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 3inj_1_A DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGRE LGEYGLQAYT EVKTVTVKVP QKNS 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.571 177.584 -0.022 0.000 1.274 7 A CA 0.000 52.044 52.037 0.011 0.000 0.836 7 A CB 0.000 19.020 19.000 0.033 0.000 0.831 8 V N 2.393 122.263 119.914 -0.072 0.000 2.427 8 V HA 0.447 4.569 4.120 0.002 0.000 0.286 8 V C -2.200 173.777 176.094 -0.196 0.000 1.034 8 V CA -1.528 60.617 62.300 -0.259 0.000 0.893 8 V CB 1.037 32.711 31.823 -0.249 0.000 0.982 8 V HN 0.359 nan 8.190 nan 0.000 0.452 9 P HA 0.243 nan 4.420 nan 0.000 0.268 9 P C -0.182 177.123 177.300 0.009 0.000 1.205 9 P CA -0.082 62.962 63.100 -0.094 0.000 0.771 9 P CB 0.432 32.095 31.700 -0.061 0.000 0.858 10 A N 5.039 127.866 122.820 0.011 0.000 2.565 10 A HA 0.257 4.579 4.320 0.002 0.000 0.237 10 A C -1.717 175.819 177.584 -0.079 0.000 1.053 10 A CA -0.599 51.429 52.037 -0.014 0.000 0.755 10 A CB -1.141 17.840 19.000 -0.031 0.000 0.980 10 A HN 0.439 nan 8.150 nan 0.000 0.506 11 P HA 0.131 nan 4.420 nan 0.000 0.277 11 P C -0.809 176.293 177.300 -0.331 0.000 1.240 11 P CA -0.672 62.083 63.100 -0.574 0.000 0.798 11 P CB 0.704 31.783 31.700 -1.034 0.000 0.979 12 N N 1.930 120.479 118.700 -0.253 0.000 2.415 12 N HA 0.026 4.768 4.740 0.002 0.000 0.246 12 N C 0.836 176.073 175.510 -0.455 0.000 1.078 12 N CA 0.109 53.013 53.050 -0.242 0.000 0.942 12 N CB 0.431 38.861 38.487 -0.094 0.000 1.140 12 N HN 0.258 nan 8.380 nan 0.000 0.501 13 Q N 1.894 121.314 119.800 -0.633 0.000 2.435 13 Q HA -0.003 4.338 4.340 0.002 0.000 0.207 13 Q C -0.227 175.319 176.000 -0.757 0.000 0.956 13 Q CA 0.826 55.924 55.803 -1.175 0.000 0.917 13 Q CB 0.313 28.481 28.738 -0.950 0.000 0.997 13 Q HN 0.637 nan 8.270 nan 0.000 0.497 14 Q N 1.311 120.865 119.800 -0.410 0.000 3.300 14 Q HA 0.254 4.596 4.340 0.002 0.000 0.271 14 Q C -2.476 173.419 176.000 -0.175 0.000 0.926 14 Q CA -1.503 54.148 55.803 -0.253 0.000 0.788 14 Q CB 1.379 30.002 28.738 -0.192 0.000 1.385 14 Q HN 0.105 nan 8.270 nan 0.000 0.424 15 P HA -0.071 nan 4.420 nan 0.000 0.268 15 P C -0.324 176.898 177.300 -0.129 0.000 1.204 15 P CA 0.121 63.167 63.100 -0.089 0.000 0.768 15 P CB 1.010 32.600 31.700 -0.182 0.000 0.842 16 E N 1.940 122.047 120.200 -0.155 0.000 2.366 16 E HA 0.198 4.549 4.350 0.002 0.000 0.266 16 E C -0.791 175.410 176.600 -0.664 0.000 1.051 16 E CA -0.657 55.507 56.400 -0.392 0.000 0.884 16 E CB 0.742 30.181 29.700 -0.435 0.000 1.006 16 E HN 0.143 nan 8.360 nan 0.000 0.417 17 V N 5.674 125.261 119.914 -0.545 0.000 2.465 17 V HA 0.129 4.251 4.120 0.002 0.000 0.279 17 V C 0.117 175.892 176.094 -0.532 0.000 1.045 17 V CA 0.007 62.043 62.300 -0.439 0.000 0.938 17 V CB 0.909 32.602 31.823 -0.216 0.000 0.986 17 V HN 0.726 nan 8.190 nan 0.000 0.467 18 F N 1.281 121.244 119.950 0.023 0.000 2.680 18 F HA 0.261 4.789 4.527 0.002 0.000 0.290 18 F C 0.866 176.563 175.800 -0.172 0.000 1.114 18 F CA -0.131 57.851 58.000 -0.029 0.000 1.333 18 F CB 0.440 39.473 39.000 0.055 0.000 1.091 18 F HN 0.389 nan 8.300 nan 0.000 0.606 19 C N 2.055 121.324 119.300 -0.052 0.000 2.364 19 C HA 0.443 4.904 4.460 0.002 0.000 0.324 19 C C 0.217 175.000 174.990 -0.346 0.000 1.234 19 C CA -0.876 57.859 59.018 -0.472 0.000 1.417 19 C CB 0.534 27.925 27.740 -0.582 0.000 2.101 19 C HN 0.530 nan 8.230 nan 0.000 0.466 20 N N 1.090 119.559 118.700 -0.385 0.000 2.381 20 N HA 0.094 4.835 4.740 0.002 0.000 0.257 20 N C -0.483 174.965 175.510 -0.104 0.000 1.409 20 N CA -0.222 52.713 53.050 -0.192 0.000 0.836 20 N CB 0.114 38.499 38.487 -0.171 0.000 1.384 20 N HN 0.803 nan 8.380 nan 0.000 0.490 21 Q N -0.139 119.648 119.800 -0.023 0.000 2.962 21 Q HA 0.581 4.923 4.340 0.002 0.000 0.282 21 Q C -0.506 175.811 176.000 0.529 0.000 1.058 21 Q CA -0.932 55.019 55.803 0.247 0.000 0.854 21 Q CB 2.023 30.949 28.738 0.314 0.000 1.441 21 Q HN 0.136 nan 8.270 nan 0.000 0.497 22 I N 1.458 122.309 120.570 0.469 0.000 2.441 22 I HA 0.148 4.320 4.170 0.002 0.000 0.287 22 I C -0.769 175.586 176.117 0.396 0.000 1.049 22 I CA -0.052 61.473 61.300 0.374 0.000 1.381 22 I CB 0.410 38.530 38.000 0.200 0.000 1.409 22 I HN 0.383 nan 8.210 nan 0.000 0.523 23 F N 8.398 128.343 119.950 -0.009 0.000 2.332 23 F HA 0.595 5.124 4.527 0.002 0.000 0.368 23 F C -0.500 175.150 175.800 -0.249 0.000 1.110 23 F CA -0.432 57.330 58.000 -0.398 0.000 1.087 23 F CB 0.400 38.998 39.000 -0.669 0.000 1.235 23 F HN 0.178 nan 8.300 nan 0.000 0.470 24 I N 5.602 125.832 120.570 -0.566 0.000 2.569 24 I HA 0.209 4.380 4.170 0.002 0.000 0.290 24 I C -0.387 175.436 176.117 -0.490 0.000 1.088 24 I CA -1.025 59.982 61.300 -0.489 0.000 1.047 24 I CB 1.853 39.553 38.000 -0.499 0.000 1.237 24 I HN 0.483 nan 8.210 nan 0.000 0.421 25 N N 4.729 123.164 118.700 -0.442 0.000 2.735 25 N HA -0.245 4.497 4.740 0.002 0.000 0.248 25 N C 0.131 175.377 175.510 -0.441 0.000 1.083 25 N CA 1.293 54.146 53.050 -0.329 0.000 0.703 25 N CB -1.107 37.282 38.487 -0.165 0.000 1.005 25 N HN 0.943 nan 8.380 nan 0.000 0.550 26 N N -1.699 116.495 118.700 -0.845 0.000 2.753 26 N HA -0.238 4.503 4.740 0.002 0.000 0.251 26 N C -0.806 174.314 175.510 -0.651 0.000 1.097 26 N CA 1.279 53.863 53.050 -0.776 0.000 0.786 26 N CB -0.366 37.998 38.487 -0.204 0.000 1.137 26 N HN 0.613 nan 8.380 nan 0.000 0.566 27 E N -0.971 118.769 120.200 -0.768 0.000 2.299 27 E HA 0.421 4.773 4.350 0.002 0.000 0.265 27 E C -0.969 175.339 176.600 -0.487 0.000 0.911 27 E CA -0.701 55.427 56.400 -0.453 0.000 0.789 27 E CB 1.124 30.659 29.700 -0.275 0.000 1.246 27 E HN 0.122 nan 8.360 nan 0.000 0.427 28 W N 1.321 122.598 121.300 -0.039 0.000 2.433 28 W HA 0.326 4.987 4.660 0.002 0.000 0.315 28 W C 0.196 176.648 176.519 -0.111 0.000 1.087 28 W CA -0.331 57.054 57.345 0.067 0.000 1.205 28 W CB 0.944 30.466 29.460 0.103 0.000 1.288 28 W HN 0.275 nan 8.180 nan 0.000 0.504 29 H N 1.758 120.992 119.070 0.273 0.000 2.690 29 H HA 0.194 4.751 4.556 0.002 0.000 0.368 29 H C -0.739 174.678 175.328 0.148 0.000 1.150 29 H CA -1.000 55.136 56.048 0.146 0.000 1.174 29 H CB 1.972 31.774 29.762 0.067 0.000 1.684 29 H HN 0.222 nan 8.280 nan 0.000 0.538 30 D N 0.858 121.379 120.400 0.202 0.000 2.344 30 D HA 0.234 4.875 4.640 0.002 0.000 0.244 30 D C 0.369 176.749 176.300 0.134 0.000 1.134 30 D CA -0.318 53.764 54.000 0.137 0.000 0.930 30 D CB 0.961 41.812 40.800 0.086 0.000 1.175 30 D HN 0.603 nan 8.370 nan 0.000 0.437 31 A N 1.010 123.887 122.820 0.095 0.000 2.520 31 A HA 0.071 4.392 4.320 0.002 0.000 0.235 31 A C 1.558 179.181 177.584 0.065 0.000 1.065 31 A CA -0.427 51.653 52.037 0.072 0.000 0.764 31 A CB 0.259 19.292 19.000 0.054 0.000 1.002 31 A HN 0.436 nan 8.150 nan 0.000 0.502 32 V N 2.407 122.353 119.914 0.053 0.000 2.392 32 V HA -0.247 3.874 4.120 0.002 0.000 0.249 32 V C 2.612 178.732 176.094 0.043 0.000 1.059 32 V CA 2.735 65.064 62.300 0.048 0.000 1.051 32 V CB -0.815 31.030 31.823 0.037 0.000 0.658 32 V HN 1.127 nan 8.190 nan 0.000 0.455 33 S N -1.117 114.608 115.700 0.041 0.000 2.603 33 S HA -0.018 4.453 4.470 0.002 0.000 0.220 33 S C 1.298 175.924 174.600 0.042 0.000 0.967 33 S CA 0.363 58.587 58.200 0.040 0.000 0.920 33 S CB -0.141 63.084 63.200 0.041 0.000 0.773 33 S HN 0.448 nan 8.310 nan 0.000 0.529 34 R N 0.194 120.721 120.500 0.045 0.000 4.024 34 R HA -0.136 4.206 4.340 0.002 0.000 0.391 34 R C -0.414 175.912 176.300 0.043 0.000 1.157 34 R CA 1.394 57.519 56.100 0.043 0.000 1.215 34 R CB -2.273 28.049 30.300 0.037 0.000 1.738 34 R HN 0.585 nan 8.270 nan 0.000 0.566 35 K N 0.822 121.253 120.400 0.050 0.000 2.414 35 K HA 0.226 4.547 4.320 0.002 0.000 0.272 35 K C 0.806 177.446 176.600 0.066 0.000 0.993 35 K CA 0.959 57.285 56.287 0.066 0.000 0.964 35 K CB 0.643 33.191 32.500 0.081 0.000 0.925 35 K HN 0.307 nan 8.250 nan 0.000 0.487 36 T N -1.044 113.557 114.554 0.078 0.000 2.864 36 T HA 0.735 5.087 4.350 0.002 0.000 0.289 36 T C -0.898 173.908 174.700 0.176 0.000 1.082 36 T CA -1.020 61.108 62.100 0.047 0.000 1.009 36 T CB 0.863 69.705 68.868 -0.044 0.000 1.234 36 T HN 0.479 nan 8.240 nan 0.000 0.526 37 F N -1.742 118.246 119.950 0.065 0.000 2.619 37 F HA 0.833 5.362 4.527 0.002 0.000 0.308 37 F C -3.415 172.442 175.800 0.095 0.000 1.097 37 F CA -2.935 55.146 58.000 0.135 0.000 0.953 37 F CB 0.932 40.097 39.000 0.275 0.000 1.287 37 F HN 0.389 nan 8.300 nan 0.000 0.446 38 P HA 0.259 nan 4.420 nan 0.000 0.285 38 P C -0.739 176.701 177.300 0.234 0.000 1.259 38 P CA -0.192 62.984 63.100 0.128 0.000 0.794 38 P CB 1.693 33.460 31.700 0.112 0.000 0.940 39 T N 2.164 116.785 114.554 0.112 0.000 2.824 39 T HA 0.462 4.814 4.350 0.002 0.000 0.280 39 T C -0.632 174.106 174.700 0.063 0.000 0.995 39 T CA -0.550 61.634 62.100 0.141 0.000 1.009 39 T CB 0.349 69.297 68.868 0.134 0.000 0.955 39 T HN 0.011 nan 8.240 nan 0.000 0.452 40 V N 5.418 125.365 119.914 0.056 0.000 2.630 40 V HA 0.427 4.548 4.120 0.002 0.000 0.305 40 V C 0.484 176.585 176.094 0.012 0.000 1.046 40 V CA -1.102 61.216 62.300 0.031 0.000 0.934 40 V CB 1.739 33.591 31.823 0.049 0.000 1.003 40 V HN 0.960 nan 8.190 nan 0.000 0.451 41 N N 5.373 124.070 118.700 -0.005 0.000 2.401 41 N HA 0.198 4.940 4.740 0.002 0.000 0.255 41 N C -1.598 173.888 175.510 -0.039 0.000 1.110 41 N CA -1.348 51.693 53.050 -0.015 0.000 0.949 41 N CB 1.298 39.780 38.487 -0.009 0.000 1.110 41 N HN 0.411 nan 8.380 nan 0.000 0.490 42 P HA -0.035 nan 4.420 nan 0.000 0.230 42 P C 0.482 177.647 177.300 -0.225 0.000 1.158 42 P CA 0.737 63.806 63.100 -0.052 0.000 0.769 42 P CB 0.393 32.077 31.700 -0.027 0.000 0.807 43 S N -0.554 115.061 115.700 -0.141 0.000 2.446 43 S HA -0.032 4.439 4.470 0.002 0.000 0.225 43 S C 1.818 176.424 174.600 0.009 0.000 1.016 43 S CA 1.734 59.907 58.200 -0.046 0.000 0.943 43 S CB -0.496 62.761 63.200 0.095 0.000 0.786 43 S HN 0.434 nan 8.310 nan 0.000 0.508 44 T N -3.143 111.368 114.554 -0.072 0.000 2.958 44 T HA 0.431 4.783 4.350 0.002 0.000 0.256 44 T C 1.464 176.070 174.700 -0.157 0.000 0.983 44 T CA 0.897 62.948 62.100 -0.081 0.000 0.924 44 T CB 0.372 69.215 68.868 -0.042 0.000 1.136 44 T HN 0.459 nan 8.240 nan 0.000 0.506 45 G N 1.519 110.195 108.800 -0.207 0.000 2.162 45 G HA2 -0.202 3.760 3.960 0.002 0.000 0.260 45 G HA3 -0.202 3.760 3.960 0.002 0.000 0.260 45 G C -0.217 174.629 174.900 -0.089 0.000 0.976 45 G CA 0.202 45.176 45.100 -0.211 0.000 0.655 45 G HN 0.614 nan 8.290 nan 0.000 0.533 46 E N 0.236 120.395 120.200 -0.067 0.000 2.216 46 E HA 0.467 4.818 4.350 0.002 0.000 0.279 46 E C 0.749 177.334 176.600 -0.025 0.000 0.997 46 E CA -0.731 55.644 56.400 -0.042 0.000 0.817 46 E CB 2.006 31.680 29.700 -0.044 0.000 1.096 46 E HN 0.138 nan 8.360 nan 0.000 0.393 47 V N 4.780 124.685 119.914 -0.016 0.000 2.584 47 V HA -0.099 4.022 4.120 0.002 0.000 0.303 47 V C 1.776 177.855 176.094 -0.024 0.000 1.035 47 V CA 0.683 62.977 62.300 -0.009 0.000 1.172 47 V CB -0.143 31.677 31.823 -0.005 0.000 0.896 47 V HN 0.661 nan 8.190 nan 0.000 0.486 48 I N 3.923 124.479 120.570 -0.025 0.000 2.339 48 I HA 0.054 4.226 4.170 0.002 0.000 0.245 48 I C 0.996 177.079 176.117 -0.058 0.000 1.096 48 I CA 1.376 62.651 61.300 -0.042 0.000 1.408 48 I CB 0.243 38.219 38.000 -0.039 0.000 1.092 48 I HN 0.909 nan 8.210 nan 0.000 0.423 49 C N -2.070 117.195 119.300 -0.058 0.000 3.216 49 C HA 0.517 4.978 4.460 0.002 0.000 0.346 49 C C -1.047 173.884 174.990 -0.099 0.000 1.384 49 C CA -1.157 57.813 59.018 -0.079 0.000 1.208 49 C CB 1.070 28.750 27.740 -0.100 0.000 1.483 49 C HN 0.156 nan 8.230 nan 0.000 0.453 50 Q N 0.295 120.023 119.800 -0.121 0.000 2.227 50 Q HA 0.838 5.180 4.340 0.002 0.000 0.245 50 Q C -0.613 175.218 176.000 -0.282 0.000 0.926 50 Q CA -0.318 55.380 55.803 -0.175 0.000 0.895 50 Q CB 1.677 30.348 28.738 -0.112 0.000 1.230 50 Q HN 0.773 nan 8.270 nan 0.000 0.450 51 V N 1.125 120.728 119.914 -0.519 0.000 2.789 51 V HA 0.694 4.816 4.120 0.002 0.000 0.311 51 V C -0.798 174.978 176.094 -0.530 0.000 1.073 51 V CA -1.344 60.592 62.300 -0.607 0.000 0.921 51 V CB 1.984 33.242 31.823 -0.942 0.000 1.009 51 V HN 0.910 nan 8.190 nan 0.000 0.426 52 A N 2.537 125.232 122.820 -0.208 0.000 2.548 52 A HA 0.168 4.490 4.320 0.002 0.000 0.247 52 A C 0.405 178.017 177.584 0.047 0.000 1.067 52 A CA 0.348 52.360 52.037 -0.042 0.000 0.757 52 A CB -0.098 18.941 19.000 0.064 0.000 0.996 52 A HN 0.841 nan 8.150 nan 0.000 0.504 53 E N 2.990 123.246 120.200 0.093 0.000 1.936 53 E HA 0.313 4.665 4.350 0.002 0.000 0.267 53 E C 0.619 177.217 176.600 -0.003 0.000 1.076 53 E CA -0.226 56.242 56.400 0.113 0.000 0.870 53 E CB 0.297 30.029 29.700 0.053 0.000 1.093 53 E HN 0.806 nan 8.360 nan 0.000 0.411 54 G N 3.318 112.126 108.800 0.014 0.000 2.483 54 G HA2 0.058 4.019 3.960 0.002 0.000 0.248 54 G HA3 0.058 4.019 3.960 0.002 0.000 0.248 54 G C -0.200 174.676 174.900 -0.040 0.000 1.248 54 G CA -0.206 44.897 45.100 0.005 0.000 0.838 54 G HN 0.526 nan 8.290 nan 0.000 0.566 55 D N -0.381 120.014 120.400 -0.008 0.000 2.904 55 D HA 0.211 4.853 4.640 0.002 0.000 0.290 55 D C 1.393 177.707 176.300 0.023 0.000 1.180 55 D CA -0.805 53.196 54.000 0.003 0.000 1.065 55 D CB 1.347 42.154 40.800 0.011 0.000 1.386 55 D HN 0.249 nan 8.370 nan 0.000 0.599 56 K N 0.242 120.662 120.400 0.033 0.000 2.034 56 K HA -0.203 4.118 4.320 0.002 0.000 0.214 56 K C 1.628 178.256 176.600 0.047 0.000 1.051 56 K CA 1.746 58.060 56.287 0.045 0.000 0.931 56 K CB -0.020 32.502 32.500 0.037 0.000 0.715 56 K HN 0.336 nan 8.250 nan 0.000 0.446 57 E N 0.125 120.344 120.200 0.033 0.000 2.118 57 E HA -0.199 4.152 4.350 0.002 0.000 0.195 57 E C 1.666 178.276 176.600 0.016 0.000 0.992 57 E CA 1.493 57.909 56.400 0.028 0.000 0.804 57 E CB -0.007 29.707 29.700 0.023 0.000 0.741 57 E HN 0.434 nan 8.360 nan 0.000 0.458 58 D N 0.057 120.463 120.400 0.010 0.000 2.194 58 D HA -0.086 4.555 4.640 0.002 0.000 0.204 58 D C 2.094 178.379 176.300 -0.024 0.000 0.964 58 D CA 0.594 54.585 54.000 -0.015 0.000 0.846 58 D CB 0.123 40.922 40.800 -0.001 0.000 0.962 58 D HN 0.057 nan 8.370 nan 0.000 0.490 59 V N 2.091 122.009 119.914 0.006 0.000 2.343 59 V HA -0.212 3.910 4.120 0.002 0.000 0.247 59 V C 1.891 177.981 176.094 -0.006 0.000 1.051 59 V CA 1.708 64.010 62.300 0.004 0.000 1.036 59 V CB -0.390 31.462 31.823 0.048 0.000 0.654 59 V HN 0.020 nan 8.190 nan 0.000 0.451 60 D N -0.068 120.372 120.400 0.067 0.000 2.149 60 D HA -0.159 4.483 4.640 0.002 0.000 0.198 60 D C 2.228 178.539 176.300 0.019 0.000 0.990 60 D CA 1.168 55.240 54.000 0.120 0.000 0.839 60 D CB -0.196 40.687 40.800 0.139 0.000 0.948 60 D HN 0.412 nan 8.370 nan 0.000 0.460 61 K N 0.342 120.725 120.400 -0.028 0.000 2.057 61 K HA 0.000 4.322 4.320 0.002 0.000 0.206 61 K C 2.089 178.619 176.600 -0.117 0.000 1.050 61 K CA 1.072 57.312 56.287 -0.078 0.000 0.935 61 K CB -0.022 32.402 32.500 -0.127 0.000 0.715 61 K HN 0.030 nan 8.250 nan 0.000 0.439 62 A N 0.754 123.499 122.820 -0.125 0.000 1.930 62 A HA -0.083 4.238 4.320 0.002 0.000 0.217 62 A C 2.268 179.772 177.584 -0.134 0.000 1.175 62 A CA 1.103 53.058 52.037 -0.138 0.000 0.627 62 A CB -0.413 18.519 19.000 -0.113 0.000 0.815 62 A HN 0.064 nan 8.150 nan 0.000 0.443 63 V N 0.207 120.022 119.914 -0.165 0.000 2.427 63 V HA -0.237 3.884 4.120 0.002 0.000 0.248 63 V C 2.397 178.421 176.094 -0.117 0.000 1.051 63 V CA 2.220 64.386 62.300 -0.224 0.000 1.048 63 V CB -0.598 30.896 31.823 -0.549 0.000 0.666 63 V HN 0.528 nan 8.190 nan 0.000 0.456 64 K N 0.243 120.603 120.400 -0.067 0.000 2.097 64 K HA -0.077 4.245 4.320 0.002 0.000 0.205 64 K C 2.324 178.909 176.600 -0.025 0.000 1.050 64 K CA 1.343 57.619 56.287 -0.019 0.000 0.938 64 K CB -0.366 32.133 32.500 -0.001 0.000 0.718 64 K HN 0.465 nan 8.250 nan 0.000 0.442 65 A N 1.727 124.512 122.820 -0.058 0.000 1.877 65 A HA -0.140 4.181 4.320 0.002 0.000 0.216 65 A C 2.404 179.963 177.584 -0.041 0.000 1.186 65 A CA 1.917 53.916 52.037 -0.064 0.000 0.620 65 A CB -0.718 18.212 19.000 -0.117 0.000 0.822 65 A HN 0.327 nan 8.150 nan 0.000 0.443 66 A N -0.266 122.522 122.820 -0.054 0.000 1.877 66 A HA -0.170 4.151 4.320 0.002 0.000 0.216 66 A C 2.191 179.803 177.584 0.047 0.000 1.186 66 A CA 2.249 54.268 52.037 -0.031 0.000 0.620 66 A CB -0.491 18.464 19.000 -0.074 0.000 0.822 66 A HN 0.454 nan 8.150 nan 0.000 0.443 67 R N 0.272 120.795 120.500 0.038 0.000 2.083 67 R HA -0.081 4.260 4.340 0.002 0.000 0.237 67 R C 2.149 178.540 176.300 0.152 0.000 1.137 67 R CA 2.117 58.281 56.100 0.107 0.000 0.951 67 R CB -1.032 29.310 30.300 0.069 0.000 0.851 67 R HN 0.412 nan 8.270 nan 0.000 0.434 68 A N 0.155 123.030 122.820 0.092 0.000 1.902 68 A HA -0.033 4.288 4.320 0.002 0.000 0.217 68 A C 2.332 179.984 177.584 0.114 0.000 1.181 68 A CA 1.824 53.911 52.037 0.084 0.000 0.623 68 A CB -1.076 17.950 19.000 0.044 0.000 0.818 68 A HN 0.481 nan 8.150 nan 0.000 0.443 69 A N -2.301 120.592 122.820 0.123 0.000 2.121 69 A HA 0.054 4.375 4.320 0.002 0.000 0.218 69 A C 1.727 179.488 177.584 0.296 0.000 1.154 69 A CA 1.329 53.460 52.037 0.158 0.000 0.679 69 A CB -0.543 18.507 19.000 0.082 0.000 0.795 69 A HN 0.612 nan 8.150 nan 0.000 0.458 70 F N 0.003 120.032 119.950 0.132 0.000 2.749 70 F HA 0.221 4.749 4.527 0.002 0.000 0.300 70 F C 0.639 176.510 175.800 0.119 0.000 1.103 70 F CA -0.315 57.786 58.000 0.169 0.000 1.342 70 F CB 0.178 39.264 39.000 0.143 0.000 1.098 70 F HN 0.075 nan 8.300 nan 0.000 0.586 71 Q N 1.768 121.614 119.800 0.076 0.000 2.315 71 Q HA 0.004 4.345 4.340 0.002 0.000 0.289 71 Q C -0.161 175.784 176.000 -0.092 0.000 1.044 71 Q CA -0.037 55.763 55.803 -0.005 0.000 0.920 71 Q CB 0.525 29.285 28.738 0.038 0.000 1.214 71 Q HN 0.225 nan 8.270 nan 0.000 0.392 72 L N 1.907 123.060 121.223 -0.117 0.000 2.640 72 L HA 0.053 4.395 4.340 0.002 0.000 0.280 72 L C 1.307 178.142 176.870 -0.058 0.000 1.229 72 L CA 2.322 57.095 54.840 -0.112 0.000 0.919 72 L CB -0.063 41.950 42.059 -0.076 0.000 1.168 72 L HN 0.933 nan 8.230 nan 0.000 0.496 73 G N 1.888 110.655 108.800 -0.056 0.000 2.175 73 G HA2 -0.265 3.697 3.960 0.002 0.000 0.244 73 G HA3 -0.265 3.697 3.960 0.002 0.000 0.244 73 G C 0.345 175.241 174.900 -0.005 0.000 0.982 73 G CA 0.338 45.422 45.100 -0.026 0.000 0.641 73 G HN 1.107 nan 8.290 nan 0.000 0.527 74 S N 0.435 116.137 115.700 0.003 0.000 2.600 74 S HA 0.591 5.062 4.470 0.002 0.000 0.265 74 S C -0.623 174.022 174.600 0.074 0.000 1.325 74 S CA -0.288 57.942 58.200 0.050 0.000 1.002 74 S CB 1.955 65.208 63.200 0.087 0.000 0.921 74 S HN -0.008 nan 8.310 nan 0.000 0.554 75 P HA -0.091 nan 4.420 nan 0.000 0.215 75 P C 1.269 178.698 177.300 0.215 0.000 1.153 75 P CA 1.144 64.322 63.100 0.129 0.000 0.853 75 P CB -0.109 31.672 31.700 0.136 0.000 0.788 76 W N 0.327 121.653 121.300 0.044 0.000 2.381 76 W HA -0.152 4.510 4.660 0.002 0.000 0.301 76 W C 1.788 178.334 176.519 0.045 0.000 1.205 76 W CA 0.638 58.027 57.345 0.073 0.000 1.285 76 W CB -0.094 29.440 29.460 0.122 0.000 1.133 76 W HN -0.158 nan 8.180 nan 0.000 0.521 77 R N 0.392 120.898 120.500 0.011 0.000 2.092 77 R HA -0.082 4.259 4.340 0.002 0.000 0.231 77 R C 2.040 178.256 176.300 -0.140 0.000 1.119 77 R CA 1.203 57.208 56.100 -0.158 0.000 0.970 77 R CB -0.830 29.366 30.300 -0.175 0.000 0.864 77 R HN 0.323 nan 8.270 nan 0.000 0.440 78 R N -0.104 120.353 120.500 -0.072 0.000 2.246 78 R HA 0.165 4.506 4.340 0.002 0.000 0.199 78 R C 1.125 177.383 176.300 -0.071 0.000 0.984 78 R CA -0.218 55.845 56.100 -0.063 0.000 1.015 78 R CB -0.055 30.225 30.300 -0.034 0.000 0.930 78 R HN 0.132 nan 8.270 nan 0.000 0.475 79 M N 2.265 121.819 119.600 -0.077 0.000 2.251 79 M HA -0.050 4.431 4.480 0.002 0.000 0.343 79 M C -0.754 175.494 176.300 -0.087 0.000 1.245 79 M CA 0.402 55.663 55.300 -0.065 0.000 1.061 79 M CB 0.538 33.122 32.600 -0.026 0.000 1.723 79 M HN -0.089 nan 8.290 nan 0.000 0.449 80 D N 4.091 124.467 120.400 -0.042 0.000 2.488 80 D HA 0.085 4.726 4.640 0.002 0.000 0.238 80 D C 0.843 177.133 176.300 -0.015 0.000 1.138 80 D CA 0.594 54.582 54.000 -0.020 0.000 0.873 80 D CB 1.107 41.911 40.800 0.007 0.000 1.183 80 D HN 0.759 nan 8.370 nan 0.000 0.458 81 A N 2.472 125.274 122.820 -0.031 0.000 1.940 81 A HA -0.216 4.105 4.320 0.002 0.000 0.219 81 A C 2.129 179.718 177.584 0.009 0.000 1.176 81 A CA 2.136 54.155 52.037 -0.031 0.000 0.631 81 A CB -0.623 18.376 19.000 -0.000 0.000 0.814 81 A HN 0.601 nan 8.150 nan 0.000 0.446 82 S N -1.030 114.688 115.700 0.031 0.000 2.400 82 S HA -0.273 4.199 4.470 0.002 0.000 0.232 82 S C 1.853 176.485 174.600 0.054 0.000 1.025 82 S CA 1.697 59.921 58.200 0.039 0.000 0.993 82 S CB -0.715 62.509 63.200 0.040 0.000 0.808 82 S HN 0.748 nan 8.310 nan 0.000 0.478 83 H N 1.752 120.804 119.070 -0.031 0.000 2.395 83 H HA 0.204 4.762 4.556 0.002 0.000 0.299 83 H C 2.333 177.642 175.328 -0.032 0.000 1.070 83 H CA 1.516 57.544 56.048 -0.033 0.000 1.356 83 H CB -0.111 29.628 29.762 -0.039 0.000 1.401 83 H HN 0.341 nan 8.280 nan 0.000 0.524 84 R N -0.586 119.889 120.500 -0.042 0.000 2.103 84 R HA -0.131 4.210 4.340 0.002 0.000 0.242 84 R C 2.543 178.848 176.300 0.008 0.000 1.142 84 R CA 1.233 57.317 56.100 -0.027 0.000 0.960 84 R CB -0.730 29.529 30.300 -0.069 0.000 0.858 84 R HN 0.454 nan 8.270 nan 0.000 0.439 85 G N 1.090 109.894 108.800 0.007 0.000 2.418 85 G HA2 -0.248 3.713 3.960 0.002 0.000 0.217 85 G HA3 -0.248 3.713 3.960 0.002 0.000 0.217 85 G C 1.467 176.356 174.900 -0.020 0.000 1.158 85 G CA 0.247 45.364 45.100 0.027 0.000 0.771 85 G HN 0.138 nan 8.290 nan 0.000 0.545 86 R N 0.106 120.543 120.500 -0.106 0.000 2.083 86 R HA 0.045 4.386 4.340 0.002 0.000 0.237 86 R C 2.682 178.874 176.300 -0.181 0.000 1.137 86 R CA 0.717 56.728 56.100 -0.149 0.000 0.951 86 R CB -1.018 29.149 30.300 -0.222 0.000 0.851 86 R HN 0.400 nan 8.270 nan 0.000 0.434 87 L N 0.566 121.597 121.223 -0.320 0.000 2.042 87 L HA -0.198 4.143 4.340 0.002 0.000 0.210 87 L C 2.553 179.432 176.870 0.015 0.000 1.076 87 L CA 1.204 55.828 54.840 -0.360 0.000 0.749 87 L CB -0.524 41.010 42.059 -0.875 0.000 0.893 87 L HN 0.149 nan 8.230 nan 0.000 0.432 88 L N -0.418 120.906 121.223 0.169 0.000 2.046 88 L HA -0.225 4.116 4.340 0.002 0.000 0.208 88 L C 2.414 179.392 176.870 0.178 0.000 1.077 88 L CA 1.114 56.129 54.840 0.291 0.000 0.747 88 L CB -0.591 41.626 42.059 0.263 0.000 0.896 88 L HN 0.356 nan 8.230 nan 0.000 0.432 89 N N -0.146 118.614 118.700 0.101 0.000 2.188 89 N HA -0.196 4.546 4.740 0.002 0.000 0.184 89 N C 1.953 177.506 175.510 0.073 0.000 1.018 89 N CA 0.966 54.062 53.050 0.076 0.000 0.858 89 N CB -0.208 38.303 38.487 0.041 0.000 0.989 89 N HN 0.179 nan 8.380 nan 0.000 0.426 90 R N 1.421 121.958 120.500 0.061 0.000 2.066 90 R HA -0.016 4.325 4.340 0.002 0.000 0.232 90 R C 2.076 178.439 176.300 0.105 0.000 1.131 90 R CA 0.827 56.965 56.100 0.062 0.000 0.955 90 R CB -1.056 29.259 30.300 0.025 0.000 0.851 90 R HN 0.179 nan 8.270 nan 0.000 0.432 91 L N 0.473 121.798 121.223 0.169 0.000 2.042 91 L HA -0.039 4.302 4.340 0.002 0.000 0.210 91 L C 2.105 179.047 176.870 0.120 0.000 1.076 91 L CA 2.353 57.296 54.840 0.173 0.000 0.749 91 L CB -1.116 41.086 42.059 0.238 0.000 0.893 91 L HN 0.277 nan 8.230 nan 0.000 0.432 92 A N -0.787 122.105 122.820 0.120 0.000 1.883 92 A HA -0.236 4.085 4.320 0.002 0.000 0.217 92 A C 2.034 179.671 177.584 0.087 0.000 1.186 92 A CA 1.916 54.014 52.037 0.102 0.000 0.624 92 A CB -0.936 18.125 19.000 0.102 0.000 0.822 92 A HN 0.550 nan 8.150 nan 0.000 0.444 93 D N -0.043 120.405 120.400 0.081 0.000 2.149 93 D HA -0.113 4.528 4.640 0.002 0.000 0.198 93 D C 1.924 178.270 176.300 0.078 0.000 0.990 93 D CA 1.007 55.050 54.000 0.071 0.000 0.839 93 D CB -0.266 40.570 40.800 0.061 0.000 0.948 93 D HN 0.480 nan 8.370 nan 0.000 0.460 94 L N 0.209 121.481 121.223 0.083 0.000 2.072 94 L HA -0.058 4.284 4.340 0.002 0.000 0.205 94 L C 2.496 179.433 176.870 0.112 0.000 1.079 94 L CA 0.565 55.456 54.840 0.086 0.000 0.752 94 L CB -0.208 41.894 42.059 0.072 0.000 0.906 94 L HN -0.002 nan 8.230 nan 0.000 0.436 95 I N -0.101 120.537 120.570 0.113 0.000 2.361 95 I HA -0.281 3.891 4.170 0.002 0.000 0.251 95 I C 2.566 178.757 176.117 0.123 0.000 1.133 95 I CA 1.253 62.634 61.300 0.135 0.000 1.413 95 I CB -0.149 37.919 38.000 0.113 0.000 1.073 95 I HN 0.343 nan 8.210 nan 0.000 0.424 96 E N 1.238 121.495 120.200 0.096 0.000 2.106 96 E HA -0.247 4.105 4.350 0.002 0.000 0.192 96 E C 2.394 179.057 176.600 0.105 0.000 0.984 96 E CA 0.793 57.241 56.400 0.080 0.000 0.806 96 E CB -0.009 29.730 29.700 0.065 0.000 0.750 96 E HN 0.238 nan 8.360 nan 0.000 0.458 97 R N 0.365 120.930 120.500 0.109 0.000 2.096 97 R HA -0.153 4.188 4.340 0.002 0.000 0.240 97 R C 0.416 176.805 176.300 0.149 0.000 1.139 97 R CA 1.875 58.043 56.100 0.114 0.000 0.952 97 R CB -0.065 30.293 30.300 0.096 0.000 0.854 97 R HN 0.140 nan 8.270 nan 0.000 0.436 98 D N -0.317 120.195 120.400 0.186 0.000 2.460 98 D HA 0.034 4.676 4.640 0.002 0.000 0.229 98 D C 1.066 177.535 176.300 0.282 0.000 1.170 98 D CA 0.016 54.169 54.000 0.254 0.000 0.827 98 D CB 0.238 41.251 40.800 0.356 0.000 0.973 98 D HN 0.228 nan 8.370 nan 0.000 0.496 99 R N 0.341 120.976 120.500 0.226 0.000 2.066 99 R HA -0.128 4.214 4.340 0.002 0.000 0.232 99 R C 1.972 178.455 176.300 0.305 0.000 1.131 99 R CA 1.887 58.101 56.100 0.191 0.000 0.955 99 R CB -0.066 30.288 30.300 0.088 0.000 0.851 99 R HN 0.213 nan 8.270 nan 0.000 0.432 100 T N -1.886 112.914 114.554 0.411 0.000 2.867 100 T HA -0.201 4.150 4.350 0.002 0.000 0.268 100 T C 1.818 176.750 174.700 0.388 0.000 1.057 100 T CA 1.188 63.581 62.100 0.489 0.000 1.136 100 T CB -0.606 68.495 68.868 0.389 0.000 0.874 100 T HN 0.426 nan 8.240 nan 0.000 0.466 101 Y N 1.987 122.403 120.300 0.193 0.000 2.145 101 Y HA 0.101 4.653 4.550 0.002 0.000 0.286 101 Y C 2.074 178.021 175.900 0.079 0.000 1.145 101 Y CA 1.070 59.230 58.100 0.100 0.000 1.148 101 Y CB -0.456 38.018 38.460 0.024 0.000 0.981 101 Y HN 0.147 nan 8.280 nan 0.000 0.507 102 L N -0.236 121.034 121.223 0.078 0.000 2.141 102 L HA -0.153 4.188 4.340 0.002 0.000 0.209 102 L C 2.761 179.635 176.870 0.006 0.000 1.094 102 L CA 0.964 55.796 54.840 -0.013 0.000 0.763 102 L CB -0.840 41.319 42.059 0.167 0.000 0.908 102 L HN 0.364 nan 8.230 nan 0.000 0.437 103 A N 0.055 122.955 122.820 0.134 0.000 1.877 103 A HA -0.161 4.161 4.320 0.002 0.000 0.216 103 A C 2.517 180.269 177.584 0.281 0.000 1.186 103 A CA 1.743 53.891 52.037 0.186 0.000 0.620 103 A CB -0.671 18.490 19.000 0.268 0.000 0.822 103 A HN 0.384 nan 8.150 nan 0.000 0.443 104 A N -0.711 122.316 122.820 0.346 0.000 1.898 104 A HA 0.034 4.356 4.320 0.002 0.000 0.216 104 A C 2.095 179.762 177.584 0.138 0.000 1.181 104 A CA 1.626 53.870 52.037 0.346 0.000 0.620 104 A CB -0.576 18.531 19.000 0.179 0.000 0.819 104 A HN 0.658 nan 8.150 nan 0.000 0.442 105 L N -0.030 121.102 121.223 -0.151 0.000 2.131 105 L HA -0.100 4.242 4.340 0.002 0.000 0.210 105 L C 2.123 178.945 176.870 -0.080 0.000 1.092 105 L CA 2.587 57.300 54.840 -0.212 0.000 0.759 105 L CB -0.665 41.098 42.059 -0.493 0.000 0.903 105 L HN 0.505 nan 8.230 nan 0.000 0.435 106 E N -0.915 119.254 120.200 -0.051 0.000 2.031 106 E HA -0.193 4.158 4.350 0.002 0.000 0.193 106 E C 2.069 178.634 176.600 -0.058 0.000 0.994 106 E CA 2.067 58.447 56.400 -0.034 0.000 0.800 106 E CB -0.415 29.272 29.700 -0.021 0.000 0.752 106 E HN 0.454 nan 8.360 nan 0.000 0.447 107 T N 0.667 115.172 114.554 -0.082 0.000 2.759 107 T HA -0.165 4.187 4.350 0.002 0.000 0.269 107 T C 1.713 176.318 174.700 -0.158 0.000 1.042 107 T CA 1.249 63.216 62.100 -0.223 0.000 1.140 107 T CB -0.332 68.214 68.868 -0.538 0.000 0.864 107 T HN 0.103 nan 8.240 nan 0.000 0.455 108 L N 0.817 122.049 121.223 0.014 0.000 2.093 108 L HA -0.032 4.310 4.340 0.002 0.000 0.208 108 L C 1.996 178.877 176.870 0.018 0.000 1.085 108 L CA 1.751 56.658 54.840 0.111 0.000 0.755 108 L CB -0.207 41.932 42.059 0.135 0.000 0.904 108 L HN 0.080 nan 8.230 nan 0.000 0.435 109 D N -1.921 118.473 120.400 -0.011 0.000 2.338 109 D HA -0.109 4.532 4.640 0.002 0.000 0.208 109 D C 1.816 178.101 176.300 -0.025 0.000 0.997 109 D CA 0.556 54.550 54.000 -0.010 0.000 0.880 109 D CB 0.112 40.913 40.800 0.002 0.000 0.980 109 D HN 0.352 nan 8.370 nan 0.000 0.509 110 N N -0.649 118.024 118.700 -0.045 0.000 2.499 110 N HA 0.011 4.753 4.740 0.002 0.000 0.182 110 N C 1.350 176.794 175.510 -0.111 0.000 1.034 110 N CA 1.609 54.623 53.050 -0.060 0.000 0.882 110 N CB 0.915 39.371 38.487 -0.051 0.000 1.125 110 N HN 0.242 nan 8.380 nan 0.000 0.436 111 G N 1.363 110.079 108.800 -0.140 0.000 2.253 111 G HA2 -0.230 3.731 3.960 0.002 0.000 0.209 111 G HA3 -0.230 3.731 3.960 0.002 0.000 0.209 111 G C -0.148 174.632 174.900 -0.201 0.000 0.997 111 G CA 0.273 45.268 45.100 -0.176 0.000 0.640 111 G HN 0.658 nan 8.290 nan 0.000 0.496 112 K N 1.131 121.406 120.400 -0.210 0.000 2.355 112 K HA 0.493 4.815 4.320 0.002 0.000 0.270 112 K C -2.690 173.781 176.600 -0.215 0.000 1.003 112 K CA -1.348 54.801 56.287 -0.230 0.000 0.957 112 K CB 0.601 32.934 32.500 -0.277 0.000 0.939 112 K HN 0.058 nan 8.250 nan 0.000 0.482 113 P HA -0.127 nan 4.420 nan 0.000 0.264 113 P C -0.335 176.894 177.300 -0.118 0.000 1.183 113 P CA 0.027 63.048 63.100 -0.132 0.000 0.763 113 P CB 0.129 31.786 31.700 -0.070 0.000 0.807 114 Y N 4.525 124.662 120.300 -0.272 0.000 2.256 114 Y HA -0.235 4.317 4.550 0.003 0.000 0.288 114 Y C 1.768 177.664 175.900 -0.007 0.000 1.155 114 Y CA 1.679 59.669 58.100 -0.183 0.000 1.203 114 Y CB -0.718 37.629 38.460 -0.188 0.000 0.980 114 Y HN 0.078 nan 8.280 nan 0.000 0.530 115 V N 0.216 120.079 119.914 -0.085 0.000 2.407 115 V HA -0.303 3.818 4.120 0.002 0.000 0.248 115 V C 2.290 178.348 176.094 -0.059 0.000 1.055 115 V CA 1.639 63.874 62.300 -0.108 0.000 1.049 115 V CB -0.565 31.268 31.823 0.017 0.000 0.662 115 V HN 0.427 nan 8.190 nan 0.000 0.455 116 I N -0.559 119.990 120.570 -0.035 0.000 2.333 116 I HA -0.117 4.055 4.170 0.002 0.000 0.246 116 I C 2.653 178.770 176.117 0.000 0.000 1.106 116 I CA 1.462 62.777 61.300 0.024 0.000 1.411 116 I CB -1.345 36.655 38.000 -0.000 0.000 1.082 116 I HN 0.285 nan 8.210 nan 0.000 0.420 117 S N 0.023 115.679 115.700 -0.073 0.000 2.374 117 S HA -0.267 4.204 4.470 0.002 0.000 0.227 117 S C 2.172 176.733 174.600 -0.065 0.000 1.037 117 S CA 1.616 59.778 58.200 -0.064 0.000 1.024 117 S CB -0.388 62.767 63.200 -0.074 0.000 0.861 117 S HN 0.464 nan 8.310 nan 0.000 0.456 118 Y N 1.272 121.399 120.300 -0.289 0.000 2.130 118 Y HA 0.073 4.624 4.550 0.002 0.000 0.287 118 Y C 1.964 177.800 175.900 -0.107 0.000 1.124 118 Y CA 1.661 59.604 58.100 -0.260 0.000 1.118 118 Y CB -0.241 37.914 38.460 -0.509 0.000 0.994 118 Y HN 0.192 nan 8.280 nan 0.000 0.497 119 L N -1.207 120.071 121.223 0.093 0.000 2.313 119 L HA -0.078 4.263 4.340 0.002 0.000 0.214 119 L C 1.599 178.495 176.870 0.042 0.000 1.119 119 L CA 0.352 55.243 54.840 0.084 0.000 0.809 119 L CB -0.143 42.002 42.059 0.144 0.000 0.933 119 L HN 0.193 nan 8.230 nan 0.000 0.449 120 V N -1.088 118.864 119.914 0.063 0.000 2.868 120 V HA -0.042 4.079 4.120 0.002 0.000 0.227 120 V C 1.627 177.763 176.094 0.070 0.000 1.136 120 V CA 0.815 63.180 62.300 0.108 0.000 1.206 120 V CB -0.308 31.662 31.823 0.245 0.000 0.997 120 V HN 0.161 nan 8.190 nan 0.000 0.505 121 D N 0.798 121.248 120.400 0.083 0.000 2.106 121 D HA -0.204 4.437 4.640 0.002 0.000 0.191 121 D C 1.921 178.227 176.300 0.009 0.000 0.997 121 D CA 1.586 55.623 54.000 0.063 0.000 0.834 121 D CB -0.252 40.591 40.800 0.072 0.000 0.956 121 D HN 0.199 nan 8.370 nan 0.000 0.448 122 L N 0.111 121.310 121.223 -0.040 0.000 2.156 122 L HA -0.075 4.267 4.340 0.002 0.000 0.208 122 L C 1.804 178.633 176.870 -0.067 0.000 1.095 122 L CA 1.170 55.971 54.840 -0.065 0.000 0.770 122 L CB -0.274 41.707 42.059 -0.130 0.000 0.914 122 L HN -0.036 nan 8.230 nan 0.000 0.439 123 D N -0.543 119.803 120.400 -0.090 0.000 2.123 123 D HA -0.232 4.409 4.640 0.002 0.000 0.196 123 D C 2.221 178.532 176.300 0.019 0.000 0.992 123 D CA 1.531 55.505 54.000 -0.044 0.000 0.833 123 D CB 0.059 40.839 40.800 -0.033 0.000 0.954 123 D HN 0.223 nan 8.370 nan 0.000 0.455 124 M N -0.766 118.856 119.600 0.037 0.000 2.319 124 M HA -0.070 4.411 4.480 0.002 0.000 0.265 124 M C 2.091 178.464 176.300 0.120 0.000 1.068 124 M CA 0.406 55.755 55.300 0.082 0.000 1.118 124 M CB 0.223 32.864 32.600 0.069 0.000 1.395 124 M HN -0.029 nan 8.290 nan 0.000 0.435 125 V N 0.905 120.870 119.914 0.085 0.000 2.307 125 V HA -0.247 3.875 4.120 0.002 0.000 0.245 125 V C 2.288 178.452 176.094 0.118 0.000 1.045 125 V CA 1.596 63.961 62.300 0.108 0.000 1.024 125 V CB -0.588 31.277 31.823 0.070 0.000 0.651 125 V HN 0.447 nan 8.190 nan 0.000 0.449 126 L N -0.478 120.794 121.223 0.082 0.000 2.012 126 L HA -0.231 4.111 4.340 0.002 0.000 0.210 126 L C 2.598 179.531 176.870 0.104 0.000 1.073 126 L CA 1.848 56.737 54.840 0.082 0.000 0.748 126 L CB -0.637 41.450 42.059 0.047 0.000 0.891 126 L HN 0.284 nan 8.230 nan 0.000 0.431 127 K N -0.990 119.469 120.400 0.100 0.000 2.148 127 K HA -0.177 4.144 4.320 0.002 0.000 0.204 127 K C 2.274 178.963 176.600 0.147 0.000 1.050 127 K CA 1.413 57.763 56.287 0.105 0.000 0.942 127 K CB -0.341 32.206 32.500 0.078 0.000 0.724 127 K HN 0.402 nan 8.250 nan 0.000 0.446 128 C N 1.030 120.441 119.300 0.184 0.000 2.476 128 C HA 0.004 4.466 4.460 0.002 0.000 0.278 128 C C 2.407 177.601 174.990 0.340 0.000 1.274 128 C CA 0.394 59.567 59.018 0.258 0.000 1.713 128 C CB -0.855 27.091 27.740 0.344 0.000 2.039 128 C HN 0.382 nan 8.230 nan 0.000 0.484 129 L N 0.441 121.827 121.223 0.271 0.000 2.046 129 L HA -0.108 4.233 4.340 0.002 0.000 0.208 129 L C 3.022 180.028 176.870 0.226 0.000 1.077 129 L CA 1.717 56.710 54.840 0.255 0.000 0.747 129 L CB -0.698 41.472 42.059 0.184 0.000 0.896 129 L HN 0.333 nan 8.230 nan 0.000 0.432 130 R N -1.270 119.335 120.500 0.176 0.000 2.092 130 R HA -0.202 4.139 4.340 0.002 0.000 0.231 130 R C 2.281 178.648 176.300 0.111 0.000 1.119 130 R CA 1.527 57.703 56.100 0.127 0.000 0.970 130 R CB -0.508 29.851 30.300 0.098 0.000 0.864 130 R HN 0.266 nan 8.270 nan 0.000 0.440 131 Y N 0.322 120.625 120.300 0.005 0.000 2.097 131 Y HA -0.302 4.249 4.550 0.002 0.000 0.282 131 Y C 1.719 177.570 175.900 -0.081 0.000 1.152 131 Y CA 1.610 59.650 58.100 -0.101 0.000 1.136 131 Y CB -0.480 37.867 38.460 -0.188 0.000 0.975 131 Y HN 0.014 nan 8.280 nan 0.000 0.498 132 Y N -0.367 120.028 120.300 0.159 0.000 2.373 132 Y HA -0.107 4.444 4.550 0.003 0.000 0.293 132 Y C 2.588 178.531 175.900 0.072 0.000 1.129 132 Y CA 0.619 58.793 58.100 0.122 0.000 1.226 132 Y CB -0.571 38.000 38.460 0.185 0.000 1.000 132 Y HN 0.282 nan 8.280 nan 0.000 0.549 133 A N 0.332 123.262 122.820 0.183 0.000 1.917 133 A HA -0.232 4.090 4.320 0.002 0.000 0.219 133 A C 2.521 180.124 177.584 0.030 0.000 1.182 133 A CA 2.000 54.106 52.037 0.114 0.000 0.633 133 A CB -1.498 17.554 19.000 0.087 0.000 0.819 133 A HN 0.481 nan 8.150 nan 0.000 0.448 134 G N -2.576 106.170 108.800 -0.090 0.000 2.443 134 G HA2 -0.207 3.755 3.960 0.002 0.000 0.219 134 G HA3 -0.207 3.755 3.960 0.002 0.000 0.219 134 G C 1.321 176.083 174.900 -0.231 0.000 1.131 134 G CA 0.707 45.681 45.100 -0.211 0.000 0.775 134 G HN 0.691 nan 8.290 nan 0.000 0.547 135 W N 0.621 121.820 121.300 -0.168 0.000 2.678 135 W HA 0.313 4.974 4.660 0.002 0.000 0.256 135 W C 2.713 179.213 176.519 -0.032 0.000 1.280 135 W CA 0.120 57.395 57.345 -0.117 0.000 1.345 135 W CB 0.337 29.738 29.460 -0.099 0.000 1.118 135 W HN 0.250 nan 8.180 nan 0.000 0.629 136 A N 1.096 124.042 122.820 0.210 0.000 1.917 136 A HA -0.275 4.046 4.320 0.002 0.000 0.219 136 A C 1.348 179.005 177.584 0.123 0.000 1.182 136 A CA 2.321 54.448 52.037 0.149 0.000 0.633 136 A CB -0.788 18.270 19.000 0.097 0.000 0.819 136 A HN 0.347 nan 8.150 nan 0.000 0.448 137 D N -2.220 118.237 120.400 0.094 0.000 2.559 137 D HA 0.213 4.855 4.640 0.002 0.000 0.234 137 D C 0.502 176.835 176.300 0.054 0.000 1.226 137 D CA -0.017 54.026 54.000 0.071 0.000 0.830 137 D CB 0.087 40.915 40.800 0.046 0.000 1.028 137 D HN 0.459 nan 8.370 nan 0.000 0.492 138 K N -0.697 119.751 120.400 0.080 0.000 2.517 138 K HA 0.054 4.375 4.320 0.002 0.000 0.210 138 K C -0.480 176.053 176.600 -0.112 0.000 1.166 138 K CA -0.465 55.775 56.287 -0.079 0.000 1.030 138 K CB 0.790 33.272 32.500 -0.029 0.000 0.974 138 K HN -0.029 nan 8.250 nan 0.000 0.585 139 Y N 2.893 123.166 120.300 -0.046 0.000 2.736 139 Y HA 0.151 4.702 4.550 0.002 0.000 0.339 139 Y C -0.492 175.410 175.900 0.004 0.000 1.301 139 Y CA -1.219 56.875 58.100 -0.009 0.000 1.676 139 Y CB -1.023 37.454 38.460 0.029 0.000 1.725 139 Y HN 0.077 nan 8.280 nan 0.000 0.466 140 H N 0.689 119.760 119.070 0.002 0.000 2.897 140 H HA 0.274 4.831 4.556 0.002 0.000 0.347 140 H C 1.046 176.049 175.328 -0.542 0.000 1.068 140 H CA 0.460 56.411 56.048 -0.162 0.000 1.426 140 H CB 0.772 30.482 29.762 -0.087 0.000 1.410 140 H HN 0.718 nan 8.280 nan 0.000 0.597 141 G N 1.570 110.042 108.800 -0.547 0.000 2.508 141 G HA2 0.336 4.297 3.960 0.002 0.000 0.278 141 G HA3 0.336 4.297 3.960 0.002 0.000 0.278 141 G C -0.612 174.102 174.900 -0.309 0.000 1.389 141 G CA -0.789 43.800 45.100 -0.852 0.000 1.050 141 G HN 0.546 nan 8.290 nan 0.000 0.522 142 K N -0.541 119.755 120.400 -0.173 0.000 2.375 142 K HA 0.496 4.817 4.320 0.002 0.000 0.249 142 K C -0.695 175.916 176.600 0.019 0.000 0.942 142 K CA -0.623 55.629 56.287 -0.058 0.000 0.806 142 K CB 2.088 34.566 32.500 -0.035 0.000 1.227 142 K HN 0.612 nan 8.250 nan 0.000 0.430 143 T N -0.594 113.985 114.554 0.042 0.000 2.795 143 T HA 0.608 4.960 4.350 0.002 0.000 0.282 143 T C 0.019 174.769 174.700 0.083 0.000 0.980 143 T CA -0.713 61.453 62.100 0.111 0.000 1.012 143 T CB 0.178 69.158 68.868 0.187 0.000 0.936 143 T HN 0.390 nan 8.240 nan 0.000 0.457 144 I N 4.759 125.377 120.570 0.080 0.000 2.418 144 I HA 0.332 4.503 4.170 0.002 0.000 0.287 144 I C -2.026 174.136 176.117 0.074 0.000 1.008 144 I CA -2.803 58.526 61.300 0.049 0.000 1.104 144 I CB 2.676 40.679 38.000 0.005 0.000 1.264 144 I HN 0.487 nan 8.210 nan 0.000 0.438 145 P HA 0.132 nan 4.420 nan 0.000 0.232 145 P C 0.166 177.507 177.300 0.068 0.000 1.738 145 P CA 0.098 63.243 63.100 0.076 0.000 0.948 145 P CB -0.056 31.677 31.700 0.055 0.000 1.943 146 I N 0.878 121.492 120.570 0.073 0.000 2.948 146 I HA -0.036 4.135 4.170 0.002 0.000 0.290 146 I C 0.318 176.495 176.117 0.101 0.000 1.226 146 I CA 0.065 61.402 61.300 0.061 0.000 1.413 146 I CB 0.528 38.549 38.000 0.036 0.000 1.352 146 I HN 0.013 nan 8.210 nan 0.000 0.597 147 D N 4.976 125.425 120.400 0.082 0.000 2.472 147 D HA 0.406 5.048 4.640 0.002 0.000 0.237 147 D C 0.359 176.791 176.300 0.219 0.000 1.141 147 D CA 1.448 55.513 54.000 0.108 0.000 0.875 147 D CB 0.696 41.540 40.800 0.073 0.000 1.192 147 D HN 0.934 nan 8.370 nan 0.000 0.450 148 G N 2.050 110.971 108.800 0.201 0.000 2.710 148 G HA2 -0.178 3.783 3.960 0.002 0.000 0.668 148 G HA3 -0.178 3.783 3.960 0.002 0.000 0.668 148 G C -0.762 174.192 174.900 0.091 0.000 1.320 148 G CA -0.773 44.472 45.100 0.241 0.000 0.860 148 G HN 0.483 nan 8.290 nan 0.000 0.538 149 D N 0.992 121.219 120.400 -0.288 0.000 2.688 149 D HA 0.479 5.120 4.640 0.002 0.000 0.228 149 D C -0.141 175.702 176.300 -0.762 0.000 1.116 149 D CA 0.873 54.614 54.000 -0.430 0.000 1.023 149 D CB -0.503 40.059 40.800 -0.396 0.000 1.100 149 D HN 0.265 nan 8.370 nan 0.000 0.487 150 F N 0.220 120.211 119.950 0.068 0.000 2.613 150 F HA 0.403 4.931 4.527 0.002 0.000 0.314 150 F C -0.310 175.598 175.800 0.180 0.000 1.075 150 F CA -1.474 56.583 58.000 0.095 0.000 0.945 150 F CB 1.533 40.560 39.000 0.045 0.000 1.310 150 F HN -0.160 nan 8.300 nan 0.000 0.467 151 F N 2.001 122.087 119.950 0.228 0.000 2.402 151 F HA 0.668 5.196 4.527 0.002 0.000 0.355 151 F C -0.524 175.386 175.800 0.183 0.000 1.123 151 F CA -0.946 57.160 58.000 0.177 0.000 1.021 151 F CB 1.109 40.202 39.000 0.155 0.000 1.160 151 F HN 0.275 nan 8.300 nan 0.000 0.451 152 S N 6.761 122.378 115.700 -0.138 0.000 2.502 152 S HA 0.795 5.266 4.470 0.002 0.000 0.304 152 S C -1.415 173.007 174.600 -0.296 0.000 1.097 152 S CA -0.297 57.724 58.200 -0.299 0.000 1.045 152 S CB 0.646 63.764 63.200 -0.137 0.000 1.019 152 S HN 0.709 nan 8.310 nan 0.000 0.481 153 Y N 0.093 120.138 120.300 -0.425 0.000 2.655 153 Y HA 0.787 5.339 4.550 0.002 0.000 0.336 153 Y C -0.581 175.203 175.900 -0.192 0.000 1.154 153 Y CA -1.069 56.853 58.100 -0.297 0.000 1.055 153 Y CB 0.816 39.062 38.460 -0.357 0.000 1.295 153 Y HN 0.533 nan 8.280 nan 0.000 0.465 154 T N -0.396 114.189 114.554 0.052 0.000 2.856 154 T HA 0.666 5.018 4.350 0.002 0.000 0.283 154 T C -0.848 173.910 174.700 0.098 0.000 1.008 154 T CA -1.054 61.049 62.100 0.005 0.000 0.997 154 T CB 1.697 70.569 68.868 0.008 0.000 0.992 154 T HN 0.785 nan 8.240 nan 0.000 0.454 155 R N 1.429 121.992 120.500 0.105 0.000 2.294 155 R HA 0.291 4.633 4.340 0.002 0.000 0.319 155 R C -0.317 176.103 176.300 0.201 0.000 0.984 155 R CA -0.624 55.554 56.100 0.129 0.000 0.861 155 R CB 0.796 31.179 30.300 0.138 0.000 1.104 155 R HN 0.736 nan 8.270 nan 0.000 0.451 156 H N 2.529 121.628 119.070 0.048 0.000 2.872 156 H HA 0.097 4.654 4.556 0.002 0.000 0.273 156 H C -0.209 175.177 175.328 0.097 0.000 1.205 156 H CA -0.295 55.787 56.048 0.057 0.000 1.342 156 H CB 0.756 30.529 29.762 0.020 0.000 1.469 156 H HN 0.396 nan 8.280 nan 0.000 0.487 157 E N 4.075 124.397 120.200 0.203 0.000 2.250 157 E HA 0.234 4.585 4.350 0.002 0.000 0.265 157 E C -2.419 174.298 176.600 0.194 0.000 1.033 157 E CA -2.285 54.218 56.400 0.172 0.000 0.888 157 E CB 0.982 30.769 29.700 0.145 0.000 1.151 157 E HN 0.379 nan 8.360 nan 0.000 0.412 158 P HA -0.053 nan 4.420 nan 0.000 0.275 158 P C 0.551 177.995 177.300 0.239 0.000 1.228 158 P CA -0.026 63.244 63.100 0.282 0.000 0.786 158 P CB 0.768 32.750 31.700 0.469 0.000 0.927 159 V N 2.044 122.036 119.914 0.130 0.000 2.515 159 V HA 0.040 4.161 4.120 0.002 0.000 0.250 159 V C 1.116 177.172 176.094 -0.064 0.000 1.058 159 V CA 2.777 65.107 62.300 0.049 0.000 1.064 159 V CB -1.088 30.744 31.823 0.014 0.000 0.675 159 V HN 0.960 nan 8.190 nan 0.000 0.461 160 G N -0.979 107.651 108.800 -0.284 0.000 2.246 160 G HA2 -0.141 3.821 3.960 0.002 0.000 0.196 160 G HA3 -0.141 3.821 3.960 0.002 0.000 0.196 160 G C -0.414 174.069 174.900 -0.694 0.000 1.180 160 G CA -0.195 44.332 45.100 -0.956 0.000 1.291 160 G HN 0.576 nan 8.290 nan 0.000 0.508 161 V N 1.407 121.056 119.914 -0.441 0.000 2.405 161 V HA 0.406 4.527 4.120 0.002 0.000 0.264 161 V C 0.364 176.387 176.094 -0.118 0.000 1.048 161 V CA -0.160 61.999 62.300 -0.236 0.000 0.966 161 V CB 0.269 31.994 31.823 -0.164 0.000 1.015 161 V HN 0.783 nan 8.190 nan 0.000 0.477 162 C N 4.992 124.256 119.300 -0.060 0.000 2.264 162 C HA 0.659 5.120 4.460 0.002 0.000 0.324 162 C C 1.114 176.119 174.990 0.025 0.000 1.267 162 C CA -0.963 58.074 59.018 0.032 0.000 1.618 162 C CB 0.202 28.043 27.740 0.169 0.000 2.278 162 C HN 0.990 nan 8.230 nan 0.000 0.499 163 G N 3.160 111.976 108.800 0.027 0.000 2.355 163 G HA2 0.497 4.459 3.960 0.002 0.000 0.276 163 G HA3 0.497 4.459 3.960 0.002 0.000 0.276 163 G C -0.743 174.206 174.900 0.082 0.000 1.198 163 G CA -0.104 45.018 45.100 0.037 0.000 0.876 163 G HN 0.815 nan 8.290 nan 0.000 0.478 164 Q N 1.535 121.383 119.800 0.081 0.000 2.310 164 Q HA 0.408 4.749 4.340 0.002 0.000 0.270 164 Q C -0.813 175.243 176.000 0.093 0.000 1.025 164 Q CA -0.429 55.434 55.803 0.100 0.000 0.772 164 Q CB 2.722 31.513 28.738 0.088 0.000 1.253 164 Q HN 0.520 nan 8.270 nan 0.000 0.450 165 I N 4.893 125.532 120.570 0.116 0.000 2.355 165 I HA 0.428 4.600 4.170 0.002 0.000 0.288 165 I C -0.135 175.964 176.117 -0.030 0.000 0.999 165 I CA -0.744 60.623 61.300 0.111 0.000 1.163 165 I CB 0.859 39.041 38.000 0.303 0.000 1.316 165 I HN 0.537 nan 8.210 nan 0.000 0.454 166 I N 5.839 126.393 120.570 -0.027 0.000 2.648 166 I HA 0.766 4.937 4.170 0.002 0.000 0.304 166 I C -2.649 173.409 176.117 -0.098 0.000 1.009 166 I CA -2.169 59.078 61.300 -0.088 0.000 1.114 166 I CB 2.087 40.066 38.000 -0.036 0.000 1.293 166 I HN 0.218 nan 8.210 nan 0.000 0.449 167 P HA 0.210 nan 4.420 nan 0.000 0.297 167 P C -0.213 177.024 177.300 -0.105 0.000 1.307 167 P CA -0.287 62.673 63.100 -0.234 0.000 0.773 167 P CB 0.694 32.147 31.700 -0.411 0.000 1.265 168 W N 0.353 121.653 121.300 -0.001 0.000 3.177 168 W HA 0.073 4.735 4.660 0.003 0.000 0.309 168 W C 0.849 177.336 176.519 -0.054 0.000 1.224 168 W CA 0.177 57.516 57.345 -0.011 0.000 1.718 168 W CB -1.332 28.129 29.460 0.001 0.000 1.078 168 W HN 0.224 nan 8.180 nan 0.000 0.618 169 N N 1.859 120.411 118.700 -0.247 0.000 2.300 169 N HA -0.135 4.606 4.740 0.002 0.000 0.179 169 N C -0.212 174.980 175.510 -0.529 0.000 1.016 169 N CA 0.666 53.536 53.050 -0.300 0.000 0.876 169 N CB -1.039 37.148 38.487 -0.500 0.000 0.979 169 N HN 0.068 nan 8.380 nan 0.000 0.432 170 F N -0.051 119.787 119.950 -0.186 0.000 2.769 170 F HA 0.448 4.977 4.527 0.002 0.000 0.358 170 F C -1.812 173.882 175.800 -0.177 0.000 1.285 170 F CA -2.064 55.809 58.000 -0.210 0.000 1.199 170 F CB 2.182 40.965 39.000 -0.361 0.000 1.558 170 F HN -0.165 nan 8.300 nan 0.000 0.583 171 P HA -0.168 nan 4.420 nan 0.000 0.214 171 P C 1.887 179.196 177.300 0.016 0.000 1.163 171 P CA 1.570 64.689 63.100 0.032 0.000 0.883 171 P CB 0.455 32.187 31.700 0.053 0.000 0.788 172 L N -1.829 119.406 121.223 0.020 0.000 2.044 172 L HA -0.124 4.217 4.340 0.002 0.000 0.205 172 L C 2.409 179.266 176.870 -0.022 0.000 1.075 172 L CA 0.844 55.696 54.840 0.020 0.000 0.747 172 L CB -0.992 41.091 42.059 0.039 0.000 0.903 172 L HN -0.034 nan 8.230 nan 0.000 0.435 173 L N -0.632 120.545 121.223 -0.078 0.000 2.083 173 L HA -0.213 4.129 4.340 0.002 0.000 0.209 173 L C 2.453 179.079 176.870 -0.407 0.000 1.083 173 L CA 1.834 56.527 54.840 -0.245 0.000 0.752 173 L CB -0.423 41.381 42.059 -0.426 0.000 0.899 173 L HN 0.185 nan 8.230 nan 0.000 0.433 174 M N -1.134 118.262 119.600 -0.340 0.000 2.175 174 M HA -0.193 4.289 4.480 0.002 0.000 0.264 174 M C 2.220 178.491 176.300 -0.049 0.000 1.063 174 M CA 1.420 56.557 55.300 -0.272 0.000 1.119 174 M CB -1.208 31.273 32.600 -0.198 0.000 1.377 174 M HN 0.484 nan 8.290 nan 0.000 0.415 175 Q N -0.044 119.741 119.800 -0.025 0.000 2.050 175 Q HA -0.137 4.204 4.340 0.002 0.000 0.202 175 Q C 1.999 178.028 176.000 0.049 0.000 0.980 175 Q CA 2.000 57.812 55.803 0.015 0.000 0.840 175 Q CB 0.005 28.750 28.738 0.012 0.000 0.898 175 Q HN 0.480 nan 8.270 nan 0.000 0.424 176 A N -0.113 122.756 122.820 0.081 0.000 1.933 176 A HA -0.176 4.145 4.320 0.002 0.000 0.218 176 A C 1.512 179.268 177.584 0.287 0.000 1.175 176 A CA 1.173 53.307 52.037 0.162 0.000 0.628 176 A CB -1.060 18.055 19.000 0.191 0.000 0.814 176 A HN 0.609 nan 8.150 nan 0.000 0.444 177 W N 0.428 121.740 121.300 0.020 0.000 2.392 177 W HA -0.039 4.622 4.660 0.002 0.000 0.279 177 W C 2.062 178.570 176.519 -0.018 0.000 1.225 177 W CA 1.297 58.664 57.345 0.036 0.000 1.233 177 W CB -0.110 29.361 29.460 0.018 0.000 1.122 177 W HN 0.244 nan 8.180 nan 0.000 0.561 178 K N -0.569 119.937 120.400 0.177 0.000 2.168 178 K HA 0.119 4.440 4.320 0.002 0.000 0.201 178 K C 2.032 178.552 176.600 -0.132 0.000 1.049 178 K CA 0.590 56.906 56.287 0.048 0.000 0.974 178 K CB -0.805 31.741 32.500 0.076 0.000 0.792 178 K HN 0.206 nan 8.250 nan 0.000 0.463 179 L N 0.395 121.569 121.223 -0.082 0.000 2.072 179 L HA -0.056 4.285 4.340 0.002 0.000 0.205 179 L C 2.477 179.257 176.870 -0.151 0.000 1.079 179 L CA 1.271 56.032 54.840 -0.133 0.000 0.752 179 L CB -1.054 40.945 42.059 -0.100 0.000 0.906 179 L HN 0.253 nan 8.230 nan 0.000 0.436 180 G N 1.293 110.039 108.800 -0.090 0.000 2.586 180 G HA2 -0.253 3.708 3.960 0.002 0.000 0.218 180 G HA3 -0.253 3.708 3.960 0.002 0.000 0.218 180 G C -0.758 173.896 174.900 -0.411 0.000 1.216 180 G CA 1.099 46.152 45.100 -0.078 0.000 0.786 180 G HN 0.329 nan 8.290 nan 0.000 0.583 181 P HA 0.066 nan 4.420 nan 0.000 0.216 181 P C 2.146 179.067 177.300 -0.631 0.000 1.153 181 P CA 1.955 64.520 63.100 -0.890 0.000 0.844 181 P CB -0.236 30.981 31.700 -0.804 0.000 0.787 182 A N -0.156 122.136 122.820 -0.879 0.000 1.902 182 A HA -0.143 4.178 4.320 0.002 0.000 0.217 182 A C 2.256 179.731 177.584 -0.182 0.000 1.181 182 A CA 1.532 53.092 52.037 -0.795 0.000 0.623 182 A CB -1.655 16.869 19.000 -0.792 0.000 0.818 182 A HN 0.115 nan 8.150 nan 0.000 0.443 183 L N -1.184 120.006 121.223 -0.054 0.000 2.131 183 L HA -0.047 4.295 4.340 0.002 0.000 0.206 183 L C 3.033 180.076 176.870 0.289 0.000 1.087 183 L CA 0.746 55.754 54.840 0.280 0.000 0.767 183 L CB -0.605 41.631 42.059 0.294 0.000 0.917 183 L HN 0.409 nan 8.230 nan 0.000 0.441 184 A N 0.509 123.404 122.820 0.125 0.000 1.940 184 A HA -0.207 4.115 4.320 0.002 0.000 0.219 184 A C 2.201 179.837 177.584 0.087 0.000 1.176 184 A CA 2.309 54.424 52.037 0.130 0.000 0.631 184 A CB -0.856 18.232 19.000 0.147 0.000 0.814 184 A HN 0.509 nan 8.150 nan 0.000 0.446 185 T N -4.359 110.224 114.554 0.048 0.000 3.122 185 T HA 0.433 4.785 4.350 0.002 0.000 0.250 185 T C 1.160 175.918 174.700 0.097 0.000 1.067 185 T CA 0.896 63.037 62.100 0.069 0.000 0.966 185 T CB 0.050 68.953 68.868 0.057 0.000 1.002 185 T HN 1.714 nan 8.240 nan 0.000 0.542 186 G N 1.817 110.684 108.800 0.113 0.000 2.160 186 G HA2 -0.239 3.723 3.960 0.002 0.000 0.244 186 G HA3 -0.239 3.723 3.960 0.002 0.000 0.244 186 G C -0.082 175.088 174.900 0.451 0.000 1.022 186 G CA -0.310 44.816 45.100 0.043 0.000 0.741 186 G HN 0.590 nan 8.290 nan 0.000 0.508 187 N N -0.741 118.228 118.700 0.449 0.000 2.379 187 N HA 0.577 5.319 4.740 0.002 0.000 0.260 187 N C 0.545 176.314 175.510 0.432 0.000 1.254 187 N CA 0.469 53.730 53.050 0.350 0.000 0.958 187 N CB 1.794 40.362 38.487 0.135 0.000 1.208 187 N HN 0.732 nan 8.380 nan 0.000 0.532 188 V N -1.969 118.020 119.914 0.125 0.000 2.715 188 V HA 0.763 4.884 4.120 0.002 0.000 0.310 188 V C 0.005 176.063 176.094 -0.060 0.000 1.054 188 V CA -0.917 61.388 62.300 0.008 0.000 0.928 188 V CB 1.393 33.228 31.823 0.019 0.000 1.007 188 V HN 0.429 nan 8.190 nan 0.000 0.437 189 V N 1.670 121.534 119.914 -0.084 0.000 2.735 189 V HA 0.859 4.981 4.120 0.002 0.000 0.310 189 V C -0.638 175.418 176.094 -0.064 0.000 1.061 189 V CA -0.585 61.676 62.300 -0.065 0.000 0.913 189 V CB 1.794 33.578 31.823 -0.066 0.000 1.005 189 V HN 0.870 nan 8.190 nan 0.000 0.428 190 V N 6.635 126.520 119.914 -0.049 0.000 2.313 190 V HA 0.488 4.610 4.120 0.002 0.000 0.278 190 V C 0.032 176.123 176.094 -0.005 0.000 1.017 190 V CA -0.220 62.055 62.300 -0.042 0.000 0.823 190 V CB 1.202 32.981 31.823 -0.074 0.000 1.010 190 V HN 1.028 nan 8.190 nan 0.000 0.443 191 M N 5.346 124.952 119.600 0.010 0.000 2.268 191 M HA 0.526 5.007 4.480 0.002 0.000 0.344 191 M C -0.552 175.781 176.300 0.055 0.000 1.106 191 M CA -0.492 54.828 55.300 0.032 0.000 1.010 191 M CB 1.273 33.885 32.600 0.020 0.000 1.649 191 M HN 0.471 nan 8.290 nan 0.000 0.443 192 K N 5.635 126.077 120.400 0.070 0.000 2.293 192 K HA 0.449 4.770 4.320 0.002 0.000 0.267 192 K C -1.299 175.358 176.600 0.095 0.000 1.010 192 K CA -0.424 55.915 56.287 0.087 0.000 0.875 192 K CB 1.045 33.603 32.500 0.096 0.000 1.106 192 K HN 0.695 nan 8.250 nan 0.000 0.450 193 V N 0.891 120.872 119.914 0.111 0.000 2.837 193 V HA 0.680 4.801 4.120 0.002 0.000 0.310 193 V C 0.265 176.446 176.094 0.146 0.000 1.059 193 V CA -1.043 61.329 62.300 0.120 0.000 1.004 193 V CB 1.190 33.092 31.823 0.132 0.000 1.045 193 V HN 0.763 nan 8.190 nan 0.000 0.465 194 A N 2.526 125.441 122.820 0.159 0.000 2.477 194 A HA 0.291 4.612 4.320 0.002 0.000 0.246 194 A C 1.248 178.953 177.584 0.202 0.000 1.078 194 A CA 0.328 52.486 52.037 0.202 0.000 0.770 194 A CB -0.076 19.102 19.000 0.297 0.000 1.011 194 A HN 1.189 nan 8.150 nan 0.000 0.494 195 E N 1.825 122.112 120.200 0.145 0.000 2.267 195 E HA -0.295 4.056 4.350 0.002 0.000 0.197 195 E C 0.977 177.688 176.600 0.185 0.000 0.998 195 E CA 1.718 58.171 56.400 0.089 0.000 0.830 195 E CB -0.185 29.444 29.700 -0.119 0.000 0.751 195 E HN 0.808 nan 8.360 nan 0.000 0.491 196 Q N 0.652 120.516 119.800 0.107 0.000 2.230 196 Q HA -0.011 4.331 4.340 0.002 0.000 0.202 196 Q C 0.643 176.697 176.000 0.090 0.000 0.963 196 Q CA 1.720 57.536 55.803 0.021 0.000 0.866 196 Q CB 0.525 29.134 28.738 -0.215 0.000 0.931 196 Q HN 0.466 nan 8.270 nan 0.000 0.452 197 T N -4.089 110.561 114.554 0.160 0.000 3.631 197 T HA 0.337 4.689 4.350 0.002 0.000 0.256 197 T C -2.661 172.133 174.700 0.156 0.000 1.187 197 T CA -1.344 60.840 62.100 0.140 0.000 1.667 197 T CB 1.077 70.032 68.868 0.144 0.000 0.804 197 T HN -0.105 nan 8.240 nan 0.000 0.639 198 P HA 0.296 nan 4.420 nan 0.000 0.239 198 P C 1.558 178.940 177.300 0.136 0.000 1.188 198 P CA -0.169 63.042 63.100 0.184 0.000 0.794 198 P CB 0.283 32.138 31.700 0.257 0.000 0.937 199 L N -0.024 121.259 121.223 0.099 0.000 2.005 199 L HA -0.125 4.216 4.340 0.002 0.000 0.207 199 L C 2.531 179.475 176.870 0.124 0.000 1.072 199 L CA 2.437 57.324 54.840 0.080 0.000 0.744 199 L CB -1.983 40.091 42.059 0.025 0.000 0.895 199 L HN 0.086 nan 8.230 nan 0.000 0.433 200 T N -2.069 112.547 114.554 0.103 0.000 2.833 200 T HA -0.133 4.219 4.350 0.002 0.000 0.269 200 T C 1.902 176.708 174.700 0.177 0.000 1.054 200 T CA 1.009 63.191 62.100 0.138 0.000 1.135 200 T CB -0.385 68.532 68.868 0.081 0.000 0.869 200 T HN 0.327 nan 8.240 nan 0.000 0.466 201 A N 1.499 124.399 122.820 0.134 0.000 1.929 201 A HA 0.260 4.581 4.320 0.002 0.000 0.216 201 A C 2.420 180.073 177.584 0.116 0.000 1.176 201 A CA 0.940 53.040 52.037 0.106 0.000 0.628 201 A CB -0.767 18.285 19.000 0.088 0.000 0.816 201 A HN 0.528 nan 8.150 nan 0.000 0.444 202 L N -2.190 119.141 121.223 0.180 0.000 2.093 202 L HA -0.168 4.173 4.340 0.002 0.000 0.208 202 L C 2.559 179.596 176.870 0.278 0.000 1.085 202 L CA 1.535 56.541 54.840 0.278 0.000 0.755 202 L CB -0.579 41.638 42.059 0.262 0.000 0.904 202 L HN 0.572 nan 8.230 nan 0.000 0.435 203 Y N 0.254 120.642 120.300 0.146 0.000 2.242 203 Y HA -0.191 4.361 4.550 0.002 0.000 0.291 203 Y C 2.379 178.349 175.900 0.117 0.000 1.137 203 Y CA 1.274 59.478 58.100 0.174 0.000 1.181 203 Y CB -0.148 38.474 38.460 0.271 0.000 0.989 203 Y HN -0.169 nan 8.280 nan 0.000 0.527 204 V N 0.286 120.258 119.914 0.096 0.000 2.490 204 V HA -0.327 3.794 4.120 0.002 0.000 0.250 204 V C 2.602 178.570 176.094 -0.210 0.000 1.061 204 V CA 1.550 63.828 62.300 -0.038 0.000 1.064 204 V CB -1.491 30.344 31.823 0.020 0.000 0.670 204 V HN 0.562 nan 8.190 nan 0.000 0.461 205 A N 0.311 122.956 122.820 -0.291 0.000 1.902 205 A HA -0.268 4.054 4.320 0.002 0.000 0.217 205 A C 2.072 179.241 177.584 -0.691 0.000 1.181 205 A CA 2.206 53.795 52.037 -0.746 0.000 0.623 205 A CB -0.747 17.500 19.000 -1.256 0.000 0.818 205 A HN 0.559 nan 8.150 nan 0.000 0.443 206 N N 0.088 118.607 118.700 -0.302 0.000 2.094 206 N HA -0.118 4.624 4.740 0.002 0.000 0.191 206 N C 1.540 176.942 175.510 -0.181 0.000 1.023 206 N CA 1.511 54.480 53.050 -0.135 0.000 0.857 206 N CB -0.422 37.961 38.487 -0.174 0.000 1.013 206 N HN 0.537 nan 8.380 nan 0.000 0.426 207 L N -0.185 120.884 121.223 -0.257 0.000 2.156 207 L HA -0.036 4.305 4.340 0.002 0.000 0.208 207 L C 1.997 178.840 176.870 -0.044 0.000 1.095 207 L CA 0.606 55.363 54.840 -0.139 0.000 0.770 207 L CB -0.319 41.673 42.059 -0.112 0.000 0.914 207 L HN 0.170 nan 8.230 nan 0.000 0.439 208 I N 0.234 120.736 120.570 -0.113 0.000 2.179 208 I HA -0.311 3.861 4.170 0.002 0.000 0.242 208 I C 2.769 178.964 176.117 0.130 0.000 1.088 208 I CA 1.364 62.617 61.300 -0.078 0.000 1.357 208 I CB -0.254 37.548 38.000 -0.330 0.000 1.051 208 I HN 0.263 nan 8.210 nan 0.000 0.409 209 K N 1.250 121.703 120.400 0.089 0.000 2.009 209 K HA -0.282 4.040 4.320 0.002 0.000 0.210 209 K C 2.101 178.774 176.600 0.123 0.000 1.049 209 K CA 1.969 58.353 56.287 0.161 0.000 0.929 209 K CB -0.190 32.430 32.500 0.199 0.000 0.714 209 K HN 0.242 nan 8.250 nan 0.000 0.440 210 E N -0.293 119.952 120.200 0.076 0.000 2.160 210 E HA -0.199 4.152 4.350 0.002 0.000 0.195 210 E C 1.643 178.293 176.600 0.083 0.000 0.991 210 E CA 1.032 57.467 56.400 0.059 0.000 0.810 210 E CB -0.104 29.607 29.700 0.018 0.000 0.742 210 E HN 0.485 nan 8.360 nan 0.000 0.466 211 A N -0.245 122.656 122.820 0.135 0.000 2.014 211 A HA 0.083 4.405 4.320 0.002 0.000 0.218 211 A C 1.891 179.524 177.584 0.081 0.000 1.163 211 A CA 1.434 53.562 52.037 0.151 0.000 0.652 211 A CB -0.244 18.942 19.000 0.310 0.000 0.808 211 A HN 0.504 nan 8.150 nan 0.000 0.449 212 G N -2.893 105.977 108.800 0.117 0.000 2.205 212 G HA2 -0.139 3.822 3.960 0.002 0.000 0.180 212 G HA3 -0.139 3.822 3.960 0.002 0.000 0.180 212 G C -0.019 174.895 174.900 0.024 0.000 1.004 212 G CA -0.261 44.865 45.100 0.044 0.000 0.670 212 G HN 0.251 nan 8.290 nan 0.000 0.496 213 F N 2.307 122.265 119.950 0.013 0.000 2.602 213 F HA 0.376 4.904 4.527 0.002 0.000 0.385 213 F C -1.136 174.630 175.800 -0.057 0.000 1.063 213 F CA -1.135 56.834 58.000 -0.052 0.000 1.233 213 F CB 0.272 39.180 39.000 -0.153 0.000 1.067 213 F HN -0.089 nan 8.300 nan 0.000 0.564 214 P HA -0.006 nan 4.420 nan 0.000 0.268 214 P C -2.418 174.876 177.300 -0.010 0.000 1.208 214 P CA -0.847 62.286 63.100 0.054 0.000 0.777 214 P CB -0.193 31.569 31.700 0.103 0.000 0.875 215 P HA -0.036 nan 4.420 nan 0.000 0.264 215 P C 0.849 178.089 177.300 -0.100 0.000 1.193 215 P CA 1.080 64.128 63.100 -0.086 0.000 0.763 215 P CB 0.154 31.809 31.700 -0.076 0.000 0.810 216 G N 1.863 110.573 108.800 -0.151 0.000 2.213 216 G HA2 -0.290 3.671 3.960 0.002 0.000 0.236 216 G HA3 -0.290 3.671 3.960 0.002 0.000 0.236 216 G C 0.828 175.641 174.900 -0.146 0.000 0.991 216 G CA 0.138 45.158 45.100 -0.133 0.000 0.629 216 G HN 0.380 nan 8.290 nan 0.000 0.517 217 V N 0.043 119.826 119.914 -0.219 0.000 2.379 217 V HA 0.107 4.228 4.120 0.002 0.000 0.245 217 V C 1.441 177.363 176.094 -0.286 0.000 1.044 217 V CA 1.940 64.006 62.300 -0.390 0.000 1.036 217 V CB 0.172 31.523 31.823 -0.786 0.000 0.664 217 V HN 0.390 nan 8.190 nan 0.000 0.453 218 V N 1.845 121.636 119.914 -0.205 0.000 2.444 218 V HA 0.485 4.606 4.120 0.002 0.000 0.294 218 V C -0.788 175.315 176.094 0.015 0.000 1.022 218 V CA -0.766 61.458 62.300 -0.125 0.000 0.850 218 V CB 1.610 33.316 31.823 -0.196 0.000 0.992 218 V HN 0.440 nan 8.190 nan 0.000 0.426 219 N N 5.376 124.076 118.700 -0.000 0.000 2.296 219 N HA 0.647 5.389 4.740 0.002 0.000 0.294 219 N C -1.270 174.280 175.510 0.066 0.000 1.033 219 N CA -0.429 52.642 53.050 0.034 0.000 0.839 219 N CB 3.082 41.524 38.487 -0.076 0.000 1.395 219 N HN 0.502 nan 8.380 nan 0.000 0.479 220 I N 1.464 122.119 120.570 0.142 0.000 2.418 220 I HA 0.336 4.507 4.170 0.002 0.000 0.287 220 I C -0.502 175.697 176.117 0.137 0.000 1.008 220 I CA -0.995 60.377 61.300 0.120 0.000 1.104 220 I CB 2.136 40.208 38.000 0.120 0.000 1.264 220 I HN 0.057 nan 8.210 nan 0.000 0.438 221 V N 7.920 127.897 119.914 0.104 0.000 2.305 221 V HA 0.307 4.428 4.120 0.002 0.000 0.275 221 V C -2.108 174.060 176.094 0.124 0.000 1.020 221 V CA -1.548 60.814 62.300 0.103 0.000 0.811 221 V CB 1.257 33.111 31.823 0.052 0.000 1.031 221 V HN 0.564 nan 8.190 nan 0.000 0.439 222 P HA 0.564 nan 4.420 nan 0.000 0.274 222 P C 0.192 177.598 177.300 0.177 0.000 1.231 222 P CA 0.455 63.690 63.100 0.225 0.000 0.790 222 P CB 1.970 33.856 31.700 0.311 0.000 0.951 223 G N 0.491 109.321 108.800 0.051 0.000 2.333 223 G HA2 0.335 4.296 3.960 0.002 0.000 0.288 223 G HA3 0.335 4.296 3.960 0.002 0.000 0.288 223 G C -1.593 173.082 174.900 -0.374 0.000 1.286 223 G CA -0.859 44.056 45.100 -0.309 0.000 0.865 223 G HN 0.302 nan 8.290 nan 0.000 0.506 224 F N 0.246 120.116 119.950 -0.133 0.000 2.411 224 F HA 0.544 5.072 4.527 0.002 0.000 0.324 224 F C 1.799 177.584 175.800 -0.026 0.000 1.086 224 F CA -0.242 57.684 58.000 -0.123 0.000 1.028 224 F CB 1.628 40.554 39.000 -0.122 0.000 1.284 224 F HN 0.654 nan 8.300 nan 0.000 0.501 225 G N 0.394 109.324 108.800 0.216 0.000 2.404 225 G HA2 -0.094 3.868 3.960 0.002 0.000 0.214 225 G HA3 -0.094 3.868 3.960 0.002 0.000 0.214 225 G C -1.127 173.841 174.900 0.114 0.000 1.189 225 G CA 0.480 45.672 45.100 0.153 0.000 0.789 225 G HN 0.428 nan 8.290 nan 0.000 0.533 226 P HA 0.025 nan 4.420 nan 0.000 0.231 226 P C 1.540 178.887 177.300 0.079 0.000 1.158 226 P CA 1.830 64.971 63.100 0.069 0.000 0.763 226 P CB 0.163 31.895 31.700 0.055 0.000 0.805 227 T N -4.338 110.281 114.554 0.108 0.000 3.499 227 T HA 0.329 4.681 4.350 0.002 0.000 0.227 227 T C 1.907 176.643 174.700 0.060 0.000 0.946 227 T CA 0.565 62.715 62.100 0.084 0.000 1.368 227 T CB -0.975 67.951 68.868 0.097 0.000 1.227 227 T HN -0.114 nan 8.240 nan 0.000 0.398 228 A N 1.795 124.644 122.820 0.049 0.000 1.855 228 A HA 0.305 4.626 4.320 0.002 0.000 0.215 228 A C 2.623 180.246 177.584 0.065 0.000 1.191 228 A CA 1.913 53.976 52.037 0.044 0.000 0.613 228 A CB -1.736 17.278 19.000 0.024 0.000 0.829 228 A HN 0.678 nan 8.150 nan 0.000 0.442 229 G N -0.410 108.441 108.800 0.085 0.000 2.446 229 G HA2 -0.041 3.920 3.960 0.002 0.000 0.217 229 G HA3 -0.041 3.920 3.960 0.002 0.000 0.217 229 G C 1.741 176.681 174.900 0.068 0.000 1.168 229 G CA 1.612 46.772 45.100 0.100 0.000 0.771 229 G HN 0.858 nan 8.290 nan 0.000 0.551 230 A N 0.905 123.755 122.820 0.050 0.000 2.015 230 A HA 0.351 4.672 4.320 0.002 0.000 0.219 230 A C 2.768 180.375 177.584 0.038 0.000 1.163 230 A CA 1.999 54.051 52.037 0.025 0.000 0.646 230 A CB -0.596 18.415 19.000 0.018 0.000 0.806 230 A HN 0.757 nan 8.150 nan 0.000 0.448 231 A N 0.304 123.157 122.820 0.055 0.000 1.877 231 A HA -0.108 4.213 4.320 0.002 0.000 0.216 231 A C 2.105 179.754 177.584 0.108 0.000 1.186 231 A CA 1.555 53.637 52.037 0.076 0.000 0.620 231 A CB -0.605 18.442 19.000 0.079 0.000 0.822 231 A HN 0.488 nan 8.150 nan 0.000 0.443 232 I N -0.259 120.363 120.570 0.087 0.000 2.179 232 I HA -0.292 3.879 4.170 0.002 0.000 0.242 232 I C 2.932 179.098 176.117 0.081 0.000 1.088 232 I CA 1.178 62.525 61.300 0.078 0.000 1.357 232 I CB -0.351 37.684 38.000 0.059 0.000 1.051 232 I HN 0.365 nan 8.210 nan 0.000 0.409 233 A N -0.705 122.149 122.820 0.058 0.000 2.015 233 A HA -0.126 4.195 4.320 0.002 0.000 0.219 233 A C 2.307 179.910 177.584 0.033 0.000 1.163 233 A CA 1.787 53.843 52.037 0.032 0.000 0.646 233 A CB -0.347 18.648 19.000 -0.008 0.000 0.806 233 A HN 0.364 nan 8.150 nan 0.000 0.448 234 S N -1.232 114.494 115.700 0.044 0.000 2.540 234 S HA 0.108 4.580 4.470 0.002 0.000 0.218 234 S C 0.430 175.052 174.600 0.037 0.000 0.977 234 S CA -0.550 57.666 58.200 0.026 0.000 0.918 234 S CB -0.233 62.969 63.200 0.003 0.000 0.806 234 S HN 0.679 nan 8.310 nan 0.000 0.496 235 H N 2.568 121.636 119.070 -0.003 0.000 2.803 235 H HA 0.108 4.666 4.556 0.002 0.000 0.330 235 H C 0.765 176.091 175.328 -0.003 0.000 1.057 235 H CA 0.535 56.582 56.048 -0.002 0.000 1.458 235 H CB 0.726 30.487 29.762 -0.001 0.000 1.470 235 H HN 0.154 nan 8.280 nan 0.000 0.560 236 E N 3.074 123.212 120.200 -0.104 0.000 2.478 236 E HA -0.113 4.238 4.350 0.002 0.000 0.198 236 E C 0.407 177.087 176.600 0.132 0.000 1.046 236 E CA 0.695 57.095 56.400 0.001 0.000 0.870 236 E CB 0.280 29.932 29.700 -0.079 0.000 0.818 236 E HN 0.585 nan 8.360 nan 0.000 0.527 237 D N -0.428 120.208 120.400 0.394 0.000 2.535 237 D HA 0.060 4.702 4.640 0.002 0.000 0.229 237 D C -0.768 175.598 176.300 0.111 0.000 1.238 237 D CA -0.042 54.101 54.000 0.239 0.000 0.824 237 D CB 0.710 41.656 40.800 0.242 0.000 1.045 237 D HN -0.225 nan 8.370 nan 0.000 0.500 238 V N 1.537 121.521 119.914 0.117 0.000 2.432 238 V HA 0.173 4.294 4.120 0.002 0.000 0.275 238 V C 0.822 176.923 176.094 0.012 0.000 1.043 238 V CA -0.314 61.989 62.300 0.005 0.000 0.925 238 V CB 1.750 33.574 31.823 0.001 0.000 0.985 238 V HN 0.084 nan 8.190 nan 0.000 0.466 239 D N 2.821 123.206 120.400 -0.024 0.000 2.305 239 D HA 0.071 4.712 4.640 0.002 0.000 0.206 239 D C 0.743 177.028 176.300 -0.026 0.000 0.974 239 D CA 0.808 54.794 54.000 -0.023 0.000 0.871 239 D CB 0.638 41.408 40.800 -0.049 0.000 0.947 239 D HN 0.386 nan 8.370 nan 0.000 0.516 240 K N 0.640 121.024 120.400 -0.026 0.000 2.557 240 K HA 0.351 4.672 4.320 0.002 0.000 0.261 240 K C -2.073 174.522 176.600 -0.008 0.000 0.932 240 K CA -0.592 55.674 56.287 -0.035 0.000 0.829 240 K CB 2.895 35.353 32.500 -0.069 0.000 1.358 240 K HN -0.143 nan 8.250 nan 0.000 0.430 241 V N 1.844 121.755 119.914 -0.004 0.000 2.709 241 V HA 0.843 4.965 4.120 0.002 0.000 0.308 241 V C -1.481 174.643 176.094 0.050 0.000 1.062 241 V CA -0.382 61.941 62.300 0.039 0.000 0.901 241 V CB 1.703 33.557 31.823 0.051 0.000 1.003 241 V HN 0.883 nan 8.190 nan 0.000 0.425 242 A N 6.353 129.235 122.820 0.103 0.000 2.311 242 A HA 0.817 5.138 4.320 0.002 0.000 0.306 242 A C -1.326 176.375 177.584 0.194 0.000 1.189 242 A CA -0.412 51.700 52.037 0.125 0.000 0.791 242 A CB 0.871 19.955 19.000 0.140 0.000 1.172 242 A HN 1.142 nan 8.150 nan 0.000 0.481 243 F N 2.388 122.366 119.950 0.048 0.000 2.482 243 F HA 0.666 5.194 4.527 0.002 0.000 0.331 243 F C -0.217 175.617 175.800 0.057 0.000 1.115 243 F CA -0.012 58.016 58.000 0.048 0.000 0.955 243 F CB 2.149 41.169 39.000 0.033 0.000 1.136 243 F HN 0.392 nan 8.300 nan 0.000 0.452 244 T N 4.916 119.022 114.554 -0.746 0.000 2.786 244 T HA 0.777 5.129 4.350 0.002 0.000 0.283 244 T C -0.068 174.007 174.700 -1.042 0.000 0.992 244 T CA -0.268 61.476 62.100 -0.594 0.000 0.954 244 T CB 1.054 69.764 68.868 -0.263 0.000 0.934 244 T HN 1.073 nan 8.240 nan 0.000 0.440 245 G N 1.776 110.180 108.800 -0.660 0.000 2.356 245 G HA2 0.458 4.419 3.960 0.002 0.000 0.281 245 G HA3 0.458 4.419 3.960 0.002 0.000 0.281 245 G C -0.590 174.318 174.900 0.012 0.000 1.246 245 G CA -0.399 44.475 45.100 -0.377 0.000 0.889 245 G HN 0.863 nan 8.290 nan 0.000 0.486 246 S N -0.526 115.239 115.700 0.109 0.000 2.572 246 S HA 0.365 4.836 4.470 0.002 0.000 0.279 246 S C 1.343 176.057 174.600 0.191 0.000 1.341 246 S CA 1.064 59.314 58.200 0.084 0.000 1.043 246 S CB 1.226 64.464 63.200 0.063 0.000 0.887 246 S HN 0.825 nan 8.310 nan 0.000 0.516 247 T N 1.372 116.029 114.554 0.173 0.000 2.849 247 T HA -0.136 4.215 4.350 0.002 0.000 0.270 247 T C 1.584 176.348 174.700 0.107 0.000 1.066 247 T CA 1.714 63.921 62.100 0.179 0.000 1.130 247 T CB -0.426 68.588 68.868 0.243 0.000 0.864 247 T HN 0.865 nan 8.240 nan 0.000 0.481 248 E N 0.447 120.703 120.200 0.093 0.000 2.047 248 E HA -0.121 4.231 4.350 0.002 0.000 0.191 248 E C 1.972 178.577 176.600 0.008 0.000 0.987 248 E CA 0.931 57.359 56.400 0.047 0.000 0.799 248 E CB 0.003 29.733 29.700 0.050 0.000 0.752 248 E HN 0.326 nan 8.360 nan 0.000 0.449 249 I N 0.904 121.485 120.570 0.019 0.000 2.286 249 I HA -0.082 4.090 4.170 0.002 0.000 0.245 249 I C 2.632 178.559 176.117 -0.316 0.000 1.104 249 I CA 1.222 62.455 61.300 -0.110 0.000 1.397 249 I CB -1.700 36.286 38.000 -0.023 0.000 1.072 249 I HN 0.238 nan 8.210 nan 0.000 0.417 250 G N 1.566 110.256 108.800 -0.183 0.000 2.550 250 G HA2 -0.292 3.669 3.960 0.002 0.000 0.222 250 G HA3 -0.292 3.669 3.960 0.002 0.000 0.222 250 G C 1.835 176.646 174.900 -0.149 0.000 1.113 250 G CA 0.733 45.731 45.100 -0.171 0.000 0.748 250 G HN 0.400 nan 8.290 nan 0.000 0.585 251 R N -0.360 120.081 120.500 -0.098 0.000 2.153 251 R HA 0.109 4.451 4.340 0.002 0.000 0.218 251 R C 2.547 178.788 176.300 -0.099 0.000 1.072 251 R CA 0.739 56.794 56.100 -0.074 0.000 0.990 251 R CB -0.320 29.954 30.300 -0.043 0.000 0.889 251 R HN 0.318 nan 8.270 nan 0.000 0.452 252 V N 1.584 121.416 119.914 -0.137 0.000 2.343 252 V HA -0.235 3.887 4.120 0.002 0.000 0.247 252 V C 2.301 178.303 176.094 -0.154 0.000 1.051 252 V CA 1.455 63.675 62.300 -0.133 0.000 1.036 252 V CB -0.425 31.310 31.823 -0.147 0.000 0.654 252 V HN 0.206 nan 8.190 nan 0.000 0.451 253 I N 0.156 120.579 120.570 -0.245 0.000 2.163 253 I HA -0.308 3.863 4.170 0.002 0.000 0.243 253 I C 2.552 178.601 176.117 -0.113 0.000 1.085 253 I CA 2.007 63.177 61.300 -0.218 0.000 1.347 253 I CB -1.263 36.533 38.000 -0.340 0.000 1.044 253 I HN 0.445 nan 8.210 nan 0.000 0.408 254 Q N 0.378 120.121 119.800 -0.096 0.000 2.224 254 Q HA -0.105 4.237 4.340 0.002 0.000 0.203 254 Q C 2.226 178.197 176.000 -0.048 0.000 0.970 254 Q CA 0.975 56.744 55.803 -0.056 0.000 0.865 254 Q CB 0.289 29.001 28.738 -0.043 0.000 0.922 254 Q HN 0.345 nan 8.270 nan 0.000 0.445 255 V N 0.250 120.131 119.914 -0.055 0.000 2.488 255 V HA -0.132 3.989 4.120 0.002 0.000 0.246 255 V C 2.227 178.297 176.094 -0.039 0.000 1.046 255 V CA 1.387 63.661 62.300 -0.043 0.000 1.053 255 V CB -0.668 31.129 31.823 -0.044 0.000 0.679 255 V HN 0.471 nan 8.190 nan 0.000 0.458 256 A N 0.466 123.259 122.820 -0.045 0.000 1.865 256 A HA -0.181 4.140 4.320 0.002 0.000 0.217 256 A C 2.472 180.041 177.584 -0.024 0.000 1.191 256 A CA 2.300 54.317 52.037 -0.034 0.000 0.623 256 A CB -0.981 17.997 19.000 -0.038 0.000 0.826 256 A HN 0.559 nan 8.150 nan 0.000 0.444 257 A N -0.522 122.282 122.820 -0.027 0.000 1.884 257 A HA -0.033 4.288 4.320 0.002 0.000 0.219 257 A C 2.496 180.070 177.584 -0.018 0.000 1.197 257 A CA 2.395 54.421 52.037 -0.018 0.000 0.637 257 A CB -1.623 17.364 19.000 -0.022 0.000 0.827 257 A HN 0.935 nan 8.150 nan 0.000 0.450 258 G N -1.400 107.387 108.800 -0.023 0.000 2.432 258 G HA2 -0.070 3.892 3.960 0.002 0.000 0.219 258 G HA3 -0.070 3.892 3.960 0.002 0.000 0.219 258 G C 1.590 176.479 174.900 -0.019 0.000 1.135 258 G CA 1.342 46.429 45.100 -0.021 0.000 0.767 258 G HN 0.546 nan 8.290 nan 0.000 0.550 259 S N -0.010 115.678 115.700 -0.020 0.000 2.548 259 S HA 0.102 4.574 4.470 0.002 0.000 0.215 259 S C 2.169 176.759 174.600 -0.017 0.000 0.976 259 S CA 0.657 58.846 58.200 -0.019 0.000 0.908 259 S CB 0.262 63.450 63.200 -0.021 0.000 0.781 259 S HN 0.608 nan 8.310 nan 0.000 0.519 260 S N 3.346 119.037 115.700 -0.015 0.000 2.836 260 S HA 0.113 4.584 4.470 0.002 0.000 0.164 260 S C 0.948 175.543 174.600 -0.009 0.000 0.714 260 S CA 0.166 58.358 58.200 -0.013 0.000 0.906 260 S CB -0.515 62.680 63.200 -0.007 0.000 0.702 260 S HN 0.459 nan 8.310 nan 0.000 0.571 261 N N 1.181 119.881 118.700 -0.001 0.000 2.235 261 N HA 0.265 5.006 4.740 0.002 0.000 0.231 261 N C 0.083 175.593 175.510 0.000 0.000 1.177 261 N CA -0.160 52.892 53.050 0.003 0.000 0.874 261 N CB -0.409 38.088 38.487 0.015 0.000 1.097 261 N HN 0.603 nan 8.380 nan 0.000 0.518 262 L N -0.041 121.179 121.223 -0.005 0.000 3.717 262 L HA -0.295 4.047 4.340 0.002 0.000 0.414 262 L C -0.046 176.818 176.870 -0.010 0.000 1.228 262 L CA 0.643 55.477 54.840 -0.010 0.000 0.918 262 L CB -1.547 40.505 42.059 -0.010 0.000 1.865 262 L HN 0.451 nan 8.230 nan 0.000 0.922 263 K N -0.130 120.267 120.400 -0.006 0.000 2.414 263 K HA 0.369 4.691 4.320 0.002 0.000 0.272 263 K C 0.349 176.937 176.600 -0.021 0.000 0.993 263 K CA -0.598 55.684 56.287 -0.009 0.000 0.964 263 K CB 0.422 32.922 32.500 0.000 0.000 0.925 263 K HN 0.015 nan 8.250 nan 0.000 0.487 264 R N 1.061 121.541 120.500 -0.033 0.000 2.537 264 R HA 0.182 4.523 4.340 0.002 0.000 0.280 264 R C -0.642 175.626 176.300 -0.053 0.000 1.058 264 R CA -0.220 55.850 56.100 -0.050 0.000 1.057 264 R CB 0.813 31.070 30.300 -0.073 0.000 0.973 264 R HN 0.433 nan 8.270 nan 0.000 0.438 265 V N 2.269 122.154 119.914 -0.049 0.000 2.638 265 V HA 0.514 4.636 4.120 0.002 0.000 0.306 265 V C -0.371 175.703 176.094 -0.032 0.000 1.052 265 V CA -0.733 61.548 62.300 -0.030 0.000 0.885 265 V CB 2.142 33.956 31.823 -0.015 0.000 0.999 265 V HN 0.991 nan 8.190 nan 0.000 0.424 266 T N 3.097 117.641 114.554 -0.015 0.000 2.893 266 T HA 0.870 5.222 4.350 0.002 0.000 0.291 266 T C -1.008 173.739 174.700 0.080 0.000 1.028 266 T CA -0.744 61.359 62.100 0.004 0.000 0.995 266 T CB 1.778 70.623 68.868 -0.038 0.000 1.051 266 T HN 0.375 nan 8.240 nan 0.000 0.470 267 L N 1.777 123.058 121.223 0.095 0.000 2.409 267 L HA 0.541 4.882 4.340 0.002 0.000 0.272 267 L C -0.430 176.529 176.870 0.148 0.000 0.980 267 L CA -0.845 54.094 54.840 0.165 0.000 0.826 267 L CB 2.288 44.444 42.059 0.161 0.000 1.268 267 L HN 0.683 nan 8.230 nan 0.000 0.407 268 E N 5.187 125.482 120.200 0.157 0.000 2.149 268 E HA 0.494 4.845 4.350 0.002 0.000 0.255 268 E C -0.719 175.960 176.600 0.132 0.000 0.888 268 E CA -0.247 56.251 56.400 0.162 0.000 0.742 268 E CB 2.252 32.077 29.700 0.209 0.000 1.164 268 E HN 0.485 nan 8.360 nan 0.000 0.422 269 L N 0.252 121.565 121.223 0.150 0.000 2.793 269 L HA 0.618 4.960 4.340 0.002 0.000 0.242 269 L C 1.192 178.117 176.870 0.091 0.000 1.315 269 L CA -1.084 53.840 54.840 0.140 0.000 1.263 269 L CB 0.170 42.344 42.059 0.192 0.000 2.076 269 L HN 0.400 nan 8.230 nan 0.000 0.575 270 G N -1.525 107.308 108.800 0.056 0.000 2.588 270 G HA2 0.553 4.514 3.960 0.002 0.000 0.281 270 G HA3 0.553 4.514 3.960 0.002 0.000 0.281 270 G C -0.621 174.030 174.900 -0.414 0.000 1.236 270 G CA 0.111 45.121 45.100 -0.151 0.000 0.969 270 G HN 0.764 nan 8.290 nan 0.000 0.504 271 G N -1.667 106.721 108.800 -0.688 0.000 2.708 271 G HA2 0.513 4.474 3.960 0.002 0.000 0.289 271 G HA3 0.513 4.474 3.960 0.002 0.000 0.289 271 G C -1.323 173.185 174.900 -0.654 0.000 1.416 271 G CA -0.648 44.043 45.100 -0.682 0.000 0.829 271 G HN 0.561 nan 8.290 nan 0.000 0.480 272 K N 0.552 120.837 120.400 -0.192 0.000 3.207 272 K HA 0.430 4.751 4.320 0.002 0.000 0.166 272 K C -0.182 176.485 176.600 0.112 0.000 1.079 272 K CA -0.323 55.980 56.287 0.026 0.000 0.818 272 K CB 0.273 32.894 32.500 0.201 0.000 0.967 272 K HN 0.401 nan 8.250 nan 0.000 0.594 273 S N 2.999 118.770 115.700 0.118 0.000 2.549 273 S HA 0.289 4.760 4.470 0.002 0.000 0.283 273 S C -2.438 172.299 174.600 0.228 0.000 1.320 273 S CA -0.785 57.527 58.200 0.186 0.000 1.058 273 S CB 0.556 63.921 63.200 0.274 0.000 0.882 273 S HN 0.339 nan 8.310 nan 0.000 0.498 274 P HA 0.291 nan 4.420 nan 0.000 0.296 274 P C -1.044 176.464 177.300 0.345 0.000 1.306 274 P CA -0.700 62.603 63.100 0.339 0.000 0.818 274 P CB 0.399 32.276 31.700 0.294 0.000 0.969 275 N N 3.504 122.408 118.700 0.339 0.000 2.501 275 N HA 0.354 5.095 4.740 0.002 0.000 0.245 275 N C -0.898 174.793 175.510 0.302 0.000 0.974 275 N CA -0.575 52.677 53.050 0.337 0.000 0.941 275 N CB 0.357 38.937 38.487 0.154 0.000 1.122 275 N HN 0.294 nan 8.380 nan 0.000 0.507 276 I N 4.913 125.671 120.570 0.314 0.000 2.312 276 I HA 0.278 4.449 4.170 0.002 0.000 0.290 276 I C -0.259 176.046 176.117 0.313 0.000 1.008 276 I CA -0.732 60.720 61.300 0.253 0.000 1.226 276 I CB 1.166 39.209 38.000 0.072 0.000 1.371 276 I HN 0.387 nan 8.210 nan 0.000 0.468 277 I N 7.009 127.743 120.570 0.274 0.000 2.306 277 I HA 0.307 4.479 4.170 0.002 0.000 0.288 277 I C 0.238 176.516 176.117 0.268 0.000 1.036 277 I CA -0.559 60.855 61.300 0.190 0.000 1.221 277 I CB 0.631 38.532 38.000 -0.166 0.000 1.385 277 I HN 0.471 nan 8.210 nan 0.000 0.472 278 M N 3.769 123.544 119.600 0.291 0.000 2.198 278 M HA 0.117 4.598 4.480 0.002 0.000 0.315 278 M C 1.645 178.023 176.300 0.130 0.000 1.134 278 M CA 0.040 55.483 55.300 0.238 0.000 1.171 278 M CB 0.482 33.208 32.600 0.211 0.000 1.413 278 M HN 0.662 nan 8.290 nan 0.000 0.467 279 S N 0.019 115.759 115.700 0.066 0.000 2.507 279 S HA -0.119 4.352 4.470 0.002 0.000 0.235 279 S C 0.741 175.385 174.600 0.073 0.000 0.988 279 S CA 1.047 59.270 58.200 0.040 0.000 0.944 279 S CB -0.484 62.715 63.200 -0.002 0.000 0.762 279 S HN 0.734 nan 8.310 nan 0.000 0.526 280 D N 1.503 121.959 120.400 0.093 0.000 2.340 280 D HA 0.369 5.010 4.640 0.002 0.000 0.217 280 D C 0.684 177.065 176.300 0.134 0.000 1.081 280 D CA 0.085 54.143 54.000 0.096 0.000 0.842 280 D CB -0.359 40.487 40.800 0.077 0.000 0.934 280 D HN 0.480 nan 8.370 nan 0.000 0.511 281 A N 0.596 123.523 122.820 0.179 0.000 2.492 281 A HA 0.065 4.386 4.320 0.002 0.000 0.236 281 A C 0.382 178.108 177.584 0.236 0.000 1.078 281 A CA -0.137 52.053 52.037 0.255 0.000 0.773 281 A CB 0.102 19.301 19.000 0.332 0.000 1.023 281 A HN 0.199 nan 8.150 nan 0.000 0.504 282 D N 1.445 122.020 120.400 0.292 0.000 2.339 282 D HA 0.131 4.772 4.640 0.002 0.000 0.256 282 D C 1.029 177.503 176.300 0.290 0.000 1.214 282 D CA -0.201 53.957 54.000 0.263 0.000 0.877 282 D CB 0.682 41.647 40.800 0.275 0.000 1.111 282 D HN 0.487 nan 8.370 nan 0.000 0.478 283 M N 4.331 124.056 119.600 0.209 0.000 2.067 283 M HA -0.183 4.298 4.480 0.002 0.000 0.260 283 M C 1.140 177.532 176.300 0.155 0.000 1.069 283 M CA 1.659 57.072 55.300 0.188 0.000 1.117 283 M CB -0.230 32.450 32.600 0.134 0.000 1.334 283 M HN 0.317 nan 8.290 nan 0.000 0.407 284 D N -0.772 119.715 120.400 0.146 0.000 2.092 284 D HA -0.251 4.390 4.640 0.002 0.000 0.193 284 D C 1.860 178.267 176.300 0.178 0.000 0.994 284 D CA 1.564 55.634 54.000 0.117 0.000 0.828 284 D CB -0.810 40.065 40.800 0.125 0.000 0.963 284 D HN 0.652 nan 8.370 nan 0.000 0.450 285 W N 1.790 123.135 121.300 0.075 0.000 2.354 285 W HA -0.218 4.443 4.660 0.003 0.000 0.315 285 W C 2.235 178.822 176.519 0.113 0.000 1.206 285 W CA 1.753 59.169 57.345 0.118 0.000 1.290 285 W CB -0.159 29.409 29.460 0.180 0.000 1.152 285 W HN -0.022 nan 8.180 nan 0.000 0.489 286 A N 0.346 123.251 122.820 0.141 0.000 1.940 286 A HA -0.200 4.121 4.320 0.002 0.000 0.219 286 A C 2.041 179.540 177.584 -0.141 0.000 1.176 286 A CA 2.321 54.252 52.037 -0.177 0.000 0.631 286 A CB -1.145 17.913 19.000 0.097 0.000 0.814 286 A HN 0.191 nan 8.150 nan 0.000 0.446 287 V N -0.208 119.657 119.914 -0.082 0.000 2.307 287 V HA -0.204 3.917 4.120 0.002 0.000 0.245 287 V C 2.601 178.560 176.094 -0.225 0.000 1.045 287 V CA 2.335 64.431 62.300 -0.341 0.000 1.024 287 V CB -0.652 30.892 31.823 -0.466 0.000 0.651 287 V HN 0.700 nan 8.190 nan 0.000 0.449 288 E N -0.077 120.010 120.200 -0.189 0.000 2.153 288 E HA -0.204 4.147 4.350 0.002 0.000 0.194 288 E C 2.233 178.743 176.600 -0.150 0.000 0.988 288 E CA 1.256 57.566 56.400 -0.151 0.000 0.811 288 E CB -0.182 29.430 29.700 -0.146 0.000 0.746 288 E HN 0.497 nan 8.360 nan 0.000 0.466 289 Q N -0.577 119.012 119.800 -0.352 0.000 2.187 289 Q HA 0.072 4.413 4.340 0.002 0.000 0.199 289 Q C 2.065 177.974 176.000 -0.152 0.000 0.957 289 Q CA 1.180 56.808 55.803 -0.290 0.000 0.857 289 Q CB -0.196 28.261 28.738 -0.468 0.000 0.929 289 Q HN 0.383 nan 8.270 nan 0.000 0.453 290 A N 0.065 122.769 122.820 -0.193 0.000 1.969 290 A HA -0.214 4.107 4.320 0.002 0.000 0.218 290 A C 1.886 179.448 177.584 -0.037 0.000 1.169 290 A CA 1.791 53.759 52.037 -0.115 0.000 0.635 290 A CB -0.632 18.442 19.000 0.122 0.000 0.810 290 A HN 0.431 nan 8.150 nan 0.000 0.445 291 H N -1.370 117.697 119.070 -0.005 0.000 2.276 291 H HA -0.132 4.425 4.556 0.002 0.000 0.301 291 H C 1.739 177.215 175.328 0.246 0.000 1.073 291 H CA 2.175 58.339 56.048 0.193 0.000 1.311 291 H CB -0.521 29.321 29.762 0.133 0.000 1.379 291 H HN 0.441 nan 8.280 nan 0.000 0.494 292 F N 0.930 120.918 119.950 0.063 0.000 2.063 292 F HA -0.305 4.223 4.527 0.002 0.000 0.298 292 F C 2.580 178.330 175.800 -0.083 0.000 1.109 292 F CA 1.893 59.907 58.000 0.023 0.000 1.212 292 F CB -0.729 38.262 39.000 -0.014 0.000 0.973 292 F HN 0.321 nan 8.300 nan 0.000 0.480 293 A N -0.050 122.559 122.820 -0.351 0.000 1.997 293 A HA -0.236 4.085 4.320 0.002 0.000 0.221 293 A C 2.018 179.245 177.584 -0.595 0.000 1.172 293 A CA 2.221 53.791 52.037 -0.778 0.000 0.645 293 A CB -1.002 17.247 19.000 -1.252 0.000 0.813 293 A HN 0.598 nan 8.150 nan 0.000 0.454 294 L N -3.156 117.772 121.223 -0.492 0.000 2.349 294 L HA 0.342 4.684 4.340 0.002 0.000 0.200 294 L C 1.861 178.410 176.870 -0.534 0.000 1.064 294 L CA 1.026 55.541 54.840 -0.542 0.000 0.821 294 L CB -0.119 41.501 42.059 -0.732 0.000 1.027 294 L HN 0.276 nan 8.230 nan 0.000 0.476 295 F N -1.028 118.739 119.950 -0.306 0.000 2.661 295 F HA 0.040 4.569 4.527 0.002 0.000 0.298 295 F C 0.948 176.632 175.800 -0.193 0.000 1.137 295 F CA -0.131 57.696 58.000 -0.287 0.000 1.454 295 F CB -0.332 38.376 39.000 -0.486 0.000 1.103 295 F HN -0.074 nan 8.300 nan 0.000 0.577 296 F N 2.048 121.878 119.950 -0.201 0.000 2.629 296 F HA -0.038 4.490 4.527 0.003 0.000 0.377 296 F C 1.237 176.941 175.800 -0.160 0.000 1.101 296 F CA -0.022 57.862 58.000 -0.192 0.000 1.301 296 F CB 0.115 38.851 39.000 -0.440 0.000 1.062 296 F HN 0.085 nan 8.300 nan 0.000 0.583 297 N N 3.302 121.436 118.700 -0.944 0.000 2.740 297 N HA -0.296 4.445 4.740 0.002 0.000 0.248 297 N C -0.069 175.200 175.510 -0.402 0.000 1.062 297 N CA 1.350 53.958 53.050 -0.736 0.000 0.704 297 N CB -1.062 37.001 38.487 -0.707 0.000 0.968 297 N HN 0.750 nan 8.380 nan 0.000 0.547 298 Q N -2.129 117.511 119.800 -0.266 0.000 2.481 298 Q HA -0.176 4.165 4.340 0.002 0.000 0.272 298 Q C 1.168 177.083 176.000 -0.142 0.000 1.157 298 Q CA 2.108 57.829 55.803 -0.137 0.000 0.935 298 Q CB -1.827 26.835 28.738 -0.127 0.000 1.338 298 Q HN 1.117 nan 8.270 nan 0.000 0.494 299 G N -0.992 107.697 108.800 -0.186 0.000 2.168 299 G HA2 -0.398 3.563 3.960 0.002 0.000 0.263 299 G HA3 -0.398 3.563 3.960 0.002 0.000 0.263 299 G C 0.139 174.756 174.900 -0.471 0.000 0.977 299 G CA 0.501 45.449 45.100 -0.253 0.000 0.659 299 G HN 0.478 nan 8.290 nan 0.000 0.533 300 Q N -0.082 119.381 119.800 -0.562 0.000 3.207 300 Q HA 0.460 4.802 4.340 0.002 0.000 0.335 300 Q C -0.175 175.289 176.000 -0.893 0.000 1.374 300 Q CA -0.113 55.044 55.803 -1.076 0.000 1.023 300 Q CB 0.263 28.717 28.738 -0.473 0.000 1.576 300 Q HN 0.423 nan 8.270 nan 0.000 0.515 301 C N -0.665 118.223 119.300 -0.686 0.000 2.431 301 C HA 0.220 4.681 4.460 0.002 0.000 0.321 301 C C 1.638 176.711 174.990 0.138 0.000 1.202 301 C CA -0.964 58.018 59.018 -0.059 0.000 1.398 301 C CB 0.860 28.676 27.740 0.126 0.000 2.047 301 C HN 0.771 nan 8.230 nan 0.000 0.465 302 C N 0.984 120.496 119.300 0.353 0.000 2.411 302 C HA -0.133 4.328 4.460 0.002 0.000 0.279 302 C C 2.190 177.357 174.990 0.295 0.000 1.288 302 C CA 1.353 60.593 59.018 0.370 0.000 1.764 302 C CB -1.494 26.424 27.740 0.297 0.000 1.974 302 C HN 1.010 nan 8.230 nan 0.000 0.498 303 C N 0.364 119.891 119.300 0.379 0.000 2.688 303 C HA 0.694 5.155 4.460 0.002 0.000 0.297 303 C C 1.219 176.476 174.990 0.444 0.000 1.308 303 C CA -1.102 58.189 59.018 0.454 0.000 1.726 303 C CB -2.242 25.942 27.740 0.739 0.000 1.982 303 C HN 0.513 nan 8.230 nan 0.000 0.604 304 A N 1.207 124.178 122.820 0.251 0.000 2.587 304 A HA 0.426 4.748 4.320 0.002 0.000 0.235 304 A C 1.134 178.786 177.584 0.114 0.000 1.044 304 A CA 0.900 53.001 52.037 0.107 0.000 0.754 304 A CB -0.144 18.828 19.000 -0.046 0.000 0.968 304 A HN 1.183 nan 8.150 nan 0.000 0.509 305 G N 1.671 110.414 108.800 -0.094 0.000 2.916 305 G HA2 0.342 4.304 3.960 0.002 0.000 0.280 305 G HA3 0.342 4.304 3.960 0.002 0.000 0.280 305 G C 0.887 175.705 174.900 -0.137 0.000 0.758 305 G CA 0.389 45.409 45.100 -0.134 0.000 1.993 305 G HN 1.236 nan 8.290 nan 0.000 0.564 306 S N 1.002 116.671 115.700 -0.051 0.000 2.575 306 S HA 0.218 4.689 4.470 0.002 0.000 0.215 306 S C 0.912 175.464 174.600 -0.080 0.000 0.966 306 S CA -0.407 57.737 58.200 -0.094 0.000 0.911 306 S CB 0.473 63.629 63.200 -0.074 0.000 0.780 306 S HN 0.399 nan 8.310 nan 0.000 0.514 307 R N 1.720 122.192 120.500 -0.048 0.000 2.407 307 R HA 0.327 4.669 4.340 0.002 0.000 0.298 307 R C -1.248 174.955 176.300 -0.162 0.000 1.166 307 R CA -0.112 55.896 56.100 -0.153 0.000 1.006 307 R CB 1.419 31.663 30.300 -0.095 0.000 1.145 307 R HN 0.127 nan 8.270 nan 0.000 0.538 308 T N 4.194 118.634 114.554 -0.190 0.000 2.794 308 T HA 0.265 4.616 4.350 0.002 0.000 0.304 308 T C -0.205 174.419 174.700 -0.126 0.000 0.973 308 T CA -0.090 61.956 62.100 -0.089 0.000 0.972 308 T CB -0.132 68.713 68.868 -0.038 0.000 0.952 308 T HN 0.182 nan 8.240 nan 0.000 0.509 309 F N 2.638 122.625 119.950 0.063 0.000 2.424 309 F HA 0.455 4.984 4.527 0.003 0.000 0.356 309 F C 0.365 176.359 175.800 0.324 0.000 1.110 309 F CA -0.680 57.437 58.000 0.195 0.000 1.161 309 F CB 0.849 39.860 39.000 0.018 0.000 1.115 309 F HN 0.176 nan 8.300 nan 0.000 0.507 310 V N 3.627 123.820 119.914 0.465 0.000 2.588 310 V HA 0.265 4.387 4.120 0.002 0.000 0.304 310 V C -0.212 175.741 176.094 -0.235 0.000 1.042 310 V CA -1.174 61.177 62.300 0.084 0.000 0.877 310 V CB 1.681 33.337 31.823 -0.277 0.000 0.996 310 V HN 0.647 nan 8.190 nan 0.000 0.425 311 Q N 2.294 121.724 119.800 -0.616 0.000 2.330 311 Q HA 0.035 4.377 4.340 0.002 0.000 0.279 311 Q C 1.432 177.212 176.000 -0.367 0.000 1.024 311 Q CA 0.302 55.531 55.803 -0.957 0.000 0.900 311 Q CB 0.778 29.155 28.738 -0.601 0.000 1.221 311 Q HN 0.914 nan 8.270 nan 0.000 0.396 312 E N 2.157 122.158 120.200 -0.331 0.000 2.267 312 E HA -0.281 4.070 4.350 0.002 0.000 0.197 312 E C 0.168 176.743 176.600 -0.041 0.000 0.998 312 E CA 1.403 57.721 56.400 -0.137 0.000 0.830 312 E CB 0.116 29.726 29.700 -0.150 0.000 0.751 312 E HN 0.625 nan 8.360 nan 0.000 0.491 313 D N 1.060 121.423 120.400 -0.062 0.000 2.269 313 D HA -0.040 4.602 4.640 0.002 0.000 0.208 313 D C 1.859 178.177 176.300 0.030 0.000 0.963 313 D CA 1.128 55.121 54.000 -0.013 0.000 0.864 313 D CB 0.127 40.913 40.800 -0.023 0.000 0.936 313 D HN 0.617 nan 8.370 nan 0.000 0.505 314 I N -3.560 117.035 120.570 0.041 0.000 4.147 314 I HA 0.202 4.373 4.170 0.002 0.000 0.329 314 I C 1.667 177.863 176.117 0.131 0.000 1.424 314 I CA -0.569 60.780 61.300 0.082 0.000 1.127 314 I CB -0.028 38.019 38.000 0.078 0.000 1.128 314 I HN -0.237 nan 8.210 nan 0.000 0.417 315 Y N 2.857 123.156 120.300 -0.001 0.000 2.053 315 Y HA -0.312 4.239 4.550 0.002 0.000 0.277 315 Y C 2.061 178.021 175.900 0.101 0.000 1.159 315 Y CA 2.375 60.492 58.100 0.028 0.000 1.125 315 Y CB -0.170 38.280 38.460 -0.016 0.000 0.969 315 Y HN 0.205 nan 8.280 nan 0.000 0.492 316 D N 0.053 120.611 120.400 0.264 0.000 2.104 316 D HA -0.230 4.411 4.640 0.002 0.000 0.194 316 D C 2.104 178.428 176.300 0.040 0.000 0.994 316 D CA 1.820 55.910 54.000 0.149 0.000 0.830 316 D CB -0.507 40.394 40.800 0.167 0.000 0.959 316 D HN 0.655 nan 8.370 nan 0.000 0.452 317 E N -0.625 119.614 120.200 0.064 0.000 2.110 317 E HA -0.178 4.174 4.350 0.002 0.000 0.193 317 E C 2.024 178.636 176.600 0.019 0.000 0.988 317 E CA 0.479 56.902 56.400 0.038 0.000 0.804 317 E CB -0.198 29.535 29.700 0.055 0.000 0.745 317 E HN 0.230 nan 8.360 nan 0.000 0.458 318 F N 0.495 120.384 119.950 -0.103 0.000 2.146 318 F HA -0.180 4.348 4.527 0.002 0.000 0.298 318 F C 2.041 177.735 175.800 -0.177 0.000 1.096 318 F CA 1.187 59.109 58.000 -0.130 0.000 1.275 318 F CB -0.101 38.816 39.000 -0.139 0.000 1.008 318 F HN -0.110 nan 8.300 nan 0.000 0.480 319 V N 0.390 120.262 119.914 -0.070 0.000 2.295 319 V HA -0.318 3.803 4.120 0.002 0.000 0.246 319 V C 2.358 178.375 176.094 -0.129 0.000 1.049 319 V CA 2.308 64.519 62.300 -0.149 0.000 1.024 319 V CB -0.771 30.887 31.823 -0.275 0.000 0.648 319 V HN 0.425 nan 8.190 nan 0.000 0.447 320 E N 0.175 120.314 120.200 -0.102 0.000 2.077 320 E HA -0.260 4.092 4.350 0.002 0.000 0.193 320 E C 2.445 178.969 176.600 -0.126 0.000 0.989 320 E CA 1.433 57.782 56.400 -0.085 0.000 0.800 320 E CB -0.041 29.628 29.700 -0.052 0.000 0.746 320 E HN 0.511 nan 8.360 nan 0.000 0.452 321 R N -0.101 120.293 120.500 -0.178 0.000 2.092 321 R HA -0.039 4.302 4.340 0.002 0.000 0.231 321 R C 2.610 178.746 176.300 -0.274 0.000 1.119 321 R CA 1.453 57.418 56.100 -0.224 0.000 0.970 321 R CB -0.069 30.071 30.300 -0.268 0.000 0.864 321 R HN 0.052 nan 8.270 nan 0.000 0.440 322 S N -0.006 115.491 115.700 -0.338 0.000 2.368 322 S HA -0.080 4.392 4.470 0.002 0.000 0.224 322 S C 2.035 176.565 174.600 -0.116 0.000 1.029 322 S CA 1.068 59.112 58.200 -0.259 0.000 0.988 322 S CB -0.045 63.007 63.200 -0.246 0.000 0.838 322 S HN 0.059 nan 8.310 nan 0.000 0.462 323 V N 2.125 121.977 119.914 -0.104 0.000 2.343 323 V HA -0.190 3.932 4.120 0.002 0.000 0.247 323 V C 2.648 178.683 176.094 -0.099 0.000 1.051 323 V CA 1.659 63.916 62.300 -0.073 0.000 1.036 323 V CB -1.211 30.575 31.823 -0.062 0.000 0.654 323 V HN 0.528 nan 8.190 nan 0.000 0.451 324 A N 0.435 123.184 122.820 -0.118 0.000 1.883 324 A HA -0.279 4.042 4.320 0.002 0.000 0.217 324 A C 2.314 179.801 177.584 -0.161 0.000 1.186 324 A CA 2.301 54.264 52.037 -0.124 0.000 0.624 324 A CB -0.541 18.388 19.000 -0.118 0.000 0.822 324 A HN 0.463 nan 8.150 nan 0.000 0.444 325 R N 0.091 120.464 120.500 -0.211 0.000 2.092 325 R HA 0.037 4.378 4.340 0.002 0.000 0.231 325 R C 2.098 178.178 176.300 -0.367 0.000 1.119 325 R CA 1.797 57.700 56.100 -0.328 0.000 0.970 325 R CB -0.839 29.205 30.300 -0.427 0.000 0.864 325 R HN 0.392 nan 8.270 nan 0.000 0.440 326 A N 0.846 123.531 122.820 -0.225 0.000 1.902 326 A HA -0.142 4.179 4.320 0.002 0.000 0.217 326 A C 1.890 179.357 177.584 -0.194 0.000 1.181 326 A CA 1.670 53.581 52.037 -0.210 0.000 0.623 326 A CB -0.383 18.558 19.000 -0.098 0.000 0.818 326 A HN 0.396 nan 8.150 nan 0.000 0.443 327 K N 0.414 120.726 120.400 -0.146 0.000 2.211 327 K HA -0.087 4.234 4.320 0.002 0.000 0.203 327 K C 2.027 178.556 176.600 -0.118 0.000 1.050 327 K CA 1.460 57.678 56.287 -0.116 0.000 0.945 327 K CB -0.163 32.282 32.500 -0.092 0.000 0.732 327 K HN 0.632 nan 8.250 nan 0.000 0.451 328 S N 0.743 116.358 115.700 -0.142 0.000 2.558 328 S HA -0.007 4.464 4.470 0.002 0.000 0.217 328 S C 0.822 175.346 174.600 -0.125 0.000 0.975 328 S CA -0.383 57.741 58.200 -0.125 0.000 0.912 328 S CB -0.047 63.075 63.200 -0.131 0.000 0.776 328 S HN 0.132 nan 8.310 nan 0.000 0.526 329 R N 1.975 122.384 120.500 -0.150 0.000 2.404 329 R HA 0.229 4.570 4.340 0.002 0.000 0.315 329 R C -0.908 175.346 176.300 -0.077 0.000 1.032 329 R CA -0.138 55.894 56.100 -0.114 0.000 0.992 329 R CB 0.224 30.439 30.300 -0.141 0.000 0.959 329 R HN 0.189 nan 8.270 nan 0.000 0.428 330 V N 6.038 125.923 119.914 -0.048 0.000 2.555 330 V HA 0.130 4.251 4.120 0.002 0.000 0.286 330 V C 0.233 176.317 176.094 -0.017 0.000 1.044 330 V CA -0.231 62.047 62.300 -0.037 0.000 1.026 330 V CB 1.283 33.090 31.823 -0.027 0.000 0.981 330 V HN 0.474 nan 8.190 nan 0.000 0.480 331 V N 4.066 123.965 119.914 -0.024 0.000 2.628 331 V HA 1.040 5.162 4.120 0.002 0.000 0.306 331 V C 0.583 176.630 176.094 -0.078 0.000 1.045 331 V CA 0.542 62.849 62.300 0.012 0.000 0.905 331 V CB 1.243 33.087 31.823 0.035 0.000 0.997 331 V HN 1.240 nan 8.190 nan 0.000 0.436 332 G N 2.943 111.715 108.800 -0.046 0.000 2.373 332 G HA2 0.025 3.986 3.960 0.002 0.000 0.250 332 G HA3 0.025 3.986 3.960 0.002 0.000 0.250 332 G C -0.862 174.064 174.900 0.042 0.000 1.304 332 G CA -0.629 44.319 45.100 -0.254 0.000 0.948 332 G HN 0.728 nan 8.290 nan 0.000 0.474 333 N N 2.371 121.071 118.700 -0.001 0.000 2.386 333 N HA 0.151 4.893 4.740 0.002 0.000 0.273 333 N C -0.486 175.093 175.510 0.115 0.000 1.331 333 N CA -0.857 52.262 53.050 0.115 0.000 0.891 333 N CB 1.223 39.756 38.487 0.077 0.000 1.139 333 N HN 0.166 nan 8.380 nan 0.000 0.487 334 P HA -0.150 nan 4.420 nan 0.000 0.221 334 P C 0.787 178.008 177.300 -0.132 0.000 1.145 334 P CA 1.297 64.355 63.100 -0.071 0.000 0.795 334 P CB -0.050 31.520 31.700 -0.217 0.000 0.775 335 F N -0.266 119.711 119.950 0.045 0.000 2.789 335 F HA 0.068 4.597 4.527 0.002 0.000 0.300 335 F C 0.789 176.595 175.800 0.011 0.000 1.132 335 F CA 0.027 58.033 58.000 0.011 0.000 1.404 335 F CB -0.360 38.596 39.000 -0.074 0.000 1.114 335 F HN -0.205 nan 8.300 nan 0.000 0.584 336 D N -0.260 120.234 120.400 0.157 0.000 2.308 336 D HA 0.033 4.675 4.640 0.002 0.000 0.251 336 D C 1.369 177.718 176.300 0.082 0.000 1.127 336 D CA 0.129 54.184 54.000 0.093 0.000 0.876 336 D CB 1.411 42.242 40.800 0.052 0.000 1.176 336 D HN 0.032 nan 8.370 nan 0.000 0.446 337 S N 2.220 117.965 115.700 0.075 0.000 2.447 337 S HA -0.173 4.298 4.470 0.002 0.000 0.233 337 S C 1.258 175.887 174.600 0.047 0.000 1.006 337 S CA 0.817 59.060 58.200 0.072 0.000 0.957 337 S CB -0.034 63.204 63.200 0.063 0.000 0.773 337 S HN 0.349 nan 8.310 nan 0.000 0.507 338 K N 1.040 121.459 120.400 0.032 0.000 2.418 338 K HA 0.142 4.464 4.320 0.002 0.000 0.195 338 K C 0.125 176.734 176.600 0.016 0.000 1.035 338 K CA 0.344 56.642 56.287 0.018 0.000 1.003 338 K CB -0.061 32.441 32.500 0.004 0.000 0.793 338 K HN 0.254 nan 8.250 nan 0.000 0.494 339 T N 1.854 116.422 114.554 0.024 0.000 2.853 339 T HA 0.035 4.387 4.350 0.002 0.000 0.298 339 T C 0.744 175.458 174.700 0.024 0.000 0.978 339 T CA 0.236 62.349 62.100 0.023 0.000 1.152 339 T CB 1.006 69.895 68.868 0.035 0.000 0.914 339 T HN 0.190 nan 8.240 nan 0.000 0.539 340 E N 1.654 121.868 120.200 0.022 0.000 2.340 340 E HA 0.058 4.409 4.350 0.002 0.000 0.198 340 E C 0.740 177.347 176.600 0.012 0.000 0.961 340 E CA 0.142 56.559 56.400 0.029 0.000 0.905 340 E CB 0.617 30.342 29.700 0.042 0.000 0.884 340 E HN 0.560 nan 8.360 nan 0.000 0.491 341 Q N 0.347 120.162 119.800 0.024 0.000 2.275 341 Q HA 0.405 4.746 4.340 0.002 0.000 0.266 341 Q C -0.516 175.542 176.000 0.096 0.000 1.002 341 Q CA -0.596 55.222 55.803 0.025 0.000 0.761 341 Q CB 1.687 30.446 28.738 0.035 0.000 1.255 341 Q HN 0.128 nan 8.270 nan 0.000 0.446 342 G N 3.227 112.039 108.800 0.020 0.000 2.509 342 G HA2 0.547 4.508 3.960 0.002 0.000 0.269 342 G HA3 0.547 4.508 3.960 0.002 0.000 0.269 342 G C -2.494 172.282 174.900 -0.207 0.000 1.416 342 G CA -0.925 44.187 45.100 0.020 0.000 1.052 342 G HN 0.564 nan 8.290 nan 0.000 0.542 343 P HA 0.218 nan 4.420 nan 0.000 0.278 343 P C -0.680 176.423 177.300 -0.329 0.000 1.258 343 P CA -0.498 62.066 63.100 -0.893 0.000 0.811 343 P CB 0.983 32.008 31.700 -1.126 0.000 1.063 344 Q N 0.098 119.810 119.800 -0.148 0.000 2.535 344 Q HA 0.052 4.393 4.340 0.002 0.000 0.228 344 Q C 1.248 177.160 176.000 -0.147 0.000 1.062 344 Q CA -0.296 55.468 55.803 -0.064 0.000 0.967 344 Q CB -0.024 28.755 28.738 0.069 0.000 1.273 344 Q HN 0.209 nan 8.270 nan 0.000 0.554 345 V N 0.082 119.834 119.914 -0.271 0.000 2.548 345 V HA -0.130 3.992 4.120 0.002 0.000 0.249 345 V C 0.168 176.007 176.094 -0.424 0.000 1.055 345 V CA 2.368 64.417 62.300 -0.418 0.000 1.065 345 V CB -0.030 31.265 31.823 -0.879 0.000 0.681 345 V HN 0.966 nan 8.190 nan 0.000 0.462 346 D N -3.119 116.941 120.400 -0.567 0.000 2.779 346 D HA 0.080 4.721 4.640 0.002 0.000 0.331 346 D C 0.679 176.299 176.300 -1.134 0.000 1.331 346 D CA -0.056 53.482 54.000 -0.771 0.000 0.866 346 D CB 0.666 41.158 40.800 -0.513 0.000 1.409 346 D HN -0.044 nan 8.370 nan 0.000 0.486 347 E N -0.524 119.031 120.200 -1.075 0.000 2.047 347 E HA -0.145 4.207 4.350 0.002 0.000 0.191 347 E C 1.287 177.731 176.600 -0.261 0.000 0.987 347 E CA 1.821 57.805 56.400 -0.693 0.000 0.799 347 E CB -0.074 29.468 29.700 -0.263 0.000 0.752 347 E HN 0.520 nan 8.360 nan 0.000 0.449 348 T N 1.257 115.670 114.554 -0.234 0.000 2.635 348 T HA -0.199 4.153 4.350 0.002 0.000 0.267 348 T C 1.820 176.472 174.700 -0.081 0.000 1.040 348 T CA 1.414 63.438 62.100 -0.127 0.000 1.156 348 T CB -0.188 68.605 68.868 -0.125 0.000 0.863 348 T HN 0.167 nan 8.240 nan 0.000 0.430 349 Q N -0.016 119.711 119.800 -0.122 0.000 2.050 349 Q HA -0.028 4.314 4.340 0.002 0.000 0.202 349 Q C 2.093 178.120 176.000 0.045 0.000 0.980 349 Q CA 1.183 56.978 55.803 -0.012 0.000 0.840 349 Q CB -0.804 27.899 28.738 -0.058 0.000 0.898 349 Q HN 0.539 nan 8.270 nan 0.000 0.424 350 F N 2.038 121.882 119.950 -0.177 0.000 2.063 350 F HA -0.284 4.244 4.527 0.002 0.000 0.298 350 F C 2.065 177.853 175.800 -0.020 0.000 1.109 350 F CA 1.843 59.791 58.000 -0.086 0.000 1.212 350 F CB -0.051 38.869 39.000 -0.133 0.000 0.973 350 F HN 0.007 nan 8.300 nan 0.000 0.480 351 K N -0.201 120.201 120.400 0.003 0.000 2.097 351 K HA -0.202 4.119 4.320 0.002 0.000 0.205 351 K C 2.143 178.686 176.600 -0.095 0.000 1.050 351 K CA 1.527 57.768 56.287 -0.076 0.000 0.938 351 K CB -0.264 32.236 32.500 0.000 0.000 0.718 351 K HN 0.222 nan 8.250 nan 0.000 0.442 352 K N 1.436 121.807 120.400 -0.048 0.000 2.097 352 K HA -0.069 4.252 4.320 0.002 0.000 0.205 352 K C 1.920 178.532 176.600 0.021 0.000 1.050 352 K CA 0.908 57.167 56.287 -0.048 0.000 0.938 352 K CB 0.021 32.538 32.500 0.027 0.000 0.718 352 K HN 0.028 nan 8.250 nan 0.000 0.442 353 I N 0.838 121.453 120.570 0.076 0.000 2.202 353 I HA -0.280 3.891 4.170 0.002 0.000 0.242 353 I C 2.059 178.211 176.117 0.059 0.000 1.091 353 I CA 1.068 62.452 61.300 0.140 0.000 1.368 353 I CB -0.224 37.828 38.000 0.086 0.000 1.058 353 I HN 0.159 nan 8.210 nan 0.000 0.410 354 L N 0.514 121.676 121.223 -0.101 0.000 2.127 354 L HA -0.158 4.184 4.340 0.002 0.000 0.211 354 L C 2.659 179.499 176.870 -0.051 0.000 1.089 354 L CA 1.478 56.248 54.840 -0.116 0.000 0.757 354 L CB -1.140 40.763 42.059 -0.259 0.000 0.899 354 L HN 0.348 nan 8.230 nan 0.000 0.434 355 G N -1.071 107.676 108.800 -0.088 0.000 2.418 355 G HA2 -0.278 3.683 3.960 0.002 0.000 0.217 355 G HA3 -0.278 3.683 3.960 0.002 0.000 0.217 355 G C 1.382 176.216 174.900 -0.109 0.000 1.158 355 G CA 0.555 45.574 45.100 -0.134 0.000 0.771 355 G HN 0.317 nan 8.290 nan 0.000 0.545 356 Y N 0.275 120.578 120.300 0.004 0.000 2.263 356 Y HA 0.074 4.626 4.550 0.003 0.000 0.292 356 Y C 2.737 178.650 175.900 0.021 0.000 1.130 356 Y CA 0.362 58.467 58.100 0.007 0.000 1.179 356 Y CB 0.005 38.480 38.460 0.026 0.000 0.998 356 Y HN 0.107 nan 8.280 nan 0.000 0.532 357 I N 0.135 120.849 120.570 0.240 0.000 2.286 357 I HA -0.353 3.819 4.170 0.002 0.000 0.248 357 I C 2.452 178.703 176.117 0.224 0.000 1.115 357 I CA 1.370 62.853 61.300 0.306 0.000 1.392 357 I CB -0.431 37.713 38.000 0.241 0.000 1.065 357 I HN 0.375 nan 8.210 nan 0.000 0.418 358 N N 0.608 119.373 118.700 0.108 0.000 2.120 358 N HA -0.210 4.532 4.740 0.002 0.000 0.188 358 N C 1.941 177.471 175.510 0.034 0.000 1.024 358 N CA 2.330 55.417 53.050 0.061 0.000 0.852 358 N CB 0.029 38.524 38.487 0.013 0.000 1.003 358 N HN 0.446 nan 8.380 nan 0.000 0.424 359 T N -2.098 112.464 114.554 0.013 0.000 2.746 359 T HA -0.024 4.328 4.350 0.002 0.000 0.267 359 T C 2.102 176.759 174.700 -0.071 0.000 1.039 359 T CA 1.386 63.479 62.100 -0.012 0.000 1.142 359 T CB -1.092 67.787 68.868 0.018 0.000 0.866 359 T HN 0.219 nan 8.240 nan 0.000 0.444 360 G N 1.904 110.603 108.800 -0.169 0.000 2.469 360 G HA2 -0.213 3.749 3.960 0.002 0.000 0.219 360 G HA3 -0.213 3.749 3.960 0.002 0.000 0.219 360 G C 1.720 176.463 174.900 -0.261 0.000 1.150 360 G CA 0.891 45.678 45.100 -0.522 0.000 0.763 360 G HN 0.575 nan 8.290 nan 0.000 0.561 361 K N -0.304 120.107 120.400 0.020 0.000 2.025 361 K HA -0.024 4.297 4.320 0.002 0.000 0.207 361 K C 2.681 179.310 176.600 0.047 0.000 1.049 361 K CA 0.943 57.305 56.287 0.125 0.000 0.933 361 K CB -0.174 32.427 32.500 0.167 0.000 0.714 361 K HN 0.133 nan 8.250 nan 0.000 0.438 362 Q N 1.080 120.892 119.800 0.020 0.000 2.135 362 Q HA -0.164 4.177 4.340 0.002 0.000 0.204 362 Q C 1.334 177.333 176.000 -0.002 0.000 0.981 362 Q CA 1.508 57.317 55.803 0.009 0.000 0.856 362 Q CB 0.023 28.762 28.738 0.002 0.000 0.902 362 Q HN 0.452 nan 8.270 nan 0.000 0.425 363 E N -1.197 118.989 120.200 -0.023 0.000 2.479 363 E HA 0.147 4.498 4.350 0.002 0.000 0.193 363 E C 0.530 177.120 176.600 -0.018 0.000 1.049 363 E CA 0.320 56.705 56.400 -0.026 0.000 0.870 363 E CB 0.426 30.099 29.700 -0.045 0.000 0.944 363 E HN 0.464 nan 8.360 nan 0.000 0.492 364 G N 1.206 110.005 108.800 -0.002 0.000 2.134 364 G HA2 -0.256 3.706 3.960 0.002 0.000 0.209 364 G HA3 -0.256 3.706 3.960 0.002 0.000 0.209 364 G C 0.230 175.153 174.900 0.038 0.000 0.993 364 G CA -0.075 45.039 45.100 0.023 0.000 0.669 364 G HN 0.400 nan 8.290 nan 0.000 0.519 365 A N -0.041 122.790 122.820 0.019 0.000 2.401 365 A HA 0.677 4.999 4.320 0.002 0.000 0.259 365 A C 0.609 178.348 177.584 0.258 0.000 1.103 365 A CA 0.450 52.532 52.037 0.075 0.000 0.789 365 A CB 0.453 19.375 19.000 -0.130 0.000 1.035 365 A HN 0.795 nan 8.150 nan 0.000 0.491 366 K N 2.540 123.088 120.400 0.248 0.000 2.294 366 K HA 0.214 4.535 4.320 0.002 0.000 0.288 366 K C -0.444 176.305 176.600 0.248 0.000 1.072 366 K CA -0.135 56.282 56.287 0.216 0.000 0.960 366 K CB -0.189 32.401 32.500 0.150 0.000 1.043 366 K HN 0.559 nan 8.250 nan 0.000 0.455 367 L N 6.482 127.810 121.223 0.176 0.000 2.485 367 L HA 0.118 4.459 4.340 0.002 0.000 0.279 367 L C 0.018 176.819 176.870 -0.114 0.000 1.124 367 L CA 0.565 55.314 54.840 -0.151 0.000 0.888 367 L CB 0.244 42.224 42.059 -0.132 0.000 1.217 367 L HN 0.848 nan 8.230 nan 0.000 0.464 368 L N 4.778 125.914 121.223 -0.144 0.000 2.416 368 L HA 0.187 4.528 4.340 0.002 0.000 0.216 368 L C 0.562 177.381 176.870 -0.086 0.000 1.098 368 L CA 0.244 55.041 54.840 -0.072 0.000 0.840 368 L CB -0.131 41.907 42.059 -0.035 0.000 0.981 368 L HN 0.836 nan 8.230 nan 0.000 0.462 369 C N -3.325 115.896 119.300 -0.132 0.000 3.275 369 C HA 0.751 5.213 4.460 0.002 0.000 0.340 369 C C 0.743 175.658 174.990 -0.126 0.000 1.366 369 C CA -0.573 58.383 59.018 -0.103 0.000 1.227 369 C CB 0.840 28.535 27.740 -0.076 0.000 1.512 369 C HN 0.598 nan 8.230 nan 0.000 0.461 370 G N 0.772 109.521 108.800 -0.085 0.000 2.566 370 G HA2 0.338 4.299 3.960 0.002 0.000 0.280 370 G HA3 0.338 4.299 3.960 0.002 0.000 0.280 370 G C 1.205 176.057 174.900 -0.079 0.000 1.225 370 G CA 2.344 47.404 45.100 -0.066 0.000 0.966 370 G HN 3.299 nan 8.290 nan 0.000 0.560 371 G N -2.729 106.033 108.800 -0.064 0.000 2.296 371 G HA2 0.516 4.477 3.960 0.002 0.000 0.188 371 G HA3 0.516 4.477 3.960 0.002 0.000 0.188 371 G C 1.347 176.246 174.900 -0.000 0.000 1.000 371 G CA 0.923 45.993 45.100 -0.050 0.000 0.672 371 G HN 2.658 nan 8.290 nan 0.000 0.483 372 G N -0.722 108.082 108.800 0.006 0.000 2.731 372 G HA2 0.614 4.575 3.960 0.002 0.000 0.309 372 G HA3 0.614 4.575 3.960 0.002 0.000 0.309 372 G C -0.460 174.470 174.900 0.050 0.000 1.273 372 G CA -0.454 44.653 45.100 0.013 0.000 0.798 372 G HN 0.699 nan 8.290 nan 0.000 0.509 373 I N 1.233 121.852 120.570 0.083 0.000 2.845 373 I HA 0.184 4.355 4.170 0.002 0.000 0.296 373 I C 1.447 177.656 176.117 0.153 0.000 1.216 373 I CA 0.798 62.217 61.300 0.198 0.000 1.438 373 I CB 1.243 39.391 38.000 0.247 0.000 1.342 373 I HN 0.573 nan 8.210 nan 0.000 0.577 374 A N 4.980 127.917 122.820 0.196 0.000 2.431 374 A HA 0.745 5.067 4.320 0.002 0.000 0.239 374 A C 0.583 178.183 177.584 0.026 0.000 1.230 374 A CA 0.552 52.653 52.037 0.106 0.000 0.928 374 A CB 0.252 19.327 19.000 0.125 0.000 1.006 374 A HN 0.811 nan 8.150 nan 0.000 0.520 375 A N -0.804 122.052 122.820 0.060 0.000 2.604 375 A HA 0.556 4.877 4.320 0.002 0.000 0.295 375 A C -0.823 176.768 177.584 0.012 0.000 1.067 375 A CA -0.326 51.680 52.037 -0.052 0.000 0.683 375 A CB 0.496 19.334 19.000 -0.270 0.000 1.281 375 A HN -0.064 nan 8.150 nan 0.000 0.407 376 D N 0.034 120.416 120.400 -0.030 0.000 2.363 376 D HA 0.067 4.709 4.640 0.002 0.000 0.220 376 D C 0.553 176.830 176.300 -0.037 0.000 0.994 376 D CA 1.062 55.052 54.000 -0.017 0.000 0.890 376 D CB 0.277 41.061 40.800 -0.027 0.000 0.906 376 D HN 0.477 nan 8.370 nan 0.000 0.530 377 R N -0.394 120.080 120.500 -0.045 0.000 2.621 377 R HA 0.489 4.831 4.340 0.002 0.000 0.284 377 R C -0.480 175.821 176.300 0.002 0.000 0.998 377 R CA -0.201 55.857 56.100 -0.069 0.000 0.895 377 R CB 1.627 31.887 30.300 -0.066 0.000 1.195 377 R HN 0.058 nan 8.270 nan 0.000 0.450 378 G N 2.178 110.860 108.800 -0.197 0.000 2.712 378 G HA2 -0.254 3.707 3.960 0.002 0.000 0.686 378 G HA3 -0.254 3.707 3.960 0.002 0.000 0.686 378 G C -0.951 173.651 174.900 -0.497 0.000 1.321 378 G CA -0.574 44.335 45.100 -0.318 0.000 0.813 378 G HN 0.622 nan 8.290 nan 0.000 0.599 379 Y N 0.017 120.026 120.300 -0.485 0.000 3.040 379 Y HA 0.439 4.990 4.550 0.002 0.000 0.392 379 Y C 0.952 176.702 175.900 -0.249 0.000 1.105 379 Y CA -0.463 57.228 58.100 -0.682 0.000 1.950 379 Y CB -0.324 37.809 38.460 -0.544 0.000 2.014 379 Y HN 0.340 nan 8.280 nan 0.000 0.433 380 F N 1.446 121.444 119.950 0.081 0.000 2.420 380 F HA 0.378 4.907 4.527 0.002 0.000 0.352 380 F C 0.345 176.332 175.800 0.311 0.000 1.108 380 F CA -0.606 57.492 58.000 0.163 0.000 1.162 380 F CB 0.486 39.518 39.000 0.054 0.000 1.118 380 F HN 0.035 nan 8.300 nan 0.000 0.510 381 I N 2.876 123.677 120.570 0.384 0.000 2.530 381 I HA 0.245 4.416 4.170 0.002 0.000 0.297 381 I C -0.379 175.845 176.117 0.178 0.000 1.011 381 I CA -1.074 60.380 61.300 0.256 0.000 1.107 381 I CB 1.939 40.036 38.000 0.162 0.000 1.285 381 I HN 0.514 nan 8.210 nan 0.000 0.436 382 Q N 5.418 125.288 119.800 0.118 0.000 2.364 382 Q HA 0.182 4.523 4.340 0.002 0.000 0.267 382 Q C -2.295 173.743 176.000 0.063 0.000 0.999 382 Q CA -1.561 54.281 55.803 0.066 0.000 0.886 382 Q CB 0.073 28.828 28.738 0.028 0.000 1.243 382 Q HN 0.251 nan 8.270 nan 0.000 0.415 383 P HA -0.041 nan 4.420 nan 0.000 0.262 383 P C -1.105 176.233 177.300 0.063 0.000 1.199 383 P CA 0.537 63.645 63.100 0.014 0.000 0.763 383 P CB 0.531 32.054 31.700 -0.294 0.000 0.790 384 T N 3.011 117.678 114.554 0.189 0.000 2.824 384 T HA 0.456 4.807 4.350 0.002 0.000 0.282 384 T C -0.439 174.285 174.700 0.041 0.000 0.993 384 T CA -0.443 61.671 62.100 0.022 0.000 0.967 384 T CB 1.071 69.919 68.868 -0.035 0.000 0.960 384 T HN -0.058 nan 8.240 nan 0.000 0.441 385 V N 3.949 123.799 119.914 -0.106 0.000 2.444 385 V HA 0.509 4.630 4.120 0.002 0.000 0.294 385 V C -0.999 174.970 176.094 -0.208 0.000 1.022 385 V CA -0.890 61.381 62.300 -0.048 0.000 0.850 385 V CB 1.069 32.911 31.823 0.031 0.000 0.992 385 V HN 0.830 nan 8.190 nan 0.000 0.426 386 F N 2.614 122.591 119.950 0.045 0.000 2.415 386 F HA 0.739 5.268 4.527 0.002 0.000 0.348 386 F C 0.991 176.820 175.800 0.048 0.000 1.119 386 F CA -0.230 57.795 58.000 0.040 0.000 1.069 386 F CB 1.884 40.901 39.000 0.028 0.000 1.124 386 F HN 0.585 nan 8.300 nan 0.000 0.472 387 G N 0.847 109.791 108.800 0.240 0.000 2.461 387 G HA2 0.403 4.365 3.960 0.002 0.000 0.329 387 G HA3 0.403 4.365 3.960 0.002 0.000 0.329 387 G C -0.735 174.307 174.900 0.236 0.000 1.170 387 G CA -0.687 44.542 45.100 0.215 0.000 0.935 387 G HN 0.750 nan 8.290 nan 0.000 0.492 388 D N -1.420 119.162 120.400 0.304 0.000 2.751 388 D HA -0.180 4.461 4.640 0.002 0.000 0.233 388 D C 0.639 177.001 176.300 0.104 0.000 1.149 388 D CA 0.627 54.736 54.000 0.182 0.000 0.682 388 D CB -1.100 39.776 40.800 0.126 0.000 1.068 388 D HN 0.298 nan 8.370 nan 0.000 0.429 389 V N 0.425 120.396 119.914 0.096 0.000 2.740 389 V HA 0.056 4.177 4.120 0.002 0.000 0.303 389 V C 0.868 176.967 176.094 0.008 0.000 1.054 389 V CA 0.199 62.516 62.300 0.029 0.000 1.106 389 V CB 1.263 33.082 31.823 -0.005 0.000 0.957 389 V HN 0.118 nan 8.190 nan 0.000 0.486 390 Q N 1.947 121.746 119.800 -0.001 0.000 2.266 390 Q HA 0.314 4.655 4.340 0.002 0.000 0.261 390 Q C 0.505 176.512 176.000 0.012 0.000 0.985 390 Q CA -0.736 55.074 55.803 0.013 0.000 0.873 390 Q CB 1.437 30.183 28.738 0.013 0.000 1.306 390 Q HN 0.651 nan 8.270 nan 0.000 0.447 391 D N 1.411 121.836 120.400 0.043 0.000 2.190 391 D HA -0.126 4.515 4.640 0.002 0.000 0.200 391 D C 1.444 177.765 176.300 0.036 0.000 0.992 391 D CA 1.628 55.664 54.000 0.060 0.000 0.854 391 D CB 0.022 40.879 40.800 0.094 0.000 0.936 391 D HN 0.820 nan 8.370 nan 0.000 0.462 392 G N -0.535 108.279 108.800 0.024 0.000 2.813 392 G HA2 0.009 3.970 3.960 0.002 0.000 0.209 392 G HA3 0.009 3.970 3.960 0.002 0.000 0.209 392 G C 0.711 175.615 174.900 0.005 0.000 1.150 392 G CA -0.212 44.898 45.100 0.016 0.000 0.785 392 G HN 0.163 nan 8.290 nan 0.000 0.535 393 M N 0.553 120.149 119.600 -0.007 0.000 2.243 393 M HA 0.157 4.638 4.480 0.002 0.000 0.341 393 M C 1.811 178.099 176.300 -0.020 0.000 1.130 393 M CA -0.134 55.150 55.300 -0.027 0.000 1.162 393 M CB 1.170 33.733 32.600 -0.061 0.000 1.497 393 M HN -0.073 nan 8.290 nan 0.000 0.456 394 T N 2.500 117.048 114.554 -0.009 0.000 2.759 394 T HA -0.123 4.228 4.350 0.002 0.000 0.269 394 T C 1.489 176.190 174.700 0.002 0.000 1.042 394 T CA 1.634 63.754 62.100 0.034 0.000 1.140 394 T CB -0.471 68.448 68.868 0.086 0.000 0.864 394 T HN 0.749 nan 8.240 nan 0.000 0.455 395 I N -0.541 119.989 120.570 -0.066 0.000 3.001 395 I HA 0.221 4.392 4.170 0.002 0.000 0.268 395 I C 2.283 178.333 176.117 -0.112 0.000 1.267 395 I CA 0.742 61.961 61.300 -0.135 0.000 1.472 395 I CB -0.362 37.500 38.000 -0.231 0.000 1.089 395 I HN 0.066 nan 8.210 nan 0.000 0.468 396 A N 0.995 123.773 122.820 -0.071 0.000 2.195 396 A HA 0.164 4.485 4.320 0.002 0.000 0.210 396 A C 2.208 179.795 177.584 0.005 0.000 1.165 396 A CA 0.363 52.374 52.037 -0.044 0.000 0.806 396 A CB -0.072 18.907 19.000 -0.034 0.000 0.847 396 A HN 0.422 nan 8.150 nan 0.000 0.482 397 K N -0.362 120.046 120.400 0.012 0.000 2.325 397 K HA 0.152 4.474 4.320 0.002 0.000 0.203 397 K C -0.091 176.569 176.600 0.099 0.000 1.128 397 K CA 0.243 56.565 56.287 0.058 0.000 0.931 397 K CB 0.446 32.972 32.500 0.043 0.000 1.125 397 K HN 0.427 nan 8.250 nan 0.000 0.487 398 E N 1.817 122.042 120.200 0.043 0.000 2.242 398 E HA 0.087 4.439 4.350 0.002 0.000 0.275 398 E C -0.902 175.647 176.600 -0.084 0.000 1.002 398 E CA -0.331 56.105 56.400 0.060 0.000 0.841 398 E CB 1.647 31.405 29.700 0.097 0.000 1.109 398 E HN 0.081 nan 8.360 nan 0.000 0.394 399 E N 2.617 122.822 120.200 0.008 0.000 2.299 399 E HA 0.000 4.352 4.350 0.002 0.000 0.272 399 E C 0.234 176.718 176.600 -0.194 0.000 1.043 399 E CA 0.014 56.366 56.400 -0.081 0.000 0.895 399 E CB 0.434 30.092 29.700 -0.070 0.000 1.011 399 E HN 0.517 nan 8.360 nan 0.000 0.432 400 I N 4.366 124.795 120.570 -0.235 0.000 2.585 400 I HA -0.041 4.130 4.170 0.002 0.000 0.254 400 I C 0.491 176.702 176.117 0.156 0.000 1.129 400 I CA 0.047 61.187 61.300 -0.266 0.000 1.455 400 I CB 0.138 37.986 38.000 -0.253 0.000 1.111 400 I HN 0.703 nan 8.210 nan 0.000 0.433 401 F N 1.551 121.470 119.950 -0.051 0.000 3.080 401 F HA -0.185 4.344 4.527 0.002 0.000 0.292 401 F C 0.354 176.188 175.800 0.057 0.000 0.891 401 F CA 0.595 58.606 58.000 0.019 0.000 1.086 401 F CB -1.303 37.745 39.000 0.080 0.000 1.095 401 F HN 0.147 nan 8.300 nan 0.000 0.633 402 G N -0.871 107.946 108.800 0.029 0.000 2.721 402 G HA2 0.653 4.615 3.960 0.002 0.000 0.296 402 G HA3 0.653 4.615 3.960 0.002 0.000 0.296 402 G C -3.110 171.775 174.900 -0.025 0.000 1.383 402 G CA -0.846 44.265 45.100 0.019 0.000 0.788 402 G HN -0.204 nan 8.290 nan 0.000 0.500 403 P HA 0.346 nan 4.420 nan 0.000 0.220 403 P C -0.661 176.731 177.300 0.153 0.000 1.806 403 P CA -0.242 62.948 63.100 0.149 0.000 0.976 403 P CB 0.403 32.289 31.700 0.310 0.000 1.952 404 V N 2.569 122.470 119.914 -0.021 0.000 2.409 404 V HA 0.361 4.482 4.120 0.002 0.000 0.290 404 V C 0.101 176.151 176.094 -0.073 0.000 1.017 404 V CA -0.615 61.714 62.300 0.048 0.000 0.841 404 V CB 1.941 33.848 31.823 0.139 0.000 1.003 404 V HN 0.296 nan 8.190 nan 0.000 0.426 405 M N 3.976 123.540 119.600 -0.060 0.000 2.188 405 M HA 0.521 5.003 4.480 0.002 0.000 0.357 405 M C -0.687 175.642 176.300 0.049 0.000 1.204 405 M CA -0.417 54.813 55.300 -0.116 0.000 1.095 405 M CB 1.294 33.832 32.600 -0.103 0.000 1.604 405 M HN 0.625 nan 8.290 nan 0.000 0.464 406 Q N 5.136 124.931 119.800 -0.009 0.000 2.347 406 Q HA 0.546 4.887 4.340 0.002 0.000 0.262 406 Q C -1.173 174.813 176.000 -0.024 0.000 0.980 406 Q CA 0.105 55.916 55.803 0.014 0.000 0.867 406 Q CB 1.320 30.024 28.738 -0.056 0.000 1.242 406 Q HN 0.663 nan 8.270 nan 0.000 0.453 407 I N 4.086 124.680 120.570 0.039 0.000 2.339 407 I HA 0.397 4.568 4.170 0.002 0.000 0.290 407 I C -0.817 175.355 176.117 0.090 0.000 0.994 407 I CA -0.883 60.442 61.300 0.041 0.000 1.191 407 I CB 0.809 38.850 38.000 0.069 0.000 1.343 407 I HN 0.324 nan 8.210 nan 0.000 0.458 408 L N 6.444 127.675 121.223 0.014 0.000 2.341 408 L HA 0.544 4.886 4.340 0.002 0.000 0.267 408 L C -0.179 176.853 176.870 0.269 0.000 1.009 408 L CA -0.544 54.324 54.840 0.046 0.000 0.819 408 L CB 1.579 43.459 42.059 -0.297 0.000 1.323 408 L HN 0.450 nan 8.230 nan 0.000 0.425 409 K N 1.830 122.351 120.400 0.201 0.000 2.182 409 K HA 0.695 5.016 4.320 0.002 0.000 0.262 409 K C -1.529 175.212 176.600 0.235 0.000 0.957 409 K CA -0.462 55.885 56.287 0.099 0.000 0.842 409 K CB 1.321 33.563 32.500 -0.431 0.000 1.099 409 K HN 0.534 nan 8.250 nan 0.000 0.438 410 F N 1.212 121.226 119.950 0.107 0.000 2.643 410 F HA 0.470 4.998 4.527 0.002 0.000 0.314 410 F C 0.210 176.039 175.800 0.048 0.000 1.096 410 F CA -0.940 57.118 58.000 0.096 0.000 0.953 410 F CB 1.578 40.669 39.000 0.152 0.000 1.345 410 F HN 0.496 nan 8.300 nan 0.000 0.468 411 K N -0.035 120.460 120.400 0.158 0.000 2.267 411 K HA 0.210 4.532 4.320 0.002 0.000 0.213 411 K C 0.267 176.942 176.600 0.125 0.000 1.060 411 K CA 0.991 57.292 56.287 0.025 0.000 0.935 411 K CB 0.241 32.762 32.500 0.035 0.000 1.096 411 K HN 0.906 nan 8.250 nan 0.000 0.468 412 T N -1.856 112.833 114.554 0.226 0.000 2.952 412 T HA 0.261 4.613 4.350 0.002 0.000 0.286 412 T C 1.169 175.997 174.700 0.213 0.000 1.024 412 T CA -0.812 61.390 62.100 0.170 0.000 1.029 412 T CB 1.479 70.393 68.868 0.077 0.000 1.094 412 T HN 0.211 nan 8.240 nan 0.000 0.515 413 I N 0.327 120.954 120.570 0.095 0.000 2.439 413 I HA -0.057 4.114 4.170 0.002 0.000 0.251 413 I C 2.103 178.214 176.117 -0.010 0.000 1.139 413 I CA 1.314 62.620 61.300 0.010 0.000 1.438 413 I CB -0.019 37.898 38.000 -0.138 0.000 1.085 413 I HN 0.760 nan 8.210 nan 0.000 0.427 414 E N 0.715 120.919 120.200 0.007 0.000 2.047 414 E HA -0.284 4.068 4.350 0.002 0.000 0.191 414 E C 1.956 178.565 176.600 0.015 0.000 0.987 414 E CA 1.439 57.874 56.400 0.058 0.000 0.799 414 E CB -0.286 29.447 29.700 0.054 0.000 0.752 414 E HN 0.506 nan 8.360 nan 0.000 0.449 415 E N 0.606 120.814 120.200 0.014 0.000 2.058 415 E HA -0.214 4.138 4.350 0.002 0.000 0.194 415 E C 2.063 178.600 176.600 -0.106 0.000 0.997 415 E CA 1.426 57.824 56.400 -0.002 0.000 0.801 415 E CB -0.082 29.658 29.700 0.067 0.000 0.746 415 E HN 0.191 nan 8.360 nan 0.000 0.450 416 V N 0.288 120.066 119.914 -0.226 0.000 2.667 416 V HA -0.134 3.988 4.120 0.002 0.000 0.252 416 V C 2.229 178.022 176.094 -0.501 0.000 1.065 416 V CA 1.026 62.978 62.300 -0.580 0.000 1.083 416 V CB 0.229 31.326 31.823 -1.209 0.000 0.692 416 V HN 0.224 nan 8.190 nan 0.000 0.468 417 V N 0.722 120.480 119.914 -0.262 0.000 2.358 417 V HA -0.126 3.995 4.120 0.002 0.000 0.246 417 V C 2.664 178.653 176.094 -0.175 0.000 1.047 417 V CA 2.173 64.364 62.300 -0.182 0.000 1.035 417 V CB -1.199 30.597 31.823 -0.046 0.000 0.658 417 V HN 0.627 nan 8.190 nan 0.000 0.452 418 G N -0.618 108.104 108.800 -0.131 0.000 2.422 418 G HA2 -0.220 3.741 3.960 0.002 0.000 0.218 418 G HA3 -0.220 3.741 3.960 0.002 0.000 0.218 418 G C 1.772 176.606 174.900 -0.111 0.000 1.146 418 G CA 0.616 45.661 45.100 -0.093 0.000 0.769 418 G HN 0.421 nan 8.290 nan 0.000 0.547 419 R N 0.322 120.716 120.500 -0.176 0.000 2.062 419 R HA 0.137 4.479 4.340 0.002 0.000 0.229 419 R C 3.067 179.253 176.300 -0.191 0.000 1.128 419 R CA 1.029 57.036 56.100 -0.154 0.000 0.960 419 R CB -0.378 29.826 30.300 -0.160 0.000 0.855 419 R HN 0.314 nan 8.270 nan 0.000 0.432 420 A N 1.568 124.127 122.820 -0.435 0.000 1.940 420 A HA -0.176 4.146 4.320 0.002 0.000 0.219 420 A C 1.581 179.106 177.584 -0.100 0.000 1.176 420 A CA 1.618 53.480 52.037 -0.292 0.000 0.631 420 A CB -0.395 18.374 19.000 -0.386 0.000 0.814 420 A HN 0.247 nan 8.150 nan 0.000 0.446 421 N N 0.086 118.717 118.700 -0.116 0.000 2.467 421 N HA -0.042 4.700 4.740 0.002 0.000 0.184 421 N C 0.191 175.682 175.510 -0.033 0.000 1.106 421 N CA 0.276 53.283 53.050 -0.072 0.000 0.892 421 N CB -0.403 38.032 38.487 -0.087 0.000 0.969 421 N HN 0.406 nan 8.380 nan 0.000 0.454 422 N N 0.924 119.612 118.700 -0.020 0.000 2.968 422 N HA 0.070 4.811 4.740 0.002 0.000 0.271 422 N C -1.338 174.188 175.510 0.028 0.000 1.174 422 N CA 0.064 53.116 53.050 0.003 0.000 1.096 422 N CB -0.148 38.344 38.487 0.009 0.000 1.403 422 N HN -0.088 nan 8.380 nan 0.000 0.522 423 S N 0.176 115.887 115.700 0.019 0.000 2.565 423 S HA 0.225 4.696 4.470 0.002 0.000 0.274 423 S C 0.691 175.281 174.600 -0.017 0.000 1.144 423 S CA -0.424 57.792 58.200 0.026 0.000 0.849 423 S CB 0.202 63.462 63.200 0.100 0.000 1.103 423 S HN 0.400 nan 8.310 nan 0.000 0.455 424 T N 0.623 115.112 114.554 -0.109 0.000 3.129 424 T HA 0.283 4.634 4.350 0.002 0.000 0.251 424 T C 0.431 175.048 174.700 -0.138 0.000 1.117 424 T CA 0.351 62.359 62.100 -0.153 0.000 1.034 424 T CB -0.549 68.177 68.868 -0.237 0.000 0.968 424 T HN 0.541 nan 8.240 nan 0.000 0.526 425 Y N 0.534 120.852 120.300 0.029 0.000 2.354 425 Y HA 0.559 5.111 4.550 0.002 0.000 0.322 425 Y C 1.242 177.155 175.900 0.021 0.000 1.253 425 Y CA -0.890 57.230 58.100 0.035 0.000 1.272 425 Y CB 1.694 40.181 38.460 0.045 0.000 1.255 425 Y HN 0.155 nan 8.280 nan 0.000 0.500 426 G N 1.916 110.839 108.800 0.206 0.000 5.338 426 G HA2 0.106 4.067 3.960 0.002 0.000 0.198 426 G HA3 0.106 4.067 3.960 0.002 0.000 0.198 426 G C -0.208 174.684 174.900 -0.013 0.000 0.708 426 G CA -0.252 44.883 45.100 0.059 0.000 0.626 426 G HN 0.559 nan 8.290 nan 0.000 0.419 427 L N 0.558 121.776 121.223 -0.009 0.000 2.068 427 L HA 0.743 5.084 4.340 0.002 0.000 0.204 427 L C 1.138 177.850 176.870 -0.264 0.000 1.076 427 L CA 2.178 56.954 54.840 -0.106 0.000 0.753 427 L CB -0.029 42.032 42.059 0.004 0.000 0.910 427 L HN 0.459 nan 8.230 nan 0.000 0.439 428 A N -2.149 120.576 122.820 -0.157 0.000 2.588 428 A HA 0.906 5.227 4.320 0.002 0.000 0.290 428 A C -1.417 176.102 177.584 -0.108 0.000 1.136 428 A CA -0.095 51.785 52.037 -0.262 0.000 0.681 428 A CB 0.860 19.750 19.000 -0.183 0.000 1.282 428 A HN 0.515 nan 8.150 nan 0.000 0.421 429 A N -1.358 121.383 122.820 -0.133 0.000 2.566 429 A HA 1.004 5.325 4.320 0.002 0.000 0.290 429 A C -0.752 176.915 177.584 0.137 0.000 1.071 429 A CA 0.085 52.155 52.037 0.055 0.000 0.658 429 A CB 0.501 19.470 19.000 -0.052 0.000 1.285 429 A HN 2.689 nan 8.150 nan 0.000 0.427 430 A N -0.527 122.477 122.820 0.307 0.000 2.574 430 A HA 0.852 5.174 4.320 0.002 0.000 0.297 430 A C -0.842 176.952 177.584 0.350 0.000 1.062 430 A CA 0.029 52.307 52.037 0.400 0.000 0.686 430 A CB 1.318 20.791 19.000 0.788 0.000 1.285 430 A HN 2.367 nan 8.150 nan 0.000 0.403 431 V N -1.344 118.721 119.914 0.252 0.000 2.709 431 V HA 0.914 5.036 4.120 0.002 0.000 0.308 431 V C -1.477 174.718 176.094 0.168 0.000 1.062 431 V CA -0.815 61.630 62.300 0.241 0.000 0.901 431 V CB 1.276 33.172 31.823 0.122 0.000 1.003 431 V HN 0.695 nan 8.190 nan 0.000 0.425 432 F N 2.807 122.871 119.950 0.189 0.000 2.427 432 F HA 0.860 5.388 4.527 0.003 0.000 0.348 432 F C 0.385 176.290 175.800 0.175 0.000 1.125 432 F CA -0.098 58.026 58.000 0.208 0.000 0.989 432 F CB 1.994 41.129 39.000 0.225 0.000 1.165 432 F HN 0.942 nan 8.300 nan 0.000 0.442 433 T N 2.127 116.826 114.554 0.241 0.000 2.893 433 T HA 0.245 4.596 4.350 0.002 0.000 0.337 433 T C -0.020 174.754 174.700 0.125 0.000 1.587 433 T CA -0.731 61.476 62.100 0.178 0.000 1.066 433 T CB 1.319 70.270 68.868 0.138 0.000 1.414 433 T HN 0.653 nan 8.240 nan 0.000 0.488 434 K N 1.136 121.600 120.400 0.106 0.000 2.404 434 K HA 0.162 4.484 4.320 0.002 0.000 0.194 434 K C -0.215 176.416 176.600 0.051 0.000 1.023 434 K CA -0.005 56.325 56.287 0.072 0.000 1.094 434 K CB 0.208 32.749 32.500 0.068 0.000 0.841 434 K HN 0.471 nan 8.250 nan 0.000 0.523 435 D N 0.733 121.166 120.400 0.055 0.000 2.232 435 D HA 0.043 4.684 4.640 0.002 0.000 0.242 435 D C 0.770 177.093 176.300 0.037 0.000 1.093 435 D CA -0.361 53.663 54.000 0.041 0.000 0.845 435 D CB 1.222 42.044 40.800 0.037 0.000 1.124 435 D HN -0.183 nan 8.370 nan 0.000 0.467 436 L N 3.986 125.227 121.223 0.030 0.000 1.989 436 L HA -0.129 4.212 4.340 0.002 0.000 0.211 436 L C 1.233 178.125 176.870 0.037 0.000 1.071 436 L CA 2.009 56.866 54.840 0.028 0.000 0.749 436 L CB -0.409 41.664 42.059 0.022 0.000 0.890 436 L HN 0.509 nan 8.230 nan 0.000 0.431 437 D N -0.560 119.862 120.400 0.036 0.000 2.144 437 D HA -0.150 4.492 4.640 0.002 0.000 0.200 437 D C 2.218 178.560 176.300 0.069 0.000 0.978 437 D CA 1.168 55.198 54.000 0.049 0.000 0.833 437 D CB -0.031 40.789 40.800 0.034 0.000 0.961 437 D HN 0.378 nan 8.370 nan 0.000 0.470 438 K N 0.606 121.030 120.400 0.041 0.000 2.057 438 K HA -0.052 4.270 4.320 0.002 0.000 0.207 438 K C 2.125 178.782 176.600 0.096 0.000 1.049 438 K CA 1.125 57.436 56.287 0.041 0.000 0.931 438 K CB -0.087 32.427 32.500 0.023 0.000 0.714 438 K HN 0.016 nan 8.250 nan 0.000 0.440 439 A N 2.145 125.009 122.820 0.073 0.000 1.865 439 A HA -0.234 4.087 4.320 0.002 0.000 0.217 439 A C 1.861 179.483 177.584 0.063 0.000 1.191 439 A CA 1.911 53.984 52.037 0.061 0.000 0.623 439 A CB -0.595 18.428 19.000 0.038 0.000 0.826 439 A HN 0.245 nan 8.150 nan 0.000 0.444 440 N N -1.663 117.077 118.700 0.066 0.000 2.188 440 N HA -0.150 4.591 4.740 0.002 0.000 0.184 440 N C 1.607 177.160 175.510 0.072 0.000 1.018 440 N CA 1.620 54.700 53.050 0.051 0.000 0.858 440 N CB -0.628 37.885 38.487 0.043 0.000 0.989 440 N HN 0.707 nan 8.380 nan 0.000 0.426 441 Y N 1.621 121.911 120.300 -0.018 0.000 2.097 441 Y HA -0.158 4.393 4.550 0.002 0.000 0.282 441 Y C 2.230 178.106 175.900 -0.039 0.000 1.152 441 Y CA 1.510 59.596 58.100 -0.023 0.000 1.136 441 Y CB -0.380 38.072 38.460 -0.014 0.000 0.975 441 Y HN -0.051 nan 8.280 nan 0.000 0.498 442 L N -0.116 121.253 121.223 0.243 0.000 2.027 442 L HA -0.233 4.108 4.340 0.002 0.000 0.206 442 L C 2.839 179.686 176.870 -0.038 0.000 1.074 442 L CA 1.622 56.528 54.840 0.109 0.000 0.745 442 L CB -0.912 41.219 42.059 0.119 0.000 0.898 442 L HN 0.386 nan 8.230 nan 0.000 0.433 443 S N -0.613 115.066 115.700 -0.034 0.000 2.387 443 S HA -0.351 4.121 4.470 0.002 0.000 0.230 443 S C 1.934 176.458 174.600 -0.126 0.000 1.035 443 S CA 1.739 59.887 58.200 -0.086 0.000 1.014 443 S CB -0.576 62.582 63.200 -0.069 0.000 0.836 443 S HN 0.554 nan 8.310 nan 0.000 0.466 444 Q N 1.335 121.061 119.800 -0.123 0.000 2.083 444 Q HA 0.051 4.393 4.340 0.002 0.000 0.198 444 Q C 2.249 178.138 176.000 -0.184 0.000 0.969 444 Q CA 1.205 56.922 55.803 -0.143 0.000 0.838 444 Q CB -0.526 28.128 28.738 -0.140 0.000 0.900 444 Q HN 0.701 nan 8.270 nan 0.000 0.436 445 A N 0.701 123.378 122.820 -0.238 0.000 1.968 445 A HA 0.089 4.410 4.320 0.002 0.000 0.217 445 A C 0.952 178.415 177.584 -0.200 0.000 1.169 445 A CA 0.164 52.045 52.037 -0.260 0.000 0.638 445 A CB -0.325 18.446 19.000 -0.381 0.000 0.812 445 A HN 0.375 nan 8.150 nan 0.000 0.446 446 L N 1.052 122.158 121.223 -0.195 0.000 2.462 446 L HA 0.056 4.398 4.340 0.002 0.000 0.272 446 L C 0.055 176.742 176.870 -0.305 0.000 1.166 446 L CA -0.142 54.569 54.840 -0.214 0.000 0.880 446 L CB 0.565 42.507 42.059 -0.194 0.000 1.142 446 L HN 0.397 nan 8.230 nan 0.000 0.473 447 Q N 3.918 123.537 119.800 -0.301 0.000 3.027 447 Q HA 0.491 4.832 4.340 0.002 0.000 0.260 447 Q C -0.316 175.267 176.000 -0.696 0.000 1.379 447 Q CA -0.259 55.276 55.803 -0.447 0.000 1.038 447 Q CB 0.606 29.248 28.738 -0.159 0.000 1.578 447 Q HN 0.684 nan 8.270 nan 0.000 0.571 448 A N -0.249 121.970 122.820 -1.003 0.000 2.539 448 A HA 0.696 5.018 4.320 0.002 0.000 0.296 448 A C 0.870 177.927 177.584 -0.879 0.000 1.073 448 A CA -0.454 51.111 52.037 -0.785 0.000 0.700 448 A CB 1.219 19.960 19.000 -0.432 0.000 1.296 448 A HN 0.516 nan 8.150 nan 0.000 0.405 449 G N -0.209 108.328 108.800 -0.440 0.000 2.443 449 G HA2 0.311 4.272 3.960 0.002 0.000 0.219 449 G HA3 0.311 4.272 3.960 0.002 0.000 0.219 449 G C 0.460 175.089 174.900 -0.452 0.000 1.131 449 G CA 1.615 46.567 45.100 -0.246 0.000 0.775 449 G HN 0.836 nan 8.290 nan 0.000 0.547 450 T N -0.296 113.881 114.554 -0.627 0.000 2.921 450 T HA 0.500 4.851 4.350 0.002 0.000 0.297 450 T C -1.135 173.084 174.700 -0.802 0.000 1.013 450 T CA -0.421 61.211 62.100 -0.780 0.000 0.990 450 T CB 2.752 70.951 68.868 -1.116 0.000 1.023 450 T HN -0.100 nan 8.240 nan 0.000 0.447 451 V N 3.579 123.104 119.914 -0.647 0.000 2.378 451 V HA 0.450 4.572 4.120 0.002 0.000 0.288 451 V C -0.669 175.179 176.094 -0.410 0.000 1.016 451 V CA -0.997 61.028 62.300 -0.459 0.000 0.840 451 V CB 1.274 32.935 31.823 -0.269 0.000 0.994 451 V HN 0.761 nan 8.190 nan 0.000 0.431 452 W N 3.510 124.706 121.300 -0.174 0.000 2.376 452 W HA 0.637 5.299 4.660 0.002 0.000 0.322 452 W C -0.569 175.871 176.519 -0.131 0.000 1.160 452 W CA -0.676 56.575 57.345 -0.157 0.000 1.218 452 W CB 1.890 31.231 29.460 -0.198 0.000 1.205 452 W HN 0.263 nan 8.180 nan 0.000 0.559 453 V N 4.787 124.750 119.914 0.082 0.000 2.407 453 V HA 0.128 4.249 4.120 0.002 0.000 0.291 453 V C 0.176 176.165 176.094 -0.176 0.000 1.018 453 V CA -0.908 61.355 62.300 -0.063 0.000 0.842 453 V CB 1.155 32.961 31.823 -0.028 0.000 0.996 453 V HN 0.672 nan 8.190 nan 0.000 0.426 454 N N 2.006 120.364 118.700 -0.571 0.000 2.714 454 N HA -0.178 4.564 4.740 0.002 0.000 0.250 454 N C -0.241 175.188 175.510 -0.134 0.000 1.117 454 N CA 1.328 53.998 53.050 -0.633 0.000 0.719 454 N CB -1.136 37.297 38.487 -0.090 0.000 1.081 454 N HN 1.034 nan 8.380 nan 0.000 0.557 455 C N -4.144 115.034 119.300 -0.204 0.000 3.314 455 C HA 0.823 5.284 4.460 0.002 0.000 0.344 455 C C -0.940 174.174 174.990 0.207 0.000 1.461 455 C CA -1.328 57.809 59.018 0.198 0.000 1.249 455 C CB 1.853 29.699 27.740 0.176 0.000 1.632 455 C HN 0.254 nan 8.230 nan 0.000 0.452 456 Y N -0.276 119.939 120.300 -0.140 0.000 2.581 456 Y HA 0.472 5.023 4.550 0.002 0.000 0.337 456 Y C -0.229 175.113 175.900 -0.931 0.000 1.108 456 Y CA 0.398 58.154 58.100 -0.574 0.000 1.033 456 Y CB 1.398 39.792 38.460 -0.111 0.000 1.318 456 Y HN 1.012 nan 8.280 nan 0.000 0.459 457 D N 1.613 120.855 120.400 -1.930 0.000 2.811 457 D HA -0.144 4.497 4.640 0.002 0.000 0.231 457 D C -0.941 175.167 176.300 -0.320 0.000 1.157 457 D CA 0.944 54.437 54.000 -0.845 0.000 0.716 457 D CB -0.998 39.608 40.800 -0.324 0.000 1.077 457 D HN 0.158 nan 8.370 nan 0.000 0.428 458 V N 1.534 121.062 119.914 -0.644 0.000 2.356 458 V HA 0.250 4.372 4.120 0.002 0.000 0.258 458 V C 0.530 176.726 176.094 0.169 0.000 1.065 458 V CA -0.189 62.096 62.300 -0.024 0.000 0.935 458 V CB -0.137 31.698 31.823 0.020 0.000 1.061 458 V HN -0.026 nan 8.190 nan 0.000 0.484 459 F N 2.506 122.543 119.950 0.145 0.000 2.432 459 F HA 0.839 5.367 4.527 0.003 0.000 0.329 459 F C 0.832 176.672 175.800 0.067 0.000 1.076 459 F CA -0.599 57.487 58.000 0.143 0.000 1.018 459 F CB 1.999 41.066 39.000 0.112 0.000 1.201 459 F HN 0.484 nan 8.300 nan 0.000 0.489 460 G N -0.224 108.679 108.800 0.171 0.000 2.706 460 G HA2 0.516 4.477 3.960 0.002 0.000 0.297 460 G HA3 0.516 4.477 3.960 0.002 0.000 0.297 460 G C -0.048 174.784 174.900 -0.114 0.000 1.403 460 G CA -0.332 44.786 45.100 0.030 0.000 0.954 460 G HN 0.844 nan 8.290 nan 0.000 0.500 461 A N 0.483 123.159 122.820 -0.241 0.000 2.070 461 A HA -0.038 4.284 4.320 0.002 0.000 0.220 461 A C 2.099 179.124 177.584 -0.931 0.000 1.159 461 A CA 1.874 53.586 52.037 -0.542 0.000 0.656 461 A CB -0.160 18.500 19.000 -0.566 0.000 0.800 461 A HN 0.567 nan 8.150 nan 0.000 0.453 462 Q N 0.034 119.435 119.800 -0.665 0.000 2.245 462 Q HA 0.114 4.456 4.340 0.002 0.000 0.201 462 Q C 0.307 176.225 176.000 -0.137 0.000 0.955 462 Q CA 0.848 56.380 55.803 -0.452 0.000 0.870 462 Q CB 0.093 28.738 28.738 -0.155 0.000 0.945 462 Q HN 0.489 nan 8.270 nan 0.000 0.461 463 S N 1.675 117.303 115.700 -0.121 0.000 2.451 463 S HA 0.463 4.934 4.470 0.002 0.000 0.301 463 S C -2.524 172.042 174.600 -0.056 0.000 1.116 463 S CA -1.464 56.710 58.200 -0.044 0.000 1.093 463 S CB 1.396 64.569 63.200 -0.045 0.000 1.017 463 S HN -0.031 nan 8.310 nan 0.000 0.482 464 P HA 0.370 nan 4.420 nan 0.000 0.272 464 P C -0.974 176.293 177.300 -0.054 0.000 1.230 464 P CA -0.288 62.763 63.100 -0.083 0.000 0.788 464 P CB 0.316 31.839 31.700 -0.295 0.000 0.949 465 F N 0.492 120.339 119.950 -0.172 0.000 2.581 465 F HA 0.692 5.220 4.527 0.002 0.000 0.311 465 F C -0.182 175.596 175.800 -0.037 0.000 1.113 465 F CA 0.231 58.164 58.000 -0.113 0.000 0.935 465 F CB 2.068 41.065 39.000 -0.004 0.000 1.232 465 F HN 0.631 nan 8.300 nan 0.000 0.445 466 G N 2.030 110.506 108.800 -0.540 0.000 2.313 466 G HA2 0.459 4.421 3.960 0.002 0.000 0.296 466 G HA3 0.459 4.421 3.960 0.002 0.000 0.296 466 G C -1.618 173.108 174.900 -0.290 0.000 1.356 466 G CA -0.217 44.744 45.100 -0.232 0.000 0.833 466 G HN 1.014 nan 8.290 nan 0.000 0.552 467 G N -1.322 107.422 108.800 -0.094 0.000 2.410 467 G HA2 0.605 4.567 3.960 0.002 0.000 0.330 467 G HA3 0.605 4.567 3.960 0.002 0.000 0.330 467 G C -1.088 173.860 174.900 0.080 0.000 1.142 467 G CA -0.461 44.631 45.100 -0.012 0.000 0.902 467 G HN 0.449 nan 8.290 nan 0.000 0.491 468 Y N 0.672 120.909 120.300 -0.104 0.000 2.334 468 Y HA 0.370 4.921 4.550 0.002 0.000 0.325 468 Y C 1.551 177.434 175.900 -0.028 0.000 1.308 468 Y CA -0.382 57.673 58.100 -0.074 0.000 1.389 468 Y CB 1.065 39.474 38.460 -0.084 0.000 1.328 468 Y HN 0.840 nan 8.280 nan 0.000 0.532 469 K N -0.465 119.998 120.400 0.105 0.000 1.931 469 K HA -0.322 4.000 4.320 0.002 0.000 0.126 469 K C 0.613 177.246 176.600 0.054 0.000 1.372 469 K CA 1.969 58.293 56.287 0.063 0.000 0.483 469 K CB -1.071 31.476 32.500 0.078 0.000 0.562 469 K HN 0.652 nan 8.250 nan 0.000 0.923 470 M N 0.958 120.593 119.600 0.059 0.000 2.505 470 M HA 0.051 4.533 4.480 0.002 0.000 0.230 470 M C 0.876 177.286 176.300 0.184 0.000 1.153 470 M CA 0.463 55.803 55.300 0.068 0.000 0.997 470 M CB 0.330 32.918 32.600 -0.019 0.000 1.606 470 M HN 0.301 nan 8.290 nan 0.000 0.481 471 S N 0.601 116.430 115.700 0.215 0.000 2.562 471 S HA 0.309 4.780 4.470 0.002 0.000 0.221 471 S C 0.945 175.631 174.600 0.143 0.000 0.975 471 S CA 0.490 58.824 58.200 0.223 0.000 0.918 471 S CB 0.175 63.477 63.200 0.171 0.000 0.772 471 S HN 0.769 nan 8.310 nan 0.000 0.531 472 G N 0.602 109.467 108.800 0.109 0.000 2.359 472 G HA2 0.298 4.259 3.960 0.002 0.000 0.303 472 G HA3 0.298 4.259 3.960 0.002 0.000 0.303 472 G C -1.334 173.586 174.900 0.033 0.000 1.293 472 G CA -0.438 44.713 45.100 0.085 0.000 0.964 472 G HN 0.690 nan 8.290 nan 0.000 0.531 473 S N -1.241 114.472 115.700 0.022 0.000 2.533 473 S HA 0.987 5.458 4.470 0.002 0.000 0.271 473 S C 0.222 174.812 174.600 -0.016 0.000 1.143 473 S CA 0.456 58.644 58.200 -0.020 0.000 0.891 473 S CB 1.470 64.654 63.200 -0.026 0.000 1.105 473 S HN 3.032 nan 8.310 nan 0.000 0.468 474 G N 1.674 110.449 108.800 -0.042 0.000 2.707 474 G HA2 0.162 4.124 3.960 0.002 0.000 0.686 474 G HA3 0.162 4.124 3.960 0.002 0.000 0.686 474 G C -1.521 173.367 174.900 -0.019 0.000 1.315 474 G CA -1.137 43.945 45.100 -0.031 0.000 0.832 474 G HN 0.780 nan 8.290 nan 0.000 0.573 475 R N 0.420 120.919 120.500 -0.002 0.000 2.686 475 R HA 0.584 4.925 4.340 0.002 0.000 0.286 475 R C -0.058 176.278 176.300 0.060 0.000 0.969 475 R CA -0.697 55.406 56.100 0.005 0.000 0.898 475 R CB 1.852 32.117 30.300 -0.059 0.000 1.183 475 R HN 0.774 nan 8.270 nan 0.000 0.456 476 E N 2.105 122.354 120.200 0.080 0.000 2.249 476 E HA 0.592 4.943 4.350 0.002 0.000 0.263 476 E C -0.163 176.409 176.600 -0.047 0.000 0.950 476 E CA -0.938 55.492 56.400 0.049 0.000 0.827 476 E CB 1.704 31.455 29.700 0.085 0.000 1.220 476 E HN 0.310 nan 8.360 nan 0.000 0.411 477 L N -0.381 120.818 121.223 -0.040 0.000 0.586 477 L HA -0.273 4.069 4.340 0.002 0.000 0.356 477 L C 0.649 177.605 176.870 0.144 0.000 0.969 477 L CA 0.751 55.576 54.840 -0.024 0.000 1.223 477 L CB -1.425 40.438 42.059 -0.327 0.000 0.020 477 L HN 1.025 nan 8.230 nan 0.000 0.091 478 G N 0.066 108.920 108.800 0.090 0.000 2.749 478 G HA2 -0.297 3.664 3.960 0.002 0.000 0.242 478 G HA3 -0.297 3.664 3.960 0.002 0.000 0.242 478 G C 0.397 175.491 174.900 0.323 0.000 1.364 478 G CA 0.933 46.191 45.100 0.264 0.000 0.888 478 G HN 1.139 nan 8.290 nan 0.000 0.566 479 E N -1.071 119.252 120.200 0.204 0.000 2.110 479 E HA -0.113 4.238 4.350 0.002 0.000 0.193 479 E C 2.198 178.618 176.600 -0.300 0.000 0.988 479 E CA 1.778 57.983 56.400 -0.326 0.000 0.804 479 E CB -0.164 29.380 29.700 -0.260 0.000 0.745 479 E HN 0.616 nan 8.360 nan 0.000 0.458 480 Y N -0.163 120.103 120.300 -0.056 0.000 2.256 480 Y HA -0.126 4.426 4.550 0.002 0.000 0.288 480 Y C 2.421 178.280 175.900 -0.069 0.000 1.155 480 Y CA 1.177 59.247 58.100 -0.050 0.000 1.203 480 Y CB -0.738 37.710 38.460 -0.020 0.000 0.980 480 Y HN 0.162 nan 8.280 nan 0.000 0.530 481 G N -0.310 108.570 108.800 0.133 0.000 2.535 481 G HA2 -0.156 3.805 3.960 0.002 0.000 0.218 481 G HA3 -0.156 3.805 3.960 0.002 0.000 0.218 481 G C 1.434 176.327 174.900 -0.011 0.000 1.122 481 G CA 0.713 45.871 45.100 0.097 0.000 0.769 481 G HN 0.407 nan 8.290 nan 0.000 0.549 482 L N -0.837 120.255 121.223 -0.217 0.000 2.375 482 L HA 0.077 4.418 4.340 0.002 0.000 0.215 482 L C 2.892 179.596 176.870 -0.276 0.000 1.108 482 L CA 0.284 54.874 54.840 -0.417 0.000 0.830 482 L CB -0.266 41.111 42.059 -1.137 0.000 0.959 482 L HN 0.199 nan 8.230 nan 0.000 0.457 483 Q N 0.557 120.254 119.800 -0.171 0.000 2.061 483 Q HA -0.200 4.142 4.340 0.002 0.000 0.204 483 Q C 2.385 178.331 176.000 -0.090 0.000 0.984 483 Q CA 1.904 57.671 55.803 -0.060 0.000 0.846 483 Q CB -0.281 28.448 28.738 -0.014 0.000 0.902 483 Q HN 0.555 nan 8.270 nan 0.000 0.421 484 A N -0.571 122.153 122.820 -0.161 0.000 2.172 484 A HA -0.119 4.202 4.320 0.002 0.000 0.216 484 A C 0.941 178.252 177.584 -0.454 0.000 1.154 484 A CA 0.858 52.705 52.037 -0.317 0.000 0.701 484 A CB -0.312 18.430 19.000 -0.430 0.000 0.789 484 A HN 0.441 nan 8.150 nan 0.000 0.465 485 Y N -0.491 119.761 120.300 -0.079 0.000 2.507 485 Y HA 0.170 4.721 4.550 0.002 0.000 0.254 485 Y C 0.342 176.224 175.900 -0.031 0.000 1.171 485 Y CA 0.049 58.110 58.100 -0.065 0.000 1.238 485 Y CB 0.572 38.974 38.460 -0.095 0.000 1.148 485 Y HN 0.078 nan 8.280 nan 0.000 0.525 486 T N 0.292 114.882 114.554 0.060 0.000 2.823 486 T HA 0.352 4.703 4.350 0.002 0.000 0.279 486 T C -0.880 173.829 174.700 0.016 0.000 0.998 486 T CA -0.685 61.454 62.100 0.065 0.000 0.994 486 T CB 2.022 70.930 68.868 0.068 0.000 0.960 486 T HN -0.045 nan 8.240 nan 0.000 0.448 487 E N 1.958 122.187 120.200 0.047 0.000 2.158 487 E HA 0.518 4.869 4.350 0.002 0.000 0.271 487 E C -1.152 175.473 176.600 0.042 0.000 0.911 487 E CA -0.597 55.822 56.400 0.032 0.000 0.767 487 E CB 1.033 30.767 29.700 0.056 0.000 1.120 487 E HN 0.324 nan 8.360 nan 0.000 0.405 488 V N 5.239 125.163 119.914 0.017 0.000 2.432 488 V HA 0.330 4.451 4.120 0.002 0.000 0.275 488 V C 0.039 176.157 176.094 0.041 0.000 1.043 488 V CA -0.507 61.825 62.300 0.053 0.000 0.925 488 V CB 1.268 33.107 31.823 0.026 0.000 0.985 488 V HN 0.586 nan 8.190 nan 0.000 0.466 489 K N 2.980 123.411 120.400 0.053 0.000 2.323 489 K HA 0.511 4.832 4.320 0.002 0.000 0.259 489 K C -0.649 175.910 176.600 -0.068 0.000 0.947 489 K CA -0.397 55.886 56.287 -0.006 0.000 0.819 489 K CB 1.517 34.020 32.500 0.004 0.000 1.109 489 K HN 0.705 nan 8.250 nan 0.000 0.429 490 T N 3.084 117.567 114.554 -0.118 0.000 2.744 490 T HA 0.260 4.611 4.350 0.002 0.000 0.291 490 T C -0.604 173.908 174.700 -0.314 0.000 0.957 490 T CA -0.534 61.439 62.100 -0.212 0.000 1.002 490 T CB 1.064 69.830 68.868 -0.169 0.000 0.919 490 T HN 0.272 nan 8.240 nan 0.000 0.468 491 V N 4.351 123.917 119.914 -0.579 0.000 2.357 491 V HA 0.427 4.548 4.120 0.002 0.000 0.284 491 V C 0.268 175.973 176.094 -0.649 0.000 1.018 491 V CA -0.664 61.238 62.300 -0.663 0.000 0.841 491 V CB 1.538 32.752 31.823 -1.014 0.000 0.991 491 V HN 0.927 nan 8.190 nan 0.000 0.437 492 T N 4.824 119.168 114.554 -0.350 0.000 2.791 492 T HA 0.555 4.906 4.350 0.002 0.000 0.288 492 T C -0.375 174.292 174.700 -0.055 0.000 0.999 492 T CA -0.321 61.639 62.100 -0.232 0.000 0.952 492 T CB 1.408 70.127 68.868 -0.248 0.000 0.938 492 T HN 0.340 nan 8.240 nan 0.000 0.444 493 V N 4.099 124.063 119.914 0.083 0.000 2.417 493 V HA 0.434 4.556 4.120 0.002 0.000 0.291 493 V C 0.375 176.680 176.094 0.353 0.000 1.024 493 V CA -1.209 61.220 62.300 0.216 0.000 0.861 493 V CB 1.683 33.676 31.823 0.283 0.000 0.985 493 V HN 0.765 nan 8.190 nan 0.000 0.436 494 K N 4.178 124.764 120.400 0.309 0.000 2.451 494 K HA 0.389 4.711 4.320 0.002 0.000 0.280 494 K C -0.456 176.174 176.600 0.050 0.000 1.020 494 K CA -0.160 56.216 56.287 0.148 0.000 1.008 494 K CB 0.800 33.362 32.500 0.102 0.000 0.917 494 K HN 0.674 nan 8.250 nan 0.000 0.478 495 V N 2.006 121.882 119.914 -0.064 0.000 2.864 495 V HA 0.420 4.541 4.120 0.002 0.000 0.314 495 V C -2.067 173.973 176.094 -0.090 0.000 1.073 495 V CA -2.004 60.276 62.300 -0.034 0.000 0.956 495 V CB 1.330 33.159 31.823 0.010 0.000 1.023 495 V HN 0.698 nan 8.190 nan 0.000 0.435 496 P HA -0.122 nan 4.420 nan 0.000 0.214 496 P C 0.108 177.362 177.300 -0.077 0.000 1.169 496 P CA 1.433 64.496 63.100 -0.061 0.000 0.908 496 P CB 0.140 31.814 31.700 -0.043 0.000 0.791 497 Q N -1.142 118.617 119.800 -0.068 0.000 2.334 497 Q HA 0.141 4.482 4.340 0.002 0.000 0.249 497 Q C -0.955 175.015 176.000 -0.051 0.000 0.909 497 Q CA -0.732 55.032 55.803 -0.065 0.000 0.823 497 Q CB 1.071 29.780 28.738 -0.048 0.000 1.353 497 Q HN -0.193 nan 8.270 nan 0.000 0.433 498 K N 3.747 124.116 120.400 -0.051 0.000 2.412 498 K HA 0.182 4.504 4.320 0.002 0.000 0.281 498 K C -1.129 175.465 176.600 -0.010 0.000 1.027 498 K CA 0.513 56.790 56.287 -0.016 0.000 0.989 498 K CB 0.435 32.939 32.500 0.006 0.000 0.935 498 K HN 0.695 nan 8.250 nan 0.000 0.475 499 N N 1.563 120.260 118.700 -0.005 0.000 2.229 499 N HA 0.096 4.838 4.740 0.002 0.000 0.298 499 N C -0.598 174.914 175.510 0.003 0.000 1.114 499 N CA -0.471 52.575 53.050 -0.006 0.000 0.776 499 N CB 1.825 40.302 38.487 -0.017 0.000 1.501 499 N HN 0.685 nan 8.380 nan 0.000 0.474 500 S N 0.000 115.703 115.700 0.005 0.000 2.498 500 S HA 0.000 4.471 4.470 0.002 0.000 0.327 500 S CA 0.000 58.206 58.200 0.009 0.000 1.107 500 S CB 0.000 63.205 63.200 0.008 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517