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 1upb_1_C DATA FIRST_RESID 12 DATA SEQUENCE PTAAHALLSR LRDHGVGKVF GVVGREAASI LFDEVEGIDF VLTRHEFTAG DATA SEQUENCE VAADVLARIT GRPQACWATL GPGMTNLSTG IATSVLDRSP VIALAAQSES DATA SEQUENCE HDIFPNDTHQ CLDSVAIVAP MSKYAVELQR PHEITDLVDS AVNAAMTEPV DATA SEQUENCE GPSFISLPVD LLGSSEGIDX XXXXPPANTP AKPVGVVADG WQKAADQAAA DATA SEQUENCE LLAEAKHPVL VVGAAAIRSG AVPAIRALAE RLNIPVITTY IAKGVLPVGH DATA SEQUENCE ELNYGAVTGY MDGILNFPAL QTMFAPVDLV LTVGYDYAED LRPSMWQKGI DATA SEQUENCE EKKTVRISPT VNPIPRVYRP DVDVVTDVLA FVEHFETATA SFGAKQRHDI DATA SEQUENCE EPLRARIAEF LADPETYEDG MRVHQVIDSM NTVMEEAAEP GEGTIVSDIG DATA SEQUENCE FFRHYGVLFA RADQPFGFLT SAGCSSFGYG IPAAIGAQMA RPDQPTFLIA DATA SEQUENCE GDGGFHSNSS DLETIARLNL PIVTVVVNND TNGLIELYQN IGHHRSHDPA DATA SEQUENCE VKFGGVDFVA LAEANGVDAT RATNREELLA ALRKGAELGR PFLIEVPVNY DATA SEQUENCE DF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 P HA 0.000 nan 4.420 nan 0.000 0.216 12 P C 0.000 177.273 177.300 -0.045 0.000 1.155 12 P CA 0.000 63.019 63.100 -0.135 0.000 0.800 12 P CB 0.000 31.585 31.700 -0.191 0.000 0.726 13 T N -0.386 114.173 114.554 0.007 0.000 2.919 13 T HA 0.697 5.047 4.350 0.000 0.000 0.282 13 T C 1.288 176.029 174.700 0.069 0.000 1.020 13 T CA 0.209 62.326 62.100 0.030 0.000 0.994 13 T CB 1.346 70.220 68.868 0.010 0.000 1.180 13 T HN 0.278 nan 8.240 nan 0.000 0.566 14 A N 0.605 123.457 122.820 0.054 0.000 2.019 14 A HA 0.211 4.531 4.320 0.000 0.000 0.219 14 A C 2.457 180.073 177.584 0.054 0.000 1.164 14 A CA 2.004 54.077 52.037 0.061 0.000 0.644 14 A CB -1.217 17.812 19.000 0.048 0.000 0.805 14 A HN 0.965 nan 8.150 nan 0.000 0.449 15 A N -0.562 122.275 122.820 0.029 0.000 1.908 15 A HA -0.210 4.110 4.320 0.000 0.000 0.218 15 A C 2.000 179.572 177.584 -0.021 0.000 1.181 15 A CA 2.097 54.118 52.037 -0.027 0.000 0.627 15 A CB -0.900 18.033 19.000 -0.112 0.000 0.818 15 A HN 0.806 nan 8.150 nan 0.000 0.445 16 H N -0.336 118.701 119.070 -0.056 0.000 2.353 16 H HA 0.059 4.616 4.556 0.000 0.000 0.300 16 H C 2.110 177.432 175.328 -0.010 0.000 1.090 16 H CA 1.978 58.002 56.048 -0.041 0.000 1.327 16 H CB -0.187 29.555 29.762 -0.034 0.000 1.383 16 H HN 0.388 nan 8.280 nan 0.000 0.508 17 A N 0.566 123.438 122.820 0.085 0.000 1.930 17 A HA -0.069 4.251 4.320 0.000 0.000 0.217 17 A C 2.339 179.923 177.584 0.001 0.000 1.175 17 A CA 1.347 53.416 52.037 0.054 0.000 0.627 17 A CB -0.784 18.278 19.000 0.104 0.000 0.815 17 A HN 0.499 nan 8.150 nan 0.000 0.443 18 L N -0.101 121.134 121.223 0.021 0.000 1.994 18 L HA -0.095 4.245 4.340 0.000 0.000 0.208 18 L C 2.250 179.141 176.870 0.036 0.000 1.071 18 L CA 1.836 56.708 54.840 0.054 0.000 0.745 18 L CB -0.645 41.479 42.059 0.107 0.000 0.892 18 L HN 0.380 nan 8.230 nan 0.000 0.431 19 L N -0.986 120.228 121.223 -0.016 0.000 2.083 19 L HA -0.181 4.159 4.340 0.000 0.000 0.209 19 L C 2.733 179.554 176.870 -0.081 0.000 1.083 19 L CA 1.443 56.269 54.840 -0.023 0.000 0.752 19 L CB -0.802 41.218 42.059 -0.065 0.000 0.899 19 L HN 0.429 nan 8.230 nan 0.000 0.433 20 S N -0.139 115.447 115.700 -0.191 0.000 2.368 20 S HA -0.222 4.248 4.470 0.000 0.000 0.225 20 S C 2.184 176.730 174.600 -0.090 0.000 1.030 20 S CA 1.347 59.427 58.200 -0.200 0.000 0.999 20 S CB -0.081 62.922 63.200 -0.329 0.000 0.844 20 S HN 0.239 nan 8.310 nan 0.000 0.459 21 R N 0.954 121.426 120.500 -0.048 0.000 2.115 21 R HA 0.238 4.578 4.340 0.000 0.000 0.226 21 R C 2.164 178.476 176.300 0.019 0.000 1.100 21 R CA 1.114 57.196 56.100 -0.030 0.000 0.980 21 R CB -0.907 29.403 30.300 0.017 0.000 0.875 21 R HN 0.490 nan 8.270 nan 0.000 0.445 22 L N 0.003 121.268 121.223 0.070 0.000 2.012 22 L HA -0.188 4.152 4.340 0.000 0.000 0.210 22 L C 2.602 179.515 176.870 0.071 0.000 1.073 22 L CA 1.339 56.247 54.840 0.113 0.000 0.748 22 L CB -0.497 41.629 42.059 0.111 0.000 0.891 22 L HN 0.143 nan 8.230 nan 0.000 0.431 23 R N 0.508 121.017 120.500 0.015 0.000 2.103 23 R HA -0.189 4.151 4.340 0.000 0.000 0.242 23 R C 1.813 178.099 176.300 -0.025 0.000 1.142 23 R CA 1.839 57.935 56.100 -0.007 0.000 0.960 23 R CB -0.770 29.510 30.300 -0.034 0.000 0.858 23 R HN 0.407 nan 8.270 nan 0.000 0.439 24 D N -0.680 119.673 120.400 -0.078 0.000 2.178 24 D HA -0.142 4.498 4.640 0.000 0.000 0.201 24 D C 1.452 177.652 176.300 -0.166 0.000 0.980 24 D CA 1.024 54.937 54.000 -0.146 0.000 0.842 24 D CB -0.249 40.407 40.800 -0.240 0.000 0.948 24 D HN 0.357 nan 8.370 nan 0.000 0.472 25 H N -0.866 118.206 119.070 0.004 0.000 2.539 25 H HA 0.256 4.812 4.556 0.000 0.000 0.267 25 H C 1.535 176.868 175.328 0.009 0.000 0.982 25 H CA 0.852 56.903 56.048 0.006 0.000 1.146 25 H CB 0.586 30.351 29.762 0.006 0.000 1.382 25 H HN 0.235 nan 8.280 nan 0.000 0.577 26 G N 0.439 109.293 108.800 0.090 0.000 2.176 26 G HA2 -0.270 3.690 3.960 0.000 0.000 0.232 26 G HA3 -0.270 3.690 3.960 0.000 0.000 0.232 26 G C 0.242 175.174 174.900 0.052 0.000 0.986 26 G CA 0.227 45.362 45.100 0.059 0.000 0.643 26 G HN 0.213 nan 8.290 nan 0.000 0.522 27 V N 1.057 121.009 119.914 0.064 0.000 2.521 27 V HA 0.521 4.641 4.120 0.000 0.000 0.286 27 V C 1.582 177.688 176.094 0.019 0.000 1.034 27 V CA 1.277 63.607 62.300 0.050 0.000 1.045 27 V CB 1.311 33.176 31.823 0.070 0.000 0.974 27 V HN 0.632 nan 8.190 nan 0.000 0.480 28 G N 4.644 113.442 108.800 -0.003 0.000 2.944 28 G HA2 0.178 4.138 3.960 0.000 0.000 0.220 28 G HA3 0.178 4.138 3.960 0.000 0.000 0.220 28 G C 0.439 175.286 174.900 -0.088 0.000 1.100 28 G CA -0.113 44.968 45.100 -0.031 0.000 0.780 28 G HN 0.495 nan 8.290 nan 0.000 0.539 29 K N 0.558 120.876 120.400 -0.136 0.000 2.422 29 K HA 0.616 4.936 4.320 0.000 0.000 0.251 29 K C -1.557 174.840 176.600 -0.338 0.000 0.933 29 K CA -0.656 55.429 56.287 -0.336 0.000 0.798 29 K CB 2.963 35.122 32.500 -0.569 0.000 1.238 29 K HN -0.129 nan 8.250 nan 0.000 0.428 30 V N 3.527 123.156 119.914 -0.476 0.000 2.376 30 V HA 0.395 4.515 4.120 0.000 0.000 0.287 30 V C -0.771 174.820 176.094 -0.839 0.000 1.015 30 V CA -0.839 61.217 62.300 -0.407 0.000 0.834 30 V CB 0.473 32.166 31.823 -0.216 0.000 1.001 30 V HN 0.523 nan 8.190 nan 0.000 0.428 31 F N 3.196 122.885 119.950 -0.435 0.000 2.396 31 F HA 0.817 5.344 4.527 0.000 0.000 0.343 31 F C 1.050 176.597 175.800 -0.422 0.000 1.104 31 F CA 0.463 58.171 58.000 -0.487 0.000 1.161 31 F CB 1.624 40.468 39.000 -0.261 0.000 1.146 31 F HN 0.695 nan 8.300 nan 0.000 0.522 32 G N 0.911 109.529 108.800 -0.302 0.000 2.325 32 G HA2 0.462 4.422 3.960 0.000 0.000 0.295 32 G HA3 0.462 4.422 3.960 0.000 0.000 0.295 32 G C -2.348 172.744 174.900 0.320 0.000 1.274 32 G CA -0.764 44.399 45.100 0.105 0.000 0.857 32 G HN 0.459 nan 8.290 nan 0.000 0.499 33 V N 0.428 120.604 119.914 0.438 0.000 2.525 33 V HA 0.551 4.671 4.120 0.000 0.000 0.299 33 V C -0.015 176.303 176.094 0.373 0.000 1.034 33 V CA -0.668 61.835 62.300 0.339 0.000 0.863 33 V CB 1.374 33.304 31.823 0.179 0.000 0.999 33 V HN 0.740 nan 8.190 nan 0.000 0.423 34 V N 4.115 124.143 119.914 0.191 0.000 2.546 34 V HA 0.760 4.880 4.120 0.000 0.000 0.284 34 V C 0.955 177.136 176.094 0.145 0.000 1.050 34 V CA 0.399 62.787 62.300 0.146 0.000 0.981 34 V CB 1.283 33.002 31.823 -0.175 0.000 0.990 34 V HN 0.948 nan 8.190 nan 0.000 0.474 35 G N 3.319 112.243 108.800 0.208 0.000 2.890 35 G HA2 0.338 4.298 3.960 0.000 0.000 0.189 35 G HA3 0.338 4.298 3.960 0.000 0.000 0.189 35 G C 0.768 175.736 174.900 0.113 0.000 1.342 35 G CA -0.276 44.906 45.100 0.137 0.000 1.026 35 G HN 0.751 nan 8.290 nan 0.000 0.579 36 R N -0.031 120.525 120.500 0.094 0.000 2.285 36 R HA -0.008 4.332 4.340 0.000 0.000 0.213 36 R C 1.610 177.957 176.300 0.078 0.000 1.068 36 R CA 1.696 57.840 56.100 0.074 0.000 1.004 36 R CB -0.231 30.111 30.300 0.069 0.000 0.873 36 R HN 0.549 nan 8.270 nan 0.000 0.467 37 E N 1.513 121.785 120.200 0.120 0.000 2.463 37 E HA -0.151 4.199 4.350 0.000 0.000 0.201 37 E C 1.437 178.084 176.600 0.078 0.000 1.045 37 E CA 1.107 57.588 56.400 0.135 0.000 0.872 37 E CB -0.042 29.813 29.700 0.258 0.000 0.797 37 E HN 0.506 nan 8.360 nan 0.000 0.538 38 A N 1.674 124.522 122.820 0.045 0.000 2.024 38 A HA 0.014 4.334 4.320 0.000 0.000 0.220 38 A C 2.483 180.041 177.584 -0.043 0.000 1.164 38 A CA 1.675 53.695 52.037 -0.029 0.000 0.643 38 A CB -0.596 18.388 19.000 -0.026 0.000 0.806 38 A HN 0.433 nan 8.150 nan 0.000 0.451 39 A N -0.942 121.872 122.820 -0.009 0.000 2.024 39 A HA -0.040 4.280 4.320 0.000 0.000 0.220 39 A C 2.257 179.828 177.584 -0.022 0.000 1.164 39 A CA 2.070 54.101 52.037 -0.010 0.000 0.643 39 A CB -0.395 18.612 19.000 0.012 0.000 0.806 39 A HN 0.447 nan 8.150 nan 0.000 0.451 40 S N -2.096 113.589 115.700 -0.025 0.000 2.506 40 S HA 0.395 4.865 4.470 0.000 0.000 0.219 40 S C 0.279 174.816 174.600 -0.105 0.000 1.031 40 S CA -0.038 58.141 58.200 -0.035 0.000 0.911 40 S CB 0.189 63.394 63.200 0.009 0.000 0.812 40 S HN 0.490 nan 8.310 nan 0.000 0.497 41 I N 1.069 121.526 120.570 -0.188 0.000 2.548 41 I HA 0.334 4.504 4.170 0.000 0.000 0.287 41 I C -0.145 175.677 176.117 -0.491 0.000 1.103 41 I CA -0.523 60.521 61.300 -0.426 0.000 1.049 41 I CB 1.371 38.960 38.000 -0.685 0.000 1.232 41 I HN 0.035 nan 8.210 nan 0.000 0.429 42 L N 6.850 127.824 121.223 -0.415 0.000 2.202 42 L HA 0.222 4.562 4.340 0.000 0.000 0.205 42 L C 0.299 177.060 176.870 -0.183 0.000 1.083 42 L CA 0.801 55.493 54.840 -0.247 0.000 0.790 42 L CB 0.058 42.034 42.059 -0.137 0.000 0.942 42 L HN 0.827 nan 8.230 nan 0.000 0.452 43 F N -0.454 119.370 119.950 -0.210 0.000 2.359 43 F HA -0.197 4.330 4.527 0.000 0.000 0.297 43 F C 0.641 176.386 175.800 -0.091 0.000 0.635 43 F CA 0.570 58.463 58.000 -0.178 0.000 1.791 43 F CB -1.757 37.097 39.000 -0.242 0.000 2.250 43 F HN 0.345 nan 8.300 nan 0.000 0.294 44 D N -0.738 119.669 120.400 0.013 0.000 2.501 44 D HA 0.190 4.830 4.640 0.000 0.000 0.224 44 D C 1.192 177.495 176.300 0.005 0.000 1.202 44 D CA 0.220 54.230 54.000 0.016 0.000 0.829 44 D CB 0.020 40.824 40.800 0.006 0.000 1.023 44 D HN 0.301 nan 8.370 nan 0.000 0.499 45 E N -0.270 119.922 120.200 -0.014 0.000 2.274 45 E HA 0.081 4.431 4.350 0.000 0.000 0.194 45 E C 0.069 176.720 176.600 0.086 0.000 0.996 45 E CA 0.578 57.005 56.400 0.044 0.000 0.840 45 E CB 0.527 30.252 29.700 0.042 0.000 0.772 45 E HN 0.116 nan 8.360 nan 0.000 0.491 46 V N 1.069 120.986 119.914 0.005 0.000 2.525 46 V HA 0.412 4.532 4.120 0.000 0.000 0.299 46 V C -0.144 175.948 176.094 -0.002 0.000 1.034 46 V CA -0.641 61.643 62.300 -0.027 0.000 0.863 46 V CB 1.180 32.925 31.823 -0.130 0.000 0.999 46 V HN 0.162 nan 8.190 nan 0.000 0.423 47 E N 2.085 122.291 120.200 0.010 0.000 2.384 47 E HA 0.465 4.815 4.350 0.000 0.000 0.266 47 E C 1.335 177.935 176.600 -0.001 0.000 1.012 47 E CA 0.343 56.748 56.400 0.008 0.000 0.901 47 E CB 0.630 30.337 29.700 0.013 0.000 0.967 47 E HN 2.193 nan 8.360 nan 0.000 0.435 48 G N 0.971 109.771 108.800 -0.002 0.000 2.175 48 G HA2 -0.180 3.780 3.960 0.000 0.000 0.244 48 G HA3 -0.180 3.780 3.960 0.000 0.000 0.244 48 G C 0.291 175.184 174.900 -0.012 0.000 0.982 48 G CA 0.135 45.231 45.100 -0.007 0.000 0.641 48 G HN 0.768 nan 8.290 nan 0.000 0.527 49 I N 1.994 122.561 120.570 -0.006 0.000 2.410 49 I HA 0.327 4.497 4.170 0.000 0.000 0.286 49 I C -0.985 175.133 176.117 0.002 0.000 1.009 49 I CA -0.624 60.674 61.300 -0.005 0.000 1.111 49 I CB 1.463 39.477 38.000 0.023 0.000 1.262 49 I HN 0.014 nan 8.210 nan 0.000 0.443 50 D N 6.052 126.423 120.400 -0.050 0.000 2.198 50 D HA 0.293 4.934 4.640 0.000 0.000 0.247 50 D C -0.748 175.477 176.300 -0.125 0.000 1.010 50 D CA -0.316 53.651 54.000 -0.055 0.000 0.880 50 D CB 2.782 43.528 40.800 -0.090 0.000 1.209 50 D HN 0.178 nan 8.370 nan 0.000 0.451 51 F N 1.368 121.179 119.950 -0.232 0.000 2.396 51 F HA 0.217 4.744 4.527 0.000 0.000 0.343 51 F C -0.215 175.395 175.800 -0.317 0.000 1.104 51 F CA -0.380 57.388 58.000 -0.386 0.000 1.161 51 F CB 0.940 39.645 39.000 -0.491 0.000 1.146 51 F HN -0.025 nan 8.300 nan 0.000 0.522 52 V N 7.802 127.189 119.914 -0.878 0.000 2.304 52 V HA 0.216 4.336 4.120 0.000 0.000 0.278 52 V C -0.524 175.303 176.094 -0.444 0.000 1.018 52 V CA -0.864 61.117 62.300 -0.532 0.000 0.814 52 V CB 0.961 32.391 31.823 -0.655 0.000 1.021 52 V HN 0.579 nan 8.190 nan 0.000 0.440 53 L N 6.504 127.705 121.223 -0.037 0.000 2.360 53 L HA 0.592 4.932 4.340 0.000 0.000 0.276 53 L C 0.738 177.654 176.870 0.076 0.000 1.121 53 L CA 0.921 55.854 54.840 0.156 0.000 0.845 53 L CB 1.174 43.368 42.059 0.225 0.000 1.143 53 L HN 0.877 nan 8.230 nan 0.000 0.452 54 T N 1.958 116.567 114.554 0.091 0.000 2.937 54 T HA 0.530 4.880 4.350 0.000 0.000 0.283 54 T C 0.967 175.724 174.700 0.095 0.000 1.012 54 T CA -0.785 61.362 62.100 0.079 0.000 0.997 54 T CB 1.271 70.180 68.868 0.068 0.000 1.136 54 T HN 0.507 nan 8.240 nan 0.000 0.551 55 R N -0.464 120.091 120.500 0.092 0.000 2.223 55 R HA 0.240 4.580 4.340 0.000 0.000 0.198 55 R C 0.533 176.933 176.300 0.165 0.000 0.984 55 R CA 0.501 56.662 56.100 0.102 0.000 1.018 55 R CB -0.554 29.787 30.300 0.069 0.000 0.945 55 R HN 0.775 nan 8.270 nan 0.000 0.479 56 H N -0.517 118.586 119.070 0.055 0.000 2.930 56 H HA 0.151 4.707 4.556 0.000 0.000 0.371 56 H C -0.152 175.234 175.328 0.097 0.000 1.169 56 H CA -0.281 55.814 56.048 0.079 0.000 1.157 56 H CB 2.113 31.927 29.762 0.087 0.000 1.789 56 H HN -0.215 nan 8.280 nan 0.000 0.547 57 E N 2.506 122.584 120.200 -0.203 0.000 2.150 57 E HA -0.116 4.234 4.350 0.000 0.000 0.193 57 E C 1.556 178.221 176.600 0.108 0.000 0.985 57 E CA 1.053 57.429 56.400 -0.040 0.000 0.814 57 E CB -0.063 29.576 29.700 -0.100 0.000 0.752 57 E HN 0.460 nan 8.360 nan 0.000 0.466 58 F N 1.498 121.552 119.950 0.174 0.000 2.091 58 F HA -0.282 4.245 4.527 0.000 0.000 0.299 58 F C 2.037 177.882 175.800 0.075 0.000 1.103 58 F CA 1.859 59.972 58.000 0.188 0.000 1.228 58 F CB -0.753 38.426 39.000 0.298 0.000 0.984 58 F HN -0.073 nan 8.300 nan 0.000 0.477 59 T N 0.808 115.314 114.554 -0.079 0.000 2.759 59 T HA -0.165 4.185 4.350 0.000 0.000 0.269 59 T C 2.214 176.745 174.700 -0.281 0.000 1.042 59 T CA 1.419 63.360 62.100 -0.266 0.000 1.140 59 T CB -0.858 67.978 68.868 -0.055 0.000 0.864 59 T HN 0.415 nan 8.240 nan 0.000 0.455 60 A N 1.459 124.201 122.820 -0.130 0.000 1.858 60 A HA 0.113 4.434 4.320 0.000 0.000 0.216 60 A C 2.661 180.120 177.584 -0.209 0.000 1.190 60 A CA 1.890 53.865 52.037 -0.102 0.000 0.617 60 A CB -1.444 17.577 19.000 0.035 0.000 0.827 60 A HN 0.501 nan 8.150 nan 0.000 0.443 61 G N -0.641 108.062 108.800 -0.162 0.000 2.446 61 G HA2 -0.153 3.807 3.960 0.000 0.000 0.217 61 G HA3 -0.153 3.807 3.960 0.000 0.000 0.217 61 G C 1.514 176.249 174.900 -0.274 0.000 1.168 61 G CA 1.378 46.384 45.100 -0.156 0.000 0.771 61 G HN 0.340 nan 8.290 nan 0.000 0.551 62 V N 1.401 121.056 119.914 -0.431 0.000 2.427 62 V HA -0.059 4.061 4.120 0.000 0.000 0.248 62 V C 3.301 179.092 176.094 -0.505 0.000 1.051 62 V CA 1.828 63.848 62.300 -0.467 0.000 1.048 62 V CB -0.697 30.705 31.823 -0.703 0.000 0.666 62 V HN 0.482 nan 8.190 nan 0.000 0.456 63 A N 0.115 122.561 122.820 -0.622 0.000 1.940 63 A HA -0.139 4.182 4.320 0.000 0.000 0.219 63 A C 2.404 179.462 177.584 -0.877 0.000 1.176 63 A CA 2.132 53.685 52.037 -0.807 0.000 0.631 63 A CB -0.691 17.643 19.000 -1.111 0.000 0.814 63 A HN 0.563 nan 8.150 nan 0.000 0.446 64 A N 0.025 122.374 122.820 -0.785 0.000 1.930 64 A HA -0.133 4.187 4.320 0.000 0.000 0.217 64 A C 1.785 179.227 177.584 -0.236 0.000 1.175 64 A CA 1.982 53.772 52.037 -0.412 0.000 0.627 64 A CB -0.704 18.205 19.000 -0.151 0.000 0.815 64 A HN 0.645 nan 8.150 nan 0.000 0.443 65 D N -0.483 119.778 120.400 -0.233 0.000 2.104 65 D HA -0.146 4.494 4.640 0.000 0.000 0.194 65 D C 1.687 177.881 176.300 -0.177 0.000 0.994 65 D CA 1.876 55.783 54.000 -0.156 0.000 0.830 65 D CB -0.073 40.657 40.800 -0.116 0.000 0.959 65 D HN 0.137 nan 8.370 nan 0.000 0.452 66 V N 0.220 119.991 119.914 -0.237 0.000 2.358 66 V HA -0.140 3.980 4.120 0.000 0.000 0.246 66 V C 2.432 178.402 176.094 -0.207 0.000 1.047 66 V CA 1.314 63.473 62.300 -0.235 0.000 1.035 66 V CB -0.577 31.077 31.823 -0.281 0.000 0.658 66 V HN 0.319 nan 8.190 nan 0.000 0.452 67 L N 0.981 122.087 121.223 -0.194 0.000 2.083 67 L HA -0.081 4.259 4.340 0.000 0.000 0.209 67 L C 2.386 179.213 176.870 -0.072 0.000 1.083 67 L CA 2.303 57.083 54.840 -0.100 0.000 0.752 67 L CB -0.885 41.156 42.059 -0.030 0.000 0.899 67 L HN 0.228 nan 8.230 nan 0.000 0.433 68 A N -0.542 122.226 122.820 -0.087 0.000 1.930 68 A HA -0.205 4.115 4.320 0.000 0.000 0.217 68 A C 2.510 180.035 177.584 -0.098 0.000 1.175 68 A CA 1.497 53.496 52.037 -0.064 0.000 0.627 68 A CB -0.578 18.389 19.000 -0.055 0.000 0.815 68 A HN 0.501 nan 8.150 nan 0.000 0.443 69 R N -0.244 120.146 120.500 -0.183 0.000 2.073 69 R HA -0.078 4.262 4.340 0.000 0.000 0.234 69 R C 1.833 177.926 176.300 -0.345 0.000 1.134 69 R CA 1.967 57.864 56.100 -0.338 0.000 0.952 69 R CB -0.353 29.635 30.300 -0.520 0.000 0.850 69 R HN 0.534 nan 8.270 nan 0.000 0.433 70 I N 0.045 120.477 120.570 -0.231 0.000 2.277 70 I HA -0.178 3.992 4.170 0.000 0.000 0.243 70 I C 2.350 178.502 176.117 0.060 0.000 1.094 70 I CA 1.529 62.802 61.300 -0.045 0.000 1.393 70 I CB -0.291 37.697 38.000 -0.020 0.000 1.078 70 I HN 0.382 nan 8.210 nan 0.000 0.417 71 T N -1.677 112.888 114.554 0.019 0.000 2.995 71 T HA 0.069 4.419 4.350 0.000 0.000 0.269 71 T C 1.711 176.440 174.700 0.049 0.000 1.091 71 T CA 0.679 62.803 62.100 0.040 0.000 1.128 71 T CB -0.221 68.664 68.868 0.028 0.000 0.891 71 T HN 0.529 nan 8.240 nan 0.000 0.492 72 G N 1.648 110.471 108.800 0.038 0.000 2.153 72 G HA2 -0.260 3.701 3.960 0.000 0.000 0.252 72 G HA3 -0.260 3.701 3.960 0.000 0.000 0.252 72 G C 0.064 174.980 174.900 0.027 0.000 0.994 72 G CA 0.180 45.306 45.100 0.044 0.000 0.698 72 G HN 0.734 nan 8.290 nan 0.000 0.521 73 R N -0.216 120.296 120.500 0.019 0.000 2.803 73 R HA 0.497 4.838 4.340 0.000 0.000 0.276 73 R C -2.818 173.488 176.300 0.010 0.000 0.978 73 R CA -2.244 53.867 56.100 0.019 0.000 0.939 73 R CB 1.689 32.008 30.300 0.032 0.000 1.179 73 R HN -0.014 nan 8.270 nan 0.000 0.472 74 P HA -0.030 nan 4.420 nan 0.000 0.265 74 P C -0.783 176.534 177.300 0.028 0.000 1.193 74 P CA 0.234 63.332 63.100 -0.003 0.000 0.765 74 P CB 0.681 32.360 31.700 -0.036 0.000 0.823 75 Q N 1.018 120.839 119.800 0.035 0.000 2.633 75 Q HA 0.842 5.182 4.340 0.000 0.000 0.292 75 Q C -0.912 175.144 176.000 0.093 0.000 1.089 75 Q CA -0.962 54.886 55.803 0.075 0.000 0.811 75 Q CB 2.408 31.192 28.738 0.077 0.000 1.472 75 Q HN 0.423 nan 8.270 nan 0.000 0.464 76 A N 0.217 123.125 122.820 0.147 0.000 2.486 76 A HA 0.788 5.108 4.320 0.000 0.000 0.300 76 A C -0.540 177.169 177.584 0.207 0.000 1.048 76 A CA -0.525 51.607 52.037 0.160 0.000 0.696 76 A CB 0.771 19.864 19.000 0.156 0.000 1.278 76 A HN 0.839 nan 8.150 nan 0.000 0.405 77 C N -0.237 119.180 119.300 0.194 0.000 3.154 77 C HA 0.981 5.441 4.460 0.000 0.000 0.312 77 C C -1.098 174.067 174.990 0.292 0.000 1.349 77 C CA -0.927 58.216 59.018 0.209 0.000 1.518 77 C CB 1.446 29.261 27.740 0.125 0.000 1.934 77 C HN 1.122 nan 8.230 nan 0.000 0.462 78 W N 1.099 122.456 121.300 0.094 0.000 3.274 78 W HA 0.646 5.306 4.660 0.000 0.000 0.327 78 W C -1.092 175.526 176.519 0.166 0.000 1.172 78 W CA 0.015 57.460 57.345 0.166 0.000 1.217 78 W CB 2.146 31.755 29.460 0.248 0.000 1.376 78 W HN 1.325 nan 8.180 nan 0.000 0.507 79 A N 2.505 125.224 122.820 -0.169 0.000 2.593 79 A HA 0.636 4.956 4.320 0.000 0.000 0.290 79 A C -0.769 176.759 177.584 -0.093 0.000 1.126 79 A CA -0.420 51.633 52.037 0.026 0.000 0.695 79 A CB 1.831 20.838 19.000 0.013 0.000 1.290 79 A HN 0.458 nan 8.150 nan 0.000 0.414 80 T N -0.122 114.480 114.554 0.079 0.000 2.771 80 T HA 0.526 4.876 4.350 0.000 0.000 0.290 80 T C 0.659 175.360 174.700 0.001 0.000 1.005 80 T CA 0.054 62.200 62.100 0.077 0.000 0.944 80 T CB -0.095 68.842 68.868 0.116 0.000 1.147 80 T HN 1.143 nan 8.240 nan 0.000 0.534 81 L N -0.001 121.224 121.223 0.002 0.000 2.475 81 L HA 0.616 4.956 4.340 0.000 0.000 0.250 81 L C 1.417 178.270 176.870 -0.028 0.000 1.224 81 L CA -0.096 54.733 54.840 -0.017 0.000 0.821 81 L CB -0.869 41.175 42.059 -0.025 0.000 1.141 81 L HN 0.904 nan 8.230 nan 0.000 0.494 82 G N 0.972 109.752 108.800 -0.033 0.000 2.646 82 G HA2 -0.332 3.628 3.960 0.000 0.000 0.324 82 G HA3 -0.332 3.628 3.960 0.000 0.000 0.324 82 G C -1.110 173.768 174.900 -0.036 0.000 1.195 82 G CA 0.468 45.542 45.100 -0.043 0.000 0.976 82 G HN 0.795 nan 8.290 nan 0.000 0.546 83 P HA 0.047 nan 4.420 nan 0.000 0.225 83 P C 1.954 179.236 177.300 -0.031 0.000 1.156 83 P CA 2.129 65.213 63.100 -0.026 0.000 0.787 83 P CB -0.598 31.091 31.700 -0.017 0.000 0.802 84 G N 1.125 109.910 108.800 -0.025 0.000 2.491 84 G HA2 -0.299 3.661 3.960 0.000 0.000 0.218 84 G HA3 -0.299 3.661 3.960 0.000 0.000 0.218 84 G C 1.548 176.431 174.900 -0.028 0.000 1.180 84 G CA 1.149 46.236 45.100 -0.021 0.000 0.774 84 G HN 0.164 nan 8.290 nan 0.000 0.562 85 M N 1.900 121.485 119.600 -0.024 0.000 2.117 85 M HA -0.112 4.368 4.480 0.000 0.000 0.262 85 M C 2.718 178.975 176.300 -0.071 0.000 1.065 85 M CA 2.527 57.805 55.300 -0.036 0.000 1.114 85 M CB -1.131 31.459 32.600 -0.017 0.000 1.361 85 M HN 0.414 nan 8.290 nan 0.000 0.408 86 T N -1.242 113.279 114.554 -0.056 0.000 2.821 86 T HA -0.078 4.272 4.350 0.000 0.000 0.267 86 T C 1.561 176.254 174.700 -0.012 0.000 1.046 86 T CA 1.472 63.545 62.100 -0.045 0.000 1.139 86 T CB -0.608 68.241 68.868 -0.031 0.000 0.871 86 T HN 0.322 nan 8.240 nan 0.000 0.454 87 N N 1.317 120.008 118.700 -0.015 0.000 2.188 87 N HA 0.085 4.825 4.740 0.000 0.000 0.184 87 N C 1.849 177.390 175.510 0.052 0.000 1.018 87 N CA 0.664 53.715 53.050 0.002 0.000 0.858 87 N CB -0.616 37.745 38.487 -0.211 0.000 0.989 87 N HN 0.317 nan 8.380 nan 0.000 0.426 88 L N 1.069 122.299 121.223 0.010 0.000 2.131 88 L HA -0.145 4.195 4.340 0.000 0.000 0.210 88 L C 2.115 179.010 176.870 0.042 0.000 1.092 88 L CA 1.271 56.133 54.840 0.037 0.000 0.759 88 L CB -0.479 41.590 42.059 0.016 0.000 0.903 88 L HN 0.273 nan 8.230 nan 0.000 0.435 89 S N -1.938 113.760 115.700 -0.004 0.000 2.419 89 S HA -0.178 4.292 4.470 0.000 0.000 0.233 89 S C 1.720 176.344 174.600 0.040 0.000 1.016 89 S CA 1.642 59.821 58.200 -0.036 0.000 0.974 89 S CB -0.527 62.621 63.200 -0.086 0.000 0.786 89 S HN 0.420 nan 8.310 nan 0.000 0.492 90 T N 1.355 115.984 114.554 0.124 0.000 2.904 90 T HA 0.116 4.466 4.350 0.000 0.000 0.267 90 T C 1.956 176.847 174.700 0.320 0.000 1.059 90 T CA 1.162 63.386 62.100 0.207 0.000 1.137 90 T CB -0.892 68.097 68.868 0.201 0.000 0.879 90 T HN 0.638 nan 8.240 nan 0.000 0.467 91 G N 1.376 110.352 108.800 0.292 0.000 2.402 91 G HA2 -0.087 3.873 3.960 0.000 0.000 0.216 91 G HA3 -0.087 3.873 3.960 0.000 0.000 0.216 91 G C 1.507 176.444 174.900 0.062 0.000 1.162 91 G CA 0.293 45.464 45.100 0.119 0.000 0.777 91 G HN 0.477 nan 8.290 nan 0.000 0.539 92 I N 1.398 121.997 120.570 0.048 0.000 2.226 92 I HA -0.187 3.984 4.170 0.000 0.000 0.245 92 I C 3.271 179.402 176.117 0.024 0.000 1.100 92 I CA 0.984 62.295 61.300 0.019 0.000 1.374 92 I CB -0.214 37.769 38.000 -0.028 0.000 1.057 92 I HN 0.245 nan 8.210 nan 0.000 0.413 93 A N 0.325 123.168 122.820 0.039 0.000 1.933 93 A HA -0.185 4.135 4.320 0.000 0.000 0.218 93 A C 2.372 179.984 177.584 0.047 0.000 1.175 93 A CA 2.296 54.353 52.037 0.033 0.000 0.628 93 A CB -0.991 18.032 19.000 0.037 0.000 0.814 93 A HN 0.373 nan 8.150 nan 0.000 0.444 94 T N -0.536 114.071 114.554 0.089 0.000 2.708 94 T HA -0.144 4.206 4.350 0.000 0.000 0.266 94 T C 2.299 177.025 174.700 0.043 0.000 1.037 94 T CA 1.832 63.989 62.100 0.093 0.000 1.146 94 T CB -0.316 68.650 68.868 0.165 0.000 0.865 94 T HN 0.586 nan 8.240 nan 0.000 0.435 95 S N 0.219 115.936 115.700 0.027 0.000 2.383 95 S HA -0.060 4.410 4.470 0.000 0.000 0.227 95 S C 2.147 176.749 174.600 0.003 0.000 1.026 95 S CA 1.028 59.231 58.200 0.006 0.000 0.981 95 S CB -0.475 62.726 63.200 0.001 0.000 0.818 95 S HN 0.267 nan 8.310 nan 0.000 0.472 96 V N 0.815 120.734 119.914 0.008 0.000 2.591 96 V HA 0.117 4.237 4.120 0.000 0.000 0.249 96 V C 2.061 178.152 176.094 -0.005 0.000 1.053 96 V CA 1.513 63.815 62.300 0.004 0.000 1.068 96 V CB -0.230 31.596 31.823 0.006 0.000 0.689 96 V HN 0.545 nan 8.190 nan 0.000 0.462 97 L N -0.737 120.480 121.223 -0.009 0.000 2.202 97 L HA 0.059 4.399 4.340 0.000 0.000 0.205 97 L C 2.029 178.876 176.870 -0.038 0.000 1.083 97 L CA 1.032 55.857 54.840 -0.026 0.000 0.790 97 L CB -0.333 41.707 42.059 -0.033 0.000 0.942 97 L HN 0.258 nan 8.230 nan 0.000 0.452 98 D N 0.058 120.440 120.400 -0.031 0.000 2.317 98 D HA -0.011 4.629 4.640 0.000 0.000 0.211 98 D C -0.160 176.122 176.300 -0.032 0.000 0.966 98 D CA 0.275 54.252 54.000 -0.039 0.000 0.876 98 D CB 0.210 40.994 40.800 -0.028 0.000 0.927 98 D HN -0.030 nan 8.370 nan 0.000 0.519 99 R N 0.179 120.665 120.500 -0.024 0.000 2.168 99 R HA -0.085 4.255 4.340 0.000 0.000 0.364 99 R C -0.777 175.506 176.300 -0.028 0.000 1.103 99 R CA 0.123 56.212 56.100 -0.019 0.000 0.832 99 R CB -3.026 27.266 30.300 -0.014 0.000 2.561 99 R HN 0.319 nan 8.270 nan 0.000 0.484 100 S N 0.416 116.099 115.700 -0.028 0.000 2.536 100 S HA 0.736 5.206 4.470 0.000 0.000 0.271 100 S C -2.869 171.715 174.600 -0.026 0.000 1.134 100 S CA -1.594 56.582 58.200 -0.040 0.000 0.897 100 S CB 3.654 66.817 63.200 -0.063 0.000 1.094 100 S HN 0.195 nan 8.310 nan 0.000 0.473 101 P HA 0.341 nan 4.420 nan 0.000 0.268 101 P C -0.921 176.371 177.300 -0.014 0.000 1.541 101 P CA -0.264 62.824 63.100 -0.021 0.000 1.093 101 P CB 0.448 32.131 31.700 -0.028 0.000 1.551 102 V N 5.717 125.632 119.914 0.002 0.000 2.448 102 V HA 0.302 4.422 4.120 0.000 0.000 0.295 102 V C 0.398 176.520 176.094 0.046 0.000 1.025 102 V CA -0.770 61.542 62.300 0.019 0.000 0.859 102 V CB 2.167 33.998 31.823 0.012 0.000 0.988 102 V HN 0.307 nan 8.190 nan 0.000 0.431 103 I N 4.401 125.006 120.570 0.059 0.000 2.291 103 I HA 0.497 4.667 4.170 0.000 0.000 0.292 103 I C 0.652 176.838 176.117 0.115 0.000 1.064 103 I CA -0.287 61.062 61.300 0.081 0.000 1.269 103 I CB 0.807 38.849 38.000 0.070 0.000 1.418 103 I HN 0.672 nan 8.210 nan 0.000 0.485 104 A N 8.260 131.167 122.820 0.145 0.000 2.290 104 A HA 0.808 5.128 4.320 0.000 0.000 0.310 104 A C -0.386 177.272 177.584 0.122 0.000 1.202 104 A CA -0.428 51.719 52.037 0.184 0.000 0.837 104 A CB 0.631 19.788 19.000 0.262 0.000 1.139 104 A HN 0.687 nan 8.150 nan 0.000 0.509 105 L N 1.979 123.206 121.223 0.006 0.000 2.385 105 L HA 0.772 5.112 4.340 0.000 0.000 0.273 105 L C 0.107 176.661 176.870 -0.526 0.000 0.990 105 L CA -0.366 54.297 54.840 -0.295 0.000 0.821 105 L CB 2.120 44.065 42.059 -0.191 0.000 1.279 105 L HN 0.798 nan 8.230 nan 0.000 0.412 106 A N 2.101 124.599 122.820 -0.536 0.000 2.449 106 A HA 0.907 5.227 4.320 0.000 0.000 0.302 106 A C -0.420 176.917 177.584 -0.412 0.000 1.048 106 A CA -0.412 51.362 52.037 -0.439 0.000 0.708 106 A CB 1.650 20.680 19.000 0.050 0.000 1.274 106 A HN 0.764 nan 8.150 nan 0.000 0.410 107 A N 0.662 123.286 122.820 -0.327 0.000 2.327 107 A HA 0.621 4.941 4.320 0.000 0.000 0.255 107 A C 0.141 177.683 177.584 -0.070 0.000 1.099 107 A CA 0.229 52.190 52.037 -0.127 0.000 0.801 107 A CB 0.513 19.533 19.000 0.033 0.000 1.062 107 A HN 1.209 nan 8.150 nan 0.000 0.496 108 Q N -0.473 119.300 119.800 -0.044 0.000 2.511 108 Q HA 0.516 4.856 4.340 0.000 0.000 0.289 108 Q C -0.543 175.437 176.000 -0.035 0.000 1.021 108 Q CA -0.324 55.457 55.803 -0.038 0.000 0.785 108 Q CB 1.598 30.305 28.738 -0.050 0.000 1.472 108 Q HN 0.745 nan 8.270 nan 0.000 0.411 109 S N 1.526 117.198 115.700 -0.047 0.000 2.559 109 S HA 0.057 4.528 4.470 0.000 0.000 0.282 109 S C -0.547 174.003 174.600 -0.084 0.000 1.336 109 S CA -0.110 58.054 58.200 -0.060 0.000 1.037 109 S CB 0.054 63.211 63.200 -0.071 0.000 0.853 109 S HN 0.552 nan 8.310 nan 0.000 0.523 110 E N 1.687 121.826 120.200 -0.102 0.000 2.568 110 E HA -0.030 4.320 4.350 0.000 0.000 0.262 110 E C 1.391 177.875 176.600 -0.192 0.000 0.961 110 E CA 0.528 56.855 56.400 -0.122 0.000 0.945 110 E CB 0.310 29.898 29.700 -0.187 0.000 0.924 110 E HN 0.643 nan 8.360 nan 0.000 0.467 111 S N 3.537 119.197 115.700 -0.066 0.000 2.372 111 S HA -0.332 4.138 4.470 0.000 0.000 0.227 111 S C 1.720 176.253 174.600 -0.112 0.000 1.044 111 S CA 1.869 60.032 58.200 -0.061 0.000 1.050 111 S CB -0.648 62.562 63.200 0.016 0.000 0.901 111 S HN 0.789 nan 8.310 nan 0.000 0.447 112 H N -0.027 118.994 119.070 -0.082 0.000 2.559 112 H HA 0.213 4.769 4.556 0.000 0.000 0.273 112 H C 0.519 175.770 175.328 -0.127 0.000 1.000 112 H CA 1.229 57.227 56.048 -0.084 0.000 1.195 112 H CB -0.410 29.341 29.762 -0.018 0.000 1.368 112 H HN 0.500 nan 8.280 nan 0.000 0.592 113 D N 0.511 120.587 120.400 -0.540 0.000 2.501 113 D HA 0.208 4.848 4.640 0.000 0.000 0.224 113 D C -0.164 175.908 176.300 -0.379 0.000 1.202 113 D CA -0.324 53.462 54.000 -0.357 0.000 0.829 113 D CB -0.132 40.476 40.800 -0.319 0.000 1.023 113 D HN 0.260 nan 8.370 nan 0.000 0.499 114 I N 1.520 121.768 120.570 -0.537 0.000 2.389 114 I HA 0.126 4.296 4.170 0.000 0.000 0.295 114 I C -0.601 175.133 176.117 -0.639 0.000 1.117 114 I CA 0.123 61.174 61.300 -0.415 0.000 1.317 114 I CB 0.005 37.838 38.000 -0.278 0.000 1.431 114 I HN -0.088 nan 8.210 nan 0.000 0.521 115 F N 7.477 127.412 119.950 -0.024 0.000 2.824 115 F HA 0.376 4.903 4.527 0.000 0.000 0.375 115 F C -2.300 173.493 175.800 -0.011 0.000 1.190 115 F CA -2.687 55.305 58.000 -0.013 0.000 1.180 115 F CB 0.804 39.800 39.000 -0.008 0.000 1.477 115 F HN 0.246 nan 8.300 nan 0.000 0.542 116 P HA 0.096 nan 4.420 nan 0.000 0.264 116 P C 0.077 177.421 177.300 0.073 0.000 1.193 116 P CA 0.629 63.768 63.100 0.065 0.000 0.763 116 P CB 0.432 32.152 31.700 0.034 0.000 0.810 117 N N 1.009 119.740 118.700 0.051 0.000 2.878 117 N HA -0.154 4.586 4.740 0.000 0.000 0.247 117 N C 0.142 175.681 175.510 0.049 0.000 1.021 117 N CA 1.267 54.341 53.050 0.041 0.000 0.873 117 N CB -1.475 37.029 38.487 0.030 0.000 1.128 117 N HN 0.522 nan 8.380 nan 0.000 0.571 118 D N -1.068 119.377 120.400 0.076 0.000 2.954 118 D HA 0.068 4.708 4.640 0.000 0.000 0.266 118 D C 0.103 176.458 176.300 0.091 0.000 1.277 118 D CA 0.553 54.591 54.000 0.064 0.000 1.130 118 D CB -0.051 40.770 40.800 0.036 0.000 1.440 118 D HN 0.004 nan 8.370 nan 0.000 0.427 119 T N 1.401 116.045 114.554 0.151 0.000 2.928 119 T HA -0.034 4.316 4.350 0.000 0.000 0.305 119 T C 0.204 174.980 174.700 0.126 0.000 1.035 119 T CA 0.215 62.409 62.100 0.158 0.000 1.145 119 T CB 0.297 69.272 68.868 0.179 0.000 0.963 119 T HN 0.089 nan 8.240 nan 0.000 0.545 120 H N 3.252 122.348 119.070 0.043 0.000 3.192 120 H HA -0.034 4.522 4.556 0.000 0.000 0.295 120 H C 1.129 176.473 175.328 0.027 0.000 0.943 120 H CA 1.104 57.170 56.048 0.030 0.000 1.416 120 H CB -0.159 29.619 29.762 0.026 0.000 1.434 120 H HN 0.789 nan 8.280 nan 0.000 0.565 121 Q N 1.316 120.901 119.800 -0.358 0.000 2.416 121 Q HA -0.273 4.067 4.340 0.000 0.000 0.235 121 Q C -0.318 175.606 176.000 -0.126 0.000 0.773 121 Q CA 1.073 56.695 55.803 -0.302 0.000 1.286 121 Q CB -1.818 26.661 28.738 -0.432 0.000 1.556 121 Q HN 0.617 nan 8.270 nan 0.000 0.650 122 C N 1.530 120.794 119.300 -0.060 0.000 2.303 122 C HA 0.614 5.074 4.460 0.000 0.000 0.341 122 C C 0.317 175.301 174.990 -0.010 0.000 1.244 122 C CA -0.466 58.538 59.018 -0.024 0.000 1.765 122 C CB -0.495 27.251 27.740 0.009 0.000 2.379 122 C HN 0.315 nan 8.230 nan 0.000 0.530 123 L N 4.518 125.731 121.223 -0.016 0.000 2.319 123 L HA 0.436 4.776 4.340 0.000 0.000 0.267 123 L C 0.078 176.944 176.870 -0.006 0.000 1.011 123 L CA -0.542 54.292 54.840 -0.011 0.000 0.818 123 L CB 1.176 43.222 42.059 -0.021 0.000 1.316 123 L HN 0.478 nan 8.230 nan 0.000 0.432 124 D N 0.420 120.817 120.400 -0.006 0.000 2.545 124 D HA 0.069 4.709 4.640 0.000 0.000 0.227 124 D C 0.904 177.202 176.300 -0.003 0.000 1.150 124 D CA 0.222 54.219 54.000 -0.004 0.000 1.046 124 D CB 0.641 41.438 40.800 -0.005 0.000 1.098 124 D HN 0.445 nan 8.370 nan 0.000 0.502 125 S N 0.903 116.618 115.700 0.026 0.000 2.359 125 S HA -0.144 4.326 4.470 0.000 0.000 0.224 125 S C 2.165 176.786 174.600 0.034 0.000 1.035 125 S CA 0.763 58.987 58.200 0.040 0.000 1.018 125 S CB 0.039 63.366 63.200 0.212 0.000 0.876 125 S HN 0.438 nan 8.310 nan 0.000 0.448 126 V N 1.931 121.923 119.914 0.131 0.000 2.343 126 V HA -0.206 3.914 4.120 0.000 0.000 0.247 126 V C 2.609 178.705 176.094 0.004 0.000 1.051 126 V CA 1.721 64.090 62.300 0.115 0.000 1.036 126 V CB -1.180 30.683 31.823 0.067 0.000 0.654 126 V HN 0.556 nan 8.190 nan 0.000 0.451 127 A N -0.403 122.408 122.820 -0.014 0.000 1.969 127 A HA -0.097 4.224 4.320 0.000 0.000 0.218 127 A C 2.160 179.712 177.584 -0.053 0.000 1.169 127 A CA 1.546 53.565 52.037 -0.030 0.000 0.635 127 A CB -0.453 18.534 19.000 -0.022 0.000 0.810 127 A HN 0.512 nan 8.150 nan 0.000 0.445 128 I N -0.788 119.737 120.570 -0.076 0.000 2.286 128 I HA -0.151 4.019 4.170 0.000 0.000 0.245 128 I C 2.011 178.038 176.117 -0.150 0.000 1.104 128 I CA 0.958 62.195 61.300 -0.104 0.000 1.397 128 I CB 0.024 37.956 38.000 -0.114 0.000 1.072 128 I HN 0.139 nan 8.210 nan 0.000 0.417 129 V N 0.338 120.116 119.914 -0.227 0.000 3.174 129 V HA 0.058 4.178 4.120 0.000 0.000 0.254 129 V C 2.481 178.485 176.094 -0.149 0.000 1.120 129 V CA 1.069 63.188 62.300 -0.301 0.000 1.114 129 V CB -0.159 31.209 31.823 -0.758 0.000 0.756 129 V HN 0.386 nan 8.190 nan 0.000 0.467 130 A N 1.286 124.056 122.820 -0.084 0.000 1.917 130 A HA -0.138 4.182 4.320 0.000 0.000 0.219 130 A C 0.436 178.002 177.584 -0.030 0.000 1.182 130 A CA 2.123 54.138 52.037 -0.037 0.000 0.633 130 A CB -1.763 17.219 19.000 -0.031 0.000 0.819 130 A HN 0.558 nan 8.150 nan 0.000 0.448 131 P HA -0.050 nan 4.420 nan 0.000 0.226 131 P C 1.033 178.318 177.300 -0.025 0.000 1.153 131 P CA 1.169 64.252 63.100 -0.027 0.000 0.777 131 P CB -0.106 31.575 31.700 -0.032 0.000 0.794 132 M N -2.859 116.719 119.600 -0.037 0.000 2.685 132 M HA 0.389 4.869 4.480 0.000 0.000 0.355 132 M C -0.302 175.988 176.300 -0.016 0.000 1.197 132 M CA -0.397 54.886 55.300 -0.029 0.000 0.947 132 M CB 0.477 33.050 32.600 -0.044 0.000 1.346 132 M HN -0.257 nan 8.290 nan 0.000 0.516 133 S N -1.264 114.438 115.700 0.002 0.000 2.651 133 S HA 0.586 5.056 4.470 0.000 0.000 0.279 133 S C 0.266 174.903 174.600 0.062 0.000 1.148 133 S CA -0.956 57.267 58.200 0.039 0.000 0.837 133 S CB 1.702 64.940 63.200 0.062 0.000 1.138 133 S HN 0.163 nan 8.310 nan 0.000 0.478 134 K N -0.333 120.124 120.400 0.094 0.000 2.365 134 K HA 0.240 4.560 4.320 0.000 0.000 0.197 134 K C -0.561 176.156 176.600 0.196 0.000 1.042 134 K CA 0.816 57.169 56.287 0.109 0.000 0.987 134 K CB -0.437 32.115 32.500 0.086 0.000 0.779 134 K HN 0.726 nan 8.250 nan 0.000 0.484 135 Y N -1.030 119.293 120.300 0.038 0.000 2.522 135 Y HA 0.399 4.949 4.550 0.000 0.000 0.326 135 Y C -2.176 173.775 175.900 0.085 0.000 1.198 135 Y CA -1.098 57.028 58.100 0.042 0.000 1.112 135 Y CB 1.118 39.593 38.460 0.025 0.000 1.342 135 Y HN -0.072 nan 8.280 nan 0.000 0.460 136 A N 4.666 127.262 122.820 -0.374 0.000 2.491 136 A HA 0.771 5.091 4.320 0.000 0.000 0.293 136 A C -2.247 175.120 177.584 -0.362 0.000 1.047 136 A CA -0.253 51.691 52.037 -0.155 0.000 0.735 136 A CB 1.401 20.443 19.000 0.069 0.000 1.281 136 A HN 1.389 nan 8.150 nan 0.000 0.398 137 V N 1.378 121.109 119.914 -0.304 0.000 3.178 137 V HA 0.684 4.804 4.120 0.000 0.000 0.302 137 V C -1.206 174.764 176.094 -0.206 0.000 1.262 137 V CA -0.480 61.651 62.300 -0.280 0.000 1.030 137 V CB 2.096 33.706 31.823 -0.356 0.000 1.074 137 V HN 1.025 nan 8.190 nan 0.000 0.438 138 E N 3.241 123.354 120.200 -0.145 0.000 2.158 138 E HA 0.443 4.794 4.350 0.000 0.000 0.271 138 E C -1.151 175.386 176.600 -0.106 0.000 0.911 138 E CA -0.874 55.447 56.400 -0.131 0.000 0.767 138 E CB 1.803 31.450 29.700 -0.088 0.000 1.120 138 E HN 0.670 nan 8.360 nan 0.000 0.405 139 L N 4.289 125.449 121.223 -0.106 0.000 2.540 139 L HA -0.036 4.304 4.340 0.000 0.000 0.276 139 L C 0.474 177.307 176.870 -0.062 0.000 1.212 139 L CA 1.252 56.046 54.840 -0.076 0.000 0.893 139 L CB 0.571 42.591 42.059 -0.066 0.000 1.138 139 L HN 0.764 nan 8.230 nan 0.000 0.491 140 Q N 3.377 123.142 119.800 -0.058 0.000 2.477 140 Q HA 0.304 4.644 4.340 0.000 0.000 0.252 140 Q C -0.140 175.837 176.000 -0.039 0.000 0.869 140 Q CA 0.101 55.877 55.803 -0.045 0.000 0.969 140 Q CB 0.797 29.509 28.738 -0.043 0.000 1.144 140 Q HN 0.574 nan 8.270 nan 0.000 0.577 141 R N 0.565 121.026 120.500 -0.065 0.000 2.451 141 R HA 0.238 4.578 4.340 0.000 0.000 0.307 141 R C -2.213 174.031 176.300 -0.093 0.000 0.965 141 R CA -1.824 54.236 56.100 -0.067 0.000 0.865 141 R CB 1.490 31.730 30.300 -0.100 0.000 1.174 141 R HN -0.096 nan 8.270 nan 0.000 0.455 142 P HA -0.292 nan 4.420 nan 0.000 0.217 142 P C 0.945 178.253 177.300 0.012 0.000 1.158 142 P CA 1.470 64.576 63.100 0.010 0.000 0.887 142 P CB -0.008 31.721 31.700 0.049 0.000 0.792 143 H N -0.388 118.693 119.070 0.019 0.000 2.545 143 H HA 0.014 4.570 4.556 0.000 0.000 0.282 143 H C 1.080 176.424 175.328 0.025 0.000 1.020 143 H CA 0.984 57.045 56.048 0.023 0.000 1.243 143 H CB -0.520 29.253 29.762 0.018 0.000 1.377 143 H HN 0.245 nan 8.280 nan 0.000 0.581 144 E N 0.245 120.184 120.200 -0.435 0.000 2.481 144 E HA -0.023 4.327 4.350 0.000 0.000 0.195 144 E C 1.800 178.351 176.600 -0.083 0.000 1.047 144 E CA 0.082 56.313 56.400 -0.282 0.000 0.867 144 E CB 0.065 29.588 29.700 -0.295 0.000 0.858 144 E HN 0.285 nan 8.360 nan 0.000 0.513 145 I N 1.281 121.825 120.570 -0.042 0.000 2.315 145 I HA -0.291 3.879 4.170 0.000 0.000 0.251 145 I C 1.945 178.081 176.117 0.030 0.000 1.125 145 I CA 1.631 62.934 61.300 0.005 0.000 1.392 145 I CB -0.392 37.622 38.000 0.024 0.000 1.065 145 I HN 0.000 nan 8.210 nan 0.000 0.424 146 T N 0.719 115.295 114.554 0.038 0.000 2.652 146 T HA -0.212 4.138 4.350 0.000 0.000 0.267 146 T C 1.413 176.143 174.700 0.050 0.000 1.039 146 T CA 1.890 64.020 62.100 0.049 0.000 1.153 146 T CB -0.561 68.342 68.868 0.058 0.000 0.863 146 T HN 0.703 nan 8.240 nan 0.000 0.428 147 D N 0.939 121.362 120.400 0.038 0.000 2.224 147 D HA -0.022 4.618 4.640 0.000 0.000 0.205 147 D C 1.981 178.300 176.300 0.030 0.000 0.965 147 D CA 0.621 54.642 54.000 0.035 0.000 0.852 147 D CB -0.637 40.182 40.800 0.032 0.000 0.947 147 D HN 0.336 nan 8.370 nan 0.000 0.494 148 L N 0.213 121.460 121.223 0.041 0.000 2.109 148 L HA -0.069 4.271 4.340 0.000 0.000 0.207 148 L C 2.462 179.357 176.870 0.041 0.000 1.086 148 L CA 0.528 55.417 54.840 0.082 0.000 0.760 148 L CB -0.276 41.833 42.059 0.084 0.000 0.910 148 L HN 0.059 nan 8.230 nan 0.000 0.437 149 V N -0.107 119.833 119.914 0.043 0.000 2.407 149 V HA -0.274 3.846 4.120 0.000 0.000 0.248 149 V C 2.082 178.180 176.094 0.006 0.000 1.055 149 V CA 1.797 64.123 62.300 0.045 0.000 1.049 149 V CB -0.498 31.389 31.823 0.106 0.000 0.662 149 V HN 0.425 nan 8.190 nan 0.000 0.455 150 D N 0.013 120.443 120.400 0.051 0.000 2.117 150 D HA -0.111 4.529 4.640 0.000 0.000 0.197 150 D C 2.439 178.661 176.300 -0.131 0.000 0.987 150 D CA 1.654 55.683 54.000 0.048 0.000 0.829 150 D CB -0.262 40.592 40.800 0.091 0.000 0.961 150 D HN 0.369 nan 8.370 nan 0.000 0.460 151 S N 0.408 115.986 115.700 -0.204 0.000 2.402 151 S HA -0.069 4.401 4.470 0.000 0.000 0.229 151 S C 2.061 176.192 174.600 -0.781 0.000 1.021 151 S CA 0.872 58.819 58.200 -0.422 0.000 0.974 151 S CB -0.109 62.858 63.200 -0.388 0.000 0.800 151 S HN 0.352 nan 8.310 nan 0.000 0.484 152 A N 1.368 123.759 122.820 -0.715 0.000 1.858 152 A HA -0.067 4.253 4.320 0.000 0.000 0.216 152 A C 2.341 179.748 177.584 -0.295 0.000 1.190 152 A CA 1.646 53.380 52.037 -0.506 0.000 0.617 152 A CB -1.066 17.857 19.000 -0.128 0.000 0.827 152 A HN 0.327 nan 8.150 nan 0.000 0.443 153 V N 1.030 120.779 119.914 -0.275 0.000 2.287 153 V HA -0.301 3.819 4.120 0.000 0.000 0.248 153 V C 2.383 178.341 176.094 -0.226 0.000 1.053 153 V CA 2.259 64.384 62.300 -0.291 0.000 1.027 153 V CB -1.086 30.395 31.823 -0.570 0.000 0.646 153 V HN 0.557 nan 8.190 nan 0.000 0.447 154 N N 0.545 119.112 118.700 -0.222 0.000 2.061 154 N HA -0.173 4.567 4.740 0.000 0.000 0.193 154 N C 1.813 177.246 175.510 -0.128 0.000 1.030 154 N CA 1.935 54.893 53.050 -0.153 0.000 0.856 154 N CB -0.545 37.858 38.487 -0.141 0.000 1.023 154 N HN 0.522 nan 8.380 nan 0.000 0.424 155 A N 0.388 123.108 122.820 -0.166 0.000 1.970 155 A HA 0.213 4.534 4.320 0.000 0.000 0.216 155 A C 2.283 179.839 177.584 -0.045 0.000 1.170 155 A CA 1.483 53.468 52.037 -0.087 0.000 0.645 155 A CB -0.596 18.361 19.000 -0.072 0.000 0.816 155 A HN 0.305 nan 8.150 nan 0.000 0.447 156 A N -1.139 121.642 122.820 -0.066 0.000 1.969 156 A HA 0.004 4.324 4.320 0.000 0.000 0.218 156 A C 1.836 179.397 177.584 -0.038 0.000 1.169 156 A CA 1.539 53.554 52.037 -0.036 0.000 0.635 156 A CB -0.301 18.671 19.000 -0.045 0.000 0.810 156 A HN 0.382 nan 8.150 nan 0.000 0.445 157 M N 0.695 120.261 119.600 -0.056 0.000 2.493 157 M HA 0.125 4.605 4.480 0.000 0.000 0.244 157 M C -0.416 175.865 176.300 -0.032 0.000 1.182 157 M CA 0.481 55.756 55.300 -0.043 0.000 0.981 157 M CB -0.561 32.006 32.600 -0.055 0.000 1.551 157 M HN 0.124 nan 8.290 nan 0.000 0.476 158 T N 1.380 115.917 114.554 -0.028 0.000 2.795 158 T HA 0.257 4.607 4.350 0.000 0.000 0.282 158 T C 0.412 175.104 174.700 -0.012 0.000 0.980 158 T CA -0.585 61.503 62.100 -0.019 0.000 1.012 158 T CB 1.728 70.586 68.868 -0.017 0.000 0.936 158 T HN 0.116 nan 8.240 nan 0.000 0.457 159 E N 3.620 123.812 120.200 -0.013 0.000 2.392 159 E HA 0.146 4.496 4.350 0.000 0.000 0.264 159 E C -2.208 174.388 176.600 -0.006 0.000 1.024 159 E CA -1.839 54.555 56.400 -0.010 0.000 0.903 159 E CB 0.281 29.972 29.700 -0.015 0.000 0.963 159 E HN 0.341 nan 8.360 nan 0.000 0.432 160 P HA 0.001 nan 4.420 nan 0.000 0.276 160 P C -0.087 177.213 177.300 -0.001 0.000 1.243 160 P CA -0.288 62.811 63.100 -0.001 0.000 0.768 160 P CB 0.402 32.102 31.700 0.001 0.000 0.856 161 V N 1.614 121.526 119.914 -0.003 0.000 2.872 161 V HA 0.693 4.813 4.120 0.000 0.000 0.307 161 V C 0.628 176.720 176.094 -0.003 0.000 1.072 161 V CA 0.410 62.707 62.300 -0.005 0.000 1.148 161 V CB 0.004 31.823 31.823 -0.007 0.000 0.954 161 V HN 0.838 nan 8.190 nan 0.000 0.490 162 G N 3.141 111.942 108.800 0.000 0.000 2.488 162 G HA2 0.646 4.606 3.960 0.000 0.000 0.301 162 G HA3 0.646 4.606 3.960 0.000 0.000 0.301 162 G C -3.509 171.403 174.900 0.020 0.000 1.339 162 G CA -0.746 44.360 45.100 0.009 0.000 0.803 162 G HN 0.709 nan 8.290 nan 0.000 0.482 163 P HA 0.479 nan 4.420 nan 0.000 0.284 163 P C -0.682 176.681 177.300 0.105 0.000 1.253 163 P CA -0.247 62.890 63.100 0.061 0.000 0.800 163 P CB 1.789 33.525 31.700 0.060 0.000 0.961 164 S N 1.984 117.765 115.700 0.135 0.000 2.482 164 S HA 0.592 5.062 4.470 0.000 0.000 0.303 164 S C -0.939 173.827 174.600 0.277 0.000 1.091 164 S CA -0.325 58.014 58.200 0.231 0.000 1.057 164 S CB 0.460 63.764 63.200 0.174 0.000 1.031 164 S HN 0.406 nan 8.310 nan 0.000 0.485 165 F N 3.613 123.636 119.950 0.122 0.000 2.482 165 F HA 0.700 5.227 4.527 0.000 0.000 0.331 165 F C -1.191 174.628 175.800 0.031 0.000 1.115 165 F CA -1.126 56.897 58.000 0.039 0.000 0.955 165 F CB 0.586 39.578 39.000 -0.014 0.000 1.136 165 F HN 0.431 nan 8.300 nan 0.000 0.452 166 I N 4.724 124.831 120.570 -0.772 0.000 2.436 166 I HA 0.269 4.439 4.170 0.000 0.000 0.289 166 I C -0.406 175.055 176.117 -1.093 0.000 1.010 166 I CA -0.777 60.099 61.300 -0.706 0.000 1.098 166 I CB 1.905 39.747 38.000 -0.264 0.000 1.266 166 I HN 0.520 nan 8.210 nan 0.000 0.434 167 S N 6.923 122.099 115.700 -0.874 0.000 2.499 167 S HA 0.659 5.129 4.470 0.000 0.000 0.279 167 S C -0.575 173.852 174.600 -0.287 0.000 1.219 167 S CA -0.452 57.430 58.200 -0.530 0.000 1.062 167 S CB 0.381 63.446 63.200 -0.227 0.000 0.978 167 S HN 0.466 nan 8.310 nan 0.000 0.489 168 L N 6.710 127.799 121.223 -0.222 0.000 2.417 168 L HA 0.396 4.736 4.340 0.000 0.000 0.259 168 L C -2.472 174.361 176.870 -0.062 0.000 1.023 168 L CA -2.023 52.742 54.840 -0.126 0.000 0.901 168 L CB 1.609 43.601 42.059 -0.112 0.000 1.227 168 L HN 0.436 nan 8.230 nan 0.000 0.454 169 P HA -0.067 nan 4.420 nan 0.000 0.264 169 P C 1.155 178.457 177.300 0.004 0.000 1.193 169 P CA -0.026 63.056 63.100 -0.030 0.000 0.763 169 P CB 1.009 32.687 31.700 -0.036 0.000 0.810 170 V N 1.757 121.681 119.914 0.017 0.000 2.515 170 V HA -0.217 3.903 4.120 0.000 0.000 0.250 170 V C 1.525 177.646 176.094 0.045 0.000 1.058 170 V CA 2.184 64.510 62.300 0.045 0.000 1.064 170 V CB -1.187 30.667 31.823 0.053 0.000 0.675 170 V HN 0.491 nan 8.190 nan 0.000 0.461 171 D N 0.904 121.332 120.400 0.048 0.000 2.117 171 D HA -0.198 4.442 4.640 0.000 0.000 0.198 171 D C 2.068 178.394 176.300 0.044 0.000 0.982 171 D CA 1.869 55.905 54.000 0.061 0.000 0.828 171 D CB -0.575 40.288 40.800 0.106 0.000 0.967 171 D HN 0.532 nan 8.370 nan 0.000 0.464 172 L N -0.431 120.814 121.223 0.036 0.000 2.072 172 L HA -0.062 4.278 4.340 0.000 0.000 0.205 172 L C 2.654 179.541 176.870 0.028 0.000 1.079 172 L CA 0.333 55.188 54.840 0.026 0.000 0.752 172 L CB -0.484 41.581 42.059 0.011 0.000 0.906 172 L HN 0.037 nan 8.230 nan 0.000 0.436 173 L N 0.698 121.941 121.223 0.034 0.000 2.043 173 L HA -0.142 4.198 4.340 0.000 0.000 0.212 173 L C 2.048 178.936 176.870 0.031 0.000 1.075 173 L CA 2.117 56.986 54.840 0.048 0.000 0.752 173 L CB -0.948 41.160 42.059 0.083 0.000 0.891 173 L HN 0.167 nan 8.230 nan 0.000 0.432 174 G N -1.746 107.069 108.800 0.025 0.000 3.233 174 G HA2 0.072 4.032 3.960 0.000 0.000 0.227 174 G HA3 0.072 4.032 3.960 0.000 0.000 0.227 174 G C 0.468 175.375 174.900 0.012 0.000 1.175 174 G CA 0.522 45.629 45.100 0.011 0.000 0.781 174 G HN 0.401 nan 8.290 nan 0.000 0.542 175 S N -0.193 115.519 115.700 0.020 0.000 2.578 175 S HA 0.453 4.923 4.470 0.000 0.000 0.283 175 S C 1.298 175.912 174.600 0.023 0.000 1.195 175 S CA 0.215 58.427 58.200 0.020 0.000 1.050 175 S CB 1.588 64.803 63.200 0.025 0.000 1.012 175 S HN 0.295 nan 8.310 nan 0.000 0.511 176 S N 2.106 117.817 115.700 0.017 0.000 2.554 176 S HA 0.259 4.729 4.470 0.000 0.000 0.226 176 S C 0.264 174.879 174.600 0.025 0.000 0.980 176 S CA -0.440 57.771 58.200 0.018 0.000 0.939 176 S CB -0.265 62.935 63.200 -0.001 0.000 0.832 176 S HN 0.816 nan 8.310 nan 0.000 0.486 177 E N 1.279 121.498 120.200 0.031 0.000 2.493 177 E HA 0.316 4.666 4.350 0.000 0.000 0.255 177 E C 1.159 177.799 176.600 0.067 0.000 0.999 177 E CA 0.949 57.371 56.400 0.037 0.000 0.934 177 E CB -0.141 29.580 29.700 0.036 0.000 0.940 177 E HN 0.635 nan 8.360 nan 0.000 0.473 178 G N 4.223 113.044 108.800 0.036 0.000 2.199 178 G HA2 -0.285 3.675 3.960 0.000 0.000 0.254 178 G HA3 -0.285 3.675 3.960 0.000 0.000 0.254 178 G C 0.286 175.175 174.900 -0.018 0.000 0.982 178 G CA 0.132 45.233 45.100 0.002 0.000 0.632 178 G HN 0.578 nan 8.290 nan 0.000 0.529 179 I N 2.450 123.038 120.570 0.031 0.000 2.297 179 I HA 0.520 4.690 4.170 0.000 0.000 0.291 179 I C 0.934 177.051 176.117 -0.000 0.000 1.033 179 I CA 0.326 61.648 61.300 0.038 0.000 1.253 179 I CB 0.551 38.588 38.000 0.062 0.000 1.396 179 I HN 0.329 nan 8.210 nan 0.000 0.476 187 P HA 0.450 nan 4.420 nan 0.000 0.269 187 P C 0.612 177.887 177.300 -0.041 0.000 1.209 187 P CA -0.375 62.709 63.100 -0.028 0.000 0.776 187 P CB 0.670 32.364 31.700 -0.010 0.000 0.876 188 A N 2.428 125.197 122.820 -0.086 0.000 1.930 188 A HA -0.083 4.237 4.320 0.000 0.000 0.215 188 A C 0.786 178.406 177.584 0.061 0.000 1.176 188 A CA 0.942 52.898 52.037 -0.135 0.000 0.632 188 A CB -1.357 17.391 19.000 -0.421 0.000 0.819 188 A HN 0.813 nan 8.150 nan 0.000 0.445 189 N N 0.087 118.814 118.700 0.044 0.000 2.714 189 N HA -0.119 4.621 4.740 0.000 0.000 0.253 189 N C -0.889 174.686 175.510 0.108 0.000 1.024 189 N CA 0.331 53.420 53.050 0.065 0.000 0.726 189 N CB -1.364 37.153 38.487 0.050 0.000 0.908 189 N HN 0.432 nan 8.380 nan 0.000 0.542 190 T N 1.562 116.208 114.554 0.153 0.000 2.853 190 T HA 0.188 4.538 4.350 0.000 0.000 0.298 190 T C -1.805 172.933 174.700 0.063 0.000 0.978 190 T CA -0.621 61.570 62.100 0.152 0.000 1.152 190 T CB 0.579 69.572 68.868 0.209 0.000 0.914 190 T HN 0.044 nan 8.240 nan 0.000 0.539 191 P HA 0.201 nan 4.420 nan 0.000 0.264 191 P C 0.349 177.661 177.300 0.019 0.000 1.193 191 P CA -0.216 62.893 63.100 0.015 0.000 0.763 191 P CB 0.469 32.166 31.700 -0.005 0.000 0.810 192 A N 3.921 126.755 122.820 0.022 0.000 2.016 192 A HA -0.027 4.293 4.320 0.000 0.000 0.217 192 A C 0.830 178.428 177.584 0.023 0.000 1.162 192 A CA 1.250 53.302 52.037 0.025 0.000 0.662 192 A CB -0.455 18.560 19.000 0.025 0.000 0.812 192 A HN 0.654 nan 8.150 nan 0.000 0.450 193 K N -1.282 119.128 120.400 0.017 0.000 2.509 193 K HA 0.580 4.900 4.320 0.000 0.000 0.266 193 K C -3.423 173.181 176.600 0.006 0.000 0.987 193 K CA -2.184 54.113 56.287 0.016 0.000 0.868 193 K CB 1.064 33.576 32.500 0.019 0.000 1.421 193 K HN -0.236 nan 8.250 nan 0.000 0.444 194 P HA -0.041 nan 4.420 nan 0.000 0.262 194 P C -0.534 176.759 177.300 -0.011 0.000 1.182 194 P CA -0.344 62.753 63.100 -0.005 0.000 0.761 194 P CB 0.468 32.167 31.700 -0.002 0.000 0.795 195 V N 3.459 123.364 119.914 -0.016 0.000 2.655 195 V HA 0.399 4.519 4.120 0.000 0.000 0.300 195 V C 1.187 177.267 176.094 -0.024 0.000 1.044 195 V CA 0.989 63.278 62.300 -0.019 0.000 1.095 195 V CB 0.371 32.183 31.823 -0.018 0.000 0.952 195 V HN 0.836 nan 8.190 nan 0.000 0.485 196 G N 2.713 111.493 108.800 -0.033 0.000 2.798 196 G HA2 0.722 4.682 3.960 0.000 0.000 0.286 196 G HA3 0.722 4.682 3.960 0.000 0.000 0.286 196 G C -0.857 174.014 174.900 -0.048 0.000 1.389 196 G CA -0.331 44.742 45.100 -0.044 0.000 0.894 196 G HN 0.928 nan 8.290 nan 0.000 0.488 197 V N -2.186 117.695 119.914 -0.055 0.000 2.713 197 V HA 0.851 4.971 4.120 0.000 0.000 0.307 197 V C -0.433 175.606 176.094 -0.092 0.000 1.052 197 V CA -0.953 61.315 62.300 -0.053 0.000 0.967 197 V CB 1.446 33.248 31.823 -0.034 0.000 1.019 197 V HN 0.571 nan 8.190 nan 0.000 0.459 198 V N 2.686 122.557 119.914 -0.073 0.000 2.569 198 V HA 0.758 4.879 4.120 0.000 0.000 0.301 198 V C 0.427 176.528 176.094 0.012 0.000 1.044 198 V CA -0.194 62.045 62.300 -0.102 0.000 0.874 198 V CB 1.371 33.134 31.823 -0.100 0.000 1.002 198 V HN 1.376 nan 8.190 nan 0.000 0.424 199 A N 2.889 125.736 122.820 0.046 0.000 2.363 199 A HA 0.520 4.840 4.320 0.000 0.000 0.270 199 A C 0.025 177.736 177.584 0.211 0.000 1.121 199 A CA -0.235 51.865 52.037 0.104 0.000 0.800 199 A CB 0.268 19.317 19.000 0.081 0.000 1.052 199 A HN 0.949 nan 8.150 nan 0.000 0.493 200 D N 1.513 121.996 120.400 0.139 0.000 2.525 200 D HA 0.345 4.985 4.640 0.000 0.000 0.235 200 D C 1.363 177.717 176.300 0.092 0.000 1.137 200 D CA 2.032 56.102 54.000 0.117 0.000 0.868 200 D CB 0.255 41.092 40.800 0.061 0.000 1.180 200 D HN 1.261 nan 8.370 nan 0.000 0.465 201 G N 3.444 112.260 108.800 0.026 0.000 2.143 201 G HA2 -0.260 3.700 3.960 0.000 0.000 0.248 201 G HA3 -0.260 3.700 3.960 0.000 0.000 0.248 201 G C 0.972 175.859 174.900 -0.022 0.000 0.991 201 G CA 0.498 45.576 45.100 -0.036 0.000 0.689 201 G HN 0.686 nan 8.290 nan 0.000 0.522 202 W N -0.123 121.154 121.300 -0.038 0.000 2.436 202 W HA -0.008 4.652 4.660 0.000 0.000 0.284 202 W C 1.532 178.004 176.519 -0.079 0.000 1.225 202 W CA 1.276 58.593 57.345 -0.047 0.000 1.271 202 W CB -0.729 28.707 29.460 -0.040 0.000 1.114 202 W HN 0.377 nan 8.180 nan 0.000 0.559 203 Q N 1.639 120.796 119.800 -1.072 0.000 2.061 203 Q HA -0.224 4.116 4.340 0.000 0.000 0.204 203 Q C 2.314 178.061 176.000 -0.422 0.000 0.984 203 Q CA 2.858 57.944 55.803 -1.195 0.000 0.846 203 Q CB -0.626 27.405 28.738 -1.178 0.000 0.902 203 Q HN 0.349 nan 8.270 nan 0.000 0.421 204 K N 0.126 120.387 120.400 -0.231 0.000 2.057 204 K HA -0.135 4.185 4.320 0.000 0.000 0.207 204 K C 1.988 178.601 176.600 0.021 0.000 1.049 204 K CA 1.237 57.488 56.287 -0.060 0.000 0.931 204 K CB -0.204 32.267 32.500 -0.049 0.000 0.714 204 K HN 0.220 nan 8.250 nan 0.000 0.440 205 A N 0.981 123.824 122.820 0.037 0.000 1.930 205 A HA -0.063 4.257 4.320 0.000 0.000 0.217 205 A C 2.319 180.005 177.584 0.171 0.000 1.175 205 A CA 1.703 53.795 52.037 0.091 0.000 0.627 205 A CB -0.755 18.299 19.000 0.090 0.000 0.815 205 A HN 0.487 nan 8.150 nan 0.000 0.443 206 A N 0.118 123.080 122.820 0.236 0.000 1.933 206 A HA -0.181 4.139 4.320 0.000 0.000 0.218 206 A C 1.700 179.562 177.584 0.463 0.000 1.175 206 A CA 1.862 54.175 52.037 0.460 0.000 0.628 206 A CB -0.494 18.822 19.000 0.527 0.000 0.814 206 A HN 0.473 nan 8.150 nan 0.000 0.444 207 D N -0.444 120.133 120.400 0.296 0.000 2.183 207 D HA -0.111 4.529 4.640 0.000 0.000 0.203 207 D C 2.122 178.544 176.300 0.203 0.000 0.969 207 D CA 1.211 55.352 54.000 0.235 0.000 0.842 207 D CB -0.414 40.481 40.800 0.158 0.000 0.957 207 D HN 0.625 nan 8.370 nan 0.000 0.484 208 Q N 0.388 120.293 119.800 0.175 0.000 2.170 208 Q HA -0.037 4.303 4.340 0.000 0.000 0.203 208 Q C 2.161 178.278 176.000 0.196 0.000 0.976 208 Q CA 1.291 57.182 55.803 0.146 0.000 0.858 208 Q CB -0.051 28.747 28.738 0.099 0.000 0.907 208 Q HN 0.214 nan 8.270 nan 0.000 0.433 209 A N 1.055 124.042 122.820 0.277 0.000 1.898 209 A HA -0.072 4.248 4.320 0.000 0.000 0.216 209 A C 2.308 180.205 177.584 0.522 0.000 1.181 209 A CA 1.381 53.632 52.037 0.356 0.000 0.620 209 A CB -0.735 18.485 19.000 0.366 0.000 0.819 209 A HN 0.385 nan 8.150 nan 0.000 0.442 210 A N -0.029 123.119 122.820 0.547 0.000 1.908 210 A HA 0.096 4.416 4.320 0.000 0.000 0.218 210 A C 2.465 180.254 177.584 0.342 0.000 1.181 210 A CA 2.218 54.420 52.037 0.274 0.000 0.627 210 A CB -0.920 18.065 19.000 -0.025 0.000 0.818 210 A HN 1.045 nan 8.150 nan 0.000 0.445 211 A N -0.482 122.487 122.820 0.248 0.000 1.929 211 A HA 0.080 4.400 4.320 0.000 0.000 0.216 211 A C 2.135 179.787 177.584 0.114 0.000 1.176 211 A CA 1.218 53.350 52.037 0.159 0.000 0.628 211 A CB -0.511 18.554 19.000 0.108 0.000 0.816 211 A HN 0.462 nan 8.150 nan 0.000 0.444 212 L N -0.967 120.343 121.223 0.146 0.000 2.042 212 L HA -0.192 4.148 4.340 0.000 0.000 0.210 212 L C 2.564 179.510 176.870 0.127 0.000 1.076 212 L CA 1.318 56.228 54.840 0.117 0.000 0.749 212 L CB -0.547 41.587 42.059 0.124 0.000 0.893 212 L HN 0.473 nan 8.230 nan 0.000 0.432 213 L N 0.199 121.556 121.223 0.223 0.000 2.083 213 L HA -0.123 4.217 4.340 0.000 0.000 0.209 213 L C 2.621 179.554 176.870 0.106 0.000 1.083 213 L CA 1.915 56.901 54.840 0.244 0.000 0.752 213 L CB -0.690 41.627 42.059 0.431 0.000 0.899 213 L HN 0.136 nan 8.230 nan 0.000 0.433 214 A N -0.841 121.959 122.820 -0.034 0.000 1.940 214 A HA -0.234 4.086 4.320 0.000 0.000 0.219 214 A C 2.204 179.650 177.584 -0.229 0.000 1.176 214 A CA 1.933 53.705 52.037 -0.441 0.000 0.631 214 A CB -0.586 18.004 19.000 -0.684 0.000 0.814 214 A HN 0.607 nan 8.150 nan 0.000 0.446 215 E N -0.419 119.716 120.200 -0.107 0.000 2.285 215 E HA 0.215 4.565 4.350 0.000 0.000 0.194 215 E C 0.801 177.371 176.600 -0.050 0.000 0.997 215 E CA 0.201 56.558 56.400 -0.072 0.000 0.845 215 E CB -0.065 29.615 29.700 -0.034 0.000 0.782 215 E HN 0.597 nan 8.360 nan 0.000 0.491 216 A N 0.713 123.518 122.820 -0.025 0.000 2.363 216 A HA 0.421 4.741 4.320 0.000 0.000 0.270 216 A C 1.108 178.656 177.584 -0.060 0.000 1.121 216 A CA 0.347 52.377 52.037 -0.012 0.000 0.800 216 A CB 0.674 19.698 19.000 0.039 0.000 1.052 216 A HN 0.201 nan 8.150 nan 0.000 0.493 217 K N 0.835 121.167 120.400 -0.114 0.000 2.166 217 K HA 0.079 4.399 4.320 0.000 0.000 0.201 217 K C 0.557 176.899 176.600 -0.431 0.000 1.052 217 K CA 1.336 57.440 56.287 -0.305 0.000 0.969 217 K CB -0.112 32.151 32.500 -0.396 0.000 0.761 217 K HN 0.845 nan 8.250 nan 0.000 0.459 218 H N 0.264 119.372 119.070 0.064 0.000 2.439 218 H HA 0.282 4.838 4.556 0.000 0.000 0.228 218 H C -2.899 172.480 175.328 0.086 0.000 1.423 218 H CA -2.537 53.570 56.048 0.099 0.000 1.386 218 H CB 0.904 30.720 29.762 0.090 0.000 1.641 218 H HN 0.292 nan 8.280 nan 0.000 0.508 219 P HA 0.150 nan 4.420 nan 0.000 0.276 219 P C 0.072 177.437 177.300 0.108 0.000 1.244 219 P CA -0.369 62.802 63.100 0.119 0.000 0.801 219 P CB 2.161 33.931 31.700 0.116 0.000 1.006 220 V N -0.771 119.184 119.914 0.068 0.000 2.962 220 V HA 0.561 4.681 4.120 0.000 0.000 0.313 220 V C -0.597 175.499 176.094 0.004 0.000 1.099 220 V CA -1.193 61.124 62.300 0.030 0.000 0.971 220 V CB 1.853 33.716 31.823 0.067 0.000 1.028 220 V HN 0.253 nan 8.190 nan 0.000 0.430 221 L N 3.009 124.225 121.223 -0.012 0.000 2.262 221 L HA 0.573 4.913 4.340 0.000 0.000 0.288 221 L C -0.483 176.392 176.870 0.009 0.000 1.035 221 L CA -0.675 54.160 54.840 -0.008 0.000 0.820 221 L CB 1.640 43.698 42.059 -0.002 0.000 1.204 221 L HN 0.534 nan 8.230 nan 0.000 0.424 222 V N 5.029 124.951 119.914 0.013 0.000 2.348 222 V HA 0.235 4.356 4.120 0.000 0.000 0.270 222 V C 0.194 176.334 176.094 0.075 0.000 1.037 222 V CA -0.463 61.882 62.300 0.075 0.000 0.872 222 V CB 1.610 33.489 31.823 0.094 0.000 1.002 222 V HN 0.409 nan 8.190 nan 0.000 0.464 223 V N 5.042 125.000 119.914 0.074 0.000 2.370 223 V HA 0.713 4.834 4.120 0.000 0.000 0.279 223 V C 0.825 176.961 176.094 0.069 0.000 1.029 223 V CA -0.181 62.154 62.300 0.058 0.000 0.870 223 V CB 1.375 33.216 31.823 0.030 0.000 0.984 223 V HN 0.877 nan 8.190 nan 0.000 0.451 224 G N 2.542 111.380 108.800 0.063 0.000 2.521 224 G HA2 0.557 4.518 3.960 0.000 0.000 0.323 224 G HA3 0.557 4.518 3.960 0.000 0.000 0.323 224 G C 0.872 175.799 174.900 0.045 0.000 1.211 224 G CA -0.003 45.124 45.100 0.045 0.000 0.979 224 G HN 0.880 nan 8.290 nan 0.000 0.490 225 A N -0.417 122.442 122.820 0.065 0.000 2.015 225 A HA 0.255 4.575 4.320 0.000 0.000 0.219 225 A C 2.590 180.237 177.584 0.104 0.000 1.163 225 A CA 2.079 54.189 52.037 0.122 0.000 0.646 225 A CB -0.620 18.507 19.000 0.212 0.000 0.806 225 A HN 1.267 nan 8.150 nan 0.000 0.448 226 A N 0.039 122.895 122.820 0.059 0.000 2.024 226 A HA 0.117 4.437 4.320 0.000 0.000 0.220 226 A C 2.401 180.007 177.584 0.036 0.000 1.164 226 A CA 1.905 53.968 52.037 0.044 0.000 0.643 226 A CB -0.797 18.214 19.000 0.017 0.000 0.806 226 A HN 1.009 nan 8.150 nan 0.000 0.451 227 A N -0.038 122.799 122.820 0.029 0.000 1.933 227 A HA -0.052 4.268 4.320 0.000 0.000 0.218 227 A C 2.051 179.639 177.584 0.007 0.000 1.175 227 A CA 1.446 53.495 52.037 0.019 0.000 0.628 227 A CB -0.542 18.468 19.000 0.018 0.000 0.814 227 A HN 0.520 nan 8.150 nan 0.000 0.444 228 I N -1.031 119.536 120.570 -0.005 0.000 2.315 228 I HA -0.214 3.956 4.170 0.000 0.000 0.248 228 I C 2.651 178.787 176.117 0.032 0.000 1.117 228 I CA 1.027 62.299 61.300 -0.047 0.000 1.404 228 I CB -0.302 37.569 38.000 -0.214 0.000 1.071 228 I HN 0.256 nan 8.210 nan 0.000 0.419 229 R N -0.129 120.423 120.500 0.087 0.000 2.148 229 R HA -0.072 4.269 4.340 0.000 0.000 0.223 229 R C 2.372 178.701 176.300 0.049 0.000 1.088 229 R CA 1.123 57.279 56.100 0.094 0.000 0.985 229 R CB -0.297 30.057 30.300 0.089 0.000 0.880 229 R HN 0.189 nan 8.270 nan 0.000 0.451 230 S N -0.441 115.278 115.700 0.031 0.000 2.522 230 S HA 0.012 4.482 4.470 0.000 0.000 0.227 230 S C 1.085 175.695 174.600 0.017 0.000 0.986 230 S CA 0.843 59.053 58.200 0.017 0.000 0.929 230 S CB 0.025 63.230 63.200 0.008 0.000 0.769 230 S HN 0.634 nan 8.310 nan 0.000 0.529 231 G N 0.222 109.033 108.800 0.018 0.000 2.171 231 G HA2 -0.169 3.791 3.960 0.000 0.000 0.238 231 G HA3 -0.169 3.791 3.960 0.000 0.000 0.238 231 G C 0.382 175.287 174.900 0.008 0.000 1.039 231 G CA 0.174 45.282 45.100 0.013 0.000 0.759 231 G HN 0.893 nan 8.290 nan 0.000 0.501 232 A N -0.919 121.904 122.820 0.006 0.000 2.430 232 A HA 0.670 4.990 4.320 0.000 0.000 0.243 232 A C 2.077 179.662 177.584 0.001 0.000 1.254 232 A CA 1.269 53.313 52.037 0.012 0.000 0.914 232 A CB 0.245 19.262 19.000 0.029 0.000 0.998 232 A HN 0.888 nan 8.150 nan 0.000 0.515 233 V N 1.104 121.008 119.914 -0.017 0.000 2.237 233 V HA -0.139 3.982 4.120 0.000 0.000 0.245 233 V C -0.143 175.942 176.094 -0.016 0.000 1.046 233 V CA 2.593 64.876 62.300 -0.029 0.000 1.007 233 V CB -1.293 30.496 31.823 -0.057 0.000 0.638 233 V HN 0.366 nan 8.190 nan 0.000 0.445 234 P HA -0.180 nan 4.420 nan 0.000 0.216 234 P C 1.608 178.912 177.300 0.005 0.000 1.153 234 P CA 2.149 65.250 63.100 0.002 0.000 0.858 234 P CB -0.155 31.548 31.700 0.005 0.000 0.789 235 A N -1.096 121.729 122.820 0.007 0.000 1.929 235 A HA -0.124 4.196 4.320 0.000 0.000 0.216 235 A C 2.221 179.813 177.584 0.013 0.000 1.176 235 A CA 1.196 53.239 52.037 0.010 0.000 0.628 235 A CB -1.494 17.514 19.000 0.013 0.000 0.816 235 A HN 0.106 nan 8.150 nan 0.000 0.444 236 I N -0.833 119.745 120.570 0.013 0.000 2.252 236 I HA -0.243 3.927 4.170 0.000 0.000 0.245 236 I C 2.679 178.797 176.117 0.001 0.000 1.102 236 I CA 1.625 62.935 61.300 0.017 0.000 1.385 236 I CB -0.245 37.763 38.000 0.013 0.000 1.064 236 I HN 0.393 nan 8.210 nan 0.000 0.414 237 R N 1.312 121.803 120.500 -0.014 0.000 2.083 237 R HA -0.214 4.126 4.340 0.000 0.000 0.237 237 R C 2.344 178.648 176.300 0.006 0.000 1.137 237 R CA 1.844 57.928 56.100 -0.027 0.000 0.951 237 R CB -0.345 29.943 30.300 -0.020 0.000 0.851 237 R HN 0.342 nan 8.270 nan 0.000 0.434 238 A N 1.250 124.081 122.820 0.018 0.000 1.902 238 A HA -0.164 4.156 4.320 0.000 0.000 0.217 238 A C 2.075 179.673 177.584 0.023 0.000 1.181 238 A CA 1.394 53.446 52.037 0.025 0.000 0.623 238 A CB -0.674 18.335 19.000 0.016 0.000 0.818 238 A HN 0.432 nan 8.150 nan 0.000 0.443 239 L N -0.069 121.168 121.223 0.023 0.000 1.989 239 L HA -0.103 4.237 4.340 0.000 0.000 0.211 239 L C 2.638 179.535 176.870 0.045 0.000 1.071 239 L CA 2.507 57.369 54.840 0.038 0.000 0.749 239 L CB -0.962 41.139 42.059 0.069 0.000 0.890 239 L HN 0.329 nan 8.230 nan 0.000 0.431 240 A N -0.907 121.932 122.820 0.031 0.000 1.902 240 A HA -0.240 4.080 4.320 0.000 0.000 0.217 240 A C 2.201 179.802 177.584 0.028 0.000 1.181 240 A CA 1.905 53.951 52.037 0.015 0.000 0.623 240 A CB -0.713 18.265 19.000 -0.037 0.000 0.818 240 A HN 0.640 nan 8.150 nan 0.000 0.443 241 E N -1.036 119.191 120.200 0.045 0.000 2.106 241 E HA -0.176 4.174 4.350 0.000 0.000 0.192 241 E C 2.309 178.945 176.600 0.061 0.000 0.984 241 E CA 1.154 57.604 56.400 0.084 0.000 0.806 241 E CB -0.115 29.652 29.700 0.112 0.000 0.750 241 E HN 0.619 nan 8.360 nan 0.000 0.458 242 R N 0.518 121.044 120.500 0.044 0.000 2.073 242 R HA -0.038 4.302 4.340 0.000 0.000 0.229 242 R C 1.685 178.009 176.300 0.040 0.000 1.120 242 R CA 0.942 57.062 56.100 0.033 0.000 0.967 242 R CB 0.078 30.387 30.300 0.014 0.000 0.862 242 R HN 0.153 nan 8.270 nan 0.000 0.436 243 L N 0.718 121.970 121.223 0.049 0.000 2.667 243 L HA 0.151 4.491 4.340 0.000 0.000 0.232 243 L C 0.040 176.948 176.870 0.063 0.000 1.138 243 L CA -0.236 54.644 54.840 0.066 0.000 0.921 243 L CB -0.004 42.109 42.059 0.089 0.000 1.180 243 L HN 0.299 nan 8.230 nan 0.000 0.487 244 N N 1.481 120.212 118.700 0.053 0.000 2.727 244 N HA -0.217 4.523 4.740 0.000 0.000 0.251 244 N C -0.646 174.879 175.510 0.024 0.000 1.040 244 N CA 0.459 53.537 53.050 0.046 0.000 0.712 244 N CB -1.128 37.392 38.487 0.055 0.000 0.912 244 N HN 0.331 nan 8.380 nan 0.000 0.545 245 I N 0.670 121.244 120.570 0.005 0.000 2.321 245 I HA 0.359 4.529 4.170 0.000 0.000 0.291 245 I C -1.864 174.170 176.117 -0.139 0.000 0.998 245 I CA -2.097 59.188 61.300 -0.026 0.000 1.227 245 I CB 1.434 39.452 38.000 0.030 0.000 1.368 245 I HN 0.022 nan 8.210 nan 0.000 0.466 246 P HA 0.076 nan 4.420 nan 0.000 0.269 246 P C -0.747 176.346 177.300 -0.345 0.000 1.209 246 P CA -0.138 62.588 63.100 -0.623 0.000 0.776 246 P CB 0.722 31.588 31.700 -1.389 0.000 0.876 247 V N 4.658 124.407 119.914 -0.275 0.000 2.378 247 V HA 0.366 4.486 4.120 0.000 0.000 0.288 247 V C 0.281 176.353 176.094 -0.037 0.000 1.016 247 V CA -0.343 61.888 62.300 -0.115 0.000 0.840 247 V CB 1.045 32.808 31.823 -0.099 0.000 0.994 247 V HN 0.384 nan 8.190 nan 0.000 0.431 248 I N 4.487 125.067 120.570 0.017 0.000 2.493 248 I HA 0.624 4.794 4.170 0.000 0.000 0.298 248 I C 0.472 176.652 176.117 0.105 0.000 0.998 248 I CA -0.155 61.197 61.300 0.086 0.000 1.137 248 I CB 2.410 40.485 38.000 0.124 0.000 1.310 248 I HN 0.738 nan 8.210 nan 0.000 0.445 249 T N 0.185 114.808 114.554 0.116 0.000 2.942 249 T HA 0.556 4.906 4.350 0.000 0.000 0.289 249 T C 0.168 174.965 174.700 0.162 0.000 1.044 249 T CA -0.715 61.457 62.100 0.120 0.000 1.023 249 T CB 1.601 70.525 68.868 0.093 0.000 1.123 249 T HN 0.676 nan 8.240 nan 0.000 0.512 250 T N 0.008 114.649 114.554 0.146 0.000 2.667 250 T HA 0.142 4.492 4.350 0.000 0.000 0.305 250 T C 0.919 175.780 174.700 0.269 0.000 1.022 250 T CA -0.376 61.811 62.100 0.145 0.000 0.995 250 T CB -0.165 68.730 68.868 0.045 0.000 1.026 250 T HN 0.521 nan 8.240 nan 0.000 0.527 251 Y N 0.192 120.545 120.300 0.089 0.000 2.165 251 Y HA -0.009 4.541 4.550 0.000 0.000 0.286 251 Y C 2.271 178.305 175.900 0.224 0.000 1.155 251 Y CA 0.536 58.720 58.100 0.140 0.000 1.164 251 Y CB -1.226 37.297 38.460 0.104 0.000 0.978 251 Y HN 0.465 nan 8.280 nan 0.000 0.513 252 I N -0.989 119.778 120.570 0.329 0.000 3.226 252 I HA 0.071 4.241 4.170 0.000 0.000 0.277 252 I C 1.964 178.255 176.117 0.290 0.000 1.243 252 I CA 0.930 62.408 61.300 0.296 0.000 1.459 252 I CB -0.388 37.743 38.000 0.219 0.000 1.093 252 I HN 0.018 nan 8.210 nan 0.000 0.453 253 A N 0.319 123.259 122.820 0.199 0.000 2.423 253 A HA 0.221 4.541 4.320 0.000 0.000 0.246 253 A C 0.725 178.358 177.584 0.081 0.000 1.278 253 A CA -0.335 51.762 52.037 0.099 0.000 0.903 253 A CB -0.442 18.596 19.000 0.065 0.000 0.997 253 A HN 0.146 nan 8.150 nan 0.000 0.510 254 K N -0.180 120.307 120.400 0.145 0.000 2.484 254 K HA 0.318 4.638 4.320 0.000 0.000 0.280 254 K C 1.150 177.798 176.600 0.080 0.000 1.013 254 K CA 1.067 57.419 56.287 0.109 0.000 1.029 254 K CB 0.180 32.759 32.500 0.131 0.000 0.902 254 K HN 0.635 nan 8.250 nan 0.000 0.481 255 G N 0.858 109.681 108.800 0.038 0.000 2.179 255 G HA2 -0.286 3.674 3.960 0.000 0.000 0.220 255 G HA3 -0.286 3.674 3.960 0.000 0.000 0.220 255 G C 0.701 175.586 174.900 -0.025 0.000 0.990 255 G CA 0.130 45.240 45.100 0.017 0.000 0.646 255 G HN 0.523 nan 8.290 nan 0.000 0.517 256 V N -1.435 118.454 119.914 -0.042 0.000 2.759 256 V HA 0.401 4.521 4.120 0.000 0.000 0.256 256 V C 1.281 177.343 176.094 -0.054 0.000 1.080 256 V CA 1.392 63.655 62.300 -0.062 0.000 1.101 256 V CB -0.325 31.461 31.823 -0.062 0.000 0.698 256 V HN 0.429 nan 8.190 nan 0.000 0.477 257 L N 0.554 121.748 121.223 -0.049 0.000 2.342 257 L HA 0.579 4.919 4.340 0.000 0.000 0.271 257 L C -2.465 174.419 176.870 0.024 0.000 1.008 257 L CA -2.215 52.592 54.840 -0.056 0.000 0.818 257 L CB 1.987 43.946 42.059 -0.168 0.000 1.296 257 L HN -0.010 nan 8.230 nan 0.000 0.427 258 P HA 0.013 nan 4.420 nan 0.000 0.269 258 P C -0.534 176.825 177.300 0.098 0.000 1.215 258 P CA -0.361 62.794 63.100 0.091 0.000 0.780 258 P CB 0.436 32.201 31.700 0.109 0.000 0.898 259 V N 2.171 122.127 119.914 0.070 0.000 2.617 259 V HA 0.228 4.348 4.120 0.000 0.000 0.304 259 V C 1.700 177.836 176.094 0.070 0.000 1.040 259 V CA 2.118 64.456 62.300 0.064 0.000 1.149 259 V CB -0.487 31.365 31.823 0.049 0.000 0.914 259 V HN 1.058 nan 8.190 nan 0.000 0.487 260 G N 2.969 111.813 108.800 0.073 0.000 2.254 260 G HA2 -0.229 3.732 3.960 0.000 0.000 0.225 260 G HA3 -0.229 3.732 3.960 0.000 0.000 0.225 260 G C 0.356 175.307 174.900 0.086 0.000 1.003 260 G CA 0.171 45.307 45.100 0.059 0.000 0.622 260 G HN 0.890 nan 8.290 nan 0.000 0.507 261 H N 2.256 121.342 119.070 0.028 0.000 3.034 261 H HA 0.457 5.013 4.556 0.000 0.000 0.324 261 H C 1.693 177.053 175.328 0.052 0.000 1.015 261 H CA 1.482 57.550 56.048 0.034 0.000 1.429 261 H CB 0.971 30.753 29.762 0.032 0.000 1.429 261 H HN 0.625 nan 8.280 nan 0.000 0.585 262 E N 5.362 125.738 120.200 0.292 0.000 2.265 262 E HA -0.060 4.290 4.350 0.000 0.000 0.196 262 E C 2.057 178.858 176.600 0.335 0.000 0.996 262 E CA 1.199 57.739 56.400 0.233 0.000 0.832 262 E CB -0.192 29.585 29.700 0.129 0.000 0.756 262 E HN 0.737 nan 8.360 nan 0.000 0.491 263 L N 0.108 121.564 121.223 0.388 0.000 2.607 263 L HA 0.203 4.543 4.340 0.000 0.000 0.228 263 L C 1.146 178.071 176.870 0.092 0.000 1.123 263 L CA -0.243 54.678 54.840 0.135 0.000 0.890 263 L CB 0.208 42.244 42.059 -0.037 0.000 1.103 263 L HN 0.084 nan 8.230 nan 0.000 0.468 264 N N 0.183 118.980 118.700 0.161 0.000 2.819 264 N HA -0.064 4.676 4.740 0.000 0.000 0.284 264 N C 0.592 176.234 175.510 0.220 0.000 1.196 264 N CA 0.057 53.179 53.050 0.121 0.000 1.114 264 N CB 0.033 38.580 38.487 0.099 0.000 1.437 264 N HN 0.066 nan 8.380 nan 0.000 0.518 265 Y N 0.974 121.246 120.300 -0.046 0.000 2.632 265 Y HA 0.168 4.718 4.550 0.000 0.000 0.301 265 Y C 1.834 177.703 175.900 -0.052 0.000 1.172 265 Y CA 0.377 58.440 58.100 -0.063 0.000 1.328 265 Y CB -0.509 37.893 38.460 -0.097 0.000 1.016 265 Y HN 0.516 nan 8.280 nan 0.000 0.529 266 G N -0.534 108.326 108.800 0.100 0.000 2.655 266 G HA2 0.144 4.104 3.960 0.000 0.000 0.680 266 G HA3 0.144 4.104 3.960 0.000 0.000 0.680 266 G C -0.586 174.343 174.900 0.047 0.000 1.302 266 G CA -0.788 44.334 45.100 0.037 0.000 0.872 266 G HN 0.499 nan 8.290 nan 0.000 0.540 267 A N -1.009 121.819 122.820 0.013 0.000 2.286 267 A HA 0.953 5.273 4.320 0.000 0.000 0.286 267 A C 0.776 178.397 177.584 0.063 0.000 1.097 267 A CA 0.371 52.443 52.037 0.059 0.000 0.821 267 A CB 1.029 20.047 19.000 0.030 0.000 1.076 267 A HN 2.387 nan 8.150 nan 0.000 0.490 268 V N -1.097 118.918 119.914 0.168 0.000 2.815 268 V HA 0.936 5.056 4.120 0.000 0.000 0.314 268 V C -0.137 176.117 176.094 0.267 0.000 1.064 268 V CA 0.051 62.466 62.300 0.191 0.000 0.952 268 V CB 1.357 33.366 31.823 0.311 0.000 1.020 268 V HN 1.285 nan 8.190 nan 0.000 0.439 269 T N 1.209 115.896 114.554 0.222 0.000 2.883 269 T HA 0.610 4.960 4.350 0.000 0.000 0.301 269 T C 1.022 175.855 174.700 0.222 0.000 1.158 269 T CA 0.248 62.553 62.100 0.342 0.000 1.007 269 T CB 1.583 70.669 68.868 0.363 0.000 1.186 269 T HN 1.346 nan 8.240 nan 0.000 0.499 270 G N 0.481 109.382 108.800 0.168 0.000 2.471 270 G HA2 -0.047 3.913 3.960 0.000 0.000 0.219 270 G HA3 -0.047 3.913 3.960 0.000 0.000 0.219 270 G C 0.553 175.362 174.900 -0.153 0.000 1.125 270 G CA 0.612 45.665 45.100 -0.078 0.000 0.775 270 G HN 0.766 nan 8.290 nan 0.000 0.548 271 Y N 0.568 120.822 120.300 -0.076 0.000 2.461 271 Y HA 0.247 4.797 4.550 0.000 0.000 0.277 271 Y C 2.578 178.414 175.900 -0.107 0.000 1.182 271 Y CA 0.011 58.034 58.100 -0.130 0.000 1.276 271 Y CB -0.397 37.909 38.460 -0.257 0.000 1.087 271 Y HN 0.281 nan 8.280 nan 0.000 0.519 272 M N -1.821 117.809 119.600 0.049 0.000 2.349 272 M HA -0.009 4.471 4.480 0.000 0.000 0.266 272 M C 0.629 176.922 176.300 -0.012 0.000 1.076 272 M CA 1.574 56.852 55.300 -0.038 0.000 1.126 272 M CB -0.074 32.495 32.600 -0.051 0.000 1.392 272 M HN -0.088 nan 8.290 nan 0.000 0.440 273 D N 1.640 122.058 120.400 0.031 0.000 2.097 273 D HA -0.022 4.618 4.640 0.000 0.000 0.197 273 D C 2.312 178.647 176.300 0.058 0.000 0.984 273 D CA 1.850 55.882 54.000 0.053 0.000 0.826 273 D CB -0.660 40.163 40.800 0.038 0.000 0.973 273 D HN 0.560 nan 8.370 nan 0.000 0.460 274 G N 0.777 109.613 108.800 0.059 0.000 2.446 274 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 274 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 274 G C 1.778 176.759 174.900 0.135 0.000 1.168 274 G CA 0.444 45.606 45.100 0.103 0.000 0.771 274 G HN 0.261 nan 8.290 nan 0.000 0.551 275 I N 0.123 120.732 120.570 0.065 0.000 2.226 275 I HA -0.090 4.080 4.170 0.000 0.000 0.245 275 I C 2.414 178.465 176.117 -0.111 0.000 1.100 275 I CA 0.862 62.153 61.300 -0.015 0.000 1.374 275 I CB -0.080 37.717 38.000 -0.338 0.000 1.057 275 I HN 0.102 nan 8.210 nan 0.000 0.413 276 L N -0.030 121.077 121.223 -0.194 0.000 2.558 276 L HA 0.085 4.425 4.340 0.000 0.000 0.225 276 L C 0.228 177.122 176.870 0.041 0.000 1.128 276 L CA 0.081 54.733 54.840 -0.312 0.000 0.868 276 L CB -0.359 41.543 42.059 -0.261 0.000 1.006 276 L HN 0.290 nan 8.230 nan 0.000 0.454 277 N N 0.862 119.639 118.700 0.129 0.000 2.688 277 N HA -0.252 4.488 4.740 0.000 0.000 0.258 277 N C -0.789 174.871 175.510 0.250 0.000 1.016 277 N CA 1.041 54.198 53.050 0.177 0.000 0.747 277 N CB -0.892 37.712 38.487 0.195 0.000 0.895 277 N HN 0.216 nan 8.380 nan 0.000 0.543 278 F N 0.040 119.992 119.950 0.003 0.000 2.690 278 F HA 0.295 4.823 4.527 0.000 0.000 0.311 278 F C -2.324 173.473 175.800 -0.004 0.000 1.111 278 F CA -1.482 56.515 58.000 -0.004 0.000 1.003 278 F CB 1.747 40.731 39.000 -0.027 0.000 1.283 278 F HN -0.155 nan 8.300 nan 0.000 0.442 279 P HA 0.235 nan 4.420 nan 0.000 0.225 279 P C -0.159 177.146 177.300 0.008 0.000 1.813 279 P CA 0.297 63.299 63.100 -0.163 0.000 1.013 279 P CB 0.510 32.053 31.700 -0.262 0.000 1.961 280 A N 2.560 125.508 122.820 0.213 0.000 1.898 280 A HA -0.102 4.218 4.320 0.000 0.000 0.216 280 A C 2.086 179.768 177.584 0.163 0.000 1.181 280 A CA 1.061 53.264 52.037 0.276 0.000 0.620 280 A CB -1.072 18.046 19.000 0.196 0.000 0.819 280 A HN 0.339 nan 8.150 nan 0.000 0.442 281 L N -0.716 120.599 121.223 0.154 0.000 2.056 281 L HA -0.211 4.129 4.340 0.000 0.000 0.207 281 L C 2.897 179.914 176.870 0.245 0.000 1.078 281 L CA 1.164 56.144 54.840 0.233 0.000 0.749 281 L CB -0.570 41.619 42.059 0.216 0.000 0.901 281 L HN 0.390 nan 8.230 nan 0.000 0.433 282 Q N -0.434 119.451 119.800 0.142 0.000 2.124 282 Q HA -0.161 4.179 4.340 0.000 0.000 0.202 282 Q C 2.230 178.283 176.000 0.089 0.000 0.977 282 Q CA 1.986 57.853 55.803 0.106 0.000 0.850 282 Q CB -0.614 28.145 28.738 0.034 0.000 0.901 282 Q HN 0.499 nan 8.270 nan 0.000 0.429 283 T N 1.187 115.790 114.554 0.082 0.000 2.788 283 T HA -0.144 4.206 4.350 0.000 0.000 0.268 283 T C 1.824 176.581 174.700 0.094 0.000 1.044 283 T CA 1.438 63.593 62.100 0.092 0.000 1.139 283 T CB -0.141 68.823 68.868 0.161 0.000 0.867 283 T HN 0.145 nan 8.240 nan 0.000 0.454 284 M N -0.217 119.410 119.600 0.044 0.000 2.200 284 M HA 0.144 4.624 4.480 0.000 0.000 0.265 284 M C 0.817 176.980 176.300 -0.227 0.000 1.066 284 M CA 1.653 56.891 55.300 -0.103 0.000 1.127 284 M CB -0.025 32.369 32.600 -0.344 0.000 1.379 284 M HN 0.192 nan 8.290 nan 0.000 0.420 285 F N -1.793 118.209 119.950 0.086 0.000 2.778 285 F HA 0.457 4.984 4.527 0.000 0.000 0.314 285 F C 2.027 177.803 175.800 -0.040 0.000 1.073 285 F CA 0.201 58.219 58.000 0.031 0.000 1.218 285 F CB -0.929 38.138 39.000 0.110 0.000 1.037 285 F HN 0.083 nan 8.300 nan 0.000 0.594 286 A N 1.541 124.435 122.820 0.123 0.000 1.892 286 A HA -0.144 4.176 4.320 0.000 0.000 0.218 286 A C -0.447 177.135 177.584 -0.003 0.000 1.188 286 A CA 2.048 54.120 52.037 0.059 0.000 0.631 286 A CB -1.999 17.022 19.000 0.035 0.000 0.822 286 A HN 0.201 nan 8.150 nan 0.000 0.447 287 P HA 0.164 nan 4.420 nan 0.000 0.249 287 P C -0.047 177.196 177.300 -0.094 0.000 1.229 287 P CA 0.174 63.205 63.100 -0.115 0.000 0.788 287 P CB -0.106 31.463 31.700 -0.219 0.000 1.072 288 V N 3.218 123.052 119.914 -0.132 0.000 2.572 288 V HA 0.014 4.134 4.120 0.000 0.000 0.291 288 V C 1.419 177.555 176.094 0.070 0.000 1.039 288 V CA 0.839 63.127 62.300 -0.020 0.000 1.055 288 V CB 0.614 32.459 31.823 0.036 0.000 0.969 288 V HN 0.189 nan 8.190 nan 0.000 0.482 289 D N 2.956 123.412 120.400 0.094 0.000 2.469 289 D HA 0.189 4.829 4.640 0.000 0.000 0.213 289 D C -0.207 176.124 176.300 0.052 0.000 1.135 289 D CA -0.103 53.940 54.000 0.072 0.000 0.834 289 D CB 0.691 41.532 40.800 0.069 0.000 1.009 289 D HN 0.314 nan 8.370 nan 0.000 0.507 290 L N 0.877 122.127 121.223 0.045 0.000 2.562 290 L HA 0.461 4.801 4.340 0.000 0.000 0.266 290 L C -1.889 174.963 176.870 -0.030 0.000 0.949 290 L CA -0.846 54.004 54.840 0.016 0.000 0.879 290 L CB 2.226 44.316 42.059 0.052 0.000 1.278 290 L HN -0.169 nan 8.230 nan 0.000 0.404 291 V N 6.287 126.115 119.914 -0.144 0.000 2.357 291 V HA 0.482 4.602 4.120 0.000 0.000 0.284 291 V C -0.359 175.570 176.094 -0.275 0.000 1.018 291 V CA -0.409 61.719 62.300 -0.287 0.000 0.841 291 V CB 1.488 32.873 31.823 -0.730 0.000 0.991 291 V HN 0.576 nan 8.190 nan 0.000 0.437 292 L N 5.083 126.197 121.223 -0.181 0.000 2.264 292 L HA 0.428 4.768 4.340 0.000 0.000 0.287 292 L C 0.738 177.506 176.870 -0.171 0.000 1.039 292 L CA -0.099 54.643 54.840 -0.164 0.000 0.829 292 L CB 1.568 43.567 42.059 -0.100 0.000 1.211 292 L HN 0.771 nan 8.230 nan 0.000 0.427 293 T N 0.373 114.811 114.554 -0.193 0.000 2.863 293 T HA 0.411 4.761 4.350 0.000 0.000 0.299 293 T C 0.034 174.731 174.700 -0.005 0.000 0.973 293 T CA -0.703 61.352 62.100 -0.074 0.000 0.994 293 T CB 0.207 69.027 68.868 -0.079 0.000 0.961 293 T HN 0.137 nan 8.240 nan 0.000 0.552 294 V N 3.648 123.561 119.914 -0.003 0.000 2.389 294 V HA 0.578 4.698 4.120 0.000 0.000 0.264 294 V C 1.428 177.540 176.094 0.029 0.000 1.049 294 V CA 0.133 62.419 62.300 -0.022 0.000 0.932 294 V CB -0.078 31.750 31.823 0.008 0.000 1.011 294 V HN 1.287 nan 8.190 nan 0.000 0.475 295 G N 3.892 112.701 108.800 0.014 0.000 2.225 295 G HA2 -0.312 3.648 3.960 0.000 0.000 0.264 295 G HA3 -0.312 3.648 3.960 0.000 0.000 0.264 295 G C -0.180 174.769 174.900 0.082 0.000 1.060 295 G CA -0.025 45.095 45.100 0.034 0.000 0.833 295 G HN 0.878 nan 8.290 nan 0.000 0.498 296 Y N 0.980 121.294 120.300 0.024 0.000 2.597 296 Y HA 0.454 5.004 4.550 0.000 0.000 0.336 296 Y C 0.228 176.186 175.900 0.097 0.000 1.216 296 Y CA 0.473 58.627 58.100 0.090 0.000 1.463 296 Y CB 1.032 39.601 38.460 0.181 0.000 1.303 296 Y HN 0.223 nan 8.280 nan 0.000 0.576 297 D N 4.715 124.682 120.400 -0.722 0.000 2.613 297 D HA 0.011 4.651 4.640 0.000 0.000 0.230 297 D C -0.175 175.758 176.300 -0.613 0.000 1.365 297 D CA -0.499 53.237 54.000 -0.440 0.000 0.976 297 D CB 0.317 40.997 40.800 -0.201 0.000 1.415 297 D HN 0.576 nan 8.370 nan 0.000 0.589 298 Y N 3.475 123.475 120.300 -0.501 0.000 2.298 298 Y HA -0.127 4.423 4.550 0.000 0.000 0.287 298 Y C 1.902 177.680 175.900 -0.202 0.000 1.164 298 Y CA 2.119 60.069 58.100 -0.250 0.000 1.229 298 Y CB -0.101 38.365 38.460 0.009 0.000 0.977 298 Y HN 0.531 nan 8.280 nan 0.000 0.538 299 A N -0.206 122.530 122.820 -0.139 0.000 2.067 299 A HA -0.139 4.182 4.320 0.000 0.000 0.219 299 A C 1.944 179.386 177.584 -0.236 0.000 1.158 299 A CA 1.390 53.316 52.037 -0.185 0.000 0.661 299 A CB -0.549 18.391 19.000 -0.099 0.000 0.801 299 A HN 0.600 nan 8.150 nan 0.000 0.452 300 E N -1.013 119.032 120.200 -0.259 0.000 2.516 300 E HA -0.055 4.295 4.350 0.000 0.000 0.199 300 E C 0.050 176.401 176.600 -0.416 0.000 1.069 300 E CA 0.358 56.582 56.400 -0.294 0.000 0.876 300 E CB -0.039 29.521 29.700 -0.232 0.000 0.843 300 E HN 0.489 nan 8.360 nan 0.000 0.530 301 D N -0.178 119.993 120.400 -0.383 0.000 3.090 301 D HA -0.168 4.472 4.640 0.000 0.000 0.215 301 D C -0.935 175.199 176.300 -0.278 0.000 1.140 301 D CA 0.300 54.072 54.000 -0.379 0.000 0.937 301 D CB -0.815 39.753 40.800 -0.386 0.000 1.108 301 D HN 0.098 nan 8.370 nan 0.000 0.420 302 L N 1.674 122.790 121.223 -0.179 0.000 2.288 302 L HA 0.421 4.761 4.340 0.000 0.000 0.283 302 L C 0.219 177.148 176.870 0.097 0.000 1.072 302 L CA 0.003 54.846 54.840 0.004 0.000 0.862 302 L CB 0.122 42.249 42.059 0.113 0.000 1.245 302 L HN 0.000 nan 8.230 nan 0.000 0.432 303 R N 5.261 125.734 120.500 -0.046 0.000 2.532 303 R HA 0.374 4.714 4.340 0.000 0.000 0.272 303 R C -1.563 174.379 176.300 -0.596 0.000 1.032 303 R CA -1.625 54.426 56.100 -0.082 0.000 1.089 303 R CB 0.148 30.407 30.300 -0.068 0.000 1.098 303 R HN 0.332 nan 8.270 nan 0.000 0.526 304 P HA -0.241 nan 4.420 nan 0.000 0.216 304 P C 1.203 177.680 177.300 -1.371 0.000 1.150 304 P CA 1.671 63.583 63.100 -1.979 0.000 0.843 304 P CB 0.085 31.114 31.700 -1.118 0.000 0.787 305 S N -1.732 113.551 115.700 -0.695 0.000 2.419 305 S HA -0.197 4.273 4.470 0.000 0.000 0.235 305 S C 1.872 176.215 174.600 -0.429 0.000 1.019 305 S CA 1.381 59.308 58.200 -0.454 0.000 0.982 305 S CB -1.345 61.695 63.200 -0.266 0.000 0.789 305 S HN 0.084 nan 8.310 nan 0.000 0.490 306 M N 0.257 119.576 119.600 -0.468 0.000 2.200 306 M HA 0.097 4.577 4.480 0.000 0.000 0.265 306 M C 1.920 177.901 176.300 -0.532 0.000 1.066 306 M CA 1.477 56.579 55.300 -0.330 0.000 1.127 306 M CB -0.360 32.138 32.600 -0.171 0.000 1.379 306 M HN 0.792 nan 8.290 nan 0.000 0.420 307 W N -0.115 120.739 121.300 -0.743 0.000 3.197 307 W HA 0.200 4.860 4.660 0.000 0.000 0.274 307 W C 0.044 176.268 176.519 -0.491 0.000 1.297 307 W CA -0.244 56.416 57.345 -1.142 0.000 1.662 307 W CB -0.803 28.059 29.460 -0.997 0.000 1.106 307 W HN 0.025 nan 8.180 nan 0.000 0.663 308 Q N 2.500 122.095 119.800 -0.341 0.000 3.181 308 Q HA 0.132 4.472 4.340 0.000 0.000 0.293 308 Q C -0.408 175.553 176.000 -0.066 0.000 1.406 308 Q CA 0.320 56.040 55.803 -0.138 0.000 1.026 308 Q CB -0.029 28.567 28.738 -0.236 0.000 1.630 308 Q HN -0.100 nan 8.270 nan 0.000 0.553 309 K N 0.247 120.656 120.400 0.015 0.000 2.371 309 K HA 0.603 4.923 4.320 0.000 0.000 0.251 309 K C 0.480 177.123 176.600 0.073 0.000 0.934 309 K CA -0.101 56.217 56.287 0.051 0.000 0.798 309 K CB 1.928 34.500 32.500 0.121 0.000 1.204 309 K HN 0.444 nan 8.250 nan 0.000 0.427 310 G N 2.604 111.432 108.800 0.046 0.000 2.561 310 G HA2 -0.324 3.636 3.960 0.000 0.000 0.289 310 G HA3 -0.324 3.636 3.960 0.000 0.000 0.289 310 G C 0.273 175.196 174.900 0.039 0.000 1.169 310 G CA 0.213 45.337 45.100 0.040 0.000 0.980 310 G HN 0.776 nan 8.290 nan 0.000 0.550 311 I N -0.449 120.148 120.570 0.045 0.000 3.004 311 I HA 0.580 4.750 4.170 0.000 0.000 0.287 311 I C 0.371 176.520 176.117 0.054 0.000 1.144 311 I CA -0.640 60.686 61.300 0.044 0.000 1.353 311 I CB 0.501 38.528 38.000 0.045 0.000 1.417 311 I HN 0.410 nan 8.210 nan 0.000 0.602 312 E N 3.144 123.372 120.200 0.047 0.000 2.376 312 E HA 0.174 4.524 4.350 0.000 0.000 0.266 312 E C -0.838 175.801 176.600 0.065 0.000 1.009 312 E CA 0.178 56.610 56.400 0.054 0.000 0.902 312 E CB 0.847 30.572 29.700 0.041 0.000 0.972 312 E HN 0.451 nan 8.360 nan 0.000 0.439 313 K N 2.264 122.715 120.400 0.084 0.000 2.207 313 K HA 0.307 4.627 4.320 0.000 0.000 0.255 313 K C -0.017 176.624 176.600 0.067 0.000 0.941 313 K CA -0.756 55.576 56.287 0.076 0.000 0.825 313 K CB 1.584 34.138 32.500 0.090 0.000 1.119 313 K HN 0.073 nan 8.250 nan 0.000 0.430 314 K N 1.391 121.817 120.400 0.043 0.000 2.144 314 K HA 0.291 4.612 4.320 0.000 0.000 0.270 314 K C -0.181 176.423 176.600 0.006 0.000 1.005 314 K CA -0.336 55.973 56.287 0.037 0.000 0.932 314 K CB 1.385 33.906 32.500 0.035 0.000 1.021 314 K HN 0.827 nan 8.250 nan 0.000 0.462 315 T N -2.308 112.256 114.554 0.017 0.000 2.876 315 T HA 0.529 4.879 4.350 0.000 0.000 0.289 315 T C -0.443 174.238 174.700 -0.033 0.000 1.014 315 T CA -0.876 61.211 62.100 -0.021 0.000 0.986 315 T CB 1.453 70.404 68.868 0.138 0.000 1.021 315 T HN 0.138 nan 8.240 nan 0.000 0.458 316 V N 2.492 122.355 119.914 -0.084 0.000 2.443 316 V HA 0.550 4.670 4.120 0.000 0.000 0.293 316 V C 0.123 176.121 176.094 -0.160 0.000 1.021 316 V CA -0.956 61.272 62.300 -0.120 0.000 0.848 316 V CB 1.488 33.240 31.823 -0.120 0.000 0.998 316 V HN 0.971 nan 8.190 nan 0.000 0.424 317 R N 4.433 124.815 120.500 -0.195 0.000 2.254 317 R HA 0.722 5.062 4.340 0.000 0.000 0.318 317 R C -1.406 174.745 176.300 -0.248 0.000 1.031 317 R CA -0.439 55.550 56.100 -0.184 0.000 0.905 317 R CB 0.880 30.988 30.300 -0.319 0.000 1.050 317 R HN 0.654 nan 8.270 nan 0.000 0.456 318 I N 2.616 123.037 120.570 -0.248 0.000 2.447 318 I HA 0.348 4.518 4.170 0.000 0.000 0.287 318 I C -0.626 175.392 176.117 -0.165 0.000 1.023 318 I CA -0.116 60.971 61.300 -0.355 0.000 1.083 318 I CB 2.133 39.715 38.000 -0.697 0.000 1.245 318 I HN 0.545 nan 8.210 nan 0.000 0.434 319 S N 6.436 122.048 115.700 -0.145 0.000 2.556 319 S HA 0.506 4.976 4.470 0.000 0.000 0.280 319 S C -2.685 171.855 174.600 -0.100 0.000 1.141 319 S CA -0.831 57.325 58.200 -0.073 0.000 0.883 319 S CB 1.976 65.177 63.200 0.001 0.000 1.103 319 S HN 0.389 nan 8.310 nan 0.000 0.453 320 P HA 0.196 nan 4.420 nan 0.000 0.253 320 P C -0.082 177.182 177.300 -0.060 0.000 1.508 320 P CA 0.090 63.134 63.100 -0.094 0.000 0.883 320 P CB -0.788 30.863 31.700 -0.080 0.000 1.519 321 T N -3.915 110.612 114.554 -0.044 0.000 2.903 321 T HA 0.417 4.767 4.350 0.000 0.000 0.299 321 T C -0.240 174.444 174.700 -0.027 0.000 1.093 321 T CA -0.786 61.299 62.100 -0.025 0.000 1.002 321 T CB 1.355 70.220 68.868 -0.005 0.000 1.127 321 T HN -0.234 nan 8.240 nan 0.000 0.488 322 V N 2.883 122.784 119.914 -0.022 0.000 2.740 322 V HA 0.189 4.309 4.120 0.000 0.000 0.303 322 V C 1.045 177.128 176.094 -0.017 0.000 1.054 322 V CA -0.607 61.678 62.300 -0.025 0.000 1.106 322 V CB 0.344 32.156 31.823 -0.019 0.000 0.957 322 V HN 0.998 nan 8.190 nan 0.000 0.486 323 N N 6.932 125.612 118.700 -0.033 0.000 2.414 323 N HA 0.039 4.779 4.740 0.000 0.000 0.268 323 N C -1.036 174.464 175.510 -0.016 0.000 1.286 323 N CA -1.265 51.769 53.050 -0.028 0.000 0.896 323 N CB 0.949 39.383 38.487 -0.089 0.000 1.093 323 N HN 0.429 nan 8.380 nan 0.000 0.480 324 P HA 0.064 nan 4.420 nan 0.000 0.240 324 P C 0.217 177.505 177.300 -0.019 0.000 1.190 324 P CA 0.675 63.777 63.100 0.003 0.000 0.781 324 P CB -0.001 31.715 31.700 0.028 0.000 0.931 325 I N -3.818 116.726 120.570 -0.043 0.000 2.944 325 I HA 0.402 4.572 4.170 0.000 0.000 0.334 325 I C -1.953 174.107 176.117 -0.094 0.000 1.420 325 I CA -2.434 58.803 61.300 -0.105 0.000 0.856 325 I CB 1.206 39.047 38.000 -0.264 0.000 2.091 325 I HN -0.338 nan 8.210 nan 0.000 0.571 326 P HA -0.197 nan 4.420 nan 0.000 0.222 326 P C 1.498 178.764 177.300 -0.057 0.000 1.147 326 P CA 1.164 64.224 63.100 -0.067 0.000 0.790 326 P CB 0.122 31.786 31.700 -0.060 0.000 0.780 327 R N 0.280 120.744 120.500 -0.061 0.000 2.096 327 R HA -0.067 4.273 4.340 0.000 0.000 0.235 327 R C 1.716 177.977 176.300 -0.065 0.000 1.127 327 R CA 1.461 57.528 56.100 -0.055 0.000 0.968 327 R CB -0.271 29.998 30.300 -0.051 0.000 0.861 327 R HN 0.056 nan 8.270 nan 0.000 0.440 328 V N -0.968 118.884 119.914 -0.104 0.000 2.788 328 V HA 0.036 4.156 4.120 0.000 0.000 0.241 328 V C 0.018 176.085 176.094 -0.046 0.000 1.083 328 V CA 0.440 62.663 62.300 -0.130 0.000 1.103 328 V CB 0.029 31.665 31.823 -0.312 0.000 0.800 328 V HN 0.202 nan 8.190 nan 0.000 0.476 329 Y N 2.273 122.460 120.300 -0.188 0.000 2.332 329 Y HA 0.552 5.102 4.550 0.000 0.000 0.326 329 Y C -0.090 175.757 175.900 -0.088 0.000 0.978 329 Y CA -1.992 56.029 58.100 -0.133 0.000 1.205 329 Y CB 0.801 39.170 38.460 -0.153 0.000 1.131 329 Y HN 0.059 nan 8.280 nan 0.000 0.462 330 R N 7.558 128.097 120.500 0.065 0.000 2.423 330 R HA 0.307 4.647 4.340 0.000 0.000 0.293 330 R C -2.572 173.651 176.300 -0.129 0.000 1.196 330 R CA -1.679 54.363 56.100 -0.098 0.000 1.262 330 R CB 0.774 31.055 30.300 -0.033 0.000 1.116 330 R HN 0.477 nan 8.270 nan 0.000 0.566 331 P HA -0.009 nan 4.420 nan 0.000 0.269 331 P C -0.011 177.217 177.300 -0.119 0.000 1.209 331 P CA -0.106 62.825 63.100 -0.281 0.000 0.776 331 P CB 1.118 32.502 31.700 -0.527 0.000 0.876 332 D N 0.048 120.423 120.400 -0.041 0.000 2.178 332 D HA -0.018 4.622 4.640 0.000 0.000 0.202 332 D C 0.308 176.588 176.300 -0.034 0.000 0.974 332 D CA 1.381 55.369 54.000 -0.021 0.000 0.841 332 D CB 0.333 41.138 40.800 0.009 0.000 0.953 332 D HN 0.113 nan 8.370 nan 0.000 0.478 333 V N 1.254 121.135 119.914 -0.055 0.000 2.525 333 V HA 0.170 4.290 4.120 0.000 0.000 0.299 333 V C -0.862 175.168 176.094 -0.107 0.000 1.034 333 V CA -0.900 61.371 62.300 -0.048 0.000 0.863 333 V CB 2.486 34.308 31.823 -0.002 0.000 0.999 333 V HN -0.149 nan 8.190 nan 0.000 0.423 334 D N 3.558 123.897 120.400 -0.102 0.000 2.414 334 D HA 0.471 5.111 4.640 0.000 0.000 0.232 334 D C -0.782 175.468 176.300 -0.084 0.000 1.070 334 D CA -0.121 53.797 54.000 -0.137 0.000 0.839 334 D CB 1.971 42.684 40.800 -0.146 0.000 1.079 334 D HN 0.277 nan 8.370 nan 0.000 0.521 335 V N 4.463 124.302 119.914 -0.124 0.000 2.294 335 V HA 0.253 4.373 4.120 0.000 0.000 0.272 335 V C 0.285 176.305 176.094 -0.123 0.000 1.027 335 V CA -0.838 61.416 62.300 -0.077 0.000 0.823 335 V CB 1.416 33.144 31.823 -0.158 0.000 1.030 335 V HN 0.320 nan 8.190 nan 0.000 0.457 336 V N 4.971 124.847 119.914 -0.063 0.000 2.304 336 V HA 0.619 4.739 4.120 0.000 0.000 0.262 336 V C 0.316 176.281 176.094 -0.215 0.000 1.061 336 V CA 0.380 62.614 62.300 -0.110 0.000 0.872 336 V CB 0.760 32.548 31.823 -0.058 0.000 1.077 336 V HN 1.003 nan 8.190 nan 0.000 0.480 337 T N 2.403 116.757 114.554 -0.333 0.000 2.677 337 T HA 0.248 4.598 4.350 0.000 0.000 0.305 337 T C -1.520 172.940 174.700 -0.399 0.000 1.569 337 T CA -0.630 61.120 62.100 -0.584 0.000 0.984 337 T CB 1.737 69.810 68.868 -1.326 0.000 1.629 337 T HN 0.667 nan 8.240 nan 0.000 0.494 338 D N 0.691 120.852 120.400 -0.399 0.000 2.424 338 D HA 0.238 4.878 4.640 0.000 0.000 0.244 338 D C 1.538 177.746 176.300 -0.153 0.000 1.134 338 D CA 0.149 54.018 54.000 -0.217 0.000 0.881 338 D CB 0.881 41.583 40.800 -0.164 0.000 1.191 338 D HN 0.255 nan 8.370 nan 0.000 0.445 339 V N 3.912 123.787 119.914 -0.063 0.000 2.343 339 V HA -0.208 3.912 4.120 0.000 0.000 0.247 339 V C 2.165 178.311 176.094 0.086 0.000 1.051 339 V CA 1.389 63.703 62.300 0.024 0.000 1.036 339 V CB -0.726 31.110 31.823 0.022 0.000 0.654 339 V HN 0.614 nan 8.190 nan 0.000 0.451 340 L N 1.033 122.278 121.223 0.035 0.000 2.017 340 L HA -0.066 4.274 4.340 0.000 0.000 0.208 340 L C 2.462 179.364 176.870 0.053 0.000 1.073 340 L CA 2.382 57.248 54.840 0.042 0.000 0.745 340 L CB -1.076 40.998 42.059 0.025 0.000 0.894 340 L HN 0.216 nan 8.230 nan 0.000 0.432 341 A N -0.855 121.979 122.820 0.024 0.000 1.940 341 A HA -0.272 4.048 4.320 0.000 0.000 0.219 341 A C 2.271 179.955 177.584 0.167 0.000 1.176 341 A CA 1.844 53.920 52.037 0.065 0.000 0.631 341 A CB -1.219 17.753 19.000 -0.047 0.000 0.814 341 A HN 0.601 nan 8.150 nan 0.000 0.446 342 F N 0.887 120.804 119.950 -0.056 0.000 2.102 342 F HA -0.151 4.376 4.527 0.000 0.000 0.298 342 F C 2.097 178.029 175.800 0.220 0.000 1.105 342 F CA 2.012 60.083 58.000 0.118 0.000 1.239 342 F CB -0.531 38.443 39.000 -0.045 0.000 0.991 342 F HN 0.012 nan 8.300 nan 0.000 0.474 343 V N 0.849 120.651 119.914 -0.187 0.000 2.407 343 V HA -0.273 3.847 4.120 0.000 0.000 0.248 343 V C 2.280 178.304 176.094 -0.115 0.000 1.055 343 V CA 2.311 64.453 62.300 -0.262 0.000 1.049 343 V CB -0.762 31.046 31.823 -0.026 0.000 0.662 343 V HN 0.386 nan 8.190 nan 0.000 0.455 344 E N -0.561 119.637 120.200 -0.004 0.000 2.106 344 E HA -0.249 4.101 4.350 0.000 0.000 0.192 344 E C 2.125 178.752 176.600 0.045 0.000 0.984 344 E CA 1.455 57.872 56.400 0.028 0.000 0.806 344 E CB -0.215 29.523 29.700 0.064 0.000 0.750 344 E HN 0.788 nan 8.360 nan 0.000 0.458 345 H N -0.596 118.492 119.070 0.030 0.000 2.428 345 H HA -0.095 4.461 4.556 0.000 0.000 0.296 345 H C 1.695 176.997 175.328 -0.043 0.000 1.062 345 H CA 1.083 57.147 56.048 0.028 0.000 1.350 345 H CB 0.019 29.870 29.762 0.148 0.000 1.403 345 H HN 0.083 nan 8.280 nan 0.000 0.533 346 F N 1.189 121.010 119.950 -0.215 0.000 2.259 346 F HA -0.074 4.453 4.527 0.000 0.000 0.298 346 F C 2.174 177.791 175.800 -0.304 0.000 1.088 346 F CA 1.014 58.815 58.000 -0.332 0.000 1.358 346 F CB 0.029 38.613 39.000 -0.694 0.000 1.040 346 F HN 0.191 nan 8.300 nan 0.000 0.505 347 E N -0.322 119.785 120.200 -0.155 0.000 2.031 347 E HA -0.172 4.178 4.350 0.000 0.000 0.193 347 E C 2.206 178.637 176.600 -0.280 0.000 0.994 347 E CA 1.989 58.270 56.400 -0.197 0.000 0.800 347 E CB -0.769 28.868 29.700 -0.106 0.000 0.752 347 E HN 0.324 nan 8.360 nan 0.000 0.447 348 T N 1.365 115.760 114.554 -0.264 0.000 2.684 348 T HA -0.138 4.213 4.350 0.000 0.000 0.267 348 T C 1.955 176.432 174.700 -0.372 0.000 1.036 348 T CA 1.644 63.572 62.100 -0.287 0.000 1.148 348 T CB -0.262 68.434 68.868 -0.287 0.000 0.863 348 T HN 0.270 nan 8.240 nan 0.000 0.436 349 A N 1.455 123.992 122.820 -0.471 0.000 2.015 349 A HA -0.043 4.277 4.320 0.000 0.000 0.219 349 A C 2.291 179.434 177.584 -0.735 0.000 1.163 349 A CA 1.782 53.528 52.037 -0.486 0.000 0.646 349 A CB -0.688 18.069 19.000 -0.406 0.000 0.806 349 A HN 0.605 nan 8.150 nan 0.000 0.448 350 T N -4.349 109.636 114.554 -0.949 0.000 3.174 350 T HA 0.576 4.926 4.350 0.000 0.000 0.269 350 T C 1.353 175.579 174.700 -0.791 0.000 1.017 350 T CA 0.690 61.902 62.100 -1.480 0.000 0.899 350 T CB 0.343 68.354 68.868 -1.427 0.000 1.077 350 T HN 0.408 nan 8.240 nan 0.000 0.552 351 A N 2.426 124.966 122.820 -0.465 0.000 1.940 351 A HA -0.043 4.277 4.320 0.000 0.000 0.219 351 A C 2.478 179.984 177.584 -0.130 0.000 1.176 351 A CA 1.882 53.776 52.037 -0.238 0.000 0.631 351 A CB -0.868 18.026 19.000 -0.176 0.000 0.814 351 A HN 0.806 nan 8.150 nan 0.000 0.446 352 S N -1.673 113.980 115.700 -0.077 0.000 2.577 352 S HA 0.351 4.822 4.470 0.000 0.000 0.219 352 S C -0.019 174.705 174.600 0.206 0.000 0.962 352 S CA -0.675 57.555 58.200 0.051 0.000 0.921 352 S CB -0.358 62.874 63.200 0.053 0.000 0.789 352 S HN 0.095 nan 8.310 nan 0.000 0.497 353 F N 3.113 123.016 119.950 -0.077 0.000 2.518 353 F HA 0.558 5.085 4.527 0.000 0.000 0.359 353 F C 1.500 177.273 175.800 -0.045 0.000 1.118 353 F CA -1.177 56.784 58.000 -0.066 0.000 1.287 353 F CB -0.166 38.783 39.000 -0.085 0.000 1.132 353 F HN 0.209 nan 8.300 nan 0.000 0.587 354 G N 1.247 110.116 108.800 0.114 0.000 2.442 354 G HA2 0.444 4.404 3.960 0.000 0.000 0.249 354 G HA3 0.444 4.404 3.960 0.000 0.000 0.249 354 G C -0.345 174.596 174.900 0.068 0.000 1.263 354 G CA -0.334 44.801 45.100 0.057 0.000 0.846 354 G HN 0.915 nan 8.290 nan 0.000 0.555 355 A N 2.147 125.000 122.820 0.055 0.000 2.483 355 A HA 0.459 4.779 4.320 0.000 0.000 0.238 355 A C 0.630 178.238 177.584 0.040 0.000 1.070 355 A CA -0.022 52.048 52.037 0.054 0.000 0.770 355 A CB 0.352 19.379 19.000 0.046 0.000 1.008 355 A HN 0.536 nan 8.150 nan 0.000 0.497 356 K N 1.528 121.957 120.400 0.048 0.000 2.098 356 K HA 0.262 4.583 4.320 0.000 0.000 0.261 356 K C -0.198 176.435 176.600 0.055 0.000 0.987 356 K CA -0.489 55.819 56.287 0.035 0.000 0.916 356 K CB 0.681 33.210 32.500 0.049 0.000 1.039 356 K HN 0.693 nan 8.250 nan 0.000 0.455 357 Q N 2.400 122.232 119.800 0.054 0.000 2.293 357 Q HA 0.075 4.415 4.340 0.000 0.000 0.263 357 Q C 0.336 176.481 176.000 0.241 0.000 1.002 357 Q CA 0.029 55.905 55.803 0.122 0.000 0.910 357 Q CB 0.646 29.460 28.738 0.128 0.000 1.185 357 Q HN 0.466 nan 8.270 nan 0.000 0.401 358 R N 2.442 123.064 120.500 0.203 0.000 2.459 358 R HA 0.288 4.628 4.340 0.000 0.000 0.281 358 R C 0.220 176.633 176.300 0.187 0.000 1.050 358 R CA -0.687 55.540 56.100 0.212 0.000 1.055 358 R CB 0.634 30.976 30.300 0.070 0.000 1.045 358 R HN 0.593 nan 8.270 nan 0.000 0.495 359 H N 0.308 119.422 119.070 0.074 0.000 2.707 359 H HA 0.081 4.638 4.556 0.000 0.000 0.359 359 H C -0.984 174.375 175.328 0.050 0.000 1.113 359 H CA -0.553 55.421 56.048 -0.123 0.000 1.422 359 H CB 0.822 30.371 29.762 -0.356 0.000 1.443 359 H HN 0.683 nan 8.280 nan 0.000 0.591 360 D N 2.735 123.165 120.400 0.051 0.000 2.339 360 D HA 0.069 4.709 4.640 0.000 0.000 0.256 360 D C 1.035 177.324 176.300 -0.018 0.000 1.214 360 D CA -0.389 53.612 54.000 0.001 0.000 0.877 360 D CB -0.075 40.741 40.800 0.026 0.000 1.111 360 D HN 0.657 nan 8.370 nan 0.000 0.478 361 I N 0.424 120.896 120.570 -0.162 0.000 3.927 361 I HA 0.294 4.464 4.170 0.000 0.000 0.332 361 I C 0.946 176.969 176.117 -0.156 0.000 1.485 361 I CA -0.460 60.733 61.300 -0.178 0.000 1.131 361 I CB 0.477 38.245 38.000 -0.387 0.000 1.092 361 I HN 0.066 nan 8.210 nan 0.000 0.410 362 E N 2.410 122.544 120.200 -0.110 0.000 2.130 362 E HA -0.132 4.219 4.350 0.000 0.000 0.196 362 E C -0.406 176.160 176.600 -0.056 0.000 0.998 362 E CA 1.535 57.885 56.400 -0.084 0.000 0.806 362 E CB -1.558 28.113 29.700 -0.048 0.000 0.738 362 E HN 0.509 nan 8.360 nan 0.000 0.459 363 P HA -0.122 nan 4.420 nan 0.000 0.217 363 P C 1.702 178.944 177.300 -0.098 0.000 1.150 363 P CA 0.700 63.834 63.100 0.056 0.000 0.832 363 P CB -0.041 31.793 31.700 0.224 0.000 0.787 364 L N -0.244 120.926 121.223 -0.088 0.000 2.056 364 L HA -0.062 4.278 4.340 0.000 0.000 0.207 364 L C 2.269 178.954 176.870 -0.308 0.000 1.078 364 L CA 1.805 56.455 54.840 -0.317 0.000 0.749 364 L CB -0.944 41.080 42.059 -0.059 0.000 0.901 364 L HN -0.233 nan 8.230 nan 0.000 0.433 365 R N -0.557 119.823 120.500 -0.201 0.000 2.081 365 R HA -0.079 4.261 4.340 0.000 0.000 0.235 365 R C 2.226 178.438 176.300 -0.147 0.000 1.131 365 R CA 1.303 57.306 56.100 -0.161 0.000 0.960 365 R CB -0.530 29.684 30.300 -0.144 0.000 0.856 365 R HN 0.551 nan 8.270 nan 0.000 0.436 366 A N 0.727 123.458 122.820 -0.148 0.000 1.929 366 A HA -0.146 4.174 4.320 0.000 0.000 0.216 366 A C 2.056 179.550 177.584 -0.149 0.000 1.176 366 A CA 1.159 53.128 52.037 -0.114 0.000 0.628 366 A CB -0.279 18.674 19.000 -0.077 0.000 0.816 366 A HN 0.110 nan 8.150 nan 0.000 0.444 367 R N 0.413 120.747 120.500 -0.277 0.000 2.070 367 R HA -0.038 4.302 4.340 0.000 0.000 0.233 367 R C 1.782 177.950 176.300 -0.219 0.000 1.137 367 R CA 1.971 57.869 56.100 -0.336 0.000 0.945 367 R CB -0.835 28.972 30.300 -0.823 0.000 0.845 367 R HN 0.501 nan 8.270 nan 0.000 0.430 368 I N 0.469 120.897 120.570 -0.237 0.000 2.194 368 I HA -0.323 3.847 4.170 0.000 0.000 0.246 368 I C 2.293 178.343 176.117 -0.111 0.000 1.093 368 I CA 1.626 62.837 61.300 -0.148 0.000 1.355 368 I CB -0.427 37.549 38.000 -0.039 0.000 1.046 368 I HN 0.383 nan 8.210 nan 0.000 0.413 369 A N -0.059 122.711 122.820 -0.083 0.000 1.930 369 A HA -0.256 4.064 4.320 0.000 0.000 0.217 369 A C 2.287 179.846 177.584 -0.041 0.000 1.175 369 A CA 1.842 53.847 52.037 -0.055 0.000 0.627 369 A CB -0.581 18.392 19.000 -0.045 0.000 0.815 369 A HN 0.523 nan 8.150 nan 0.000 0.443 370 E N -1.279 118.899 120.200 -0.036 0.000 2.051 370 E HA -0.198 4.152 4.350 0.000 0.000 0.192 370 E C 1.707 178.299 176.600 -0.013 0.000 0.991 370 E CA 1.158 57.548 56.400 -0.018 0.000 0.799 370 E CB -0.293 29.401 29.700 -0.010 0.000 0.748 370 E HN 0.500 nan 8.360 nan 0.000 0.449 371 F N 1.209 121.030 119.950 -0.217 0.000 2.063 371 F HA -0.243 4.285 4.527 0.000 0.000 0.298 371 F C 2.102 177.759 175.800 -0.237 0.000 1.109 371 F CA 1.675 59.476 58.000 -0.331 0.000 1.212 371 F CB -0.270 38.419 39.000 -0.519 0.000 0.973 371 F HN 0.066 nan 8.300 nan 0.000 0.480 372 L N -1.103 120.075 121.223 -0.076 0.000 2.201 372 L HA -0.140 4.200 4.340 0.000 0.000 0.212 372 L C 2.311 179.178 176.870 -0.004 0.000 1.105 372 L CA 1.020 55.825 54.840 -0.059 0.000 0.775 372 L CB -0.889 41.123 42.059 -0.078 0.000 0.913 372 L HN 0.159 nan 8.230 nan 0.000 0.440 373 A N -1.311 121.500 122.820 -0.015 0.000 2.275 373 A HA -0.049 4.271 4.320 0.000 0.000 0.212 373 A C 0.546 178.128 177.584 -0.003 0.000 1.201 373 A CA -0.232 51.801 52.037 -0.005 0.000 0.843 373 A CB -0.404 18.590 19.000 -0.011 0.000 0.873 373 A HN 0.269 nan 8.150 nan 0.000 0.492 374 D N 1.463 121.860 120.400 -0.004 0.000 2.660 374 D HA -0.037 4.603 4.640 0.000 0.000 0.253 374 D C -1.327 174.990 176.300 0.027 0.000 1.256 374 D CA -0.757 53.251 54.000 0.013 0.000 0.914 374 D CB 0.832 41.675 40.800 0.071 0.000 1.137 374 D HN 0.245 nan 8.370 nan 0.000 0.542 375 P HA 0.030 nan 4.420 nan 0.000 0.255 375 P C 0.211 177.478 177.300 -0.056 0.000 1.248 375 P CA -0.039 63.049 63.100 -0.021 0.000 0.807 375 P CB 0.346 32.029 31.700 -0.028 0.000 1.150 376 E N 0.434 120.577 120.200 -0.095 0.000 2.398 376 E HA 0.131 4.481 4.350 0.000 0.000 0.263 376 E C -0.335 176.099 176.600 -0.276 0.000 1.046 376 E CA 0.439 56.681 56.400 -0.264 0.000 0.908 376 E CB 0.524 29.917 29.700 -0.513 0.000 0.963 376 E HN -0.039 nan 8.360 nan 0.000 0.431 377 T N 3.427 117.805 114.554 -0.293 0.000 2.767 377 T HA 0.295 4.645 4.350 0.000 0.000 0.284 377 T C -0.989 173.545 174.700 -0.278 0.000 0.973 377 T CA -0.335 61.661 62.100 -0.173 0.000 0.996 377 T CB 0.098 68.909 68.868 -0.095 0.000 0.927 377 T HN 0.220 nan 8.240 nan 0.000 0.456 378 Y N 0.928 121.196 120.300 -0.052 0.000 2.352 378 Y HA 0.484 5.034 4.550 0.000 0.000 0.326 378 Y C 1.720 177.591 175.900 -0.048 0.000 1.166 378 Y CA -0.708 57.364 58.100 -0.048 0.000 1.182 378 Y CB 0.556 38.982 38.460 -0.058 0.000 1.216 378 Y HN 0.793 nan 8.280 nan 0.000 0.474 379 E N 1.342 121.601 120.200 0.098 0.000 2.028 379 E HA -0.128 4.222 4.350 0.000 0.000 0.191 379 E C 1.568 178.187 176.600 0.032 0.000 0.988 379 E CA 1.801 58.225 56.400 0.039 0.000 0.799 379 E CB -1.418 28.296 29.700 0.023 0.000 0.755 379 E HN 0.873 nan 8.360 nan 0.000 0.447 380 D N -0.183 120.240 120.400 0.038 0.000 2.084 380 D HA 0.316 4.956 4.640 0.000 0.000 0.231 380 D C 1.468 177.747 176.300 -0.034 0.000 1.023 380 D CA 2.124 56.117 54.000 -0.012 0.000 0.934 380 D CB -0.790 39.987 40.800 -0.039 0.000 1.205 380 D HN 0.803 nan 8.370 nan 0.000 0.485 381 G N -2.329 106.431 108.800 -0.067 0.000 3.166 381 G HA2 0.542 4.502 3.960 0.000 0.000 0.267 381 G HA3 0.542 4.502 3.960 0.000 0.000 0.267 381 G C -0.154 174.689 174.900 -0.094 0.000 1.256 381 G CA -0.223 44.824 45.100 -0.088 0.000 0.859 381 G HN 0.457 nan 8.290 nan 0.000 0.590 382 M N 0.292 119.810 119.600 -0.136 0.000 2.163 382 M HA 0.431 4.912 4.480 0.000 0.000 0.305 382 M C 0.211 176.313 176.300 -0.331 0.000 1.166 382 M CA -0.266 54.931 55.300 -0.172 0.000 1.132 382 M CB 0.735 33.245 32.600 -0.150 0.000 1.413 382 M HN 0.162 nan 8.290 nan 0.000 0.478 383 R N 0.549 120.775 120.500 -0.458 0.000 2.474 383 R HA 0.302 4.642 4.340 0.000 0.000 0.295 383 R C 0.792 176.771 176.300 -0.535 0.000 0.980 383 R CA -0.410 55.340 56.100 -0.583 0.000 0.934 383 R CB 1.053 30.831 30.300 -0.870 0.000 1.101 383 R HN 0.565 nan 8.270 nan 0.000 0.469 384 V N 2.518 122.175 119.914 -0.428 0.000 2.490 384 V HA -0.270 3.850 4.120 0.000 0.000 0.250 384 V C 1.982 177.997 176.094 -0.132 0.000 1.061 384 V CA 2.309 64.402 62.300 -0.346 0.000 1.064 384 V CB -0.942 30.523 31.823 -0.596 0.000 0.670 384 V HN 0.840 nan 8.190 nan 0.000 0.461 385 H N 0.184 119.313 119.070 0.098 0.000 2.421 385 H HA -0.159 4.397 4.556 0.000 0.000 0.298 385 H C 2.090 177.451 175.328 0.054 0.000 1.087 385 H CA 1.552 57.750 56.048 0.250 0.000 1.330 385 H CB -0.567 29.351 29.762 0.261 0.000 1.388 385 H HN 0.461 nan 8.280 nan 0.000 0.526 386 Q N 0.707 120.356 119.800 -0.253 0.000 2.172 386 Q HA -0.030 4.310 4.340 0.000 0.000 0.200 386 Q C 2.404 178.371 176.000 -0.055 0.000 0.964 386 Q CA 1.224 56.955 55.803 -0.121 0.000 0.855 386 Q CB 0.181 28.814 28.738 -0.174 0.000 0.918 386 Q HN 0.408 nan 8.270 nan 0.000 0.444 387 V N 0.787 120.657 119.914 -0.073 0.000 2.379 387 V HA -0.223 3.897 4.120 0.000 0.000 0.245 387 V C 2.050 178.172 176.094 0.047 0.000 1.044 387 V CA 1.471 63.751 62.300 -0.033 0.000 1.036 387 V CB -0.316 31.464 31.823 -0.071 0.000 0.664 387 V HN 0.295 nan 8.190 nan 0.000 0.453 388 I N 0.407 121.046 120.570 0.115 0.000 2.315 388 I HA -0.211 3.959 4.170 0.000 0.000 0.248 388 I C 2.280 178.492 176.117 0.158 0.000 1.117 388 I CA 1.728 63.139 61.300 0.185 0.000 1.404 388 I CB -0.359 37.817 38.000 0.294 0.000 1.071 388 I HN 0.352 nan 8.210 nan 0.000 0.419 389 D N 0.458 120.931 120.400 0.122 0.000 2.116 389 D HA -0.188 4.452 4.640 0.000 0.000 0.193 389 D C 2.226 178.577 176.300 0.084 0.000 0.998 389 D CA 1.844 55.897 54.000 0.089 0.000 0.836 389 D CB 0.103 40.936 40.800 0.055 0.000 0.951 389 D HN 0.190 nan 8.370 nan 0.000 0.449 390 S N -0.580 115.159 115.700 0.066 0.000 2.356 390 S HA -0.160 4.310 4.470 0.000 0.000 0.223 390 S C 2.119 176.780 174.600 0.100 0.000 1.032 390 S CA 1.149 59.384 58.200 0.058 0.000 1.005 390 S CB -0.324 62.888 63.200 0.020 0.000 0.867 390 S HN 0.339 nan 8.310 nan 0.000 0.449 391 M N 1.677 121.353 119.600 0.126 0.000 2.108 391 M HA -0.140 4.340 4.480 0.000 0.000 0.261 391 M C 1.844 178.325 176.300 0.303 0.000 1.066 391 M CA 1.150 56.593 55.300 0.238 0.000 1.107 391 M CB -0.670 32.085 32.600 0.259 0.000 1.356 391 M HN 0.215 nan 8.290 nan 0.000 0.406 392 N N 0.040 118.861 118.700 0.203 0.000 2.069 392 N HA -0.118 4.622 4.740 0.000 0.000 0.191 392 N C 1.694 177.283 175.510 0.131 0.000 1.031 392 N CA 1.910 55.053 53.050 0.155 0.000 0.852 392 N CB -0.879 37.681 38.487 0.123 0.000 1.018 392 N HN 0.318 nan 8.380 nan 0.000 0.423 393 T N 0.923 115.549 114.554 0.120 0.000 2.684 393 T HA -0.068 4.282 4.350 0.000 0.000 0.267 393 T C 2.088 176.858 174.700 0.116 0.000 1.036 393 T CA 1.215 63.372 62.100 0.095 0.000 1.148 393 T CB -0.340 68.572 68.868 0.073 0.000 0.863 393 T HN 0.007 nan 8.240 nan 0.000 0.436 394 V N 1.096 121.117 119.914 0.178 0.000 2.591 394 V HA -0.069 4.051 4.120 0.000 0.000 0.249 394 V C 2.354 178.596 176.094 0.246 0.000 1.053 394 V CA 1.327 63.761 62.300 0.223 0.000 1.068 394 V CB -0.596 31.381 31.823 0.256 0.000 0.689 394 V HN 0.369 nan 8.190 nan 0.000 0.462 395 M N 0.976 120.716 119.600 0.233 0.000 2.086 395 M HA -0.192 4.288 4.480 0.000 0.000 0.261 395 M C 2.065 178.340 176.300 -0.041 0.000 1.067 395 M CA 2.089 57.334 55.300 -0.091 0.000 1.116 395 M CB -0.744 31.748 32.600 -0.179 0.000 1.348 395 M HN 0.406 nan 8.290 nan 0.000 0.407 396 E N -0.411 119.802 120.200 0.021 0.000 2.118 396 E HA -0.250 4.100 4.350 0.000 0.000 0.195 396 E C 1.779 178.391 176.600 0.020 0.000 0.992 396 E CA 1.750 58.161 56.400 0.018 0.000 0.804 396 E CB -0.112 29.608 29.700 0.034 0.000 0.741 396 E HN 0.725 nan 8.360 nan 0.000 0.458 397 E N -0.180 120.043 120.200 0.039 0.000 2.047 397 E HA -0.150 4.200 4.350 0.000 0.000 0.191 397 E C 1.927 178.544 176.600 0.029 0.000 0.987 397 E CA 1.056 57.479 56.400 0.038 0.000 0.799 397 E CB -0.079 29.653 29.700 0.053 0.000 0.752 397 E HN 0.330 nan 8.360 nan 0.000 0.449 398 A N 0.875 123.715 122.820 0.032 0.000 2.072 398 A HA 0.298 4.618 4.320 0.000 0.000 0.216 398 A C 1.175 178.753 177.584 -0.010 0.000 1.156 398 A CA 0.551 52.604 52.037 0.026 0.000 0.701 398 A CB 0.129 19.169 19.000 0.066 0.000 0.816 398 A HN 0.207 nan 8.150 nan 0.000 0.458 399 A N 0.572 123.371 122.820 -0.034 0.000 2.306 399 A HA 0.558 4.878 4.320 0.000 0.000 0.314 399 A C -0.150 177.424 177.584 -0.016 0.000 1.164 399 A CA -0.635 51.379 52.037 -0.040 0.000 0.822 399 A CB 0.349 19.306 19.000 -0.071 0.000 1.130 399 A HN 0.265 nan 8.150 nan 0.000 0.496 400 E N 1.372 121.566 120.200 -0.010 0.000 2.436 400 E HA 0.126 4.476 4.350 0.000 0.000 0.262 400 E C -2.235 174.365 176.600 -0.000 0.000 1.063 400 E CA -1.361 55.038 56.400 -0.002 0.000 0.944 400 E CB -0.380 29.321 29.700 0.001 0.000 0.950 400 E HN 0.343 nan 8.360 nan 0.000 0.444 401 P HA 0.014 nan 4.420 nan 0.000 0.264 401 P C 0.538 177.844 177.300 0.010 0.000 1.183 401 P CA 0.950 64.055 63.100 0.008 0.000 0.763 401 P CB 0.320 32.026 31.700 0.010 0.000 0.807 402 G N 1.262 110.070 108.800 0.013 0.000 2.153 402 G HA2 -0.233 3.727 3.960 0.000 0.000 0.252 402 G HA3 -0.233 3.727 3.960 0.000 0.000 0.252 402 G C -0.069 174.838 174.900 0.013 0.000 0.994 402 G CA -0.041 45.068 45.100 0.015 0.000 0.698 402 G HN 0.577 nan 8.290 nan 0.000 0.521 403 E N -1.291 118.912 120.200 0.005 0.000 2.423 403 E HA 0.665 5.015 4.350 0.000 0.000 0.269 403 E C 0.335 176.923 176.600 -0.020 0.000 0.948 403 E CA -0.495 55.905 56.400 -0.001 0.000 0.802 403 E CB 2.053 31.752 29.700 -0.003 0.000 1.339 403 E HN 1.568 nan 8.360 nan 0.000 0.445 404 G N 0.242 109.023 108.800 -0.031 0.000 2.675 404 G HA2 -0.073 3.887 3.960 0.000 0.000 0.686 404 G HA3 -0.073 3.887 3.960 0.000 0.000 0.686 404 G C -0.870 174.007 174.900 -0.038 0.000 1.215 404 G CA -0.657 44.397 45.100 -0.077 0.000 0.777 404 G HN 0.390 nan 8.290 nan 0.000 0.638 405 T N 1.405 115.923 114.554 -0.060 0.000 2.879 405 T HA 0.623 4.973 4.350 0.000 0.000 0.290 405 T C 0.280 174.987 174.700 0.012 0.000 0.993 405 T CA -0.456 61.648 62.100 0.006 0.000 0.975 405 T CB 1.375 70.254 68.868 0.019 0.000 0.981 405 T HN 0.659 nan 8.240 nan 0.000 0.439 406 I N 3.062 123.695 120.570 0.104 0.000 2.336 406 I HA 0.484 4.654 4.170 0.000 0.000 0.292 406 I C -0.357 175.817 176.117 0.095 0.000 0.991 406 I CA -0.986 60.430 61.300 0.194 0.000 1.227 406 I CB 1.506 39.712 38.000 0.342 0.000 1.366 406 I HN 0.272 nan 8.210 nan 0.000 0.466 407 V N 4.871 124.832 119.914 0.080 0.000 2.513 407 V HA 0.434 4.554 4.120 0.000 0.000 0.299 407 V C -0.058 176.074 176.094 0.064 0.000 1.035 407 V CA -0.473 61.812 62.300 -0.024 0.000 0.889 407 V CB 1.842 33.679 31.823 0.023 0.000 0.988 407 V HN 0.765 nan 8.190 nan 0.000 0.440 408 S N 2.505 118.200 115.700 -0.009 0.000 2.532 408 S HA 0.381 4.851 4.470 0.000 0.000 0.299 408 S C -0.554 174.195 174.600 0.249 0.000 1.105 408 S CA -0.664 57.652 58.200 0.194 0.000 1.018 408 S CB 1.360 64.680 63.200 0.200 0.000 1.021 408 S HN 0.883 nan 8.310 nan 0.000 0.483 409 D N 2.188 122.842 120.400 0.423 0.000 2.376 409 D HA 0.264 4.904 4.640 0.000 0.000 0.268 409 D C -0.069 176.402 176.300 0.284 0.000 1.252 409 D CA -0.150 54.125 54.000 0.458 0.000 1.041 409 D CB 0.502 41.627 40.800 0.541 0.000 1.109 409 D HN 0.440 nan 8.370 nan 0.000 0.552 410 I N -0.458 120.285 120.570 0.288 0.000 2.460 410 I HA 0.606 4.776 4.170 0.000 0.000 0.298 410 I C 1.027 177.214 176.117 0.118 0.000 0.989 410 I CA -0.285 61.050 61.300 0.058 0.000 1.173 410 I CB 0.472 38.553 38.000 0.135 0.000 1.338 410 I HN 0.608 nan 8.210 nan 0.000 0.456 411 G N 3.932 112.649 108.800 -0.139 0.000 2.356 411 G HA2 0.029 3.989 3.960 0.000 0.000 0.288 411 G HA3 0.029 3.989 3.960 0.000 0.000 0.288 411 G C -0.308 174.566 174.900 -0.044 0.000 1.302 411 G CA -0.627 44.521 45.100 0.080 0.000 0.887 411 G HN 0.331 nan 8.290 nan 0.000 0.521 412 F N 0.930 120.863 119.950 -0.028 0.000 2.126 412 F HA 0.033 4.560 4.527 0.000 0.000 0.299 412 F C 2.582 178.375 175.800 -0.012 0.000 1.096 412 F CA 2.448 60.360 58.000 -0.147 0.000 1.255 412 F CB -0.535 38.258 39.000 -0.346 0.000 0.997 412 F HN 0.459 nan 8.300 nan 0.000 0.479 413 F N 0.191 120.151 119.950 0.016 0.000 2.307 413 F HA -0.082 4.445 4.527 0.000 0.000 0.301 413 F C 2.245 178.083 175.800 0.063 0.000 1.076 413 F CA 1.289 59.294 58.000 0.008 0.000 1.383 413 F CB -1.226 37.828 39.000 0.091 0.000 1.055 413 F HN -0.096 nan 8.300 nan 0.000 0.526 414 R N 0.668 120.542 120.500 -1.042 0.000 2.115 414 R HA -0.150 4.190 4.340 0.000 0.000 0.230 414 R C 2.004 177.959 176.300 -0.576 0.000 1.111 414 R CA 1.684 57.287 56.100 -0.829 0.000 0.976 414 R CB -0.916 28.858 30.300 -0.877 0.000 0.870 414 R HN 0.492 nan 8.270 nan 0.000 0.445 415 H N -1.121 117.677 119.070 -0.453 0.000 2.428 415 H HA -0.107 4.450 4.556 0.000 0.000 0.296 415 H C 1.628 176.666 175.328 -0.483 0.000 1.062 415 H CA 1.298 57.051 56.048 -0.492 0.000 1.350 415 H CB -0.129 29.277 29.762 -0.593 0.000 1.403 415 H HN 0.237 nan 8.280 nan 0.000 0.533 416 Y N 0.786 120.897 120.300 -0.316 0.000 2.224 416 Y HA -0.110 4.440 4.550 0.000 0.000 0.289 416 Y C 2.879 178.654 175.900 -0.209 0.000 1.146 416 Y CA 1.122 59.116 58.100 -0.176 0.000 1.182 416 Y CB -0.623 37.927 38.460 0.150 0.000 0.983 416 Y HN 0.194 nan 8.280 nan 0.000 0.524 417 G N -0.679 108.125 108.800 0.007 0.000 2.418 417 G HA2 -0.201 3.759 3.960 0.000 0.000 0.217 417 G HA3 -0.201 3.759 3.960 0.000 0.000 0.217 417 G C 1.798 176.310 174.900 -0.646 0.000 1.158 417 G CA 1.259 46.307 45.100 -0.086 0.000 0.771 417 G HN 0.282 nan 8.290 nan 0.000 0.545 418 V N 0.732 120.282 119.914 -0.606 0.000 2.343 418 V HA -0.097 4.023 4.120 0.000 0.000 0.247 418 V C 2.874 178.595 176.094 -0.622 0.000 1.051 418 V CA 1.421 63.297 62.300 -0.707 0.000 1.036 418 V CB -0.314 31.084 31.823 -0.708 0.000 0.654 418 V HN 0.333 nan 8.190 nan 0.000 0.451 419 L N -1.697 119.092 121.223 -0.724 0.000 2.095 419 L HA -0.017 4.324 4.340 0.000 0.000 0.204 419 L C 1.987 178.448 176.870 -0.682 0.000 1.080 419 L CA 1.412 55.721 54.840 -0.886 0.000 0.759 419 L CB -0.236 40.848 42.059 -1.625 0.000 0.914 419 L HN 0.316 nan 8.230 nan 0.000 0.439 420 F N -0.773 119.084 119.950 -0.155 0.000 2.746 420 F HA 0.371 4.898 4.527 0.000 0.000 0.313 420 F C 1.175 176.930 175.800 -0.075 0.000 1.095 420 F CA -1.003 56.956 58.000 -0.068 0.000 1.224 420 F CB -0.619 38.410 39.000 0.049 0.000 1.060 420 F HN -0.212 nan 8.300 nan 0.000 0.584 421 A N 1.999 124.775 122.820 -0.073 0.000 2.440 421 A HA 0.383 4.703 4.320 0.000 0.000 0.251 421 A C 0.706 178.260 177.584 -0.049 0.000 1.089 421 A CA -0.452 51.550 52.037 -0.059 0.000 0.779 421 A CB 0.107 18.990 19.000 -0.196 0.000 1.022 421 A HN 0.348 nan 8.150 nan 0.000 0.492 422 R N 1.806 122.342 120.500 0.060 0.000 2.491 422 R HA 0.478 4.818 4.340 0.000 0.000 0.283 422 R C -0.519 175.833 176.300 0.086 0.000 1.072 422 R CA 0.511 56.648 56.100 0.063 0.000 1.048 422 R CB 0.468 30.812 30.300 0.073 0.000 0.983 422 R HN 0.854 nan 8.270 nan 0.000 0.450 423 A N 4.058 126.922 122.820 0.073 0.000 2.569 423 A HA 0.184 4.504 4.320 0.000 0.000 0.282 423 A C -0.936 176.687 177.584 0.065 0.000 1.165 423 A CA -0.740 51.357 52.037 0.100 0.000 0.747 423 A CB 1.349 20.429 19.000 0.134 0.000 1.215 423 A HN 0.860 nan 8.150 nan 0.000 0.431 424 D N 1.625 122.057 120.400 0.053 0.000 2.388 424 D HA 0.173 4.813 4.640 0.000 0.000 0.221 424 D C 0.450 176.768 176.300 0.031 0.000 1.133 424 D CA 0.733 54.757 54.000 0.039 0.000 0.831 424 D CB 0.165 40.983 40.800 0.031 0.000 0.962 424 D HN 0.754 nan 8.370 nan 0.000 0.502 425 Q N -1.796 118.022 119.800 0.031 0.000 2.633 425 Q HA 0.479 4.819 4.340 0.000 0.000 0.289 425 Q C -3.053 172.937 176.000 -0.017 0.000 0.940 425 Q CA -2.058 53.750 55.803 0.008 0.000 0.785 425 Q CB 1.184 29.933 28.738 0.018 0.000 1.467 425 Q HN -0.260 nan 8.270 nan 0.000 0.401 426 P HA 0.017 nan 4.420 nan 0.000 0.264 426 P C -0.838 176.346 177.300 -0.192 0.000 1.183 426 P CA 0.487 63.418 63.100 -0.281 0.000 0.763 426 P CB -0.082 31.369 31.700 -0.416 0.000 0.807 427 F N 0.940 120.927 119.950 0.062 0.000 3.084 427 F HA -0.183 4.344 4.527 0.000 0.000 0.286 427 F C 1.618 177.454 175.800 0.059 0.000 0.855 427 F CA 1.153 59.187 58.000 0.056 0.000 1.091 427 F CB -2.619 36.400 39.000 0.031 0.000 1.177 427 F HN 0.486 nan 8.300 nan 0.000 0.542 428 G N -1.391 107.532 108.800 0.204 0.000 2.623 428 G HA2 0.128 4.088 3.960 0.000 0.000 0.214 428 G HA3 0.128 4.088 3.960 0.000 0.000 0.214 428 G C 0.061 175.102 174.900 0.235 0.000 1.138 428 G CA 0.542 45.741 45.100 0.166 0.000 0.794 428 G HN 0.337 nan 8.290 nan 0.000 0.535 429 F N 0.968 120.987 119.950 0.115 0.000 2.507 429 F HA 0.663 5.190 4.527 0.000 0.000 0.328 429 F C -1.035 174.854 175.800 0.148 0.000 1.136 429 F CA -1.553 56.514 58.000 0.111 0.000 0.930 429 F CB 1.371 40.420 39.000 0.081 0.000 1.166 429 F HN -0.246 nan 8.300 nan 0.000 0.436 430 L N 5.861 126.729 121.223 -0.592 0.000 2.346 430 L HA 0.746 5.086 4.340 0.000 0.000 0.276 430 L C -0.154 176.403 176.870 -0.521 0.000 1.006 430 L CA -0.540 54.092 54.840 -0.346 0.000 0.817 430 L CB 2.107 44.100 42.059 -0.110 0.000 1.272 430 L HN 0.737 nan 8.230 nan 0.000 0.421 431 T N 0.213 114.624 114.554 -0.238 0.000 2.718 431 T HA 0.209 4.559 4.350 0.000 0.000 0.306 431 T C -1.443 173.042 174.700 -0.358 0.000 1.485 431 T CA -0.368 61.599 62.100 -0.220 0.000 0.997 431 T CB 2.017 70.742 68.868 -0.239 0.000 1.504 431 T HN 0.429 nan 8.240 nan 0.000 0.497 432 S N 1.102 116.367 115.700 -0.724 0.000 2.434 432 S HA 0.602 5.072 4.470 0.000 0.000 0.318 432 S C 1.020 175.486 174.600 -0.224 0.000 1.062 432 S CA 0.054 57.872 58.200 -0.637 0.000 1.116 432 S CB 0.108 62.720 63.200 -0.980 0.000 0.977 432 S HN 0.800 nan 8.310 nan 0.000 0.480 433 A N 4.418 127.175 122.820 -0.105 0.000 1.975 433 A HA 0.279 4.599 4.320 0.000 0.000 0.215 433 A C 1.907 179.404 177.584 -0.145 0.000 1.170 433 A CA 1.117 53.102 52.037 -0.087 0.000 0.656 433 A CB -0.868 18.030 19.000 -0.169 0.000 0.821 433 A HN 0.822 nan 8.150 nan 0.000 0.449 434 G N -1.392 107.330 108.800 -0.129 0.000 2.439 434 G HA2 -0.141 3.819 3.960 0.000 0.000 0.212 434 G HA3 -0.141 3.819 3.960 0.000 0.000 0.212 434 G C 1.715 176.561 174.900 -0.089 0.000 1.199 434 G CA 1.186 46.217 45.100 -0.115 0.000 0.807 434 G HN 0.527 nan 8.290 nan 0.000 0.537 435 C N 0.003 119.260 119.300 -0.071 0.000 2.524 435 C HA 0.364 4.824 4.460 0.000 0.000 0.284 435 C C 1.788 176.754 174.990 -0.038 0.000 1.346 435 C CA 1.165 60.161 59.018 -0.036 0.000 1.739 435 C CB -0.590 27.158 27.740 0.015 0.000 2.119 435 C HN 0.505 nan 8.230 nan 0.000 0.501 436 S N 1.388 117.044 115.700 -0.073 0.000 3.614 436 S HA -0.172 4.298 4.470 0.000 0.000 0.360 436 S C 0.158 174.765 174.600 0.012 0.000 1.023 436 S CA 0.713 58.878 58.200 -0.058 0.000 1.114 436 S CB -1.879 61.304 63.200 -0.027 0.000 0.907 436 S HN 0.887 nan 8.310 nan 0.000 0.470 437 S N 2.114 117.867 115.700 0.089 0.000 2.531 437 S HA 0.480 4.950 4.470 0.000 0.000 0.279 437 S C 0.646 175.445 174.600 0.332 0.000 1.305 437 S CA -0.763 57.534 58.200 0.163 0.000 1.058 437 S CB -0.063 63.274 63.200 0.227 0.000 0.899 437 S HN 0.514 nan 8.310 nan 0.000 0.493 438 F N 3.498 123.489 119.950 0.069 0.000 2.545 438 F HA 0.516 5.043 4.527 0.000 0.000 0.348 438 F C 1.294 177.163 175.800 0.114 0.000 1.163 438 F CA -0.924 57.150 58.000 0.124 0.000 1.331 438 F CB -1.194 37.880 39.000 0.124 0.000 1.138 438 F HN 0.845 nan 8.300 nan 0.000 0.602 439 G N 1.936 110.893 108.800 0.261 0.000 2.176 439 G HA2 -0.398 3.562 3.960 0.000 0.000 0.253 439 G HA3 -0.398 3.562 3.960 0.000 0.000 0.253 439 G C 0.677 175.858 174.900 0.468 0.000 0.979 439 G CA 0.380 45.599 45.100 0.198 0.000 0.641 439 G HN 1.045 nan 8.290 nan 0.000 0.530 440 Y N 1.679 122.204 120.300 0.376 0.000 2.333 440 Y HA 0.120 4.670 4.550 0.000 0.000 0.290 440 Y C 2.481 178.436 175.900 0.092 0.000 1.144 440 Y CA 2.370 60.615 58.100 0.242 0.000 1.228 440 Y CB -0.428 38.154 38.460 0.204 0.000 0.985 440 Y HN 0.248 nan 8.280 nan 0.000 0.542 441 G N 0.959 109.896 108.800 0.228 0.000 2.545 441 G HA2 -0.317 3.643 3.960 0.000 0.000 0.217 441 G HA3 -0.317 3.643 3.960 0.000 0.000 0.217 441 G C 1.738 176.634 174.900 -0.006 0.000 1.218 441 G CA 1.578 46.760 45.100 0.138 0.000 0.787 441 G HN 0.487 nan 8.290 nan 0.000 0.571 442 I N 1.997 122.573 120.570 0.009 0.000 2.127 442 I HA -0.139 4.031 4.170 0.000 0.000 0.241 442 I C 0.118 176.158 176.117 -0.129 0.000 1.075 442 I CA 1.463 62.747 61.300 -0.028 0.000 1.334 442 I CB -0.776 37.190 38.000 -0.058 0.000 1.040 442 I HN 0.215 nan 8.210 nan 0.000 0.405 443 P HA -0.172 nan 4.420 nan 0.000 0.216 443 P C 1.327 178.375 177.300 -0.420 0.000 1.150 443 P CA 2.027 64.918 63.100 -0.349 0.000 0.837 443 P CB -0.084 31.319 31.700 -0.495 0.000 0.786 444 A N 0.239 122.736 122.820 -0.539 0.000 1.969 444 A HA 0.016 4.336 4.320 0.000 0.000 0.218 444 A C 2.433 179.856 177.584 -0.267 0.000 1.169 444 A CA 1.879 53.589 52.037 -0.545 0.000 0.635 444 A CB -1.409 17.094 19.000 -0.828 0.000 0.810 444 A HN 0.225 nan 8.150 nan 0.000 0.445 445 A N -0.051 122.668 122.820 -0.169 0.000 1.929 445 A HA 0.002 4.322 4.320 0.000 0.000 0.216 445 A C 2.082 179.632 177.584 -0.058 0.000 1.176 445 A CA 1.296 53.295 52.037 -0.063 0.000 0.628 445 A CB -0.527 18.477 19.000 0.007 0.000 0.816 445 A HN 0.468 nan 8.150 nan 0.000 0.444 446 I N -0.200 120.318 120.570 -0.087 0.000 2.127 446 I HA -0.239 3.931 4.170 0.000 0.000 0.241 446 I C 2.743 178.817 176.117 -0.072 0.000 1.075 446 I CA 1.340 62.605 61.300 -0.058 0.000 1.334 446 I CB -0.649 37.308 38.000 -0.072 0.000 1.040 446 I HN 0.395 nan 8.210 nan 0.000 0.405 447 G N 0.201 108.894 108.800 -0.178 0.000 2.442 447 G HA2 -0.248 3.712 3.960 0.000 0.000 0.219 447 G HA3 -0.248 3.712 3.960 0.000 0.000 0.219 447 G C 1.809 176.651 174.900 -0.097 0.000 1.141 447 G CA 0.883 45.872 45.100 -0.185 0.000 0.763 447 G HN 0.514 nan 8.290 nan 0.000 0.554 448 A N -0.025 122.739 122.820 -0.093 0.000 1.897 448 A HA -0.001 4.319 4.320 0.000 0.000 0.215 448 A C 2.302 179.880 177.584 -0.010 0.000 1.181 448 A CA 2.117 54.126 52.037 -0.047 0.000 0.620 448 A CB -0.386 18.590 19.000 -0.041 0.000 0.821 448 A HN 0.392 nan 8.150 nan 0.000 0.443 449 Q N -0.349 119.451 119.800 -0.001 0.000 2.119 449 Q HA -0.030 4.310 4.340 0.000 0.000 0.201 449 Q C 1.936 177.951 176.000 0.025 0.000 0.972 449 Q CA 1.929 57.744 55.803 0.020 0.000 0.847 449 Q CB -0.429 28.329 28.738 0.033 0.000 0.903 449 Q HN 0.689 nan 8.270 nan 0.000 0.433 450 M N -1.061 118.557 119.600 0.030 0.000 2.296 450 M HA -0.036 4.444 4.480 0.000 0.000 0.265 450 M C 1.948 178.270 176.300 0.037 0.000 1.064 450 M CA 1.285 56.612 55.300 0.046 0.000 1.109 450 M CB -0.114 32.542 32.600 0.093 0.000 1.396 450 M HN 0.293 nan 8.290 nan 0.000 0.430 451 A N 0.363 123.199 122.820 0.026 0.000 2.021 451 A HA 0.043 4.363 4.320 0.000 0.000 0.216 451 A C 1.179 178.779 177.584 0.027 0.000 1.163 451 A CA 0.764 52.815 52.037 0.024 0.000 0.676 451 A CB 0.008 19.014 19.000 0.009 0.000 0.818 451 A HN 0.409 nan 8.150 nan 0.000 0.453 452 R N -0.460 120.054 120.500 0.024 0.000 2.681 452 R HA 0.208 4.548 4.340 0.000 0.000 0.277 452 R C -2.275 174.038 176.300 0.021 0.000 1.563 452 R CA -1.478 54.637 56.100 0.024 0.000 1.673 452 R CB 1.060 31.375 30.300 0.024 0.000 1.258 452 R HN 0.216 nan 8.270 nan 0.000 0.650 453 P HA -0.142 nan 4.420 nan 0.000 0.220 453 P C -0.007 177.306 177.300 0.021 0.000 1.148 453 P CA 1.231 64.345 63.100 0.022 0.000 0.803 453 P CB 0.376 32.088 31.700 0.020 0.000 0.782 454 D N -1.108 119.302 120.400 0.017 0.000 2.363 454 D HA 0.071 4.711 4.640 0.000 0.000 0.214 454 D C 0.650 176.957 176.300 0.010 0.000 1.093 454 D CA 0.268 54.277 54.000 0.015 0.000 0.837 454 D CB 0.432 41.240 40.800 0.013 0.000 0.948 454 D HN 0.368 nan 8.370 nan 0.000 0.507 455 Q N 1.499 121.303 119.800 0.008 0.000 2.266 455 Q HA 0.347 4.688 4.340 0.000 0.000 0.261 455 Q C -2.453 173.538 176.000 -0.015 0.000 0.985 455 Q CA -1.978 53.820 55.803 -0.008 0.000 0.873 455 Q CB 1.969 30.702 28.738 -0.008 0.000 1.306 455 Q HN -0.052 nan 8.270 nan 0.000 0.447 456 P HA 0.047 nan 4.420 nan 0.000 0.271 456 P C -0.921 176.307 177.300 -0.121 0.000 1.216 456 P CA -0.105 62.949 63.100 -0.076 0.000 0.776 456 P CB 0.733 32.323 31.700 -0.184 0.000 0.881 457 T N 3.635 118.193 114.554 0.007 0.000 2.906 457 T HA 0.487 4.837 4.350 0.000 0.000 0.302 457 T C -0.690 174.200 174.700 0.317 0.000 1.002 457 T CA -0.126 62.015 62.100 0.069 0.000 0.988 457 T CB 0.092 69.008 68.868 0.081 0.000 0.972 457 T HN 0.083 nan 8.240 nan 0.000 0.447 458 F N 2.607 122.595 119.950 0.063 0.000 2.492 458 F HA 0.751 5.278 4.527 0.000 0.000 0.327 458 F C -0.134 175.705 175.800 0.066 0.000 1.079 458 F CA -2.153 55.887 58.000 0.067 0.000 0.967 458 F CB 1.537 40.585 39.000 0.080 0.000 1.169 458 F HN 0.309 nan 8.300 nan 0.000 0.472 459 L N 4.499 125.861 121.223 0.233 0.000 2.365 459 L HA 0.682 5.023 4.340 0.000 0.000 0.273 459 L C -1.317 175.613 176.870 0.100 0.000 1.000 459 L CA -0.549 54.383 54.840 0.154 0.000 0.819 459 L CB 1.641 43.772 42.059 0.120 0.000 1.284 459 L HN 0.585 nan 8.230 nan 0.000 0.418 460 I N 4.598 125.255 120.570 0.144 0.000 2.433 460 I HA 0.871 5.041 4.170 0.000 0.000 0.292 460 I C -0.923 175.241 176.117 0.078 0.000 1.001 460 I CA -0.226 61.112 61.300 0.064 0.000 1.119 460 I CB 1.490 39.587 38.000 0.162 0.000 1.289 460 I HN 0.884 nan 8.210 nan 0.000 0.438 461 A N 4.836 127.497 122.820 -0.264 0.000 2.556 461 A HA 0.844 5.164 4.320 0.000 0.000 0.294 461 A C -0.484 176.572 177.584 -0.879 0.000 1.091 461 A CA -0.389 51.446 52.037 -0.336 0.000 0.704 461 A CB 1.376 20.400 19.000 0.041 0.000 1.300 461 A HN 0.820 nan 8.150 nan 0.000 0.406 462 G N -0.408 107.902 108.800 -0.816 0.000 2.502 462 G HA2 0.440 4.400 3.960 0.000 0.000 0.305 462 G HA3 0.440 4.400 3.960 0.000 0.000 0.305 462 G C 0.408 175.207 174.900 -0.168 0.000 1.190 462 G CA 0.316 45.136 45.100 -0.468 0.000 0.933 462 G HN 0.796 nan 8.290 nan 0.000 0.503 463 D N -0.165 120.174 120.400 -0.102 0.000 2.144 463 D HA -0.098 4.542 4.640 0.000 0.000 0.200 463 D C 2.164 178.536 176.300 0.120 0.000 0.978 463 D CA 1.271 55.231 54.000 -0.067 0.000 0.833 463 D CB -0.739 40.126 40.800 0.110 0.000 0.961 463 D HN 0.473 nan 8.370 nan 0.000 0.470 464 G N 1.070 110.025 108.800 0.258 0.000 2.480 464 G HA2 -0.207 3.753 3.960 0.000 0.000 0.216 464 G HA3 -0.207 3.753 3.960 0.000 0.000 0.216 464 G C 1.783 176.784 174.900 0.168 0.000 1.200 464 G CA 1.386 46.680 45.100 0.324 0.000 0.782 464 G HN 0.472 nan 8.290 nan 0.000 0.554 465 G N 0.112 109.073 108.800 0.269 0.000 2.404 465 G HA2 -0.151 3.809 3.960 0.000 0.000 0.215 465 G HA3 -0.151 3.809 3.960 0.000 0.000 0.215 465 G C 1.668 176.554 174.900 -0.024 0.000 1.174 465 G CA 0.893 46.068 45.100 0.126 0.000 0.780 465 G HN 0.333 nan 8.290 nan 0.000 0.537 466 F N 0.929 120.844 119.950 -0.059 0.000 2.095 466 F HA -0.111 4.416 4.527 0.000 0.000 0.298 466 F C 2.467 178.263 175.800 -0.006 0.000 1.104 466 F CA 2.003 59.953 58.000 -0.084 0.000 1.232 466 F CB -0.245 38.609 39.000 -0.244 0.000 0.987 466 F HN 0.243 nan 8.300 nan 0.000 0.475 467 H N -0.194 118.862 119.070 -0.024 0.000 2.495 467 H HA -0.038 4.518 4.556 0.000 0.000 0.287 467 H C 2.493 177.642 175.328 -0.298 0.000 1.033 467 H CA 1.100 57.099 56.048 -0.083 0.000 1.307 467 H CB -0.488 29.284 29.762 0.018 0.000 1.401 467 H HN 0.356 nan 8.280 nan 0.000 0.555 468 S N -0.929 114.511 115.700 -0.433 0.000 2.440 468 S HA -0.146 4.324 4.470 0.000 0.000 0.238 468 S C 1.392 175.676 174.600 -0.528 0.000 1.010 468 S CA 1.510 59.307 58.200 -0.672 0.000 0.972 468 S CB -0.033 62.277 63.200 -1.483 0.000 0.774 468 S HN 0.407 nan 8.310 nan 0.000 0.501 469 N N 0.024 118.462 118.700 -0.436 0.000 2.475 469 N HA 0.214 4.955 4.740 0.000 0.000 0.272 469 N C 0.699 175.981 175.510 -0.379 0.000 1.482 469 N CA 0.549 53.402 53.050 -0.328 0.000 0.863 469 N CB 0.636 39.031 38.487 -0.152 0.000 1.400 469 N HN 0.369 nan 8.380 nan 0.000 0.489 470 S N -2.143 113.293 115.700 -0.441 0.000 2.489 470 S HA 0.024 4.494 4.470 0.000 0.000 0.228 470 S C 1.604 176.062 174.600 -0.236 0.000 0.995 470 S CA 0.465 58.354 58.200 -0.517 0.000 0.934 470 S CB -0.026 63.035 63.200 -0.231 0.000 0.771 470 S HN 0.122 nan 8.310 nan 0.000 0.522 471 S N 2.151 117.750 115.700 -0.169 0.000 2.447 471 S HA -0.041 4.429 4.470 0.000 0.000 0.233 471 S C 1.200 175.772 174.600 -0.047 0.000 1.006 471 S CA 0.849 59.002 58.200 -0.078 0.000 0.957 471 S CB -0.371 62.789 63.200 -0.066 0.000 0.773 471 S HN 0.549 nan 8.310 nan 0.000 0.507 472 D N 1.242 121.600 120.400 -0.069 0.000 2.378 472 D HA 0.075 4.715 4.640 0.000 0.000 0.227 472 D C 1.499 177.788 176.300 -0.019 0.000 1.012 472 D CA 0.133 54.114 54.000 -0.032 0.000 0.905 472 D CB -0.044 40.736 40.800 -0.032 0.000 0.895 472 D HN 0.354 nan 8.370 nan 0.000 0.532 473 L N 0.813 122.025 121.223 -0.018 0.000 2.081 473 L HA -0.198 4.142 4.340 0.000 0.000 0.212 473 L C 2.557 179.453 176.870 0.043 0.000 1.080 473 L CA 1.173 56.040 54.840 0.045 0.000 0.754 473 L CB -0.270 41.844 42.059 0.092 0.000 0.893 473 L HN 0.009 nan 8.230 nan 0.000 0.433 474 E N -0.214 120.004 120.200 0.030 0.000 2.110 474 E HA -0.202 4.148 4.350 0.000 0.000 0.193 474 E C 1.976 178.595 176.600 0.033 0.000 0.988 474 E CA 1.883 58.302 56.400 0.032 0.000 0.804 474 E CB 0.027 29.744 29.700 0.028 0.000 0.745 474 E HN 0.465 nan 8.360 nan 0.000 0.458 475 T N 1.406 115.978 114.554 0.030 0.000 2.777 475 T HA -0.074 4.276 4.350 0.000 0.000 0.266 475 T C 2.068 176.789 174.700 0.035 0.000 1.040 475 T CA 1.142 63.261 62.100 0.032 0.000 1.141 475 T CB -0.159 68.727 68.868 0.030 0.000 0.868 475 T HN 0.180 nan 8.240 nan 0.000 0.444 476 I N 1.252 121.844 120.570 0.037 0.000 2.264 476 I HA -0.207 3.963 4.170 0.000 0.000 0.248 476 I C 2.831 178.977 176.117 0.049 0.000 1.111 476 I CA 1.160 62.488 61.300 0.046 0.000 1.382 476 I CB -0.374 37.661 38.000 0.058 0.000 1.060 476 I HN 0.214 nan 8.210 nan 0.000 0.418 477 A N 0.490 123.338 122.820 0.048 0.000 1.929 477 A HA -0.192 4.128 4.320 0.000 0.000 0.216 477 A C 2.387 179.995 177.584 0.039 0.000 1.176 477 A CA 1.353 53.418 52.037 0.047 0.000 0.628 477 A CB -0.494 18.534 19.000 0.046 0.000 0.816 477 A HN 0.340 nan 8.150 nan 0.000 0.444 478 R N -0.240 120.281 120.500 0.034 0.000 2.092 478 R HA 0.040 4.380 4.340 0.000 0.000 0.231 478 R C 1.431 177.746 176.300 0.025 0.000 1.119 478 R CA 1.319 57.437 56.100 0.029 0.000 0.970 478 R CB -0.310 30.007 30.300 0.029 0.000 0.864 478 R HN 0.483 nan 8.270 nan 0.000 0.440 479 L N 0.549 121.789 121.223 0.027 0.000 2.558 479 L HA 0.078 4.418 4.340 0.000 0.000 0.225 479 L C 0.352 177.238 176.870 0.027 0.000 1.128 479 L CA -0.049 54.804 54.840 0.023 0.000 0.868 479 L CB -0.337 41.737 42.059 0.025 0.000 1.006 479 L HN 0.317 nan 8.230 nan 0.000 0.454 480 N N 1.241 119.961 118.700 0.034 0.000 2.714 480 N HA -0.212 4.528 4.740 0.000 0.000 0.252 480 N C -0.601 174.934 175.510 0.042 0.000 1.014 480 N CA 0.469 53.542 53.050 0.039 0.000 0.735 480 N CB -1.199 37.307 38.487 0.032 0.000 0.924 480 N HN 0.267 nan 8.380 nan 0.000 0.540 481 L N 0.789 122.041 121.223 0.048 0.000 2.278 481 L HA 0.339 4.679 4.340 0.000 0.000 0.287 481 L C -1.299 175.612 176.870 0.068 0.000 1.072 481 L CA -1.663 53.208 54.840 0.052 0.000 0.819 481 L CB 0.976 43.065 42.059 0.050 0.000 1.176 481 L HN 0.080 nan 8.230 nan 0.000 0.435 482 P HA 0.085 nan 4.420 nan 0.000 0.249 482 P C 0.013 177.386 177.300 0.122 0.000 1.686 482 P CA 0.079 63.233 63.100 0.089 0.000 0.873 482 P CB -0.353 31.391 31.700 0.073 0.000 1.828 483 I N 0.232 120.875 120.570 0.121 0.000 2.496 483 I HA 0.048 4.218 4.170 0.000 0.000 0.285 483 I C 0.649 176.863 176.117 0.161 0.000 1.080 483 I CA -0.369 61.020 61.300 0.148 0.000 1.404 483 I CB 1.068 39.136 38.000 0.113 0.000 1.403 483 I HN -0.154 nan 8.210 nan 0.000 0.539 484 V N 5.961 125.994 119.914 0.198 0.000 2.350 484 V HA 0.280 4.400 4.120 0.000 0.000 0.276 484 V C 0.214 176.310 176.094 0.004 0.000 1.028 484 V CA -0.326 62.022 62.300 0.080 0.000 0.860 484 V CB 1.252 33.002 31.823 -0.122 0.000 0.990 484 V HN 0.735 nan 8.190 nan 0.000 0.453 485 T N 4.638 119.164 114.554 -0.046 0.000 2.823 485 T HA 0.597 4.947 4.350 0.000 0.000 0.279 485 T C -0.420 174.143 174.700 -0.229 0.000 0.998 485 T CA -0.374 61.661 62.100 -0.108 0.000 0.994 485 T CB 1.783 70.587 68.868 -0.108 0.000 0.960 485 T HN 0.324 nan 8.240 nan 0.000 0.448 486 V N 3.822 123.587 119.914 -0.247 0.000 2.407 486 V HA 0.369 4.489 4.120 0.000 0.000 0.291 486 V C -0.299 175.543 176.094 -0.421 0.000 1.018 486 V CA -0.758 61.364 62.300 -0.297 0.000 0.842 486 V CB 1.768 33.468 31.823 -0.205 0.000 0.996 486 V HN 0.715 nan 8.190 nan 0.000 0.426 487 V N 6.201 125.781 119.914 -0.556 0.000 2.318 487 V HA 0.259 4.379 4.120 0.000 0.000 0.271 487 V C 0.173 175.947 176.094 -0.534 0.000 1.030 487 V CA -0.621 61.245 62.300 -0.724 0.000 0.844 487 V CB 1.633 32.785 31.823 -1.118 0.000 1.015 487 V HN 0.724 nan 8.190 nan 0.000 0.460 488 V N 2.508 122.126 119.914 -0.493 0.000 2.405 488 V HA 0.503 4.623 4.120 0.000 0.000 0.264 488 V C 0.061 175.969 176.094 -0.310 0.000 1.048 488 V CA -0.296 61.785 62.300 -0.365 0.000 0.966 488 V CB 0.866 32.497 31.823 -0.320 0.000 1.015 488 V HN 0.749 nan 8.190 nan 0.000 0.477 489 N N 4.839 123.401 118.700 -0.230 0.000 2.446 489 N HA 0.394 5.134 4.740 0.000 0.000 0.265 489 N C 0.107 175.566 175.510 -0.085 0.000 0.975 489 N CA -0.498 52.483 53.050 -0.114 0.000 0.928 489 N CB 1.519 39.990 38.487 -0.028 0.000 1.160 489 N HN 0.889 nan 8.380 nan 0.000 0.495 490 N N 2.074 120.758 118.700 -0.027 0.000 2.299 490 N HA 0.096 4.836 4.740 0.000 0.000 0.246 490 N C -0.994 174.558 175.510 0.070 0.000 1.254 490 N CA -0.228 52.795 53.050 -0.045 0.000 0.879 490 N CB 0.020 38.401 38.487 -0.177 0.000 1.214 490 N HN 0.352 nan 8.380 nan 0.000 0.510 491 D N -0.106 120.391 120.400 0.163 0.000 2.751 491 D HA -0.139 4.501 4.640 0.000 0.000 0.233 491 D C -0.952 175.529 176.300 0.302 0.000 1.149 491 D CA 1.307 55.464 54.000 0.262 0.000 0.682 491 D CB -1.695 39.192 40.800 0.146 0.000 1.068 491 D HN 0.480 nan 8.370 nan 0.000 0.429 492 T N -0.149 114.616 114.554 0.352 0.000 2.942 492 T HA 0.231 4.581 4.350 0.000 0.000 0.327 492 T C -0.100 174.797 174.700 0.327 0.000 1.360 492 T CA -0.871 61.328 62.100 0.167 0.000 1.055 492 T CB 1.365 70.315 68.868 0.135 0.000 1.261 492 T HN -0.172 nan 8.240 nan 0.000 0.485 493 N N 1.915 120.712 118.700 0.162 0.000 2.605 493 N HA 0.171 4.911 4.740 0.000 0.000 0.282 493 N C 1.470 177.132 175.510 0.252 0.000 1.206 493 N CA 0.013 53.237 53.050 0.290 0.000 1.074 493 N CB 0.606 39.217 38.487 0.207 0.000 1.434 493 N HN 0.887 nan 8.380 nan 0.000 0.506 494 G N 1.525 110.541 108.800 0.359 0.000 2.418 494 G HA2 -0.201 3.759 3.960 0.000 0.000 0.217 494 G HA3 -0.201 3.759 3.960 0.000 0.000 0.217 494 G C 1.444 176.477 174.900 0.222 0.000 1.158 494 G CA 0.093 45.425 45.100 0.387 0.000 0.771 494 G HN 0.490 nan 8.290 nan 0.000 0.545 495 L N 0.381 121.718 121.223 0.190 0.000 2.079 495 L HA -0.110 4.230 4.340 0.000 0.000 0.210 495 L C 2.678 179.622 176.870 0.124 0.000 1.081 495 L CA 1.146 56.032 54.840 0.077 0.000 0.752 495 L CB -0.236 41.950 42.059 0.213 0.000 0.896 495 L HN 0.138 nan 8.230 nan 0.000 0.433 496 I N -0.260 120.420 120.570 0.184 0.000 2.353 496 I HA -0.257 3.913 4.170 0.000 0.000 0.248 496 I C 2.414 178.592 176.117 0.101 0.000 1.119 496 I CA 1.142 62.547 61.300 0.175 0.000 1.417 496 I CB -1.319 36.747 38.000 0.110 0.000 1.078 496 I HN 0.371 nan 8.210 nan 0.000 0.421 497 E N 1.196 121.446 120.200 0.083 0.000 2.110 497 E HA -0.214 4.136 4.350 0.000 0.000 0.193 497 E C 2.419 178.992 176.600 -0.044 0.000 0.988 497 E CA 0.844 57.292 56.400 0.081 0.000 0.804 497 E CB 0.020 29.837 29.700 0.196 0.000 0.745 497 E HN 0.383 nan 8.360 nan 0.000 0.458 498 L N 0.076 121.121 121.223 -0.297 0.000 2.012 498 L HA -0.221 4.119 4.340 0.000 0.000 0.210 498 L C 2.056 178.643 176.870 -0.471 0.000 1.073 498 L CA 1.655 56.013 54.840 -0.804 0.000 0.748 498 L CB -0.396 40.956 42.059 -1.179 0.000 0.891 498 L HN 0.312 nan 8.230 nan 0.000 0.431 499 Y N 0.460 120.637 120.300 -0.206 0.000 2.274 499 Y HA -0.264 4.286 4.550 0.000 0.000 0.290 499 Y C 2.825 178.665 175.900 -0.100 0.000 1.145 499 Y CA 1.380 59.406 58.100 -0.125 0.000 1.203 499 Y CB -0.356 38.063 38.460 -0.069 0.000 0.984 499 Y HN 0.333 nan 8.280 nan 0.000 0.533 500 Q N -0.262 119.558 119.800 0.034 0.000 2.050 500 Q HA -0.196 4.144 4.340 0.000 0.000 0.202 500 Q C 1.951 177.940 176.000 -0.020 0.000 0.980 500 Q CA 1.359 57.139 55.803 -0.038 0.000 0.840 500 Q CB -0.226 28.477 28.738 -0.059 0.000 0.898 500 Q HN 0.535 nan 8.270 nan 0.000 0.424 501 N N 0.512 119.178 118.700 -0.055 0.000 2.188 501 N HA -0.093 4.647 4.740 0.000 0.000 0.184 501 N C 1.850 177.256 175.510 -0.174 0.000 1.018 501 N CA 0.937 53.948 53.050 -0.065 0.000 0.858 501 N CB -0.016 38.446 38.487 -0.042 0.000 0.989 501 N HN 0.243 nan 8.380 nan 0.000 0.426 502 I N 0.604 121.061 120.570 -0.188 0.000 2.286 502 I HA -0.157 4.013 4.170 0.000 0.000 0.248 502 I C 2.371 178.339 176.117 -0.248 0.000 1.115 502 I CA 1.231 62.403 61.300 -0.213 0.000 1.392 502 I CB -0.274 37.620 38.000 -0.177 0.000 1.065 502 I HN 0.135 nan 8.210 nan 0.000 0.418 503 G N -1.190 107.558 108.800 -0.086 0.000 2.492 503 G HA2 -0.112 3.848 3.960 0.000 0.000 0.214 503 G HA3 -0.112 3.848 3.960 0.000 0.000 0.214 503 G C 1.062 175.870 174.900 -0.153 0.000 1.147 503 G CA 0.316 45.395 45.100 -0.036 0.000 0.809 503 G HN 0.402 nan 8.290 nan 0.000 0.533 504 H N -1.570 117.373 119.070 -0.212 0.000 3.170 504 H HA 0.254 4.810 4.556 0.000 0.000 0.264 504 H C 0.522 175.836 175.328 -0.023 0.000 1.113 504 H CA -0.478 55.515 56.048 -0.092 0.000 1.194 504 H CB 0.258 30.003 29.762 -0.029 0.000 1.553 504 H HN 0.332 nan 8.280 nan 0.000 0.538 505 H N 0.226 119.371 119.070 0.125 0.000 2.899 505 H HA -0.159 4.397 4.556 0.000 0.000 0.282 505 H C 0.028 175.405 175.328 0.082 0.000 1.198 505 H CA 1.264 57.357 56.048 0.076 0.000 1.140 505 H CB -1.271 28.521 29.762 0.048 0.000 1.317 505 H HN 0.588 nan 8.280 nan 0.000 0.375 506 R N -1.731 118.857 120.500 0.146 0.000 2.728 506 R HA 0.636 4.976 4.340 0.000 0.000 0.274 506 R C -1.174 175.171 176.300 0.076 0.000 1.030 506 R CA -0.770 55.399 56.100 0.115 0.000 0.876 506 R CB 1.044 31.413 30.300 0.115 0.000 1.259 506 R HN -0.035 nan 8.270 nan 0.000 0.468 507 S N -0.098 115.650 115.700 0.080 0.000 2.646 507 S HA 0.327 4.797 4.470 0.000 0.000 0.276 507 S C -1.010 173.651 174.600 0.102 0.000 1.222 507 S CA -0.456 57.785 58.200 0.069 0.000 1.014 507 S CB 0.672 63.913 63.200 0.068 0.000 0.991 507 S HN 0.609 nan 8.310 nan 0.000 0.533 508 H N 0.758 119.804 119.070 -0.041 0.000 2.991 508 H HA 0.345 4.901 4.556 0.000 0.000 0.304 508 H C -0.171 175.132 175.328 -0.041 0.000 1.040 508 H CA -0.650 55.373 56.048 -0.042 0.000 1.410 508 H CB 0.272 29.995 29.762 -0.066 0.000 1.529 508 H HN 0.448 nan 8.280 nan 0.000 0.509 509 D N 4.700 124.921 120.400 -0.299 0.000 2.149 509 D HA -0.109 4.531 4.640 0.000 0.000 0.198 509 D C -0.802 175.315 176.300 -0.305 0.000 0.990 509 D CA 0.846 54.699 54.000 -0.244 0.000 0.839 509 D CB -0.853 39.848 40.800 -0.165 0.000 0.948 509 D HN 0.541 nan 8.370 nan 0.000 0.460 510 P HA -0.058 nan 4.420 nan 0.000 0.223 510 P C 0.668 177.869 177.300 -0.166 0.000 1.144 510 P CA 1.333 64.266 63.100 -0.279 0.000 0.783 510 P CB 0.051 31.578 31.700 -0.289 0.000 0.771 511 A N -1.355 121.374 122.820 -0.152 0.000 2.308 511 A HA 0.189 4.509 4.320 0.000 0.000 0.217 511 A C 1.539 179.065 177.584 -0.097 0.000 1.216 511 A CA 0.799 52.802 52.037 -0.057 0.000 0.864 511 A CB -0.328 18.688 19.000 0.027 0.000 0.902 511 A HN 0.184 nan 8.150 nan 0.000 0.499 512 V N -5.876 113.935 119.914 -0.172 0.000 3.359 512 V HA 0.365 4.486 4.120 0.000 0.000 0.270 512 V C -0.173 175.656 176.094 -0.442 0.000 1.583 512 V CA -0.318 61.846 62.300 -0.227 0.000 1.019 512 V CB -0.083 31.687 31.823 -0.089 0.000 0.831 512 V HN 0.043 nan 8.190 nan 0.000 0.426 513 K N 1.580 121.746 120.400 -0.391 0.000 2.156 513 K HA 0.660 4.980 4.320 0.000 0.000 0.271 513 K C -1.267 175.090 176.600 -0.405 0.000 0.995 513 K CA -0.311 55.767 56.287 -0.350 0.000 0.890 513 K CB 1.742 34.150 32.500 -0.155 0.000 1.073 513 K HN 0.291 nan 8.250 nan 0.000 0.454 514 F N -0.481 119.501 119.950 0.054 0.000 2.541 514 F HA 0.482 5.009 4.527 0.000 0.000 0.331 514 F C 1.407 177.222 175.800 0.025 0.000 1.057 514 F CA -0.766 57.265 58.000 0.051 0.000 0.975 514 F CB 0.841 39.889 39.000 0.080 0.000 1.246 514 F HN 0.561 nan 8.300 nan 0.000 0.484 515 G N -0.402 108.532 108.800 0.224 0.000 2.535 515 G HA2 0.453 4.413 3.960 0.000 0.000 0.282 515 G HA3 0.453 4.413 3.960 0.000 0.000 0.282 515 G C -0.084 174.862 174.900 0.077 0.000 1.350 515 G CA -0.533 44.631 45.100 0.108 0.000 1.039 515 G HN 0.896 nan 8.290 nan 0.000 0.509 516 G N -1.659 107.147 108.800 0.010 0.000 2.378 516 G HA2 0.441 4.401 3.960 0.000 0.000 0.255 516 G HA3 0.441 4.401 3.960 0.000 0.000 0.255 516 G C -0.656 174.158 174.900 -0.144 0.000 1.270 516 G CA -0.073 45.001 45.100 -0.045 0.000 0.876 516 G HN 0.581 nan 8.290 nan 0.000 0.521 517 V N 2.967 122.721 119.914 -0.268 0.000 2.540 517 V HA 0.240 4.360 4.120 0.000 0.000 0.302 517 V C -0.680 175.046 176.094 -0.613 0.000 1.035 517 V CA -0.929 61.023 62.300 -0.580 0.000 0.873 517 V CB 1.972 33.113 31.823 -1.137 0.000 0.992 517 V HN 0.763 nan 8.190 nan 0.000 0.428 518 D N 3.340 123.455 120.400 -0.475 0.000 2.441 518 D HA 0.280 4.920 4.640 0.000 0.000 0.221 518 D C 0.482 176.578 176.300 -0.340 0.000 1.156 518 D CA -0.238 53.581 54.000 -0.302 0.000 0.896 518 D CB 0.684 41.377 40.800 -0.177 0.000 1.028 518 D HN 0.366 nan 8.370 nan 0.000 0.509 519 F N 2.078 121.939 119.950 -0.149 0.000 2.456 519 F HA -0.094 4.433 4.527 0.000 0.000 0.298 519 F C 2.286 178.003 175.800 -0.138 0.000 1.104 519 F CA 0.133 58.045 58.000 -0.147 0.000 1.435 519 F CB -0.078 38.794 39.000 -0.214 0.000 1.078 519 F HN 0.269 nan 8.300 nan 0.000 0.546 520 V N 0.074 119.987 119.914 -0.001 0.000 2.237 520 V HA -0.306 3.814 4.120 0.000 0.000 0.245 520 V C 2.623 178.685 176.094 -0.053 0.000 1.046 520 V CA 1.955 64.217 62.300 -0.063 0.000 1.007 520 V CB -1.330 30.445 31.823 -0.080 0.000 0.638 520 V HN 0.331 nan 8.190 nan 0.000 0.445 521 A N -0.597 122.188 122.820 -0.059 0.000 1.972 521 A HA -0.191 4.129 4.320 0.000 0.000 0.219 521 A C 2.158 179.719 177.584 -0.038 0.000 1.169 521 A CA 2.007 54.013 52.037 -0.052 0.000 0.635 521 A CB -0.545 18.415 19.000 -0.066 0.000 0.810 521 A HN 0.452 nan 8.150 nan 0.000 0.446 522 L N -0.380 120.818 121.223 -0.042 0.000 2.005 522 L HA -0.061 4.279 4.340 0.000 0.000 0.207 522 L C 2.807 179.713 176.870 0.060 0.000 1.072 522 L CA 2.057 56.901 54.840 0.006 0.000 0.744 522 L CB -0.680 41.388 42.059 0.014 0.000 0.895 522 L HN 0.347 nan 8.230 nan 0.000 0.433 523 A N -0.873 121.993 122.820 0.075 0.000 1.892 523 A HA -0.297 4.023 4.320 0.000 0.000 0.218 523 A C 2.231 179.831 177.584 0.027 0.000 1.188 523 A CA 2.165 54.239 52.037 0.062 0.000 0.631 523 A CB -0.774 18.227 19.000 0.003 0.000 0.822 523 A HN 0.586 nan 8.150 nan 0.000 0.447 524 E N -0.669 119.533 120.200 0.003 0.000 2.150 524 E HA -0.037 4.313 4.350 0.000 0.000 0.193 524 E C 2.212 178.818 176.600 0.011 0.000 0.985 524 E CA 0.762 57.164 56.400 0.003 0.000 0.814 524 E CB -0.236 29.459 29.700 -0.009 0.000 0.752 524 E HN 0.631 nan 8.360 nan 0.000 0.466 525 A N 1.274 124.100 122.820 0.010 0.000 1.972 525 A HA -0.155 4.165 4.320 0.000 0.000 0.219 525 A C 1.711 179.307 177.584 0.020 0.000 1.169 525 A CA 1.126 53.170 52.037 0.012 0.000 0.635 525 A CB -0.232 18.772 19.000 0.008 0.000 0.810 525 A HN 0.168 nan 8.150 nan 0.000 0.446 526 N N -0.724 117.994 118.700 0.030 0.000 2.398 526 N HA 0.107 4.848 4.740 0.000 0.000 0.188 526 N C 0.962 176.493 175.510 0.035 0.000 1.122 526 N CA 0.865 53.936 53.050 0.035 0.000 0.866 526 N CB 0.310 38.825 38.487 0.048 0.000 0.970 526 N HN 0.622 nan 8.380 nan 0.000 0.462 527 G N 0.596 109.415 108.800 0.032 0.000 2.147 527 G HA2 -0.240 3.720 3.960 0.000 0.000 0.244 527 G HA3 -0.240 3.720 3.960 0.000 0.000 0.244 527 G C -0.209 174.717 174.900 0.045 0.000 1.005 527 G CA -0.035 45.086 45.100 0.035 0.000 0.713 527 G HN 0.165 nan 8.290 nan 0.000 0.515 528 V N 1.233 121.174 119.914 0.044 0.000 2.384 528 V HA 0.392 4.512 4.120 0.000 0.000 0.287 528 V C 0.054 176.166 176.094 0.030 0.000 1.020 528 V CA -1.247 61.083 62.300 0.050 0.000 0.850 528 V CB 1.676 33.528 31.823 0.048 0.000 0.987 528 V HN 0.267 nan 8.190 nan 0.000 0.436 529 D N 3.531 123.981 120.400 0.083 0.000 2.399 529 D HA 0.607 5.247 4.640 0.000 0.000 0.241 529 D C 0.147 176.353 176.300 -0.157 0.000 1.133 529 D CA 0.466 54.523 54.000 0.094 0.000 0.890 529 D CB 1.933 42.903 40.800 0.284 0.000 1.201 529 D HN 0.796 nan 8.370 nan 0.000 0.432 530 A N 0.976 123.642 122.820 -0.257 0.000 2.602 530 A HA 0.725 5.045 4.320 0.000 0.000 0.290 530 A C -0.641 176.724 177.584 -0.365 0.000 1.114 530 A CA -0.573 51.107 52.037 -0.596 0.000 0.683 530 A CB 2.378 21.166 19.000 -0.353 0.000 1.281 530 A HN 0.431 nan 8.150 nan 0.000 0.416 531 T N -0.728 113.591 114.554 -0.392 0.000 2.840 531 T HA 0.552 4.902 4.350 0.000 0.000 0.317 531 T C -1.196 173.416 174.700 -0.147 0.000 1.401 531 T CA -0.522 61.486 62.100 -0.154 0.000 1.028 531 T CB 1.358 70.231 68.868 0.009 0.000 1.317 531 T HN 0.868 nan 8.240 nan 0.000 0.495 532 R N 1.250 121.699 120.500 -0.085 0.000 2.404 532 R HA 0.790 5.131 4.340 0.000 0.000 0.291 532 R C -1.019 175.244 176.300 -0.061 0.000 1.025 532 R CA -0.356 55.696 56.100 -0.079 0.000 0.991 532 R CB 0.989 31.253 30.300 -0.060 0.000 1.053 532 R HN 0.699 nan 8.270 nan 0.000 0.479 533 A N 1.878 124.655 122.820 -0.071 0.000 2.381 533 A HA 0.333 4.653 4.320 0.000 0.000 0.299 533 A C 0.046 177.592 177.584 -0.064 0.000 1.049 533 A CA -0.625 51.378 52.037 -0.057 0.000 0.715 533 A CB 1.606 20.573 19.000 -0.055 0.000 1.222 533 A HN 0.866 nan 8.150 nan 0.000 0.428 534 T N -1.609 112.915 114.554 -0.050 0.000 3.040 534 T HA 0.314 4.664 4.350 0.000 0.000 0.266 534 T C 0.215 174.891 174.700 -0.040 0.000 1.005 534 T CA 0.454 62.525 62.100 -0.049 0.000 0.906 534 T CB -0.619 68.225 68.868 -0.039 0.000 1.082 534 T HN 0.976 nan 8.240 nan 0.000 0.531 535 N N -0.372 118.307 118.700 -0.035 0.000 3.020 535 N HA 0.401 5.141 4.740 0.000 0.000 0.248 535 N C 0.326 175.820 175.510 -0.027 0.000 1.480 535 N CA -1.138 51.897 53.050 -0.026 0.000 0.874 535 N CB 0.963 39.440 38.487 -0.017 0.000 1.433 535 N HN -0.188 nan 8.380 nan 0.000 0.530 536 R N -0.198 120.290 120.500 -0.020 0.000 2.103 536 R HA -0.170 4.170 4.340 0.000 0.000 0.242 536 R C 1.401 177.693 176.300 -0.014 0.000 1.142 536 R CA 1.975 58.065 56.100 -0.017 0.000 0.960 536 R CB -0.219 30.075 30.300 -0.010 0.000 0.858 536 R HN 0.778 nan 8.270 nan 0.000 0.439 537 E N 0.830 121.022 120.200 -0.013 0.000 2.051 537 E HA -0.218 4.132 4.350 0.000 0.000 0.192 537 E C 1.670 178.264 176.600 -0.010 0.000 0.991 537 E CA 1.299 57.693 56.400 -0.010 0.000 0.799 537 E CB 0.131 29.825 29.700 -0.011 0.000 0.748 537 E HN 0.373 nan 8.360 nan 0.000 0.449 538 E N 0.113 120.305 120.200 -0.013 0.000 2.106 538 E HA -0.185 4.165 4.350 0.000 0.000 0.192 538 E C 2.095 178.688 176.600 -0.012 0.000 0.984 538 E CA 0.690 57.084 56.400 -0.011 0.000 0.806 538 E CB -0.005 29.685 29.700 -0.016 0.000 0.750 538 E HN 0.188 nan 8.360 nan 0.000 0.458 539 L N 0.738 121.948 121.223 -0.022 0.000 2.072 539 L HA -0.097 4.243 4.340 0.000 0.000 0.205 539 L C 1.945 178.802 176.870 -0.022 0.000 1.079 539 L CA 1.388 56.209 54.840 -0.030 0.000 0.752 539 L CB -0.269 41.763 42.059 -0.045 0.000 0.906 539 L HN 0.105 nan 8.230 nan 0.000 0.436 540 L N -0.499 120.717 121.223 -0.012 0.000 2.042 540 L HA -0.204 4.136 4.340 0.000 0.000 0.210 540 L C 2.638 179.505 176.870 -0.005 0.000 1.076 540 L CA 1.304 56.142 54.840 -0.002 0.000 0.749 540 L CB -0.862 41.200 42.059 0.006 0.000 0.893 540 L HN 0.396 nan 8.230 nan 0.000 0.432 541 A N -0.279 122.538 122.820 -0.005 0.000 1.898 541 A HA -0.099 4.221 4.320 0.000 0.000 0.216 541 A C 2.519 180.096 177.584 -0.012 0.000 1.181 541 A CA 1.492 53.523 52.037 -0.009 0.000 0.620 541 A CB -0.659 18.338 19.000 -0.005 0.000 0.819 541 A HN 0.389 nan 8.150 nan 0.000 0.442 542 A N -0.139 122.693 122.820 0.019 0.000 1.877 542 A HA -0.066 4.254 4.320 0.000 0.000 0.216 542 A C 2.169 179.785 177.584 0.054 0.000 1.186 542 A CA 1.534 53.629 52.037 0.097 0.000 0.620 542 A CB -0.660 18.417 19.000 0.128 0.000 0.822 542 A HN 0.462 nan 8.150 nan 0.000 0.443 543 L N -1.241 119.968 121.223 -0.024 0.000 2.083 543 L HA -0.199 4.141 4.340 0.000 0.000 0.209 543 L C 2.879 179.699 176.870 -0.084 0.000 1.083 543 L CA 1.567 56.335 54.840 -0.119 0.000 0.752 543 L CB -0.374 41.596 42.059 -0.148 0.000 0.899 543 L HN 0.347 nan 8.230 nan 0.000 0.433 544 R N -0.320 120.153 120.500 -0.045 0.000 2.090 544 R HA -0.146 4.194 4.340 0.000 0.000 0.228 544 R C 2.302 178.548 176.300 -0.090 0.000 1.110 544 R CA 0.997 57.081 56.100 -0.028 0.000 0.973 544 R CB -0.163 30.130 30.300 -0.012 0.000 0.869 544 R HN 0.242 nan 8.270 nan 0.000 0.440 545 K N 0.306 120.606 120.400 -0.165 0.000 2.002 545 K HA -0.122 4.198 4.320 0.000 0.000 0.209 545 K C 2.069 178.394 176.600 -0.459 0.000 1.048 545 K CA 1.760 57.863 56.287 -0.306 0.000 0.930 545 K CB -0.345 31.929 32.500 -0.376 0.000 0.714 545 K HN 0.241 nan 8.250 nan 0.000 0.438 546 G N 0.313 108.779 108.800 -0.557 0.000 2.418 546 G HA2 -0.262 3.698 3.960 0.000 0.000 0.217 546 G HA3 -0.262 3.698 3.960 0.000 0.000 0.217 546 G C 1.576 176.413 174.900 -0.104 0.000 1.158 546 G CA 0.958 45.810 45.100 -0.414 0.000 0.771 546 G HN 0.466 nan 8.290 nan 0.000 0.545 547 A N 0.221 123.031 122.820 -0.018 0.000 1.969 547 A HA 0.251 4.571 4.320 0.000 0.000 0.218 547 A C 2.233 179.849 177.584 0.054 0.000 1.169 547 A CA 2.308 54.424 52.037 0.131 0.000 0.635 547 A CB -0.474 18.665 19.000 0.231 0.000 0.810 547 A HN 0.581 nan 8.150 nan 0.000 0.445 548 E N -0.948 119.241 120.200 -0.018 0.000 2.474 548 E HA 0.388 4.738 4.350 0.000 0.000 0.195 548 E C 1.543 178.113 176.600 -0.051 0.000 1.039 548 E CA 0.548 56.932 56.400 -0.026 0.000 0.881 548 E CB -0.537 29.143 29.700 -0.034 0.000 0.970 548 E HN 0.434 nan 8.360 nan 0.000 0.486 549 L N -0.096 121.075 121.223 -0.086 0.000 2.291 549 L HA 0.267 4.607 4.340 0.000 0.000 0.214 549 L C 2.070 178.921 176.870 -0.030 0.000 1.120 549 L CA 1.808 56.592 54.840 -0.095 0.000 0.799 549 L CB -0.123 41.836 42.059 -0.167 0.000 0.925 549 L HN 0.511 nan 8.230 nan 0.000 0.446 550 G N 0.115 108.913 108.800 -0.003 0.000 2.203 550 G HA2 -0.322 3.638 3.960 0.000 0.000 0.263 550 G HA3 -0.322 3.638 3.960 0.000 0.000 0.263 550 G C 0.500 175.417 174.900 0.029 0.000 1.012 550 G CA 0.689 45.799 45.100 0.016 0.000 0.749 550 G HN 0.443 nan 8.290 nan 0.000 0.512 551 R N -0.700 119.825 120.500 0.041 0.000 2.710 551 R HA 0.421 4.761 4.340 0.000 0.000 0.270 551 R C -2.734 173.626 176.300 0.101 0.000 1.021 551 R CA -1.803 54.335 56.100 0.063 0.000 0.889 551 R CB 2.288 32.626 30.300 0.063 0.000 1.243 551 R HN 0.045 nan 8.270 nan 0.000 0.464 552 P HA 0.138 nan 4.420 nan 0.000 0.270 552 P C -1.072 176.371 177.300 0.238 0.000 1.223 552 P CA 0.202 63.389 63.100 0.145 0.000 0.785 552 P CB 0.567 32.332 31.700 0.109 0.000 0.923 553 F N 1.161 121.115 119.950 0.007 0.000 2.628 553 F HA 0.554 5.081 4.527 0.000 0.000 0.309 553 F C -1.748 174.025 175.800 -0.046 0.000 1.108 553 F CA -0.971 57.017 58.000 -0.020 0.000 0.971 553 F CB 1.494 40.472 39.000 -0.036 0.000 1.279 553 F HN 0.182 nan 8.300 nan 0.000 0.441 554 L N 6.208 127.083 121.223 -0.580 0.000 2.381 554 L HA 0.787 5.127 4.340 0.000 0.000 0.268 554 L C -1.672 174.816 176.870 -0.636 0.000 0.997 554 L CA -0.518 54.046 54.840 -0.460 0.000 0.818 554 L CB 1.870 43.754 42.059 -0.292 0.000 1.310 554 L HN 0.577 nan 8.230 nan 0.000 0.416 555 I N 3.632 123.947 120.570 -0.425 0.000 2.439 555 I HA 0.363 4.534 4.170 0.000 0.000 0.285 555 I C -0.670 175.267 176.117 -0.300 0.000 1.021 555 I CA -0.463 60.637 61.300 -0.333 0.000 1.091 555 I CB 1.929 39.801 38.000 -0.214 0.000 1.242 555 I HN 0.602 nan 8.210 nan 0.000 0.439 556 E N 6.211 126.266 120.200 -0.242 0.000 2.200 556 E HA 0.485 4.835 4.350 0.000 0.000 0.283 556 E C -1.452 175.045 176.600 -0.172 0.000 1.015 556 E CA -0.545 55.726 56.400 -0.214 0.000 0.819 556 E CB 1.492 31.130 29.700 -0.103 0.000 1.081 556 E HN 0.393 nan 8.360 nan 0.000 0.397 557 V N 7.403 127.199 119.914 -0.196 0.000 2.378 557 V HA 0.341 4.461 4.120 0.000 0.000 0.288 557 V C -2.186 173.812 176.094 -0.161 0.000 1.016 557 V CA -1.985 60.217 62.300 -0.163 0.000 0.840 557 V CB 1.340 33.059 31.823 -0.173 0.000 0.994 557 V HN 0.726 nan 8.190 nan 0.000 0.431 558 P HA 0.217 nan 4.420 nan 0.000 0.267 558 P C -0.561 176.635 177.300 -0.173 0.000 1.205 558 P CA 0.303 63.326 63.100 -0.127 0.000 0.765 558 P CB 1.338 32.982 31.700 -0.093 0.000 0.828 559 V N 1.051 120.828 119.914 -0.227 0.000 3.141 559 V HA 0.703 4.823 4.120 0.000 0.000 0.312 559 V C -0.773 175.083 176.094 -0.396 0.000 1.157 559 V CA -1.025 61.082 62.300 -0.321 0.000 1.041 559 V CB 2.273 33.866 31.823 -0.384 0.000 1.071 559 V HN 0.456 nan 8.190 nan 0.000 0.441 560 N N -0.293 118.131 118.700 -0.460 0.000 2.396 560 N HA 0.662 5.402 4.740 0.000 0.000 0.275 560 N C -1.092 174.147 175.510 -0.452 0.000 1.218 560 N CA -0.548 52.217 53.050 -0.474 0.000 0.812 560 N CB 2.252 40.580 38.487 -0.266 0.000 1.592 560 N HN 0.732 nan 8.380 nan 0.000 0.480 561 Y N 0.336 120.551 120.300 -0.143 0.000 2.539 561 Y HA 0.242 4.792 4.550 0.000 0.000 0.284 561 Y C 0.640 176.422 175.900 -0.198 0.000 1.134 561 Y CA 0.678 58.732 58.100 -0.077 0.000 1.251 561 Y CB -0.373 38.077 38.460 -0.018 0.000 1.260 561 Y HN 0.760 nan 8.280 nan 0.000 0.528 562 D N 1.280 121.503 120.400 -0.295 0.000 4.075 562 D HA -0.200 4.440 4.640 0.000 0.000 0.228 562 D C -0.193 176.012 176.300 -0.158 0.000 1.057 562 D CA 0.644 54.483 54.000 -0.268 0.000 1.199 562 D CB -2.238 38.517 40.800 -0.075 0.000 0.777 562 D HN 0.271 nan 8.370 nan 0.000 0.388 563 F N 0.000 120.006 119.950 0.093 0.000 2.286 563 F HA 0.000 4.527 4.527 0.000 0.000 0.279 563 F CA 0.000 58.039 58.000 0.066 0.000 1.383 563 F CB 0.000 38.990 39.000 -0.017 0.000 1.145 563 F HN 0.000 nan 8.300 nan 0.000 0.574