4.320 0.000 0.000 0.207 92 K C 2.149 178.731 176.600 -0.030 0.000 1.049 92 K CA 1.548 57.816 56.287 -0.032 0.000 0.933 92 K CB -0.027 32.450 32.500 -0.038 0.000 0.714 92 K HN 0.082 nan 8.250 nan 0.000 0.438 93 S N 0.430 116.115 115.700 -0.024 0.000 2.382 93 S HA -0.104 4.366 4.470 0.000 0.000 0.228 93 S C 1.863 176.446 174.600 -0.028 0.000 1.027 93 S CA 1.768 59.953 58.200 -0.024 0.000 0.991 93 S CB -0.348 62.841 63.200 -0.018 0.000 0.823 93 S HN 0.458 nan 8.310 nan 0.000 0.469 94 T N 2.309 116.848 114.554 -0.025 0.000 2.746 94 T HA -0.046 4.304 4.350 0.000 0.000 0.267 94 T C 2.147 176.827 174.700 -0.034 0.000 1.039 94 T CA 1.216 63.300 62.100 -0.027 0.000 1.142 94 T CB -0.470 68.385 68.868 -0.022 0.000 0.866 94 T HN 0.471 nan 8.240 nan 0.000 0.444 95 A N 1.039 123.839 122.820 -0.034 0.000 1.877 95 A HA -0.059 4.261 4.320 0.000 0.000 0.216 95 A C 2.584 180.137 177.584 -0.052 0.000 1.186 95 A CA 1.514 53.526 52.037 -0.041 0.000 0.620 95 A CB -1.032 17.945 19.000 -0.039 0.000 0.822 95 A HN 0.355 nan 8.150 nan 0.000 0.443 96 V N 0.480 120.363 119.914 -0.051 0.000 2.261 96 V HA -0.290 3.830 4.120 0.000 0.000 0.246 96 V C 2.549 178.603 176.094 -0.066 0.000 1.047 96 V CA 2.536 64.800 62.300 -0.060 0.000 1.015 96 V CB -0.817 30.976 31.823 -0.051 0.000 0.642 96 V HN 0.698 nan 8.190 nan 0.000 0.446 97 K N 1.182 121.550 120.400 -0.053 0.000 2.044 97 K HA -0.212 4.108 4.320 0.000 0.000 0.210 97 K C 2.044 178.606 176.600 -0.062 0.000 1.049 97 K CA 2.069 58.324 56.287 -0.052 0.000 0.927 97 K CB -0.721 31.755 32.500 -0.039 0.000 0.713 97 K HN 0.398 nan 8.250 nan 0.000 0.443 98 A N 0.544 123.327 122.820 -0.061 0.000 1.873 98 A HA -0.074 4.246 4.320 0.000 0.000 0.215 98 A C 2.248 179.779 177.584 -0.088 0.000 1.186 98 A CA 1.603 53.600 52.037 -0.067 0.000 0.616 98 A CB -0.679 18.286 19.000 -0.058 0.000 0.823 98 A HN 0.344 nan 8.150 nan 0.000 0.442 99 L N 0.073 121.240 121.223 -0.095 0.000 2.141 99 L HA -0.149 4.191 4.340 0.000 0.000 0.209 99 L C 2.968 179.733 176.870 -0.175 0.000 1.094 99 L CA 1.687 56.452 54.840 -0.125 0.000 0.763 99 L CB -0.699 41.292 42.059 -0.113 0.000 0.908 99 L HN 0.683 nan 8.230 nan 0.000 0.437 100 T N -3.591 110.871 114.554 -0.155 0.000 2.812 100 T HA -0.078 4.272 4.350 0.000 0.000 0.264 100 T C 1.979 176.572 174.700 -0.178 0.000 1.042 100 T CA 0.898 62.886 62.100 -0.187 0.000 1.140 100 T CB -0.909 67.878 68.868 -0.133 0.000 0.870 100 T HN 0.356 nan 8.240 nan 0.000 0.445 101 G N 1.374 110.102 108.800 -0.120 0.000 2.442 101 G HA2 0.028 3.988 3.960 0.000 0.000 0.219 101 G HA3 0.028 3.988 3.960 0.000 0.000 0.219 101 G C 1.720 176.566 174.900 -0.090 0.000 1.141 101 G CA 0.696 45.745 45.100 -0.086 0.000 0.763 101 G HN 0.665 nan 8.290 nan 0.000 0.554 102 G N 0.963 109.689 108.800 -0.123 0.000 2.422 102 G HA2 -0.149 3.811 3.960 0.000 0.000 0.218 102 G HA3 -0.149 3.811 3.960 0.000 0.000 0.218 102 G C 1.641 176.437 174.900 -0.173 0.000 1.146 102 G CA 0.862 45.895 45.100 -0.113 0.000 0.769 102 G HN 0.330 nan 8.290 nan 0.000 0.547 103 I N 1.910 122.274 120.570 -0.344 0.000 2.142 103 I HA -0.123 4.047 4.170 0.000 0.000 0.240 103 I C 3.306 179.116 176.117 -0.512 0.000 1.078 103 I CA 1.196 62.134 61.300 -0.603 0.000 1.343 103 I CB -1.499 35.992 38.000 -0.849 0.000 1.046 103 I HN 0.259 nan 8.210 nan 0.000 0.405 104 A N 0.305 122.925 122.820 -0.334 0.000 1.903 104 A HA -0.302 4.018 4.320 0.000 0.000 0.219 104 A C 2.407 179.991 177.584 -0.001 0.000 1.191 104 A CA 2.163 54.115 52.037 -0.142 0.000 0.638 104 A CB -1.303 17.672 19.000 -0.042 0.000 0.823 104 A HN 0.555 nan 8.150 nan 0.000 0.451 105 H N -0.251 118.778 119.070 -0.069 0.000 2.387 105 H HA -0.018 4.538 4.556 0.000 0.000 0.299 105 H C 1.936 177.279 175.328 0.025 0.000 1.090 105 H CA 1.810 57.850 56.048 -0.012 0.000 1.332 105 H CB -0.102 29.642 29.762 -0.029 0.000 1.386 105 H HN 0.444 nan 8.280 nan 0.000 0.516 106 L N -0.323 120.938 121.223 0.062 0.000 2.141 106 L HA -0.161 4.179 4.340 0.000 0.000 0.209 106 L C 2.540 179.528 176.870 0.196 0.000 1.094 106 L CA 0.482 55.379 54.840 0.095 0.000 0.763 106 L CB -0.455 41.665 42.059 0.101 0.000 0.908 106 L HN 0.154 nan 8.230 nan 0.000 0.437 107 F N 0.863 120.802 119.950 -0.018 0.000 2.084 107 F HA -0.207 4.320 4.527 0.000 0.000 0.296 107 F C 2.635 178.417 175.800 -0.029 0.000 1.111 107 F CA 1.379 59.375 58.000 -0.007 0.000 1.224 107 F CB -0.854 38.139 39.000 -0.011 0.000 0.991 107 F HN 0.056 nan 8.300 nan 0.000 0.471 108 K N 0.531 121.019 120.400 0.147 0.000 2.044 108 K HA -0.285 4.035 4.320 0.000 0.000 0.210 108 K C 2.116 178.689 176.600 -0.045 0.000 1.049 108 K CA 1.972 58.271 56.287 0.019 0.000 0.927 108 K CB -0.479 31.994 32.500 -0.045 0.000 0.713 108 K HN 0.328 nan 8.250 nan 0.000 0.443 109 Q N -0.012 119.717 119.800 -0.118 0.000 2.226 109 Q HA -0.124 4.216 4.340 0.000 0.000 0.204 109 Q C 0.885 176.874 176.000 -0.018 0.000 0.975 109 Q CA 1.341 57.081 55.803 -0.105 0.000 0.866 109 Q CB 0.096 28.751 28.738 -0.139 0.000 0.915 109 Q HN 0.403 nan 8.270 nan 0.000 0.440 110 N N -0.150 118.565 118.700 0.024 0.000 2.230 110 N HA 0.025 4.765 4.740 0.000 0.000 0.202 110 N C -0.486 175.027 175.510 0.005 0.000 1.119 110 N CA 0.167 53.234 53.050 0.029 0.000 0.851 110 N CB 0.751 39.278 38.487 0.067 0.000 0.990 110 N HN 0.047 nan 8.380 nan 0.000 0.497 111 K N -0.375 120.025 120.400 -0.002 0.000 3.291 111 K HA -0.098 4.222 4.320 0.000 0.000 0.290 111 K C -0.882 175.693 176.600 -0.042 0.000 1.235 111 K CA 0.194 56.473 56.287 -0.014 0.000 0.848 111 K CB -2.045 30.448 32.500 -0.012 0.000 1.295 111 K HN -0.044 nan 8.250 nan 0.000 0.497 112 V N 1.416 121.283 119.914 -0.079 0.000 2.455 112 V HA 0.129 4.249 4.120 0.000 0.000 0.273 112 V C 0.716 176.709 176.094 -0.169 0.000 1.045 112 V CA -0.690 61.476 62.300 -0.225 0.000 0.976 112 V CB 1.365 32.844 31.823 -0.573 0.000 0.993 112 V HN 0.064 nan 8.190 nan 0.000 0.475 113 V N 6.057 125.898 119.914 -0.121 0.000 2.479 113 V HA 0.094 4.214 4.120 0.000 0.000 0.281 113 V C 0.442 176.536 176.094 0.000 0.000 1.031 113 V CA -0.177 62.100 62.300 -0.038 0.000 1.038 113 V CB 0.169 31.974 31.823 -0.030 0.000 0.981 113 V HN 0.885 nan 8.190 nan 0.000 0.478 114 H N 4.687 123.740 119.070 -0.028 0.000 2.556 114 H HA 0.547 5.103 4.556 0.000 0.000 0.310 114 H C -1.193 174.157 175.328 0.037 0.000 1.057 114 H CA -0.776 55.293 56.048 0.035 0.000 1.264 114 H CB 1.501 31.365 29.762 0.169 0.000 1.404 114 H HN 0.476 nan 8.280 nan 0.000 0.462 115 V N 6.407 126.386 119.914 0.109 0.000 2.370 115 V HA 0.084 4.204 4.120 0.000 0.000 0.283 115 V C 0.232 176.314 176.094 -0.020 0.000 1.023 115 V CA -0.716 61.561 62.300 -0.038 0.000 0.857 115 V CB 1.201 33.037 31.823 0.021 0.000 0.985 115 V HN 0.809 nan 8.190 nan 0.000 0.443 116 N N 3.486 122.084 118.700 -0.170 0.000 2.455 116 N HA 0.674 5.414 4.740 0.000 0.000 0.280 116 N C -0.067 175.462 175.510 0.032 0.000 1.055 116 N CA 0.401 53.437 53.050 -0.024 0.000 0.961 116 N CB 1.311 39.745 38.487 -0.089 0.000 1.121 116 N HN 0.982 nan 8.380 nan 0.000 0.476 117 G N 1.555 110.405 108.800 0.083 0.000 2.333 117 G HA2 -0.051 3.909 3.960 0.000 0.000 0.330 117 G HA3 -0.051 3.909 3.960 0.000 0.000 0.330 117 G C -2.172 172.815 174.900 0.145 0.000 1.465 117 G CA -0.939 44.225 45.100 0.107 0.000 0.996 117 G HN 0.528 nan 8.290 nan 0.000 0.655 118 Y N 0.970 121.304 120.300 0.057 0.000 2.377 118 Y HA 0.505 5.055 4.550 0.000 0.000 0.330 118 Y C 1.000 176.936 175.900 0.059 0.000 1.108 118 Y CA 1.137 59.279 58.100 0.069 0.000 1.308 118 Y CB 1.259 39.761 38.460 0.068 0.000 1.216 118 Y HN 0.821 nan 8.280 nan 0.000 0.518 119 G N 5.277 114.181 108.800 0.173 0.000 2.388 119 G HA2 0.501 4.461 3.960 0.000 0.000 0.330 119 G HA3 0.501 4.461 3.960 0.000 0.000 0.330 119 G C -1.649 173.368 174.900 0.196 0.000 1.142 119 G CA -0.897 44.295 45.100 0.154 0.000 0.908 119 G HN 0.593 nan 8.290 nan 0.000 0.473 120 K N 1.928 122.415 120.400 0.145 0.000 2.482 120 K HA 0.424 4.744 4.320 0.000 0.000 0.251 120 K C -0.541 176.099 176.600 0.068 0.000 0.936 120 K CA -0.840 55.518 56.287 0.118 0.000 0.791 120 K CB 1.808 34.373 32.500 0.108 0.000 1.213 120 K HN 0.390 nan 8.250 nan 0.000 0.428 121 I N 4.796 125.397 120.570 0.052 0.000 2.389 121 I HA -0.020 4.150 4.170 0.000 0.000 0.295 121 I C 1.321 177.454 176.117 0.026 0.000 1.117 121 I CA 0.082 61.402 61.300 0.033 0.000 1.317 121 I CB 0.808 38.823 38.000 0.025 0.000 1.431 121 I HN 0.789 nan 8.210 nan 0.000 0.521 122 T N 1.283 115.851 114.554 0.024 0.000 3.081 122 T HA 0.300 4.650 4.350 0.000 0.000 0.250 122 T C 0.696 175.402 174.700 0.011 0.000 1.100 122 T CA 0.024 62.134 62.100 0.017 0.000 1.038 122 T CB 0.360 69.239 68.868 0.018 0.000 0.962 122 T HN 0.693 nan 8.240 nan 0.000 0.516 123 G N 0.025 108.830 108.800 0.009 0.000 2.579 123 G HA2 0.385 4.345 3.960 0.000 0.000 0.292 123 G HA3 0.385 4.345 3.960 0.000 0.000 0.292 123 G C -0.101 174.801 174.900 0.004 0.000 1.484 123 G CA -0.940 44.163 45.100 0.005 0.000 0.813 123 G HN -0.056 nan 8.290 nan 0.000 0.515 124 K N -0.239 120.161 120.400 0.000 0.000 2.293 124 K HA -0.102 4.218 4.320 0.000 0.000 0.204 124 K C 0.763 177.363 176.600 0.000 0.000 1.045 124 K CA 1.304 57.589 56.287 -0.003 0.000 0.933 124 K CB 0.071 32.567 32.500 -0.007 0.000 0.736 124 K HN 0.420 nan 8.250 nan 0.000 0.463 125 N N 0.024 118.726 118.700 0.002 0.000 2.307 125 N HA 0.021 4.761 4.740 0.000 0.000 0.248 125 N C -0.903 174.610 175.510 0.005 0.000 1.322 125 N CA 0.020 53.072 53.050 0.003 0.000 0.861 125 N CB 1.231 39.720 38.487 0.002 0.000 1.303 125 N HN 0.153 nan 8.380 nan 0.000 0.498 126 Q N 1.078 120.882 119.800 0.007 0.000 2.372 126 Q HA 0.559 4.899 4.340 0.000 0.000 0.273 126 Q C -1.687 174.322 176.000 0.015 0.000 1.078 126 Q CA -0.578 55.231 55.803 0.010 0.000 0.806 126 Q CB 2.766 31.509 28.738 0.010 0.000 1.332 126 Q HN -0.129 nan 8.270 nan 0.000 0.435 127 V N 1.967 121.892 119.914 0.018 0.000 2.686 127 V HA 0.519 4.639 4.120 0.000 0.000 0.306 127 V C -0.844 175.268 176.094 0.031 0.000 1.065 127 V CA -0.608 61.709 62.300 0.027 0.000 0.894 127 V CB 2.326 34.165 31.823 0.026 0.000 1.004 127 V HN 0.843 nan 8.190 nan 0.000 0.424 128 T N 3.618 118.198 114.554 0.043 0.000 2.824 128 T HA 0.740 5.090 4.350 0.000 0.000 0.282 128 T C -0.182 174.558 174.700 0.067 0.000 0.993 128 T CA -0.319 61.808 62.100 0.045 0.000 0.967 128 T CB 1.699 70.590 68.868 0.038 0.000 0.960 128 T HN 0.953 nan 8.240 nan 0.000 0.441 129 A N 2.594 125.450 122.820 0.061 0.000 2.288 129 A HA 0.681 5.001 4.320 0.000 0.000 0.320 129 A C 0.121 177.749 177.584 0.074 0.000 1.217 129 A CA -0.651 51.434 52.037 0.080 0.000 0.840 129 A CB 0.513 19.550 19.000 0.061 0.000 1.179 129 A HN 0.696 nan 8.150 nan 0.000 0.504 130 T N 3.735 118.350 114.554 0.102 0.000 2.842 130 T HA 0.313 4.663 4.350 0.000 0.000 0.308 130 T C 0.190 174.940 174.700 0.083 0.000 1.041 130 T CA -0.355 61.789 62.100 0.072 0.000 0.964 130 T CB 0.493 69.391 68.868 0.051 0.000 0.972 130 T HN 0.695 nan 8.240 nan 0.000 0.460 131 K N 1.190 121.624 120.400 0.057 0.000 2.159 131 K HA 0.447 4.767 4.320 0.000 0.000 0.242 131 K C 1.637 178.265 176.600 0.046 0.000 1.043 131 K CA -0.117 56.201 56.287 0.051 0.000 0.856 131 K CB 0.219 32.736 32.500 0.028 0.000 1.072 131 K HN 0.531 nan 8.250 nan 0.000 0.514 132 A N 1.269 124.115 122.820 0.042 0.000 1.929 132 A HA -0.152 4.168 4.320 0.000 0.000 0.216 132 A C 1.390 178.986 177.584 0.020 0.000 1.176 132 A CA 1.823 53.881 52.037 0.034 0.000 0.628 132 A CB -0.613 18.408 19.000 0.034 0.000 0.816 132 A HN 0.899 nan 8.150 nan 0.000 0.444 133 D N -1.623 118.787 120.400 0.017 0.000 2.392 133 D HA 0.116 4.756 4.640 0.000 0.000 0.228 133 D C 1.272 177.577 176.300 0.009 0.000 1.003 133 D CA 1.187 55.194 54.000 0.011 0.000 0.917 133 D CB -0.304 40.501 40.800 0.009 0.000 0.890 133 D HN 0.751 nan 8.370 nan 0.000 0.532 134 G N 0.355 109.162 108.800 0.011 0.000 2.258 134 G HA2 -0.228 3.732 3.960 0.000 0.000 0.233 134 G HA3 -0.228 3.732 3.960 0.000 0.000 0.233 134 G C 0.774 175.680 174.900 0.010 0.000 1.006 134 G CA 0.128 45.233 45.100 0.007 0.000 0.620 134 G HN 0.759 nan 8.290 nan 0.000 0.511 135 G N -0.014 108.793 108.800 0.011 0.000 2.583 135 G HA2 0.441 4.401 3.960 0.000 0.000 0.230 135 G HA3 0.441 4.401 3.960 0.000 0.000 0.230 135 G C 0.071 174.980 174.900 0.015 0.000 1.249 135 G CA 1.412 46.518 45.100 0.010 0.000 0.857 135 G HN 0.902 nan 8.290 nan 0.000 0.569 136 T N 0.504 115.066 114.554 0.012 0.000 2.906 136 T HA 0.572 4.922 4.350 0.000 0.000 0.295 136 T C -0.762 173.946 174.700 0.013 0.000 1.061 136 T CA -0.369 61.741 62.100 0.016 0.000 1.000 136 T CB 1.996 70.873 68.868 0.014 0.000 1.103 136 T HN 0.638 nan 8.240 nan 0.000 0.486 137 Q N 1.993 121.803 119.800 0.017 0.000 2.263 137 Q HA 0.572 4.912 4.340 0.000 0.000 0.262 137 Q C -1.497 174.513 176.000 0.017 0.000 0.984 137 Q CA -0.787 55.023 55.803 0.013 0.000 0.813 137 Q CB 1.345 30.088 28.738 0.008 0.000 1.299 137 Q HN 0.650 nan 8.270 nan 0.000 0.428 138 V N 1.420 121.342 119.914 0.013 0.000 2.581 138 V HA 0.844 4.964 4.120 0.000 0.000 0.303 138 V C -0.618 175.482 176.094 0.011 0.000 1.041 138 V CA -0.745 61.563 62.300 0.014 0.000 0.907 138 V CB 1.556 33.386 31.823 0.013 0.000 0.994 138 V HN 0.688 nan 8.190 nan 0.000 0.442 139 I N 3.075 123.652 120.570 0.011 0.000 2.436 139 I HA 0.488 4.658 4.170 0.000 0.000 0.289 139 I C -0.520 175.601 176.117 0.005 0.000 1.010 139 I CA -0.053 61.251 61.300 0.007 0.000 1.098 139 I CB 1.780 39.783 38.000 0.005 0.000 1.266 139 I HN 0.607 nan 8.210 nan 0.000 0.434 140 D N 4.430 124.832 120.400 0.003 0.000 2.373 140 D HA 0.330 4.970 4.640 0.000 0.000 0.227 140 D C -0.232 176.068 176.300 -0.001 0.000 1.091 140 D CA 0.085 54.087 54.000 0.003 0.000 0.840 140 D CB 1.826 42.628 40.800 0.004 0.000 1.060 140 D HN 0.449 nan 8.370 nan 0.000 0.502 141 T N 0.705 115.257 114.554 -0.004 0.000 2.906 141 T HA 0.254 4.604 4.350 0.000 0.000 0.295 141 T C 0.985 175.677 174.700 -0.014 0.000 1.075 141 T CA -0.607 61.485 62.100 -0.014 0.000 1.005 141 T CB 1.567 70.422 68.868 -0.022 0.000 1.136 141 T HN 0.109 nan 8.240 nan 0.000 0.498 142 K N 1.514 121.898 120.400 -0.027 0.000 2.116 142 K HA 0.171 4.491 4.320 0.000 0.000 0.203 142 K C 0.501 177.089 176.600 -0.021 0.000 1.052 142 K CA 0.712 56.986 56.287 -0.022 0.000 0.952 142 K CB 0.118 32.600 32.500 -0.031 0.000 0.729 142 K HN 0.411 nan 8.250 nan 0.000 0.446 143 N N 0.337 119.007 118.700 -0.050 0.000 2.229 143 N HA 0.366 5.106 4.740 0.000 0.000 0.298 143 N C -1.106 174.401 175.510 -0.004 0.000 1.114 143 N CA -0.480 52.566 53.050 -0.007 0.000 0.776 143 N CB 2.357 40.801 38.487 -0.071 0.000 1.501 143 N HN -0.085 nan 8.380 nan 0.000 0.474 144 I N 1.627 122.237 120.570 0.066 0.000 2.433 144 I HA 0.331 4.501 4.170 0.000 0.000 0.292 144 I C -0.880 175.303 176.117 0.110 0.000 1.001 144 I CA -0.908 60.424 61.300 0.053 0.000 1.119 144 I CB 2.039 40.065 38.000 0.044 0.000 1.289 144 I HN 0.176 nan 8.210 nan 0.000 0.438 145 L N 8.202 129.457 121.223 0.053 0.000 2.342 145 L HA 0.559 4.899 4.340 0.000 0.000 0.276 145 L C -0.765 176.132 176.870 0.044 0.000 0.997 145 L CA -0.183 54.694 54.840 0.062 0.000 0.838 145 L CB 1.156 43.196 42.059 -0.031 0.000 1.224 145 L HN 0.397 nan 8.230 nan 0.000 0.416 146 I N 5.524 126.134 120.570 0.067 0.000 2.337 146 I HA 0.470 4.640 4.170 0.000 0.000 0.291 146 I C 0.518 176.657 176.117 0.038 0.000 1.046 146 I CA -0.013 61.316 61.300 0.049 0.000 1.324 146 I CB 1.366 39.399 38.000 0.055 0.000 1.409 146 I HN 0.838 nan 8.210 nan 0.000 0.494 147 A N 3.684 126.520 122.820 0.027 0.000 2.992 147 A HA 0.220 4.540 4.320 0.000 0.000 0.263 147 A C 0.972 178.575 177.584 0.032 0.000 0.928 147 A CA -0.357 51.690 52.037 0.016 0.000 1.061 147 A CB -0.387 18.611 19.000 -0.003 0.000 1.173 147 A HN 0.740 nan 8.150 nan 0.000 0.482 148 T N -2.844 111.744 114.554 0.057 0.000 3.163 148 T HA 0.387 4.737 4.350 0.000 0.000 0.260 148 T C 1.457 176.228 174.700 0.117 0.000 1.156 148 T CA 1.071 63.231 62.100 0.099 0.000 1.072 148 T CB -0.436 68.522 68.868 0.150 0.000 0.937 148 T HN 1.959 nan 8.240 nan 0.000 0.528 149 G N 1.710 110.552 108.800 0.070 0.000 2.574 149 G HA2 -0.150 3.810 3.960 0.000 0.000 0.286 149 G HA3 -0.150 3.810 3.960 0.000 0.000 0.286 149 G C 0.048 175.002 174.900 0.091 0.000 1.212 149 G CA 0.570 45.699 45.100 0.048 0.000 0.979 149 G HN 1.669 nan 8.290 nan 0.000 0.557 150 S N -0.783 114.945 115.700 0.048 0.000 2.705 150 S HA 0.801 5.271 4.470 0.000 0.000 0.280 150 S C -0.720 173.882 174.600 0.003 0.000 1.174 150 S CA 0.359 58.607 58.200 0.080 0.000 0.823 150 S CB 2.409 65.641 63.200 0.053 0.000 1.162 150 S HN 1.772 nan 8.310 nan 0.000 0.487 151 E N -0.511 119.722 120.200 0.055 0.000 2.456 151 E HA 0.679 5.029 4.350 0.000 0.000 0.276 151 E C -1.355 175.274 176.600 0.048 0.000 0.981 151 E CA -1.280 55.127 56.400 0.010 0.000 0.814 151 E CB 1.322 31.053 29.700 0.051 0.000 1.382 151 E HN 0.403 nan 8.360 nan 0.000 0.459 152 V N 1.236 121.173 119.914 0.039 0.000 2.740 152 V HA 0.111 4.231 4.120 0.000 0.000 0.303 152 V C 0.046 176.181 176.094 0.068 0.000 1.054 152 V CA 0.174 62.506 62.300 0.053 0.000 1.106 152 V CB 1.167 33.019 31.823 0.048 0.000 0.957 152 V HN 0.691 nan 8.190 nan 0.000 0.486 153 T N 7.567 122.161 114.554 0.067 0.000 2.749 153 T HA 0.319 4.669 4.350 0.000 0.000 0.295 153 T C -2.165 172.577 174.700 0.071 0.000 0.936 153 T CA -0.658 61.478 62.100 0.060 0.000 1.060 153 T CB 1.114 70.008 68.868 0.044 0.000 0.904 153 T HN 0.608 nan 8.240 nan 0.000 0.500 154 P HA 0.301 nan 4.420 nan 0.000 0.277 154 P C -0.958 176.402 177.300 0.099 0.000 1.240 154 P CA -0.685 62.470 63.100 0.091 0.000 0.798 154 P CB 0.710 32.455 31.700 0.074 0.000 0.979 155 F N 4.858 124.814 119.950 0.011 0.000 2.335 155 F HA 0.318 4.845 4.527 0.000 0.000 0.365 155 F C -1.921 173.880 175.800 0.002 0.000 1.122 155 F CA -3.119 54.883 58.000 0.004 0.000 1.151 155 F CB 0.410 39.413 39.000 0.006 0.000 1.282 155 F HN 0.135 nan 8.300 nan 0.000 0.513 156 P HA 0.170 nan 4.420 nan 0.000 0.261 156 P C 0.563 177.997 177.300 0.223 0.000 1.183 156 P CA 1.346 64.491 63.100 0.076 0.000 0.761 156 P CB 0.963 32.637 31.700 -0.044 0.000 0.785 157 G N 3.799 112.705 108.800 0.178 0.000 2.659 157 G HA2 -0.190 3.770 3.960 0.000 0.000 0.202 157 G HA3 -0.190 3.770 3.960 0.000 0.000 0.202 157 G C 0.016 174.989 174.900 0.121 0.000 1.186 157 G CA -0.297 44.898 45.100 0.158 0.000 0.783 157 G HN 0.511 nan 8.290 nan 0.000 0.521 158 I N 2.766 123.433 120.570 0.161 0.000 2.395 158 I HA 0.472 4.642 4.170 0.000 0.000 0.289 158 I C -0.057 176.099 176.117 0.065 0.000 1.023 158 I CA 0.008 61.330 61.300 0.036 0.000 1.350 158 I CB 1.562 39.491 38.000 -0.118 0.000 1.409 158 I HN 0.137 nan 8.210 nan 0.000 0.507 159 T N 6.865 121.435 114.554 0.027 0.000 2.812 159 T HA 0.524 4.874 4.350 0.000 0.000 0.282 159 T C -0.071 174.637 174.700 0.013 0.000 0.990 159 T CA -0.440 61.679 62.100 0.032 0.000 0.960 159 T CB 1.269 70.152 68.868 0.026 0.000 0.948 159 T HN 0.252 nan 8.240 nan 0.000 0.438 160 I N 3.421 124.004 120.570 0.022 0.000 2.396 160 I HA 0.187 4.357 4.170 0.000 0.000 0.289 160 I C 0.562 176.682 176.117 0.005 0.000 1.056 160 I CA -0.224 61.082 61.300 0.010 0.000 1.365 160 I CB 0.877 38.890 38.000 0.022 0.000 1.407 160 I HN 0.767 nan 8.210 nan 0.000 0.509 161 D N 3.638 124.034 120.400 -0.007 0.000 2.433 161 D HA -0.005 4.635 4.640 0.000 0.000 0.211 161 D C 0.318 176.609 176.300 -0.014 0.000 1.114 161 D CA -0.209 53.786 54.000 -0.009 0.000 0.837 161 D CB 0.248 41.040 40.800 -0.014 0.000 0.984 161 D HN 0.397 nan 8.370 nan 0.000 0.505 162 E N -0.346 119.844 120.200 -0.017 0.000 2.971 162 E HA -0.255 4.095 4.350 0.000 0.000 0.278 162 E C 0.031 176.610 176.600 -0.035 0.000 1.009 162 E CA 1.331 57.718 56.400 -0.021 0.000 0.862 162 E CB -1.484 28.209 29.700 -0.010 0.000 1.436 162 E HN 0.608 nan 8.360 nan 0.000 0.434 163 D N -0.703 119.671 120.400 -0.044 0.000 3.234 163 D HA 0.053 4.693 4.640 0.000 0.000 0.281 163 D C 1.689 177.942 176.300 -0.078 0.000 1.405 163 D CA 2.047 56.014 54.000 -0.055 0.000 1.115 163 D CB -0.036 40.737 40.800 -0.045 0.000 1.198 163 D HN 0.122 nan 8.370 nan 0.000 0.388 164 T N -1.772 112.738 114.554 -0.073 0.000 2.969 164 T HA 0.361 4.711 4.350 0.000 0.000 0.250 164 T C 0.924 175.572 174.700 -0.088 0.000 1.021 164 T CA -0.180 61.866 62.100 -0.090 0.000 1.003 164 T CB 0.534 69.354 68.868 -0.080 0.000 1.040 164 T HN 0.119 nan 8.240 nan 0.000 0.492 165 I N 3.731 124.261 120.570 -0.068 0.000 2.428 165 I HA 0.461 4.631 4.170 0.000 0.000 0.279 165 I C -0.187 175.903 176.117 -0.045 0.000 1.040 165 I CA -1.177 60.086 61.300 -0.061 0.000 1.171 165 I CB 1.540 39.509 38.000 -0.053 0.000 1.312 165 I HN 0.113 nan 8.210 nan 0.000 0.470 166 V N 2.568 122.453 119.914 -0.049 0.000 3.193 166 V HA 0.797 4.917 4.120 0.000 0.000 0.320 166 V C 0.263 176.356 176.094 -0.003 0.000 1.112 166 V CA -0.375 61.908 62.300 -0.029 0.000 1.026 166 V CB 1.729 33.525 31.823 -0.045 0.000 1.128 166 V HN 0.655 nan 8.190 nan 0.000 0.452 167 S N -0.166 115.542 115.700 0.013 0.000 2.798 167 S HA 0.431 4.901 4.470 0.000 0.000 0.312 167 S C 1.253 175.879 174.600 0.043 0.000 1.122 167 S CA 0.076 58.297 58.200 0.034 0.000 0.949 167 S CB 1.075 64.296 63.200 0.034 0.000 1.235 167 S HN 1.770 nan 8.310 nan 0.000 0.552 168 S N 0.466 116.201 115.700 0.058 0.000 2.387 168 S HA -0.164 4.306 4.470 0.000 0.000 0.230 168 S C 1.705 176.342 174.600 0.063 0.000 1.035 168 S CA 1.918 60.162 58.200 0.072 0.000 1.014 168 S CB -1.747 61.496 63.200 0.071 0.000 0.836 168 S HN 0.789 nan 8.310 nan 0.000 0.466 169 T N 2.140 116.718 114.554 0.040 0.000 2.652 169 T HA -0.000 4.350 4.350 0.000 0.000 0.267 169 T C 2.091 176.812 174.700 0.035 0.000 1.039 169 T CA 1.564 63.682 62.100 0.029 0.000 1.153 169 T CB -1.217 67.658 68.868 0.012 0.000 0.863 169 T HN 0.644 nan 8.240 nan 0.000 0.428 170 G N 0.920 109.734 108.800 0.024 0.000 2.422 170 G HA2 -0.003 3.957 3.960 0.000 0.000 0.218 170 G HA3 -0.003 3.957 3.960 0.000 0.000 0.218 170 G C 1.757 176.670 174.900 0.023 0.000 1.146 170 G CA 0.792 45.898 45.100 0.010 0.000 0.769 170 G HN 0.594 nan 8.290 nan 0.000 0.547 171 A N 0.123 122.973 122.820 0.051 0.000 2.121 171 A HA 0.261 4.582 4.320 0.000 0.000 0.218 171 A C 2.183 179.949 177.584 0.303 0.000 1.154 171 A CA 0.602 52.706 52.037 0.112 0.000 0.679 171 A CB -0.207 18.877 19.000 0.140 0.000 0.795 171 A HN 0.364 nan 8.150 nan 0.000 0.458 172 L N -0.852 120.487 121.223 0.193 0.000 2.558 172 L HA 0.085 4.425 4.340 0.000 0.000 0.225 172 L C 0.716 177.687 176.870 0.168 0.000 1.128 172 L CA 0.470 55.416 54.840 0.177 0.000 0.868 172 L CB 0.306 42.416 42.059 0.085 0.000 1.006 172 L HN 0.234 nan 8.230 nan 0.000 0.454 173 S N -0.306 115.491 115.700 0.161 0.000 3.025 173 S HA 0.308 4.778 4.470 0.000 0.000 0.251 173 S C 0.211 174.866 174.600 0.092 0.000 0.954 173 S CA -0.523 57.748 58.200 0.118 0.000 1.092 173 S CB 0.360 63.592 63.200 0.054 0.000 1.079 173 S HN 0.065 nan 8.310 nan 0.000 0.543 174 L N 1.974 123.258 121.223 0.102 0.000 2.543 174 L HA 0.105 4.445 4.340 0.000 0.000 0.285 174 L C 1.444 178.298 176.870 -0.026 0.000 1.236 174 L CA -0.148 54.635 54.840 -0.096 0.000 0.871 174 L CB 0.385 42.141 42.059 -0.505 0.000 1.121 174 L HN 0.063 nan 8.230 nan 0.000 0.501 175 K N 2.358 122.717 120.400 -0.068 0.000 2.365 175 K HA -0.019 4.301 4.320 0.000 0.000 0.199 175 K C 0.113 176.693 176.600 -0.033 0.000 1.045 175 K CA 0.831 57.098 56.287 -0.034 0.000 0.962 175 K CB -0.227 32.247 32.500 -0.043 0.000 0.759 175 K HN 0.666 nan 8.250 nan 0.000 0.469 176 K N -2.533 117.818 120.400 -0.082 0.000 2.607 176 K HA 0.265 4.585 4.320 0.000 0.000 0.287 176 K C -0.958 175.558 176.600 -0.139 0.000 0.996 176 K CA -0.833 55.418 56.287 -0.061 0.000 0.876 176 K CB 1.158 33.619 32.500 -0.066 0.000 1.496 176 K HN -0.298 nan 8.250 nan 0.000 0.415 177 V N 3.289 123.179 119.914 -0.040 0.000 2.421 177 V HA 0.161 4.281 4.120 0.000 0.000 0.271 177 V C -1.643 174.359 176.094 -0.154 0.000 1.031 177 V CA -0.834 61.439 62.300 -0.046 0.000 1.032 177 V CB -0.074 31.795 31.823 0.077 0.000 1.009 177 V HN 0.721 nan 8.190 nan 0.000 0.477 178 P HA 0.066 nan 4.420 nan 0.000 0.269 178 P C 0.605 177.823 177.300 -0.136 0.000 1.215 178 P CA -0.091 62.874 63.100 -0.224 0.000 0.780 178 P CB 1.404 32.922 31.700 -0.303 0.000 0.898 179 E N 1.701 121.837 120.200 -0.106 0.000 2.046 179 E HA -0.113 4.237 4.350 0.000 0.000 0.190 179 E C 0.423 176.977 176.600 -0.077 0.000 0.982 179 E CA 0.950 57.306 56.400 -0.073 0.000 0.800 179 E CB 0.174 29.838 29.700 -0.060 0.000 0.756 179 E HN 0.351 nan 8.360 nan 0.000 0.449 180 K N 0.272 120.618 120.400 -0.090 0.000 2.378 180 K HA 0.380 4.700 4.320 0.000 0.000 0.252 180 K C -1.433 175.099 176.600 -0.114 0.000 0.931 180 K CA -0.605 55.629 56.287 -0.090 0.000 0.794 180 K CB 1.601 34.059 32.500 -0.070 0.000 1.181 180 K HN 0.036 nan 8.250 nan 0.000 0.425 181 M N 4.330 123.857 119.600 -0.121 0.000 2.457 181 M HA 0.451 4.931 4.480 0.000 0.000 0.300 181 M C -1.817 174.419 176.300 -0.107 0.000 1.141 181 M CA -0.866 54.354 55.300 -0.134 0.000 0.901 181 M CB 2.065 34.562 32.600 -0.171 0.000 1.687 181 M HN 0.401 nan 8.290 nan 0.000 0.449 182 V N 4.538 124.400 119.914 -0.087 0.000 2.540 182 V HA 0.568 4.688 4.120 0.000 0.000 0.302 182 V C -0.902 175.174 176.094 -0.030 0.000 1.035 182 V CA -0.693 61.575 62.300 -0.054 0.000 0.873 182 V CB 2.039 33.832 31.823 -0.050 0.000 0.992 182 V HN 0.686 nan 8.190 nan 0.000 0.428 183 V N 6.216 126.140 119.914 0.017 0.000 2.384 183 V HA 0.480 4.600 4.120 0.000 0.000 0.287 183 V C -0.067 176.077 176.094 0.083 0.000 1.020 183 V CA -0.460 61.878 62.300 0.063 0.000 0.850 183 V CB 1.702 33.606 31.823 0.135 0.000 0.987 183 V HN 0.669 nan 8.190 nan 0.000 0.436 184 I N 4.798 125.409 120.570 0.068 0.000 2.322 184 I HA 0.630 4.800 4.170 0.000 0.000 0.292 184 I C 0.834 177.035 176.117 0.139 0.000 1.060 184 I CA 0.218 61.572 61.300 0.090 0.000 1.309 184 I CB 0.835 38.867 38.000 0.055 0.000 1.415 184 I HN 0.895 nan 8.210 nan 0.000 0.492 185 G N 4.541 113.437 108.800 0.160 0.000 3.444 185 G HA2 0.090 4.050 3.960 0.000 0.000 0.685 185 G HA3 0.090 4.050 3.960 0.000 0.000 0.685 185 G C -0.244 174.762 174.900 0.177 0.000 1.145 185 G CA -0.358 44.839 45.100 0.161 0.000 0.973 185 G HN 0.908 nan 8.290 nan 0.000 0.525 186 A N 1.846 124.761 122.820 0.159 0.000 2.833 186 A HA 0.758 5.078 4.320 0.000 0.000 0.293 186 A C 1.472 179.134 177.584 0.129 0.000 1.338 186 A CA 1.119 53.262 52.037 0.177 0.000 0.959 186 A CB -0.216 18.876 19.000 0.154 0.000 1.094 186 A HN 2.098 nan 8.150 nan 0.000 0.569 187 G N -1.224 107.662 108.800 0.143 0.000 2.553 187 G HA2 0.337 4.297 3.960 0.000 0.000 0.278 187 G HA3 0.337 4.297 3.960 0.000 0.000 0.278 187 G C 1.114 176.133 174.900 0.198 0.000 1.349 187 G CA 0.192 45.383 45.100 0.151 0.000 1.037 187 G HN 0.144 nan 8.290 nan 0.000 0.508 188 V N 0.136 120.176 119.914 0.209 0.000 2.287 188 V HA -0.205 3.915 4.120 0.000 0.000 0.248 188 V C 2.838 179.063 176.094 0.219 0.000 1.053 188 V CA 1.798 64.235 62.300 0.229 0.000 1.027 188 V CB -0.697 31.246 31.823 0.202 0.000 0.646 188 V HN 0.573 nan 8.190 nan 0.000 0.447 189 I N 0.574 121.253 120.570 0.182 0.000 2.226 189 I HA -0.160 4.010 4.170 0.000 0.000 0.245 189 I C 2.536 178.771 176.117 0.197 0.000 1.100 189 I CA 1.703 63.104 61.300 0.169 0.000 1.374 189 I CB -0.820 37.260 38.000 0.132 0.000 1.057 189 I HN 0.412 nan 8.210 nan 0.000 0.413 190 G N 0.141 109.068 108.800 0.211 0.000 2.422 190 G HA2 -0.125 3.835 3.960 0.000 0.000 0.218 190 G HA3 -0.125 3.835 3.960 0.000 0.000 0.218 190 G C 1.673 176.780 174.900 0.346 0.000 1.140 190 G CA 0.635 45.882 45.100 0.246 0.000 0.775 190 G HN 0.241 nan 8.290 nan 0.000 0.545 191 V N 0.640 120.766 119.914 0.352 0.000 2.323 191 V HA -0.122 3.998 4.120 0.000 0.000 0.244 191 V C 2.624 178.999 176.094 0.468 0.000 1.041 191 V CA 1.977 64.544 62.300 0.445 0.000 1.025 191 V CB -0.484 31.562 31.823 0.371 0.000 0.656 191 V HN 0.433 nan 8.190 nan 0.000 0.451 192 E N 0.393 120.799 120.200 0.342 0.000 2.023 192 E HA -0.212 4.138 4.350 0.000 0.000 0.196 192 E C 2.264 178.989 176.600 0.209 0.000 1.003 192 E CA 1.501 58.064 56.400 0.272 0.000 0.809 192 E CB -0.296 29.535 29.700 0.219 0.000 0.755 192 E HN 0.466 nan 8.360 nan 0.000 0.449 193 L N 0.589 121.932 121.223 0.200 0.000 2.042 193 L HA -0.153 4.187 4.340 0.000 0.000 0.210 193 L C 2.621 179.609 176.870 0.196 0.000 1.076 193 L CA 1.249 56.198 54.840 0.182 0.000 0.749 193 L CB -0.853 41.339 42.059 0.221 0.000 0.893 193 L HN 0.264 nan 8.230 nan 0.000 0.432 194 G N -1.119 107.809 108.800 0.214 0.000 2.459 194 G HA2 -0.323 3.637 3.960 0.000 0.000 0.217 194 G HA3 -0.323 3.637 3.960 0.000 0.000 0.217 194 G C 1.809 176.525 174.900 -0.306 0.000 1.183 194 G CA 1.077 46.146 45.100 -0.052 0.000 0.776 194 G HN 0.353 nan 8.290 nan 0.000 0.552 195 S N -0.644 115.079 115.700 0.038 0.000 2.382 195 S HA -0.073 4.397 4.470 0.000 0.000 0.228 195 S C 2.502 177.069 174.600 -0.055 0.000 1.027 195 S CA 1.294 59.517 58.200 0.038 0.000 0.991 195 S CB -0.267 63.114 63.200 0.302 0.000 0.823 195 S HN 0.125 nan 8.310 nan 0.000 0.469 196 V N 0.236 120.095 119.914 -0.091 0.000 2.255 196 V HA -0.196 3.924 4.120 0.000 0.000 0.247 196 V C 1.948 177.806 176.094 -0.393 0.000 1.051 196 V CA 2.111 64.241 62.300 -0.282 0.000 1.018 196 V CB -0.769 30.792 31.823 -0.437 0.000 0.641 196 V HN 0.698 nan 8.190 nan 0.000 0.445 197 W N -0.656 120.576 121.300 -0.114 0.000 2.402 197 W HA -0.138 4.522 4.660 0.000 0.000 0.286 197 W C 2.632 179.045 176.519 -0.176 0.000 1.221 197 W CA 1.054 58.313 57.345 -0.143 0.000 1.257 197 W CB -0.302 29.070 29.460 -0.146 0.000 1.120 197 W HN 0.191 nan 8.180 nan 0.000 0.551 198 Q N 1.429 121.194 119.800 -0.059 0.000 2.050 198 Q HA -0.195 4.145 4.340 0.000 0.000 0.202 198 Q C 2.025 177.970 176.000 -0.091 0.000 0.980 198 Q CA 1.669 57.388 55.803 -0.140 0.000 0.840 198 Q CB -0.362 28.198 28.738 -0.297 0.000 0.898 198 Q HN 0.307 nan 8.270 nan 0.000 0.424 199 R N -0.097 120.340 120.500 -0.105 0.000 2.091 199 R HA -0.066 4.274 4.340 0.000 0.000 0.238 199 R C 2.402 178.702 176.300 0.000 0.000 1.136 199 R CA 1.348 57.393 56.100 -0.092 0.000 0.959 199 R CB -0.303 29.959 30.300 -0.062 0.000 0.856 199 R HN 0.278 nan 8.270 nan 0.000 0.437 200 L N -0.756 120.434 121.223 -0.056 0.000 2.622 200 L HA 0.077 4.417 4.340 0.000 0.000 0.233 200 L C 1.264 178.114 176.870 -0.032 0.000 1.156 200 L CA 0.726 55.503 54.840 -0.105 0.000 0.866 200 L CB 0.078 42.037 42.059 -0.167 0.000 0.980 200 L HN 0.586 nan 8.230 nan 0.000 0.448 201 G N -0.909 107.899 108.800 0.014 0.000 2.296 201 G HA2 -0.145 3.815 3.960 0.000 0.000 0.188 201 G HA3 -0.145 3.815 3.960 0.000 0.000 0.188 201 G C 0.325 175.230 174.900 0.007 0.000 1.000 201 G CA -0.192 44.917 45.100 0.016 0.000 0.672 201 G HN 0.390 nan 8.290 nan 0.000 0.483 202 A N 0.449 123.278 122.820 0.016 0.000 2.371 202 A HA 0.549 4.869 4.320 0.000 0.000 0.257 202 A C 0.013 177.560 177.584 -0.061 0.000 1.089 202 A CA 0.446 52.471 52.037 -0.020 0.000 0.794 202 A CB 0.559 19.555 19.000 -0.007 0.000 1.029 202 A HN 0.345 nan 8.150 nan 0.000 0.488 203 D N 1.736 122.093 120.400 -0.073 0.000 2.339 203 D HA 0.399 5.039 4.640 0.000 0.000 0.241 203 D C -0.807 175.419 176.300 -0.123 0.000 1.183 203 D CA 0.161 54.111 54.000 -0.084 0.000 0.859 203 D CB 0.683 41.446 40.800 -0.061 0.000 1.067 203 D HN 0.116 nan 8.370 nan 0.000 0.484 204 V N 3.504 123.309 119.914 -0.181 0.000 2.604 204 V HA 0.534 4.654 4.120 0.000 0.000 0.305 204 V C 0.271 176.234 176.094 -0.218 0.000 1.043 204 V CA -0.673 61.471 62.300 -0.259 0.000 0.888 204 V CB 2.124 33.657 31.823 -0.483 0.000 0.995 204 V HN 0.577 nan 8.190 nan 0.000 0.429 205 T N 3.366 117.836 114.554 -0.139 0.000 2.928 205 T HA 0.713 5.063 4.350 0.000 0.000 0.296 205 T C -0.360 174.336 174.700 -0.006 0.000 1.000 205 T CA -0.326 61.732 62.100 -0.070 0.000 0.989 205 T CB 1.692 70.534 68.868 -0.043 0.000 1.005 205 T HN 0.971 nan 8.240 nan 0.000 0.442 206 A N 2.806 125.632 122.820 0.011 0.000 2.304 206 A HA 0.757 5.077 4.320 0.000 0.000 0.323 206 A C -0.396 177.275 177.584 0.146 0.000 1.195 206 A CA -0.610 51.502 52.037 0.124 0.000 0.826 206 A CB 0.717 19.854 19.000 0.228 0.000 1.184 206 A HN 0.681 nan 8.150 nan 0.000 0.496 207 V N 2.674 122.669 119.914 0.136 0.000 2.328 207 V HA 0.450 4.570 4.120 0.000 0.000 0.278 207 V C -0.173 176.019 176.094 0.163 0.000 1.021 207 V CA -0.349 62.031 62.300 0.134 0.000 0.838 207 V CB 0.917 32.797 31.823 0.095 0.000 0.999 207 V HN 0.967 nan 8.190 nan 0.000 0.447 208 E N 3.062 123.360 120.200 0.163 0.000 2.210 208 E HA 0.384 4.734 4.350 0.000 0.000 0.266 208 E C 0.072 176.762 176.600 0.150 0.000 0.883 208 E CA -0.668 55.821 56.400 0.150 0.000 0.761 208 E CB 1.435 31.187 29.700 0.087 0.000 1.156 208 E HN 0.384 nan 8.360 nan 0.000 0.412 209 F N 4.344 124.319 119.950 0.041 0.000 2.146 209 F HA 0.099 4.626 4.527 0.000 0.000 0.298 209 F C 0.443 176.253 175.800 0.016 0.000 1.096 209 F CA 1.021 59.043 58.000 0.037 0.000 1.275 209 F CB 0.127 39.154 39.000 0.044 0.000 1.008 209 F HN 0.453 nan 8.300 nan 0.000 0.480 210 L N -0.972 120.274 121.223 0.038 0.000 2.464 210 L HA 0.215 4.555 4.340 0.000 0.000 0.224 210 L C 1.711 178.520 176.870 -0.101 0.000 1.219 210 L CA 0.241 55.048 54.840 -0.053 0.000 0.831 210 L CB -0.369 41.676 42.059 -0.024 0.000 1.284 210 L HN 0.063 nan 8.230 nan 0.000 0.522 211 G N -1.444 107.340 108.800 -0.026 0.000 3.502 211 G HA2 0.182 4.142 3.960 0.000 0.000 0.267 211 G HA3 0.182 4.142 3.960 0.000 0.000 0.267 211 G C -0.035 174.884 174.900 0.032 0.000 1.090 211 G CA 0.026 45.118 45.100 -0.013 0.000 0.795 211 G HN 0.723 nan 8.290 nan 0.000 0.535 212 H N -2.085 116.937 119.070 -0.080 0.000 3.017 212 H HA 0.555 5.111 4.556 0.000 0.000 0.346 212 H C -1.248 174.008 175.328 -0.120 0.000 1.286 212 H CA -0.752 55.226 56.048 -0.116 0.000 1.120 212 H CB 1.211 30.914 29.762 -0.098 0.000 1.860 212 H HN 0.184 nan 8.280 nan 0.000 0.542 213 V N -1.997 117.785 119.914 -0.222 0.000 2.966 213 V HA 0.751 4.871 4.120 0.000 0.000 0.317 213 V C 1.089 177.215 176.094 0.054 0.000 1.070 213 V CA 0.248 62.413 62.300 -0.225 0.000 1.008 213 V CB 0.764 32.308 31.823 -0.465 0.000 1.070 213 V HN 1.533 nan 8.190 nan 0.000 0.457 214 G N 0.140 109.008 108.800 0.112 0.000 2.176 214 G HA2 0.275 4.235 3.960 0.000 0.000 0.232 214 G HA3 0.275 4.235 3.960 0.000 0.000 0.232 214 G C 1.550 176.600 174.900 0.250 0.000 0.986 214 G CA 0.420 45.657 45.100 0.228 0.000 0.643 214 G HN 2.976 nan 8.290 nan 0.000 0.522 215 G N -1.635 107.271 108.800 0.177 0.000 2.593 215 G HA2 0.204 4.164 3.960 0.000 0.000 0.237 215 G HA3 0.204 4.164 3.960 0.000 0.000 0.237 215 G C 0.646 175.735 174.900 0.315 0.000 1.312 215 G CA 1.357 46.584 45.100 0.212 0.000 0.896 215 G HN 2.021 nan 8.290 nan 0.000 0.574 216 V N -1.449 118.614 119.914 0.248 0.000 2.732 216 V HA 0.717 4.837 4.120 0.000 0.000 0.297 216 V C 1.851 178.078 176.094 0.221 0.000 1.060 216 V CA 0.954 63.378 62.300 0.207 0.000 1.038 216 V CB 0.524 32.439 31.823 0.154 0.000 1.003 216 V HN 3.042 nan 8.190 nan 0.000 0.481 217 G N 2.855 111.727 108.800 0.120 0.000 2.234 217 G HA2 -0.290 3.670 3.960 0.000 0.000 0.260 217 G HA3 -0.290 3.670 3.960 0.000 0.000 0.260 217 G C 0.185 175.013 174.900 -0.121 0.000 0.987 217 G CA 0.454 45.630 45.100 0.127 0.000 0.625 217 G HN 1.222 nan 8.290 nan 0.000 0.532 218 I N 1.640 122.019 120.570 -0.320 0.000 2.696 218 I HA 0.391 4.561 4.170 0.000 0.000 0.284 218 I C 0.522 176.229 176.117 -0.684 0.000 1.129 218 I CA -0.268 60.453 61.300 -0.966 0.000 1.410 218 I CB 0.608 38.144 38.000 -0.773 0.000 1.399 218 I HN 0.220 nan 8.210 nan 0.000 0.579 219 D N 6.217 126.145 120.400 -0.786 0.000 2.390 219 D HA 0.018 4.658 4.640 0.000 0.000 0.249 219 D C 1.071 177.100 176.300 -0.451 0.000 1.144 219 D CA -0.235 53.380 54.000 -0.641 0.000 0.880 219 D CB 0.931 41.171 40.800 -0.934 0.000 1.182 219 D HN 0.408 nan 8.370 nan 0.000 0.451 220 M N 2.601 121.982 119.600 -0.365 0.000 2.065 220 M HA -0.160 4.320 4.480 0.000 0.000 0.259 220 M C 1.889 178.075 176.300 -0.189 0.000 1.069 220 M CA 1.618 56.753 55.300 -0.273 0.000 1.110 220 M CB -1.217 31.244 32.600 -0.232 0.000 1.328 220 M HN 0.728 nan 8.290 nan 0.000 0.405 221 E N 0.439 120.532 120.200 -0.178 0.000 2.070 221 E HA -0.219 4.131 4.350 0.000 0.000 0.197 221 E C 1.967 178.506 176.600 -0.102 0.000 1.004 221 E CA 1.375 57.703 56.400 -0.120 0.000 0.805 221 E CB 0.046 29.680 29.700 -0.110 0.000 0.744 221 E HN 0.332 nan 8.360 nan 0.000 0.451 222 I N 0.892 121.371 120.570 -0.152 0.000 2.226 222 I HA -0.229 3.941 4.170 0.000 0.000 0.245 222 I C 2.648 178.734 176.117 -0.050 0.000 1.100 222 I CA 1.262 62.496 61.300 -0.110 0.000 1.374 222 I CB -1.288 36.601 38.000 -0.184 0.000 1.057 222 I HN 0.226 nan 8.210 nan 0.000 0.413 223 S N 0.481 116.124 115.700 -0.094 0.000 2.356 223 S HA -0.229 4.241 4.470 0.000 0.000 0.223 223 S C 2.065 176.686 174.600 0.035 0.000 1.032 223 S CA 1.659 59.863 58.200 0.008 0.000 1.005 223 S CB -0.009 63.171 63.200 -0.034 0.000 0.867 223 S HN 0.248 nan 8.310 nan 0.000 0.449 224 K N 1.431 121.817 120.400 -0.024 0.000 2.026 224 K HA 0.029 4.349 4.320 0.000 0.000 0.208 224 K C 1.912 178.506 176.600 -0.011 0.000 1.048 224 K CA 1.721 57.987 56.287 -0.035 0.000 0.929 224 K CB -0.236 32.238 32.500 -0.043 0.000 0.713 224 K HN 0.304 nan 8.250 nan 0.000 0.439 225 N N -0.265 118.447 118.700 0.020 0.000 2.223 225 N HA -0.152 4.588 4.740 0.000 0.000 0.185 225 N C 1.492 177.069 175.510 0.110 0.000 1.016 225 N CA 0.864 53.943 53.050 0.048 0.000 0.863 225 N CB -0.297 38.219 38.487 0.048 0.000 0.983 225 N HN 0.150 nan 8.380 nan 0.000 0.429 226 F N 2.032 121.950 119.950 -0.053 0.000 2.113 226 F HA -0.080 4.447 4.527 0.000 0.000 0.297 226 F C 2.481 178.238 175.800 -0.071 0.000 1.103 226 F CA 1.322 59.296 58.000 -0.043 0.000 1.248 226 F CB -0.589 38.381 39.000 -0.050 0.000 0.999 226 F HN 0.047 nan 8.300 nan 0.000 0.475 227 Q N 0.328 120.000 119.800 -0.213 0.000 2.096 227 Q HA -0.239 4.101 4.340 0.000 0.000 0.204 227 Q C 2.401 178.286 176.000 -0.192 0.000 0.982 227 Q CA 1.921 57.473 55.803 -0.418 0.000 0.850 227 Q CB -0.138 28.357 28.738 -0.406 0.000 0.901 227 Q HN 0.435 nan 8.270 nan 0.000 0.422 228 R N -0.065 120.385 120.500 -0.083 0.000 2.080 228 R HA -0.141 4.199 4.340 0.000 0.000 0.236 228 R C 2.380 178.684 176.300 0.006 0.000 1.137 228 R CA 1.789 57.880 56.100 -0.016 0.000 0.943 228 R CB -0.408 29.896 30.300 0.007 0.000 0.846 228 R HN 0.346 nan 8.270 nan 0.000 0.431 229 I N 0.877 121.450 120.570 0.007 0.000 2.286 229 I HA -0.282 3.888 4.170 0.000 0.000 0.248 229 I C 2.230 178.366 176.117 0.032 0.000 1.115 229 I CA 1.219 62.545 61.300 0.042 0.000 1.392 229 I CB -0.252 37.802 38.000 0.090 0.000 1.065 229 I HN 0.165 nan 8.210 nan 0.000 0.418 230 L N -0.109 121.075 121.223 -0.065 0.000 2.056 230 L HA -0.220 4.120 4.340 0.000 0.000 0.207 230 L C 2.638 179.595 176.870 0.145 0.000 1.078 230 L CA 1.416 56.258 54.840 0.004 0.000 0.749 230 L CB -0.629 41.318 42.059 -0.185 0.000 0.901 230 L HN 0.311 nan 8.230 nan 0.000 0.433 231 Q N 0.023 119.906 119.800 0.138 0.000 2.096 231 Q HA -0.254 4.086 4.340 0.000 0.000 0.204 231 Q C 2.267 178.334 176.000 0.112 0.000 0.982 231 Q CA 1.548 57.446 55.803 0.158 0.000 0.850 231 Q CB -0.139 28.685 28.738 0.143 0.000 0.901 231 Q HN 0.306 nan 8.270 nan 0.000 0.422 232 K N 0.925 121.379 120.400 0.091 0.000 2.209 232 K HA -0.194 4.126 4.320 0.000 0.000 0.204 232 K C 1.564 178.220 176.600 0.093 0.000 1.048 232 K CA 1.302 57.638 56.287 0.082 0.000 0.940 232 K CB 0.102 32.648 32.500 0.076 0.000 0.729 232 K HN 0.301 nan 8.250 nan 0.000 0.451 233 Q N -1.161 118.704 119.800 0.109 0.000 2.435 233 Q HA 0.011 4.351 4.340 0.000 0.000 0.207 233 Q C 0.853 176.894 176.000 0.068 0.000 0.956 233 Q CA 0.748 56.614 55.803 0.106 0.000 0.917 233 Q CB 0.456 29.274 28.738 0.132 0.000 0.997 233 Q HN 0.666 nan 8.270 nan 0.000 0.497 234 G N 0.145 108.996 108.800 0.085 0.000 2.255 234 G HA2 -0.231 3.729 3.960 0.000 0.000 0.196 234 G HA3 -0.231 3.729 3.960 0.000 0.000 0.196 234 G C -0.301 174.638 174.900 0.065 0.000 0.998 234 G CA -0.591 44.540 45.100 0.052 0.000 0.656 234 G HN 0.269 nan 8.290 nan 0.000 0.490 235 F N 3.768 123.672 119.950 -0.077 0.000 2.502 235 F HA 0.568 5.095 4.527 0.000 0.000 0.371 235 F C 0.806 176.430 175.800 -0.293 0.000 1.083 235 F CA -0.607 57.272 58.000 -0.201 0.000 1.174 235 F CB 0.408 39.307 39.000 -0.169 0.000 1.096 235 F HN 0.030 nan 8.300 nan 0.000 0.545 236 K N 5.693 126.117 120.400 0.039 0.000 2.110 236 K HA 0.531 4.851 4.320 0.000 0.000 0.263 236 K C -1.344 175.054 176.600 -0.336 0.000 0.975 236 K CA -0.475 55.772 56.287 -0.067 0.000 0.895 236 K CB 1.385 33.874 32.500 -0.018 0.000 1.060 236 K HN 0.361 nan 8.250 nan 0.000 0.448 237 F N 0.918 120.905 119.950 0.061 0.000 2.565 237 F HA 0.370 4.897 4.527 0.000 0.000 0.313 237 F C -0.077 175.731 175.800 0.013 0.000 1.091 237 F CA -0.825 57.184 58.000 0.015 0.000 0.915 237 F CB 2.031 40.985 39.000 -0.077 0.000 1.208 237 F HN 0.146 nan 8.300 nan 0.000 0.453 238 K N 4.473 125.001 120.400 0.214 0.000 2.530 238 K HA 0.499 4.819 4.320 0.000 0.000 0.230 238 K C -1.051 175.618 176.600 0.115 0.000 1.002 238 K CA -0.261 56.102 56.287 0.126 0.000 1.014 238 K CB 1.013 33.563 32.500 0.085 0.000 1.286 238 K HN 0.511 nan 8.250 nan 0.000 0.480 239 L N 1.454 122.723 121.223 0.078 0.000 2.454 239 L HA 0.282 4.622 4.340 0.000 0.000 0.256 239 L C 0.746 177.601 176.870 -0.026 0.000 1.136 239 L CA -0.781 54.070 54.840 0.019 0.000 0.804 239 L CB 0.370 42.413 42.059 -0.027 0.000 1.181 239 L HN 0.662 nan 8.230 nan 0.000 0.469 240 N N -0.420 118.224 118.700 -0.094 0.000 2.725 240 N HA -0.149 4.591 4.740 0.000 0.000 0.249 240 N C -0.569 174.858 175.510 -0.140 0.000 1.103 240 N CA 1.007 53.942 53.050 -0.192 0.000 0.707 240 N CB -1.288 37.117 38.487 -0.137 0.000 1.043 240 N HN 0.699 nan 8.380 nan 0.000 0.553 241 T N 0.621 115.153 114.554 -0.036 0.000 2.812 241 T HA 0.317 4.667 4.350 0.000 0.000 0.282 241 T C 0.278 175.102 174.700 0.207 0.000 0.990 241 T CA -0.651 61.486 62.100 0.062 0.000 0.960 241 T CB 2.660 71.571 68.868 0.072 0.000 0.948 241 T HN 0.087 nan 8.240 nan 0.000 0.438 242 K N 3.109 123.669 120.400 0.267 0.000 2.211 242 K HA 0.512 4.832 4.320 0.000 0.000 0.275 242 K C -0.666 176.070 176.600 0.227 0.000 1.024 242 K CA -0.566 55.947 56.287 0.377 0.000 0.887 242 K CB 0.790 33.541 32.500 0.419 0.000 1.084 242 K HN 0.336 nan 8.250 nan 0.000 0.463 243 V N 4.839 124.890 119.914 0.227 0.000 2.455 243 V HA -0.007 4.113 4.120 0.000 0.000 0.273 243 V C 1.474 177.692 176.094 0.207 0.000 1.045 243 V CA 0.051 62.435 62.300 0.140 0.000 0.976 243 V CB 0.938 32.790 31.823 0.048 0.000 0.993 243 V HN 1.084 nan 8.190 nan 0.000 0.475 244 T N 2.066 116.698 114.554 0.130 0.000 2.852 244 T HA 0.354 4.704 4.350 0.000 0.000 0.256 244 T C 0.797 175.587 174.700 0.149 0.000 1.038 244 T CA 0.654 62.848 62.100 0.157 0.000 1.141 244 T CB 0.263 69.188 68.868 0.095 0.000 0.869 244 T HN 1.006 nan 8.240 nan 0.000 0.439 245 G N -0.116 108.688 108.800 0.006 0.000 2.488 245 G HA2 0.639 4.599 3.960 0.000 0.000 0.301 245 G HA3 0.639 4.599 3.960 0.000 0.000 0.301 245 G C -2.045 172.782 174.900 -0.121 0.000 1.339 245 G CA -0.498 44.563 45.100 -0.065 0.000 0.803 245 G HN 0.795 nan 8.290 nan 0.000 0.482 246 A N -0.710 122.039 122.820 -0.118 0.000 2.594 246 A HA 0.972 5.292 4.320 0.000 0.000 0.295 246 A C -0.408 177.137 177.584 -0.065 0.000 1.071 246 A CA 0.162 52.138 52.037 -0.103 0.000 0.685 246 A CB 1.786 20.697 19.000 -0.149 0.000 1.285 246 A HN 2.160 nan 8.150 nan 0.000 0.405 247 T N -0.821 113.702 114.554 -0.051 0.000 2.921 247 T HA 0.583 4.933 4.350 0.000 0.000 0.297 247 T C -0.787 173.890 174.700 -0.038 0.000 1.013 247 T CA -0.723 61.355 62.100 -0.036 0.000 0.990 247 T CB 1.506 70.359 68.868 -0.024 0.000 1.023 247 T HN 0.636 nan 8.240 nan 0.000 0.447 248 K N 3.040 123.419 120.400 -0.035 0.000 2.316 248 K HA 0.242 4.562 4.320 0.000 0.000 0.289 248 K C -0.004 176.579 176.600 -0.029 0.000 1.070 248 K CA -0.431 55.834 56.287 -0.036 0.000 0.928 248 K CB 0.516 32.996 32.500 -0.035 0.000 1.039 248 K HN 0.589 nan 8.250 nan 0.000 0.480 249 K N 1.009 121.391 120.400 -0.030 0.000 2.098 249 K HA 0.052 4.372 4.320 0.000 0.000 0.257 249 K C 1.395 177.981 176.600 -0.024 0.000 0.999 249 K CA -0.252 56.020 56.287 -0.025 0.000 0.924 249 K CB 1.013 33.498 32.500 -0.025 0.000 1.028 249 K HN 0.621 nan 8.250 nan 0.000 0.466 250 S N 0.483 116.171 115.700 -0.020 0.000 2.440 250 S HA -0.176 4.294 4.470 0.000 0.000 0.238 250 S C 1.173 175.760 174.600 -0.021 0.000 1.010 250 S CA 1.584 59.773 58.200 -0.019 0.000 0.972 250 S CB -0.389 62.802 63.200 -0.015 0.000 0.774 250 S HN 0.791 nan 8.310 nan 0.000 0.501 251 D N 0.666 121.052 120.400 -0.022 0.000 2.349 251 D HA 0.194 4.834 4.640 0.000 0.000 0.224 251 D C 1.457 177.740 176.300 -0.029 0.000 1.029 251 D CA 0.697 54.683 54.000 -0.024 0.000 0.879 251 D CB -0.697 40.089 40.800 -0.023 0.000 0.906 251 D HN 0.576 nan 8.370 nan 0.000 0.528 252 G N 0.133 108.914 108.800 -0.031 0.000 2.217 252 G HA2 -0.294 3.666 3.960 0.000 0.000 0.246 252 G HA3 -0.294 3.666 3.960 0.000 0.000 0.246 252 G C 0.353 175.227 174.900 -0.044 0.000 0.990 252 G CA 0.225 45.303 45.100 -0.038 0.000 0.627 252 G HN 0.461 nan 8.290 nan 0.000 0.522 253 K N 0.007 120.382 120.400 -0.042 0.000 2.138 253 K HA 0.638 4.958 4.320 0.000 0.000 0.251 253 K C 0.010 176.582 176.600 -0.047 0.000 1.015 253 K CA -0.194 56.065 56.287 -0.047 0.000 0.917 253 K CB 1.044 33.520 32.500 -0.041 0.000 1.021 253 K HN 0.259 nan 8.250 nan 0.000 0.485 254 I N 1.332 121.869 120.570 -0.054 0.000 2.406 254 I HA 0.119 4.289 4.170 0.000 0.000 0.290 254 I C -0.675 175.411 176.117 -0.053 0.000 0.999 254 I CA -0.688 60.578 61.300 -0.056 0.000 1.124 254 I CB 1.753 39.712 38.000 -0.068 0.000 1.289 254 I HN 0.342 nan 8.210 nan 0.000 0.441 255 D N 5.783 126.154 120.400 -0.047 0.000 2.274 255 D HA 0.376 5.016 4.640 0.000 0.000 0.239 255 D C -0.712 175.557 176.300 -0.051 0.000 1.104 255 D CA -0.029 53.946 54.000 -0.042 0.000 0.840 255 D CB 2.077 42.858 40.800 -0.031 0.000 1.100 255 D HN 0.041 nan 8.370 nan 0.000 0.477 256 V N 2.779 122.662 119.914 -0.051 0.000 2.357 256 V HA 0.334 4.454 4.120 0.000 0.000 0.284 256 V C 0.222 176.294 176.094 -0.037 0.000 1.018 256 V CA -0.817 61.446 62.300 -0.062 0.000 0.841 256 V CB 1.347 33.128 31.823 -0.069 0.000 0.991 256 V HN 0.583 nan 8.190 nan 0.000 0.437 257 S N 6.304 121.986 115.700 -0.030 0.000 2.508 257 S HA 0.874 5.344 4.470 0.000 0.000 0.284 257 S C -0.435 174.173 174.600 0.014 0.000 1.192 257 S CA -0.638 57.559 58.200 -0.004 0.000 1.070 257 S CB 1.570 64.772 63.200 0.003 0.000 1.004 257 S HN 0.755 nan 8.310 nan 0.000 0.493 258 I N -1.414 119.173 120.570 0.028 0.000 3.042 258 I HA 0.783 4.953 4.170 0.000 0.000 0.310 258 I C -0.840 175.311 176.117 0.057 0.000 1.117 258 I CA -1.079 60.252 61.300 0.052 0.000 1.003 258 I CB 2.252 40.282 38.000 0.050 0.000 1.228 258 I HN 0.600 nan 8.210 nan 0.000 0.443 259 E N 1.419 121.665 120.200 0.078 0.000 2.413 259 E HA 0.610 4.960 4.350 0.000 0.000 0.277 259 E C -1.151 175.492 176.600 0.073 0.000 0.958 259 E CA -1.229 55.213 56.400 0.070 0.000 0.779 259 E CB 2.464 32.213 29.700 0.081 0.000 1.278 259 E HN 0.867 nan 8.360 nan 0.000 0.456 260 A N 0.868 123.716 122.820 0.046 0.000 2.445 260 A HA 0.383 4.703 4.320 0.000 0.000 0.242 260 A C 1.148 178.748 177.584 0.027 0.000 1.075 260 A CA 0.773 52.821 52.037 0.019 0.000 0.777 260 A CB 0.406 19.409 19.000 0.005 0.000 1.013 260 A HN 0.769 nan 8.150 nan 0.000 0.493 261 A N 1.781 124.567 122.820 -0.055 0.000 1.917 261 A HA -0.102 4.218 4.320 0.000 0.000 0.219 261 A C 1.954 179.546 177.584 0.013 0.000 1.182 261 A CA 2.245 54.215 52.037 -0.111 0.000 0.633 261 A CB -0.964 17.634 19.000 -0.669 0.000 0.819 261 A HN 1.744 nan 8.150 nan 0.000 0.448 262 S N -0.656 115.027 115.700 -0.028 0.000 2.767 262 S HA 0.459 4.929 4.470 0.000 0.000 0.253 262 S C 0.796 175.414 174.600 0.030 0.000 1.082 262 S CA 0.322 58.528 58.200 0.010 0.000 1.148 262 S CB -1.274 61.917 63.200 -0.014 0.000 0.808 262 S HN 2.017 nan 8.310 nan 0.000 0.466 263 G N -0.369 108.461 108.800 0.050 0.000 2.728 263 G HA2 0.411 4.371 3.960 0.000 0.000 0.686 263 G HA3 0.411 4.371 3.960 0.000 0.000 0.686 263 G C 0.284 175.204 174.900 0.034 0.000 1.337 263 G CA -0.558 44.571 45.100 0.048 0.000 0.861 263 G HN 2.043 nan 8.290 nan 0.000 0.597 264 G N 0.629 109.450 108.800 0.035 0.000 2.660 264 G HA2 0.344 4.304 3.960 0.000 0.000 0.247 264 G HA3 0.344 4.304 3.960 0.000 0.000 0.247 264 G C 0.434 175.351 174.900 0.027 0.000 1.328 264 G CA 0.870 45.986 45.100 0.027 0.000 0.884 264 G HN 2.371 nan 8.290 nan 0.000 0.531 265 K N -1.671 118.741 120.400 0.021 0.000 3.077 265 K HA -0.018 4.302 4.320 0.000 0.000 0.264 265 K C 0.766 177.380 176.600 0.024 0.000 1.008 265 K CA 1.355 57.653 56.287 0.020 0.000 0.740 265 K CB -1.540 30.971 32.500 0.018 0.000 1.273 265 K HN 2.321 nan 8.250 nan 0.000 0.477 266 A N 1.853 124.687 122.820 0.024 0.000 2.537 266 A HA 0.143 4.463 4.320 0.000 0.000 0.260 266 A C 0.050 177.646 177.584 0.020 0.000 1.082 266 A CA 0.573 52.626 52.037 0.026 0.000 0.765 266 A CB 0.108 19.123 19.000 0.024 0.000 1.019 266 A HN 0.500 nan 8.150 nan 0.000 0.507 267 E N 0.881 121.094 120.200 0.021 0.000 2.410 267 E HA 0.692 5.042 4.350 0.000 0.000 0.269 267 E C -1.455 175.152 176.600 0.011 0.000 0.937 267 E CA -0.969 55.440 56.400 0.015 0.000 0.793 267 E CB 2.345 32.054 29.700 0.015 0.000 1.314 267 E HN 0.353 nan 8.360 nan 0.000 0.447 268 V N 1.763 121.679 119.914 0.004 0.000 2.686 268 V HA 0.452 4.572 4.120 0.000 0.000 0.306 268 V C -0.797 175.292 176.094 -0.008 0.000 1.065 268 V CA -0.610 61.688 62.300 -0.003 0.000 0.894 268 V CB 1.647 33.466 31.823 -0.006 0.000 1.004 268 V HN 0.505 nan 8.190 nan 0.000 0.424 269 I N 2.781 123.342 120.570 -0.014 0.000 2.474 269 I HA 0.549 4.719 4.170 0.000 0.000 0.294 269 I C -0.040 176.059 176.117 -0.029 0.000 1.005 269 I CA -0.308 60.980 61.300 -0.019 0.000 1.113 269 I CB 2.420 40.409 38.000 -0.019 0.000 1.289 269 I HN 0.514 nan 8.210 nan 0.000 0.436 270 T N 4.595 119.131 114.554 -0.031 0.000 2.824 270 T HA 0.563 4.913 4.350 0.000 0.000 0.280 270 T C -0.421 174.251 174.700 -0.046 0.000 0.995 270 T CA -0.509 61.568 62.100 -0.038 0.000 1.009 270 T CB 1.173 70.022 68.868 -0.032 0.000 0.955 270 T HN 0.832 nan 8.240 nan 0.000 0.452 271 C N 1.036 120.302 119.300 -0.056 0.000 3.323 271 C HA 0.676 5.136 4.460 0.000 0.000 0.324 271 C C 0.521 175.465 174.990 -0.077 0.000 1.428 271 C CA -0.733 58.244 59.018 -0.069 0.000 1.368 271 C CB 0.845 28.538 27.740 -0.078 0.000 1.731 271 C HN 0.771 nan 8.230 nan 0.000 0.455 272 D N -0.074 120.271 120.400 -0.093 0.000 2.277 272 D HA 0.247 4.887 4.640 0.000 0.000 0.209 272 D C 0.176 176.403 176.300 -0.121 0.000 0.970 272 D CA 0.903 54.843 54.000 -0.101 0.000 0.874 272 D CB 0.393 41.128 40.800 -0.107 0.000 0.982 272 D HN 0.470 nan 8.370 nan 0.000 0.504 273 V N 1.211 121.040 119.914 -0.143 0.000 2.709 273 V HA 0.413 4.533 4.120 0.000 0.000 0.308 273 V C -1.294 174.719 176.094 -0.135 0.000 1.062 273 V CA -0.985 61.219 62.300 -0.160 0.000 0.901 273 V CB 2.534 34.213 31.823 -0.240 0.000 1.003 273 V HN -0.052 nan 8.190 nan 0.000 0.425 274 L N 5.515 126.670 121.223 -0.114 0.000 2.325 274 L HA 0.695 5.035 4.340 0.000 0.000 0.281 274 L C -1.000 175.823 176.870 -0.078 0.000 1.004 274 L CA -0.393 54.390 54.840 -0.094 0.000 0.823 274 L CB 1.496 43.498 42.059 -0.095 0.000 1.236 274 L HN 0.641 nan 8.230 nan 0.000 0.415 275 L N 6.985 128.175 121.223 -0.055 0.000 2.283 275 L HA 0.511 4.851 4.340 0.000 0.000 0.281 275 L C -0.942 175.936 176.870 0.012 0.000 1.033 275 L CA -0.304 54.526 54.840 -0.016 0.000 0.848 275 L CB 1.267 43.331 42.059 0.007 0.000 1.226 275 L HN 0.387 nan 8.230 nan 0.000 0.429 276 V N 4.597 124.520 119.914 0.016 0.000 2.439 276 V HA 0.146 4.266 4.120 0.000 0.000 0.271 276 V C 0.488 176.635 176.094 0.088 0.000 1.040 276 V CA -0.191 62.139 62.300 0.051 0.000 1.002 276 V CB 0.631 32.491 31.823 0.061 0.000 1.000 276 V HN 0.927 nan 8.190 nan 0.000 0.477 277 C N 7.150 126.518 119.300 0.113 0.000 3.471 277 C HA 0.423 4.883 4.460 0.000 0.000 0.191 277 C C 0.948 176.015 174.990 0.129 0.000 1.480 277 C CA -0.568 58.521 59.018 0.118 0.000 1.281 277 C CB -0.823 26.992 27.740 0.124 0.000 1.898 277 C HN 0.886 nan 8.230 nan 0.000 0.533 278 I N 0.720 121.370 120.570 0.133 0.000 3.850 278 I HA 0.589 4.759 4.170 0.000 0.000 0.333 278 I C 0.759 176.925 176.117 0.082 0.000 1.511 278 I CA 0.391 61.762 61.300 0.118 0.000 1.199 278 I CB -0.572 37.507 38.000 0.132 0.000 1.217 278 I HN 0.520 nan 8.210 nan 0.000 0.423 279 G N 1.524 110.374 108.800 0.084 0.000 2.603 279 G HA2 -0.068 3.892 3.960 0.000 0.000 0.686 279 G HA3 -0.068 3.892 3.960 0.000 0.000 0.686 279 G C -0.897 174.040 174.900 0.062 0.000 1.286 279 G CA -1.020 44.122 45.100 0.069 0.000 0.871 279 G HN 0.485 nan 8.290 nan 0.000 0.568 280 R N -0.446 120.086 120.500 0.054 0.000 2.892 280 R HA 0.840 5.180 4.340 0.000 0.000 0.265 280 R C 0.390 176.720 176.300 0.050 0.000 1.025 280 R CA -0.910 55.221 56.100 0.052 0.000 0.982 280 R CB 2.014 32.340 30.300 0.044 0.000 1.185 280 R HN 0.924 nan 8.270 nan 0.000 0.484 281 R N 0.152 120.690 120.500 0.063 0.000 2.740 281 R HA 0.500 4.840 4.340 0.000 0.000 0.273 281 R C -2.915 173.441 176.300 0.093 0.000 0.998 281 R CA -2.176 53.962 56.100 0.064 0.000 0.900 281 R CB 1.786 32.121 30.300 0.060 0.000 1.223 281 R HN 0.320 nan 8.270 nan 0.000 0.466 282 P HA -0.038 nan 4.420 nan 0.000 0.264 282 P C -1.194 176.194 177.300 0.147 0.000 1.193 282 P CA 0.156 63.314 63.100 0.097 0.000 0.763 282 P CB 0.311 32.042 31.700 0.052 0.000 0.810 283 F N 4.286 124.241 119.950 0.010 0.000 2.404 283 F HA 0.359 4.886 4.527 0.000 0.000 0.354 283 F C 0.798 176.608 175.800 0.016 0.000 1.122 283 F CA 0.159 58.168 58.000 0.016 0.000 1.080 283 F CB 1.257 40.263 39.000 0.010 0.000 1.131 283 F HN 0.342 nan 8.300 nan 0.000 0.471 284 T N 0.767 115.049 114.554 -0.452 0.000 3.186 284 T HA 0.217 4.567 4.350 0.000 0.000 0.292 284 T C 0.101 174.575 174.700 -0.378 0.000 0.915 284 T CA -0.540 61.383 62.100 -0.296 0.000 0.902 284 T CB -0.377 68.419 68.868 -0.121 0.000 1.192 284 T HN 0.433 nan 8.240 nan 0.000 0.563 285 K N 3.285 123.273 120.400 -0.686 0.000 2.504 285 K HA 0.048 4.368 4.320 0.000 0.000 0.278 285 K C -0.003 176.555 176.600 -0.070 0.000 1.025 285 K CA 0.181 56.252 56.287 -0.360 0.000 1.093 285 K CB -0.031 32.239 32.500 -0.382 0.000 0.873 285 K HN 0.207 nan 8.250 nan 0.000 0.483 286 N N 1.635 120.317 118.700 -0.031 0.000 2.714 286 N HA -0.217 4.523 4.740 0.000 0.000 0.252 286 N C 0.054 175.641 175.510 0.128 0.000 1.014 286 N CA 0.514 53.581 53.050 0.029 0.000 0.735 286 N CB -0.704 37.762 38.487 -0.035 0.000 0.924 286 N HN 0.451 nan 8.380 nan 0.000 0.540 287 L N -0.804 120.459 121.223 0.067 0.000 2.554 287 L HA 0.296 4.636 4.340 0.000 0.000 0.225 287 L C 1.593 178.491 176.870 0.047 0.000 1.104 287 L CA 1.774 56.659 54.840 0.075 0.000 0.866 287 L CB -0.031 42.043 42.059 0.025 0.000 1.047 287 L HN 0.504 nan 8.230 nan 0.000 0.468 288 G N -1.132 107.683 108.800 0.025 0.000 2.141 288 G HA2 -0.278 3.682 3.960 0.000 0.000 0.231 288 G HA3 -0.278 3.682 3.960 0.000 0.000 0.231 288 G C 0.986 175.887 174.900 0.003 0.000 0.984 288 G CA 0.475 45.583 45.100 0.013 0.000 0.660 288 G HN 0.339 nan 8.290 nan 0.000 0.525 289 L N -0.066 121.155 121.223 -0.003 0.000 2.012 289 L HA -0.052 4.288 4.340 0.000 0.000 0.210 289 L C 2.595 179.458 176.870 -0.011 0.000 1.073 289 L CA 2.270 57.105 54.840 -0.008 0.000 0.748 289 L CB -0.401 41.650 42.059 -0.014 0.000 0.891 289 L HN 0.500 nan 8.230 nan 0.000 0.431 290 E N 0.513 120.704 120.200 -0.015 0.000 2.072 290 E HA -0.233 4.117 4.350 0.000 0.000 0.191 290 E C 1.984 178.577 176.600 -0.012 0.000 0.985 290 E CA 1.213 57.605 56.400 -0.015 0.000 0.801 290 E CB 0.078 29.768 29.700 -0.017 0.000 0.750 290 E HN 0.493 nan 8.360 nan 0.000 0.452 291 E N 0.122 120.316 120.200 -0.010 0.000 2.160 291 E HA -0.204 4.146 4.350 0.000 0.000 0.195 291 E C 1.988 178.584 176.600 -0.007 0.000 0.991 291 E CA 0.835 57.230 56.400 -0.007 0.000 0.810 291 E CB -0.027 29.670 29.700 -0.005 0.000 0.742 291 E HN 0.221 nan 8.360 nan 0.000 0.466 292 L N -0.771 120.448 121.223 -0.007 0.000 2.418 292 L HA 0.146 4.486 4.340 0.000 0.000 0.218 292 L C 1.337 178.201 176.870 -0.011 0.000 1.125 292 L CA 1.536 56.372 54.840 -0.007 0.000 0.835 292 L CB 0.337 42.393 42.059 -0.005 0.000 0.953 292 L HN 0.244 nan 8.230 nan 0.000 0.454 293 G N -0.440 108.353 108.800 -0.012 0.000 2.159 293 G HA2 -0.226 3.734 3.960 0.000 0.000 0.227 293 G HA3 -0.226 3.734 3.960 0.000 0.000 0.227 293 G C 0.308 175.199 174.900 -0.015 0.000 0.986 293 G CA 0.072 45.164 45.100 -0.013 0.000 0.651 293 G HN 0.257 nan 8.290 nan 0.000 0.523 294 I N 1.868 122.429 120.570 -0.015 0.000 2.291 294 I HA 0.268 4.438 4.170 0.000 0.000 0.292 294 I C 0.649 176.757 176.117 -0.014 0.000 1.064 294 I CA -0.335 60.956 61.300 -0.016 0.000 1.269 294 I CB 0.823 38.814 38.000 -0.014 0.000 1.418 294 I HN 0.116 nan 8.210 nan 0.000 0.485 295 E N 6.062 126.254 120.200 -0.014 0.000 2.354 295 E HA 0.394 4.744 4.350 0.000 0.000 0.269 295 E C -0.636 175.957 176.600 -0.012 0.000 1.036 295 E CA -0.466 55.926 56.400 -0.013 0.000 0.876 295 E CB 1.368 31.060 29.700 -0.013 0.000 1.009 295 E HN 0.461 nan 8.360 nan 0.000 0.416 296 L N 2.277 123.493 121.223 -0.012 0.000 2.387 296 L HA 0.230 4.570 4.340 0.000 0.000 0.266 296 L C 0.400 177.264 176.870 -0.009 0.000 1.059 296 L CA -0.922 53.912 54.840 -0.010 0.000 0.801 296 L CB 0.736 42.786 42.059 -0.014 0.000 1.223 296 L HN 0.625 nan 8.230 nan 0.000 0.456 297 D N 0.583 120.979 120.400 -0.006 0.000 2.433 297 D HA 0.140 4.780 4.640 0.000 0.000 0.255 297 D C -1.833 174.463 176.300 -0.008 0.000 1.226 297 D CA -1.709 52.287 54.000 -0.006 0.000 1.015 297 D CB -0.132 40.666 40.800 -0.004 0.000 1.091 297 D HN 0.225 nan 8.370 nan 0.000 0.527 298 P HA -0.151 nan 4.420 nan 0.000 0.218 298 P C 0.774 178.068 177.300 -0.010 0.000 1.148 298 P CA 1.144 64.238 63.100 -0.010 0.000 0.822 298 P CB 0.163 31.857 31.700 -0.009 0.000 0.784 299 R N -1.064 119.431 120.500 -0.007 0.000 2.320 299 R HA 0.277 4.617 4.340 0.000 0.000 0.211 299 R C 1.266 177.565 176.300 -0.002 0.000 0.931 299 R CA 0.574 56.671 56.100 -0.005 0.000 1.071 299 R CB -0.396 29.902 30.300 -0.004 0.000 1.025 299 R HN 0.208 nan 8.270 nan 0.000 0.495 300 G N 1.418 110.215 108.800 -0.005 0.000 2.136 300 G HA2 -0.318 3.642 3.960 0.000 0.000 0.242 300 G HA3 -0.318 3.642 3.960 0.000 0.000 0.242 300 G C -0.120 174.781 174.900 0.001 0.000 0.989 300 G CA -0.186 44.911 45.100 -0.005 0.000 0.682 300 G HN 0.273 nan 8.290 nan 0.000 0.522 301 R N -0.712 119.790 120.500 0.004 0.000 2.536 301 R HA 0.666 5.006 4.340 0.000 0.000 0.279 301 R C 0.528 176.835 176.300 0.012 0.000 1.001 301 R CA -0.881 55.226 56.100 0.011 0.000 1.027 301 R CB 1.171 31.477 30.300 0.010 0.000 1.096 301 R HN 0.237 nan 8.270 nan 0.000 0.502 302 I N 3.565 124.149 120.570 0.024 0.000 2.379 302 I HA 0.165 4.335 4.170 0.000 0.000 0.290 302 I C -1.996 174.140 176.117 0.032 0.000 1.063 302 I CA -2.041 59.274 61.300 0.025 0.000 1.351 302 I CB 1.029 39.052 38.000 0.038 0.000 1.410 302 I HN 0.200 nan 8.210 nan 0.000 0.505 303 P HA 0.146 nan 4.420 nan 0.000 0.276 303 P C -0.845 176.463 177.300 0.012 0.000 1.235 303 P CA -0.100 63.007 63.100 0.011 0.000 0.772 303 P CB 0.870 32.569 31.700 -0.003 0.000 0.871 304 V N 0.306 120.229 119.914 0.014 0.000 3.078 304 V HA 0.692 4.812 4.120 0.000 0.000 0.311 304 V C -0.329 175.725 176.094 -0.067 0.000 1.138 304 V CA -1.137 61.164 62.300 0.001 0.000 1.007 304 V CB 2.110 33.992 31.823 0.098 0.000 1.045 304 V HN 0.500 nan 8.190 nan 0.000 0.432 305 N N 0.235 118.876 118.700 -0.097 0.000 2.514 305 N HA 0.283 5.023 4.740 0.000 0.000 0.299 305 N C 1.162 176.514 175.510 -0.262 0.000 1.292 305 N CA 0.240 53.213 53.050 -0.129 0.000 0.963 305 N CB -0.318 38.119 38.487 -0.083 0.000 1.124 305 N HN 0.951 nan 8.380 nan 0.000 0.580 306 T N -3.306 111.121 114.554 -0.211 0.000 2.977 306 T HA -0.031 4.319 4.350 0.000 0.000 0.271 306 T C 1.091 175.611 174.700 -0.300 0.000 1.105 306 T CA 0.840 62.771 62.100 -0.282 0.000 1.116 306 T CB -0.301 68.499 68.868 -0.113 0.000 0.878 306 T HN 0.498 nan 8.240 nan 0.000 0.509 307 R N -0.392 120.031 120.500 -0.128 0.000 2.362 307 R HA 0.379 4.719 4.340 0.000 0.000 0.227 307 R C -0.239 176.268 176.300 0.345 0.000 0.905 307 R CA -0.226 55.941 56.100 0.111 0.000 1.067 307 R CB -0.147 30.261 30.300 0.180 0.000 1.078 307 R HN 0.344 nan 8.270 nan 0.000 0.516 308 F N 0.336 120.392 119.950 0.176 0.000 2.965 308 F HA -0.262 4.265 4.527 0.000 0.000 0.287 308 F C -0.094 175.812 175.800 0.178 0.000 0.790 308 F CA 0.497 58.617 58.000 0.200 0.000 1.279 308 F CB -2.061 37.074 39.000 0.226 0.000 1.409 308 F HN 0.144 nan 8.300 nan 0.000 0.446 309 Q N 0.288 120.111 119.800 0.039 0.000 2.261 309 Q HA 0.488 4.828 4.340 0.000 0.000 0.252 309 Q C 0.997 176.901 176.000 -0.161 0.000 0.915 309 Q CA 0.169 55.779 55.803 -0.322 0.000 0.915 309 Q CB 1.588 30.126 28.738 -0.333 0.000 1.204 309 Q HN 0.385 nan 8.270 nan 0.000 0.421 310 T N -1.334 113.111 114.554 -0.181 0.000 2.833 310 T HA 0.173 4.523 4.350 0.000 0.000 0.312 310 T C 1.009 175.651 174.700 -0.097 0.000 1.085 310 T CA -0.453 61.593 62.100 -0.090 0.000 0.955 310 T CB 0.523 69.352 68.868 -0.066 0.000 1.353 310 T HN 0.510 nan 8.240 nan 0.000 0.544 311 K N -0.481 119.880 120.400 -0.064 0.000 2.209 311 K HA 0.094 4.414 4.320 0.000 0.000 0.204 311 K C 0.385 176.943 176.600 -0.069 0.000 1.048 311 K CA 0.915 57.168 56.287 -0.057 0.000 0.940 311 K CB -0.380 32.097 32.500 -0.038 0.000 0.729 311 K HN 0.526 nan 8.250 nan 0.000 0.451 312 I N 1.831 122.352 120.570 -0.082 0.000 2.297 312 I HA 0.070 4.240 4.170 0.000 0.000 0.291 312 I C -1.849 174.181 176.117 -0.146 0.000 1.033 312 I CA -2.264 58.984 61.300 -0.087 0.000 1.253 312 I CB 1.398 39.360 38.000 -0.064 0.000 1.396 312 I HN -0.146 nan 8.210 nan 0.000 0.476 313 P HA -0.248 nan 4.420 nan 0.000 0.219 313 P C 0.864 178.011 177.300 -0.255 0.000 1.158 313 P CA 1.527 64.520 63.100 -0.178 0.000 0.895 313 P CB -0.065 31.584 31.700 -0.085 0.000 0.792 314 N N -0.926 117.692 118.700 -0.137 0.000 2.383 314 N HA 0.002 4.742 4.740 0.000 0.000 0.192 314 N C 0.031 175.527 175.510 -0.023 0.000 1.141 314 N CA 0.293 53.322 53.050 -0.033 0.000 0.851 314 N CB -0.144 38.352 38.487 0.015 0.000 0.976 314 N HN 0.214 nan 8.380 nan 0.000 0.465 315 I N 1.253 121.705 120.570 -0.197 0.000 2.406 315 I HA 0.324 4.494 4.170 0.000 0.000 0.290 315 I C -0.982 174.999 176.117 -0.226 0.000 0.999 315 I CA -0.904 60.346 61.300 -0.084 0.000 1.124 315 I CB 0.986 38.956 38.000 -0.049 0.000 1.289 315 I HN -0.168 nan 8.210 nan 0.000 0.441 316 Y N 4.098 124.410 120.300 0.019 0.000 2.598 316 Y HA 0.829 5.379 4.550 0.000 0.000 0.340 316 Y C 0.163 176.093 175.900 0.050 0.000 1.038 316 Y CA -1.129 57.005 58.100 0.056 0.000 1.100 316 Y CB 1.893 40.392 38.460 0.064 0.000 1.281 316 Y HN 0.543 nan 8.280 nan 0.000 0.488 317 A N 1.912 124.885 122.820 0.256 0.000 2.486 317 A HA 0.903 5.223 4.320 0.000 0.000 0.300 317 A C -1.240 176.438 177.584 0.157 0.000 1.048 317 A CA -0.615 51.517 52.037 0.158 0.000 0.696 317 A CB 1.067 20.140 19.000 0.122 0.000 1.278 317 A HN 0.791 nan 8.150 nan 0.000 0.405 318 I N -1.417 119.174 120.570 0.036 0.000 3.102 318 I HA 0.940 5.110 4.170 0.000 0.000 0.310 318 I C 0.385 176.474 176.117 -0.047 0.000 1.246 318 I CA -0.227 61.023 61.300 -0.084 0.000 0.979 318 I CB 1.972 39.808 38.000 -0.273 0.000 1.267 318 I HN 2.061 nan 8.210 nan 0.000 0.451 319 G N 2.711 111.473 108.800 -0.063 0.000 2.508 319 G HA2 -0.221 3.739 3.960 0.000 0.000 0.220 319 G HA3 -0.221 3.739 3.960 0.000 0.000 0.220 319 G C -0.109 174.781 174.900 -0.016 0.000 1.287 319 G CA 0.536 45.609 45.100 -0.044 0.000 0.916 319 G HN 0.828 nan 8.290 nan 0.000 0.574 320 D N -0.536 119.857 120.400 -0.012 0.000 2.309 320 D HA 0.058 4.698 4.640 0.000 0.000 0.212 320 D C 2.349 178.662 176.300 0.022 0.000 0.968 320 D CA 1.182 55.182 54.000 -0.000 0.000 0.882 320 D CB 0.125 40.928 40.800 0.007 0.000 0.918 320 D HN 0.448 nan 8.370 nan 0.000 0.503 321 V N 0.126 120.061 119.914 0.035 0.000 3.217 321 V HA -0.018 4.102 4.120 0.000 0.000 0.264 321 V C 0.893 177.014 176.094 0.044 0.000 1.135 321 V CA 0.583 62.912 62.300 0.049 0.000 1.142 321 V CB 0.085 31.944 31.823 0.059 0.000 0.754 321 V HN 0.039 nan 8.190 nan 0.000 0.484 322 V N -2.162 117.780 119.914 0.046 0.000 3.229 322 V HA 0.934 5.054 4.120 0.000 0.000 0.310 322 V C 0.312 176.415 176.094 0.015 0.000 1.206 322 V CA -0.653 61.683 62.300 0.060 0.000 1.051 322 V CB 1.017 32.924 31.823 0.141 0.000 1.183 322 V HN 0.156 nan 8.190 nan 0.000 0.466 323 A N -0.484 122.336 122.820 0.000 0.000 2.296 323 A HA 0.831 5.151 4.320 0.000 0.000 0.264 323 A C 0.807 178.253 177.584 -0.230 0.000 1.097 323 A CA 0.410 52.398 52.037 -0.082 0.000 0.811 323 A CB -0.336 18.623 19.000 -0.068 0.000 1.072 323 A HN 2.964 nan 8.150 nan 0.000 0.495 324 G N -0.868 107.721 108.800 -0.352 0.000 2.541 324 G HA2 0.163 4.123 3.960 0.000 0.000 0.686 324 G HA3 0.163 4.123 3.960 0.000 0.000 0.686 324 G C -3.228 171.482 174.900 -0.317 0.000 1.286 324 G CA -0.541 44.170 45.100 -0.649 0.000 0.894 324 G HN 0.788 nan 8.290 nan 0.000 0.575 325 P HA 0.355 nan 4.420 nan 0.000 0.268 325 P C 0.404 177.637 177.300 -0.111 0.000 1.204 325 P CA 0.139 63.170 63.100 -0.115 0.000 0.768 325 P CB 0.339 31.997 31.700 -0.070 0.000 0.842 326 M N 3.548 123.106 119.600 -0.071 0.000 3.586 326 M HA 0.183 4.663 4.480 0.000 0.000 0.225 326 M C -0.426 175.832 176.300 -0.069 0.000 1.428 326 M CA 0.374 55.639 55.300 -0.058 0.000 1.613 326 M CB -0.665 31.922 32.600 -0.022 0.000 1.063 326 M HN 0.182 nan 8.290 nan 0.000 0.593 327 L N -0.643 120.496 121.223 -0.139 0.000 2.333 327 L HA 0.627 4.967 4.340 0.000 0.000 0.269 327 L C 1.176 177.900 176.870 -0.244 0.000 1.010 327 L CA -0.614 54.098 54.840 -0.213 0.000 0.818 327 L CB 1.743 43.563 42.059 -0.398 0.000 1.306 327 L HN 0.451 nan 8.230 nan 0.000 0.430 328 A N 0.713 123.443 122.820 -0.151 0.000 1.873 328 A HA -0.182 4.138 4.320 0.000 0.000 0.215 328 A C 2.011 179.542 177.584 -0.089 0.000 1.186 328 A CA 1.634 53.631 52.037 -0.068 0.000 0.616 328 A CB -0.826 18.196 19.000 0.037 0.000 0.823 328 A HN 0.946 nan 8.150 nan 0.000 0.442 329 H N -0.858 118.202 119.070 -0.016 0.000 2.457 329 H HA -0.041 4.515 4.556 0.000 0.000 0.294 329 H C 1.716 177.029 175.328 -0.025 0.000 1.064 329 H CA 1.387 57.420 56.048 -0.026 0.000 1.330 329 H CB -0.363 29.385 29.762 -0.023 0.000 1.395 329 H HN 0.435 nan 8.280 nan 0.000 0.541 330 K N 1.894 122.066 120.400 -0.380 0.000 2.057 330 K HA -0.018 4.302 4.320 0.000 0.000 0.206 330 K C 2.311 178.858 176.600 -0.090 0.000 1.050 330 K CA 1.238 57.424 56.287 -0.167 0.000 0.935 330 K CB -0.341 32.049 32.500 -0.183 0.000 0.715 330 K HN 0.303 nan 8.250 nan 0.000 0.439 331 A N 1.569 124.317 122.820 -0.120 0.000 1.902 331 A HA -0.164 4.156 4.320 0.000 0.000 0.217 331 A C 2.017 179.520 177.584 -0.135 0.000 1.181 331 A CA 1.644 53.613 52.037 -0.112 0.000 0.623 331 A CB -0.426 18.518 19.000 -0.094 0.000 0.818 331 A HN 0.516 nan 8.150 nan 0.000 0.443 332 E N -0.171 119.958 120.200 -0.117 0.000 2.031 332 E HA -0.220 4.130 4.350 0.000 0.000 0.193 332 E C 1.684 178.208 176.600 -0.127 0.000 0.994 332 E CA 1.420 57.739 56.400 -0.136 0.000 0.800 332 E CB -0.309 29.330 29.700 -0.101 0.000 0.752 332 E HN 0.581 nan 8.360 nan 0.000 0.447 333 D N 0.668 121.018 120.400 -0.084 0.000 2.123 333 D HA -0.163 4.477 4.640 0.000 0.000 0.196 333 D C 1.739 177.961 176.300 -0.130 0.000 0.992 333 D CA 1.133 55.087 54.000 -0.076 0.000 0.833 333 D CB -0.103 40.678 40.800 -0.033 0.000 0.954 333 D HN 0.202 nan 8.370 nan 0.000 0.455 334 E N -0.191 119.895 120.200 -0.190 0.000 2.110 334 E HA -0.111 4.239 4.350 0.000 0.000 0.193 334 E C 2.197 178.514 176.600 -0.472 0.000 0.988 334 E CA 0.981 57.118 56.400 -0.439 0.000 0.804 334 E CB -0.208 29.154 29.700 -0.564 0.000 0.745 334 E HN 0.341 nan 8.360 nan 0.000 0.458 335 G N 1.321 109.938 108.800 -0.305 0.000 2.433 335 G HA2 -0.238 3.722 3.960 0.000 0.000 0.216 335 G HA3 -0.238 3.722 3.960 0.000 0.000 0.216 335 G C 1.590 176.378 174.900 -0.187 0.000 1.186 335 G CA 0.583 45.535 45.100 -0.246 0.000 0.779 335 G HN 0.104 nan 8.290 nan 0.000 0.543 336 I N 1.726 122.208 120.570 -0.147 0.000 2.099 336 I HA -0.212 3.958 4.170 0.000 0.000 0.239 336 I C 2.817 178.893 176.117 -0.069 0.000 1.066 336 I CA 1.639 62.883 61.300 -0.092 0.000 1.324 336 I CB -0.330 37.626 38.000 -0.074 0.000 1.037 336 I HN 0.336 nan 8.210 nan 0.000 0.401 337 I N -1.258 119.273 120.570 -0.065 0.000 2.454 337 I HA -0.280 3.890 4.170 0.000 0.000 0.254 337 I C 2.798 178.925 176.117 0.017 0.000 1.156 337 I CA 1.353 62.653 61.300 0.000 0.000 1.433 337 I CB -0.951 37.083 38.000 0.057 0.000 1.082 337 I HN 0.376 nan 8.210 nan 0.000 0.432 338 C N 1.944 121.197 119.300 -0.077 0.000 2.429 338 C HA -0.084 4.376 4.460 0.000 0.000 0.277 338 C C 2.945 177.840 174.990 -0.158 0.000 1.262 338 C CA 1.309 60.281 59.018 -0.077 0.000 1.733 338 C CB -1.039 26.558 27.740 -0.238 0.000 2.010 338 C HN 0.609 nan 8.230 nan 0.000 0.483 339 V N -0.671 119.164 119.914 -0.132 0.000 2.719 339 V HA -0.038 4.082 4.120 0.000 0.000 0.252 339 V C 2.166 178.301 176.094 0.069 0.000 1.065 339 V CA 2.099 64.361 62.300 -0.064 0.000 1.086 339 V CB -1.080 30.743 31.823 -0.001 0.000 0.700 339 V HN 0.599 nan 8.190 nan 0.000 0.467 340 E N 1.630 121.851 120.200 0.034 0.000 2.106 340 E HA -0.055 4.295 4.350 0.000 0.000 0.192 340 E C 2.283 178.922 176.600 0.065 0.000 0.984 340 E CA 1.224 57.653 56.400 0.048 0.000 0.806 340 E CB -0.467 29.248 29.700 0.026 0.000 0.750 340 E HN 0.719 nan 8.360 nan 0.000 0.458 341 G N 0.818 109.653 108.800 0.058 0.000 2.443 341 G HA2 -0.212 3.748 3.960 0.000 0.000 0.219 341 G HA3 -0.212 3.748 3.960 0.000 0.000 0.219 341 G C 1.528 176.478 174.900 0.083 0.000 1.131 341 G CA 0.298 45.445 45.100 0.079 0.000 0.775 341 G HN 0.081 nan 8.290 nan 0.000 0.547 342 M N 0.779 120.404 119.600 0.043 0.000 2.132 342 M HA 0.053 4.533 4.480 0.000 0.000 0.263 342 M C 2.716 179.176 176.300 0.268 0.000 1.065 342 M CA 1.279 56.618 55.300 0.065 0.000 1.122 342 M CB -0.018 32.496 32.600 -0.142 0.000 1.365 342 M HN 0.266 nan 8.290 nan 0.000 0.411 343 A N -0.176 122.828 122.820 0.307 0.000 2.252 343 A HA 0.350 4.670 4.320 0.000 0.000 0.207 343 A C 1.499 179.137 177.584 0.090 0.000 1.194 343 A CA 0.792 52.940 52.037 0.184 0.000 0.809 343 A CB -0.979 18.015 19.000 -0.010 0.000 0.814 343 A HN 0.698 nan 8.150 nan 0.000 0.482 344 G N -2.125 106.735 108.800 0.100 0.000 2.141 344 G HA2 -0.020 3.940 3.960 0.000 0.000 0.231 344 G HA3 -0.020 3.940 3.960 0.000 0.000 0.231 344 G C 0.668 175.599 174.900 0.052 0.000 0.984 344 G CA 0.213 45.355 45.100 0.070 0.000 0.660 344 G HN 1.318 nan 8.290 nan 0.000 0.525 345 G N -0.308 108.524 108.800 0.053 0.000 2.588 345 G HA2 0.778 4.738 3.960 0.000 0.000 0.281 345 G HA3 0.778 4.738 3.960 0.000 0.000 0.281 345 G C 0.622 175.554 174.900 0.053 0.000 1.236 345 G CA 0.387 45.512 45.100 0.043 0.000 0.969 345 G HN 1.497 nan 8.290 nan 0.000 0.504 346 A N -1.387 121.461 122.820 0.047 0.000 2.332 346 A HA 0.565 4.885 4.320 0.000 0.000 0.258 346 A C -0.371 177.261 177.584 0.081 0.000 1.087 346 A CA -0.214 51.856 52.037 0.054 0.000 0.802 346 A CB 0.850 19.873 19.000 0.037 0.000 1.042 346 A HN 0.997 nan 8.150 nan 0.000 0.489 347 V N 2.306 122.281 119.914 0.102 0.000 2.419 347 V HA 0.455 4.575 4.120 0.000 0.000 0.287 347 V C -0.888 175.302 176.094 0.161 0.000 1.017 347 V CA -0.181 62.200 62.300 0.135 0.000 0.844 347 V CB 0.909 32.823 31.823 0.151 0.000 1.011 347 V HN 1.033 nan 8.190 nan 0.000 0.429 348 H N 3.971 123.059 119.070 0.030 0.000 2.966 348 H HA 0.748 5.304 4.556 0.000 0.000 0.347 348 H C -1.722 173.583 175.328 -0.038 0.000 1.048 348 H CA -0.365 55.673 56.048 -0.017 0.000 1.295 348 H CB 1.702 31.446 29.762 -0.031 0.000 1.744 348 H HN 0.679 nan 8.280 nan 0.000 0.513 349 I N 3.719 123.855 120.570 -0.724 0.000 2.619 349 I HA 0.292 4.462 4.170 0.000 0.000 0.292 349 I C -1.500 174.126 176.117 -0.818 0.000 1.100 349 I CA -0.703 60.238 61.300 -0.598 0.000 1.043 349 I CB 1.783 39.559 38.000 -0.372 0.000 1.239 349 I HN 0.649 nan 8.210 nan 0.000 0.420 350 D N 5.746 125.819 120.400 -0.545 0.000 2.441 350 D HA 0.243 4.883 4.640 0.000 0.000 0.231 350 D C 0.193 176.336 176.300 -0.261 0.000 1.073 350 D CA -0.134 53.644 54.000 -0.370 0.000 0.850 350 D CB 0.731 41.452 40.800 -0.131 0.000 1.062 350 D HN 0.374 nan 8.370 nan 0.000 0.524 351 Y N 2.216 122.499 120.300 -0.028 0.000 2.465 351 Y HA -0.133 4.417 4.550 0.000 0.000 0.289 351 Y C 2.108 178.016 175.900 0.014 0.000 1.150 351 Y CA 0.810 58.909 58.100 -0.002 0.000 1.293 351 Y CB -0.584 37.880 38.460 0.008 0.000 0.977 351 Y HN 0.437 nan 8.280 nan 0.000 0.556 352 N N -0.578 118.197 118.700 0.125 0.000 2.381 352 N HA -0.131 4.609 4.740 0.000 0.000 0.182 352 N C 0.919 176.472 175.510 0.070 0.000 1.025 352 N CA 1.317 54.428 53.050 0.101 0.000 0.888 352 N CB -0.306 38.227 38.487 0.077 0.000 0.965 352 N HN 0.223 nan 8.380 nan 0.000 0.438 353 C N 0.126 119.449 119.300 0.039 0.000 2.754 353 C HA 0.381 4.841 4.460 0.000 0.000 0.276 353 C C 0.232 175.237 174.990 0.024 0.000 1.264 353 C CA -0.742 58.287 59.018 0.018 0.000 1.700 353 C CB -1.108 26.625 27.740 -0.011 0.000 1.885 353 C HN 0.088 nan 8.230 nan 0.000 0.607 354 V N 4.593 124.543 119.914 0.061 0.000 2.406 354 V HA 0.274 4.394 4.120 0.000 0.000 0.272 354 V C -1.667 174.453 176.094 0.044 0.000 1.043 354 V CA -0.906 61.449 62.300 0.091 0.000 0.915 354 V CB 0.951 32.858 31.823 0.139 0.000 0.988 354 V HN 0.279 nan 8.190 nan 0.000 0.466 355 P HA 0.446 nan 4.420 nan 0.000 0.278 355 P C -0.803 176.385 177.300 -0.187 0.000 1.266 355 P CA -0.541 62.468 63.100 -0.152 0.000 0.807 355 P CB 1.345 32.919 31.700 -0.209 0.000 1.094 356 S N -0.638 114.708 115.700 -0.589 0.000 2.538 356 S HA 0.570 5.040 4.470 0.000 0.000 0.288 356 S C -0.668 173.449 174.600 -0.806 0.000 1.108 356 S CA -0.565 57.189 58.200 -0.743 0.000 0.971 356 S CB 1.449 63.849 63.200 -1.333 0.000 1.041 356 S HN 0.249 nan 8.310 nan 0.000 0.483 357 V N 3.207 122.817 119.914 -0.507 0.000 2.760 357 V HA 0.540 4.660 4.120 0.000 0.000 0.309 357 V C -0.953 174.924 176.094 -0.361 0.000 1.077 357 V CA -0.618 61.370 62.300 -0.519 0.000 0.910 357 V CB 1.872 33.255 31.823 -0.734 0.000 1.008 357 V HN 0.846 nan 8.190 nan 0.000 0.424 358 I N 4.045 124.431 120.570 -0.306 0.000 2.354 358 I HA 0.331 4.501 4.170 0.000 0.000 0.286 358 I C -0.555 175.480 176.117 -0.137 0.000 1.007 358 I CA -0.449 60.807 61.300 -0.073 0.000 1.167 358 I CB 1.419 39.403 38.000 -0.028 0.000 1.320 358 I HN 0.644 nan 8.210 nan 0.000 0.458 359 Y N 4.154 124.470 120.300 0.027 0.000 2.581 359 Y HA 0.019 4.569 4.550 0.000 0.000 0.346 359 Y C 1.744 177.680 175.900 0.059 0.000 1.147 359 Y CA -0.477 57.633 58.100 0.017 0.000 1.353 359 Y CB -0.782 37.679 38.460 0.002 0.000 1.187 359 Y HN 0.544 nan 8.280 nan 0.000 0.505 360 T N -2.887 111.799 114.554 0.219 0.000 2.801 360 T HA 0.164 4.514 4.350 0.000 0.000 0.324 360 T C -0.534 174.282 174.700 0.192 0.000 1.088 360 T CA -0.438 61.821 62.100 0.264 0.000 0.975 360 T CB 0.759 69.883 68.868 0.428 0.000 1.316 360 T HN 0.375 nan 8.240 nan 0.000 0.533 361 H N 1.150 120.296 119.070 0.126 0.000 3.239 361 H HA 0.397 4.953 4.556 0.000 0.000 0.320 361 H C -2.749 172.662 175.328 0.138 0.000 1.074 361 H CA -1.559 54.501 56.048 0.021 0.000 1.553 361 H CB 1.215 30.874 29.762 -0.173 0.000 1.752 361 H HN 0.473 nan 8.280 nan 0.000 0.513 362 P HA -0.012 nan 4.420 nan 0.000 0.267 362 P C -0.356 176.924 177.300 -0.033 0.000 1.200 362 P CA 0.042 63.056 63.100 -0.143 0.000 0.772 362 P CB 1.477 33.177 31.700 0.001 0.000 0.855 363 E N 0.217 120.302 120.200 -0.192 0.000 2.349 363 E HA 0.373 4.723 4.350 0.000 0.000 0.262 363 E C -0.568 175.916 176.600 -0.194 0.000 1.088 363 E CA -0.825 55.472 56.400 -0.172 0.000 0.899 363 E CB 1.008 30.573 29.700 -0.224 0.000 1.044 363 E HN 0.201 nan 8.360 nan 0.000 0.420 364 V N 0.839 120.605 119.914 -0.245 0.000 2.709 364 V HA 0.784 4.904 4.120 0.000 0.000 0.308 364 V C -0.701 175.347 176.094 -0.076 0.000 1.062 364 V CA -0.738 61.445 62.300 -0.195 0.000 0.901 364 V CB 1.621 33.185 31.823 -0.433 0.000 1.003 364 V HN 0.778 nan 8.190 nan 0.000 0.425 365 A N 3.736 126.607 122.820 0.085 0.000 2.589 365 A HA 0.977 5.297 4.320 0.000 0.000 0.296 365 A C -1.724 176.009 177.584 0.250 0.000 1.062 365 A CA -0.595 51.440 52.037 -0.003 0.000 0.686 365 A CB 1.635 20.532 19.000 -0.172 0.000 1.282 365 A HN 1.708 nan 8.150 nan 0.000 0.404 366 W N -0.018 121.214 121.300 -0.113 0.000 3.066 366 W HA 0.756 5.416 4.660 0.000 0.000 0.330 366 W C -2.023 174.408 176.519 -0.147 0.000 1.253 366 W CA -1.088 56.153 57.345 -0.173 0.000 1.187 366 W CB 1.099 30.475 29.460 -0.140 0.000 1.434 366 W HN 1.124 nan 8.180 nan 0.000 0.572 367 V N 2.501 122.428 119.914 0.022 0.000 3.000 367 V HA 0.795 4.915 4.120 0.000 0.000 0.300 367 V C 0.202 176.316 176.094 0.033 0.000 1.251 367 V CA 0.524 62.824 62.300 -0.000 0.000 0.972 367 V CB 1.294 33.087 31.823 -0.050 0.000 1.065 367 V HN 2.277 nan 8.190 nan 0.000 0.431 368 G N 5.323 114.174 108.800 0.085 0.000 2.545 368 G HA2 -0.077 3.883 3.960 0.000 0.000 0.216 368 G HA3 -0.077 3.883 3.960 0.000 0.000 0.216 368 G C -0.875 174.107 174.900 0.135 0.000 1.314 368 G CA -0.079 45.072 45.100 0.085 0.000 0.906 368 G HN 0.907 nan 8.290 nan 0.000 0.563 369 K N 0.679 121.145 120.400 0.110 0.000 2.118 369 K HA 0.611 4.931 4.320 0.000 0.000 0.264 369 K C 0.895 177.610 176.600 0.192 0.000 1.000 369 K CA 0.202 56.555 56.287 0.111 0.000 0.929 369 K CB 1.438 33.956 32.500 0.030 0.000 1.021 369 K HN 1.067 nan 8.250 nan 0.000 0.463 370 S N -0.295 115.452 115.700 0.077 0.000 2.693 370 S HA 0.167 4.637 4.470 0.000 0.000 0.276 370 S C 1.103 175.563 174.600 -0.233 0.000 1.192 370 S CA -0.632 57.489 58.200 -0.131 0.000 0.994 370 S CB 1.452 64.507 63.200 -0.242 0.000 1.012 370 S HN 0.624 nan 8.310 nan 0.000 0.550 371 E N 0.296 120.290 120.200 -0.343 0.000 2.110 371 E HA -0.177 4.173 4.350 0.000 0.000 0.193 371 E C 1.501 177.967 176.600 -0.223 0.000 0.988 371 E CA 1.330 57.527 56.400 -0.337 0.000 0.804 371 E CB -0.086 29.476 29.700 -0.229 0.000 0.745 371 E HN 0.711 nan 8.360 nan 0.000 0.458 372 E N 0.475 120.566 120.200 -0.182 0.000 2.077 372 E HA -0.187 4.163 4.350 0.000 0.000 0.193 372 E C 1.954 178.501 176.600 -0.088 0.000 0.989 372 E CA 0.989 57.318 56.400 -0.118 0.000 0.800 372 E CB -0.118 29.502 29.700 -0.134 0.000 0.746 372 E HN 0.271 nan 8.360 nan 0.000 0.452 373 Q N -0.096 119.646 119.800 -0.096 0.000 2.084 373 Q HA -0.072 4.268 4.340 0.000 0.000 0.202 373 Q C 2.223 178.192 176.000 -0.052 0.000 0.978 373 Q CA 0.965 56.737 55.803 -0.053 0.000 0.844 373 Q CB -0.125 28.597 28.738 -0.027 0.000 0.898 373 Q HN 0.284 nan 8.270 nan 0.000 0.426 374 L N 0.440 121.592 121.223 -0.119 0.000 2.046 374 L HA -0.223 4.117 4.340 0.000 0.000 0.208 374 L C 2.301 179.180 176.870 0.016 0.000 1.077 374 L CA 1.284 56.056 54.840 -0.114 0.000 0.747 374 L CB -0.309 41.494 42.059 -0.427 0.000 0.896 374 L HN 0.152 nan 8.230 nan 0.000 0.432 375 K N -0.508 119.909 120.400 0.028 0.000 2.057 375 K HA -0.166 4.154 4.320 0.000 0.000 0.206 375 K C 2.137 178.766 176.600 0.048 0.000 1.050 375 K CA 0.924 57.266 56.287 0.091 0.000 0.935 375 K CB -0.034 32.512 32.500 0.077 0.000 0.715 375 K HN 0.119 nan 8.250 nan 0.000 0.439 376 E N 1.214 121.425 120.200 0.018 0.000 2.118 376 E HA -0.192 4.158 4.350 0.000 0.000 0.195 376 E C 1.274 177.888 176.600 0.024 0.000 0.992 376 E CA 1.364 57.773 56.400 0.015 0.000 0.804 376 E CB 0.090 29.793 29.700 0.004 0.000 0.741 376 E HN 0.385 nan 8.360 nan 0.000 0.458 377 E N -1.014 119.203 120.200 0.028 0.000 2.489 377 E HA 0.137 4.487 4.350 0.000 0.000 0.193 377 E C 0.854 177.481 176.600 0.045 0.000 1.057 377 E CA 0.363 56.783 56.400 0.034 0.000 0.866 377 E CB 0.279 29.999 29.700 0.033 0.000 0.916 377 E HN 0.279 nan 8.360 nan 0.000 0.500 378 G N 1.997 110.831 108.800 0.057 0.000 2.198 378 G HA2 -0.244 3.716 3.960 0.000 0.000 0.260 378 G HA3 -0.244 3.716 3.960 0.000 0.000 0.260 378 G C 0.140 175.087 174.900 0.079 0.000 1.025 378 G CA -0.147 44.990 45.100 0.061 0.000 0.769 378 G HN 0.169 nan 8.290 nan 0.000 0.507 379 I N 0.323 120.963 120.570 0.117 0.000 2.395 379 I HA 0.314 4.484 4.170 0.000 0.000 0.289 379 I C 0.701 176.941 176.117 0.205 0.000 1.023 379 I CA -0.975 60.411 61.300 0.143 0.000 1.350 379 I CB 1.318 39.404 38.000 0.145 0.000 1.409 379 I HN 0.338 nan 8.210 nan 0.000 0.507 380 E N 7.416 127.687 120.200 0.117 0.000 2.052 380 E HA 0.262 4.612 4.350 0.000 0.000 0.283 380 E C -1.241 175.406 176.600 0.078 0.000 1.071 380 E CA -0.228 56.193 56.400 0.035 0.000 0.851 380 E CB 0.260 29.959 29.700 -0.001 0.000 1.066 380 E HN 0.410 nan 8.360 nan 0.000 0.396 381 Y N 1.616 121.920 120.300 0.008 0.000 2.633 381 Y HA 0.652 5.202 4.550 0.000 0.000 0.339 381 Y C -0.683 175.221 175.900 0.007 0.000 1.045 381 Y CA -1.402 56.705 58.100 0.011 0.000 1.098 381 Y CB 1.208 39.678 38.460 0.017 0.000 1.296 381 Y HN 0.122 nan 8.280 nan 0.000 0.494 382 K N 1.255 121.750 120.400 0.158 0.000 2.221 382 K HA 0.757 5.077 4.320 0.000 0.000 0.243 382 K C -1.582 175.141 176.600 0.204 0.000 0.968 382 K CA -1.198 55.136 56.287 0.078 0.000 0.846 382 K CB 2.648 35.179 32.500 0.052 0.000 1.141 382 K HN 0.539 nan 8.250 nan 0.000 0.434 383 V N 0.570 120.561 119.914 0.128 0.000 2.588 383 V HA 0.606 4.726 4.120 0.000 0.000 0.304 383 V C -0.091 176.053 176.094 0.083 0.000 1.042 383 V CA -0.932 61.451 62.300 0.139 0.000 0.877 383 V CB 1.818 33.728 31.823 0.145 0.000 0.996 383 V HN 0.945 nan 8.190 nan 0.000 0.425 384 G N 3.102 111.945 108.800 0.072 0.000 2.609 384 G HA2 0.722 4.682 3.960 0.000 0.000 0.308 384 G HA3 0.722 4.682 3.960 0.000 0.000 0.308 384 G C -1.113 173.819 174.900 0.054 0.000 1.369 384 G CA -0.685 44.450 45.100 0.059 0.000 0.958 384 G HN 0.610 nan 8.290 nan 0.000 0.499 385 K N 1.128 121.569 120.400 0.068 0.000 2.378 385 K HA 0.541 4.861 4.320 0.000 0.000 0.252 385 K C -1.957 174.665 176.600 0.038 0.000 0.931 385 K CA -0.745 55.561 56.287 0.031 0.000 0.794 385 K CB 2.900 35.400 32.500 -0.001 0.000 1.181 385 K HN 0.387 nan 8.250 nan 0.000 0.425 386 F N 4.676 124.503 119.950 -0.206 0.000 2.562 386 F HA 0.372 4.899 4.527 0.000 0.000 0.319 386 F C -2.513 173.022 175.800 -0.442 0.000 1.154 386 F CA -2.100 55.714 58.000 -0.310 0.000 0.931 386 F CB 1.733 40.581 39.000 -0.254 0.000 1.198 386 F HN 0.323 nan 8.300 nan 0.000 0.444 387 P HA 0.148 nan 4.420 nan 0.000 0.284 387 P C 0.273 177.271 177.300 -0.503 0.000 1.253 387 P CA -0.063 62.618 63.100 -0.699 0.000 0.800 387 P CB 0.924 32.135 31.700 -0.815 0.000 0.961 388 F N 1.716 121.598 119.950 -0.114 0.000 2.641 388 F HA -0.015 4.512 4.527 0.000 0.000 0.298 388 F C 2.407 178.200 175.800 -0.012 0.000 1.146 388 F CA 1.156 59.165 58.000 0.014 0.000 1.464 388 F CB -0.884 38.133 39.000 0.029 0.000 1.101 388 F HN 0.366 nan 8.300 nan 0.000 0.585 389 A N -0.532 122.313 122.820 0.042 0.000 2.119 389 A HA 0.224 4.544 4.320 0.000 0.000 0.217 389 A C 2.142 179.740 177.584 0.023 0.000 1.153 389 A CA 1.186 53.243 52.037 0.033 0.000 0.692 389 A CB -0.697 18.295 19.000 -0.013 0.000 0.799 389 A HN 0.204 nan 8.150 nan 0.000 0.458 390 A N -0.528 122.246 122.820 -0.076 0.000 2.387 390 A HA 0.187 4.507 4.320 0.000 0.000 0.234 390 A C 0.710 178.473 177.584 0.297 0.000 1.253 390 A CA -0.291 51.764 52.037 0.031 0.000 0.894 390 A CB -0.267 18.620 19.000 -0.188 0.000 0.963 390 A HN 0.454 nan 8.150 nan 0.000 0.508 391 N N 0.233 119.135 118.700 0.336 0.000 2.472 391 N HA 0.135 4.875 4.740 0.000 0.000 0.277 391 N C 0.533 176.186 175.510 0.238 0.000 1.081 391 N CA 0.180 53.455 53.050 0.374 0.000 0.973 391 N CB 1.258 40.003 38.487 0.431 0.000 1.105 391 N HN 0.077 nan 8.380 nan 0.000 0.470 392 S N 3.473 119.285 115.700 0.187 0.000 2.368 392 S HA -0.129 4.341 4.470 0.000 0.000 0.225 392 S C 1.735 176.369 174.600 0.056 0.000 1.030 392 S CA 0.945 59.213 58.200 0.114 0.000 0.999 392 S CB -0.070 63.184 63.200 0.088 0.000 0.844 392 S HN 0.664 nan 8.310 nan 0.000 0.459 393 R N 1.187 121.709 120.500 0.037 0.000 2.066 393 R HA -0.021 4.319 4.340 0.000 0.000 0.232 393 R C 2.424 178.764 176.300 0.068 0.000 1.131 393 R CA 1.246 57.363 56.100 0.029 0.000 0.955 393 R CB -0.515 29.799 30.300 0.024 0.000 0.851 393 R HN 0.363 nan 8.270 nan 0.000 0.432 394 A N 0.957 123.850 122.820 0.121 0.000 1.908 394 A HA -0.229 4.091 4.320 0.000 0.000 0.218 394 A C 2.055 179.697 177.584 0.095 0.000 1.181 394 A CA 1.881 53.983 52.037 0.109 0.000 0.627 394 A CB -0.434 18.690 19.000 0.207 0.000 0.818 394 A HN 0.233 nan 8.150 nan 0.000 0.445 395 K N -0.498 119.967 120.400 0.108 0.000 2.057 395 K HA -0.051 4.269 4.320 0.000 0.000 0.206 395 K C 1.952 178.592 176.600 0.066 0.000 1.050 395 K CA 2.043 58.383 56.287 0.089 0.000 0.935 395 K CB -0.756 31.803 32.500 0.098 0.000 0.715 395 K HN 0.454 nan 8.250 nan 0.000 0.439 396 T N 1.005 115.593 114.554 0.057 0.000 2.867 396 T HA -0.043 4.307 4.350 0.000 0.000 0.268 396 T C 1.155 175.876 174.700 0.034 0.000 1.057 396 T CA 1.260 63.383 62.100 0.039 0.000 1.136 396 T CB -0.217 68.666 68.868 0.025 0.000 0.874 396 T HN 0.203 nan 8.240 nan 0.000 0.466 397 N N 0.929 119.654 118.700 0.043 0.000 2.412 397 N HA 0.281 5.021 4.740 0.000 0.000 0.184 397 N C 0.985 176.529 175.510 0.056 0.000 1.101 397 N CA 0.613 53.691 53.050 0.046 0.000 0.881 397 N CB -0.063 38.457 38.487 0.054 0.000 0.969 397 N HN 0.414 nan 8.380 nan 0.000 0.459 398 A N 1.086 123.941 122.820 0.057 0.000 2.687 398 A HA -0.205 4.115 4.320 0.000 0.000 0.299 398 A C -0.264 177.368 177.584 0.080 0.000 1.497 398 A CA 1.095 53.169 52.037 0.062 0.000 0.751 398 A CB -1.907 17.123 19.000 0.050 0.000 1.048 398 A HN 0.320 nan 8.150 nan 0.000 0.464 399 D N -0.354 120.094 120.400 0.081 0.000 2.328 399 D HA 0.462 5.102 4.640 0.000 0.000 0.243 399 D C 0.607 176.934 176.300 0.045 0.000 1.324 399 D CA 0.498 54.553 54.000 0.091 0.000 0.966 399 D CB 0.422 41.295 40.800 0.123 0.000 1.324 399 D HN 0.596 nan 8.370 nan 0.000 0.549 400 T N -0.754 113.838 114.554 0.063 0.000 3.252 400 T HA 0.260 4.610 4.350 0.000 0.000 0.286 400 T C 0.256 175.015 174.700 0.097 0.000 1.013 400 T CA -0.599 61.552 62.100 0.085 0.000 0.914 400 T CB 0.128 69.060 68.868 0.106 0.000 1.131 400 T HN 0.013 nan 8.240 nan 0.000 0.529 401 D N 2.043 122.477 120.400 0.057 0.000 2.400 401 D HA 0.501 5.141 4.640 0.000 0.000 0.238 401 D C 1.255 177.634 176.300 0.131 0.000 1.157 401 D CA 1.669 55.717 54.000 0.079 0.000 0.889 401 D CB 0.751 41.592 40.800 0.068 0.000 1.199 401 D HN 0.638 nan 8.370 nan 0.000 0.436 402 G N 0.041 108.934 108.800 0.154 0.000 2.681 402 G HA2 0.049 4.009 3.960 0.000 0.000 0.220 402 G HA3 0.049 4.009 3.960 0.000 0.000 0.220 402 G C -0.417 174.637 174.900 0.258 0.000 1.353 402 G CA 0.121 45.352 45.100 0.219 0.000 0.872 402 G HN 0.799 nan 8.290 nan 0.000 0.557 403 M N -3.259 116.488 119.600 0.246 0.000 2.949 403 M HA 0.761 5.241 4.480 0.000 0.000 0.270 403 M C -1.251 175.040 176.300 -0.014 0.000 1.221 403 M CA -1.192 54.092 55.300 -0.027 0.000 0.818 403 M CB 1.827 34.370 32.600 -0.093 0.000 1.635 403 M HN 1.018 nan 8.290 nan 0.000 0.492 404 V N 1.516 121.341 119.914 -0.149 0.000 2.459 404 V HA 0.624 4.744 4.120 0.000 0.000 0.295 404 V C -0.777 175.331 176.094 0.023 0.000 1.029 404 V CA -0.465 61.832 62.300 -0.005 0.000 0.874 404 V CB 1.782 33.587 31.823 -0.031 0.000 0.985 404 V HN 0.774 nan 8.190 nan 0.000 0.438 405 K N 5.066 125.519 120.400 0.089 0.000 2.463 405 K HA 0.590 4.910 4.320 0.000 0.000 0.255 405 K C -1.603 175.071 176.600 0.125 0.000 0.942 405 K CA -0.640 55.700 56.287 0.088 0.000 0.814 405 K CB 1.336 33.887 32.500 0.085 0.000 1.122 405 K HN 0.454 nan 8.250 nan 0.000 0.425 406 I N 5.678 126.288 120.570 0.068 0.000 2.404 406 I HA 0.362 4.533 4.170 0.000 0.000 0.293 406 I C -0.371 175.797 176.117 0.084 0.000 0.992 406 I CA -0.907 60.423 61.300 0.051 0.000 1.149 406 I CB 1.474 39.441 38.000 -0.055 0.000 1.315 406 I HN 0.589 nan 8.210 nan 0.000 0.446 407 L N 5.405 126.683 121.223 0.093 0.000 2.325 407 L HA 0.729 5.069 4.340 0.000 0.000 0.281 407 L C 0.339 177.265 176.870 0.093 0.000 1.004 407 L CA -0.426 54.470 54.840 0.093 0.000 0.823 407 L CB 1.928 43.978 42.059 -0.015 0.000 1.236 407 L HN 0.695 nan 8.230 nan 0.000 0.415 408 G N 1.652 110.534 108.800 0.137 0.000 2.519 408 G HA2 0.461 4.421 3.960 0.000 0.000 0.307 408 G HA3 0.461 4.421 3.960 0.000 0.000 0.307 408 G C -1.414 173.573 174.900 0.144 0.000 1.266 408 G CA -0.453 44.712 45.100 0.109 0.000 0.970 408 G HN 0.509 nan 8.290 nan 0.000 0.481 409 Q N 0.199 120.064 119.800 0.109 0.000 2.304 409 Q HA 0.221 4.561 4.340 0.000 0.000 0.260 409 Q C 1.454 177.502 176.000 0.080 0.000 0.965 409 Q CA -0.314 55.553 55.803 0.108 0.000 0.898 409 Q CB 1.140 29.927 28.738 0.081 0.000 1.196 409 Q HN 0.562 nan 8.270 nan 0.000 0.402 410 K N 1.603 122.044 120.400 0.069 0.000 2.097 410 K HA -0.160 4.160 4.320 0.000 0.000 0.206 410 K C 1.673 178.288 176.600 0.025 0.000 1.049 410 K CA 2.053 58.359 56.287 0.032 0.000 0.933 410 K CB 0.003 32.506 32.500 0.004 0.000 0.717 410 K HN 0.691 nan 8.250 nan 0.000 0.442 411 S N -1.423 114.296 115.700 0.030 0.000 2.414 411 S HA -0.086 4.384 4.470 0.000 0.000 0.227 411 S C 1.759 176.376 174.600 0.028 0.000 1.022 411 S CA 1.197 59.412 58.200 0.025 0.000 0.958 411 S CB -0.304 62.911 63.200 0.026 0.000 0.797 411 S HN 0.491 nan 8.310 nan 0.000 0.493 412 T N -3.395 111.180 114.554 0.036 0.000 3.004 412 T HA 0.284 4.634 4.350 0.000 0.000 0.266 412 T C 0.379 175.103 174.700 0.039 0.000 0.986 412 T CA 0.555 62.676 62.100 0.036 0.000 0.902 412 T CB 0.006 68.897 68.868 0.038 0.000 1.118 412 T HN 0.254 nan 8.240 nan 0.000 0.522 413 D N 0.878 121.304 120.400 0.043 0.000 3.046 413 D HA -0.197 4.443 4.640 0.000 0.000 0.210 413 D C 0.254 176.583 176.300 0.048 0.000 1.124 413 D CA 0.746 54.773 54.000 0.045 0.000 0.986 413 D CB -1.189 39.635 40.800 0.040 0.000 1.118 413 D HN 0.651 nan 8.370 nan 0.000 0.416 414 R N 0.039 120.571 120.500 0.053 0.000 2.623 414 R HA 0.274 4.614 4.340 0.000 0.000 0.271 414 R C -0.263 176.074 176.300 0.061 0.000 1.043 414 R CA -0.123 56.011 56.100 0.057 0.000 1.083 414 R CB 0.588 30.923 30.300 0.059 0.000 0.974 414 R HN -0.002 nan 8.270 nan 0.000 0.436 415 V N 7.267 127.219 119.914 0.063 0.000 2.470 415 V HA 0.023 4.143 4.120 0.000 0.000 0.276 415 V C 1.195 177.328 176.094 0.066 0.000 1.040 415 V CA 0.161 62.499 62.300 0.063 0.000 1.008 415 V CB 1.128 32.994 31.823 0.071 0.000 0.990 415 V HN 0.784 nan 8.190 nan 0.000 0.477 416 L N 4.029 125.288 121.223 0.060 0.000 2.515 416 L HA 0.508 4.848 4.340 0.000 0.000 0.223 416 L C 1.018 177.918 176.870 0.050 0.000 1.079 416 L CA 0.563 55.434 54.840 0.052 0.000 0.857 416 L CB 0.248 42.330 42.059 0.039 0.000 1.050 416 L HN 0.787 nan 8.230 nan 0.000 0.476 417 G N -0.041 108.791 108.800 0.053 0.000 2.733 417 G HA2 0.647 4.607 3.960 0.000 0.000 0.297 417 G HA3 0.647 4.607 3.960 0.000 0.000 0.297 417 G C -1.960 172.941 174.900 0.002 0.000 1.452 417 G CA -0.034 45.085 45.100 0.031 0.000 0.940 417 G HN -0.020 nan 8.290 nan 0.000 0.547 418 A N 2.066 124.797 122.820 -0.149 0.000 2.359 418 A HA 0.838 5.159 4.320 0.000 0.000 0.303 418 A C -1.001 176.412 177.584 -0.286 0.000 1.066 418 A CA -0.717 51.302 52.037 -0.030 0.000 0.730 418 A CB 1.126 20.258 19.000 0.221 0.000 1.211 418 A HN 0.742 nan 8.150 nan 0.000 0.439 419 H N 2.439 121.608 119.070 0.165 0.000 2.658 419 H HA 0.488 5.044 4.556 0.000 0.000 0.337 419 H C -1.292 174.122 175.328 0.143 0.000 1.009 419 H CA -0.258 55.879 56.048 0.148 0.000 1.231 419 H CB 1.655 31.427 29.762 0.016 0.000 1.508 419 H HN 0.545 nan 8.280 nan 0.000 0.517 420 I N 4.110 124.821 120.570 0.236 0.000 2.418 420 I HA 0.131 4.301 4.170 0.000 0.000 0.287 420 I C -0.710 175.509 176.117 0.169 0.000 1.008 420 I CA -0.710 60.722 61.300 0.221 0.000 1.104 420 I CB 2.123 40.248 38.000 0.209 0.000 1.264 420 I HN 0.206 nan 8.210 nan 0.000 0.438 421 L N 7.004 128.346 121.223 0.198 0.000 2.316 421 L HA 0.977 5.317 4.340 0.000 0.000 0.280 421 L C -0.003 176.981 176.870 0.190 0.000 1.006 421 L CA 0.421 55.332 54.840 0.119 0.000 0.836 421 L CB 0.865 42.985 42.059 0.103 0.000 1.221 421 L HN 0.814 nan 8.230 nan 0.000 0.418 422 G N 4.334 113.127 108.800 -0.012 0.000 2.340 422 G HA2 0.098 4.058 3.960 0.000 0.000 0.282 422 G HA3 0.098 4.058 3.960 0.000 0.000 0.282 422 G C -3.315 171.282 174.900 -0.504 0.000 1.312 422 G CA -0.624 44.314 45.100 -0.271 0.000 0.942 422 G HN 0.490 nan 8.290 nan 0.000 0.495 423 P HA 0.335 nan 4.420 nan 0.000 0.264 423 P C 1.033 178.077 177.300 -0.427 0.000 1.193 423 P CA 1.902 64.676 63.100 -0.543 0.000 0.763 423 P CB 0.785 32.206 31.700 -0.464 0.000 0.810 424 G N 2.805 111.463 108.800 -0.237 0.000 2.153 424 G HA2 -0.324 3.636 3.960 0.000 0.000 0.252 424 G HA3 -0.324 3.636 3.960 0.000 0.000 0.252 424 G C 1.086 175.919 174.900 -0.112 0.000 0.994 424 G CA 0.472 45.492 45.100 -0.133 0.000 0.698 424 G HN 0.709 nan 8.290 nan 0.000 0.521 425 A N 0.118 122.854 122.820 -0.141 0.000 1.883 425 A HA 0.212 4.532 4.320 0.000 0.000 0.217 425 A C 2.915 180.401 177.584 -0.164 0.000 1.186 425 A CA 2.444 54.419 52.037 -0.103 0.000 0.624 425 A CB -1.145 17.791 19.000 -0.106 0.000 0.822 425 A HN 1.694 nan 8.150 nan 0.000 0.444 426 G N -0.489 108.169 108.800 -0.237 0.000 2.476 426 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 426 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 426 G C 1.418 176.206 174.900 -0.186 0.000 1.164 426 G CA 1.211 46.133 45.100 -0.297 0.000 0.768 426 G HN 0.527 nan 8.290 nan 0.000 0.560 427 E N -0.250 119.876 120.200 -0.122 0.000 2.112 427 E HA 0.016 4.366 4.350 0.000 0.000 0.190 427 E C 2.381 178.904 176.600 -0.128 0.000 0.979 427 E CA 0.385 56.727 56.400 -0.098 0.000 0.814 427 E CB -0.431 29.236 29.700 -0.056 0.000 0.762 427 E HN 0.512 nan 8.360 nan 0.000 0.460 428 M N 0.776 120.296 119.600 -0.132 0.000 2.202 428 M HA -0.130 4.350 4.480 0.000 0.000 0.262 428 M C 2.184 178.298 176.300 -0.310 0.000 1.063 428 M CA 0.955 56.138 55.300 -0.195 0.000 1.097 428 M CB 0.035 32.566 32.600 -0.115 0.000 1.382 428 M HN -0.040 nan 8.290 nan 0.000 0.413 429 V N 1.260 121.034 119.914 -0.233 0.000 2.759 429 V HA -0.241 3.879 4.120 0.000 0.000 0.256 429 V C 1.693 177.658 176.094 -0.215 0.000 1.080 429 V CA 1.776 63.939 62.300 -0.228 0.000 1.101 429 V CB -0.776 30.931 31.823 -0.194 0.000 0.698 429 V HN 0.573 nan 8.190 nan 0.000 0.477 430 N N 0.006 118.588 118.700 -0.196 0.000 2.309 430 N HA -0.175 4.565 4.740 0.000 0.000 0.182 430 N C 1.774 177.200 175.510 -0.140 0.000 1.018 430 N CA 1.425 54.384 53.050 -0.153 0.000 0.876 430 N CB -0.092 38.318 38.487 -0.129 0.000 0.972 430 N HN 0.690 nan 8.380 nan 0.000 0.434 431 E N 1.076 121.151 120.200 -0.208 0.000 2.107 431 E HA -0.045 4.305 4.350 0.000 0.000 0.191 431 E C 1.808 178.320 176.600 -0.146 0.000 0.982 431 E CA 0.671 56.959 56.400 -0.187 0.000 0.809 431 E CB 0.091 29.617 29.700 -0.290 0.000 0.756 431 E HN 0.270 nan 8.360 nan 0.000 0.459 432 A N 1.255 123.919 122.820 -0.259 0.000 1.898 432 A HA -0.050 4.270 4.320 0.000 0.000 0.216 432 A C 2.382 179.985 177.584 0.032 0.000 1.181 432 A CA 1.593 53.624 52.037 -0.009 0.000 0.620 432 A CB -0.659 18.337 19.000 -0.006 0.000 0.819 432 A HN 0.392 nan 8.150 nan 0.000 0.442 433 A N -0.378 122.420 122.820 -0.037 0.000 1.902 433 A HA -0.041 4.279 4.320 0.000 0.000 0.217 433 A C 2.132 179.709 177.584 -0.011 0.000 1.181 433 A CA 1.739 53.759 52.037 -0.028 0.000 0.623 433 A CB -0.612 18.350 19.000 -0.063 0.000 0.818 433 A HN 0.737 nan 8.150 nan 0.000 0.443 434 L N -0.215 121.008 121.223 -0.000 0.000 2.046 434 L HA -0.046 4.294 4.340 0.000 0.000 0.208 434 L C 2.634 179.577 176.870 0.122 0.000 1.077 434 L CA 2.223 57.083 54.840 0.033 0.000 0.747 434 L CB -0.864 41.235 42.059 0.067 0.000 0.896 434 L HN 0.335 nan 8.230 nan 0.000 0.432 435 A N -0.524 122.388 122.820 0.154 0.000 1.865 435 A HA -0.220 4.100 4.320 0.000 0.000 0.217 435 A C 2.226 179.910 177.584 0.167 0.000 1.191 435 A CA 2.098 54.258 52.037 0.206 0.000 0.623 435 A CB -1.102 18.033 19.000 0.224 0.000 0.826 435 A HN 0.438 nan 8.150 nan 0.000 0.444 436 L N -0.373 120.915 121.223 0.108 0.000 2.042 436 L HA -0.174 4.166 4.340 0.000 0.000 0.210 436 L C 2.347 179.238 176.870 0.036 0.000 1.076 436 L CA 2.383 57.266 54.840 0.072 0.000 0.749 436 L CB -0.709 41.380 42.059 0.050 0.000 0.893 436 L HN 0.503 nan 8.230 nan 0.000 0.432 437 E N -1.921 118.261 120.200 -0.029 0.000 2.265 437 E HA -0.208 4.142 4.350 0.000 0.000 0.196 437 E C 1.437 177.928 176.600 -0.182 0.000 0.996 437 E CA 1.114 57.431 56.400 -0.138 0.000 0.832 437 E CB -0.070 29.475 29.700 -0.259 0.000 0.756 437 E HN 0.568 nan 8.360 nan 0.000 0.491 438 Y N -1.404 118.916 120.300 0.032 0.000 2.458 438 Y HA 0.300 4.850 4.550 0.000 0.000 0.256 438 Y C 1.394 177.313 175.900 0.031 0.000 1.159 438 Y CA 0.373 58.490 58.100 0.029 0.000 1.261 438 Y CB 0.846 39.322 38.460 0.027 0.000 1.119 438 Y HN 0.070 nan 8.280 nan 0.000 0.524 439 G N 0.796 109.691 108.800 0.160 0.000 2.225 439 G HA2 -0.172 3.788 3.960 0.000 0.000 0.264 439 G HA3 -0.172 3.788 3.960 0.000 0.000 0.264 439 G C 0.342 175.312 174.900 0.117 0.000 1.060 439 G CA 0.029 45.197 45.100 0.115 0.000 0.833 439 G HN 0.611 nan 8.290 nan 0.000 0.498 440 A N -0.154 122.750 122.820 0.141 0.000 2.425 440 A HA 0.762 5.082 4.320 0.000 0.000 0.242 440 A C 1.105 178.738 177.584 0.081 0.000 1.077 440 A CA 0.868 52.971 52.037 0.110 0.000 0.781 440 A CB 0.418 19.496 19.000 0.130 0.000 1.020 440 A HN 2.049 nan 8.150 nan 0.000 0.494 441 S N -0.070 115.665 115.700 0.059 0.000 2.693 441 S HA 0.266 4.736 4.470 0.000 0.000 0.276 441 S C 1.022 175.641 174.600 0.031 0.000 1.192 441 S CA -0.130 58.097 58.200 0.045 0.000 0.994 441 S CB 0.687 63.910 63.200 0.037 0.000 1.012 441 S HN 0.714 nan 8.310 nan 0.000 0.550 442 C N 0.430 119.740 119.300 0.016 0.000 2.425 442 C HA 0.002 4.462 4.460 0.000 0.000 0.277 442 C C 2.674 177.653 174.990 -0.019 0.000 1.280 442 C CA 0.957 59.963 59.018 -0.019 0.000 1.744 442 C CB -1.555 26.177 27.740 -0.013 0.000 1.989 442 C HN 1.066 nan 8.230 nan 0.000 0.491 443 E N 1.033 121.237 120.200 0.007 0.000 2.106 443 E HA -0.205 4.145 4.350 0.000 0.000 0.192 443 E C 1.446 178.049 176.600 0.005 0.000 0.984 443 E CA 1.165 57.568 56.400 0.005 0.000 0.806 443 E CB -0.121 29.590 29.700 0.019 0.000 0.750 443 E HN 0.516 nan 8.360 nan 0.000 0.458 444 D N 0.618 121.028 120.400 0.016 0.000 2.116 444 D HA -0.203 4.437 4.640 0.000 0.000 0.193 444 D C 1.999 178.323 176.300 0.040 0.000 0.998 444 D CA 1.288 55.301 54.000 0.022 0.000 0.836 444 D CB -0.231 40.588 40.800 0.031 0.000 0.951 444 D HN 0.333 nan 8.370 nan 0.000 0.449 445 I N 0.809 121.408 120.570 0.048 0.000 2.353 445 I HA -0.181 3.989 4.170 0.000 0.000 0.248 445 I C 2.465 178.624 176.117 0.072 0.000 1.119 445 I CA 0.834 62.192 61.300 0.097 0.000 1.417 445 I CB -0.214 37.817 38.000 0.051 0.000 1.078 445 I HN -0.092 nan 8.210 nan 0.000 0.421 446 A N 0.981 123.789 122.820 -0.020 0.000 1.972 446 A HA -0.154 4.166 4.320 0.000 0.000 0.219 446 A C 2.307 179.883 177.584 -0.014 0.000 1.169 446 A CA 1.386 53.389 52.037 -0.056 0.000 0.635 446 A CB -0.473 18.482 19.000 -0.076 0.000 0.810 446 A HN 0.363 nan 8.150 nan 0.000 0.446 447 R N -0.837 119.667 120.500 0.007 0.000 2.310 447 R HA 0.168 4.508 4.340 0.000 0.000 0.202 447 R C -0.357 175.966 176.300 0.037 0.000 0.933 447 R CA -0.115 55.989 56.100 0.007 0.000 1.054 447 R CB 0.093 30.387 30.300 -0.010 0.000 0.985 447 R HN 0.294 nan 8.270 nan 0.000 0.489 448 V N 1.483 121.449 119.914 0.086 0.000 2.508 448 V HA -0.030 4.090 4.120 0.000 0.000 0.281 448 V C 0.551 176.721 176.094 0.127 0.000 1.041 448 V CA -0.719 61.624 62.300 0.071 0.000 1.016 448 V CB 1.215 33.071 31.823 0.055 0.000 0.984 448 V HN 0.319 nan 8.190 nan 0.000 0.478 449 C N 7.488 126.815 119.300 0.044 0.000 2.667 449 C HA 0.245 4.705 4.460 0.000 0.000 0.392 449 C C 0.570 175.585 174.990 0.042 0.000 1.332 449 C CA -0.318 58.738 59.018 0.063 0.000 1.594 449 C CB -1.869 25.883 27.740 0.020 0.000 2.345 449 C HN 0.889 nan 8.230 nan 0.000 0.594 450 H N 3.065 122.151 119.070 0.027 0.000 2.488 450 H HA 0.551 5.107 4.556 0.000 0.000 0.347 450 H C 0.550 175.908 175.328 0.051 0.000 1.174 450 H CA 0.574 56.647 56.048 0.042 0.000 1.307 450 H CB 1.111 30.903 29.762 0.050 0.000 1.517 450 H HN 0.851 nan 8.280 nan 0.000 0.554 451 A N 1.421 124.330 122.820 0.149 0.000 2.388 451 A HA 0.268 4.588 4.320 0.000 0.000 0.257 451 A C -0.655 177.016 177.584 0.145 0.000 1.095 451 A CA -0.070 52.036 52.037 0.115 0.000 0.791 451 A CB -0.182 18.857 19.000 0.065 0.000 1.029 451 A HN 0.865 nan 8.150 nan 0.000 0.489 452 H N 2.365 121.468 119.070 0.055 0.000 2.505 452 H HA 0.630 5.186 4.556 0.000 0.000 0.338 452 H C -2.406 172.948 175.328 0.044 0.000 1.057 452 H CA -1.390 54.688 56.048 0.050 0.000 1.202 452 H CB 1.316 31.101 29.762 0.039 0.000 1.466 452 H HN 0.579 nan 8.280 nan 0.000 0.499 453 P HA 0.320 nan 4.420 nan 0.000 0.301 453 P C -1.342 175.857 177.300 -0.168 0.000 1.337 453 P CA -0.640 62.120 63.100 -0.567 0.000 0.889 453 P CB 1.969 33.278 31.700 -0.652 0.000 1.050 454 T N -1.287 113.226 114.554 -0.069 0.000 2.883 454 T HA 0.353 4.703 4.350 0.000 0.000 0.301 454 T C 1.141 175.892 174.700 0.085 0.000 1.158 454 T CA -0.912 61.203 62.100 0.025 0.000 1.007 454 T CB 0.862 69.769 68.868 0.064 0.000 1.186 454 T HN 0.122 nan 8.240 nan 0.000 0.499 455 L N 1.498 122.794 121.223 0.122 0.000 2.191 455 L HA -0.048 4.292 4.340 0.000 0.000 0.212 455 L C 3.034 180.061 176.870 0.261 0.000 1.103 455 L CA 1.540 56.525 54.840 0.242 0.000 0.769 455 L CB -0.664 41.502 42.059 0.179 0.000 0.908 455 L HN 0.959 nan 8.230 nan 0.000 0.438 456 S N -0.458 115.353 115.700 0.184 0.000 2.465 456 S HA -0.209 4.261 4.470 0.000 0.000 0.241 456 S C 1.617 176.276 174.600 0.098 0.000 1.000 456 S CA 1.127 59.453 58.200 0.210 0.000 0.964 456 S CB -0.338 63.037 63.200 0.292 0.000 0.763 456 S HN 0.518 nan 8.310 nan 0.000 0.512 457 E N 1.143 121.361 120.200 0.030 0.000 2.204 457 E HA -0.011 4.339 4.350 0.000 0.000 0.194 457 E C 2.321 178.730 176.600 -0.319 0.000 0.989 457 E CA 0.854 57.170 56.400 -0.141 0.000 0.824 457 E CB -0.342 29.337 29.700 -0.035 0.000 0.756 457 E HN 0.786 nan 8.360 nan 0.000 0.477 458 A N 0.790 123.492 122.820 -0.197 0.000 1.930 458 A HA -0.153 4.167 4.320 0.000 0.000 0.217 458 A C 1.882 179.289 177.584 -0.295 0.000 1.175 458 A CA 0.755 52.570 52.037 -0.371 0.000 0.627 458 A CB -0.517 18.235 19.000 -0.413 0.000 0.815 458 A HN 0.323 nan 8.150 nan 0.000 0.443 459 F N 0.522 120.325 119.950 -0.246 0.000 2.186 459 F HA -0.062 4.465 4.527 0.000 0.000 0.299 459 F C 2.309 177.961 175.800 -0.247 0.000 1.090 459 F CA 1.728 59.627 58.000 -0.169 0.000 1.307 459 F CB -0.188 38.780 39.000 -0.054 0.000 1.019 459 F HN 0.196 nan 8.300 nan 0.000 0.489 460 R N 0.367 120.621 120.500 -0.410 0.000 2.075 460 R HA -0.131 4.209 4.340 0.000 0.000 0.232 460 R C 2.084 178.115 176.300 -0.449 0.000 1.126 460 R CA 1.677 57.439 56.100 -0.564 0.000 0.963 460 R CB -0.344 29.445 30.300 -0.853 0.000 0.858 460 R HN 0.298 nan 8.270 nan 0.000 0.435 461 E N 0.134 120.021 120.200 -0.521 0.000 2.107 461 E HA -0.120 4.230 4.350 0.000 0.000 0.191 461 E C 1.862 178.291 176.600 -0.286 0.000 0.982 461 E CA 1.026 57.115 56.400 -0.518 0.000 0.809 461 E CB -0.031 28.956 29.700 -1.188 0.000 0.756 461 E HN 0.440 nan 8.360 nan 0.000 0.459 462 A N 1.853 124.510 122.820 -0.272 0.000 1.933 462 A HA -0.175 4.145 4.320 0.000 0.000 0.218 462 A C 1.952 179.444 177.584 -0.153 0.000 1.175 462 A CA 1.177 53.147 52.037 -0.112 0.000 0.628 462 A CB -0.385 18.541 19.000 -0.124 0.000 0.814 462 A HN 0.151 nan 8.150 nan 0.000 0.444 463 N N -0.428 118.099 118.700 -0.288 0.000 2.216 463 N HA -0.109 4.631 4.740 0.000 0.000 0.183 463 N C 1.684 177.127 175.510 -0.113 0.000 1.017 463 N CA 1.430 54.335 53.050 -0.242 0.000 0.861 463 N CB -0.246 38.026 38.487 -0.360 0.000 0.986 463 N HN 0.424 nan 8.380 nan 0.000 0.428 464 L N 1.525 122.681 121.223 -0.111 0.000 2.056 464 L HA -0.010 4.330 4.340 0.000 0.000 0.207 464 L C 2.192 179.102 176.870 0.067 0.000 1.078 464 L CA 1.486 56.306 54.840 -0.033 0.000 0.749 464 L CB -0.867 41.148 42.059 -0.074 0.000 0.901 464 L HN 0.045 nan 8.230 nan 0.000 0.433 465 A N -0.390 122.466 122.820 0.061 0.000 1.902 465 A HA -0.098 4.222 4.320 0.000 0.000 0.217 465 A C 2.453 180.088 177.584 0.085 0.000 1.181 465 A CA 1.866 53.972 52.037 0.114 0.000 0.623 465 A CB -1.178 17.903 19.000 0.135 0.000 0.818 465 A HN 0.580 nan 8.150 nan 0.000 0.443 466 A N -1.093 121.755 122.820 0.047 0.000 1.898 466 A HA -0.066 4.254 4.320 0.000 0.000 0.216 466 A C 2.490 180.105 177.584 0.051 0.000 1.181 466 A CA 2.172 54.235 52.037 0.043 0.000 0.620 466 A CB -0.829 18.185 19.000 0.023 0.000 0.819 466 A HN 0.537 nan 8.150 nan 0.000 0.442 467 S N -2.021 113.716 115.700 0.061 0.000 2.348 467 S HA -0.043 4.427 4.470 0.000 0.000 0.219 467 S C 1.639 176.325 174.600 0.143 0.000 1.033 467 S CA 1.415 59.665 58.200 0.083 0.000 0.974 467 S CB -0.353 62.888 63.200 0.069 0.000 0.868 467 S HN 0.574 nan 8.310 nan 0.000 0.459 468 F N 0.669 120.614 119.950 -0.009 0.000 2.619 468 F HA 0.375 4.902 4.527 0.000 0.000 0.293 468 F C 1.520 177.320 175.800 -0.000 0.000 1.119 468 F CA 1.129 59.126 58.000 -0.005 0.000 1.445 468 F CB 0.398 39.394 39.000 -0.007 0.000 1.119 468 F HN 0.402 nan 8.300 nan 0.000 0.573 469 G N 0.884 109.717 108.800 0.055 0.000 2.259 469 G HA2 -0.193 3.767 3.960 0.000 0.000 0.217 469 G HA3 -0.193 3.767 3.960 0.000 0.000 0.217 469 G C 0.182 175.111 174.900 0.049 0.000 1.001 469 G CA -0.005 45.070 45.100 -0.042 0.000 0.627 469 G HN 0.377 nan 8.290 nan 0.000 0.501 470 K N 0.679 121.200 120.400 0.202 0.000 2.498 470 K HA 0.621 4.941 4.320 0.000 0.000 0.254 470 K C 0.100 176.859 176.600 0.265 0.000 0.933 470 K CA -0.105 56.319 56.287 0.229 0.000 0.806 470 K CB 2.317 34.963 32.500 0.243 0.000 1.301 470 K HN 0.416 nan 8.250 nan 0.000 0.432 471 S N 1.750 117.588 115.700 0.231 0.000 2.694 471 S HA 0.368 4.838 4.470 0.000 0.000 0.278 471 S C 1.034 175.740 174.600 0.177 0.000 1.152 471 S CA -0.726 57.590 58.200 0.194 0.000 1.010 471 S CB 0.495 63.885 63.200 0.316 0.000 1.104 471 S HN 0.487 nan 8.310 nan 0.000 0.547 472 I N 0.846 121.489 120.570 0.123 0.000 2.494 472 I HA 0.058 4.228 4.170 0.000 0.000 0.250 472 I C 1.247 177.464 176.117 0.167 0.000 1.112 472 I CA 0.728 62.088 61.300 0.100 0.000 1.438 472 I CB -1.267 36.748 38.000 0.026 0.000 1.111 472 I HN 0.644 nan 8.210 nan 0.000 0.431 473 N N 0.054 118.930 118.700 0.292 0.000 2.313 473 N HA 0.107 4.847 4.740 0.000 0.000 0.207 473 N C -0.290 175.483 175.510 0.439 0.000 1.141 473 N CA 0.154 53.423 53.050 0.365 0.000 0.830 473 N CB 0.831 39.574 38.487 0.426 0.000 1.008 473 N HN 0.171 nan 8.380 nan 0.000 0.481 474 F N 0.000 120.064 119.950 0.189 0.000 2.286 474 F HA 0.000 4.527 4.527 0.000 0.000 0.279 474 F CA 0.000 58.007 58.000 0.012 0.000 1.383 474 F CB 0.000 38.849 39.000 -0.252 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574