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 1nzx_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 0.000 177.585 177.584 0.001 0.000 1.274 7 A CA 0.000 52.054 52.037 0.029 0.000 0.836 7 A CB 0.000 19.028 19.000 0.046 0.000 0.831 8 V N 1.440 121.325 119.914 -0.048 0.000 2.427 8 V HA 0.477 4.597 4.120 -0.000 0.000 0.286 8 V C -2.000 173.991 176.094 -0.171 0.000 1.034 8 V CA -1.494 60.681 62.300 -0.210 0.000 0.893 8 V CB 1.172 32.891 31.823 -0.174 0.000 0.982 8 V HN 0.617 nan 8.190 nan 0.000 0.452 9 P HA 0.299 nan 4.420 nan 0.000 0.268 9 P C -0.203 177.096 177.300 -0.000 0.000 1.205 9 P CA -0.059 62.980 63.100 -0.100 0.000 0.771 9 P CB 0.509 32.155 31.700 -0.090 0.000 0.858 10 A N 5.300 128.119 122.820 -0.002 0.000 2.546 10 A HA 0.291 4.611 4.320 -0.000 0.000 0.243 10 A C -1.631 175.899 177.584 -0.089 0.000 1.063 10 A CA -0.592 51.429 52.037 -0.027 0.000 0.757 10 A CB -0.970 18.011 19.000 -0.032 0.000 0.991 10 A HN 0.438 nan 8.150 nan 0.000 0.503 11 P HA 0.194 nan 4.420 nan 0.000 0.278 11 P C -0.945 176.190 177.300 -0.275 0.000 1.266 11 P CA -0.739 62.088 63.100 -0.455 0.000 0.807 11 P CB 0.820 31.833 31.700 -1.145 0.000 1.094 12 N N 0.882 119.449 118.700 -0.221 0.000 2.457 12 N HA 0.063 4.803 4.740 -0.000 0.000 0.250 12 N C 0.679 175.958 175.510 -0.384 0.000 0.982 12 N CA -0.107 52.822 53.050 -0.201 0.000 0.941 12 N CB 0.688 39.136 38.487 -0.065 0.000 1.120 12 N HN 0.231 nan 8.380 nan 0.000 0.505 13 Q N 1.210 120.663 119.800 -0.578 0.000 2.488 13 Q HA 0.021 4.361 4.340 -0.000 0.000 0.211 13 Q C -0.234 175.367 176.000 -0.665 0.000 0.967 13 Q CA 0.829 55.987 55.803 -1.075 0.000 0.926 13 Q CB 0.375 28.541 28.738 -0.954 0.000 0.992 13 Q HN 0.541 nan 8.270 nan 0.000 0.506 14 Q N 0.890 120.479 119.800 -0.352 0.000 2.943 14 Q HA 0.239 4.579 4.340 -0.000 0.000 0.327 14 Q C -2.457 173.466 176.000 -0.129 0.000 0.937 14 Q CA -1.476 54.202 55.803 -0.208 0.000 0.914 14 Q CB 1.296 29.935 28.738 -0.165 0.000 1.339 14 Q HN 0.210 nan 8.270 nan 0.000 0.417 15 P HA 0.020 nan 4.420 nan 0.000 0.267 15 P C -0.038 177.251 177.300 -0.020 0.000 1.205 15 P CA 0.037 63.142 63.100 0.008 0.000 0.765 15 P CB 1.162 32.847 31.700 -0.025 0.000 0.828 16 E N 2.297 122.473 120.200 -0.040 0.000 2.360 16 E HA 0.177 4.527 4.350 -0.000 0.000 0.269 16 E C -0.711 175.612 176.600 -0.462 0.000 1.022 16 E CA -0.585 55.621 56.400 -0.324 0.000 0.887 16 E CB 0.688 30.074 29.700 -0.523 0.000 0.990 16 E HN 0.180 nan 8.360 nan 0.000 0.426 17 V N 6.369 126.028 119.914 -0.425 0.000 2.383 17 V HA 0.104 4.224 4.120 -0.000 0.000 0.275 17 V C 0.119 175.962 176.094 -0.418 0.000 1.036 17 V CA -0.072 62.066 62.300 -0.270 0.000 0.889 17 V CB 0.679 32.416 31.823 -0.143 0.000 0.985 17 V HN 0.696 nan 8.190 nan 0.000 0.459 18 F N 1.742 121.708 119.950 0.026 0.000 2.717 18 F HA 0.267 4.794 4.527 -0.000 0.000 0.295 18 F C 0.937 176.620 175.800 -0.194 0.000 1.117 18 F CA -0.109 57.865 58.000 -0.044 0.000 1.361 18 F CB 0.328 39.349 39.000 0.036 0.000 1.112 18 F HN 0.386 nan 8.300 nan 0.000 0.594 19 C N 1.871 121.155 119.300 -0.026 0.000 2.431 19 C HA 0.448 4.908 4.460 -0.000 0.000 0.321 19 C C 0.315 175.170 174.990 -0.225 0.000 1.202 19 C CA -0.896 57.877 59.018 -0.409 0.000 1.398 19 C CB 0.825 28.271 27.740 -0.489 0.000 2.047 19 C HN 0.543 nan 8.230 nan 0.000 0.465 20 N N 0.977 119.526 118.700 -0.251 0.000 2.261 20 N HA 0.044 4.784 4.740 -0.000 0.000 0.241 20 N C -0.440 175.072 175.510 0.003 0.000 1.374 20 N CA -0.256 52.738 53.050 -0.093 0.000 0.802 20 N CB 0.116 38.528 38.487 -0.124 0.000 1.339 20 N HN 0.813 nan 8.380 nan 0.000 0.498 21 Q N 0.041 119.926 119.800 0.142 0.000 2.852 21 Q HA 0.587 4.927 4.340 -0.000 0.000 0.262 21 Q C -0.469 175.858 176.000 0.545 0.000 1.051 21 Q CA -0.953 55.051 55.803 0.335 0.000 0.894 21 Q CB 1.818 30.781 28.738 0.374 0.000 1.381 21 Q HN 0.109 nan 8.270 nan 0.000 0.501 22 I N 1.119 121.953 120.570 0.440 0.000 2.365 22 I HA 0.185 4.355 4.170 -0.000 0.000 0.291 22 I C -0.825 175.463 176.117 0.284 0.000 1.004 22 I CA -0.242 61.256 61.300 0.330 0.000 1.311 22 I CB 0.526 38.649 38.000 0.206 0.000 1.401 22 I HN 0.363 nan 8.210 nan 0.000 0.491 23 F N 8.129 128.018 119.950 -0.101 0.000 2.371 23 F HA 0.604 5.131 4.527 -0.000 0.000 0.363 23 F C -0.429 175.243 175.800 -0.213 0.000 1.122 23 F CA -0.329 57.413 58.000 -0.431 0.000 1.129 23 F CB 0.354 38.945 39.000 -0.682 0.000 1.173 23 F HN 0.185 nan 8.300 nan 0.000 0.489 24 I N 5.661 125.950 120.570 -0.468 0.000 2.607 24 I HA 0.177 4.347 4.170 -0.000 0.000 0.290 24 I C -0.420 175.449 176.117 -0.414 0.000 1.129 24 I CA -1.032 60.053 61.300 -0.359 0.000 1.042 24 I CB 1.872 39.686 38.000 -0.310 0.000 1.242 24 I HN 0.499 nan 8.210 nan 0.000 0.421 25 N N 4.689 123.163 118.700 -0.376 0.000 2.721 25 N HA -0.214 4.526 4.740 -0.000 0.000 0.249 25 N C 0.098 175.359 175.510 -0.415 0.000 1.072 25 N CA 0.953 53.830 53.050 -0.289 0.000 0.710 25 N CB -0.862 37.538 38.487 -0.144 0.000 0.993 25 N HN 0.797 nan 8.380 nan 0.000 0.547 26 N N -1.519 116.691 118.700 -0.818 0.000 2.753 26 N HA -0.210 4.530 4.740 -0.000 0.000 0.251 26 N C -0.679 174.374 175.510 -0.762 0.000 1.097 26 N CA 1.673 54.214 53.050 -0.848 0.000 0.786 26 N CB -0.829 37.527 38.487 -0.219 0.000 1.137 26 N HN 0.720 nan 8.380 nan 0.000 0.566 27 E N -1.321 118.368 120.200 -0.852 0.000 2.312 27 E HA 0.439 4.789 4.350 -0.000 0.000 0.267 27 E C -0.627 175.566 176.600 -0.678 0.000 0.894 27 E CA -0.732 55.335 56.400 -0.554 0.000 0.773 27 E CB 1.012 30.501 29.700 -0.352 0.000 1.241 27 E HN 0.105 nan 8.360 nan 0.000 0.432 28 W N 2.056 123.188 121.300 -0.280 0.000 2.338 28 W HA 0.289 4.949 4.660 -0.000 0.000 0.307 28 W C 0.260 176.582 176.519 -0.328 0.000 1.167 28 W CA -0.235 57.031 57.345 -0.131 0.000 1.208 28 W CB 0.769 30.236 29.460 0.011 0.000 1.228 28 W HN 0.303 nan 8.180 nan 0.000 0.499 29 H N 1.700 120.905 119.070 0.226 0.000 2.690 29 H HA 0.241 4.797 4.556 -0.000 0.000 0.368 29 H C -0.746 174.670 175.328 0.147 0.000 1.150 29 H CA -0.949 55.179 56.048 0.133 0.000 1.174 29 H CB 2.005 31.797 29.762 0.049 0.000 1.684 29 H HN 0.214 nan 8.280 nan 0.000 0.538 30 D N 0.628 121.161 120.400 0.222 0.000 2.312 30 D HA 0.305 4.945 4.640 -0.000 0.000 0.248 30 D C 0.263 176.647 176.300 0.141 0.000 1.086 30 D CA -0.404 53.688 54.000 0.153 0.000 0.948 30 D CB 1.396 42.259 40.800 0.104 0.000 1.162 30 D HN 0.624 nan 8.370 nan 0.000 0.446 31 A N 0.991 123.879 122.820 0.113 0.000 2.483 31 A HA 0.084 4.404 4.320 -0.000 0.000 0.238 31 A C 1.552 179.182 177.584 0.076 0.000 1.070 31 A CA -0.383 51.709 52.037 0.092 0.000 0.770 31 A CB 0.314 19.366 19.000 0.088 0.000 1.008 31 A HN 0.433 nan 8.150 nan 0.000 0.497 32 V N 2.191 122.140 119.914 0.059 0.000 2.469 32 V HA -0.234 3.886 4.120 -0.000 0.000 0.251 32 V C 2.513 178.637 176.094 0.050 0.000 1.064 32 V CA 2.653 64.982 62.300 0.049 0.000 1.066 32 V CB -0.834 31.010 31.823 0.034 0.000 0.667 32 V HN 1.089 nan 8.190 nan 0.000 0.461 33 S N -1.002 114.730 115.700 0.054 0.000 2.603 33 S HA -0.001 4.469 4.470 -0.000 0.000 0.220 33 S C 1.204 175.838 174.600 0.057 0.000 0.967 33 S CA -0.015 58.218 58.200 0.054 0.000 0.920 33 S CB -0.119 63.117 63.200 0.060 0.000 0.773 33 S HN 0.554 nan 8.310 nan 0.000 0.529 34 R N 0.054 120.590 120.500 0.061 0.000 4.010 34 R HA -0.140 4.200 4.340 -0.000 0.000 0.409 34 R C -0.620 175.717 176.300 0.061 0.000 1.120 34 R CA 1.262 57.397 56.100 0.058 0.000 1.244 34 R CB -2.154 28.176 30.300 0.049 0.000 1.799 34 R HN 0.579 nan 8.270 nan 0.000 0.559 35 K N 1.471 121.915 120.400 0.073 0.000 2.258 35 K HA 0.241 4.561 4.320 -0.000 0.000 0.264 35 K C 0.838 177.495 176.600 0.096 0.000 1.007 35 K CA 0.649 56.988 56.287 0.087 0.000 0.941 35 K CB 0.769 33.333 32.500 0.106 0.000 0.966 35 K HN 0.229 nan 8.250 nan 0.000 0.480 36 T N -1.065 113.548 114.554 0.099 0.000 2.896 36 T HA 0.665 5.015 4.350 -0.000 0.000 0.297 36 T C -0.780 174.007 174.700 0.145 0.000 1.108 36 T CA -1.049 61.092 62.100 0.067 0.000 1.004 36 T CB 0.750 69.604 68.868 -0.023 0.000 1.159 36 T HN 0.489 nan 8.240 nan 0.000 0.499 37 F N -0.566 119.379 119.950 -0.009 0.000 2.563 37 F HA 0.870 5.397 4.527 -0.000 0.000 0.316 37 F C -3.066 172.754 175.800 0.033 0.000 1.076 37 F CA -2.980 55.041 58.000 0.035 0.000 0.921 37 F CB 1.591 40.589 39.000 -0.003 0.000 1.209 37 F HN 0.401 nan 8.300 nan 0.000 0.462 38 P HA 0.166 nan 4.420 nan 0.000 0.284 38 P C -0.942 176.410 177.300 0.087 0.000 1.253 38 P CA -0.154 62.960 63.100 0.023 0.000 0.800 38 P CB 1.920 33.665 31.700 0.074 0.000 0.961 39 T N 2.161 116.708 114.554 -0.012 0.000 2.770 39 T HA 0.376 4.726 4.350 -0.000 0.000 0.283 39 T C -0.527 174.188 174.700 0.025 0.000 0.988 39 T CA -0.496 61.629 62.100 0.042 0.000 0.957 39 T CB 0.252 69.118 68.868 -0.003 0.000 0.930 39 T HN 0.064 nan 8.240 nan 0.000 0.443 40 V N 5.781 125.721 119.914 0.042 0.000 2.617 40 V HA 0.435 4.555 4.120 -0.000 0.000 0.298 40 V C 0.536 176.646 176.094 0.028 0.000 1.048 40 V CA -1.104 61.219 62.300 0.038 0.000 0.964 40 V CB 1.658 33.522 31.823 0.068 0.000 1.004 40 V HN 0.864 nan 8.190 nan 0.000 0.466 41 N N 6.419 125.134 118.700 0.025 0.000 2.402 41 N HA 0.203 4.943 4.740 -0.000 0.000 0.252 41 N C -1.274 174.252 175.510 0.026 0.000 1.118 41 N CA -2.056 51.006 53.050 0.020 0.000 0.945 41 N CB 1.454 39.955 38.487 0.023 0.000 1.147 41 N HN 0.332 nan 8.380 nan 0.000 0.495 42 P HA -0.070 nan 4.420 nan 0.000 0.226 42 P C 0.551 177.777 177.300 -0.123 0.000 1.146 42 P CA 0.820 63.972 63.100 0.087 0.000 0.773 42 P CB 0.415 32.114 31.700 -0.002 0.000 0.772 43 S N -0.714 114.931 115.700 -0.092 0.000 2.470 43 S HA -0.027 4.443 4.470 -0.000 0.000 0.225 43 S C 1.827 176.467 174.600 0.067 0.000 1.006 43 S CA 1.660 59.855 58.200 -0.009 0.000 0.934 43 S CB -0.503 62.774 63.200 0.128 0.000 0.778 43 S HN 0.456 nan 8.310 nan 0.000 0.517 44 T N -3.319 111.217 114.554 -0.030 0.000 2.964 44 T HA 0.465 4.815 4.350 -0.000 0.000 0.250 44 T C 1.527 176.145 174.700 -0.138 0.000 0.982 44 T CA 0.847 62.914 62.100 -0.054 0.000 0.959 44 T CB 0.335 69.191 68.868 -0.021 0.000 1.141 44 T HN 0.477 nan 8.240 nan 0.000 0.494 45 G N 1.494 110.203 108.800 -0.153 0.000 2.176 45 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.253 45 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.253 45 G C -0.209 174.673 174.900 -0.029 0.000 0.979 45 G CA 0.184 45.201 45.100 -0.138 0.000 0.641 45 G HN 0.684 nan 8.290 nan 0.000 0.530 46 E N -0.139 120.045 120.200 -0.027 0.000 2.319 46 E HA 0.497 4.847 4.350 -0.000 0.000 0.268 46 E C 0.345 176.945 176.600 -0.000 0.000 1.050 46 E CA -0.791 55.601 56.400 -0.013 0.000 0.878 46 E CB 2.069 31.755 29.700 -0.023 0.000 1.066 46 E HN 0.072 nan 8.360 nan 0.000 0.406 47 V N 3.976 123.890 119.914 -0.001 0.000 2.572 47 V HA -0.075 4.045 4.120 -0.000 0.000 0.291 47 V C 1.277 177.359 176.094 -0.020 0.000 1.039 47 V CA 0.126 62.425 62.300 -0.003 0.000 1.055 47 V CB 0.573 32.394 31.823 -0.003 0.000 0.969 47 V HN 0.671 nan 8.190 nan 0.000 0.482 48 I N 3.834 124.389 120.570 -0.024 0.000 2.296 48 I HA 0.065 4.235 4.170 -0.000 0.000 0.242 48 I C 0.924 177.005 176.117 -0.060 0.000 1.087 48 I CA 1.451 62.728 61.300 -0.039 0.000 1.393 48 I CB -0.390 37.590 38.000 -0.034 0.000 1.093 48 I HN 0.922 nan 8.210 nan 0.000 0.421 49 C N -1.229 118.029 119.300 -0.071 0.000 3.165 49 C HA 0.461 4.921 4.460 -0.000 0.000 0.345 49 C C -0.858 174.054 174.990 -0.129 0.000 1.367 49 C CA -1.097 57.865 59.018 -0.093 0.000 1.205 49 C CB 1.428 29.104 27.740 -0.106 0.000 1.447 49 C HN 0.299 nan 8.230 nan 0.000 0.451 50 Q N 0.518 120.234 119.800 -0.141 0.000 2.227 50 Q HA 0.759 5.099 4.340 -0.000 0.000 0.245 50 Q C -0.638 175.186 176.000 -0.295 0.000 0.926 50 Q CA -0.224 55.459 55.803 -0.200 0.000 0.895 50 Q CB 1.873 30.537 28.738 -0.122 0.000 1.230 50 Q HN 0.764 nan 8.270 nan 0.000 0.450 51 V N 0.550 120.150 119.914 -0.524 0.000 2.760 51 V HA 0.454 4.574 4.120 -0.000 0.000 0.309 51 V C -0.518 175.326 176.094 -0.416 0.000 1.077 51 V CA -1.244 60.726 62.300 -0.550 0.000 0.910 51 V CB 1.907 33.204 31.823 -0.877 0.000 1.008 51 V HN 0.894 nan 8.190 nan 0.000 0.424 52 A N 2.822 125.581 122.820 -0.102 0.000 2.566 52 A HA 0.157 4.477 4.320 -0.000 0.000 0.245 52 A C 0.452 178.146 177.584 0.184 0.000 1.056 52 A CA 0.338 52.406 52.037 0.052 0.000 0.757 52 A CB -0.110 18.959 19.000 0.115 0.000 0.979 52 A HN 0.887 nan 8.150 nan 0.000 0.508 53 E N 3.256 123.583 120.200 0.213 0.000 1.893 53 E HA 0.324 4.674 4.350 -0.000 0.000 0.269 53 E C 0.654 177.294 176.600 0.067 0.000 1.129 53 E CA -0.216 56.298 56.400 0.190 0.000 0.904 53 E CB 0.178 29.951 29.700 0.121 0.000 1.077 53 E HN 0.775 nan 8.360 nan 0.000 0.407 54 G N 3.579 112.414 108.800 0.058 0.000 2.483 54 G HA2 0.085 4.045 3.960 -0.000 0.000 0.248 54 G HA3 0.085 4.045 3.960 -0.000 0.000 0.248 54 G C -0.329 174.582 174.900 0.018 0.000 1.248 54 G CA -0.246 44.882 45.100 0.047 0.000 0.838 54 G HN 0.579 nan 8.290 nan 0.000 0.566 55 D N -0.392 120.031 120.400 0.038 0.000 2.798 55 D HA 0.216 4.855 4.640 -0.000 0.000 0.308 55 D C 1.372 177.700 176.300 0.047 0.000 1.187 55 D CA -0.773 53.254 54.000 0.045 0.000 1.033 55 D CB 1.728 42.560 40.800 0.054 0.000 1.445 55 D HN 0.258 nan 8.370 nan 0.000 0.550 56 K N 0.665 121.094 120.400 0.048 0.000 2.052 56 K HA -0.217 4.103 4.320 -0.000 0.000 0.215 56 K C 1.481 178.110 176.600 0.049 0.000 1.053 56 K CA 2.211 58.528 56.287 0.050 0.000 0.934 56 K CB -0.098 32.423 32.500 0.036 0.000 0.717 56 K HN 0.354 nan 8.250 nan 0.000 0.450 57 E N 0.013 120.236 120.200 0.037 0.000 2.160 57 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 57 E C 1.717 178.330 176.600 0.022 0.000 0.991 57 E CA 1.345 57.763 56.400 0.030 0.000 0.810 57 E CB -0.139 29.576 29.700 0.024 0.000 0.742 57 E HN 0.510 nan 8.360 nan 0.000 0.466 58 D N 0.396 120.810 120.400 0.024 0.000 2.123 58 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 58 D C 2.133 178.435 176.300 0.003 0.000 0.976 58 D CA 0.716 54.721 54.000 0.008 0.000 0.831 58 D CB 0.084 40.900 40.800 0.027 0.000 0.974 58 D HN 0.035 nan 8.370 nan 0.000 0.469 59 V N 1.864 121.795 119.914 0.029 0.000 2.427 59 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 59 V C 1.854 177.969 176.094 0.034 0.000 1.051 59 V CA 1.569 63.889 62.300 0.032 0.000 1.048 59 V CB -0.367 31.496 31.823 0.067 0.000 0.666 59 V HN 0.011 nan 8.190 nan 0.000 0.456 60 D N 0.148 120.597 120.400 0.082 0.000 2.117 60 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 60 D C 2.263 178.584 176.300 0.035 0.000 0.987 60 D CA 1.218 55.294 54.000 0.127 0.000 0.829 60 D CB -0.186 40.680 40.800 0.110 0.000 0.961 60 D HN 0.406 nan 8.370 nan 0.000 0.460 61 K N 0.447 120.839 120.400 -0.013 0.000 2.097 61 K HA -0.014 4.306 4.320 -0.000 0.000 0.206 61 K C 2.094 178.640 176.600 -0.090 0.000 1.049 61 K CA 1.105 57.354 56.287 -0.064 0.000 0.933 61 K CB -0.049 32.382 32.500 -0.115 0.000 0.717 61 K HN 0.030 nan 8.250 nan 0.000 0.442 62 A N 0.881 123.650 122.820 -0.086 0.000 1.898 62 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 62 A C 2.348 179.871 177.584 -0.102 0.000 1.181 62 A CA 1.376 53.356 52.037 -0.094 0.000 0.620 62 A CB -0.634 18.326 19.000 -0.067 0.000 0.819 62 A HN 0.066 nan 8.150 nan 0.000 0.442 63 V N 0.228 120.062 119.914 -0.134 0.000 2.343 63 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 63 V C 2.418 178.445 176.094 -0.112 0.000 1.051 63 V CA 2.323 64.499 62.300 -0.206 0.000 1.036 63 V CB -0.692 30.823 31.823 -0.512 0.000 0.654 63 V HN 0.537 nan 8.190 nan 0.000 0.451 64 K N 0.283 120.648 120.400 -0.059 0.000 2.097 64 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 64 K C 2.329 178.917 176.600 -0.020 0.000 1.050 64 K CA 1.407 57.683 56.287 -0.018 0.000 0.938 64 K CB -0.390 32.108 32.500 -0.003 0.000 0.718 64 K HN 0.474 nan 8.250 nan 0.000 0.442 65 A N 1.637 124.429 122.820 -0.047 0.000 1.877 65 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 65 A C 2.400 179.970 177.584 -0.024 0.000 1.186 65 A CA 1.822 53.830 52.037 -0.048 0.000 0.620 65 A CB -0.723 18.222 19.000 -0.092 0.000 0.822 65 A HN 0.321 nan 8.150 nan 0.000 0.443 66 A N -0.093 122.707 122.820 -0.035 0.000 1.877 66 A HA -0.180 4.139 4.320 -0.000 0.000 0.216 66 A C 2.191 179.813 177.584 0.063 0.000 1.186 66 A CA 2.276 54.308 52.037 -0.008 0.000 0.620 66 A CB -0.486 18.484 19.000 -0.049 0.000 0.822 66 A HN 0.478 nan 8.150 nan 0.000 0.443 67 R N 0.277 120.802 120.500 0.042 0.000 2.091 67 R HA -0.053 4.287 4.340 -0.000 0.000 0.238 67 R C 2.096 178.488 176.300 0.152 0.000 1.136 67 R CA 2.064 58.226 56.100 0.103 0.000 0.959 67 R CB -0.939 29.396 30.300 0.057 0.000 0.856 67 R HN 0.394 nan 8.270 nan 0.000 0.437 68 A N 0.109 122.984 122.820 0.093 0.000 1.933 68 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 68 A C 2.306 179.957 177.584 0.111 0.000 1.175 68 A CA 1.668 53.755 52.037 0.084 0.000 0.628 68 A CB -0.927 18.099 19.000 0.044 0.000 0.814 68 A HN 0.489 nan 8.150 nan 0.000 0.444 69 A N -2.277 120.619 122.820 0.127 0.000 2.119 69 A HA 0.139 4.459 4.320 -0.000 0.000 0.217 69 A C 1.701 179.455 177.584 0.283 0.000 1.153 69 A CA 1.080 53.212 52.037 0.158 0.000 0.692 69 A CB -0.512 18.543 19.000 0.092 0.000 0.799 69 A HN 0.571 nan 8.150 nan 0.000 0.458 70 F N 0.243 120.273 119.950 0.135 0.000 2.765 70 F HA 0.197 4.724 4.527 -0.000 0.000 0.302 70 F C 0.761 176.631 175.800 0.117 0.000 1.111 70 F CA -0.180 57.920 58.000 0.167 0.000 1.359 70 F CB 0.159 39.241 39.000 0.137 0.000 1.097 70 F HN 0.086 nan 8.300 nan 0.000 0.577 71 Q N 1.578 121.431 119.800 0.088 0.000 2.349 71 Q HA 0.012 4.352 4.340 -0.000 0.000 0.287 71 Q C -0.202 175.751 176.000 -0.080 0.000 1.044 71 Q CA -0.036 55.775 55.803 0.014 0.000 0.918 71 Q CB 0.693 29.460 28.738 0.049 0.000 1.242 71 Q HN 0.244 nan 8.270 nan 0.000 0.405 72 L N 1.399 122.569 121.223 -0.087 0.000 2.540 72 L HA 0.145 4.485 4.340 -0.000 0.000 0.276 72 L C 1.258 178.099 176.870 -0.049 0.000 1.212 72 L CA 2.140 56.923 54.840 -0.095 0.000 0.893 72 L CB 0.134 42.157 42.059 -0.059 0.000 1.138 72 L HN 0.917 nan 8.230 nan 0.000 0.491 73 G N 1.912 110.682 108.800 -0.050 0.000 2.175 73 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.244 73 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.244 73 G C 0.347 175.247 174.900 -0.000 0.000 0.982 73 G CA 0.360 45.448 45.100 -0.020 0.000 0.641 73 G HN 1.097 nan 8.290 nan 0.000 0.527 74 S N 0.379 116.082 115.700 0.005 0.000 2.600 74 S HA 0.578 5.048 4.470 -0.000 0.000 0.265 74 S C -0.648 173.998 174.600 0.077 0.000 1.325 74 S CA -0.278 57.952 58.200 0.051 0.000 1.002 74 S CB 1.879 65.127 63.200 0.081 0.000 0.921 74 S HN -0.004 nan 8.310 nan 0.000 0.554 75 P HA -0.080 nan 4.420 nan 0.000 0.216 75 P C 1.218 178.659 177.300 0.235 0.000 1.150 75 P CA 1.119 64.306 63.100 0.145 0.000 0.837 75 P CB -0.084 31.705 31.700 0.147 0.000 0.786 76 W N 0.079 121.403 121.300 0.040 0.000 2.436 76 W HA -0.109 4.551 4.660 -0.000 0.000 0.284 76 W C 1.647 178.182 176.519 0.026 0.000 1.225 76 W CA 0.495 57.877 57.345 0.060 0.000 1.271 76 W CB -0.020 29.501 29.460 0.102 0.000 1.114 76 W HN -0.162 nan 8.180 nan 0.000 0.559 77 R N 0.417 120.917 120.500 0.000 0.000 2.093 77 R HA -0.032 4.308 4.340 -0.000 0.000 0.224 77 R C 2.060 178.271 176.300 -0.148 0.000 1.101 77 R CA 0.986 56.975 56.100 -0.185 0.000 0.979 77 R CB -0.732 29.446 30.300 -0.204 0.000 0.877 77 R HN 0.284 nan 8.270 nan 0.000 0.441 78 R N -0.135 120.326 120.500 -0.066 0.000 2.240 78 R HA 0.147 4.487 4.340 -0.000 0.000 0.203 78 R C 1.108 177.380 176.300 -0.047 0.000 1.011 78 R CA -0.140 55.931 56.100 -0.049 0.000 1.007 78 R CB -0.036 30.254 30.300 -0.017 0.000 0.911 78 R HN 0.115 nan 8.270 nan 0.000 0.468 79 M N 2.067 121.639 119.600 -0.046 0.000 2.251 79 M HA -0.061 4.419 4.480 -0.000 0.000 0.343 79 M C -0.616 175.650 176.300 -0.056 0.000 1.245 79 M CA 0.459 55.750 55.300 -0.015 0.000 1.061 79 M CB 0.513 33.132 32.600 0.033 0.000 1.723 79 M HN -0.053 nan 8.290 nan 0.000 0.449 80 D N 3.873 124.271 120.400 -0.003 0.000 2.455 80 D HA 0.075 4.715 4.640 -0.000 0.000 0.241 80 D C 0.806 177.102 176.300 -0.007 0.000 1.138 80 D CA 0.442 54.440 54.000 -0.004 0.000 0.877 80 D CB 1.188 41.996 40.800 0.015 0.000 1.187 80 D HN 0.776 nan 8.370 nan 0.000 0.451 81 A N 2.630 125.433 122.820 -0.029 0.000 1.948 81 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 81 A C 2.142 179.730 177.584 0.006 0.000 1.177 81 A CA 2.250 54.268 52.037 -0.032 0.000 0.636 81 A CB -0.519 18.480 19.000 -0.003 0.000 0.815 81 A HN 0.608 nan 8.150 nan 0.000 0.449 82 S N -1.193 114.525 115.700 0.030 0.000 2.399 82 S HA -0.243 4.227 4.470 -0.000 0.000 0.231 82 S C 1.892 176.534 174.600 0.071 0.000 1.022 82 S CA 1.560 59.786 58.200 0.043 0.000 0.983 82 S CB -0.704 62.521 63.200 0.042 0.000 0.803 82 S HN 0.718 nan 8.310 nan 0.000 0.480 83 H N 1.978 121.033 119.070 -0.026 0.000 2.428 83 H HA 0.206 4.762 4.556 -0.000 0.000 0.296 83 H C 2.253 177.569 175.328 -0.020 0.000 1.062 83 H CA 1.509 57.541 56.048 -0.026 0.000 1.350 83 H CB -0.153 29.591 29.762 -0.029 0.000 1.403 83 H HN 0.369 nan 8.280 nan 0.000 0.533 84 R N -0.754 119.706 120.500 -0.066 0.000 2.120 84 R HA -0.061 4.279 4.340 -0.000 0.000 0.234 84 R C 2.467 178.773 176.300 0.009 0.000 1.123 84 R CA 0.993 57.071 56.100 -0.038 0.000 0.975 84 R CB -0.429 29.835 30.300 -0.060 0.000 0.866 84 R HN 0.404 nan 8.270 nan 0.000 0.446 85 G N 1.099 109.903 108.800 0.008 0.000 2.408 85 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 85 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 85 G C 1.467 176.366 174.900 -0.002 0.000 1.150 85 G CA 0.079 45.199 45.100 0.034 0.000 0.776 85 G HN 0.162 nan 8.290 nan 0.000 0.542 86 R N -0.030 120.433 120.500 -0.062 0.000 2.081 86 R HA 0.058 4.398 4.340 -0.000 0.000 0.235 86 R C 2.597 178.814 176.300 -0.139 0.000 1.131 86 R CA 0.713 56.765 56.100 -0.080 0.000 0.960 86 R CB -0.688 29.575 30.300 -0.061 0.000 0.856 86 R HN 0.365 nan 8.270 nan 0.000 0.436 87 L N 0.607 121.653 121.223 -0.295 0.000 2.056 87 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 87 L C 2.535 179.383 176.870 -0.037 0.000 1.078 87 L CA 1.081 55.683 54.840 -0.398 0.000 0.749 87 L CB -0.465 40.995 42.059 -0.998 0.000 0.901 87 L HN 0.174 nan 8.230 nan 0.000 0.433 88 L N -0.259 121.049 121.223 0.142 0.000 2.131 88 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 88 L C 2.340 179.316 176.870 0.176 0.000 1.092 88 L CA 0.892 55.906 54.840 0.289 0.000 0.759 88 L CB -0.473 41.746 42.059 0.267 0.000 0.903 88 L HN 0.370 nan 8.230 nan 0.000 0.435 89 N N -0.101 118.658 118.700 0.099 0.000 2.216 89 N HA -0.171 4.569 4.740 -0.000 0.000 0.183 89 N C 1.940 177.495 175.510 0.074 0.000 1.017 89 N CA 0.844 53.940 53.050 0.076 0.000 0.861 89 N CB -0.089 38.424 38.487 0.044 0.000 0.986 89 N HN 0.160 nan 8.380 nan 0.000 0.428 90 R N 1.167 121.704 120.500 0.061 0.000 2.075 90 R HA 0.009 4.349 4.340 -0.000 0.000 0.232 90 R C 2.043 178.403 176.300 0.101 0.000 1.126 90 R CA 0.762 56.899 56.100 0.061 0.000 0.963 90 R CB -0.937 29.377 30.300 0.023 0.000 0.858 90 R HN 0.144 nan 8.270 nan 0.000 0.435 91 L N 0.345 121.665 121.223 0.162 0.000 2.042 91 L HA -0.033 4.307 4.340 -0.000 0.000 0.210 91 L C 2.112 179.053 176.870 0.119 0.000 1.076 91 L CA 2.311 57.254 54.840 0.171 0.000 0.749 91 L CB -1.029 41.170 42.059 0.233 0.000 0.893 91 L HN 0.281 nan 8.230 nan 0.000 0.432 92 A N -0.847 122.043 122.820 0.117 0.000 1.902 92 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 92 A C 1.990 179.623 177.584 0.083 0.000 1.181 92 A CA 1.881 53.977 52.037 0.098 0.000 0.623 92 A CB -0.881 18.178 19.000 0.098 0.000 0.818 92 A HN 0.539 nan 8.150 nan 0.000 0.443 93 D N 0.153 120.600 120.400 0.078 0.000 2.117 93 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 93 D C 1.930 178.275 176.300 0.074 0.000 0.987 93 D CA 1.079 55.120 54.000 0.068 0.000 0.829 93 D CB -0.366 40.469 40.800 0.059 0.000 0.961 93 D HN 0.475 nan 8.370 nan 0.000 0.460 94 L N 0.327 121.599 121.223 0.080 0.000 2.056 94 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 94 L C 2.515 179.452 176.870 0.112 0.000 1.078 94 L CA 0.654 55.545 54.840 0.085 0.000 0.749 94 L CB -0.283 41.819 42.059 0.072 0.000 0.901 94 L HN 0.026 nan 8.230 nan 0.000 0.433 95 I N -0.159 120.477 120.570 0.111 0.000 2.286 95 I HA -0.282 3.887 4.170 -0.000 0.000 0.248 95 I C 2.586 178.770 176.117 0.112 0.000 1.115 95 I CA 1.333 62.710 61.300 0.129 0.000 1.392 95 I CB -0.220 37.843 38.000 0.104 0.000 1.065 95 I HN 0.354 nan 8.210 nan 0.000 0.418 96 E N 1.239 121.489 120.200 0.083 0.000 2.072 96 E HA -0.263 4.087 4.350 -0.000 0.000 0.191 96 E C 2.390 179.046 176.600 0.093 0.000 0.985 96 E CA 0.917 57.355 56.400 0.064 0.000 0.801 96 E CB 0.000 29.731 29.700 0.052 0.000 0.750 96 E HN 0.253 nan 8.360 nan 0.000 0.452 97 R N 0.408 120.969 120.500 0.101 0.000 2.083 97 R HA -0.150 4.190 4.340 -0.000 0.000 0.237 97 R C 0.404 176.787 176.300 0.139 0.000 1.137 97 R CA 1.888 58.052 56.100 0.107 0.000 0.951 97 R CB -0.027 30.328 30.300 0.091 0.000 0.851 97 R HN 0.113 nan 8.270 nan 0.000 0.434 98 D N -0.176 120.328 120.400 0.173 0.000 2.561 98 D HA 0.027 4.667 4.640 -0.000 0.000 0.232 98 D C 1.033 177.484 176.300 0.251 0.000 1.198 98 D CA -0.016 54.124 54.000 0.234 0.000 0.826 98 D CB 0.261 41.258 40.800 0.328 0.000 0.992 98 D HN 0.258 nan 8.370 nan 0.000 0.490 99 R N 0.261 120.877 120.500 0.194 0.000 2.082 99 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 99 R C 1.502 177.967 176.300 0.274 0.000 1.136 99 R CA 1.664 57.851 56.100 0.145 0.000 0.935 99 R CB -0.125 30.188 30.300 0.022 0.000 0.842 99 R HN -0.019 nan 8.270 nan 0.000 0.430 100 T N 0.231 115.035 114.554 0.417 0.000 2.720 100 T HA -0.235 4.115 4.350 -0.000 0.000 0.268 100 T C 1.410 176.349 174.700 0.399 0.000 1.037 100 T CA 1.742 64.142 62.100 0.501 0.000 1.144 100 T CB -0.542 68.550 68.868 0.373 0.000 0.864 100 T HN 0.429 nan 8.240 nan 0.000 0.444 101 Y N 1.677 122.089 120.300 0.187 0.000 2.114 101 Y HA -0.040 4.510 4.550 -0.000 0.000 0.284 101 Y C 2.040 177.994 175.900 0.090 0.000 1.143 101 Y CA 1.066 59.226 58.100 0.099 0.000 1.135 101 Y CB -0.613 37.845 38.460 -0.003 0.000 0.980 101 Y HN 0.108 nan 8.280 nan 0.000 0.499 102 L N -0.083 121.098 121.223 -0.070 0.000 2.083 102 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 102 L C 2.778 179.619 176.870 -0.049 0.000 1.083 102 L CA 1.159 55.914 54.840 -0.142 0.000 0.752 102 L CB -0.915 41.186 42.059 0.070 0.000 0.899 102 L HN 0.401 nan 8.230 nan 0.000 0.433 103 A N -0.144 122.735 122.820 0.098 0.000 1.902 103 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 103 A C 2.507 180.252 177.584 0.269 0.000 1.181 103 A CA 1.683 53.809 52.037 0.148 0.000 0.623 103 A CB -0.612 18.498 19.000 0.183 0.000 0.818 103 A HN 0.407 nan 8.150 nan 0.000 0.443 104 A N -0.570 122.469 122.820 0.365 0.000 1.873 104 A HA 0.013 4.333 4.320 -0.000 0.000 0.215 104 A C 2.098 179.774 177.584 0.153 0.000 1.186 104 A CA 1.625 53.876 52.037 0.357 0.000 0.616 104 A CB -0.636 18.490 19.000 0.210 0.000 0.823 104 A HN 0.661 nan 8.150 nan 0.000 0.442 105 L N -0.077 121.076 121.223 -0.117 0.000 2.131 105 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 105 L C 2.170 179.001 176.870 -0.065 0.000 1.092 105 L CA 2.610 57.341 54.840 -0.182 0.000 0.759 105 L CB -0.546 41.227 42.059 -0.477 0.000 0.903 105 L HN 0.521 nan 8.230 nan 0.000 0.435 106 E N -1.020 119.154 120.200 -0.043 0.000 2.028 106 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 106 E C 2.049 178.626 176.600 -0.037 0.000 0.988 106 E CA 2.020 58.404 56.400 -0.026 0.000 0.799 106 E CB -0.398 29.291 29.700 -0.018 0.000 0.755 106 E HN 0.456 nan 8.360 nan 0.000 0.447 107 T N 0.971 115.497 114.554 -0.046 0.000 2.746 107 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 107 T C 1.723 176.357 174.700 -0.109 0.000 1.039 107 T CA 1.235 63.239 62.100 -0.160 0.000 1.142 107 T CB -0.374 68.261 68.868 -0.389 0.000 0.866 107 T HN 0.122 nan 8.240 nan 0.000 0.444 108 L N 1.194 122.449 121.223 0.054 0.000 2.046 108 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 108 L C 1.978 178.873 176.870 0.041 0.000 1.077 108 L CA 1.897 56.821 54.840 0.140 0.000 0.747 108 L CB -0.424 41.734 42.059 0.164 0.000 0.896 108 L HN 0.067 nan 8.230 nan 0.000 0.432 109 D N -1.670 118.735 120.400 0.008 0.000 2.240 109 D HA -0.124 4.516 4.640 -0.000 0.000 0.206 109 D C 1.894 178.179 176.300 -0.024 0.000 0.963 109 D CA 0.628 54.626 54.000 -0.002 0.000 0.863 109 D CB 0.044 40.849 40.800 0.008 0.000 0.973 109 D HN 0.401 nan 8.370 nan 0.000 0.501 110 N N -0.591 118.084 118.700 -0.043 0.000 2.387 110 N HA -0.029 4.711 4.740 -0.000 0.000 0.176 110 N C 1.346 176.785 175.510 -0.119 0.000 1.022 110 N CA 1.586 54.596 53.050 -0.066 0.000 0.883 110 N CB 0.784 39.233 38.487 -0.063 0.000 1.019 110 N HN 0.250 nan 8.380 nan 0.000 0.435 111 G N 1.336 110.057 108.800 -0.131 0.000 2.213 111 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.226 111 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.226 111 G C -0.100 174.686 174.900 -0.189 0.000 0.992 111 G CA 0.383 45.382 45.100 -0.168 0.000 0.632 111 G HN 0.658 nan 8.290 nan 0.000 0.511 112 K N 0.922 121.206 120.400 -0.193 0.000 2.355 112 K HA 0.497 4.817 4.320 -0.000 0.000 0.270 112 K C -2.712 173.781 176.600 -0.178 0.000 1.003 112 K CA -1.442 54.725 56.287 -0.201 0.000 0.957 112 K CB 0.622 32.978 32.500 -0.239 0.000 0.939 112 K HN 0.051 nan 8.250 nan 0.000 0.482 113 P HA -0.125 nan 4.420 nan 0.000 0.262 113 P C -0.295 176.959 177.300 -0.077 0.000 1.182 113 P CA 0.035 63.081 63.100 -0.090 0.000 0.761 113 P CB 0.119 31.807 31.700 -0.020 0.000 0.795 114 Y N 4.827 124.985 120.300 -0.236 0.000 2.193 114 Y HA -0.263 4.287 4.550 -0.000 0.000 0.285 114 Y C 1.829 177.736 175.900 0.011 0.000 1.166 114 Y CA 1.775 59.782 58.100 -0.156 0.000 1.181 114 Y CB -0.834 37.531 38.460 -0.159 0.000 0.976 114 Y HN 0.088 nan 8.280 nan 0.000 0.520 115 V N 0.384 120.265 119.914 -0.054 0.000 2.332 115 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 115 V C 2.325 178.397 176.094 -0.038 0.000 1.055 115 V CA 1.824 64.079 62.300 -0.073 0.000 1.038 115 V CB -0.649 31.203 31.823 0.048 0.000 0.651 115 V HN 0.440 nan 8.190 nan 0.000 0.450 116 I N -0.320 120.251 120.570 0.002 0.000 2.286 116 I HA -0.121 4.049 4.170 -0.000 0.000 0.245 116 I C 2.575 178.708 176.117 0.026 0.000 1.104 116 I CA 1.343 62.684 61.300 0.068 0.000 1.397 116 I CB -1.502 36.556 38.000 0.096 0.000 1.072 116 I HN 0.252 nan 8.210 nan 0.000 0.417 117 S N 0.126 115.793 115.700 -0.056 0.000 2.370 117 S HA -0.226 4.244 4.470 -0.000 0.000 0.226 117 S C 2.039 176.593 174.600 -0.076 0.000 1.033 117 S CA 1.375 59.538 58.200 -0.061 0.000 1.011 117 S CB -0.430 62.726 63.200 -0.073 0.000 0.852 117 S HN 0.463 nan 8.310 nan 0.000 0.457 118 Y N 1.530 121.645 120.300 -0.309 0.000 2.176 118 Y HA 0.087 4.637 4.550 -0.000 0.000 0.291 118 Y C 1.903 177.737 175.900 -0.111 0.000 1.122 118 Y CA 1.283 59.222 58.100 -0.268 0.000 1.128 118 Y CB -0.175 37.987 38.460 -0.497 0.000 1.005 118 Y HN 0.110 nan 8.280 nan 0.000 0.509 119 L N -1.332 119.950 121.223 0.097 0.000 2.240 119 L HA -0.094 4.246 4.340 -0.000 0.000 0.211 119 L C 1.671 178.568 176.870 0.044 0.000 1.106 119 L CA 0.460 55.350 54.840 0.083 0.000 0.793 119 L CB -0.232 41.904 42.059 0.128 0.000 0.927 119 L HN 0.170 nan 8.230 nan 0.000 0.446 120 V N -0.990 118.963 119.914 0.065 0.000 2.868 120 V HA -0.053 4.067 4.120 -0.000 0.000 0.227 120 V C 1.645 177.782 176.094 0.071 0.000 1.136 120 V CA 0.886 63.248 62.300 0.103 0.000 1.206 120 V CB -0.218 31.740 31.823 0.225 0.000 0.997 120 V HN 0.177 nan 8.190 nan 0.000 0.505 121 D N 0.806 121.257 120.400 0.084 0.000 2.103 121 D HA -0.189 4.451 4.640 -0.000 0.000 0.190 121 D C 2.085 178.387 176.300 0.004 0.000 0.997 121 D CA 1.381 55.415 54.000 0.056 0.000 0.833 121 D CB -0.237 40.602 40.800 0.065 0.000 0.961 121 D HN 0.084 nan 8.370 nan 0.000 0.447 122 L N 0.647 121.843 121.223 -0.044 0.000 2.083 122 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 122 L C 1.977 178.805 176.870 -0.071 0.000 1.083 122 L CA 1.647 56.440 54.840 -0.078 0.000 0.752 122 L CB -1.055 40.895 42.059 -0.181 0.000 0.899 122 L HN 0.114 nan 8.230 nan 0.000 0.433 123 D N -0.484 119.868 120.400 -0.079 0.000 2.117 123 D HA -0.218 4.422 4.640 -0.000 0.000 0.197 123 D C 2.318 178.628 176.300 0.016 0.000 0.987 123 D CA 1.308 55.282 54.000 -0.042 0.000 0.829 123 D CB 0.075 40.857 40.800 -0.030 0.000 0.961 123 D HN 0.182 nan 8.370 nan 0.000 0.460 124 M N -0.617 119.004 119.600 0.035 0.000 2.229 124 M HA -0.092 4.388 4.480 -0.000 0.000 0.264 124 M C 2.147 178.514 176.300 0.111 0.000 1.063 124 M CA 0.507 55.853 55.300 0.077 0.000 1.114 124 M CB 0.137 32.779 32.600 0.070 0.000 1.387 124 M HN -0.015 nan 8.290 nan 0.000 0.420 125 V N 0.756 120.716 119.914 0.076 0.000 2.307 125 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 125 V C 2.215 178.375 176.094 0.110 0.000 1.045 125 V CA 1.636 63.994 62.300 0.097 0.000 1.024 125 V CB -0.447 31.410 31.823 0.056 0.000 0.651 125 V HN 0.437 nan 8.190 nan 0.000 0.449 126 L N -0.570 120.698 121.223 0.075 0.000 2.017 126 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 126 L C 2.549 179.480 176.870 0.100 0.000 1.073 126 L CA 1.808 56.694 54.840 0.077 0.000 0.745 126 L CB -0.639 41.445 42.059 0.041 0.000 0.894 126 L HN 0.250 nan 8.230 nan 0.000 0.432 127 K N -0.878 119.579 120.400 0.094 0.000 2.097 127 K HA -0.202 4.118 4.320 -0.000 0.000 0.206 127 K C 2.303 178.992 176.600 0.148 0.000 1.049 127 K CA 1.541 57.889 56.287 0.103 0.000 0.933 127 K CB -0.481 32.064 32.500 0.074 0.000 0.717 127 K HN 0.405 nan 8.250 nan 0.000 0.442 128 C N 1.155 120.563 119.300 0.179 0.000 2.462 128 C HA -0.042 4.418 4.460 -0.000 0.000 0.278 128 C C 2.412 177.605 174.990 0.338 0.000 1.253 128 C CA 0.547 59.718 59.018 0.255 0.000 1.713 128 C CB -0.915 27.025 27.740 0.332 0.000 2.049 128 C HN 0.402 nan 8.230 nan 0.000 0.477 129 L N 0.367 121.750 121.223 0.267 0.000 2.042 129 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 129 L C 3.007 180.015 176.870 0.230 0.000 1.076 129 L CA 1.814 56.805 54.840 0.252 0.000 0.749 129 L CB -0.707 41.459 42.059 0.180 0.000 0.893 129 L HN 0.356 nan 8.230 nan 0.000 0.432 130 R N -1.429 119.179 120.500 0.179 0.000 2.115 130 R HA -0.178 4.161 4.340 -0.000 0.000 0.226 130 R C 2.234 178.601 176.300 0.111 0.000 1.100 130 R CA 1.252 57.429 56.100 0.128 0.000 0.980 130 R CB -0.352 30.006 30.300 0.096 0.000 0.875 130 R HN 0.298 nan 8.270 nan 0.000 0.445 131 Y N 0.100 120.409 120.300 0.014 0.000 2.109 131 Y HA -0.258 4.292 4.550 -0.000 0.000 0.285 131 Y C 1.626 177.482 175.900 -0.073 0.000 1.131 131 Y CA 1.479 59.525 58.100 -0.091 0.000 1.121 131 Y CB -0.491 37.865 38.460 -0.173 0.000 0.987 131 Y HN -0.020 nan 8.280 nan 0.000 0.495 132 Y N -0.031 120.372 120.300 0.171 0.000 2.352 132 Y HA -0.143 4.407 4.550 -0.000 0.000 0.292 132 Y C 2.600 178.544 175.900 0.073 0.000 1.136 132 Y CA 0.734 58.919 58.100 0.142 0.000 1.227 132 Y CB -0.530 38.057 38.460 0.211 0.000 0.991 132 Y HN 0.308 nan 8.280 nan 0.000 0.545 133 A N 0.123 123.050 122.820 0.178 0.000 1.940 133 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 133 A C 2.499 180.098 177.584 0.024 0.000 1.176 133 A CA 1.802 53.909 52.037 0.116 0.000 0.631 133 A CB -1.389 17.666 19.000 0.091 0.000 0.814 133 A HN 0.466 nan 8.150 nan 0.000 0.446 134 G N -2.654 106.082 108.800 -0.106 0.000 2.534 134 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 134 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 134 G C 1.286 176.016 174.900 -0.283 0.000 1.128 134 G CA 0.581 45.541 45.100 -0.234 0.000 0.784 134 G HN 0.682 nan 8.290 nan 0.000 0.542 135 W N 0.505 121.707 121.300 -0.163 0.000 2.658 135 W HA 0.302 4.962 4.660 -0.000 0.000 0.263 135 W C 2.709 179.211 176.519 -0.028 0.000 1.274 135 W CA 0.182 57.461 57.345 -0.109 0.000 1.343 135 W CB 0.343 29.759 29.460 -0.073 0.000 1.106 135 W HN 0.238 nan 8.180 nan 0.000 0.615 136 A N 1.137 124.091 122.820 0.222 0.000 1.940 136 A HA -0.292 4.028 4.320 -0.000 0.000 0.221 136 A C 1.284 178.935 177.584 0.112 0.000 1.190 136 A CA 2.428 54.554 52.037 0.147 0.000 0.647 136 A CB -0.854 18.202 19.000 0.094 0.000 0.821 136 A HN 0.359 nan 8.150 nan 0.000 0.457 137 D N -2.364 118.083 120.400 0.079 0.000 2.670 137 D HA 0.253 4.893 4.640 -0.000 0.000 0.255 137 D C 0.436 176.743 176.300 0.012 0.000 1.286 137 D CA -0.080 53.950 54.000 0.049 0.000 0.830 137 D CB 0.106 40.925 40.800 0.032 0.000 1.065 137 D HN 0.483 nan 8.370 nan 0.000 0.486 138 K N -0.795 119.625 120.400 0.032 0.000 2.517 138 K HA 0.049 4.369 4.320 -0.000 0.000 0.210 138 K C -0.422 176.057 176.600 -0.201 0.000 1.166 138 K CA -0.455 55.731 56.287 -0.167 0.000 1.030 138 K CB 0.802 33.258 32.500 -0.073 0.000 0.974 138 K HN -0.034 nan 8.250 nan 0.000 0.585 139 Y N 3.159 123.427 120.300 -0.053 0.000 2.636 139 Y HA 0.127 4.677 4.550 -0.000 0.000 0.334 139 Y C -0.356 175.489 175.900 -0.092 0.000 1.286 139 Y CA -1.048 57.036 58.100 -0.028 0.000 1.688 139 Y CB -1.032 37.442 38.460 0.023 0.000 1.662 139 Y HN 0.073 nan 8.280 nan 0.000 0.465 140 H N 0.602 119.613 119.070 -0.099 0.000 2.852 140 H HA 0.346 4.902 4.556 -0.000 0.000 0.362 140 H C 0.959 175.880 175.328 -0.678 0.000 1.122 140 H CA 0.433 56.330 56.048 -0.253 0.000 1.419 140 H CB 0.732 30.410 29.762 -0.139 0.000 1.401 140 H HN 0.686 nan 8.280 nan 0.000 0.609 141 G N 0.442 108.964 108.800 -0.463 0.000 2.583 141 G HA2 0.496 4.455 3.960 -0.000 0.000 0.280 141 G HA3 0.496 4.455 3.960 -0.000 0.000 0.280 141 G C -0.826 173.924 174.900 -0.249 0.000 1.376 141 G CA -0.904 43.794 45.100 -0.671 0.000 1.043 141 G HN 0.545 nan 8.290 nan 0.000 0.538 142 K N -0.599 119.740 120.400 -0.101 0.000 2.435 142 K HA 0.524 4.843 4.320 -0.000 0.000 0.251 142 K C -1.033 175.603 176.600 0.060 0.000 0.954 142 K CA -0.708 55.567 56.287 -0.020 0.000 0.820 142 K CB 2.183 34.679 32.500 -0.006 0.000 1.292 142 K HN 0.588 nan 8.250 nan 0.000 0.436 143 T N -0.587 114.013 114.554 0.077 0.000 2.756 143 T HA 0.554 4.904 4.350 -0.000 0.000 0.290 143 T C -0.021 174.755 174.700 0.128 0.000 0.985 143 T CA -0.703 61.496 62.100 0.165 0.000 0.955 143 T CB -0.070 68.929 68.868 0.218 0.000 0.930 143 T HN 0.348 nan 8.240 nan 0.000 0.451 144 I N 5.545 126.190 120.570 0.125 0.000 2.359 144 I HA 0.336 4.506 4.170 -0.000 0.000 0.294 144 I C -1.739 174.446 176.117 0.114 0.000 0.987 144 I CA -2.671 58.682 61.300 0.088 0.000 1.225 144 I CB 2.115 40.142 38.000 0.044 0.000 1.366 144 I HN 0.486 nan 8.210 nan 0.000 0.466 145 P HA 0.150 nan 4.420 nan 0.000 0.226 145 P C 0.046 177.397 177.300 0.085 0.000 1.783 145 P CA 0.081 63.237 63.100 0.093 0.000 0.980 145 P CB 0.088 31.827 31.700 0.064 0.000 1.967 146 I N 0.914 121.545 120.570 0.101 0.000 2.938 146 I HA 0.044 4.214 4.170 -0.000 0.000 0.285 146 I C 0.365 176.557 176.117 0.124 0.000 1.182 146 I CA -0.049 61.303 61.300 0.086 0.000 1.388 146 I CB 0.656 38.694 38.000 0.064 0.000 1.390 146 I HN 0.026 nan 8.210 nan 0.000 0.600 147 D N 4.163 124.626 120.400 0.105 0.000 2.368 147 D HA 0.422 5.062 4.640 -0.000 0.000 0.240 147 D C 0.339 176.796 176.300 0.262 0.000 1.169 147 D CA 1.117 55.196 54.000 0.131 0.000 0.906 147 D CB 0.854 41.706 40.800 0.087 0.000 1.187 147 D HN 0.934 nan 8.370 nan 0.000 0.435 148 G N 1.289 110.224 108.800 0.224 0.000 2.828 148 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.463 148 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.463 148 G C -0.718 174.226 174.900 0.074 0.000 1.394 148 G CA -0.698 44.552 45.100 0.251 0.000 0.862 148 G HN 0.521 nan 8.290 nan 0.000 0.540 149 D N 0.968 121.157 120.400 -0.353 0.000 2.545 149 D HA 0.471 5.111 4.640 -0.000 0.000 0.227 149 D C -0.051 175.704 176.300 -0.908 0.000 1.150 149 D CA 1.062 54.767 54.000 -0.492 0.000 1.046 149 D CB -0.524 40.027 40.800 -0.416 0.000 1.098 149 D HN 0.288 nan 8.370 nan 0.000 0.502 150 F N 0.473 120.470 119.950 0.078 0.000 2.613 150 F HA 0.369 4.896 4.527 -0.000 0.000 0.310 150 F C -0.475 175.446 175.800 0.202 0.000 1.085 150 F CA -1.443 56.623 58.000 0.110 0.000 0.945 150 F CB 1.587 40.626 39.000 0.064 0.000 1.298 150 F HN -0.132 nan 8.300 nan 0.000 0.455 151 F N 2.258 122.350 119.950 0.238 0.000 2.403 151 F HA 0.663 5.190 4.527 -0.000 0.000 0.355 151 F C -0.583 175.349 175.800 0.220 0.000 1.119 151 F CA -1.147 56.967 58.000 0.190 0.000 1.007 151 F CB 1.040 40.136 39.000 0.161 0.000 1.194 151 F HN 0.282 nan 8.300 nan 0.000 0.443 152 S N 6.898 122.625 115.700 0.045 0.000 2.482 152 S HA 0.816 5.286 4.470 -0.000 0.000 0.303 152 S C -1.352 173.155 174.600 -0.154 0.000 1.091 152 S CA -0.251 57.851 58.200 -0.163 0.000 1.057 152 S CB 0.686 63.856 63.200 -0.050 0.000 1.031 152 S HN 0.702 nan 8.310 nan 0.000 0.485 153 Y N 0.082 120.159 120.300 -0.371 0.000 2.670 153 Y HA 0.762 5.312 4.550 -0.000 0.000 0.334 153 Y C -0.614 175.193 175.900 -0.154 0.000 1.185 153 Y CA -1.029 56.919 58.100 -0.254 0.000 1.053 153 Y CB 0.877 39.131 38.460 -0.343 0.000 1.298 153 Y HN 0.563 nan 8.280 nan 0.000 0.459 154 T N -0.315 114.298 114.554 0.099 0.000 2.887 154 T HA 0.697 5.047 4.350 -0.000 0.000 0.288 154 T C -0.960 173.834 174.700 0.156 0.000 1.021 154 T CA -1.039 61.091 62.100 0.050 0.000 1.000 154 T CB 1.836 70.755 68.868 0.086 0.000 1.034 154 T HN 0.826 nan 8.240 nan 0.000 0.467 155 R N 1.289 121.875 120.500 0.143 0.000 2.387 155 R HA 0.309 4.649 4.340 -0.000 0.000 0.314 155 R C -0.380 176.073 176.300 0.256 0.000 0.958 155 R CA -0.664 55.541 56.100 0.175 0.000 0.846 155 R CB 0.953 31.339 30.300 0.143 0.000 1.147 155 R HN 0.738 nan 8.270 nan 0.000 0.447 156 H N 2.664 121.772 119.070 0.063 0.000 2.908 156 H HA 0.103 4.659 4.556 -0.000 0.000 0.269 156 H C -0.250 175.142 175.328 0.106 0.000 1.303 156 H CA -0.255 55.840 56.048 0.079 0.000 1.341 156 H CB 0.793 30.597 29.762 0.071 0.000 1.519 156 H HN 0.405 nan 8.280 nan 0.000 0.505 157 E N 3.846 124.158 120.200 0.188 0.000 2.254 157 E HA 0.234 4.584 4.350 -0.000 0.000 0.261 157 E C -2.425 174.282 176.600 0.178 0.000 1.051 157 E CA -2.197 54.299 56.400 0.160 0.000 0.902 157 E CB 0.930 30.710 29.700 0.134 0.000 1.168 157 E HN 0.377 nan 8.360 nan 0.000 0.423 158 P HA -0.037 nan 4.420 nan 0.000 0.278 158 P C 0.496 177.928 177.300 0.220 0.000 1.238 158 P CA -0.081 63.181 63.100 0.270 0.000 0.794 158 P CB 0.845 32.816 31.700 0.450 0.000 0.955 159 V N 2.262 122.241 119.914 0.108 0.000 2.594 159 V HA 0.019 4.139 4.120 -0.000 0.000 0.253 159 V C 1.088 177.107 176.094 -0.126 0.000 1.069 159 V CA 2.763 65.067 62.300 0.007 0.000 1.082 159 V CB -1.173 30.629 31.823 -0.036 0.000 0.680 159 V HN 0.969 nan 8.190 nan 0.000 0.469 160 G N -1.030 107.571 108.800 -0.332 0.000 2.348 160 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.199 160 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.199 160 G C -0.441 174.046 174.900 -0.689 0.000 1.235 160 G CA -0.243 44.243 45.100 -1.025 0.000 1.264 160 G HN 0.578 nan 8.290 nan 0.000 0.543 161 V N 1.241 120.869 119.914 -0.477 0.000 2.405 161 V HA 0.401 4.521 4.120 -0.000 0.000 0.264 161 V C 0.461 176.475 176.094 -0.133 0.000 1.048 161 V CA -0.174 61.978 62.300 -0.246 0.000 0.966 161 V CB 0.258 31.967 31.823 -0.190 0.000 1.015 161 V HN 0.809 nan 8.190 nan 0.000 0.477 162 C N 4.892 124.159 119.300 -0.055 0.000 2.273 162 C HA 0.662 5.121 4.460 -0.000 0.000 0.328 162 C C 1.104 176.109 174.990 0.024 0.000 1.275 162 C CA -0.918 58.112 59.018 0.022 0.000 1.704 162 C CB 0.210 28.056 27.740 0.177 0.000 2.326 162 C HN 0.994 nan 8.230 nan 0.000 0.517 163 G N 3.241 112.050 108.800 0.016 0.000 2.333 163 G HA2 0.495 4.455 3.960 -0.000 0.000 0.290 163 G HA3 0.495 4.455 3.960 -0.000 0.000 0.290 163 G C -0.698 174.245 174.900 0.071 0.000 1.150 163 G CA -0.134 44.983 45.100 0.028 0.000 0.895 163 G HN 0.818 nan 8.290 nan 0.000 0.444 164 Q N 1.852 121.698 119.800 0.076 0.000 2.327 164 Q HA 0.416 4.756 4.340 -0.000 0.000 0.270 164 Q C -0.647 175.406 176.000 0.088 0.000 1.022 164 Q CA -0.404 55.457 55.803 0.096 0.000 0.773 164 Q CB 2.640 31.434 28.738 0.093 0.000 1.251 164 Q HN 0.517 nan 8.270 nan 0.000 0.457 165 I N 5.059 125.697 120.570 0.113 0.000 2.355 165 I HA 0.442 4.612 4.170 -0.000 0.000 0.288 165 I C -0.112 175.991 176.117 -0.024 0.000 0.999 165 I CA -0.799 60.568 61.300 0.110 0.000 1.163 165 I CB 0.844 39.014 38.000 0.283 0.000 1.316 165 I HN 0.540 nan 8.210 nan 0.000 0.454 166 I N 5.617 126.166 120.570 -0.034 0.000 2.693 166 I HA 0.738 4.908 4.170 -0.000 0.000 0.303 166 I C -2.623 173.428 176.117 -0.109 0.000 1.025 166 I CA -2.216 59.021 61.300 -0.105 0.000 1.086 166 I CB 2.077 40.045 38.000 -0.053 0.000 1.268 166 I HN 0.226 nan 8.210 nan 0.000 0.440 167 P HA 0.139 nan 4.420 nan 0.000 0.293 167 P C -0.144 177.072 177.300 -0.141 0.000 1.304 167 P CA -0.182 62.770 63.100 -0.246 0.000 0.767 167 P CB 0.630 32.078 31.700 -0.420 0.000 1.247 168 W N 0.347 121.645 121.300 -0.005 0.000 3.107 168 W HA 0.041 4.701 4.660 -0.000 0.000 0.293 168 W C 0.937 177.399 176.519 -0.095 0.000 1.239 168 W CA 0.259 57.588 57.345 -0.028 0.000 1.653 168 W CB -1.533 27.919 29.460 -0.014 0.000 1.068 168 W HN 0.208 nan 8.180 nan 0.000 0.615 169 N N 2.141 120.600 118.700 -0.402 0.000 2.223 169 N HA -0.193 4.547 4.740 -0.000 0.000 0.185 169 N C -0.130 174.946 175.510 -0.724 0.000 1.016 169 N CA 0.978 53.736 53.050 -0.488 0.000 0.863 169 N CB -1.168 36.885 38.487 -0.723 0.000 0.983 169 N HN 0.131 nan 8.380 nan 0.000 0.429 170 F N -0.698 119.123 119.950 -0.214 0.000 2.794 170 F HA 0.419 4.946 4.527 -0.000 0.000 0.353 170 F C -1.850 173.833 175.800 -0.195 0.000 1.371 170 F CA -2.036 55.823 58.000 -0.235 0.000 1.173 170 F CB 2.140 40.913 39.000 -0.378 0.000 1.693 170 F HN -0.192 nan 8.300 nan 0.000 0.606 171 P HA -0.228 nan 4.420 nan 0.000 0.211 171 P C 1.923 179.225 177.300 0.003 0.000 1.181 171 P CA 1.786 64.897 63.100 0.020 0.000 0.929 171 P CB 0.387 32.111 31.700 0.039 0.000 0.789 172 L N -2.037 119.191 121.223 0.008 0.000 2.017 172 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 172 L C 2.495 179.346 176.870 -0.033 0.000 1.073 172 L CA 1.018 55.861 54.840 0.006 0.000 0.745 172 L CB -1.050 41.022 42.059 0.023 0.000 0.894 172 L HN -0.018 nan 8.230 nan 0.000 0.432 173 L N -0.707 120.464 121.223 -0.085 0.000 2.042 173 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 173 L C 2.502 179.122 176.870 -0.416 0.000 1.076 173 L CA 1.847 56.540 54.840 -0.246 0.000 0.749 173 L CB -0.417 41.403 42.059 -0.399 0.000 0.893 173 L HN 0.184 nan 8.230 nan 0.000 0.432 174 M N -1.023 118.361 119.600 -0.359 0.000 2.213 174 M HA -0.223 4.257 4.480 -0.000 0.000 0.263 174 M C 2.242 178.499 176.300 -0.072 0.000 1.062 174 M CA 1.578 56.703 55.300 -0.292 0.000 1.105 174 M CB -1.189 31.291 32.600 -0.200 0.000 1.385 174 M HN 0.527 nan 8.290 nan 0.000 0.417 175 Q N -0.066 119.709 119.800 -0.042 0.000 2.079 175 Q HA -0.108 4.232 4.340 -0.000 0.000 0.200 175 Q C 1.996 178.019 176.000 0.038 0.000 0.974 175 Q CA 1.783 57.587 55.803 0.001 0.000 0.840 175 Q CB 0.021 28.757 28.738 -0.003 0.000 0.898 175 Q HN 0.460 nan 8.270 nan 0.000 0.430 176 A N 0.061 122.923 122.820 0.069 0.000 1.898 176 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 176 A C 1.513 179.265 177.584 0.281 0.000 1.181 176 A CA 1.144 53.274 52.037 0.155 0.000 0.620 176 A CB -1.097 18.014 19.000 0.185 0.000 0.819 176 A HN 0.624 nan 8.150 nan 0.000 0.442 177 W N 0.424 121.733 121.300 0.016 0.000 2.392 177 W HA -0.046 4.614 4.660 -0.000 0.000 0.279 177 W C 2.067 178.572 176.519 -0.023 0.000 1.225 177 W CA 1.250 58.616 57.345 0.035 0.000 1.233 177 W CB -0.165 29.310 29.460 0.024 0.000 1.122 177 W HN 0.224 nan 8.180 nan 0.000 0.561 178 K N -0.331 120.177 120.400 0.180 0.000 2.078 178 K HA 0.097 4.416 4.320 -0.000 0.000 0.203 178 K C 2.081 178.609 176.600 -0.120 0.000 1.043 178 K CA 0.710 57.027 56.287 0.050 0.000 0.960 178 K CB -1.055 31.488 32.500 0.071 0.000 0.761 178 K HN 0.179 nan 8.250 nan 0.000 0.448 179 L N 0.530 121.704 121.223 -0.082 0.000 2.046 179 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 179 L C 2.471 179.244 176.870 -0.162 0.000 1.077 179 L CA 1.409 56.166 54.840 -0.137 0.000 0.747 179 L CB -1.103 40.886 42.059 -0.117 0.000 0.896 179 L HN 0.281 nan 8.230 nan 0.000 0.432 180 G N 1.300 110.037 108.800 -0.105 0.000 2.628 180 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 180 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 180 G C -0.466 174.181 174.900 -0.421 0.000 1.240 180 G CA 1.176 46.224 45.100 -0.087 0.000 0.792 180 G HN 0.317 nan 8.290 nan 0.000 0.593 181 P HA -0.034 nan 4.420 nan 0.000 0.217 181 P C 2.061 178.919 177.300 -0.738 0.000 1.150 181 P CA 2.068 64.553 63.100 -1.025 0.000 0.832 181 P CB -0.183 30.905 31.700 -1.021 0.000 0.787 182 A N 0.595 122.865 122.820 -0.918 0.000 1.858 182 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 182 A C 2.494 179.990 177.584 -0.146 0.000 1.190 182 A CA 1.587 53.187 52.037 -0.730 0.000 0.617 182 A CB -1.619 17.027 19.000 -0.590 0.000 0.827 182 A HN 0.118 nan 8.150 nan 0.000 0.443 183 L N -0.912 120.295 121.223 -0.027 0.000 2.093 183 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 183 L C 3.077 180.125 176.870 0.296 0.000 1.085 183 L CA 0.931 55.954 54.840 0.305 0.000 0.755 183 L CB -0.649 41.586 42.059 0.292 0.000 0.904 183 L HN 0.441 nan 8.230 nan 0.000 0.435 184 A N 0.335 123.231 122.820 0.126 0.000 1.940 184 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 184 A C 2.236 179.867 177.584 0.078 0.000 1.176 184 A CA 2.216 54.331 52.037 0.130 0.000 0.631 184 A CB -0.863 18.233 19.000 0.161 0.000 0.814 184 A HN 0.522 nan 8.150 nan 0.000 0.446 185 T N -4.246 110.329 114.554 0.035 0.000 3.144 185 T HA 0.418 4.767 4.350 -0.000 0.000 0.249 185 T C 1.231 175.975 174.700 0.073 0.000 1.089 185 T CA 0.939 63.070 62.100 0.053 0.000 0.989 185 T CB 0.009 68.902 68.868 0.042 0.000 0.992 185 T HN 1.696 nan 8.240 nan 0.000 0.540 186 G N 1.620 110.458 108.800 0.063 0.000 2.137 186 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.237 186 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.237 186 G C -0.034 175.095 174.900 0.382 0.000 1.002 186 G CA -0.233 44.837 45.100 -0.051 0.000 0.702 186 G HN 0.589 nan 8.290 nan 0.000 0.515 187 N N -0.665 118.315 118.700 0.467 0.000 2.413 187 N HA 0.597 5.337 4.740 -0.000 0.000 0.266 187 N C 0.476 176.303 175.510 0.528 0.000 1.238 187 N CA 0.470 53.784 53.050 0.440 0.000 0.972 187 N CB 1.740 40.367 38.487 0.233 0.000 1.210 187 N HN 0.711 nan 8.380 nan 0.000 0.547 188 V N -2.050 118.012 119.914 0.246 0.000 2.715 188 V HA 0.701 4.821 4.120 -0.000 0.000 0.310 188 V C -0.147 175.953 176.094 0.010 0.000 1.054 188 V CA -0.762 61.604 62.300 0.111 0.000 0.928 188 V CB 1.605 33.500 31.823 0.121 0.000 1.007 188 V HN 0.240 nan 8.190 nan 0.000 0.437 189 V N 3.236 123.127 119.914 -0.037 0.000 2.680 189 V HA 0.611 4.731 4.120 -0.000 0.000 0.309 189 V C -0.440 175.629 176.094 -0.041 0.000 1.052 189 V CA -0.559 61.720 62.300 -0.035 0.000 0.908 189 V CB 2.150 33.941 31.823 -0.052 0.000 1.001 189 V HN 0.782 nan 8.190 nan 0.000 0.431 190 V N 5.253 125.151 119.914 -0.027 0.000 2.340 190 V HA 0.403 4.523 4.120 -0.000 0.000 0.277 190 V C -0.195 175.901 176.094 0.003 0.000 1.017 190 V CA -0.175 62.110 62.300 -0.024 0.000 0.820 190 V CB 1.285 33.077 31.823 -0.052 0.000 1.028 190 V HN 0.890 nan 8.190 nan 0.000 0.436 191 M N 4.804 124.410 119.600 0.011 0.000 2.264 191 M HA 0.548 5.027 4.480 -0.000 0.000 0.352 191 M C -0.460 175.867 176.300 0.045 0.000 1.173 191 M CA -0.387 54.929 55.300 0.026 0.000 1.075 191 M CB 1.043 33.649 32.600 0.010 0.000 1.621 191 M HN 0.311 nan 8.290 nan 0.000 0.457 192 K N 5.517 125.951 120.400 0.057 0.000 2.449 192 K HA 0.365 4.685 4.320 -0.000 0.000 0.257 192 K C -1.252 175.392 176.600 0.074 0.000 0.989 192 K CA -0.387 55.942 56.287 0.070 0.000 0.916 192 K CB 0.770 33.317 32.500 0.078 0.000 1.136 192 K HN 0.680 nan 8.250 nan 0.000 0.439 193 V N 0.812 120.776 119.914 0.083 0.000 3.036 193 V HA 0.655 4.775 4.120 -0.000 0.000 0.308 193 V C 0.524 176.685 176.094 0.112 0.000 1.070 193 V CA -1.079 61.276 62.300 0.091 0.000 1.056 193 V CB 1.030 32.916 31.823 0.105 0.000 1.084 193 V HN 0.685 nan 8.190 nan 0.000 0.471 194 A N 2.103 125.002 122.820 0.131 0.000 2.477 194 A HA 0.272 4.592 4.320 -0.000 0.000 0.246 194 A C 1.256 178.953 177.584 0.190 0.000 1.078 194 A CA 0.336 52.481 52.037 0.180 0.000 0.770 194 A CB -0.137 19.024 19.000 0.270 0.000 1.011 194 A HN 1.138 nan 8.150 nan 0.000 0.494 195 E N 1.697 121.986 120.200 0.148 0.000 2.153 195 E HA -0.285 4.065 4.350 -0.000 0.000 0.194 195 E C 1.159 177.927 176.600 0.279 0.000 0.988 195 E CA 1.653 58.129 56.400 0.128 0.000 0.811 195 E CB -0.231 29.427 29.700 -0.070 0.000 0.746 195 E HN 0.822 nan 8.360 nan 0.000 0.466 196 Q N 0.788 120.694 119.800 0.177 0.000 2.230 196 Q HA -0.018 4.322 4.340 -0.000 0.000 0.202 196 Q C 0.686 176.748 176.000 0.103 0.000 0.963 196 Q CA 1.701 57.551 55.803 0.079 0.000 0.866 196 Q CB 0.470 29.125 28.738 -0.138 0.000 0.931 196 Q HN 0.445 nan 8.270 nan 0.000 0.452 197 T N -3.399 111.255 114.554 0.166 0.000 3.418 197 T HA 0.310 4.659 4.350 -0.000 0.000 0.315 197 T C -2.483 172.302 174.700 0.142 0.000 1.447 197 T CA -1.402 60.779 62.100 0.135 0.000 1.641 197 T CB 1.250 70.203 68.868 0.141 0.000 0.904 197 T HN -0.050 nan 8.240 nan 0.000 0.640 198 P HA 0.228 nan 4.420 nan 0.000 0.238 198 P C 1.633 179.008 177.300 0.125 0.000 1.183 198 P CA -0.149 63.045 63.100 0.157 0.000 0.813 198 P CB 0.417 32.248 31.700 0.217 0.000 0.944 199 L N 0.720 121.997 121.223 0.091 0.000 1.971 199 L HA -0.179 4.161 4.340 -0.000 0.000 0.215 199 L C 2.838 179.786 176.870 0.130 0.000 1.072 199 L CA 2.889 57.781 54.840 0.087 0.000 0.758 199 L CB -2.244 39.839 42.059 0.040 0.000 0.889 199 L HN 0.099 nan 8.230 nan 0.000 0.433 200 T N -2.031 112.582 114.554 0.097 0.000 2.759 200 T HA -0.180 4.170 4.350 -0.000 0.000 0.269 200 T C 1.925 176.722 174.700 0.161 0.000 1.042 200 T CA 1.109 63.279 62.100 0.118 0.000 1.140 200 T CB -0.508 68.395 68.868 0.058 0.000 0.864 200 T HN 0.355 nan 8.240 nan 0.000 0.455 201 A N 1.542 124.435 122.820 0.121 0.000 1.930 201 A HA 0.206 4.526 4.320 -0.000 0.000 0.217 201 A C 2.458 180.106 177.584 0.106 0.000 1.175 201 A CA 1.187 53.279 52.037 0.092 0.000 0.627 201 A CB -0.826 18.217 19.000 0.072 0.000 0.815 201 A HN 0.550 nan 8.150 nan 0.000 0.443 202 L N -2.287 119.047 121.223 0.185 0.000 2.093 202 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 202 L C 2.565 179.643 176.870 0.345 0.000 1.085 202 L CA 1.558 56.581 54.840 0.305 0.000 0.755 202 L CB -0.573 41.692 42.059 0.344 0.000 0.904 202 L HN 0.586 nan 8.230 nan 0.000 0.435 203 Y N 0.187 120.596 120.300 0.183 0.000 2.242 203 Y HA -0.183 4.367 4.550 -0.000 0.000 0.291 203 Y C 2.374 178.349 175.900 0.126 0.000 1.137 203 Y CA 1.258 59.474 58.100 0.193 0.000 1.181 203 Y CB -0.144 38.479 38.460 0.272 0.000 0.989 203 Y HN -0.176 nan 8.280 nan 0.000 0.527 204 V N 0.433 120.415 119.914 0.113 0.000 2.490 204 V HA -0.337 3.783 4.120 -0.000 0.000 0.250 204 V C 2.600 178.569 176.094 -0.209 0.000 1.061 204 V CA 1.649 63.935 62.300 -0.024 0.000 1.064 204 V CB -1.454 30.382 31.823 0.023 0.000 0.670 204 V HN 0.578 nan 8.190 nan 0.000 0.461 205 A N 0.104 122.741 122.820 -0.305 0.000 1.972 205 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 205 A C 2.056 179.203 177.584 -0.729 0.000 1.169 205 A CA 2.117 53.682 52.037 -0.787 0.000 0.635 205 A CB -0.699 17.536 19.000 -1.275 0.000 0.810 205 A HN 0.575 nan 8.150 nan 0.000 0.446 206 N N -0.074 118.454 118.700 -0.287 0.000 2.188 206 N HA -0.030 4.710 4.740 -0.000 0.000 0.184 206 N C 1.508 176.923 175.510 -0.158 0.000 1.018 206 N CA 1.161 54.165 53.050 -0.076 0.000 0.858 206 N CB -0.314 38.104 38.487 -0.114 0.000 0.989 206 N HN 0.497 nan 8.380 nan 0.000 0.426 207 L N -0.175 120.898 121.223 -0.250 0.000 2.156 207 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 207 L C 1.906 178.752 176.870 -0.039 0.000 1.095 207 L CA 0.591 55.351 54.840 -0.133 0.000 0.770 207 L CB -0.285 41.711 42.059 -0.104 0.000 0.914 207 L HN 0.194 nan 8.230 nan 0.000 0.439 208 I N 0.156 120.660 120.570 -0.111 0.000 2.315 208 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 208 I C 2.720 178.912 176.117 0.124 0.000 1.117 208 I CA 1.290 62.548 61.300 -0.071 0.000 1.404 208 I CB -0.229 37.570 38.000 -0.334 0.000 1.071 208 I HN 0.264 nan 8.210 nan 0.000 0.419 209 K N 1.299 121.757 120.400 0.098 0.000 2.025 209 K HA -0.243 4.077 4.320 -0.000 0.000 0.207 209 K C 2.099 178.774 176.600 0.126 0.000 1.049 209 K CA 1.634 58.025 56.287 0.174 0.000 0.933 209 K CB -0.091 32.548 32.500 0.233 0.000 0.714 209 K HN 0.247 nan 8.250 nan 0.000 0.438 210 E N 0.034 120.283 120.200 0.083 0.000 2.110 210 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 210 E C 1.666 178.311 176.600 0.075 0.000 0.988 210 E CA 1.038 57.474 56.400 0.060 0.000 0.804 210 E CB -0.129 29.583 29.700 0.021 0.000 0.745 210 E HN 0.449 nan 8.360 nan 0.000 0.458 211 A N -0.014 122.877 122.820 0.118 0.000 2.067 211 A HA 0.044 4.364 4.320 -0.000 0.000 0.219 211 A C 1.918 179.527 177.584 0.042 0.000 1.158 211 A CA 1.501 53.608 52.037 0.117 0.000 0.661 211 A CB -0.469 18.678 19.000 0.246 0.000 0.801 211 A HN 0.562 nan 8.150 nan 0.000 0.452 212 G N -3.058 105.791 108.800 0.081 0.000 2.192 212 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.193 212 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.193 212 G C -0.001 174.896 174.900 -0.006 0.000 0.999 212 G CA -0.226 44.886 45.100 0.019 0.000 0.659 212 G HN 0.271 nan 8.290 nan 0.000 0.503 213 F N 1.958 121.894 119.950 -0.022 0.000 2.572 213 F HA 0.392 4.919 4.527 -0.000 0.000 0.370 213 F C -1.128 174.616 175.800 -0.094 0.000 1.103 213 F CA -1.132 56.808 58.000 -0.099 0.000 1.286 213 F CB 0.408 39.296 39.000 -0.187 0.000 1.105 213 F HN -0.087 nan 8.300 nan 0.000 0.583 214 P HA 0.044 nan 4.420 nan 0.000 0.267 214 P C -2.549 174.738 177.300 -0.022 0.000 1.200 214 P CA -0.820 62.300 63.100 0.034 0.000 0.772 214 P CB 0.072 31.820 31.700 0.080 0.000 0.855 215 P HA 0.082 nan 4.420 nan 0.000 0.267 215 P C 0.939 178.189 177.300 -0.084 0.000 1.205 215 P CA 1.195 64.252 63.100 -0.071 0.000 0.765 215 P CB 0.148 31.810 31.700 -0.063 0.000 0.828 216 G N 1.483 110.210 108.800 -0.121 0.000 2.217 216 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.246 216 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.246 216 G C 0.998 175.827 174.900 -0.118 0.000 0.990 216 G CA 0.205 45.243 45.100 -0.103 0.000 0.627 216 G HN 0.395 nan 8.290 nan 0.000 0.522 217 V N -0.160 119.632 119.914 -0.203 0.000 2.427 217 V HA 0.112 4.232 4.120 -0.000 0.000 0.248 217 V C 1.380 177.319 176.094 -0.258 0.000 1.051 217 V CA 1.983 64.061 62.300 -0.370 0.000 1.048 217 V CB 0.201 31.555 31.823 -0.782 0.000 0.666 217 V HN 0.388 nan 8.190 nan 0.000 0.456 218 V N 1.633 121.436 119.914 -0.184 0.000 2.525 218 V HA 0.463 4.583 4.120 -0.000 0.000 0.299 218 V C -0.890 175.226 176.094 0.037 0.000 1.034 218 V CA -0.768 61.457 62.300 -0.124 0.000 0.863 218 V CB 1.802 33.483 31.823 -0.236 0.000 0.999 218 V HN 0.442 nan 8.190 nan 0.000 0.423 219 N N 5.621 124.335 118.700 0.024 0.000 2.296 219 N HA 0.629 5.369 4.740 -0.000 0.000 0.294 219 N C -1.213 174.338 175.510 0.069 0.000 1.033 219 N CA -0.420 52.678 53.050 0.080 0.000 0.839 219 N CB 3.052 41.526 38.487 -0.023 0.000 1.395 219 N HN 0.477 nan 8.380 nan 0.000 0.479 220 I N 1.524 122.170 120.570 0.125 0.000 2.406 220 I HA 0.327 4.497 4.170 -0.000 0.000 0.290 220 I C -0.348 175.836 176.117 0.112 0.000 0.999 220 I CA -0.975 60.376 61.300 0.084 0.000 1.124 220 I CB 2.008 40.038 38.000 0.051 0.000 1.289 220 I HN 0.060 nan 8.210 nan 0.000 0.441 221 V N 8.118 128.086 119.914 0.090 0.000 2.284 221 V HA 0.306 4.425 4.120 -0.000 0.000 0.274 221 V C -2.102 174.057 176.094 0.108 0.000 1.023 221 V CA -1.540 60.818 62.300 0.096 0.000 0.808 221 V CB 1.168 33.026 31.823 0.059 0.000 1.035 221 V HN 0.574 nan 8.190 nan 0.000 0.445 222 P HA 0.597 nan 4.420 nan 0.000 0.278 222 P C 0.153 177.527 177.300 0.124 0.000 1.238 222 P CA 0.451 63.666 63.100 0.193 0.000 0.794 222 P CB 2.194 34.066 31.700 0.287 0.000 0.955 223 G N 0.922 109.674 108.800 -0.080 0.000 2.345 223 G HA2 0.263 4.223 3.960 -0.000 0.000 0.285 223 G HA3 0.263 4.223 3.960 -0.000 0.000 0.285 223 G C -1.497 173.060 174.900 -0.572 0.000 1.297 223 G CA -0.896 43.900 45.100 -0.505 0.000 0.875 223 G HN 0.291 nan 8.290 nan 0.000 0.506 224 F N 0.570 120.370 119.950 -0.250 0.000 2.370 224 F HA 0.500 5.026 4.527 -0.000 0.000 0.319 224 F C 1.884 177.647 175.800 -0.061 0.000 1.129 224 F CA 0.162 58.056 58.000 -0.176 0.000 1.109 224 F CB 1.401 40.306 39.000 -0.158 0.000 1.262 224 F HN 0.641 nan 8.300 nan 0.000 0.534 225 G N 0.533 109.452 108.800 0.197 0.000 2.404 225 G HA2 -0.101 3.858 3.960 -0.000 0.000 0.214 225 G HA3 -0.101 3.858 3.960 -0.000 0.000 0.214 225 G C -1.007 173.952 174.900 0.098 0.000 1.189 225 G CA 0.463 45.643 45.100 0.133 0.000 0.789 225 G HN 0.450 nan 8.290 nan 0.000 0.533 226 P HA -0.025 nan 4.420 nan 0.000 0.223 226 P C 1.790 179.125 177.300 0.058 0.000 1.144 226 P CA 1.959 65.086 63.100 0.045 0.000 0.783 226 P CB 0.045 31.754 31.700 0.016 0.000 0.771 227 T N -3.706 110.905 114.554 0.095 0.000 3.395 227 T HA 0.275 4.625 4.350 -0.000 0.000 0.230 227 T C 1.951 176.693 174.700 0.071 0.000 0.958 227 T CA 0.577 62.729 62.100 0.088 0.000 1.377 227 T CB -1.152 67.793 68.868 0.128 0.000 1.124 227 T HN -0.106 nan 8.240 nan 0.000 0.425 228 A N 1.854 124.714 122.820 0.067 0.000 1.858 228 A HA 0.237 4.557 4.320 -0.000 0.000 0.216 228 A C 2.660 180.283 177.584 0.064 0.000 1.190 228 A CA 2.011 54.081 52.037 0.054 0.000 0.617 228 A CB -1.780 17.239 19.000 0.032 0.000 0.827 228 A HN 0.686 nan 8.150 nan 0.000 0.443 229 G N -0.492 108.353 108.800 0.075 0.000 2.446 229 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.217 229 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.217 229 G C 1.757 176.696 174.900 0.065 0.000 1.168 229 G CA 1.657 46.809 45.100 0.086 0.000 0.771 229 G HN 0.870 nan 8.290 nan 0.000 0.551 230 A N 0.993 123.843 122.820 0.049 0.000 1.972 230 A HA 0.306 4.626 4.320 -0.000 0.000 0.219 230 A C 2.790 180.396 177.584 0.036 0.000 1.169 230 A CA 2.111 54.164 52.037 0.027 0.000 0.635 230 A CB -0.659 18.351 19.000 0.017 0.000 0.810 230 A HN 0.797 nan 8.150 nan 0.000 0.446 231 A N 0.076 122.928 122.820 0.053 0.000 1.902 231 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 231 A C 2.110 179.760 177.584 0.110 0.000 1.181 231 A CA 1.548 53.627 52.037 0.071 0.000 0.623 231 A CB -0.551 18.495 19.000 0.078 0.000 0.818 231 A HN 0.505 nan 8.150 nan 0.000 0.443 232 I N -0.419 120.205 120.570 0.090 0.000 2.202 232 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 232 I C 2.944 179.109 176.117 0.079 0.000 1.091 232 I CA 1.033 62.384 61.300 0.084 0.000 1.368 232 I CB -0.362 37.672 38.000 0.056 0.000 1.058 232 I HN 0.342 nan 8.210 nan 0.000 0.410 233 A N -0.228 122.624 122.820 0.053 0.000 1.972 233 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 233 A C 2.305 179.904 177.584 0.025 0.000 1.169 233 A CA 1.954 54.007 52.037 0.026 0.000 0.635 233 A CB -0.417 18.577 19.000 -0.009 0.000 0.810 233 A HN 0.400 nan 8.150 nan 0.000 0.446 234 S N -1.156 114.566 115.700 0.035 0.000 2.540 234 S HA 0.091 4.561 4.470 -0.000 0.000 0.218 234 S C 0.562 175.180 174.600 0.031 0.000 0.977 234 S CA -0.565 57.645 58.200 0.017 0.000 0.918 234 S CB -0.214 62.983 63.200 -0.005 0.000 0.806 234 S HN 0.681 nan 8.310 nan 0.000 0.496 235 H N 2.783 121.847 119.070 -0.010 0.000 2.928 235 H HA 0.075 4.631 4.556 -0.000 0.000 0.338 235 H C 0.842 176.163 175.328 -0.012 0.000 1.047 235 H CA 0.614 56.657 56.048 -0.009 0.000 1.435 235 H CB 0.652 30.410 29.762 -0.007 0.000 1.428 235 H HN 0.118 nan 8.280 nan 0.000 0.590 236 E N 3.012 123.180 120.200 -0.054 0.000 2.347 236 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 236 E C 0.666 177.371 176.600 0.174 0.000 1.008 236 E CA 0.735 57.158 56.400 0.038 0.000 0.852 236 E CB 0.234 29.898 29.700 -0.060 0.000 0.783 236 E HN 0.599 nan 8.360 nan 0.000 0.505 237 D N -0.449 120.231 120.400 0.468 0.000 2.440 237 D HA 0.043 4.683 4.640 -0.000 0.000 0.216 237 D C -0.665 175.659 176.300 0.039 0.000 1.150 237 D CA -0.029 54.097 54.000 0.211 0.000 0.832 237 D CB 0.655 41.578 40.800 0.205 0.000 0.992 237 D HN -0.217 nan 8.370 nan 0.000 0.502 238 V N 1.793 121.736 119.914 0.049 0.000 2.383 238 V HA 0.136 4.256 4.120 -0.000 0.000 0.275 238 V C 0.843 176.920 176.094 -0.028 0.000 1.036 238 V CA -0.382 61.889 62.300 -0.049 0.000 0.889 238 V CB 1.669 33.466 31.823 -0.042 0.000 0.985 238 V HN 0.090 nan 8.190 nan 0.000 0.459 239 D N 3.116 123.475 120.400 -0.068 0.000 2.234 239 D HA 0.020 4.660 4.640 -0.000 0.000 0.205 239 D C 0.802 177.062 176.300 -0.067 0.000 0.962 239 D CA 0.959 54.918 54.000 -0.067 0.000 0.855 239 D CB 0.625 41.361 40.800 -0.106 0.000 0.951 239 D HN 0.393 nan 8.370 nan 0.000 0.500 240 K N 0.554 120.911 120.400 -0.071 0.000 2.542 240 K HA 0.356 4.676 4.320 -0.000 0.000 0.259 240 K C -2.063 174.506 176.600 -0.053 0.000 0.932 240 K CA -0.588 55.649 56.287 -0.083 0.000 0.820 240 K CB 3.083 35.500 32.500 -0.139 0.000 1.345 240 K HN -0.145 nan 8.250 nan 0.000 0.432 241 V N 2.169 122.057 119.914 -0.044 0.000 2.588 241 V HA 0.804 4.924 4.120 -0.000 0.000 0.304 241 V C -1.392 174.715 176.094 0.021 0.000 1.042 241 V CA -0.386 61.918 62.300 0.007 0.000 0.877 241 V CB 1.541 33.381 31.823 0.027 0.000 0.996 241 V HN 0.866 nan 8.190 nan 0.000 0.425 242 A N 6.737 129.601 122.820 0.074 0.000 2.304 242 A HA 0.840 5.160 4.320 -0.000 0.000 0.314 242 A C -1.251 176.446 177.584 0.189 0.000 1.187 242 A CA -0.444 51.657 52.037 0.107 0.000 0.810 242 A CB 0.842 19.919 19.000 0.128 0.000 1.183 242 A HN 1.193 nan 8.150 nan 0.000 0.487 243 F N 2.110 122.085 119.950 0.041 0.000 2.551 243 F HA 0.738 5.265 4.527 -0.000 0.000 0.316 243 F C -0.387 175.449 175.800 0.059 0.000 1.089 243 F CA -0.051 57.976 58.000 0.044 0.000 0.915 243 F CB 2.340 41.355 39.000 0.025 0.000 1.186 243 F HN 0.402 nan 8.300 nan 0.000 0.456 244 T N 4.384 118.372 114.554 -0.944 0.000 2.881 244 T HA 0.762 5.112 4.350 -0.000 0.000 0.291 244 T C -0.223 173.803 174.700 -1.123 0.000 0.990 244 T CA -0.247 61.438 62.100 -0.692 0.000 0.976 244 T CB 1.199 69.915 68.868 -0.253 0.000 0.970 244 T HN 1.131 nan 8.240 nan 0.000 0.438 245 G N 1.991 110.345 108.800 -0.744 0.000 2.498 245 G HA2 0.465 4.425 3.960 -0.000 0.000 0.181 245 G HA3 0.465 4.425 3.960 -0.000 0.000 0.181 245 G C -0.581 174.313 174.900 -0.010 0.000 1.169 245 G CA -0.165 44.698 45.100 -0.396 0.000 0.992 245 G HN 0.947 nan 8.290 nan 0.000 0.490 246 S N -0.435 115.352 115.700 0.145 0.000 2.603 246 S HA 0.479 4.949 4.470 -0.000 0.000 0.268 246 S C 1.228 175.958 174.600 0.217 0.000 1.317 246 S CA 0.987 59.252 58.200 0.109 0.000 1.012 246 S CB 1.407 64.647 63.200 0.067 0.000 0.926 246 S HN 0.729 nan 8.310 nan 0.000 0.539 247 T N 1.001 115.660 114.554 0.175 0.000 2.821 247 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 247 T C 1.649 176.394 174.700 0.075 0.000 1.046 247 T CA 1.561 63.757 62.100 0.161 0.000 1.139 247 T CB -0.480 68.503 68.868 0.192 0.000 0.871 247 T HN 0.860 nan 8.240 nan 0.000 0.454 248 E N 0.685 120.923 120.200 0.063 0.000 2.058 248 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 248 E C 1.939 178.523 176.600 -0.027 0.000 0.997 248 E CA 1.136 57.546 56.400 0.017 0.000 0.801 248 E CB -0.061 29.655 29.700 0.026 0.000 0.746 248 E HN 0.294 nan 8.360 nan 0.000 0.450 249 I N 1.066 121.623 120.570 -0.022 0.000 2.439 249 I HA -0.088 4.082 4.170 -0.000 0.000 0.251 249 I C 2.549 178.413 176.117 -0.421 0.000 1.139 249 I CA 1.220 62.426 61.300 -0.157 0.000 1.438 249 I CB -1.689 36.282 38.000 -0.049 0.000 1.085 249 I HN 0.246 nan 8.210 nan 0.000 0.427 250 G N 1.233 109.846 108.800 -0.312 0.000 2.442 250 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 250 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 250 G C 1.881 176.646 174.900 -0.225 0.000 1.141 250 G CA 0.441 45.341 45.100 -0.333 0.000 0.763 250 G HN 0.333 nan 8.290 nan 0.000 0.554 251 R N -0.197 120.221 120.500 -0.137 0.000 2.081 251 R HA -0.026 4.314 4.340 -0.000 0.000 0.235 251 R C 2.638 178.865 176.300 -0.122 0.000 1.131 251 R CA 1.204 57.244 56.100 -0.101 0.000 0.960 251 R CB -0.630 29.630 30.300 -0.068 0.000 0.856 251 R HN 0.301 nan 8.270 nan 0.000 0.436 252 V N 1.517 121.340 119.914 -0.151 0.000 2.343 252 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 252 V C 2.332 178.330 176.094 -0.161 0.000 1.051 252 V CA 1.506 63.722 62.300 -0.140 0.000 1.036 252 V CB -0.467 31.273 31.823 -0.140 0.000 0.654 252 V HN 0.250 nan 8.190 nan 0.000 0.451 253 I N 0.061 120.479 120.570 -0.254 0.000 2.142 253 I HA -0.292 3.878 4.170 -0.000 0.000 0.240 253 I C 2.594 178.631 176.117 -0.133 0.000 1.078 253 I CA 2.132 63.293 61.300 -0.231 0.000 1.343 253 I CB -1.185 36.586 38.000 -0.381 0.000 1.046 253 I HN 0.442 nan 8.210 nan 0.000 0.405 254 Q N 0.713 120.439 119.800 -0.123 0.000 2.124 254 Q HA -0.142 4.197 4.340 -0.000 0.000 0.202 254 Q C 2.248 178.209 176.000 -0.065 0.000 0.977 254 Q CA 1.593 57.349 55.803 -0.078 0.000 0.850 254 Q CB 0.108 28.806 28.738 -0.067 0.000 0.901 254 Q HN 0.315 nan 8.270 nan 0.000 0.429 255 V N 0.683 120.554 119.914 -0.071 0.000 2.427 255 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 255 V C 2.304 178.368 176.094 -0.050 0.000 1.051 255 V CA 1.620 63.886 62.300 -0.056 0.000 1.048 255 V CB -0.946 30.843 31.823 -0.056 0.000 0.666 255 V HN 0.541 nan 8.190 nan 0.000 0.456 256 A N 0.031 122.817 122.820 -0.057 0.000 1.933 256 A HA -0.096 4.223 4.320 -0.000 0.000 0.218 256 A C 2.412 179.975 177.584 -0.034 0.000 1.175 256 A CA 2.009 54.019 52.037 -0.044 0.000 0.628 256 A CB -0.682 18.289 19.000 -0.048 0.000 0.814 256 A HN 0.552 nan 8.150 nan 0.000 0.444 257 A N -0.550 122.247 122.820 -0.038 0.000 1.898 257 A HA 0.158 4.478 4.320 -0.000 0.000 0.216 257 A C 2.381 179.948 177.584 -0.028 0.000 1.181 257 A CA 1.821 53.840 52.037 -0.030 0.000 0.620 257 A CB -1.279 17.700 19.000 -0.035 0.000 0.819 257 A HN 0.712 nan 8.150 nan 0.000 0.442 258 G N -1.181 107.600 108.800 -0.033 0.000 2.421 258 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.217 258 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.217 258 G C 1.654 176.537 174.900 -0.027 0.000 1.143 258 G CA 1.179 46.261 45.100 -0.030 0.000 0.784 258 G HN 0.482 nan 8.290 nan 0.000 0.541 259 S N 0.223 115.906 115.700 -0.028 0.000 2.496 259 S HA 0.022 4.492 4.470 -0.000 0.000 0.224 259 S C 2.377 176.962 174.600 -0.024 0.000 0.996 259 S CA 0.946 59.130 58.200 -0.026 0.000 0.927 259 S CB 0.055 63.238 63.200 -0.028 0.000 0.774 259 S HN 0.622 nan 8.310 nan 0.000 0.524 260 S N 3.337 119.024 115.700 -0.022 0.000 2.790 260 S HA 0.087 4.557 4.470 -0.000 0.000 0.162 260 S C 1.015 175.606 174.600 -0.015 0.000 0.792 260 S CA 0.256 58.445 58.200 -0.019 0.000 1.089 260 S CB -0.579 62.613 63.200 -0.013 0.000 0.666 260 S HN 0.489 nan 8.310 nan 0.000 0.521 261 N N 1.291 119.987 118.700 -0.008 0.000 2.234 261 N HA 0.242 4.982 4.740 -0.000 0.000 0.227 261 N C 0.091 175.595 175.510 -0.010 0.000 1.151 261 N CA -0.107 52.940 53.050 -0.004 0.000 0.865 261 N CB -0.564 37.928 38.487 0.009 0.000 1.066 261 N HN 0.626 nan 8.380 nan 0.000 0.515 262 L N -0.309 120.904 121.223 -0.016 0.000 3.717 262 L HA -0.288 4.052 4.340 -0.000 0.000 0.411 262 L C -0.077 176.778 176.870 -0.024 0.000 1.233 262 L CA 0.602 55.429 54.840 -0.021 0.000 0.917 262 L CB -1.715 40.331 42.059 -0.021 0.000 1.902 262 L HN 0.443 nan 8.230 nan 0.000 0.894 263 K N -0.298 120.089 120.400 -0.022 0.000 2.319 263 K HA 0.445 4.765 4.320 -0.000 0.000 0.265 263 K C 0.383 176.958 176.600 -0.042 0.000 1.000 263 K CA -0.718 55.551 56.287 -0.029 0.000 0.943 263 K CB 0.492 32.980 32.500 -0.021 0.000 0.950 263 K HN -0.015 nan 8.250 nan 0.000 0.485 264 R N 0.949 121.415 120.500 -0.057 0.000 2.590 264 R HA 0.211 4.551 4.340 -0.000 0.000 0.274 264 R C -0.570 175.685 176.300 -0.075 0.000 1.061 264 R CA -0.260 55.796 56.100 -0.073 0.000 1.081 264 R CB 0.752 30.993 30.300 -0.098 0.000 0.984 264 R HN 0.462 nan 8.270 nan 0.000 0.448 265 V N 1.426 121.299 119.914 -0.069 0.000 2.709 265 V HA 0.598 4.718 4.120 -0.000 0.000 0.308 265 V C -0.579 175.486 176.094 -0.049 0.000 1.062 265 V CA -0.819 61.450 62.300 -0.051 0.000 0.901 265 V CB 2.329 34.131 31.823 -0.035 0.000 1.003 265 V HN 0.983 nan 8.190 nan 0.000 0.425 266 T N 2.444 116.983 114.554 -0.026 0.000 2.916 266 T HA 0.850 5.200 4.350 -0.000 0.000 0.298 266 T C -1.082 173.662 174.700 0.073 0.000 1.031 266 T CA -0.665 61.432 62.100 -0.005 0.000 0.993 266 T CB 1.598 70.441 68.868 -0.042 0.000 1.045 266 T HN 0.396 nan 8.240 nan 0.000 0.454 267 L N 1.976 123.252 121.223 0.089 0.000 2.408 267 L HA 0.601 4.940 4.340 -0.000 0.000 0.268 267 L C -0.395 176.560 176.870 0.140 0.000 0.986 267 L CA -0.897 54.047 54.840 0.173 0.000 0.820 267 L CB 2.294 44.455 42.059 0.169 0.000 1.303 267 L HN 0.643 nan 8.230 nan 0.000 0.411 268 E N 4.857 125.151 120.200 0.157 0.000 2.255 268 E HA 0.456 4.806 4.350 -0.000 0.000 0.245 268 E C -0.688 175.984 176.600 0.120 0.000 0.909 268 E CA -0.221 56.257 56.400 0.130 0.000 0.747 268 E CB 2.019 31.825 29.700 0.178 0.000 1.215 268 E HN 0.479 nan 8.360 nan 0.000 0.424 269 L N 0.118 121.427 121.223 0.143 0.000 2.970 269 L HA 0.599 4.939 4.340 -0.000 0.000 0.214 269 L C 1.339 178.276 176.870 0.111 0.000 1.317 269 L CA -0.950 53.985 54.840 0.159 0.000 1.187 269 L CB 0.013 42.200 42.059 0.213 0.000 2.155 269 L HN 0.376 nan 8.230 nan 0.000 0.554 270 G N -1.711 107.150 108.800 0.102 0.000 2.508 270 G HA2 0.563 4.523 3.960 -0.000 0.000 0.278 270 G HA3 0.563 4.523 3.960 -0.000 0.000 0.278 270 G C -0.569 174.126 174.900 -0.341 0.000 1.389 270 G CA 0.135 45.181 45.100 -0.091 0.000 1.050 270 G HN 0.830 nan 8.290 nan 0.000 0.522 271 G N -2.085 106.260 108.800 -0.757 0.000 2.559 271 G HA2 0.485 4.445 3.960 -0.000 0.000 0.291 271 G HA3 0.485 4.445 3.960 -0.000 0.000 0.291 271 G C -1.390 173.113 174.900 -0.662 0.000 1.424 271 G CA -0.526 44.097 45.100 -0.794 0.000 0.786 271 G HN 0.601 nan 8.290 nan 0.000 0.485 272 K N 0.506 120.759 120.400 -0.245 0.000 3.350 272 K HA 0.415 4.734 4.320 -0.000 0.000 0.167 272 K C -0.021 176.638 176.600 0.098 0.000 1.058 272 K CA -0.342 55.935 56.287 -0.017 0.000 0.783 272 K CB 0.163 32.746 32.500 0.137 0.000 0.872 272 K HN 0.457 nan 8.250 nan 0.000 0.561 273 S N 3.596 119.368 115.700 0.120 0.000 2.544 273 S HA 0.109 4.579 4.470 -0.000 0.000 0.290 273 S C -2.301 172.446 174.600 0.244 0.000 1.276 273 S CA -0.476 57.845 58.200 0.202 0.000 1.075 273 S CB 0.198 63.586 63.200 0.313 0.000 0.849 273 S HN 0.355 nan 8.310 nan 0.000 0.494 274 P HA 0.188 nan 4.420 nan 0.000 0.293 274 P C -1.064 176.441 177.300 0.341 0.000 1.300 274 P CA -0.609 62.689 63.100 0.332 0.000 0.792 274 P CB 0.487 32.359 31.700 0.287 0.000 0.925 275 N N 4.096 123.000 118.700 0.339 0.000 2.558 275 N HA 0.281 5.021 4.740 -0.000 0.000 0.242 275 N C -0.521 175.165 175.510 0.295 0.000 0.979 275 N CA -0.623 52.630 53.050 0.338 0.000 0.931 275 N CB 0.320 38.905 38.487 0.163 0.000 1.122 275 N HN 0.323 nan 8.380 nan 0.000 0.508 276 I N 4.662 125.404 120.570 0.287 0.000 2.337 276 I HA 0.210 4.380 4.170 -0.000 0.000 0.291 276 I C -0.057 176.228 176.117 0.280 0.000 1.046 276 I CA -0.562 60.859 61.300 0.202 0.000 1.324 276 I CB 0.839 38.844 38.000 0.009 0.000 1.409 276 I HN 0.378 nan 8.210 nan 0.000 0.494 277 I N 7.171 127.880 120.570 0.233 0.000 2.337 277 I HA 0.297 4.467 4.170 -0.000 0.000 0.285 277 I C 0.217 176.503 176.117 0.282 0.000 1.041 277 I CA -0.537 60.873 61.300 0.184 0.000 1.199 277 I CB 0.704 38.602 38.000 -0.171 0.000 1.370 277 I HN 0.481 nan 8.210 nan 0.000 0.470 278 M N 2.902 122.687 119.600 0.308 0.000 2.228 278 M HA 0.120 4.600 4.480 -0.000 0.000 0.326 278 M C 1.714 178.115 176.300 0.169 0.000 1.122 278 M CA 0.070 55.539 55.300 0.282 0.000 1.161 278 M CB 0.512 33.259 32.600 0.245 0.000 1.437 278 M HN 0.594 nan 8.290 nan 0.000 0.465 279 S N 0.792 116.552 115.700 0.099 0.000 2.419 279 S HA -0.153 4.317 4.470 -0.000 0.000 0.235 279 S C 1.026 175.680 174.600 0.089 0.000 1.019 279 S CA 1.835 60.071 58.200 0.060 0.000 0.982 279 S CB -0.245 62.963 63.200 0.013 0.000 0.789 279 S HN 0.735 nan 8.310 nan 0.000 0.490 280 D N 0.748 121.211 120.400 0.106 0.000 2.328 280 D HA 0.283 4.923 4.640 -0.000 0.000 0.221 280 D C 0.561 176.946 176.300 0.141 0.000 1.072 280 D CA 0.248 54.312 54.000 0.106 0.000 0.850 280 D CB -0.422 40.431 40.800 0.088 0.000 0.922 280 D HN 0.390 nan 8.370 nan 0.000 0.516 281 A N 0.470 123.401 122.820 0.185 0.000 2.406 281 A HA 0.126 4.446 4.320 -0.000 0.000 0.243 281 A C 0.321 178.049 177.584 0.239 0.000 1.082 281 A CA -0.340 51.849 52.037 0.253 0.000 0.786 281 A CB 0.201 19.398 19.000 0.328 0.000 1.029 281 A HN 0.169 nan 8.150 nan 0.000 0.495 282 D N 1.864 122.439 120.400 0.292 0.000 2.344 282 D HA 0.116 4.756 4.640 -0.000 0.000 0.253 282 D C 1.107 177.577 176.300 0.283 0.000 1.255 282 D CA -0.227 53.931 54.000 0.263 0.000 0.894 282 D CB 0.503 41.478 40.800 0.292 0.000 1.067 282 D HN 0.467 nan 8.370 nan 0.000 0.492 283 M N 4.227 123.951 119.600 0.207 0.000 2.163 283 M HA -0.243 4.237 4.480 -0.000 0.000 0.258 283 M C 1.177 177.563 176.300 0.144 0.000 1.071 283 M CA 1.834 57.243 55.300 0.182 0.000 1.093 283 M CB -0.419 32.259 32.600 0.130 0.000 1.285 283 M HN 0.336 nan 8.290 nan 0.000 0.420 284 D N -0.975 119.506 120.400 0.134 0.000 2.106 284 D HA -0.264 4.376 4.640 -0.000 0.000 0.191 284 D C 1.845 178.251 176.300 0.177 0.000 0.997 284 D CA 1.626 55.694 54.000 0.114 0.000 0.834 284 D CB -0.790 40.083 40.800 0.121 0.000 0.956 284 D HN 0.670 nan 8.370 nan 0.000 0.448 285 W N 1.576 122.914 121.300 0.064 0.000 2.354 285 W HA -0.202 4.458 4.660 -0.000 0.000 0.315 285 W C 2.261 178.843 176.519 0.105 0.000 1.206 285 W CA 1.599 59.005 57.345 0.103 0.000 1.290 285 W CB -0.130 29.425 29.460 0.159 0.000 1.152 285 W HN -0.010 nan 8.180 nan 0.000 0.489 286 A N 0.274 123.162 122.820 0.113 0.000 1.940 286 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 286 A C 2.025 179.484 177.584 -0.209 0.000 1.176 286 A CA 2.140 54.048 52.037 -0.215 0.000 0.631 286 A CB -1.175 17.848 19.000 0.039 0.000 0.814 286 A HN 0.186 nan 8.150 nan 0.000 0.446 287 V N -0.206 119.618 119.914 -0.149 0.000 2.295 287 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 287 V C 2.659 178.605 176.094 -0.246 0.000 1.049 287 V CA 2.474 64.553 62.300 -0.370 0.000 1.024 287 V CB -0.570 31.012 31.823 -0.403 0.000 0.648 287 V HN 0.689 nan 8.190 nan 0.000 0.447 288 E N -0.191 119.886 120.200 -0.205 0.000 2.077 288 E HA -0.200 4.149 4.350 -0.000 0.000 0.193 288 E C 2.283 178.776 176.600 -0.179 0.000 0.989 288 E CA 1.337 57.634 56.400 -0.171 0.000 0.800 288 E CB -0.260 29.345 29.700 -0.158 0.000 0.746 288 E HN 0.493 nan 8.360 nan 0.000 0.452 289 Q N -0.356 119.203 119.800 -0.402 0.000 2.119 289 Q HA -0.034 4.306 4.340 -0.000 0.000 0.201 289 Q C 2.106 178.010 176.000 -0.160 0.000 0.972 289 Q CA 1.354 56.956 55.803 -0.334 0.000 0.847 289 Q CB -0.396 28.073 28.738 -0.447 0.000 0.903 289 Q HN 0.372 nan 8.270 nan 0.000 0.433 290 A N 0.105 122.795 122.820 -0.217 0.000 1.930 290 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 290 A C 1.911 179.477 177.584 -0.031 0.000 1.175 290 A CA 1.851 53.811 52.037 -0.129 0.000 0.627 290 A CB -0.728 18.317 19.000 0.075 0.000 0.815 290 A HN 0.477 nan 8.150 nan 0.000 0.443 291 H N -1.743 117.314 119.070 -0.021 0.000 2.293 291 H HA -0.131 4.425 4.556 -0.000 0.000 0.300 291 H C 1.729 177.191 175.328 0.223 0.000 1.082 291 H CA 2.179 58.317 56.048 0.151 0.000 1.308 291 H CB -0.394 29.422 29.762 0.090 0.000 1.375 291 H HN 0.444 nan 8.280 nan 0.000 0.495 292 F N 0.837 120.840 119.950 0.088 0.000 2.134 292 F HA -0.158 4.369 4.527 -0.000 0.000 0.299 292 F C 2.542 178.329 175.800 -0.022 0.000 1.097 292 F CA 1.485 59.522 58.000 0.061 0.000 1.264 292 F CB -0.732 38.268 39.000 -0.001 0.000 1.001 292 F HN 0.305 nan 8.300 nan 0.000 0.479 293 A N 0.463 123.247 122.820 -0.061 0.000 1.948 293 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 293 A C 2.214 179.570 177.584 -0.380 0.000 1.177 293 A CA 1.991 53.761 52.037 -0.445 0.000 0.636 293 A CB -0.976 17.393 19.000 -1.051 0.000 0.815 293 A HN 0.542 nan 8.150 nan 0.000 0.449 294 L N -2.390 118.619 121.223 -0.356 0.000 2.269 294 L HA 0.217 4.557 4.340 -0.000 0.000 0.200 294 L C 2.002 178.566 176.870 -0.509 0.000 1.069 294 L CA 1.440 56.015 54.840 -0.442 0.000 0.804 294 L CB -0.789 40.928 42.059 -0.571 0.000 0.987 294 L HN 0.411 nan 8.230 nan 0.000 0.468 295 F N -0.433 119.324 119.950 -0.322 0.000 2.558 295 F HA -0.049 4.477 4.527 -0.000 0.000 0.298 295 F C 1.171 176.816 175.800 -0.259 0.000 1.119 295 F CA -0.130 57.681 58.000 -0.315 0.000 1.451 295 F CB -0.319 38.395 39.000 -0.477 0.000 1.091 295 F HN -0.070 nan 8.300 nan 0.000 0.563 296 F N 2.179 121.918 119.950 -0.351 0.000 2.629 296 F HA -0.090 4.437 4.527 -0.000 0.000 0.377 296 F C 1.205 176.849 175.800 -0.259 0.000 1.101 296 F CA -0.065 57.669 58.000 -0.443 0.000 1.301 296 F CB 0.119 38.594 39.000 -0.874 0.000 1.062 296 F HN 0.107 nan 8.300 nan 0.000 0.583 297 N N 3.592 121.615 118.700 -1.128 0.000 2.714 297 N HA -0.305 4.435 4.740 -0.000 0.000 0.253 297 N C -0.028 175.168 175.510 -0.522 0.000 1.024 297 N CA 1.380 53.857 53.050 -0.955 0.000 0.726 297 N CB -0.943 36.782 38.487 -1.270 0.000 0.908 297 N HN 0.777 nan 8.380 nan 0.000 0.542 298 Q N -2.017 117.598 119.800 -0.308 0.000 2.468 298 Q HA -0.176 4.164 4.340 -0.000 0.000 0.256 298 Q C 1.196 177.097 176.000 -0.165 0.000 0.984 298 Q CA 2.247 57.954 55.803 -0.160 0.000 1.110 298 Q CB -1.820 26.825 28.738 -0.154 0.000 1.527 298 Q HN 1.248 nan 8.270 nan 0.000 0.535 299 G N -0.966 107.692 108.800 -0.236 0.000 2.168 299 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.263 299 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.263 299 G C 0.130 174.750 174.900 -0.467 0.000 0.977 299 G CA 0.449 45.375 45.100 -0.290 0.000 0.659 299 G HN 0.462 nan 8.290 nan 0.000 0.533 300 Q N -0.131 119.314 119.800 -0.591 0.000 3.122 300 Q HA 0.469 4.809 4.340 -0.000 0.000 0.360 300 Q C 0.104 175.459 176.000 -1.075 0.000 1.300 300 Q CA -0.053 55.088 55.803 -1.102 0.000 0.982 300 Q CB 0.621 29.048 28.738 -0.520 0.000 1.534 300 Q HN 0.401 nan 8.270 nan 0.000 0.474 301 C N -0.084 118.755 119.300 -0.769 0.000 2.396 301 C HA 0.308 4.768 4.460 -0.000 0.000 0.321 301 C C 2.073 177.107 174.990 0.073 0.000 1.233 301 C CA -0.774 58.170 59.018 -0.123 0.000 1.440 301 C CB 0.036 27.878 27.740 0.169 0.000 2.110 301 C HN 0.961 nan 8.230 nan 0.000 0.473 302 C N 2.022 121.521 119.300 0.333 0.000 2.403 302 C HA -0.104 4.356 4.460 -0.000 0.000 0.277 302 C C 2.099 177.302 174.990 0.355 0.000 1.248 302 C CA 1.578 60.849 59.018 0.422 0.000 1.762 302 C CB -2.477 25.488 27.740 0.374 0.000 2.014 302 C HN 1.007 nan 8.230 nan 0.000 0.486 303 C N 1.300 120.874 119.300 0.458 0.000 2.589 303 C HA 0.730 5.190 4.460 -0.000 0.000 0.307 303 C C 1.335 176.647 174.990 0.535 0.000 1.328 303 C CA -0.875 58.457 59.018 0.523 0.000 1.742 303 C CB -2.479 25.739 27.740 0.797 0.000 2.037 303 C HN 0.749 nan 8.230 nan 0.000 0.592 304 A N 1.121 124.145 122.820 0.340 0.000 2.565 304 A HA 0.443 4.763 4.320 -0.000 0.000 0.237 304 A C 1.175 178.874 177.584 0.192 0.000 1.053 304 A CA 0.817 52.983 52.037 0.214 0.000 0.755 304 A CB -0.112 18.893 19.000 0.007 0.000 0.980 304 A HN 1.167 nan 8.150 nan 0.000 0.506 305 G N 1.793 110.602 108.800 0.016 0.000 3.102 305 G HA2 0.312 4.272 3.960 -0.000 0.000 0.264 305 G HA3 0.312 4.272 3.960 -0.000 0.000 0.264 305 G C 0.925 175.771 174.900 -0.090 0.000 0.788 305 G CA 0.380 45.440 45.100 -0.067 0.000 2.029 305 G HN 1.186 nan 8.290 nan 0.000 0.608 306 S N 0.459 116.142 115.700 -0.028 0.000 2.660 306 S HA 0.141 4.611 4.470 -0.000 0.000 0.223 306 S C 0.996 175.560 174.600 -0.060 0.000 0.963 306 S CA -0.155 58.001 58.200 -0.073 0.000 0.932 306 S CB 0.326 63.487 63.200 -0.065 0.000 0.775 306 S HN 0.417 nan 8.310 nan 0.000 0.531 307 R N 1.666 122.153 120.500 -0.022 0.000 2.607 307 R HA 0.236 4.576 4.340 -0.000 0.000 0.278 307 R C -1.239 175.009 176.300 -0.087 0.000 1.637 307 R CA -0.087 55.959 56.100 -0.089 0.000 1.325 307 R CB 1.200 31.525 30.300 0.041 0.000 1.211 307 R HN 0.164 nan 8.270 nan 0.000 0.565 308 T N 3.508 117.979 114.554 -0.140 0.000 2.782 308 T HA 0.246 4.595 4.350 -0.000 0.000 0.298 308 T C -0.093 174.531 174.700 -0.127 0.000 0.944 308 T CA 0.071 62.133 62.100 -0.064 0.000 1.001 308 T CB -0.178 68.683 68.868 -0.012 0.000 0.932 308 T HN 0.140 nan 8.240 nan 0.000 0.524 309 F N 2.647 122.609 119.950 0.020 0.000 2.424 309 F HA 0.439 4.966 4.527 -0.000 0.000 0.356 309 F C 0.346 176.248 175.800 0.170 0.000 1.110 309 F CA -0.722 57.335 58.000 0.095 0.000 1.161 309 F CB 0.882 39.845 39.000 -0.062 0.000 1.115 309 F HN 0.186 nan 8.300 nan 0.000 0.507 310 V N 3.910 124.065 119.914 0.402 0.000 2.487 310 V HA 0.252 4.372 4.120 -0.000 0.000 0.298 310 V C -0.147 176.015 176.094 0.112 0.000 1.028 310 V CA -1.105 61.294 62.300 0.165 0.000 0.860 310 V CB 1.545 33.254 31.823 -0.191 0.000 0.991 310 V HN 0.563 nan 8.190 nan 0.000 0.427 311 Q N 3.135 122.805 119.800 -0.216 0.000 2.300 311 Q HA 0.023 4.363 4.340 -0.000 0.000 0.280 311 Q C 1.459 177.288 176.000 -0.284 0.000 1.033 311 Q CA 0.367 55.704 55.803 -0.777 0.000 0.903 311 Q CB 1.143 29.530 28.738 -0.585 0.000 1.195 311 Q HN 1.033 nan 8.270 nan 0.000 0.386 312 E N 3.076 123.101 120.200 -0.292 0.000 2.136 312 E HA -0.301 4.049 4.350 -0.000 0.000 0.202 312 E C 0.352 176.942 176.600 -0.017 0.000 1.019 312 E CA 1.965 58.298 56.400 -0.112 0.000 0.819 312 E CB -0.038 29.576 29.700 -0.143 0.000 0.739 312 E HN 0.570 nan 8.360 nan 0.000 0.458 313 D N 0.902 121.272 120.400 -0.050 0.000 2.221 313 D HA -0.132 4.508 4.640 -0.000 0.000 0.204 313 D C 2.010 178.334 176.300 0.041 0.000 0.982 313 D CA 1.665 55.663 54.000 -0.003 0.000 0.857 313 D CB -0.116 40.675 40.800 -0.016 0.000 0.934 313 D HN 0.677 nan 8.370 nan 0.000 0.475 314 I N -3.824 116.779 120.570 0.055 0.000 4.154 314 I HA 0.175 4.345 4.170 -0.000 0.000 0.334 314 I C 1.788 177.994 176.117 0.148 0.000 1.371 314 I CA -0.552 60.806 61.300 0.097 0.000 1.110 314 I CB -0.104 37.954 38.000 0.097 0.000 1.085 314 I HN -0.234 nan 8.210 nan 0.000 0.398 315 Y N 2.906 123.219 120.300 0.021 0.000 2.053 315 Y HA -0.329 4.221 4.550 -0.000 0.000 0.277 315 Y C 2.069 178.039 175.900 0.116 0.000 1.159 315 Y CA 2.409 60.539 58.100 0.051 0.000 1.125 315 Y CB -0.164 38.301 38.460 0.007 0.000 0.969 315 Y HN 0.191 nan 8.280 nan 0.000 0.492 316 D N 0.071 120.597 120.400 0.210 0.000 2.106 316 D HA -0.235 4.404 4.640 -0.000 0.000 0.191 316 D C 2.144 178.456 176.300 0.021 0.000 0.997 316 D CA 1.893 55.957 54.000 0.105 0.000 0.834 316 D CB -0.507 40.377 40.800 0.140 0.000 0.956 316 D HN 0.621 nan 8.370 nan 0.000 0.448 317 E N -0.792 119.442 120.200 0.057 0.000 2.077 317 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 317 E C 2.097 178.710 176.600 0.021 0.000 0.989 317 E CA 0.481 56.903 56.400 0.037 0.000 0.800 317 E CB -0.226 29.507 29.700 0.056 0.000 0.746 317 E HN 0.238 nan 8.360 nan 0.000 0.452 318 F N 0.749 120.644 119.950 -0.091 0.000 2.095 318 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 318 F C 2.103 177.810 175.800 -0.155 0.000 1.104 318 F CA 1.486 59.420 58.000 -0.110 0.000 1.232 318 F CB -0.275 38.659 39.000 -0.110 0.000 0.987 318 F HN -0.116 nan 8.300 nan 0.000 0.475 319 V N 0.550 120.444 119.914 -0.033 0.000 2.343 319 V HA -0.308 3.812 4.120 -0.000 0.000 0.247 319 V C 2.197 178.212 176.094 -0.132 0.000 1.051 319 V CA 2.333 64.552 62.300 -0.136 0.000 1.036 319 V CB -0.754 30.884 31.823 -0.308 0.000 0.654 319 V HN 0.381 nan 8.190 nan 0.000 0.451 320 E N -0.042 120.094 120.200 -0.107 0.000 2.038 320 E HA -0.241 4.109 4.350 -0.000 0.000 0.195 320 E C 2.467 178.997 176.600 -0.118 0.000 1.000 320 E CA 1.384 57.733 56.400 -0.085 0.000 0.803 320 E CB -0.237 29.431 29.700 -0.052 0.000 0.750 320 E HN 0.531 nan 8.360 nan 0.000 0.448 321 R N 0.453 120.855 120.500 -0.163 0.000 2.096 321 R HA -0.055 4.285 4.340 -0.000 0.000 0.235 321 R C 2.556 178.711 176.300 -0.242 0.000 1.127 321 R CA 1.246 57.227 56.100 -0.199 0.000 0.968 321 R CB -0.109 30.051 30.300 -0.233 0.000 0.861 321 R HN 0.014 nan 8.270 nan 0.000 0.440 322 S N 0.208 115.722 115.700 -0.309 0.000 2.368 322 S HA -0.082 4.388 4.470 -0.000 0.000 0.224 322 S C 2.086 176.629 174.600 -0.095 0.000 1.029 322 S CA 1.078 59.134 58.200 -0.239 0.000 0.988 322 S CB -0.068 62.972 63.200 -0.267 0.000 0.838 322 S HN 0.064 nan 8.310 nan 0.000 0.462 323 V N 2.149 122.010 119.914 -0.089 0.000 2.343 323 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 323 V C 2.660 178.710 176.094 -0.074 0.000 1.051 323 V CA 1.720 63.987 62.300 -0.056 0.000 1.036 323 V CB -1.238 30.553 31.823 -0.053 0.000 0.654 323 V HN 0.534 nan 8.190 nan 0.000 0.451 324 A N 0.393 123.156 122.820 -0.096 0.000 1.877 324 A HA -0.270 4.050 4.320 -0.000 0.000 0.216 324 A C 2.314 179.818 177.584 -0.134 0.000 1.186 324 A CA 2.248 54.224 52.037 -0.102 0.000 0.620 324 A CB -0.554 18.386 19.000 -0.101 0.000 0.822 324 A HN 0.450 nan 8.150 nan 0.000 0.443 325 R N 0.213 120.608 120.500 -0.175 0.000 2.096 325 R HA 0.016 4.356 4.340 -0.000 0.000 0.235 325 R C 2.069 178.193 176.300 -0.294 0.000 1.127 325 R CA 1.866 57.795 56.100 -0.285 0.000 0.968 325 R CB -0.932 29.139 30.300 -0.383 0.000 0.861 325 R HN 0.396 nan 8.270 nan 0.000 0.440 326 A N 0.488 123.228 122.820 -0.134 0.000 1.930 326 A HA -0.095 4.224 4.320 -0.000 0.000 0.217 326 A C 1.968 179.467 177.584 -0.142 0.000 1.175 326 A CA 1.462 53.432 52.037 -0.112 0.000 0.627 326 A CB -0.340 18.656 19.000 -0.008 0.000 0.815 326 A HN 0.351 nan 8.150 nan 0.000 0.443 327 K N 0.347 120.682 120.400 -0.107 0.000 2.211 327 K HA -0.078 4.242 4.320 -0.000 0.000 0.203 327 K C 1.969 178.512 176.600 -0.094 0.000 1.050 327 K CA 1.435 57.669 56.287 -0.089 0.000 0.945 327 K CB -0.087 32.370 32.500 -0.072 0.000 0.732 327 K HN 0.651 nan 8.250 nan 0.000 0.451 328 S N 0.443 116.073 115.700 -0.117 0.000 2.548 328 S HA 0.017 4.487 4.470 -0.000 0.000 0.215 328 S C 0.787 175.322 174.600 -0.109 0.000 0.976 328 S CA -0.316 57.821 58.200 -0.106 0.000 0.908 328 S CB -0.047 63.087 63.200 -0.110 0.000 0.781 328 S HN 0.138 nan 8.310 nan 0.000 0.519 329 R N 2.241 122.662 120.500 -0.133 0.000 2.399 329 R HA 0.213 4.553 4.340 -0.000 0.000 0.324 329 R C -0.893 175.366 176.300 -0.068 0.000 1.030 329 R CA -0.145 55.890 56.100 -0.108 0.000 0.984 329 R CB 0.094 30.304 30.300 -0.149 0.000 0.961 329 R HN 0.146 nan 8.270 nan 0.000 0.433 330 V N 6.249 126.141 119.914 -0.037 0.000 2.485 330 V HA 0.053 4.173 4.120 -0.000 0.000 0.287 330 V C 0.176 176.273 176.094 0.004 0.000 1.022 330 V CA -0.028 62.261 62.300 -0.019 0.000 1.067 330 V CB 1.096 32.914 31.823 -0.008 0.000 0.967 330 V HN 0.459 nan 8.190 nan 0.000 0.479 331 V N 4.870 124.788 119.914 0.007 0.000 2.495 331 V HA 1.005 5.125 4.120 -0.000 0.000 0.298 331 V C 0.587 176.688 176.094 0.012 0.000 1.031 331 V CA 0.514 62.849 62.300 0.059 0.000 0.871 331 V CB 1.070 32.944 31.823 0.085 0.000 0.988 331 V HN 1.153 nan 8.190 nan 0.000 0.432 332 G N 3.514 112.360 108.800 0.076 0.000 2.356 332 G HA2 0.112 4.072 3.960 -0.000 0.000 0.281 332 G HA3 0.112 4.072 3.960 -0.000 0.000 0.281 332 G C -0.922 174.054 174.900 0.127 0.000 1.246 332 G CA -0.773 44.289 45.100 -0.063 0.000 0.889 332 G HN 0.701 nan 8.290 nan 0.000 0.486 333 N N 2.075 120.805 118.700 0.050 0.000 2.414 333 N HA 0.205 4.944 4.740 -0.000 0.000 0.268 333 N C -0.808 174.780 175.510 0.129 0.000 1.286 333 N CA -0.789 52.346 53.050 0.142 0.000 0.896 333 N CB 1.238 39.788 38.487 0.105 0.000 1.093 333 N HN 0.147 nan 8.380 nan 0.000 0.480 334 P HA -0.157 nan 4.420 nan 0.000 0.226 334 P C 0.339 177.542 177.300 -0.162 0.000 1.146 334 P CA 1.197 64.254 63.100 -0.072 0.000 0.773 334 P CB -0.002 31.581 31.700 -0.194 0.000 0.772 335 F N -0.269 119.719 119.950 0.063 0.000 2.743 335 F HA 0.106 4.633 4.527 -0.000 0.000 0.297 335 F C 1.266 177.080 175.800 0.024 0.000 1.131 335 F CA 0.013 58.028 58.000 0.025 0.000 1.426 335 F CB -0.109 38.862 39.000 -0.047 0.000 1.116 335 F HN -0.142 nan 8.300 nan 0.000 0.583 336 D N 0.133 120.631 120.400 0.164 0.000 2.277 336 D HA 0.004 4.644 4.640 -0.000 0.000 0.249 336 D C 1.298 177.654 176.300 0.093 0.000 1.134 336 D CA 0.237 54.300 54.000 0.105 0.000 0.863 336 D CB 1.490 42.331 40.800 0.068 0.000 1.143 336 D HN 0.126 nan 8.370 nan 0.000 0.458 337 S N 3.616 119.370 115.700 0.090 0.000 2.440 337 S HA -0.189 4.281 4.470 -0.000 0.000 0.238 337 S C 1.363 176.000 174.600 0.062 0.000 1.010 337 S CA 0.925 59.176 58.200 0.086 0.000 0.972 337 S CB -0.066 63.180 63.200 0.076 0.000 0.774 337 S HN 0.513 nan 8.310 nan 0.000 0.501 338 K N 0.848 121.277 120.400 0.047 0.000 2.365 338 K HA 0.106 4.426 4.320 -0.000 0.000 0.197 338 K C 0.118 176.738 176.600 0.034 0.000 1.042 338 K CA 0.452 56.759 56.287 0.034 0.000 0.987 338 K CB -0.117 32.395 32.500 0.019 0.000 0.779 338 K HN 0.288 nan 8.250 nan 0.000 0.484 339 T N 2.074 116.654 114.554 0.043 0.000 2.817 339 T HA 0.020 4.370 4.350 -0.000 0.000 0.295 339 T C 0.771 175.501 174.700 0.049 0.000 0.958 339 T CA 0.319 62.446 62.100 0.045 0.000 1.157 339 T CB 0.932 69.834 68.868 0.056 0.000 0.898 339 T HN 0.190 nan 8.240 nan 0.000 0.536 340 E N 1.837 122.065 120.200 0.047 0.000 2.251 340 E HA 0.043 4.393 4.350 -0.000 0.000 0.194 340 E C 0.815 177.444 176.600 0.049 0.000 0.964 340 E CA 0.213 56.650 56.400 0.061 0.000 0.868 340 E CB 0.569 30.306 29.700 0.063 0.000 0.828 340 E HN 0.564 nan 8.360 nan 0.000 0.481 341 Q N 0.329 120.156 119.800 0.044 0.000 2.304 341 Q HA 0.436 4.776 4.340 -0.000 0.000 0.270 341 Q C -0.640 175.409 176.000 0.081 0.000 1.035 341 Q CA -0.596 55.229 55.803 0.037 0.000 0.781 341 Q CB 1.848 30.610 28.738 0.040 0.000 1.261 341 Q HN 0.122 nan 8.270 nan 0.000 0.444 342 G N 3.034 111.841 108.800 0.011 0.000 2.606 342 G HA2 0.618 4.577 3.960 -0.000 0.000 0.262 342 G HA3 0.618 4.577 3.960 -0.000 0.000 0.262 342 G C -2.550 172.228 174.900 -0.203 0.000 1.394 342 G CA -1.031 44.067 45.100 -0.004 0.000 1.044 342 G HN 0.561 nan 8.290 nan 0.000 0.553 343 P HA 0.217 nan 4.420 nan 0.000 0.279 343 P C -0.871 176.231 177.300 -0.329 0.000 1.276 343 P CA -0.391 62.223 63.100 -0.811 0.000 0.801 343 P CB 0.975 31.954 31.700 -1.202 0.000 1.127 344 Q N -0.181 119.508 119.800 -0.185 0.000 2.312 344 Q HA 0.084 4.424 4.340 -0.000 0.000 0.236 344 Q C 1.361 177.213 176.000 -0.247 0.000 0.965 344 Q CA -0.475 55.253 55.803 -0.124 0.000 0.894 344 Q CB 0.512 29.262 28.738 0.020 0.000 1.225 344 Q HN 0.188 nan 8.270 nan 0.000 0.478 345 V N 0.782 120.454 119.914 -0.403 0.000 2.324 345 V HA -0.237 3.883 4.120 -0.000 0.000 0.250 345 V C 0.459 176.214 176.094 -0.564 0.000 1.060 345 V CA 2.791 64.747 62.300 -0.573 0.000 1.042 345 V CB -0.067 31.036 31.823 -1.200 0.000 0.650 345 V HN 0.991 nan 8.190 nan 0.000 0.450 346 D N -3.437 116.548 120.400 -0.691 0.000 2.759 346 D HA 0.119 4.758 4.640 -0.000 0.000 0.321 346 D C 0.691 176.315 176.300 -1.126 0.000 1.267 346 D CA -0.017 53.452 54.000 -0.886 0.000 0.933 346 D CB 0.796 41.258 40.800 -0.563 0.000 1.431 346 D HN 0.016 nan 8.370 nan 0.000 0.504 347 E N -0.586 118.961 120.200 -1.088 0.000 2.072 347 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 347 E C 1.265 177.781 176.600 -0.140 0.000 0.985 347 E CA 1.755 57.838 56.400 -0.529 0.000 0.801 347 E CB -0.093 29.520 29.700 -0.144 0.000 0.750 347 E HN 0.506 nan 8.360 nan 0.000 0.452 348 T N 1.106 115.560 114.554 -0.167 0.000 2.684 348 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 348 T C 1.789 176.469 174.700 -0.035 0.000 1.036 348 T CA 1.296 63.351 62.100 -0.075 0.000 1.148 348 T CB -0.162 68.657 68.868 -0.081 0.000 0.863 348 T HN 0.155 nan 8.240 nan 0.000 0.436 349 Q N -0.077 119.674 119.800 -0.081 0.000 2.119 349 Q HA 0.031 4.371 4.340 -0.000 0.000 0.201 349 Q C 2.057 178.105 176.000 0.081 0.000 0.972 349 Q CA 0.967 56.776 55.803 0.011 0.000 0.847 349 Q CB -0.664 28.035 28.738 -0.065 0.000 0.903 349 Q HN 0.545 nan 8.270 nan 0.000 0.433 350 F N 1.971 121.847 119.950 -0.124 0.000 2.069 350 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 350 F C 2.005 177.822 175.800 0.029 0.000 1.113 350 F CA 1.681 59.666 58.000 -0.025 0.000 1.214 350 F CB -0.043 38.959 39.000 0.003 0.000 0.978 350 F HN -0.030 nan 8.300 nan 0.000 0.474 351 K N 0.006 120.415 120.400 0.015 0.000 2.057 351 K HA -0.200 4.120 4.320 -0.000 0.000 0.206 351 K C 2.209 178.762 176.600 -0.078 0.000 1.050 351 K CA 1.513 57.750 56.287 -0.083 0.000 0.935 351 K CB -0.274 32.232 32.500 0.009 0.000 0.715 351 K HN 0.211 nan 8.250 nan 0.000 0.439 352 K N 1.240 121.632 120.400 -0.013 0.000 2.063 352 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 352 K C 1.987 178.642 176.600 0.091 0.000 1.048 352 K CA 1.237 57.531 56.287 0.012 0.000 0.928 352 K CB -0.042 32.518 32.500 0.100 0.000 0.713 352 K HN 0.051 nan 8.250 nan 0.000 0.442 353 I N 0.971 121.616 120.570 0.124 0.000 2.179 353 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 353 I C 2.103 178.274 176.117 0.090 0.000 1.088 353 I CA 1.090 62.495 61.300 0.175 0.000 1.357 353 I CB -0.206 37.861 38.000 0.112 0.000 1.051 353 I HN 0.157 nan 8.210 nan 0.000 0.409 354 L N 0.412 121.593 121.223 -0.070 0.000 2.083 354 L HA -0.146 4.193 4.340 -0.000 0.000 0.209 354 L C 2.679 179.528 176.870 -0.034 0.000 1.083 354 L CA 1.510 56.294 54.840 -0.093 0.000 0.752 354 L CB -1.184 40.733 42.059 -0.237 0.000 0.899 354 L HN 0.335 nan 8.230 nan 0.000 0.433 355 G N -1.042 107.715 108.800 -0.073 0.000 2.418 355 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 355 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 355 G C 1.394 176.224 174.900 -0.116 0.000 1.158 355 G CA 0.601 45.627 45.100 -0.125 0.000 0.771 355 G HN 0.308 nan 8.290 nan 0.000 0.545 356 Y N 0.469 120.768 120.300 -0.002 0.000 2.242 356 Y HA 0.027 4.577 4.550 -0.000 0.000 0.291 356 Y C 2.770 178.674 175.900 0.007 0.000 1.137 356 Y CA 0.631 58.729 58.100 -0.004 0.000 1.181 356 Y CB -0.004 38.462 38.460 0.009 0.000 0.989 356 Y HN 0.122 nan 8.280 nan 0.000 0.527 357 I N -0.048 120.656 120.570 0.223 0.000 2.315 357 I HA -0.323 3.847 4.170 -0.000 0.000 0.248 357 I C 2.442 178.698 176.117 0.231 0.000 1.117 357 I CA 1.284 62.761 61.300 0.294 0.000 1.404 357 I CB -0.467 37.683 38.000 0.250 0.000 1.071 357 I HN 0.377 nan 8.210 nan 0.000 0.419 358 N N 0.909 119.676 118.700 0.112 0.000 2.120 358 N HA -0.163 4.577 4.740 -0.000 0.000 0.188 358 N C 1.714 177.252 175.510 0.046 0.000 1.024 358 N CA 2.026 55.118 53.050 0.070 0.000 0.852 358 N CB 0.030 38.526 38.487 0.016 0.000 1.003 358 N HN 0.246 nan 8.380 nan 0.000 0.424 359 T N -0.264 114.297 114.554 0.012 0.000 2.833 359 T HA -0.038 4.312 4.350 -0.000 0.000 0.269 359 T C 1.777 176.446 174.700 -0.052 0.000 1.054 359 T CA 1.225 63.316 62.100 -0.015 0.000 1.135 359 T CB -0.646 68.212 68.868 -0.017 0.000 0.869 359 T HN 0.440 nan 8.240 nan 0.000 0.466 360 G N 1.842 110.567 108.800 -0.125 0.000 2.418 360 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 360 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 360 G C 1.586 176.378 174.900 -0.180 0.000 1.158 360 G CA 0.642 45.473 45.100 -0.449 0.000 0.771 360 G HN 0.451 nan 8.290 nan 0.000 0.545 361 K N -0.067 120.398 120.400 0.108 0.000 2.057 361 K HA -0.036 4.284 4.320 -0.000 0.000 0.206 361 K C 2.510 179.161 176.600 0.086 0.000 1.050 361 K CA 1.125 57.530 56.287 0.197 0.000 0.935 361 K CB -0.225 32.396 32.500 0.202 0.000 0.715 361 K HN 0.335 nan 8.250 nan 0.000 0.439 362 Q N 1.443 121.270 119.800 0.045 0.000 2.124 362 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 362 Q C 1.094 177.101 176.000 0.012 0.000 0.977 362 Q CA 1.504 57.322 55.803 0.024 0.000 0.850 362 Q CB 0.171 28.916 28.738 0.010 0.000 0.901 362 Q HN 0.328 nan 8.270 nan 0.000 0.429 363 E N -1.618 118.578 120.200 -0.008 0.000 2.494 363 E HA 0.061 4.410 4.350 -0.000 0.000 0.193 363 E C 0.544 177.143 176.600 -0.003 0.000 1.074 363 E CA 0.324 56.716 56.400 -0.014 0.000 0.867 363 E CB 0.387 30.066 29.700 -0.035 0.000 0.924 363 E HN 0.614 nan 8.360 nan 0.000 0.502 364 G N 0.675 109.487 108.800 0.020 0.000 2.176 364 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.232 364 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.232 364 G C 0.366 175.304 174.900 0.064 0.000 0.986 364 G CA -0.103 45.021 45.100 0.040 0.000 0.643 364 G HN 0.439 nan 8.290 nan 0.000 0.522 365 A N 0.284 123.137 122.820 0.055 0.000 2.440 365 A HA 0.571 4.891 4.320 -0.000 0.000 0.251 365 A C 0.661 178.428 177.584 0.305 0.000 1.089 365 A CA 0.600 52.712 52.037 0.125 0.000 0.779 365 A CB 0.375 19.325 19.000 -0.083 0.000 1.022 365 A HN 0.487 nan 8.150 nan 0.000 0.492 366 K N 2.499 123.068 120.400 0.281 0.000 2.310 366 K HA 0.243 4.563 4.320 -0.000 0.000 0.290 366 K C -0.754 175.958 176.600 0.186 0.000 1.077 366 K CA -0.459 55.956 56.287 0.213 0.000 0.922 366 K CB 0.133 32.722 32.500 0.149 0.000 1.057 366 K HN 0.582 nan 8.250 nan 0.000 0.479 367 L N 6.301 127.564 121.223 0.067 0.000 2.433 367 L HA 0.083 4.423 4.340 -0.000 0.000 0.275 367 L C 0.318 177.102 176.870 -0.144 0.000 1.128 367 L CA 0.566 55.259 54.840 -0.246 0.000 0.875 367 L CB 0.534 42.452 42.059 -0.234 0.000 1.171 367 L HN 0.776 nan 8.230 nan 0.000 0.463 368 L N 4.769 125.891 121.223 -0.168 0.000 2.408 368 L HA 0.214 4.554 4.340 -0.000 0.000 0.215 368 L C 0.435 177.253 176.870 -0.088 0.000 1.081 368 L CA 0.302 55.092 54.840 -0.083 0.000 0.840 368 L CB 0.004 42.037 42.059 -0.044 0.000 1.002 368 L HN 0.835 nan 8.230 nan 0.000 0.468 369 C N -3.306 115.918 119.300 -0.127 0.000 3.292 369 C HA 0.743 5.203 4.460 -0.000 0.000 0.338 369 C C 0.686 175.614 174.990 -0.104 0.000 1.323 369 C CA -0.684 58.279 59.018 -0.091 0.000 1.232 369 C CB 0.797 28.502 27.740 -0.058 0.000 1.517 369 C HN 0.630 nan 8.230 nan 0.000 0.470 370 G N 0.823 109.584 108.800 -0.064 0.000 2.566 370 G HA2 0.343 4.303 3.960 -0.000 0.000 0.280 370 G HA3 0.343 4.303 3.960 -0.000 0.000 0.280 370 G C 1.321 176.185 174.900 -0.060 0.000 1.225 370 G CA 2.352 47.427 45.100 -0.041 0.000 0.966 370 G HN 3.337 nan 8.290 nan 0.000 0.560 371 G N -2.186 106.590 108.800 -0.039 0.000 2.179 371 G HA2 0.432 4.392 3.960 -0.000 0.000 0.220 371 G HA3 0.432 4.392 3.960 -0.000 0.000 0.220 371 G C 1.395 176.302 174.900 0.013 0.000 0.990 371 G CA 0.993 46.075 45.100 -0.029 0.000 0.646 371 G HN 2.563 nan 8.290 nan 0.000 0.517 372 G N -0.983 107.829 108.800 0.021 0.000 2.949 372 G HA2 0.685 4.644 3.960 -0.000 0.000 0.285 372 G HA3 0.685 4.644 3.960 -0.000 0.000 0.285 372 G C -0.191 174.748 174.900 0.065 0.000 1.395 372 G CA -0.821 44.297 45.100 0.030 0.000 0.901 372 G HN 0.602 nan 8.290 nan 0.000 0.519 373 I N 0.928 121.553 120.570 0.092 0.000 2.692 373 I HA 0.218 4.388 4.170 -0.000 0.000 0.284 373 I C 1.431 177.646 176.117 0.163 0.000 1.159 373 I CA 0.096 61.515 61.300 0.199 0.000 1.423 373 I CB 1.610 39.767 38.000 0.262 0.000 1.380 373 I HN 0.559 nan 8.210 nan 0.000 0.580 374 A N 4.833 127.779 122.820 0.209 0.000 2.252 374 A HA 0.668 4.988 4.320 -0.000 0.000 0.213 374 A C 0.693 178.296 177.584 0.031 0.000 1.188 374 A CA 0.552 52.660 52.037 0.118 0.000 0.863 374 A CB 0.174 19.261 19.000 0.144 0.000 0.893 374 A HN 0.800 nan 8.150 nan 0.000 0.495 375 A N -1.016 121.841 122.820 0.062 0.000 2.609 375 A HA 0.560 4.880 4.320 -0.000 0.000 0.291 375 A C -0.505 177.076 177.584 -0.005 0.000 1.096 375 A CA -0.212 51.784 52.037 -0.069 0.000 0.684 375 A CB 0.427 19.221 19.000 -0.344 0.000 1.282 375 A HN -0.057 nan 8.150 nan 0.000 0.412 376 D N 0.037 120.405 120.400 -0.053 0.000 2.162 376 D HA 0.016 4.656 4.640 -0.000 0.000 0.203 376 D C 0.709 176.975 176.300 -0.056 0.000 0.967 376 D CA 1.133 55.113 54.000 -0.033 0.000 0.840 376 D CB 0.258 41.033 40.800 -0.042 0.000 0.972 376 D HN 0.476 nan 8.370 nan 0.000 0.482 377 R N -0.053 120.398 120.500 -0.080 0.000 2.637 377 R HA 0.476 4.816 4.340 -0.000 0.000 0.291 377 R C 0.089 176.356 176.300 -0.055 0.000 0.963 377 R CA 0.104 56.142 56.100 -0.104 0.000 0.901 377 R CB 1.562 31.810 30.300 -0.087 0.000 1.160 377 R HN 0.164 nan 8.270 nan 0.000 0.457 378 G N 2.100 110.729 108.800 -0.284 0.000 2.685 378 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.387 378 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.387 378 G C -1.167 173.225 174.900 -0.847 0.000 1.324 378 G CA -0.406 44.426 45.100 -0.448 0.000 0.878 378 G HN 0.617 nan 8.290 nan 0.000 0.527 379 Y N -0.123 119.839 120.300 -0.564 0.000 2.724 379 Y HA 0.550 5.100 4.550 -0.000 0.000 0.370 379 Y C 0.488 176.127 175.900 -0.434 0.000 0.978 379 Y CA -0.743 56.819 58.100 -0.897 0.000 1.443 379 Y CB 0.131 38.173 38.460 -0.696 0.000 1.386 379 Y HN 0.347 nan 8.280 nan 0.000 0.557 380 F N 1.704 121.635 119.950 -0.031 0.000 2.410 380 F HA 0.459 4.986 4.527 -0.000 0.000 0.348 380 F C 0.269 176.249 175.800 0.301 0.000 1.106 380 F CA -0.777 57.298 58.000 0.125 0.000 1.163 380 F CB 0.586 39.606 39.000 0.032 0.000 1.129 380 F HN 0.025 nan 8.300 nan 0.000 0.516 381 I N 2.580 123.387 120.570 0.395 0.000 2.569 381 I HA 0.255 4.424 4.170 -0.000 0.000 0.296 381 I C -0.426 175.811 176.117 0.201 0.000 1.028 381 I CA -1.060 60.415 61.300 0.292 0.000 1.082 381 I CB 2.012 40.145 38.000 0.222 0.000 1.264 381 I HN 0.514 nan 8.210 nan 0.000 0.429 382 Q N 5.450 125.336 119.800 0.144 0.000 2.364 382 Q HA 0.184 4.524 4.340 -0.000 0.000 0.267 382 Q C -2.302 173.758 176.000 0.100 0.000 0.999 382 Q CA -1.474 54.384 55.803 0.092 0.000 0.886 382 Q CB 0.318 29.087 28.738 0.053 0.000 1.243 382 Q HN 0.250 nan 8.270 nan 0.000 0.415 383 P HA -0.018 nan 4.420 nan 0.000 0.264 383 P C -1.187 176.204 177.300 0.152 0.000 1.229 383 P CA 0.415 63.567 63.100 0.086 0.000 0.780 383 P CB 0.491 32.024 31.700 -0.278 0.000 0.808 384 T N 3.117 117.824 114.554 0.256 0.000 2.795 384 T HA 0.439 4.789 4.350 -0.000 0.000 0.282 384 T C -0.105 174.663 174.700 0.113 0.000 0.980 384 T CA -0.413 61.743 62.100 0.093 0.000 1.012 384 T CB 0.910 69.802 68.868 0.040 0.000 0.936 384 T HN -0.053 nan 8.240 nan 0.000 0.457 385 V N 3.877 123.767 119.914 -0.039 0.000 2.483 385 V HA 0.502 4.622 4.120 -0.000 0.000 0.297 385 V C -1.001 175.010 176.094 -0.139 0.000 1.027 385 V CA -0.891 61.412 62.300 0.005 0.000 0.855 385 V CB 1.273 33.134 31.823 0.064 0.000 0.995 385 V HN 0.825 nan 8.190 nan 0.000 0.424 386 F N 2.462 122.437 119.950 0.042 0.000 2.436 386 F HA 0.774 5.301 4.527 -0.000 0.000 0.340 386 F C 0.903 176.733 175.800 0.051 0.000 1.113 386 F CA -0.211 57.813 58.000 0.040 0.000 1.022 386 F CB 2.085 41.101 39.000 0.026 0.000 1.128 386 F HN 0.591 nan 8.300 nan 0.000 0.466 387 G N 0.769 109.725 108.800 0.261 0.000 2.537 387 G HA2 0.387 4.347 3.960 -0.000 0.000 0.323 387 G HA3 0.387 4.347 3.960 -0.000 0.000 0.323 387 G C -0.715 174.330 174.900 0.241 0.000 1.207 387 G CA -0.694 44.547 45.100 0.236 0.000 0.976 387 G HN 0.666 nan 8.290 nan 0.000 0.487 388 D N -1.063 119.503 120.400 0.278 0.000 2.708 388 D HA -0.162 4.477 4.640 -0.000 0.000 0.236 388 D C 0.601 176.953 176.300 0.087 0.000 1.146 388 D CA 0.664 54.752 54.000 0.146 0.000 0.662 388 D CB -1.288 39.578 40.800 0.110 0.000 1.059 388 D HN 0.218 nan 8.370 nan 0.000 0.428 389 V N 0.726 120.687 119.914 0.077 0.000 2.686 389 V HA 0.087 4.207 4.120 -0.000 0.000 0.295 389 V C 0.863 176.950 176.094 -0.012 0.000 1.055 389 V CA -0.041 62.267 62.300 0.013 0.000 1.050 389 V CB 1.722 33.532 31.823 -0.022 0.000 0.984 389 V HN 0.049 nan 8.190 nan 0.000 0.482 390 Q N 1.943 121.736 119.800 -0.012 0.000 2.301 390 Q HA 0.328 4.668 4.340 -0.000 0.000 0.267 390 Q C 0.434 176.438 176.000 0.007 0.000 1.035 390 Q CA -0.753 55.053 55.803 0.005 0.000 0.856 390 Q CB 1.578 30.324 28.738 0.012 0.000 1.337 390 Q HN 0.669 nan 8.270 nan 0.000 0.450 391 D N 1.331 121.757 120.400 0.042 0.000 2.158 391 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 391 D C 1.524 177.849 176.300 0.041 0.000 0.995 391 D CA 1.763 55.801 54.000 0.064 0.000 0.846 391 D CB -0.105 40.756 40.800 0.102 0.000 0.941 391 D HN 0.836 nan 8.370 nan 0.000 0.456 392 G N -0.065 108.753 108.800 0.029 0.000 2.534 392 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.217 392 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.217 392 G C 0.785 175.691 174.900 0.010 0.000 1.128 392 G CA -0.112 45.001 45.100 0.020 0.000 0.784 392 G HN 0.181 nan 8.290 nan 0.000 0.542 393 M N 0.639 120.238 119.600 -0.003 0.000 2.248 393 M HA 0.120 4.600 4.480 -0.000 0.000 0.337 393 M C 1.849 178.142 176.300 -0.012 0.000 1.121 393 M CA -0.059 55.229 55.300 -0.021 0.000 1.155 393 M CB 0.783 33.350 32.600 -0.054 0.000 1.514 393 M HN -0.084 nan 8.290 nan 0.000 0.452 394 T N 2.504 117.057 114.554 -0.003 0.000 2.684 394 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 394 T C 1.505 176.221 174.700 0.027 0.000 1.036 394 T CA 1.784 63.909 62.100 0.041 0.000 1.148 394 T CB -0.430 68.484 68.868 0.076 0.000 0.863 394 T HN 0.775 nan 8.240 nan 0.000 0.436 395 I N -0.522 120.024 120.570 -0.040 0.000 3.241 395 I HA 0.196 4.366 4.170 -0.000 0.000 0.280 395 I C 2.081 178.136 176.117 -0.105 0.000 1.320 395 I CA 0.761 61.994 61.300 -0.111 0.000 1.413 395 I CB -0.340 37.517 38.000 -0.238 0.000 1.060 395 I HN 0.083 nan 8.210 nan 0.000 0.500 396 A N 0.914 123.697 122.820 -0.061 0.000 2.252 396 A HA 0.224 4.544 4.320 -0.000 0.000 0.213 396 A C 2.142 179.737 177.584 0.018 0.000 1.188 396 A CA 0.044 52.058 52.037 -0.038 0.000 0.863 396 A CB 0.034 19.013 19.000 -0.036 0.000 0.893 396 A HN 0.410 nan 8.150 nan 0.000 0.495 397 K N -0.238 120.182 120.400 0.032 0.000 2.380 397 K HA 0.164 4.484 4.320 -0.000 0.000 0.200 397 K C -0.132 176.543 176.600 0.126 0.000 1.201 397 K CA 0.163 56.499 56.287 0.081 0.000 0.916 397 K CB 0.565 33.103 32.500 0.064 0.000 1.187 397 K HN 0.398 nan 8.250 nan 0.000 0.498 398 E N 2.054 122.299 120.200 0.075 0.000 2.301 398 E HA 0.069 4.418 4.350 -0.000 0.000 0.275 398 E C -0.852 175.696 176.600 -0.087 0.000 1.030 398 E CA -0.230 56.215 56.400 0.074 0.000 0.852 398 E CB 1.446 31.224 29.700 0.131 0.000 1.060 398 E HN 0.077 nan 8.360 nan 0.000 0.401 399 E N 3.081 123.260 120.200 -0.035 0.000 2.265 399 E HA 0.009 4.358 4.350 -0.000 0.000 0.272 399 E C 0.345 176.791 176.600 -0.257 0.000 1.067 399 E CA -0.031 56.298 56.400 -0.119 0.000 0.900 399 E CB 0.389 30.029 29.700 -0.100 0.000 1.017 399 E HN 0.524 nan 8.360 nan 0.000 0.431 400 I N 4.341 124.720 120.570 -0.318 0.000 2.400 400 I HA -0.078 4.092 4.170 -0.000 0.000 0.248 400 I C 0.482 176.642 176.117 0.073 0.000 1.109 400 I CA 0.132 61.194 61.300 -0.395 0.000 1.425 400 I CB 0.054 37.847 38.000 -0.344 0.000 1.094 400 I HN 0.690 nan 8.210 nan 0.000 0.425 401 F N 1.501 121.388 119.950 -0.105 0.000 3.080 401 F HA -0.166 4.361 4.527 -0.000 0.000 0.292 401 F C 0.387 176.200 175.800 0.022 0.000 0.891 401 F CA 0.623 58.613 58.000 -0.018 0.000 1.086 401 F CB -1.367 37.667 39.000 0.056 0.000 1.095 401 F HN 0.162 nan 8.300 nan 0.000 0.633 402 G N -0.625 108.180 108.800 0.009 0.000 2.687 402 G HA2 0.632 4.592 3.960 -0.000 0.000 0.291 402 G HA3 0.632 4.592 3.960 -0.000 0.000 0.291 402 G C -2.996 171.867 174.900 -0.062 0.000 1.420 402 G CA -0.687 44.415 45.100 0.003 0.000 0.796 402 G HN -0.143 nan 8.290 nan 0.000 0.485 403 P HA 0.256 nan 4.420 nan 0.000 0.231 403 P C -0.607 176.733 177.300 0.067 0.000 1.756 403 P CA 0.010 63.164 63.100 0.089 0.000 0.990 403 P CB 0.126 32.035 31.700 0.347 0.000 1.973 404 V N 3.116 122.956 119.914 -0.124 0.000 2.419 404 V HA 0.320 4.440 4.120 -0.000 0.000 0.287 404 V C 0.290 176.304 176.094 -0.133 0.000 1.017 404 V CA -0.606 61.689 62.300 -0.009 0.000 0.844 404 V CB 1.961 33.853 31.823 0.115 0.000 1.011 404 V HN 0.315 nan 8.190 nan 0.000 0.429 405 M N 3.780 123.303 119.600 -0.129 0.000 2.233 405 M HA 0.544 5.024 4.480 -0.000 0.000 0.355 405 M C -0.764 175.564 176.300 0.048 0.000 1.191 405 M CA -0.365 54.851 55.300 -0.139 0.000 1.101 405 M CB 1.455 33.970 32.600 -0.141 0.000 1.592 405 M HN 0.641 nan 8.290 nan 0.000 0.461 406 Q N 4.724 124.522 119.800 -0.004 0.000 2.333 406 Q HA 0.578 4.918 4.340 -0.000 0.000 0.268 406 Q C -1.290 174.703 176.000 -0.012 0.000 1.007 406 Q CA 0.006 55.821 55.803 0.020 0.000 0.810 406 Q CB 1.857 30.562 28.738 -0.056 0.000 1.264 406 Q HN 0.656 nan 8.270 nan 0.000 0.452 407 I N 4.092 124.692 120.570 0.050 0.000 2.362 407 I HA 0.412 4.582 4.170 -0.000 0.000 0.289 407 I C -0.983 175.186 176.117 0.086 0.000 0.994 407 I CA -0.939 60.397 61.300 0.059 0.000 1.158 407 I CB 0.898 38.968 38.000 0.117 0.000 1.315 407 I HN 0.331 nan 8.210 nan 0.000 0.451 408 L N 6.316 127.517 121.223 -0.036 0.000 2.333 408 L HA 0.550 4.890 4.340 -0.000 0.000 0.269 408 L C -0.155 176.811 176.870 0.161 0.000 1.010 408 L CA -0.563 54.252 54.840 -0.041 0.000 0.818 408 L CB 1.365 43.180 42.059 -0.406 0.000 1.306 408 L HN 0.454 nan 8.230 nan 0.000 0.430 409 K N 1.796 122.262 120.400 0.110 0.000 2.182 409 K HA 0.702 5.022 4.320 -0.000 0.000 0.262 409 K C -1.392 175.348 176.600 0.234 0.000 0.957 409 K CA -0.454 55.876 56.287 0.071 0.000 0.842 409 K CB 1.239 33.489 32.500 -0.417 0.000 1.099 409 K HN 0.555 nan 8.250 nan 0.000 0.438 410 F N 1.311 121.320 119.950 0.099 0.000 2.650 410 F HA 0.482 5.009 4.527 -0.000 0.000 0.320 410 F C 0.215 176.046 175.800 0.053 0.000 1.091 410 F CA -0.906 57.156 58.000 0.103 0.000 0.962 410 F CB 1.628 40.729 39.000 0.168 0.000 1.363 410 F HN 0.523 nan 8.300 nan 0.000 0.482 411 K N -0.130 120.273 120.400 0.005 0.000 2.309 411 K HA 0.205 4.524 4.320 -0.000 0.000 0.210 411 K C 0.154 176.748 176.600 -0.010 0.000 1.114 411 K CA 0.967 57.184 56.287 -0.118 0.000 0.912 411 K CB 0.316 32.806 32.500 -0.017 0.000 1.198 411 K HN 0.897 nan 8.250 nan 0.000 0.471 412 T N -1.554 113.127 114.554 0.211 0.000 2.943 412 T HA 0.266 4.616 4.350 -0.000 0.000 0.284 412 T C 1.209 176.113 174.700 0.340 0.000 1.015 412 T CA -0.795 61.431 62.100 0.210 0.000 1.042 412 T CB 1.547 70.479 68.868 0.106 0.000 1.055 412 T HN 0.209 nan 8.240 nan 0.000 0.500 413 I N 0.274 120.970 120.570 0.211 0.000 2.394 413 I HA -0.082 4.088 4.170 -0.000 0.000 0.251 413 I C 2.135 178.315 176.117 0.105 0.000 1.136 413 I CA 1.411 62.800 61.300 0.149 0.000 1.425 413 I CB -0.025 37.998 38.000 0.038 0.000 1.079 413 I HN 0.750 nan 8.210 nan 0.000 0.425 414 E N 0.653 120.908 120.200 0.091 0.000 2.072 414 E HA -0.263 4.087 4.350 -0.000 0.000 0.191 414 E C 1.982 178.613 176.600 0.050 0.000 0.985 414 E CA 1.234 57.697 56.400 0.105 0.000 0.801 414 E CB -0.204 29.543 29.700 0.078 0.000 0.750 414 E HN 0.490 nan 8.360 nan 0.000 0.452 415 E N 0.456 120.691 120.200 0.059 0.000 2.031 415 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 415 E C 2.123 178.679 176.600 -0.074 0.000 0.994 415 E CA 1.266 57.690 56.400 0.040 0.000 0.800 415 E CB -0.085 29.691 29.700 0.128 0.000 0.752 415 E HN 0.165 nan 8.360 nan 0.000 0.447 416 V N 0.476 120.275 119.914 -0.192 0.000 2.490 416 V HA -0.207 3.913 4.120 -0.000 0.000 0.250 416 V C 2.363 178.165 176.094 -0.486 0.000 1.061 416 V CA 1.440 63.388 62.300 -0.587 0.000 1.064 416 V CB -0.034 31.061 31.823 -1.214 0.000 0.670 416 V HN 0.201 nan 8.190 nan 0.000 0.461 417 V N 0.610 120.371 119.914 -0.255 0.000 2.261 417 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 417 V C 2.681 178.664 176.094 -0.186 0.000 1.047 417 V CA 2.311 64.493 62.300 -0.197 0.000 1.015 417 V CB -1.408 30.362 31.823 -0.088 0.000 0.642 417 V HN 0.633 nan 8.190 nan 0.000 0.446 418 G N -0.574 108.149 108.800 -0.127 0.000 2.440 418 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 418 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 418 G C 1.751 176.589 174.900 -0.104 0.000 1.154 418 G CA 0.776 45.821 45.100 -0.090 0.000 0.767 418 G HN 0.450 nan 8.290 nan 0.000 0.552 419 R N 0.322 120.728 120.500 -0.157 0.000 2.090 419 R HA 0.149 4.489 4.340 -0.000 0.000 0.228 419 R C 3.031 179.224 176.300 -0.178 0.000 1.110 419 R CA 0.947 56.974 56.100 -0.122 0.000 0.973 419 R CB -0.296 29.950 30.300 -0.091 0.000 0.869 419 R HN 0.340 nan 8.270 nan 0.000 0.440 420 A N 1.611 124.185 122.820 -0.411 0.000 1.902 420 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 420 A C 1.628 179.140 177.584 -0.119 0.000 1.181 420 A CA 1.432 53.273 52.037 -0.326 0.000 0.623 420 A CB -0.331 18.416 19.000 -0.422 0.000 0.818 420 A HN 0.222 nan 8.150 nan 0.000 0.443 421 N N 0.251 118.875 118.700 -0.127 0.000 2.494 421 N HA -0.059 4.681 4.740 -0.000 0.000 0.182 421 N C 0.272 175.761 175.510 -0.034 0.000 1.076 421 N CA 0.361 53.363 53.050 -0.080 0.000 0.908 421 N CB -0.472 37.958 38.487 -0.096 0.000 0.967 421 N HN 0.404 nan 8.380 nan 0.000 0.449 422 N N 0.999 119.687 118.700 -0.021 0.000 2.895 422 N HA 0.053 4.793 4.740 -0.000 0.000 0.277 422 N C -1.318 174.212 175.510 0.032 0.000 1.185 422 N CA 0.117 53.170 53.050 0.005 0.000 1.106 422 N CB -0.192 38.303 38.487 0.013 0.000 1.422 422 N HN -0.098 nan 8.380 nan 0.000 0.521 423 S N -0.148 115.568 115.700 0.026 0.000 2.552 423 S HA 0.225 4.695 4.470 -0.000 0.000 0.272 423 S C 0.809 175.408 174.600 -0.000 0.000 1.150 423 S CA -0.369 57.855 58.200 0.040 0.000 0.849 423 S CB 0.291 63.558 63.200 0.111 0.000 1.113 423 S HN 0.438 nan 8.310 nan 0.000 0.458 424 T N 0.514 115.020 114.554 -0.081 0.000 3.113 424 T HA 0.275 4.625 4.350 -0.000 0.000 0.256 424 T C 0.467 175.077 174.700 -0.151 0.000 1.131 424 T CA 0.457 62.465 62.100 -0.155 0.000 1.074 424 T CB -0.462 68.252 68.868 -0.258 0.000 0.944 424 T HN 0.525 nan 8.240 nan 0.000 0.516 425 Y N 0.270 120.587 120.300 0.028 0.000 2.432 425 Y HA 0.574 5.124 4.550 -0.000 0.000 0.322 425 Y C 1.312 177.226 175.900 0.023 0.000 1.246 425 Y CA -0.748 57.372 58.100 0.033 0.000 1.268 425 Y CB 1.791 40.278 38.460 0.044 0.000 1.276 425 Y HN 0.131 nan 8.280 nan 0.000 0.499 426 G N 1.145 110.077 108.800 0.220 0.000 5.515 426 G HA2 0.036 3.996 3.960 -0.000 0.000 0.198 426 G HA3 0.036 3.996 3.960 -0.000 0.000 0.198 426 G C -0.129 174.780 174.900 0.015 0.000 0.858 426 G CA -0.296 44.848 45.100 0.073 0.000 0.634 426 G HN 0.529 nan 8.290 nan 0.000 0.290 427 L N 0.711 121.944 121.223 0.017 0.000 2.023 427 L HA 0.707 5.047 4.340 -0.000 0.000 0.205 427 L C 1.185 177.952 176.870 -0.172 0.000 1.073 427 L CA 2.500 57.295 54.840 -0.075 0.000 0.745 427 L CB -0.203 41.854 42.059 -0.003 0.000 0.900 427 L HN 0.509 nan 8.230 nan 0.000 0.435 428 A N -2.261 120.503 122.820 -0.092 0.000 2.567 428 A HA 0.908 5.228 4.320 -0.000 0.000 0.289 428 A C -1.427 176.111 177.584 -0.076 0.000 1.177 428 A CA -0.096 51.825 52.037 -0.192 0.000 0.694 428 A CB 0.965 19.873 19.000 -0.153 0.000 1.292 428 A HN 0.613 nan 8.150 nan 0.000 0.425 429 A N -1.418 121.337 122.820 -0.108 0.000 2.583 429 A HA 0.921 5.241 4.320 -0.000 0.000 0.292 429 A C -0.703 176.977 177.584 0.160 0.000 1.045 429 A CA 0.173 52.254 52.037 0.073 0.000 0.672 429 A CB 0.428 19.401 19.000 -0.044 0.000 1.283 429 A HN 2.640 nan 8.150 nan 0.000 0.419 430 A N -0.106 122.928 122.820 0.356 0.000 2.515 430 A HA 0.871 5.191 4.320 -0.000 0.000 0.296 430 A C -1.393 176.399 177.584 0.347 0.000 1.094 430 A CA -0.587 51.716 52.037 0.444 0.000 0.718 430 A CB 1.737 21.271 19.000 0.890 0.000 1.307 430 A HN 1.825 nan 8.150 nan 0.000 0.408 431 V N 0.951 121.013 119.914 0.246 0.000 2.668 431 V HA 0.509 4.629 4.120 -0.000 0.000 0.304 431 V C -1.711 174.445 176.094 0.103 0.000 1.071 431 V CA -0.221 62.205 62.300 0.211 0.000 0.894 431 V CB 1.464 33.343 31.823 0.094 0.000 1.008 431 V HN 0.707 nan 8.190 nan 0.000 0.425 432 F N 2.865 122.921 119.950 0.177 0.000 2.403 432 F HA 0.794 5.321 4.527 -0.000 0.000 0.355 432 F C 0.344 176.247 175.800 0.172 0.000 1.119 432 F CA -0.256 57.861 58.000 0.195 0.000 1.007 432 F CB 2.059 41.184 39.000 0.208 0.000 1.194 432 F HN 0.509 nan 8.300 nan 0.000 0.443 433 T N 1.880 116.574 114.554 0.232 0.000 2.827 433 T HA 0.283 4.633 4.350 -0.000 0.000 0.328 433 T C 0.057 174.835 174.700 0.130 0.000 1.598 433 T CA -0.682 61.528 62.100 0.183 0.000 1.043 433 T CB 1.475 70.433 68.868 0.149 0.000 1.447 433 T HN 0.639 nan 8.240 nan 0.000 0.491 434 K N 0.594 121.061 120.400 0.112 0.000 2.354 434 K HA 0.183 4.503 4.320 -0.000 0.000 0.194 434 K C -0.231 176.404 176.600 0.059 0.000 1.038 434 K CA -0.109 56.226 56.287 0.079 0.000 1.052 434 K CB 0.254 32.799 32.500 0.075 0.000 0.861 434 K HN 0.477 nan 8.250 nan 0.000 0.535 435 D N 1.145 121.583 120.400 0.063 0.000 2.312 435 D HA 0.003 4.643 4.640 -0.000 0.000 0.252 435 D C 0.855 177.182 176.300 0.046 0.000 1.150 435 D CA -0.236 53.794 54.000 0.049 0.000 0.870 435 D CB 1.054 41.882 40.800 0.047 0.000 1.153 435 D HN -0.160 nan 8.370 nan 0.000 0.457 436 L N 4.223 125.467 121.223 0.036 0.000 1.970 436 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 436 L C 1.280 178.175 176.870 0.042 0.000 1.071 436 L CA 1.964 56.825 54.840 0.034 0.000 0.751 436 L CB -0.559 41.516 42.059 0.026 0.000 0.889 436 L HN 0.481 nan 8.230 nan 0.000 0.432 437 D N -0.279 120.144 120.400 0.039 0.000 2.123 437 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 437 D C 2.198 178.542 176.300 0.073 0.000 0.992 437 D CA 1.403 55.432 54.000 0.048 0.000 0.833 437 D CB -0.097 40.717 40.800 0.024 0.000 0.954 437 D HN 0.423 nan 8.370 nan 0.000 0.455 438 K N 0.454 120.888 120.400 0.057 0.000 2.057 438 K HA -0.043 4.277 4.320 -0.000 0.000 0.207 438 K C 2.146 178.821 176.600 0.124 0.000 1.049 438 K CA 1.125 57.460 56.287 0.081 0.000 0.931 438 K CB -0.098 32.443 32.500 0.068 0.000 0.714 438 K HN 0.037 nan 8.250 nan 0.000 0.440 439 A N 2.074 124.946 122.820 0.087 0.000 1.877 439 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 439 A C 1.850 179.471 177.584 0.061 0.000 1.186 439 A CA 1.747 53.824 52.037 0.067 0.000 0.620 439 A CB -0.510 18.515 19.000 0.043 0.000 0.822 439 A HN 0.228 nan 8.150 nan 0.000 0.443 440 N N -1.614 117.126 118.700 0.067 0.000 2.188 440 N HA -0.142 4.598 4.740 -0.000 0.000 0.184 440 N C 1.558 177.110 175.510 0.071 0.000 1.018 440 N CA 1.566 54.647 53.050 0.052 0.000 0.858 440 N CB -0.596 37.922 38.487 0.051 0.000 0.989 440 N HN 0.679 nan 8.380 nan 0.000 0.426 441 Y N 1.481 121.773 120.300 -0.012 0.000 2.114 441 Y HA -0.089 4.461 4.550 -0.000 0.000 0.284 441 Y C 2.171 178.052 175.900 -0.033 0.000 1.143 441 Y CA 1.439 59.528 58.100 -0.017 0.000 1.135 441 Y CB -0.392 38.064 38.460 -0.008 0.000 0.980 441 Y HN -0.042 nan 8.280 nan 0.000 0.499 442 L N -0.306 120.984 121.223 0.112 0.000 2.027 442 L HA -0.210 4.130 4.340 -0.000 0.000 0.206 442 L C 2.795 179.605 176.870 -0.100 0.000 1.074 442 L CA 1.570 56.403 54.840 -0.013 0.000 0.745 442 L CB -0.868 41.228 42.059 0.063 0.000 0.898 442 L HN 0.375 nan 8.230 nan 0.000 0.433 443 S N -0.837 114.824 115.700 -0.065 0.000 2.400 443 S HA -0.316 4.154 4.470 -0.000 0.000 0.232 443 S C 1.904 176.424 174.600 -0.133 0.000 1.025 443 S CA 1.584 59.726 58.200 -0.097 0.000 0.993 443 S CB -0.415 62.744 63.200 -0.068 0.000 0.808 443 S HN 0.521 nan 8.310 nan 0.000 0.478 444 Q N 1.107 120.826 119.800 -0.136 0.000 2.062 444 Q HA 0.111 4.451 4.340 -0.000 0.000 0.196 444 Q C 2.314 178.195 176.000 -0.199 0.000 0.967 444 Q CA 1.044 56.757 55.803 -0.148 0.000 0.832 444 Q CB -0.503 28.155 28.738 -0.134 0.000 0.899 444 Q HN 0.689 nan 8.270 nan 0.000 0.442 445 A N 0.837 123.485 122.820 -0.286 0.000 1.969 445 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 445 A C 0.980 178.420 177.584 -0.241 0.000 1.169 445 A CA 0.345 52.195 52.037 -0.312 0.000 0.635 445 A CB -0.490 18.215 19.000 -0.492 0.000 0.810 445 A HN 0.381 nan 8.150 nan 0.000 0.445 446 L N 0.932 122.015 121.223 -0.233 0.000 2.462 446 L HA 0.045 4.385 4.340 -0.000 0.000 0.272 446 L C 0.077 176.753 176.870 -0.323 0.000 1.166 446 L CA -0.099 54.597 54.840 -0.240 0.000 0.880 446 L CB 0.438 42.369 42.059 -0.213 0.000 1.142 446 L HN 0.401 nan 8.230 nan 0.000 0.473 447 Q N 3.980 123.583 119.800 -0.328 0.000 2.835 447 Q HA 0.539 4.879 4.340 -0.000 0.000 0.235 447 Q C -0.386 175.170 176.000 -0.741 0.000 1.313 447 Q CA -0.268 55.232 55.803 -0.505 0.000 1.053 447 Q CB 0.777 29.393 28.738 -0.202 0.000 1.443 447 Q HN 0.693 nan 8.270 nan 0.000 0.576 448 A N -0.047 122.146 122.820 -1.046 0.000 2.549 448 A HA 0.663 4.983 4.320 -0.000 0.000 0.297 448 A C 0.856 177.996 177.584 -0.739 0.000 1.061 448 A CA -0.414 51.168 52.037 -0.759 0.000 0.690 448 A CB 1.160 19.924 19.000 -0.393 0.000 1.287 448 A HN 0.544 nan 8.150 nan 0.000 0.402 449 G N 0.141 108.772 108.800 -0.281 0.000 2.450 449 G HA2 0.238 4.198 3.960 -0.000 0.000 0.220 449 G HA3 0.238 4.198 3.960 -0.000 0.000 0.220 449 G C 0.531 175.255 174.900 -0.293 0.000 1.130 449 G CA 1.769 46.808 45.100 -0.102 0.000 0.760 449 G HN 0.885 nan 8.290 nan 0.000 0.557 450 T N -0.388 113.896 114.554 -0.451 0.000 2.928 450 T HA 0.499 4.849 4.350 -0.000 0.000 0.296 450 T C -1.139 173.129 174.700 -0.721 0.000 1.000 450 T CA -0.418 61.304 62.100 -0.630 0.000 0.989 450 T CB 2.733 71.080 68.868 -0.868 0.000 1.005 450 T HN -0.108 nan 8.240 nan 0.000 0.442 451 V N 4.040 123.597 119.914 -0.596 0.000 2.326 451 V HA 0.388 4.508 4.120 -0.000 0.000 0.281 451 V C -0.694 175.185 176.094 -0.357 0.000 1.015 451 V CA -0.981 61.069 62.300 -0.415 0.000 0.823 451 V CB 0.992 32.665 31.823 -0.251 0.000 1.009 451 V HN 0.768 nan 8.190 nan 0.000 0.436 452 W N 3.927 125.131 121.300 -0.160 0.000 2.365 452 W HA 0.584 5.244 4.660 -0.000 0.000 0.316 452 W C -0.446 175.985 176.519 -0.147 0.000 1.164 452 W CA -0.661 56.584 57.345 -0.166 0.000 1.204 452 W CB 1.747 31.074 29.460 -0.222 0.000 1.213 452 W HN 0.256 nan 8.180 nan 0.000 0.539 453 V N 4.891 124.842 119.914 0.061 0.000 2.378 453 V HA 0.138 4.258 4.120 -0.000 0.000 0.288 453 V C 0.229 176.206 176.094 -0.195 0.000 1.016 453 V CA -0.969 61.283 62.300 -0.080 0.000 0.840 453 V CB 1.073 32.876 31.823 -0.034 0.000 0.994 453 V HN 0.661 nan 8.190 nan 0.000 0.431 454 N N 2.033 120.383 118.700 -0.582 0.000 2.747 454 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 454 N C -0.311 175.059 175.510 -0.233 0.000 1.107 454 N CA 1.272 53.936 53.050 -0.642 0.000 0.707 454 N CB -1.043 37.401 38.487 -0.073 0.000 1.054 454 N HN 1.110 nan 8.380 nan 0.000 0.555 455 C N -4.341 114.746 119.300 -0.356 0.000 3.249 455 C HA 0.795 5.255 4.460 -0.000 0.000 0.350 455 C C -1.167 173.876 174.990 0.090 0.000 1.431 455 C CA -1.348 57.709 59.018 0.065 0.000 1.209 455 C CB 1.719 29.497 27.740 0.062 0.000 1.546 455 C HN 0.265 nan 8.230 nan 0.000 0.450 456 Y N -0.124 120.000 120.300 -0.294 0.000 2.592 456 Y HA 0.463 5.013 4.550 -0.000 0.000 0.334 456 Y C -0.382 174.916 175.900 -1.003 0.000 1.136 456 Y CA 0.411 58.113 58.100 -0.664 0.000 1.042 456 Y CB 1.347 39.752 38.460 -0.090 0.000 1.325 456 Y HN 1.030 nan 8.280 nan 0.000 0.457 457 D N 1.889 121.110 120.400 -1.966 0.000 2.708 457 D HA -0.136 4.504 4.640 -0.000 0.000 0.236 457 D C -0.984 175.015 176.300 -0.502 0.000 1.146 457 D CA 0.918 54.395 54.000 -0.871 0.000 0.662 457 D CB -0.984 39.862 40.800 0.078 0.000 1.059 457 D HN 0.154 nan 8.370 nan 0.000 0.428 458 V N 1.498 120.863 119.914 -0.914 0.000 2.320 458 V HA 0.302 4.422 4.120 -0.000 0.000 0.265 458 V C 0.458 176.502 176.094 -0.083 0.000 1.048 458 V CA -0.282 61.859 62.300 -0.264 0.000 0.865 458 V CB 0.023 31.733 31.823 -0.188 0.000 1.043 458 V HN -0.014 nan 8.190 nan 0.000 0.474 459 F N 2.392 122.381 119.950 0.065 0.000 2.458 459 F HA 0.835 5.362 4.527 -0.000 0.000 0.330 459 F C 0.792 176.598 175.800 0.010 0.000 1.082 459 F CA -0.549 57.492 58.000 0.069 0.000 0.995 459 F CB 2.192 41.220 39.000 0.046 0.000 1.170 459 F HN 0.487 nan 8.300 nan 0.000 0.478 460 G N 0.150 109.025 108.800 0.125 0.000 2.740 460 G HA2 0.503 4.463 3.960 -0.000 0.000 0.296 460 G HA3 0.503 4.463 3.960 -0.000 0.000 0.296 460 G C 0.016 174.821 174.900 -0.159 0.000 1.439 460 G CA -0.323 44.773 45.100 -0.008 0.000 1.066 460 G HN 0.876 nan 8.290 nan 0.000 0.527 461 A N 1.198 123.854 122.820 -0.273 0.000 2.131 461 A HA -0.062 4.258 4.320 -0.000 0.000 0.220 461 A C 2.075 179.004 177.584 -1.092 0.000 1.158 461 A CA 1.901 53.582 52.037 -0.594 0.000 0.665 461 A CB -0.080 18.596 19.000 -0.540 0.000 0.795 461 A HN 0.588 nan 8.150 nan 0.000 0.460 462 Q N -0.091 119.274 119.800 -0.725 0.000 2.269 462 Q HA 0.144 4.484 4.340 -0.000 0.000 0.201 462 Q C 0.379 176.295 176.000 -0.139 0.000 0.946 462 Q CA 0.739 56.257 55.803 -0.475 0.000 0.877 462 Q CB 0.124 28.783 28.738 -0.132 0.000 0.963 462 Q HN 0.470 nan 8.270 nan 0.000 0.472 463 S N 2.609 118.235 115.700 -0.124 0.000 2.442 463 S HA 0.384 4.854 4.470 -0.000 0.000 0.297 463 S C -2.456 172.118 174.600 -0.043 0.000 1.131 463 S CA -1.367 56.811 58.200 -0.036 0.000 1.092 463 S CB 1.096 64.276 63.200 -0.034 0.000 0.998 463 S HN 0.067 nan 8.310 nan 0.000 0.478 464 P HA 0.260 nan 4.420 nan 0.000 0.271 464 P C -1.014 176.281 177.300 -0.008 0.000 1.218 464 P CA -0.254 62.817 63.100 -0.050 0.000 0.780 464 P CB 0.382 31.946 31.700 -0.227 0.000 0.901 465 F N 1.581 121.443 119.950 -0.147 0.000 2.547 465 F HA 0.696 5.223 4.527 -0.000 0.000 0.316 465 F C -0.342 175.445 175.800 -0.021 0.000 1.121 465 F CA 0.159 58.113 58.000 -0.078 0.000 0.911 465 F CB 2.108 41.121 39.000 0.023 0.000 1.179 465 F HN 0.640 nan 8.300 nan 0.000 0.443 466 G N 2.253 110.649 108.800 -0.673 0.000 2.356 466 G HA2 0.489 4.449 3.960 -0.000 0.000 0.294 466 G HA3 0.489 4.449 3.960 -0.000 0.000 0.294 466 G C -1.627 173.031 174.900 -0.403 0.000 1.423 466 G CA -0.228 44.610 45.100 -0.436 0.000 0.806 466 G HN 1.012 nan 8.290 nan 0.000 0.527 467 G N -1.482 107.197 108.800 -0.200 0.000 2.471 467 G HA2 0.623 4.583 3.960 -0.000 0.000 0.332 467 G HA3 0.623 4.583 3.960 -0.000 0.000 0.332 467 G C -1.404 173.528 174.900 0.053 0.000 1.176 467 G CA -0.580 44.482 45.100 -0.064 0.000 0.949 467 G HN 0.450 nan 8.290 nan 0.000 0.488 468 Y N 0.312 120.552 120.300 -0.100 0.000 2.458 468 Y HA 0.430 4.980 4.550 -0.000 0.000 0.322 468 Y C 1.435 177.316 175.900 -0.032 0.000 1.259 468 Y CA -0.291 57.765 58.100 -0.073 0.000 1.302 468 Y CB 1.463 39.876 38.460 -0.078 0.000 1.314 468 Y HN 0.861 nan 8.280 nan 0.000 0.509 469 K N -0.343 120.121 120.400 0.106 0.000 1.824 469 K HA -0.329 3.991 4.320 -0.000 0.000 0.120 469 K C 0.651 177.270 176.600 0.033 0.000 1.268 469 K CA 2.052 58.370 56.287 0.052 0.000 0.420 469 K CB -1.013 31.527 32.500 0.066 0.000 0.586 469 K HN 0.670 nan 8.250 nan 0.000 0.907 470 M N 1.025 120.640 119.600 0.026 0.000 2.581 470 M HA 0.034 4.514 4.480 -0.000 0.000 0.224 470 M C 0.758 177.140 176.300 0.138 0.000 1.171 470 M CA 0.538 55.852 55.300 0.024 0.000 0.993 470 M CB 0.220 32.773 32.600 -0.078 0.000 1.685 470 M HN 0.296 nan 8.290 nan 0.000 0.479 471 S N 0.462 116.272 115.700 0.184 0.000 2.593 471 S HA 0.331 4.801 4.470 -0.000 0.000 0.217 471 S C 0.863 175.533 174.600 0.117 0.000 0.966 471 S CA 0.399 58.729 58.200 0.217 0.000 0.914 471 S CB 0.201 63.506 63.200 0.175 0.000 0.776 471 S HN 0.770 nan 8.310 nan 0.000 0.523 472 G N 0.802 109.652 108.800 0.083 0.000 2.334 472 G HA2 0.254 4.214 3.960 -0.000 0.000 0.315 472 G HA3 0.254 4.214 3.960 -0.000 0.000 0.315 472 G C -1.076 173.826 174.900 0.004 0.000 1.284 472 G CA -0.426 44.708 45.100 0.057 0.000 0.985 472 G HN 0.727 nan 8.290 nan 0.000 0.504 473 S N -1.102 114.596 115.700 -0.004 0.000 2.541 473 S HA 1.008 5.477 4.470 -0.000 0.000 0.271 473 S C 0.387 174.964 174.600 -0.038 0.000 1.133 473 S CA 0.587 58.762 58.200 -0.042 0.000 0.876 473 S CB 1.592 64.768 63.200 -0.041 0.000 1.105 473 S HN 3.072 nan 8.310 nan 0.000 0.470 474 G N 1.854 110.616 108.800 -0.063 0.000 2.756 474 G HA2 0.115 4.075 3.960 -0.000 0.000 0.678 474 G HA3 0.115 4.075 3.960 -0.000 0.000 0.678 474 G C -1.392 173.481 174.900 -0.046 0.000 1.349 474 G CA -0.973 44.099 45.100 -0.047 0.000 0.847 474 G HN 0.845 nan 8.290 nan 0.000 0.548 475 R N 0.259 120.748 120.500 -0.017 0.000 2.744 475 R HA 0.617 4.957 4.340 -0.000 0.000 0.279 475 R C -0.241 176.093 176.300 0.058 0.000 0.977 475 R CA -0.715 55.377 56.100 -0.012 0.000 0.906 475 R CB 1.912 32.169 30.300 -0.072 0.000 1.197 475 R HN 0.767 nan 8.270 nan 0.000 0.463 476 E N 1.802 122.046 120.200 0.072 0.000 2.263 476 E HA 0.613 4.962 4.350 -0.000 0.000 0.264 476 E C -0.346 176.249 176.600 -0.008 0.000 0.923 476 E CA -0.925 55.518 56.400 0.072 0.000 0.802 476 E CB 1.893 31.661 29.700 0.114 0.000 1.228 476 E HN 0.324 nan 8.360 nan 0.000 0.417 477 L N -0.132 121.102 121.223 0.017 0.000 0.585 477 L HA -0.253 4.087 4.340 -0.000 0.000 0.356 477 L C 0.598 177.544 176.870 0.127 0.000 0.963 477 L CA 0.702 55.536 54.840 -0.009 0.000 1.223 477 L CB -1.395 40.469 42.059 -0.324 0.000 0.011 477 L HN 1.014 nan 8.230 nan 0.000 0.091 478 G N 0.268 109.075 108.800 0.012 0.000 2.752 478 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.234 478 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.234 478 G C 0.414 175.508 174.900 0.324 0.000 1.367 478 G CA 0.933 46.165 45.100 0.220 0.000 0.879 478 G HN 1.159 nan 8.290 nan 0.000 0.563 479 E N -1.046 119.295 120.200 0.235 0.000 2.110 479 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 479 E C 2.193 178.645 176.600 -0.246 0.000 0.988 479 E CA 1.773 58.006 56.400 -0.279 0.000 0.804 479 E CB -0.165 29.408 29.700 -0.212 0.000 0.745 479 E HN 0.625 nan 8.360 nan 0.000 0.458 480 Y N -0.173 120.109 120.300 -0.029 0.000 2.315 480 Y HA -0.092 4.458 4.550 -0.000 0.000 0.288 480 Y C 2.388 178.266 175.900 -0.037 0.000 1.154 480 Y CA 1.044 59.131 58.100 -0.021 0.000 1.229 480 Y CB -0.665 37.797 38.460 0.003 0.000 0.980 480 Y HN 0.155 nan 8.280 nan 0.000 0.540 481 G N -0.276 108.627 108.800 0.172 0.000 2.535 481 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.218 481 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.218 481 G C 1.379 176.289 174.900 0.016 0.000 1.122 481 G CA 0.664 45.848 45.100 0.140 0.000 0.769 481 G HN 0.416 nan 8.290 nan 0.000 0.549 482 L N -0.973 120.133 121.223 -0.195 0.000 2.416 482 L HA 0.114 4.454 4.340 -0.000 0.000 0.216 482 L C 2.818 179.515 176.870 -0.288 0.000 1.098 482 L CA 0.128 54.712 54.840 -0.425 0.000 0.840 482 L CB -0.286 41.072 42.059 -1.168 0.000 0.981 482 L HN 0.185 nan 8.230 nan 0.000 0.462 483 Q N 0.825 120.538 119.800 -0.145 0.000 2.045 483 Q HA -0.241 4.099 4.340 -0.000 0.000 0.206 483 Q C 2.375 178.343 176.000 -0.053 0.000 0.991 483 Q CA 2.136 57.929 55.803 -0.017 0.000 0.851 483 Q CB -0.304 28.454 28.738 0.034 0.000 0.911 483 Q HN 0.564 nan 8.270 nan 0.000 0.418 484 A N -0.566 122.195 122.820 -0.100 0.000 2.172 484 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 484 A C 0.890 178.233 177.584 -0.401 0.000 1.154 484 A CA 0.882 52.772 52.037 -0.246 0.000 0.701 484 A CB -0.312 18.495 19.000 -0.321 0.000 0.789 484 A HN 0.437 nan 8.150 nan 0.000 0.465 485 Y N -0.331 119.918 120.300 -0.084 0.000 2.571 485 Y HA 0.213 4.763 4.550 -0.000 0.000 0.275 485 Y C 0.222 176.096 175.900 -0.042 0.000 1.179 485 Y CA 0.076 58.133 58.100 -0.071 0.000 1.242 485 Y CB 0.534 38.934 38.460 -0.100 0.000 1.126 485 Y HN 0.067 nan 8.280 nan 0.000 0.524 486 T N 0.133 114.711 114.554 0.041 0.000 2.848 486 T HA 0.319 4.668 4.350 -0.000 0.000 0.285 486 T C -1.053 173.641 174.700 -0.010 0.000 0.995 486 T CA -0.686 61.443 62.100 0.047 0.000 0.970 486 T CB 1.914 70.825 68.868 0.071 0.000 0.976 486 T HN -0.102 nan 8.240 nan 0.000 0.441 487 E N 2.366 122.576 120.200 0.018 0.000 2.129 487 E HA 0.479 4.829 4.350 -0.000 0.000 0.268 487 E C -0.937 175.663 176.600 -0.001 0.000 0.900 487 E CA -0.562 55.839 56.400 0.002 0.000 0.755 487 E CB 0.863 30.584 29.700 0.035 0.000 1.117 487 E HN 0.340 nan 8.360 nan 0.000 0.410 488 V N 5.447 125.338 119.914 -0.038 0.000 2.455 488 V HA 0.247 4.367 4.120 -0.000 0.000 0.273 488 V C 0.281 176.377 176.094 0.003 0.000 1.045 488 V CA -0.321 61.968 62.300 -0.018 0.000 0.976 488 V CB 0.935 32.726 31.823 -0.053 0.000 0.993 488 V HN 0.540 nan 8.190 nan 0.000 0.475 489 K N 3.373 123.786 120.400 0.023 0.000 2.244 489 K HA 0.523 4.843 4.320 -0.000 0.000 0.260 489 K C -0.588 175.968 176.600 -0.073 0.000 0.951 489 K CA -0.388 55.886 56.287 -0.022 0.000 0.826 489 K CB 1.523 34.016 32.500 -0.012 0.000 1.108 489 K HN 0.675 nan 8.250 nan 0.000 0.433 490 T N 3.016 117.497 114.554 -0.121 0.000 2.767 490 T HA 0.320 4.670 4.350 -0.000 0.000 0.284 490 T C -0.892 173.622 174.700 -0.309 0.000 0.973 490 T CA -0.543 61.438 62.100 -0.198 0.000 0.996 490 T CB 1.182 69.962 68.868 -0.147 0.000 0.927 490 T HN 0.309 nan 8.240 nan 0.000 0.456 491 V N 4.070 123.645 119.914 -0.565 0.000 2.378 491 V HA 0.445 4.565 4.120 -0.000 0.000 0.288 491 V C 0.081 175.815 176.094 -0.600 0.000 1.016 491 V CA -0.729 61.176 62.300 -0.659 0.000 0.840 491 V CB 1.737 32.916 31.823 -1.074 0.000 0.994 491 V HN 0.942 nan 8.190 nan 0.000 0.431 492 T N 4.726 119.092 114.554 -0.314 0.000 2.809 492 T HA 0.518 4.868 4.350 -0.000 0.000 0.296 492 T C -0.282 174.402 174.700 -0.026 0.000 1.015 492 T CA -0.310 61.682 62.100 -0.181 0.000 0.954 492 T CB 1.301 70.057 68.868 -0.187 0.000 0.950 492 T HN 0.336 nan 8.240 nan 0.000 0.450 493 V N 3.927 123.892 119.914 0.085 0.000 2.472 493 V HA 0.441 4.561 4.120 -0.000 0.000 0.290 493 V C 0.450 176.740 176.094 0.327 0.000 1.037 493 V CA -1.120 61.302 62.300 0.204 0.000 0.908 493 V CB 1.656 33.632 31.823 0.255 0.000 0.985 493 V HN 0.718 nan 8.190 nan 0.000 0.454 494 K N 3.930 124.495 120.400 0.275 0.000 2.322 494 K HA 0.506 4.826 4.320 -0.000 0.000 0.283 494 K C -0.550 176.077 176.600 0.045 0.000 1.042 494 K CA -0.312 56.068 56.287 0.154 0.000 0.958 494 K CB 1.069 33.644 32.500 0.125 0.000 0.984 494 K HN 0.673 nan 8.250 nan 0.000 0.473 495 V N 2.009 121.882 119.914 -0.068 0.000 2.864 495 V HA 0.427 4.547 4.120 -0.000 0.000 0.314 495 V C -2.135 173.900 176.094 -0.098 0.000 1.073 495 V CA -2.015 60.261 62.300 -0.040 0.000 0.956 495 V CB 1.355 33.178 31.823 -0.001 0.000 1.023 495 V HN 0.691 nan 8.190 nan 0.000 0.435 496 P HA -0.102 nan 4.420 nan 0.000 0.214 496 P C 0.086 177.337 177.300 -0.081 0.000 1.163 496 P CA 1.403 64.464 63.100 -0.065 0.000 0.889 496 P CB 0.140 31.814 31.700 -0.043 0.000 0.790 497 Q N -1.156 118.599 119.800 -0.075 0.000 2.371 497 Q HA 0.151 4.491 4.340 -0.000 0.000 0.244 497 Q C -1.132 174.831 176.000 -0.062 0.000 0.882 497 Q CA -0.756 55.004 55.803 -0.072 0.000 0.866 497 Q CB 1.038 29.744 28.738 -0.053 0.000 1.399 497 Q HN -0.232 nan 8.270 nan 0.000 0.432 498 K N 3.764 124.125 120.400 -0.064 0.000 2.322 498 K HA 0.309 4.629 4.320 -0.000 0.000 0.283 498 K C -1.142 175.445 176.600 -0.021 0.000 1.042 498 K CA 0.294 56.561 56.287 -0.032 0.000 0.958 498 K CB 0.583 33.076 32.500 -0.013 0.000 0.984 498 K HN 0.746 nan 8.250 nan 0.000 0.473 499 N N 1.076 119.765 118.700 -0.018 0.000 2.321 499 N HA 0.140 4.880 4.740 -0.000 0.000 0.290 499 N C -0.646 174.859 175.510 -0.009 0.000 1.212 499 N CA -0.515 52.526 53.050 -0.015 0.000 0.767 499 N CB 1.782 40.253 38.487 -0.026 0.000 1.494 499 N HN 0.682 nan 8.380 nan 0.000 0.479 500 S N 0.000 115.697 115.700 -0.004 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.200 58.200 -0.000 0.000 1.107 500 S CB 0.000 63.201 63.200 0.002 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517