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 1o02_1_B 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 0.000 177.589 177.584 0.008 0.000 1.274 7 A CA 0.000 52.059 52.037 0.037 0.000 0.836 7 A CB 0.000 19.029 19.000 0.049 0.000 0.831 8 V N 2.976 122.856 119.914 -0.057 0.000 2.417 8 V HA 0.526 4.646 4.120 -0.001 0.000 0.291 8 V C -2.040 173.938 176.094 -0.193 0.000 1.024 8 V CA -1.498 60.653 62.300 -0.249 0.000 0.861 8 V CB 1.423 33.136 31.823 -0.184 0.000 0.985 8 V HN 0.779 nan 8.190 nan 0.000 0.436 9 P HA 0.301 nan 4.420 nan 0.000 0.268 9 P C -0.189 177.113 177.300 0.003 0.000 1.205 9 P CA -0.070 62.969 63.100 -0.103 0.000 0.771 9 P CB 0.523 32.170 31.700 -0.089 0.000 0.858 10 A N 5.162 127.978 122.820 -0.006 0.000 2.546 10 A HA 0.277 4.597 4.320 -0.001 0.000 0.243 10 A C -1.662 175.849 177.584 -0.122 0.000 1.063 10 A CA -0.609 51.405 52.037 -0.039 0.000 0.757 10 A CB -1.005 17.966 19.000 -0.049 0.000 0.991 10 A HN 0.435 nan 8.150 nan 0.000 0.503 11 P HA 0.160 nan 4.420 nan 0.000 0.279 11 P C -0.859 176.200 177.300 -0.403 0.000 1.252 11 P CA -0.730 62.018 63.100 -0.587 0.000 0.811 11 P CB 0.796 31.723 31.700 -1.289 0.000 1.035 12 N N 1.394 119.891 118.700 -0.338 0.000 2.420 12 N HA 0.039 4.779 4.740 -0.001 0.000 0.249 12 N C 0.786 175.946 175.510 -0.584 0.000 1.033 12 N CA 0.039 52.905 53.050 -0.307 0.000 0.944 12 N CB 0.510 38.915 38.487 -0.136 0.000 1.113 12 N HN 0.246 nan 8.380 nan 0.000 0.502 13 Q N 1.919 121.267 119.800 -0.753 0.000 2.488 13 Q HA -0.022 4.317 4.340 -0.001 0.000 0.211 13 Q C -0.215 175.335 176.000 -0.750 0.000 0.967 13 Q CA 0.877 55.906 55.803 -1.289 0.000 0.926 13 Q CB 0.262 28.446 28.738 -0.924 0.000 0.992 13 Q HN 0.651 nan 8.270 nan 0.000 0.506 14 Q N 1.063 120.617 119.800 -0.409 0.000 3.048 14 Q HA 0.231 4.571 4.340 -0.001 0.000 0.337 14 Q C -2.456 173.451 176.000 -0.155 0.000 0.845 14 Q CA -1.444 54.225 55.803 -0.224 0.000 0.942 14 Q CB 1.308 29.944 28.738 -0.169 0.000 1.454 14 Q HN 0.121 nan 8.270 nan 0.000 0.392 15 P HA -0.065 nan 4.420 nan 0.000 0.268 15 P C -0.343 176.916 177.300 -0.069 0.000 1.205 15 P CA 0.154 63.233 63.100 -0.035 0.000 0.771 15 P CB 1.075 32.730 31.700 -0.075 0.000 0.858 16 E N 1.503 121.646 120.200 -0.094 0.000 2.366 16 E HA 0.231 4.580 4.350 -0.001 0.000 0.266 16 E C -0.746 175.512 176.600 -0.570 0.000 1.051 16 E CA -0.713 55.472 56.400 -0.359 0.000 0.884 16 E CB 0.773 30.183 29.700 -0.483 0.000 1.006 16 E HN 0.158 nan 8.360 nan 0.000 0.417 17 V N 5.628 125.226 119.914 -0.527 0.000 2.394 17 V HA 0.139 4.258 4.120 -0.001 0.000 0.282 17 V C 0.017 175.792 176.094 -0.533 0.000 1.031 17 V CA -0.052 62.004 62.300 -0.408 0.000 0.881 17 V CB 0.880 32.575 31.823 -0.214 0.000 0.982 17 V HN 0.715 nan 8.190 nan 0.000 0.451 18 F N 1.569 121.536 119.950 0.029 0.000 2.694 18 F HA 0.251 4.777 4.527 -0.001 0.000 0.292 18 F C 0.939 176.634 175.800 -0.175 0.000 1.121 18 F CA -0.057 57.925 58.000 -0.030 0.000 1.352 18 F CB 0.432 39.466 39.000 0.058 0.000 1.107 18 F HN 0.385 nan 8.300 nan 0.000 0.597 19 C N 1.872 121.143 119.300 -0.048 0.000 2.396 19 C HA 0.449 4.908 4.460 -0.001 0.000 0.321 19 C C 0.197 174.991 174.990 -0.327 0.000 1.233 19 C CA -0.857 57.886 59.018 -0.458 0.000 1.440 19 C CB 0.698 28.117 27.740 -0.535 0.000 2.110 19 C HN 0.536 nan 8.230 nan 0.000 0.473 20 N N 1.133 119.611 118.700 -0.370 0.000 2.361 20 N HA 0.073 4.812 4.740 -0.001 0.000 0.253 20 N C -0.557 174.903 175.510 -0.082 0.000 1.413 20 N CA -0.256 52.686 53.050 -0.180 0.000 0.821 20 N CB 0.014 38.398 38.487 -0.171 0.000 1.380 20 N HN 0.811 nan 8.380 nan 0.000 0.493 21 Q N -0.105 119.700 119.800 0.010 0.000 2.962 21 Q HA 0.579 4.918 4.340 -0.001 0.000 0.282 21 Q C -0.533 175.800 176.000 0.555 0.000 1.058 21 Q CA -0.998 54.971 55.803 0.276 0.000 0.854 21 Q CB 1.979 30.917 28.738 0.335 0.000 1.441 21 Q HN 0.131 nan 8.270 nan 0.000 0.497 22 I N 1.265 122.125 120.570 0.484 0.000 2.395 22 I HA 0.164 4.333 4.170 -0.001 0.000 0.289 22 I C -0.775 175.584 176.117 0.404 0.000 1.023 22 I CA -0.100 61.431 61.300 0.385 0.000 1.350 22 I CB 0.433 38.566 38.000 0.221 0.000 1.409 22 I HN 0.372 nan 8.210 nan 0.000 0.507 23 F N 8.285 128.232 119.950 -0.005 0.000 2.361 23 F HA 0.623 5.149 4.527 -0.001 0.000 0.364 23 F C -0.545 175.114 175.800 -0.236 0.000 1.120 23 F CA -0.362 57.407 58.000 -0.386 0.000 1.102 23 F CB 0.398 38.991 39.000 -0.678 0.000 1.183 23 F HN 0.187 nan 8.300 nan 0.000 0.476 24 I N 5.504 125.782 120.570 -0.486 0.000 2.607 24 I HA 0.208 4.378 4.170 -0.001 0.000 0.290 24 I C -0.403 175.443 176.117 -0.450 0.000 1.129 24 I CA -1.071 59.974 61.300 -0.425 0.000 1.042 24 I CB 1.881 39.611 38.000 -0.450 0.000 1.242 24 I HN 0.495 nan 8.210 nan 0.000 0.421 25 N N 4.561 123.026 118.700 -0.392 0.000 2.727 25 N HA -0.217 4.522 4.740 -0.001 0.000 0.249 25 N C -0.019 175.237 175.510 -0.423 0.000 1.048 25 N CA 0.879 53.749 53.050 -0.300 0.000 0.714 25 N CB -0.908 37.486 38.487 -0.155 0.000 0.959 25 N HN 0.779 nan 8.380 nan 0.000 0.544 26 N N -1.489 116.727 118.700 -0.808 0.000 2.714 26 N HA -0.202 4.538 4.740 -0.001 0.000 0.250 26 N C -0.841 174.215 175.510 -0.757 0.000 1.117 26 N CA 1.475 54.005 53.050 -0.866 0.000 0.719 26 N CB -0.365 37.964 38.487 -0.263 0.000 1.081 26 N HN 0.582 nan 8.380 nan 0.000 0.557 27 E N -1.200 118.498 120.200 -0.836 0.000 2.369 27 E HA 0.384 4.734 4.350 -0.001 0.000 0.270 27 E C -0.313 175.977 176.600 -0.518 0.000 0.909 27 E CA -0.509 55.591 56.400 -0.499 0.000 0.775 27 E CB 0.697 30.226 29.700 -0.286 0.000 1.270 27 E HN 0.123 nan 8.360 nan 0.000 0.445 28 W N 0.906 122.140 121.300 -0.110 0.000 2.390 28 W HA 0.324 4.984 4.660 -0.001 0.000 0.312 28 W C 0.139 176.571 176.519 -0.146 0.000 1.123 28 W CA -0.199 57.164 57.345 0.029 0.000 1.202 28 W CB 0.757 30.263 29.460 0.077 0.000 1.251 28 W HN 0.384 nan 8.180 nan 0.000 0.511 29 H N 0.801 120.036 119.070 0.276 0.000 2.768 29 H HA 0.295 4.851 4.556 -0.001 0.000 0.371 29 H C -0.366 175.062 175.328 0.167 0.000 1.151 29 H CA -0.899 55.246 56.048 0.161 0.000 1.165 29 H CB 1.341 31.151 29.762 0.080 0.000 1.722 29 H HN 0.233 nan 8.280 nan 0.000 0.543 30 D N 0.461 121.004 120.400 0.238 0.000 2.354 30 D HA 0.393 5.033 4.640 -0.001 0.000 0.247 30 D C 0.319 176.718 176.300 0.165 0.000 1.138 30 D CA -0.419 53.682 54.000 0.168 0.000 0.958 30 D CB 1.075 41.944 40.800 0.115 0.000 1.144 30 D HN 0.658 nan 8.370 nan 0.000 0.458 31 A N 0.536 123.438 122.820 0.136 0.000 2.425 31 A HA 0.141 4.461 4.320 -0.001 0.000 0.242 31 A C 1.521 179.165 177.584 0.100 0.000 1.077 31 A CA -0.480 51.628 52.037 0.119 0.000 0.781 31 A CB 0.347 19.421 19.000 0.123 0.000 1.020 31 A HN 0.402 nan 8.150 nan 0.000 0.494 32 V N 2.124 122.088 119.914 0.083 0.000 2.469 32 V HA -0.251 3.869 4.120 -0.001 0.000 0.251 32 V C 2.664 178.798 176.094 0.067 0.000 1.064 32 V CA 2.753 65.095 62.300 0.070 0.000 1.066 32 V CB -0.911 30.945 31.823 0.056 0.000 0.667 32 V HN 1.108 nan 8.190 nan 0.000 0.461 33 S N -1.131 114.613 115.700 0.073 0.000 2.522 33 S HA -0.081 4.389 4.470 -0.001 0.000 0.227 33 S C 1.257 175.900 174.600 0.071 0.000 0.986 33 S CA 0.226 58.467 58.200 0.069 0.000 0.929 33 S CB -0.040 63.206 63.200 0.077 0.000 0.769 33 S HN 0.524 nan 8.310 nan 0.000 0.529 34 R N -0.293 120.254 120.500 0.079 0.000 3.954 34 R HA -0.095 4.245 4.340 -0.001 0.000 0.422 34 R C -0.710 175.638 176.300 0.080 0.000 1.091 34 R CA 1.092 57.237 56.100 0.074 0.000 1.168 34 R CB -2.423 27.913 30.300 0.059 0.000 1.752 34 R HN 0.562 nan 8.270 nan 0.000 0.547 35 K N 1.429 121.888 120.400 0.098 0.000 2.237 35 K HA 0.299 4.619 4.320 -0.001 0.000 0.270 35 K C 0.834 177.518 176.600 0.139 0.000 1.015 35 K CA 0.587 56.945 56.287 0.119 0.000 0.949 35 K CB 0.815 33.401 32.500 0.143 0.000 0.976 35 K HN 0.270 nan 8.250 nan 0.000 0.472 36 T N -0.942 113.694 114.554 0.137 0.000 2.906 36 T HA 0.690 5.039 4.350 -0.001 0.000 0.295 36 T C -0.802 174.016 174.700 0.196 0.000 1.075 36 T CA -1.032 61.132 62.100 0.105 0.000 1.005 36 T CB 0.727 69.591 68.868 -0.006 0.000 1.136 36 T HN 0.459 nan 8.240 nan 0.000 0.498 37 F N -0.567 119.408 119.950 0.042 0.000 2.563 37 F HA 0.872 5.399 4.527 -0.001 0.000 0.316 37 F C -3.065 172.757 175.800 0.036 0.000 1.076 37 F CA -2.972 55.074 58.000 0.076 0.000 0.921 37 F CB 1.560 40.612 39.000 0.086 0.000 1.209 37 F HN 0.405 nan 8.300 nan 0.000 0.462 38 P HA 0.184 nan 4.420 nan 0.000 0.284 38 P C -0.952 176.394 177.300 0.077 0.000 1.253 38 P CA -0.150 62.960 63.100 0.015 0.000 0.800 38 P CB 1.960 33.701 31.700 0.069 0.000 0.961 39 T N 1.790 116.326 114.554 -0.030 0.000 2.797 39 T HA 0.412 4.762 4.350 -0.001 0.000 0.279 39 T C -0.565 174.142 174.700 0.012 0.000 0.991 39 T CA -0.522 61.598 62.100 0.033 0.000 0.979 39 T CB 0.441 69.305 68.868 -0.006 0.000 0.943 39 T HN 0.072 nan 8.240 nan 0.000 0.444 40 V N 5.402 125.335 119.914 0.032 0.000 2.612 40 V HA 0.467 4.586 4.120 -0.001 0.000 0.301 40 V C 0.447 176.542 176.094 0.000 0.000 1.046 40 V CA -1.138 61.174 62.300 0.020 0.000 0.946 40 V CB 1.743 33.600 31.823 0.056 0.000 1.003 40 V HN 0.873 nan 8.190 nan 0.000 0.459 41 N N 5.695 124.384 118.700 -0.017 0.000 2.406 41 N HA 0.229 4.968 4.740 -0.001 0.000 0.251 41 N C -1.380 174.091 175.510 -0.066 0.000 1.069 41 N CA -2.059 50.971 53.050 -0.034 0.000 0.947 41 N CB 1.637 40.108 38.487 -0.026 0.000 1.111 41 N HN 0.327 nan 8.380 nan 0.000 0.497 42 P HA -0.048 nan 4.420 nan 0.000 0.225 42 P C 0.678 177.770 177.300 -0.347 0.000 1.148 42 P CA 0.753 63.797 63.100 -0.093 0.000 0.779 42 P CB 0.439 32.119 31.700 -0.033 0.000 0.780 43 S N -0.489 115.063 115.700 -0.245 0.000 2.436 43 S HA -0.044 4.426 4.470 -0.001 0.000 0.228 43 S C 1.820 176.377 174.600 -0.070 0.000 1.014 43 S CA 1.833 59.932 58.200 -0.167 0.000 0.950 43 S CB -0.622 62.601 63.200 0.037 0.000 0.784 43 S HN 0.460 nan 8.310 nan 0.000 0.504 44 T N -3.439 111.032 114.554 -0.137 0.000 2.958 44 T HA 0.467 4.816 4.350 -0.001 0.000 0.256 44 T C 1.472 176.047 174.700 -0.208 0.000 0.983 44 T CA 0.795 62.821 62.100 -0.123 0.000 0.924 44 T CB 0.443 69.274 68.868 -0.060 0.000 1.136 44 T HN 0.472 nan 8.240 nan 0.000 0.506 45 G N 1.559 110.192 108.800 -0.278 0.000 2.179 45 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.260 45 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.260 45 G C -0.208 174.635 174.900 -0.094 0.000 0.977 45 G CA 0.119 45.065 45.100 -0.256 0.000 0.641 45 G HN 0.609 nan 8.290 nan 0.000 0.533 46 E N 0.078 120.232 120.200 -0.076 0.000 2.242 46 E HA 0.524 4.874 4.350 -0.001 0.000 0.275 46 E C 0.633 177.217 176.600 -0.027 0.000 1.002 46 E CA -0.774 55.600 56.400 -0.043 0.000 0.841 46 E CB 1.919 31.592 29.700 -0.044 0.000 1.109 46 E HN 0.145 nan 8.360 nan 0.000 0.394 47 V N 3.762 123.665 119.914 -0.019 0.000 2.585 47 V HA -0.020 4.100 4.120 -0.001 0.000 0.296 47 V C 1.701 177.774 176.094 -0.036 0.000 1.035 47 V CA 0.417 62.706 62.300 -0.019 0.000 1.084 47 V CB 0.165 31.980 31.823 -0.015 0.000 0.953 47 V HN 0.624 nan 8.190 nan 0.000 0.483 48 I N 3.790 124.334 120.570 -0.043 0.000 2.339 48 I HA 0.053 4.222 4.170 -0.001 0.000 0.245 48 I C 0.959 177.030 176.117 -0.076 0.000 1.096 48 I CA 1.278 62.543 61.300 -0.058 0.000 1.408 48 I CB 0.257 38.222 38.000 -0.057 0.000 1.092 48 I HN 0.895 nan 8.210 nan 0.000 0.423 49 C N -2.281 116.965 119.300 -0.089 0.000 3.167 49 C HA 0.393 4.853 4.460 -0.001 0.000 0.348 49 C C -1.354 173.550 174.990 -0.144 0.000 1.394 49 C CA -1.211 57.742 59.018 -0.108 0.000 1.204 49 C CB 1.152 28.818 27.740 -0.123 0.000 1.467 49 C HN 0.121 nan 8.230 nan 0.000 0.446 50 Q N 0.542 120.250 119.800 -0.153 0.000 2.227 50 Q HA 0.764 5.103 4.340 -0.001 0.000 0.245 50 Q C -0.667 175.152 176.000 -0.301 0.000 0.926 50 Q CA -0.244 55.436 55.803 -0.205 0.000 0.895 50 Q CB 1.927 30.593 28.738 -0.120 0.000 1.230 50 Q HN 0.751 nan 8.270 nan 0.000 0.450 51 V N 0.642 120.240 119.914 -0.526 0.000 2.709 51 V HA 0.485 4.605 4.120 -0.001 0.000 0.308 51 V C -0.421 175.430 176.094 -0.405 0.000 1.062 51 V CA -1.268 60.696 62.300 -0.561 0.000 0.901 51 V CB 1.894 33.173 31.823 -0.907 0.000 1.003 51 V HN 0.900 nan 8.190 nan 0.000 0.425 52 A N 2.722 125.480 122.820 -0.103 0.000 2.566 52 A HA 0.141 4.460 4.320 -0.001 0.000 0.245 52 A C 0.443 178.154 177.584 0.212 0.000 1.056 52 A CA 0.354 52.432 52.037 0.067 0.000 0.757 52 A CB -0.106 18.971 19.000 0.128 0.000 0.979 52 A HN 0.884 nan 8.150 nan 0.000 0.508 53 E N 3.024 123.385 120.200 0.269 0.000 1.924 53 E HA 0.325 4.674 4.350 -0.001 0.000 0.261 53 E C 0.687 177.395 176.600 0.181 0.000 1.088 53 E CA -0.244 56.352 56.400 0.326 0.000 0.909 53 E CB 0.149 30.059 29.700 0.349 0.000 1.112 53 E HN 0.810 nan 8.360 nan 0.000 0.425 54 G N 3.346 112.234 108.800 0.147 0.000 2.491 54 G HA2 0.036 3.996 3.960 -0.001 0.000 0.242 54 G HA3 0.036 3.996 3.960 -0.001 0.000 0.242 54 G C -0.241 174.710 174.900 0.085 0.000 1.266 54 G CA -0.198 44.966 45.100 0.106 0.000 0.844 54 G HN 0.555 nan 8.290 nan 0.000 0.571 55 D N -0.340 120.110 120.400 0.083 0.000 2.837 55 D HA 0.191 4.831 4.640 -0.001 0.000 0.294 55 D C 1.339 177.680 176.300 0.068 0.000 1.158 55 D CA -0.804 53.244 54.000 0.080 0.000 1.073 55 D CB 1.504 42.355 40.800 0.085 0.000 1.419 55 D HN 0.274 nan 8.370 nan 0.000 0.584 56 K N 0.292 120.730 120.400 0.064 0.000 2.089 56 K HA -0.185 4.135 4.320 -0.001 0.000 0.210 56 K C 1.496 178.135 176.600 0.065 0.000 1.048 56 K CA 1.762 58.088 56.287 0.065 0.000 0.926 56 K CB 0.062 32.592 32.500 0.049 0.000 0.714 56 K HN 0.323 nan 8.250 nan 0.000 0.448 57 E N 0.201 120.433 120.200 0.054 0.000 2.153 57 E HA -0.179 4.171 4.350 -0.001 0.000 0.194 57 E C 1.623 178.245 176.600 0.037 0.000 0.988 57 E CA 1.249 57.677 56.400 0.046 0.000 0.811 57 E CB -0.023 29.702 29.700 0.042 0.000 0.746 57 E HN 0.482 nan 8.360 nan 0.000 0.466 58 D N 0.482 120.905 120.400 0.038 0.000 2.149 58 D HA -0.087 4.553 4.640 -0.001 0.000 0.201 58 D C 2.144 178.446 176.300 0.003 0.000 0.972 58 D CA 0.630 54.640 54.000 0.016 0.000 0.835 58 D CB 0.027 40.850 40.800 0.039 0.000 0.966 58 D HN 0.029 nan 8.370 nan 0.000 0.476 59 V N 2.011 121.943 119.914 0.030 0.000 2.407 59 V HA -0.208 3.911 4.120 -0.001 0.000 0.248 59 V C 1.928 178.027 176.094 0.008 0.000 1.055 59 V CA 1.659 63.972 62.300 0.022 0.000 1.049 59 V CB -0.358 31.503 31.823 0.063 0.000 0.662 59 V HN 0.027 nan 8.190 nan 0.000 0.455 60 D N 0.059 120.501 120.400 0.071 0.000 2.117 60 D HA -0.158 4.481 4.640 -0.001 0.000 0.197 60 D C 2.258 178.570 176.300 0.019 0.000 0.987 60 D CA 1.252 55.320 54.000 0.113 0.000 0.829 60 D CB -0.194 40.686 40.800 0.133 0.000 0.961 60 D HN 0.423 nan 8.370 nan 0.000 0.460 61 K N 0.604 120.995 120.400 -0.016 0.000 2.057 61 K HA -0.052 4.267 4.320 -0.001 0.000 0.207 61 K C 2.141 178.683 176.600 -0.097 0.000 1.049 61 K CA 1.194 57.443 56.287 -0.062 0.000 0.931 61 K CB -0.085 32.352 32.500 -0.104 0.000 0.714 61 K HN 0.027 nan 8.250 nan 0.000 0.440 62 A N 0.965 123.723 122.820 -0.103 0.000 1.877 62 A HA -0.122 4.197 4.320 -0.001 0.000 0.216 62 A C 2.378 179.891 177.584 -0.118 0.000 1.186 62 A CA 1.434 53.402 52.037 -0.114 0.000 0.620 62 A CB -0.683 18.265 19.000 -0.087 0.000 0.822 62 A HN 0.072 nan 8.150 nan 0.000 0.443 63 V N 0.191 120.011 119.914 -0.156 0.000 2.343 63 V HA -0.278 3.842 4.120 -0.001 0.000 0.247 63 V C 2.432 178.455 176.094 -0.119 0.000 1.051 63 V CA 2.363 64.531 62.300 -0.220 0.000 1.036 63 V CB -0.696 30.799 31.823 -0.546 0.000 0.654 63 V HN 0.543 nan 8.190 nan 0.000 0.451 64 K N 0.228 120.586 120.400 -0.070 0.000 2.097 64 K HA -0.097 4.223 4.320 -0.001 0.000 0.206 64 K C 2.318 178.904 176.600 -0.022 0.000 1.049 64 K CA 1.408 57.683 56.287 -0.020 0.000 0.933 64 K CB -0.392 32.106 32.500 -0.002 0.000 0.717 64 K HN 0.477 nan 8.250 nan 0.000 0.442 65 A N 1.536 124.325 122.820 -0.051 0.000 1.898 65 A HA -0.105 4.214 4.320 -0.001 0.000 0.216 65 A C 2.372 179.937 177.584 -0.031 0.000 1.181 65 A CA 1.801 53.806 52.037 -0.053 0.000 0.620 65 A CB -0.664 18.276 19.000 -0.100 0.000 0.819 65 A HN 0.325 nan 8.150 nan 0.000 0.442 66 A N -0.114 122.681 122.820 -0.043 0.000 1.877 66 A HA -0.150 4.170 4.320 -0.001 0.000 0.216 66 A C 2.181 179.802 177.584 0.060 0.000 1.186 66 A CA 2.160 54.187 52.037 -0.018 0.000 0.620 66 A CB -0.479 18.486 19.000 -0.058 0.000 0.822 66 A HN 0.457 nan 8.150 nan 0.000 0.443 67 R N 0.332 120.860 120.500 0.047 0.000 2.091 67 R HA -0.083 4.256 4.340 -0.001 0.000 0.238 67 R C 2.100 178.493 176.300 0.155 0.000 1.136 67 R CA 2.116 58.285 56.100 0.116 0.000 0.959 67 R CB -0.954 29.390 30.300 0.073 0.000 0.856 67 R HN 0.404 nan 8.270 nan 0.000 0.437 68 A N 0.110 122.986 122.820 0.093 0.000 1.902 68 A HA 0.005 4.325 4.320 -0.001 0.000 0.217 68 A C 2.343 179.991 177.584 0.108 0.000 1.181 68 A CA 1.695 53.781 52.037 0.082 0.000 0.623 68 A CB -1.022 18.004 19.000 0.043 0.000 0.818 68 A HN 0.484 nan 8.150 nan 0.000 0.443 69 A N -2.111 120.779 122.820 0.117 0.000 2.067 69 A HA 0.042 4.361 4.320 -0.001 0.000 0.219 69 A C 1.758 179.511 177.584 0.283 0.000 1.158 69 A CA 1.316 53.443 52.037 0.149 0.000 0.661 69 A CB -0.543 18.500 19.000 0.072 0.000 0.801 69 A HN 0.609 nan 8.150 nan 0.000 0.452 70 F N 0.222 120.252 119.950 0.133 0.000 2.765 70 F HA 0.201 4.727 4.527 -0.001 0.000 0.302 70 F C 0.710 176.584 175.800 0.123 0.000 1.111 70 F CA -0.248 57.856 58.000 0.174 0.000 1.359 70 F CB 0.145 39.233 39.000 0.145 0.000 1.097 70 F HN 0.091 nan 8.300 nan 0.000 0.577 71 Q N 1.640 121.471 119.800 0.052 0.000 2.361 71 Q HA 0.028 4.367 4.340 -0.001 0.000 0.276 71 Q C -0.194 175.740 176.000 -0.110 0.000 1.022 71 Q CA -0.133 55.655 55.803 -0.025 0.000 0.898 71 Q CB 0.775 29.531 28.738 0.030 0.000 1.246 71 Q HN 0.227 nan 8.270 nan 0.000 0.410 72 L N 1.595 122.742 121.223 -0.126 0.000 2.578 72 L HA 0.082 4.421 4.340 -0.001 0.000 0.279 72 L C 1.306 178.138 176.870 -0.062 0.000 1.227 72 L CA 2.257 57.026 54.840 -0.118 0.000 0.900 72 L CB 0.041 42.053 42.059 -0.078 0.000 1.144 72 L HN 0.939 nan 8.230 nan 0.000 0.496 73 G N 1.826 110.591 108.800 -0.058 0.000 2.195 73 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.246 73 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.246 73 G C 0.363 175.258 174.900 -0.007 0.000 0.984 73 G CA 0.350 45.434 45.100 -0.027 0.000 0.633 73 G HN 1.091 nan 8.290 nan 0.000 0.525 74 S N 0.600 116.301 115.700 0.002 0.000 2.600 74 S HA 0.559 5.028 4.470 -0.001 0.000 0.265 74 S C -0.640 174.004 174.600 0.074 0.000 1.325 74 S CA -0.231 57.998 58.200 0.048 0.000 1.002 74 S CB 1.816 65.065 63.200 0.082 0.000 0.921 74 S HN 0.014 nan 8.310 nan 0.000 0.554 75 P HA -0.098 nan 4.420 nan 0.000 0.215 75 P C 1.269 178.698 177.300 0.215 0.000 1.153 75 P CA 1.178 64.355 63.100 0.129 0.000 0.853 75 P CB -0.100 31.681 31.700 0.136 0.000 0.788 76 W N 0.176 121.505 121.300 0.048 0.000 2.388 76 W HA -0.146 4.514 4.660 -0.001 0.000 0.294 76 W C 1.736 178.286 176.519 0.052 0.000 1.212 76 W CA 0.687 58.081 57.345 0.081 0.000 1.271 76 W CB -0.091 29.446 29.460 0.128 0.000 1.126 76 W HN -0.158 nan 8.180 nan 0.000 0.535 77 R N 0.370 120.887 120.500 0.027 0.000 2.090 77 R HA -0.054 4.286 4.340 -0.001 0.000 0.228 77 R C 2.070 178.289 176.300 -0.135 0.000 1.110 77 R CA 1.048 57.057 56.100 -0.152 0.000 0.973 77 R CB -0.696 29.494 30.300 -0.183 0.000 0.869 77 R HN 0.321 nan 8.270 nan 0.000 0.440 78 R N -0.254 120.205 120.500 -0.068 0.000 2.200 78 R HA 0.157 4.497 4.340 -0.001 0.000 0.208 78 R C 1.114 177.374 176.300 -0.067 0.000 1.033 78 R CA -0.170 55.895 56.100 -0.059 0.000 1.000 78 R CB -0.046 30.236 30.300 -0.031 0.000 0.906 78 R HN 0.108 nan 8.270 nan 0.000 0.462 79 M N 2.338 121.895 119.600 -0.071 0.000 2.248 79 M HA -0.074 4.406 4.480 -0.001 0.000 0.343 79 M C -0.699 175.552 176.300 -0.082 0.000 1.243 79 M CA 0.478 55.740 55.300 -0.064 0.000 1.025 79 M CB 0.473 33.058 32.600 -0.025 0.000 1.759 79 M HN -0.038 nan 8.290 nan 0.000 0.452 80 D N 4.011 124.390 120.400 -0.035 0.000 2.443 80 D HA 0.075 4.714 4.640 -0.001 0.000 0.239 80 D C 0.825 177.121 176.300 -0.007 0.000 1.136 80 D CA 0.477 54.469 54.000 -0.014 0.000 0.879 80 D CB 1.051 41.860 40.800 0.014 0.000 1.195 80 D HN 0.763 nan 8.370 nan 0.000 0.443 81 A N 2.420 125.228 122.820 -0.021 0.000 1.940 81 A HA -0.227 4.093 4.320 -0.001 0.000 0.219 81 A C 2.133 179.725 177.584 0.015 0.000 1.176 81 A CA 2.217 54.243 52.037 -0.020 0.000 0.631 81 A CB -0.616 18.390 19.000 0.010 0.000 0.814 81 A HN 0.604 nan 8.150 nan 0.000 0.446 82 S N -1.106 114.614 115.700 0.034 0.000 2.399 82 S HA -0.266 4.204 4.470 -0.001 0.000 0.231 82 S C 1.845 176.471 174.600 0.043 0.000 1.022 82 S CA 1.670 59.892 58.200 0.037 0.000 0.983 82 S CB -0.717 62.507 63.200 0.040 0.000 0.803 82 S HN 0.744 nan 8.310 nan 0.000 0.480 83 H N 1.209 120.264 119.070 -0.025 0.000 2.428 83 H HA 0.256 4.811 4.556 -0.001 0.000 0.296 83 H C 2.356 177.671 175.328 -0.023 0.000 1.062 83 H CA 1.434 57.467 56.048 -0.026 0.000 1.350 83 H CB -0.140 29.603 29.762 -0.032 0.000 1.403 83 H HN 0.338 nan 8.280 nan 0.000 0.533 84 R N -0.719 119.770 120.500 -0.018 0.000 2.096 84 R HA -0.082 4.258 4.340 -0.001 0.000 0.235 84 R C 2.456 178.775 176.300 0.033 0.000 1.127 84 R CA 1.214 57.319 56.100 0.009 0.000 0.968 84 R CB -0.421 29.851 30.300 -0.046 0.000 0.861 84 R HN 0.474 nan 8.270 nan 0.000 0.440 85 G N 0.304 109.109 108.800 0.008 0.000 2.402 85 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.216 85 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.216 85 G C 1.274 176.155 174.900 -0.031 0.000 1.162 85 G CA 0.195 45.309 45.100 0.023 0.000 0.777 85 G HN 0.142 nan 8.290 nan 0.000 0.539 86 R N 0.272 120.694 120.500 -0.130 0.000 2.091 86 R HA 0.053 4.392 4.340 -0.001 0.000 0.238 86 R C 2.614 178.786 176.300 -0.213 0.000 1.136 86 R CA 0.628 56.615 56.100 -0.188 0.000 0.959 86 R CB -1.077 29.030 30.300 -0.321 0.000 0.856 86 R HN 0.405 nan 8.270 nan 0.000 0.437 87 L N 0.335 121.364 121.223 -0.323 0.000 2.056 87 L HA -0.128 4.212 4.340 -0.001 0.000 0.207 87 L C 2.495 179.340 176.870 -0.042 0.000 1.078 87 L CA 0.973 55.576 54.840 -0.394 0.000 0.749 87 L CB -0.473 41.040 42.059 -0.910 0.000 0.901 87 L HN 0.105 nan 8.230 nan 0.000 0.433 88 L N -0.350 120.966 121.223 0.156 0.000 2.046 88 L HA -0.205 4.134 4.340 -0.001 0.000 0.208 88 L C 2.408 179.382 176.870 0.174 0.000 1.077 88 L CA 1.009 56.027 54.840 0.296 0.000 0.747 88 L CB -0.555 41.667 42.059 0.272 0.000 0.896 88 L HN 0.348 nan 8.230 nan 0.000 0.432 89 N N -0.053 118.702 118.700 0.092 0.000 2.166 89 N HA -0.201 4.538 4.740 -0.001 0.000 0.186 89 N C 1.957 177.505 175.510 0.063 0.000 1.019 89 N CA 0.999 54.089 53.050 0.066 0.000 0.856 89 N CB -0.183 38.321 38.487 0.029 0.000 0.993 89 N HN 0.164 nan 8.380 nan 0.000 0.426 90 R N 1.265 121.791 120.500 0.043 0.000 2.075 90 R HA -0.015 4.325 4.340 -0.001 0.000 0.232 90 R C 2.048 178.405 176.300 0.095 0.000 1.126 90 R CA 0.802 56.929 56.100 0.044 0.000 0.963 90 R CB -0.982 29.316 30.300 -0.003 0.000 0.858 90 R HN 0.175 nan 8.270 nan 0.000 0.435 91 L N 0.330 121.649 121.223 0.161 0.000 2.042 91 L HA 0.014 4.354 4.340 -0.001 0.000 0.210 91 L C 2.080 179.029 176.870 0.132 0.000 1.076 91 L CA 2.269 57.221 54.840 0.185 0.000 0.749 91 L CB -1.066 41.159 42.059 0.275 0.000 0.893 91 L HN 0.266 nan 8.230 nan 0.000 0.432 92 A N -0.832 122.063 122.820 0.125 0.000 1.902 92 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 92 A C 2.002 179.640 177.584 0.090 0.000 1.181 92 A CA 1.829 53.929 52.037 0.106 0.000 0.623 92 A CB -0.859 18.203 19.000 0.103 0.000 0.818 92 A HN 0.529 nan 8.150 nan 0.000 0.443 93 D N 0.089 120.538 120.400 0.082 0.000 2.149 93 D HA -0.121 4.519 4.640 -0.001 0.000 0.198 93 D C 1.914 178.263 176.300 0.082 0.000 0.990 93 D CA 1.068 55.112 54.000 0.072 0.000 0.839 93 D CB -0.307 40.529 40.800 0.059 0.000 0.948 93 D HN 0.477 nan 8.370 nan 0.000 0.460 94 L N 0.195 121.472 121.223 0.090 0.000 2.109 94 L HA -0.056 4.284 4.340 -0.001 0.000 0.207 94 L C 2.476 179.424 176.870 0.130 0.000 1.086 94 L CA 0.534 55.434 54.840 0.099 0.000 0.760 94 L CB -0.211 41.901 42.059 0.088 0.000 0.910 94 L HN 0.004 nan 8.230 nan 0.000 0.437 95 I N -0.098 120.548 120.570 0.128 0.000 2.315 95 I HA -0.275 3.895 4.170 -0.001 0.000 0.248 95 I C 2.590 178.785 176.117 0.129 0.000 1.117 95 I CA 1.241 62.630 61.300 0.148 0.000 1.404 95 I CB -0.134 37.938 38.000 0.121 0.000 1.071 95 I HN 0.327 nan 8.210 nan 0.000 0.419 96 E N 1.234 121.493 120.200 0.098 0.000 2.106 96 E HA -0.258 4.091 4.350 -0.001 0.000 0.192 96 E C 2.395 179.059 176.600 0.107 0.000 0.984 96 E CA 0.854 57.302 56.400 0.079 0.000 0.806 96 E CB -0.011 29.726 29.700 0.062 0.000 0.750 96 E HN 0.258 nan 8.360 nan 0.000 0.458 97 R N 0.343 120.911 120.500 0.114 0.000 2.091 97 R HA -0.138 4.201 4.340 -0.001 0.000 0.238 97 R C 0.366 176.759 176.300 0.155 0.000 1.136 97 R CA 1.817 57.989 56.100 0.120 0.000 0.959 97 R CB 0.004 30.367 30.300 0.104 0.000 0.856 97 R HN 0.126 nan 8.270 nan 0.000 0.437 98 D N -0.173 120.345 120.400 0.196 0.000 2.491 98 D HA 0.032 4.672 4.640 -0.001 0.000 0.228 98 D C 1.084 177.547 176.300 0.271 0.000 1.183 98 D CA -0.037 54.120 54.000 0.261 0.000 0.827 98 D CB 0.216 41.243 40.800 0.378 0.000 0.989 98 D HN 0.236 nan 8.370 nan 0.000 0.494 99 R N 0.303 120.932 120.500 0.215 0.000 2.083 99 R HA -0.132 4.208 4.340 -0.001 0.000 0.237 99 R C 1.436 177.917 176.300 0.301 0.000 1.137 99 R CA 1.586 57.794 56.100 0.180 0.000 0.951 99 R CB -0.056 30.290 30.300 0.077 0.000 0.851 99 R HN 0.002 nan 8.270 nan 0.000 0.434 100 T N 0.097 114.896 114.554 0.409 0.000 2.746 100 T HA -0.213 4.137 4.350 -0.001 0.000 0.267 100 T C 1.381 176.313 174.700 0.386 0.000 1.039 100 T CA 1.636 64.018 62.100 0.471 0.000 1.142 100 T CB -0.510 68.566 68.868 0.346 0.000 0.866 100 T HN 0.400 nan 8.240 nan 0.000 0.444 101 Y N 1.702 122.112 120.300 0.182 0.000 2.114 101 Y HA -0.042 4.508 4.550 -0.001 0.000 0.284 101 Y C 2.029 177.976 175.900 0.078 0.000 1.143 101 Y CA 1.056 59.209 58.100 0.089 0.000 1.135 101 Y CB -0.623 37.837 38.460 -0.001 0.000 0.980 101 Y HN 0.104 nan 8.280 nan 0.000 0.499 102 L N -0.182 121.012 121.223 -0.048 0.000 2.083 102 L HA -0.222 4.117 4.340 -0.001 0.000 0.209 102 L C 2.775 179.621 176.870 -0.040 0.000 1.083 102 L CA 1.180 55.947 54.840 -0.120 0.000 0.752 102 L CB -0.921 41.187 42.059 0.082 0.000 0.899 102 L HN 0.379 nan 8.230 nan 0.000 0.433 103 A N -0.118 122.768 122.820 0.110 0.000 1.902 103 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 103 A C 2.512 180.268 177.584 0.287 0.000 1.181 103 A CA 1.744 53.885 52.037 0.172 0.000 0.623 103 A CB -0.685 18.446 19.000 0.219 0.000 0.818 103 A HN 0.407 nan 8.150 nan 0.000 0.443 104 A N -0.680 122.359 122.820 0.365 0.000 1.898 104 A HA 0.006 4.325 4.320 -0.001 0.000 0.216 104 A C 2.113 179.785 177.584 0.146 0.000 1.181 104 A CA 1.671 53.925 52.037 0.362 0.000 0.620 104 A CB -0.583 18.517 19.000 0.165 0.000 0.819 104 A HN 0.635 nan 8.150 nan 0.000 0.442 105 L N -0.089 121.049 121.223 -0.141 0.000 2.093 105 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 105 L C 2.203 179.023 176.870 -0.084 0.000 1.085 105 L CA 2.612 57.330 54.840 -0.202 0.000 0.755 105 L CB -0.624 41.154 42.059 -0.468 0.000 0.904 105 L HN 0.514 nan 8.230 nan 0.000 0.435 106 E N -1.013 119.152 120.200 -0.059 0.000 2.051 106 E HA -0.198 4.152 4.350 -0.001 0.000 0.192 106 E C 2.034 178.599 176.600 -0.060 0.000 0.991 106 E CA 2.092 58.467 56.400 -0.042 0.000 0.799 106 E CB -0.363 29.321 29.700 -0.027 0.000 0.748 106 E HN 0.476 nan 8.360 nan 0.000 0.449 107 T N 0.769 115.284 114.554 -0.064 0.000 2.746 107 T HA -0.159 4.190 4.350 -0.001 0.000 0.267 107 T C 1.734 176.329 174.700 -0.176 0.000 1.039 107 T CA 1.226 63.210 62.100 -0.193 0.000 1.142 107 T CB -0.388 68.241 68.868 -0.398 0.000 0.866 107 T HN 0.107 nan 8.240 nan 0.000 0.444 108 L N 1.209 122.418 121.223 -0.023 0.000 2.012 108 L HA -0.112 4.228 4.340 -0.001 0.000 0.210 108 L C 2.111 178.972 176.870 -0.014 0.000 1.073 108 L CA 1.895 56.770 54.840 0.059 0.000 0.748 108 L CB -0.417 41.711 42.059 0.115 0.000 0.891 108 L HN 0.104 nan 8.230 nan 0.000 0.431 109 D N -1.668 118.713 120.400 -0.032 0.000 2.213 109 D HA -0.145 4.494 4.640 -0.001 0.000 0.205 109 D C 1.905 178.178 176.300 -0.044 0.000 0.961 109 D CA 0.782 54.763 54.000 -0.031 0.000 0.853 109 D CB 0.016 40.804 40.800 -0.020 0.000 0.967 109 D HN 0.413 nan 8.370 nan 0.000 0.496 110 N N -0.715 117.946 118.700 -0.064 0.000 2.439 110 N HA -0.021 4.719 4.740 -0.001 0.000 0.176 110 N C 1.371 176.805 175.510 -0.127 0.000 1.029 110 N CA 1.628 54.631 53.050 -0.078 0.000 0.886 110 N CB 0.860 39.300 38.487 -0.078 0.000 1.057 110 N HN 0.252 nan 8.380 nan 0.000 0.437 111 G N 1.394 110.101 108.800 -0.155 0.000 2.238 111 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.217 111 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.217 111 G C -0.076 174.705 174.900 -0.198 0.000 0.996 111 G CA 0.349 45.335 45.100 -0.190 0.000 0.632 111 G HN 0.677 nan 8.290 nan 0.000 0.503 112 K N 1.115 121.394 120.400 -0.202 0.000 2.355 112 K HA 0.468 4.788 4.320 -0.001 0.000 0.270 112 K C -2.669 173.825 176.600 -0.177 0.000 1.003 112 K CA -1.254 54.911 56.287 -0.204 0.000 0.957 112 K CB 0.501 32.852 32.500 -0.248 0.000 0.939 112 K HN 0.073 nan 8.250 nan 0.000 0.482 113 P HA -0.124 nan 4.420 nan 0.000 0.264 113 P C -0.344 176.927 177.300 -0.047 0.000 1.183 113 P CA 0.029 63.085 63.100 -0.073 0.000 0.763 113 P CB 0.134 31.826 31.700 -0.013 0.000 0.807 114 Y N 4.601 124.796 120.300 -0.175 0.000 2.207 114 Y HA -0.239 4.311 4.550 -0.001 0.000 0.287 114 Y C 1.825 177.760 175.900 0.058 0.000 1.156 114 Y CA 1.695 59.747 58.100 -0.080 0.000 1.182 114 Y CB -0.832 37.615 38.460 -0.021 0.000 0.979 114 Y HN 0.075 nan 8.280 nan 0.000 0.521 115 V N 0.477 120.374 119.914 -0.027 0.000 2.392 115 V HA -0.340 3.780 4.120 -0.001 0.000 0.249 115 V C 2.337 178.417 176.094 -0.024 0.000 1.059 115 V CA 1.834 64.098 62.300 -0.060 0.000 1.051 115 V CB -0.644 31.215 31.823 0.059 0.000 0.658 115 V HN 0.445 nan 8.190 nan 0.000 0.455 116 I N -0.309 120.268 120.570 0.012 0.000 2.233 116 I HA -0.120 4.050 4.170 -0.001 0.000 0.243 116 I C 2.591 178.727 176.117 0.032 0.000 1.093 116 I CA 1.377 62.721 61.300 0.072 0.000 1.380 116 I CB -1.477 36.577 38.000 0.089 0.000 1.067 116 I HN 0.263 nan 8.210 nan 0.000 0.413 117 S N 0.307 115.985 115.700 -0.038 0.000 2.374 117 S HA -0.248 4.221 4.470 -0.001 0.000 0.227 117 S C 2.036 176.600 174.600 -0.061 0.000 1.037 117 S CA 1.550 59.724 58.200 -0.043 0.000 1.024 117 S CB -0.539 62.635 63.200 -0.044 0.000 0.861 117 S HN 0.457 nan 8.310 nan 0.000 0.456 118 Y N 1.609 121.739 120.300 -0.284 0.000 2.153 118 Y HA 0.034 4.584 4.550 -0.001 0.000 0.289 118 Y C 1.930 177.765 175.900 -0.109 0.000 1.127 118 Y CA 1.368 59.311 58.100 -0.261 0.000 1.131 118 Y CB -0.252 37.903 38.460 -0.509 0.000 0.995 118 Y HN 0.116 nan 8.280 nan 0.000 0.505 119 L N -1.388 119.868 121.223 0.056 0.000 2.240 119 L HA -0.088 4.252 4.340 -0.001 0.000 0.211 119 L C 1.724 178.605 176.870 0.017 0.000 1.106 119 L CA 0.443 55.310 54.840 0.046 0.000 0.793 119 L CB -0.229 41.905 42.059 0.126 0.000 0.927 119 L HN 0.162 nan 8.230 nan 0.000 0.446 120 V N -0.992 118.952 119.914 0.050 0.000 2.784 120 V HA -0.053 4.067 4.120 -0.001 0.000 0.231 120 V C 1.674 177.805 176.094 0.062 0.000 1.128 120 V CA 0.926 63.282 62.300 0.092 0.000 1.178 120 V CB -0.252 31.707 31.823 0.227 0.000 0.943 120 V HN 0.185 nan 8.190 nan 0.000 0.500 121 D N 0.847 121.295 120.400 0.079 0.000 2.103 121 D HA -0.182 4.458 4.640 -0.001 0.000 0.190 121 D C 2.100 178.400 176.300 -0.001 0.000 0.997 121 D CA 1.330 55.361 54.000 0.053 0.000 0.833 121 D CB -0.267 40.572 40.800 0.066 0.000 0.961 121 D HN 0.085 nan 8.370 nan 0.000 0.447 122 L N 0.642 121.838 121.223 -0.046 0.000 2.046 122 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 122 L C 1.999 178.827 176.870 -0.070 0.000 1.077 122 L CA 1.663 56.459 54.840 -0.074 0.000 0.747 122 L CB -1.029 40.934 42.059 -0.161 0.000 0.896 122 L HN 0.101 nan 8.230 nan 0.000 0.432 123 D N -0.477 119.870 120.400 -0.089 0.000 2.117 123 D HA -0.224 4.415 4.640 -0.001 0.000 0.197 123 D C 2.341 178.647 176.300 0.010 0.000 0.987 123 D CA 1.334 55.303 54.000 -0.051 0.000 0.829 123 D CB 0.092 40.865 40.800 -0.045 0.000 0.961 123 D HN 0.187 nan 8.370 nan 0.000 0.460 124 M N -0.612 119.004 119.600 0.026 0.000 2.229 124 M HA -0.106 4.373 4.480 -0.001 0.000 0.264 124 M C 2.178 178.541 176.300 0.105 0.000 1.063 124 M CA 0.590 55.932 55.300 0.069 0.000 1.114 124 M CB 0.042 32.676 32.600 0.055 0.000 1.387 124 M HN -0.005 nan 8.290 nan 0.000 0.420 125 V N 0.959 120.915 119.914 0.070 0.000 2.261 125 V HA -0.265 3.855 4.120 -0.001 0.000 0.246 125 V C 2.301 178.462 176.094 0.112 0.000 1.047 125 V CA 1.700 64.056 62.300 0.093 0.000 1.015 125 V CB -0.600 31.256 31.823 0.054 0.000 0.642 125 V HN 0.451 nan 8.190 nan 0.000 0.446 126 L N -0.554 120.715 121.223 0.076 0.000 2.012 126 L HA -0.242 4.098 4.340 -0.001 0.000 0.210 126 L C 2.582 179.512 176.870 0.101 0.000 1.073 126 L CA 1.862 56.749 54.840 0.079 0.000 0.748 126 L CB -0.664 41.421 42.059 0.044 0.000 0.891 126 L HN 0.289 nan 8.230 nan 0.000 0.431 127 K N -0.897 119.560 120.400 0.095 0.000 2.097 127 K HA -0.188 4.131 4.320 -0.001 0.000 0.205 127 K C 2.300 178.990 176.600 0.149 0.000 1.050 127 K CA 1.499 57.846 56.287 0.102 0.000 0.938 127 K CB -0.399 32.143 32.500 0.070 0.000 0.718 127 K HN 0.398 nan 8.250 nan 0.000 0.442 128 C N 1.085 120.498 119.300 0.188 0.000 2.453 128 C HA -0.032 4.428 4.460 -0.001 0.000 0.277 128 C C 2.388 177.586 174.990 0.347 0.000 1.262 128 C CA 0.538 59.720 59.018 0.272 0.000 1.718 128 C CB -0.884 27.078 27.740 0.370 0.000 2.031 128 C HN 0.391 nan 8.230 nan 0.000 0.480 129 L N 0.350 121.738 121.223 0.275 0.000 2.046 129 L HA -0.094 4.246 4.340 -0.001 0.000 0.208 129 L C 3.014 180.023 176.870 0.231 0.000 1.077 129 L CA 1.657 56.654 54.840 0.261 0.000 0.747 129 L CB -0.694 41.479 42.059 0.191 0.000 0.896 129 L HN 0.338 nan 8.230 nan 0.000 0.432 130 R N -1.337 119.271 120.500 0.179 0.000 2.115 130 R HA -0.179 4.160 4.340 -0.001 0.000 0.230 130 R C 2.242 178.611 176.300 0.115 0.000 1.111 130 R CA 1.260 57.436 56.100 0.128 0.000 0.976 130 R CB -0.380 29.978 30.300 0.096 0.000 0.870 130 R HN 0.278 nan 8.270 nan 0.000 0.445 131 Y N 0.222 120.527 120.300 0.009 0.000 2.133 131 Y HA -0.251 4.299 4.550 -0.001 0.000 0.287 131 Y C 1.667 177.521 175.900 -0.078 0.000 1.134 131 Y CA 1.431 59.472 58.100 -0.098 0.000 1.133 131 Y CB -0.484 37.865 38.460 -0.185 0.000 0.987 131 Y HN -0.018 nan 8.280 nan 0.000 0.502 132 Y N -0.209 120.187 120.300 0.160 0.000 2.352 132 Y HA -0.153 4.397 4.550 -0.001 0.000 0.292 132 Y C 2.605 178.547 175.900 0.071 0.000 1.136 132 Y CA 0.696 58.871 58.100 0.124 0.000 1.227 132 Y CB -0.501 38.077 38.460 0.196 0.000 0.991 132 Y HN 0.290 nan 8.280 nan 0.000 0.545 133 A N 0.223 123.152 122.820 0.181 0.000 1.908 133 A HA -0.194 4.125 4.320 -0.001 0.000 0.218 133 A C 2.518 180.119 177.584 0.028 0.000 1.181 133 A CA 1.855 53.962 52.037 0.117 0.000 0.627 133 A CB -1.479 17.573 19.000 0.086 0.000 0.818 133 A HN 0.475 nan 8.150 nan 0.000 0.445 134 G N -2.379 106.365 108.800 -0.095 0.000 2.448 134 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.219 134 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.219 134 G C 1.342 176.080 174.900 -0.269 0.000 1.127 134 G CA 0.752 45.715 45.100 -0.227 0.000 0.766 134 G HN 0.690 nan 8.290 nan 0.000 0.552 135 W N 0.596 121.797 121.300 -0.166 0.000 2.678 135 W HA 0.295 4.954 4.660 -0.001 0.000 0.256 135 W C 2.757 179.260 176.519 -0.027 0.000 1.280 135 W CA 0.177 57.455 57.345 -0.111 0.000 1.345 135 W CB 0.286 29.699 29.460 -0.079 0.000 1.118 135 W HN 0.253 nan 8.180 nan 0.000 0.629 136 A N 1.157 124.112 122.820 0.224 0.000 1.940 136 A HA -0.296 4.024 4.320 -0.001 0.000 0.221 136 A C 1.306 178.965 177.584 0.125 0.000 1.190 136 A CA 2.441 54.571 52.037 0.155 0.000 0.647 136 A CB -0.847 18.214 19.000 0.101 0.000 0.821 136 A HN 0.366 nan 8.150 nan 0.000 0.457 137 D N -2.424 118.033 120.400 0.095 0.000 2.670 137 D HA 0.243 4.883 4.640 -0.001 0.000 0.255 137 D C 0.455 176.789 176.300 0.056 0.000 1.286 137 D CA -0.074 53.969 54.000 0.073 0.000 0.830 137 D CB 0.082 40.911 40.800 0.047 0.000 1.065 137 D HN 0.481 nan 8.370 nan 0.000 0.486 138 K N -0.750 119.699 120.400 0.080 0.000 2.517 138 K HA 0.047 4.367 4.320 -0.001 0.000 0.210 138 K C -0.411 176.093 176.600 -0.160 0.000 1.166 138 K CA -0.457 55.776 56.287 -0.090 0.000 1.030 138 K CB 0.808 33.282 32.500 -0.044 0.000 0.974 138 K HN -0.032 nan 8.250 nan 0.000 0.585 139 Y N 3.206 123.483 120.300 -0.038 0.000 2.667 139 Y HA 0.126 4.675 4.550 -0.001 0.000 0.340 139 Y C -0.414 175.442 175.900 -0.073 0.000 1.303 139 Y CA -1.114 56.964 58.100 -0.037 0.000 1.769 139 Y CB -1.110 37.358 38.460 0.012 0.000 1.804 139 Y HN 0.078 nan 8.280 nan 0.000 0.451 140 H N 0.629 119.662 119.070 -0.061 0.000 2.871 140 H HA 0.302 4.857 4.556 -0.001 0.000 0.355 140 H C 1.006 175.940 175.328 -0.658 0.000 1.092 140 H CA 0.429 56.336 56.048 -0.234 0.000 1.420 140 H CB 0.725 30.413 29.762 -0.123 0.000 1.400 140 H HN 0.694 nan 8.280 nan 0.000 0.604 141 G N 0.892 109.395 108.800 -0.495 0.000 2.543 141 G HA2 0.453 4.413 3.960 -0.001 0.000 0.267 141 G HA3 0.453 4.413 3.960 -0.001 0.000 0.267 141 G C -0.714 174.027 174.900 -0.266 0.000 1.406 141 G CA -0.857 43.807 45.100 -0.726 0.000 1.048 141 G HN 0.549 nan 8.290 nan 0.000 0.548 142 K N -0.800 119.530 120.400 -0.116 0.000 2.443 142 K HA 0.541 4.861 4.320 -0.001 0.000 0.251 142 K C -1.005 175.632 176.600 0.061 0.000 0.972 142 K CA -0.697 55.576 56.287 -0.023 0.000 0.833 142 K CB 2.200 34.695 32.500 -0.008 0.000 1.317 142 K HN 0.603 nan 8.250 nan 0.000 0.441 143 T N -0.805 113.800 114.554 0.085 0.000 2.770 143 T HA 0.600 4.950 4.350 -0.001 0.000 0.283 143 T C -0.047 174.732 174.700 0.132 0.000 0.988 143 T CA -0.741 61.467 62.100 0.181 0.000 0.957 143 T CB 0.086 69.105 68.868 0.251 0.000 0.930 143 T HN 0.380 nan 8.240 nan 0.000 0.443 144 I N 4.954 125.602 120.570 0.130 0.000 2.404 144 I HA 0.360 4.530 4.170 -0.001 0.000 0.293 144 I C -1.934 174.250 176.117 0.112 0.000 0.992 144 I CA -2.820 58.532 61.300 0.087 0.000 1.149 144 I CB 2.499 40.522 38.000 0.039 0.000 1.315 144 I HN 0.479 nan 8.210 nan 0.000 0.446 145 P HA 0.190 nan 4.420 nan 0.000 0.225 145 P C -0.050 177.300 177.300 0.082 0.000 1.813 145 P CA 0.062 63.217 63.100 0.092 0.000 1.013 145 P CB 0.221 31.960 31.700 0.066 0.000 1.961 146 I N 1.165 121.792 120.570 0.096 0.000 2.938 146 I HA 0.053 4.223 4.170 -0.001 0.000 0.285 146 I C 0.298 176.487 176.117 0.120 0.000 1.182 146 I CA -0.129 61.219 61.300 0.080 0.000 1.388 146 I CB 0.678 38.710 38.000 0.053 0.000 1.390 146 I HN 0.044 nan 8.210 nan 0.000 0.600 147 D N 4.480 124.941 120.400 0.102 0.000 2.382 147 D HA 0.422 5.062 4.640 -0.001 0.000 0.240 147 D C 0.356 176.802 176.300 0.243 0.000 1.146 147 D CA 1.132 55.207 54.000 0.125 0.000 0.897 147 D CB 0.776 41.628 40.800 0.087 0.000 1.197 147 D HN 0.939 nan 8.370 nan 0.000 0.432 148 G N 1.372 110.291 108.800 0.198 0.000 2.796 148 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.571 148 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.571 148 G C -0.777 174.145 174.900 0.037 0.000 1.370 148 G CA -0.736 44.486 45.100 0.203 0.000 0.856 148 G HN 0.511 nan 8.290 nan 0.000 0.538 149 D N 0.978 121.161 120.400 -0.362 0.000 2.608 149 D HA 0.481 5.120 4.640 -0.001 0.000 0.224 149 D C -0.085 175.723 176.300 -0.821 0.000 1.123 149 D CA 1.013 54.732 54.000 -0.469 0.000 1.030 149 D CB -0.497 40.066 40.800 -0.395 0.000 1.093 149 D HN 0.282 nan 8.370 nan 0.000 0.497 150 F N 0.414 120.408 119.950 0.074 0.000 2.626 150 F HA 0.380 4.907 4.527 -0.001 0.000 0.311 150 F C -0.470 175.446 175.800 0.192 0.000 1.088 150 F CA -1.455 56.608 58.000 0.104 0.000 0.949 150 F CB 1.617 40.651 39.000 0.057 0.000 1.322 150 F HN -0.139 nan 8.300 nan 0.000 0.461 151 F N 2.112 122.206 119.950 0.240 0.000 2.427 151 F HA 0.688 5.214 4.527 -0.001 0.000 0.348 151 F C -0.644 175.275 175.800 0.198 0.000 1.125 151 F CA -1.191 56.921 58.000 0.187 0.000 0.989 151 F CB 1.186 40.286 39.000 0.168 0.000 1.165 151 F HN 0.275 nan 8.300 nan 0.000 0.442 152 S N 6.931 122.641 115.700 0.017 0.000 2.502 152 S HA 0.801 5.271 4.470 -0.001 0.000 0.304 152 S C -1.442 173.029 174.600 -0.216 0.000 1.097 152 S CA -0.289 57.778 58.200 -0.222 0.000 1.045 152 S CB 0.649 63.795 63.200 -0.089 0.000 1.019 152 S HN 0.702 nan 8.310 nan 0.000 0.481 153 Y N 0.182 120.240 120.300 -0.404 0.000 2.655 153 Y HA 0.798 5.348 4.550 -0.001 0.000 0.336 153 Y C -0.555 175.243 175.900 -0.170 0.000 1.154 153 Y CA -1.048 56.889 58.100 -0.270 0.000 1.055 153 Y CB 0.878 39.129 38.460 -0.350 0.000 1.295 153 Y HN 0.540 nan 8.280 nan 0.000 0.465 154 T N -0.374 114.231 114.554 0.084 0.000 2.863 154 T HA 0.694 5.043 4.350 -0.001 0.000 0.285 154 T C -0.883 173.907 174.700 0.149 0.000 1.009 154 T CA -1.060 61.066 62.100 0.044 0.000 0.989 154 T CB 1.815 70.721 68.868 0.064 0.000 1.004 154 T HN 0.808 nan 8.240 nan 0.000 0.455 155 R N 1.150 121.738 120.500 0.148 0.000 2.393 155 R HA 0.330 4.670 4.340 -0.001 0.000 0.310 155 R C -0.393 176.058 176.300 0.250 0.000 0.968 155 R CA -0.693 55.510 56.100 0.172 0.000 0.867 155 R CB 1.035 31.428 30.300 0.154 0.000 1.124 155 R HN 0.732 nan 8.270 nan 0.000 0.450 156 H N 2.480 121.585 119.070 0.058 0.000 2.787 156 H HA 0.127 4.682 4.556 -0.001 0.000 0.275 156 H C -0.305 175.086 175.328 0.106 0.000 1.183 156 H CA -0.339 55.750 56.048 0.068 0.000 1.290 156 H CB 0.926 30.712 29.762 0.039 0.000 1.438 156 H HN 0.404 nan 8.280 nan 0.000 0.487 157 E N 4.036 124.352 120.200 0.194 0.000 2.250 157 E HA 0.245 4.594 4.350 -0.001 0.000 0.265 157 E C -2.467 174.246 176.600 0.189 0.000 1.033 157 E CA -2.259 54.244 56.400 0.173 0.000 0.888 157 E CB 1.056 30.845 29.700 0.149 0.000 1.151 157 E HN 0.376 nan 8.360 nan 0.000 0.412 158 P HA -0.051 nan 4.420 nan 0.000 0.275 158 P C 0.548 177.968 177.300 0.201 0.000 1.227 158 P CA -0.029 63.229 63.100 0.263 0.000 0.781 158 P CB 0.815 32.781 31.700 0.442 0.000 0.906 159 V N 2.412 122.383 119.914 0.095 0.000 2.626 159 V HA 0.035 4.155 4.120 -0.001 0.000 0.252 159 V C 1.032 177.064 176.094 -0.104 0.000 1.067 159 V CA 2.729 65.037 62.300 0.013 0.000 1.081 159 V CB -1.150 30.657 31.823 -0.026 0.000 0.686 159 V HN 0.953 nan 8.190 nan 0.000 0.468 160 G N -1.098 107.511 108.800 -0.318 0.000 2.317 160 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.196 160 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.196 160 G C -0.523 173.989 174.900 -0.648 0.000 1.255 160 G CA -0.249 44.312 45.100 -0.898 0.000 1.243 160 G HN 0.554 nan 8.290 nan 0.000 0.535 161 V N 1.112 120.762 119.914 -0.441 0.000 2.415 161 V HA 0.382 4.501 4.120 -0.001 0.000 0.267 161 V C 0.440 176.462 176.094 -0.120 0.000 1.042 161 V CA -0.063 62.100 62.300 -0.228 0.000 1.000 161 V CB 0.157 31.885 31.823 -0.158 0.000 1.015 161 V HN 0.817 nan 8.190 nan 0.000 0.478 162 C N 4.980 124.246 119.300 -0.056 0.000 2.264 162 C HA 0.672 5.132 4.460 -0.001 0.000 0.324 162 C C 1.058 176.066 174.990 0.029 0.000 1.267 162 C CA -0.992 58.043 59.018 0.028 0.000 1.618 162 C CB 0.231 28.074 27.740 0.171 0.000 2.278 162 C HN 0.990 nan 8.230 nan 0.000 0.499 163 G N 3.024 111.841 108.800 0.027 0.000 2.339 163 G HA2 0.508 4.468 3.960 -0.001 0.000 0.287 163 G HA3 0.508 4.468 3.960 -0.001 0.000 0.287 163 G C -0.738 174.210 174.900 0.079 0.000 1.163 163 G CA -0.137 44.985 45.100 0.035 0.000 0.872 163 G HN 0.815 nan 8.290 nan 0.000 0.464 164 Q N 1.794 121.643 119.800 0.082 0.000 2.309 164 Q HA 0.394 4.734 4.340 -0.001 0.000 0.270 164 Q C -0.735 175.328 176.000 0.105 0.000 1.023 164 Q CA -0.396 55.471 55.803 0.107 0.000 0.758 164 Q CB 2.576 31.370 28.738 0.093 0.000 1.247 164 Q HN 0.523 nan 8.270 nan 0.000 0.455 165 I N 4.991 125.651 120.570 0.151 0.000 2.330 165 I HA 0.438 4.608 4.170 -0.001 0.000 0.289 165 I C -0.065 176.089 176.117 0.061 0.000 1.001 165 I CA -0.723 60.680 61.300 0.172 0.000 1.193 165 I CB 0.753 38.967 38.000 0.357 0.000 1.345 165 I HN 0.526 nan 8.210 nan 0.000 0.461 166 I N 5.579 126.158 120.570 0.016 0.000 2.846 166 I HA 0.757 4.926 4.170 -0.001 0.000 0.307 166 I C -2.677 173.388 176.117 -0.087 0.000 1.053 166 I CA -2.229 59.027 61.300 -0.073 0.000 1.050 166 I CB 2.216 40.192 38.000 -0.039 0.000 1.239 166 I HN 0.224 nan 8.210 nan 0.000 0.439 167 P HA 0.176 nan 4.420 nan 0.000 0.306 167 P C -0.208 176.995 177.300 -0.162 0.000 1.309 167 P CA -0.203 62.736 63.100 -0.269 0.000 0.759 167 P CB 0.675 32.071 31.700 -0.507 0.000 1.314 168 W N 0.168 121.461 121.300 -0.013 0.000 3.220 168 W HA 0.073 4.733 4.660 -0.001 0.000 0.328 168 W C 0.859 177.321 176.519 -0.096 0.000 1.205 168 W CA 0.096 57.420 57.345 -0.036 0.000 1.773 168 W CB -1.448 28.000 29.460 -0.020 0.000 1.086 168 W HN 0.207 nan 8.180 nan 0.000 0.622 169 N N 2.091 120.596 118.700 -0.326 0.000 2.216 169 N HA -0.163 4.576 4.740 -0.001 0.000 0.183 169 N C -0.138 174.944 175.510 -0.714 0.000 1.017 169 N CA 0.836 53.644 53.050 -0.404 0.000 0.861 169 N CB -1.096 37.061 38.487 -0.549 0.000 0.986 169 N HN 0.088 nan 8.380 nan 0.000 0.428 170 F N -0.339 119.485 119.950 -0.211 0.000 2.710 170 F HA 0.434 4.961 4.527 -0.001 0.000 0.345 170 F C -1.849 173.824 175.800 -0.211 0.000 1.362 170 F CA -2.064 55.791 58.000 -0.241 0.000 1.175 170 F CB 2.120 40.887 39.000 -0.389 0.000 1.561 170 F HN -0.173 nan 8.300 nan 0.000 0.593 171 P HA -0.219 nan 4.420 nan 0.000 0.214 171 P C 1.920 179.212 177.300 -0.014 0.000 1.169 171 P CA 1.728 64.826 63.100 -0.004 0.000 0.908 171 P CB 0.405 32.116 31.700 0.019 0.000 0.791 172 L N -2.003 119.216 121.223 -0.008 0.000 2.056 172 L HA -0.154 4.185 4.340 -0.001 0.000 0.207 172 L C 2.427 179.269 176.870 -0.047 0.000 1.078 172 L CA 0.941 55.778 54.840 -0.005 0.000 0.749 172 L CB -0.945 41.123 42.059 0.016 0.000 0.901 172 L HN -0.010 nan 8.230 nan 0.000 0.433 173 L N -0.664 120.495 121.223 -0.107 0.000 2.046 173 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 173 L C 2.463 179.054 176.870 -0.465 0.000 1.077 173 L CA 1.797 56.465 54.840 -0.286 0.000 0.747 173 L CB -0.430 41.362 42.059 -0.446 0.000 0.896 173 L HN 0.180 nan 8.230 nan 0.000 0.432 174 M N -1.145 118.231 119.600 -0.374 0.000 2.175 174 M HA -0.225 4.254 4.480 -0.001 0.000 0.264 174 M C 2.242 178.502 176.300 -0.066 0.000 1.063 174 M CA 1.653 56.782 55.300 -0.286 0.000 1.119 174 M CB -0.965 31.523 32.600 -0.186 0.000 1.377 174 M HN 0.503 nan 8.290 nan 0.000 0.415 175 Q N 0.286 120.059 119.800 -0.045 0.000 2.084 175 Q HA -0.132 4.208 4.340 -0.001 0.000 0.202 175 Q C 2.003 178.023 176.000 0.033 0.000 0.978 175 Q CA 1.889 57.691 55.803 -0.001 0.000 0.844 175 Q CB -0.013 28.721 28.738 -0.006 0.000 0.898 175 Q HN 0.468 nan 8.270 nan 0.000 0.426 176 A N 0.055 122.909 122.820 0.057 0.000 1.898 176 A HA -0.166 4.154 4.320 -0.001 0.000 0.216 176 A C 1.554 179.305 177.584 0.278 0.000 1.181 176 A CA 1.141 53.263 52.037 0.143 0.000 0.620 176 A CB -1.097 18.002 19.000 0.165 0.000 0.819 176 A HN 0.631 nan 8.150 nan 0.000 0.442 177 W N 0.533 121.851 121.300 0.029 0.000 2.350 177 W HA -0.068 4.591 4.660 -0.001 0.000 0.289 177 W C 2.102 178.615 176.519 -0.011 0.000 1.215 177 W CA 1.357 58.732 57.345 0.049 0.000 1.236 177 W CB -0.255 29.226 29.460 0.036 0.000 1.130 177 W HN 0.233 nan 8.180 nan 0.000 0.541 178 K N -0.313 120.204 120.400 0.195 0.000 2.067 178 K HA 0.064 4.384 4.320 -0.001 0.000 0.203 178 K C 2.086 178.614 176.600 -0.119 0.000 1.048 178 K CA 0.754 57.074 56.287 0.055 0.000 0.954 178 K CB -0.979 31.567 32.500 0.076 0.000 0.737 178 K HN 0.214 nan 8.250 nan 0.000 0.444 179 L N 0.312 121.488 121.223 -0.079 0.000 2.056 179 L HA -0.081 4.259 4.340 -0.001 0.000 0.207 179 L C 2.494 179.266 176.870 -0.163 0.000 1.078 179 L CA 1.344 56.100 54.840 -0.140 0.000 0.749 179 L CB -1.051 40.940 42.059 -0.113 0.000 0.901 179 L HN 0.261 nan 8.230 nan 0.000 0.433 180 G N 1.273 110.017 108.800 -0.094 0.000 2.545 180 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.217 180 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.217 180 G C -0.483 174.151 174.900 -0.443 0.000 1.218 180 G CA 1.104 46.159 45.100 -0.075 0.000 0.787 180 G HN 0.321 nan 8.290 nan 0.000 0.571 181 P HA 0.009 nan 4.420 nan 0.000 0.217 181 P C 2.049 178.928 177.300 -0.702 0.000 1.151 181 P CA 1.924 64.412 63.100 -1.021 0.000 0.828 181 P CB -0.129 30.984 31.700 -0.979 0.000 0.788 182 A N 0.559 122.840 122.820 -0.898 0.000 1.877 182 A HA -0.130 4.189 4.320 -0.001 0.000 0.216 182 A C 2.457 179.938 177.584 -0.171 0.000 1.186 182 A CA 1.540 53.118 52.037 -0.764 0.000 0.620 182 A CB -1.602 16.986 19.000 -0.687 0.000 0.822 182 A HN 0.127 nan 8.150 nan 0.000 0.443 183 L N -0.976 120.217 121.223 -0.049 0.000 2.109 183 L HA -0.088 4.252 4.340 -0.001 0.000 0.207 183 L C 3.038 180.079 176.870 0.284 0.000 1.086 183 L CA 0.795 55.805 54.840 0.283 0.000 0.760 183 L CB -0.579 41.645 42.059 0.274 0.000 0.910 183 L HN 0.421 nan 8.230 nan 0.000 0.437 184 A N 0.342 123.235 122.820 0.122 0.000 1.978 184 A HA -0.199 4.121 4.320 -0.001 0.000 0.220 184 A C 2.203 179.841 177.584 0.090 0.000 1.170 184 A CA 2.223 54.341 52.037 0.134 0.000 0.636 184 A CB -0.850 18.243 19.000 0.155 0.000 0.810 184 A HN 0.512 nan 8.150 nan 0.000 0.448 185 T N -4.408 110.175 114.554 0.049 0.000 3.122 185 T HA 0.431 4.780 4.350 -0.001 0.000 0.250 185 T C 1.213 175.973 174.700 0.100 0.000 1.067 185 T CA 0.912 63.054 62.100 0.071 0.000 0.966 185 T CB 0.067 68.969 68.868 0.056 0.000 1.002 185 T HN 1.677 nan 8.240 nan 0.000 0.542 186 G N 1.622 110.480 108.800 0.097 0.000 2.136 186 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.242 186 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.242 186 G C 0.004 175.167 174.900 0.438 0.000 0.989 186 G CA -0.226 44.890 45.100 0.028 0.000 0.682 186 G HN 0.585 nan 8.290 nan 0.000 0.522 187 N N -0.609 118.361 118.700 0.449 0.000 2.379 187 N HA 0.592 5.331 4.740 -0.001 0.000 0.260 187 N C 0.488 176.266 175.510 0.446 0.000 1.254 187 N CA 0.531 53.794 53.050 0.355 0.000 0.958 187 N CB 1.739 40.326 38.487 0.167 0.000 1.208 187 N HN 0.717 nan 8.380 nan 0.000 0.532 188 V N -2.138 117.867 119.914 0.151 0.000 2.864 188 V HA 0.723 4.843 4.120 -0.001 0.000 0.314 188 V C -0.198 175.874 176.094 -0.037 0.000 1.073 188 V CA -0.766 61.557 62.300 0.038 0.000 0.956 188 V CB 1.662 33.517 31.823 0.053 0.000 1.023 188 V HN 0.242 nan 8.190 nan 0.000 0.435 189 V N 2.846 122.716 119.914 -0.073 0.000 2.735 189 V HA 0.618 4.738 4.120 -0.001 0.000 0.310 189 V C -0.503 175.557 176.094 -0.056 0.000 1.061 189 V CA -0.557 61.707 62.300 -0.059 0.000 0.913 189 V CB 2.138 33.915 31.823 -0.076 0.000 1.005 189 V HN 0.792 nan 8.190 nan 0.000 0.428 190 V N 5.243 125.135 119.914 -0.037 0.000 2.357 190 V HA 0.438 4.558 4.120 -0.001 0.000 0.281 190 V C -0.209 175.885 176.094 -0.000 0.000 1.015 190 V CA -0.217 62.065 62.300 -0.031 0.000 0.827 190 V CB 1.353 33.142 31.823 -0.057 0.000 1.018 190 V HN 0.898 nan 8.190 nan 0.000 0.432 191 M N 5.051 124.656 119.600 0.009 0.000 2.238 191 M HA 0.556 5.036 4.480 -0.001 0.000 0.350 191 M C -0.501 175.826 176.300 0.045 0.000 1.138 191 M CA -0.479 54.837 55.300 0.027 0.000 1.040 191 M CB 1.122 33.728 32.600 0.009 0.000 1.639 191 M HN 0.343 nan 8.290 nan 0.000 0.451 192 K N 5.811 126.247 120.400 0.060 0.000 2.404 192 K HA 0.326 4.646 4.320 -0.001 0.000 0.257 192 K C -1.081 175.561 176.600 0.071 0.000 1.026 192 K CA -0.353 55.975 56.287 0.068 0.000 0.951 192 K CB 0.515 33.061 32.500 0.077 0.000 1.203 192 K HN 0.702 nan 8.250 nan 0.000 0.446 193 V N 0.957 120.915 119.914 0.073 0.000 3.003 193 V HA 0.555 4.674 4.120 -0.001 0.000 0.305 193 V C 0.549 176.694 176.094 0.085 0.000 1.078 193 V CA -0.998 61.348 62.300 0.077 0.000 1.083 193 V CB 0.843 32.719 31.823 0.088 0.000 1.039 193 V HN 0.671 nan 8.190 nan 0.000 0.481 194 A N 2.763 125.646 122.820 0.106 0.000 2.477 194 A HA 0.294 4.614 4.320 -0.001 0.000 0.246 194 A C 1.329 178.987 177.584 0.123 0.000 1.078 194 A CA 0.253 52.378 52.037 0.145 0.000 0.770 194 A CB 0.062 19.213 19.000 0.252 0.000 1.011 194 A HN 1.128 nan 8.150 nan 0.000 0.494 195 E N 2.222 122.444 120.200 0.036 0.000 2.204 195 E HA -0.269 4.080 4.350 -0.001 0.000 0.195 195 E C 1.049 177.740 176.600 0.152 0.000 0.990 195 E CA 1.703 58.061 56.400 -0.071 0.000 0.821 195 E CB -0.270 29.145 29.700 -0.474 0.000 0.750 195 E HN 0.823 nan 8.360 nan 0.000 0.477 196 Q N 0.772 120.641 119.800 0.115 0.000 2.230 196 Q HA -0.003 4.337 4.340 -0.001 0.000 0.202 196 Q C 0.708 176.759 176.000 0.085 0.000 0.963 196 Q CA 1.715 57.550 55.803 0.053 0.000 0.866 196 Q CB 0.342 28.995 28.738 -0.141 0.000 0.931 196 Q HN 0.467 nan 8.270 nan 0.000 0.452 197 T N -3.477 111.160 114.554 0.140 0.000 3.583 197 T HA 0.301 4.651 4.350 -0.001 0.000 0.266 197 T C -2.477 172.290 174.700 0.111 0.000 1.296 197 T CA -1.346 60.820 62.100 0.111 0.000 1.668 197 T CB 1.196 70.139 68.868 0.125 0.000 0.832 197 T HN -0.046 nan 8.240 nan 0.000 0.649 198 P HA 0.225 nan 4.420 nan 0.000 0.245 198 P C 1.604 178.957 177.300 0.088 0.000 1.199 198 P CA -0.142 63.031 63.100 0.121 0.000 0.807 198 P CB 0.377 32.183 31.700 0.176 0.000 1.002 199 L N 0.628 121.883 121.223 0.053 0.000 1.989 199 L HA -0.156 4.183 4.340 -0.001 0.000 0.211 199 L C 2.795 179.720 176.870 0.091 0.000 1.071 199 L CA 2.726 57.593 54.840 0.046 0.000 0.749 199 L CB -2.183 39.874 42.059 -0.003 0.000 0.890 199 L HN 0.097 nan 8.230 nan 0.000 0.431 200 T N -2.079 112.516 114.554 0.069 0.000 2.788 200 T HA -0.137 4.213 4.350 -0.001 0.000 0.268 200 T C 1.951 176.738 174.700 0.146 0.000 1.044 200 T CA 1.008 63.168 62.100 0.099 0.000 1.139 200 T CB -0.446 68.449 68.868 0.045 0.000 0.867 200 T HN 0.339 nan 8.240 nan 0.000 0.454 201 A N 1.657 124.539 122.820 0.104 0.000 1.930 201 A HA 0.188 4.508 4.320 -0.001 0.000 0.217 201 A C 2.453 180.095 177.584 0.096 0.000 1.175 201 A CA 1.192 53.277 52.037 0.080 0.000 0.627 201 A CB -0.842 18.194 19.000 0.061 0.000 0.815 201 A HN 0.543 nan 8.150 nan 0.000 0.443 202 L N -2.258 119.063 121.223 0.164 0.000 2.056 202 L HA -0.176 4.164 4.340 -0.001 0.000 0.207 202 L C 2.590 179.639 176.870 0.300 0.000 1.078 202 L CA 1.692 56.696 54.840 0.273 0.000 0.749 202 L CB -0.655 41.557 42.059 0.255 0.000 0.901 202 L HN 0.578 nan 8.230 nan 0.000 0.433 203 Y N 0.302 120.697 120.300 0.158 0.000 2.224 203 Y HA -0.205 4.344 4.550 -0.001 0.000 0.289 203 Y C 2.398 178.384 175.900 0.143 0.000 1.146 203 Y CA 1.330 59.549 58.100 0.197 0.000 1.182 203 Y CB -0.196 38.432 38.460 0.279 0.000 0.983 203 Y HN -0.175 nan 8.280 nan 0.000 0.524 204 V N 0.361 120.340 119.914 0.108 0.000 2.490 204 V HA -0.339 3.780 4.120 -0.001 0.000 0.250 204 V C 2.613 178.587 176.094 -0.200 0.000 1.061 204 V CA 1.634 63.919 62.300 -0.025 0.000 1.064 204 V CB -1.435 30.402 31.823 0.023 0.000 0.670 204 V HN 0.585 nan 8.190 nan 0.000 0.461 205 A N 0.103 122.740 122.820 -0.304 0.000 1.933 205 A HA -0.264 4.056 4.320 -0.001 0.000 0.218 205 A C 2.064 179.257 177.584 -0.651 0.000 1.175 205 A CA 2.178 53.729 52.037 -0.810 0.000 0.628 205 A CB -0.709 17.437 19.000 -1.423 0.000 0.814 205 A HN 0.567 nan 8.150 nan 0.000 0.444 206 N N 0.004 118.564 118.700 -0.233 0.000 2.166 206 N HA -0.066 4.673 4.740 -0.001 0.000 0.186 206 N C 1.541 176.980 175.510 -0.118 0.000 1.019 206 N CA 1.274 54.303 53.050 -0.034 0.000 0.856 206 N CB -0.373 38.061 38.487 -0.088 0.000 0.993 206 N HN 0.523 nan 8.380 nan 0.000 0.426 207 L N -0.175 120.919 121.223 -0.214 0.000 2.156 207 L HA -0.033 4.307 4.340 -0.001 0.000 0.208 207 L C 1.985 178.854 176.870 -0.001 0.000 1.095 207 L CA 0.602 55.380 54.840 -0.103 0.000 0.770 207 L CB -0.289 41.721 42.059 -0.082 0.000 0.914 207 L HN 0.167 nan 8.230 nan 0.000 0.439 208 I N 0.160 120.697 120.570 -0.054 0.000 2.226 208 I HA -0.307 3.862 4.170 -0.001 0.000 0.245 208 I C 2.753 178.987 176.117 0.195 0.000 1.100 208 I CA 1.347 62.659 61.300 0.020 0.000 1.374 208 I CB -0.234 37.627 38.000 -0.232 0.000 1.057 208 I HN 0.260 nan 8.210 nan 0.000 0.413 209 K N 1.171 121.661 120.400 0.151 0.000 2.025 209 K HA -0.260 4.060 4.320 -0.001 0.000 0.207 209 K C 2.097 178.779 176.600 0.136 0.000 1.049 209 K CA 1.767 58.169 56.287 0.192 0.000 0.933 209 K CB -0.119 32.518 32.500 0.228 0.000 0.714 209 K HN 0.254 nan 8.250 nan 0.000 0.438 210 E N -0.120 120.138 120.200 0.097 0.000 2.110 210 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 210 E C 1.641 178.290 176.600 0.081 0.000 0.988 210 E CA 0.995 57.436 56.400 0.069 0.000 0.804 210 E CB -0.108 29.613 29.700 0.034 0.000 0.745 210 E HN 0.457 nan 8.360 nan 0.000 0.458 211 A N -0.048 122.847 122.820 0.124 0.000 2.067 211 A HA 0.065 4.385 4.320 -0.001 0.000 0.219 211 A C 1.828 179.433 177.584 0.035 0.000 1.158 211 A CA 1.352 53.456 52.037 0.112 0.000 0.661 211 A CB -0.424 18.714 19.000 0.230 0.000 0.801 211 A HN 0.522 nan 8.150 nan 0.000 0.452 212 G N -2.783 106.067 108.800 0.082 0.000 2.148 212 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.203 212 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.203 212 G C -0.044 174.863 174.900 0.013 0.000 0.993 212 G CA -0.204 44.916 45.100 0.032 0.000 0.661 212 G HN 0.272 nan 8.290 nan 0.000 0.518 213 F N 1.558 121.525 119.950 0.028 0.000 2.529 213 F HA 0.419 4.945 4.527 -0.001 0.000 0.365 213 F C -1.146 174.622 175.800 -0.053 0.000 1.102 213 F CA -1.455 56.523 58.000 -0.036 0.000 1.271 213 F CB 0.492 39.404 39.000 -0.147 0.000 1.120 213 F HN -0.099 nan 8.300 nan 0.000 0.579 214 P HA 0.047 nan 4.420 nan 0.000 0.267 214 P C -2.530 174.761 177.300 -0.015 0.000 1.200 214 P CA -0.800 62.335 63.100 0.059 0.000 0.772 214 P CB 0.056 31.827 31.700 0.117 0.000 0.855 215 P HA 0.042 nan 4.420 nan 0.000 0.265 215 P C 1.001 178.243 177.300 -0.097 0.000 1.193 215 P CA 1.316 64.366 63.100 -0.083 0.000 0.765 215 P CB 0.126 31.782 31.700 -0.073 0.000 0.823 216 G N 1.285 110.000 108.800 -0.142 0.000 2.241 216 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.244 216 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.244 216 G C 1.032 175.847 174.900 -0.142 0.000 0.998 216 G CA 0.256 45.283 45.100 -0.122 0.000 0.621 216 G HN 0.397 nan 8.290 nan 0.000 0.519 217 V N -0.065 119.711 119.914 -0.229 0.000 2.358 217 V HA 0.081 4.200 4.120 -0.001 0.000 0.246 217 V C 1.436 177.349 176.094 -0.303 0.000 1.047 217 V CA 2.005 64.050 62.300 -0.424 0.000 1.035 217 V CB 0.050 31.376 31.823 -0.828 0.000 0.658 217 V HN 0.412 nan 8.190 nan 0.000 0.452 218 V N 1.572 121.361 119.914 -0.208 0.000 2.483 218 V HA 0.480 4.599 4.120 -0.001 0.000 0.297 218 V C -0.821 175.294 176.094 0.035 0.000 1.027 218 V CA -0.771 61.449 62.300 -0.133 0.000 0.855 218 V CB 1.780 33.470 31.823 -0.223 0.000 0.995 218 V HN 0.438 nan 8.190 nan 0.000 0.424 219 N N 5.301 124.012 118.700 0.019 0.000 2.258 219 N HA 0.656 5.396 4.740 -0.001 0.000 0.299 219 N C -1.292 174.264 175.510 0.076 0.000 1.047 219 N CA -0.446 52.650 53.050 0.077 0.000 0.814 219 N CB 3.120 41.585 38.487 -0.038 0.000 1.413 219 N HN 0.480 nan 8.380 nan 0.000 0.478 220 I N 1.443 122.099 120.570 0.143 0.000 2.436 220 I HA 0.328 4.498 4.170 -0.001 0.000 0.289 220 I C -0.504 175.690 176.117 0.129 0.000 1.010 220 I CA -0.988 60.372 61.300 0.100 0.000 1.098 220 I CB 2.194 40.234 38.000 0.066 0.000 1.266 220 I HN 0.059 nan 8.210 nan 0.000 0.434 221 V N 7.871 127.844 119.914 0.099 0.000 2.284 221 V HA 0.303 4.423 4.120 -0.001 0.000 0.274 221 V C -2.110 174.053 176.094 0.115 0.000 1.023 221 V CA -1.564 60.800 62.300 0.106 0.000 0.808 221 V CB 1.160 33.023 31.823 0.066 0.000 1.035 221 V HN 0.562 nan 8.190 nan 0.000 0.445 222 P HA 0.579 nan 4.420 nan 0.000 0.274 222 P C 0.175 177.552 177.300 0.129 0.000 1.231 222 P CA 0.456 63.668 63.100 0.187 0.000 0.790 222 P CB 2.016 33.880 31.700 0.273 0.000 0.951 223 G N 0.607 109.349 108.800 -0.097 0.000 2.343 223 G HA2 0.279 4.239 3.960 -0.001 0.000 0.289 223 G HA3 0.279 4.239 3.960 -0.001 0.000 0.289 223 G C -1.468 173.045 174.900 -0.645 0.000 1.295 223 G CA -0.897 43.933 45.100 -0.450 0.000 0.869 223 G HN 0.258 nan 8.290 nan 0.000 0.522 224 F N 0.319 120.125 119.950 -0.239 0.000 2.368 224 F HA 0.522 5.048 4.527 -0.001 0.000 0.308 224 F C 1.920 177.685 175.800 -0.059 0.000 1.198 224 F CA 0.666 58.562 58.000 -0.175 0.000 1.130 224 F CB 1.072 39.971 39.000 -0.167 0.000 1.300 224 F HN 0.646 nan 8.300 nan 0.000 0.537 225 G N 0.150 109.069 108.800 0.197 0.000 2.424 225 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.214 225 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.214 225 G C -1.059 173.895 174.900 0.090 0.000 1.202 225 G CA 0.425 45.602 45.100 0.129 0.000 0.793 225 G HN 0.458 nan 8.290 nan 0.000 0.534 226 P HA -0.012 nan 4.420 nan 0.000 0.228 226 P C 1.722 179.049 177.300 0.045 0.000 1.151 226 P CA 1.892 65.013 63.100 0.036 0.000 0.770 226 P CB 0.054 31.760 31.700 0.010 0.000 0.786 227 T N -3.573 111.028 114.554 0.079 0.000 3.401 227 T HA 0.263 4.612 4.350 -0.001 0.000 0.225 227 T C 1.947 176.691 174.700 0.073 0.000 0.961 227 T CA 0.586 62.734 62.100 0.080 0.000 1.429 227 T CB -1.144 67.796 68.868 0.120 0.000 1.213 227 T HN -0.108 nan 8.240 nan 0.000 0.440 228 A N 1.757 124.623 122.820 0.077 0.000 1.877 228 A HA 0.244 4.563 4.320 -0.001 0.000 0.216 228 A C 2.642 180.265 177.584 0.064 0.000 1.186 228 A CA 1.971 54.046 52.037 0.064 0.000 0.620 228 A CB -1.765 17.263 19.000 0.047 0.000 0.822 228 A HN 0.696 nan 8.150 nan 0.000 0.443 229 G N -0.470 108.371 108.800 0.069 0.000 2.446 229 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.217 229 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.217 229 G C 1.768 176.697 174.900 0.048 0.000 1.168 229 G CA 1.590 46.734 45.100 0.073 0.000 0.771 229 G HN 0.850 nan 8.290 nan 0.000 0.551 230 A N 1.032 123.873 122.820 0.035 0.000 1.972 230 A HA 0.279 4.598 4.320 -0.001 0.000 0.219 230 A C 2.780 180.382 177.584 0.030 0.000 1.169 230 A CA 2.163 54.209 52.037 0.015 0.000 0.635 230 A CB -0.664 18.340 19.000 0.007 0.000 0.810 230 A HN 0.808 nan 8.150 nan 0.000 0.446 231 A N -0.097 122.753 122.820 0.051 0.000 1.933 231 A HA -0.056 4.263 4.320 -0.001 0.000 0.218 231 A C 2.100 179.754 177.584 0.116 0.000 1.175 231 A CA 1.464 53.546 52.037 0.075 0.000 0.628 231 A CB -0.515 18.537 19.000 0.087 0.000 0.814 231 A HN 0.508 nan 8.150 nan 0.000 0.444 232 I N -0.439 120.184 120.570 0.089 0.000 2.202 232 I HA -0.233 3.936 4.170 -0.001 0.000 0.242 232 I C 2.980 179.144 176.117 0.079 0.000 1.091 232 I CA 1.009 62.359 61.300 0.082 0.000 1.368 232 I CB -0.378 37.655 38.000 0.054 0.000 1.058 232 I HN 0.343 nan 8.210 nan 0.000 0.410 233 A N -0.210 122.637 122.820 0.045 0.000 1.978 233 A HA -0.177 4.142 4.320 -0.001 0.000 0.220 233 A C 2.329 179.925 177.584 0.020 0.000 1.170 233 A CA 2.167 54.214 52.037 0.016 0.000 0.636 233 A CB -0.500 18.483 19.000 -0.027 0.000 0.810 233 A HN 0.404 nan 8.150 nan 0.000 0.448 234 S N -1.262 114.456 115.700 0.029 0.000 2.556 234 S HA 0.084 4.553 4.470 -0.001 0.000 0.216 234 S C 0.581 175.190 174.600 0.016 0.000 0.970 234 S CA -0.554 57.652 58.200 0.010 0.000 0.912 234 S CB -0.231 62.962 63.200 -0.012 0.000 0.790 234 S HN 0.670 nan 8.310 nan 0.000 0.504 235 H N 2.789 121.853 119.070 -0.009 0.000 2.964 235 H HA 0.047 4.602 4.556 -0.001 0.000 0.328 235 H C 0.863 176.186 175.328 -0.007 0.000 1.030 235 H CA 0.633 56.677 56.048 -0.006 0.000 1.445 235 H CB 0.614 30.375 29.762 -0.003 0.000 1.449 235 H HN 0.150 nan 8.280 nan 0.000 0.581 236 E N 3.107 123.238 120.200 -0.114 0.000 2.418 236 E HA -0.122 4.227 4.350 -0.001 0.000 0.197 236 E C 0.636 177.318 176.600 0.136 0.000 1.026 236 E CA 0.757 57.159 56.400 0.004 0.000 0.862 236 E CB 0.219 29.878 29.700 -0.068 0.000 0.799 236 E HN 0.596 nan 8.360 nan 0.000 0.518 237 D N -0.469 120.166 120.400 0.393 0.000 2.479 237 D HA 0.054 4.694 4.640 -0.001 0.000 0.218 237 D C -0.760 175.597 176.300 0.095 0.000 1.177 237 D CA -0.033 54.103 54.000 0.228 0.000 0.830 237 D CB 0.659 41.592 40.800 0.221 0.000 1.014 237 D HN -0.221 nan 8.370 nan 0.000 0.503 238 V N 1.593 121.569 119.914 0.103 0.000 2.383 238 V HA 0.170 4.290 4.120 -0.001 0.000 0.275 238 V C 0.784 176.879 176.094 0.001 0.000 1.036 238 V CA -0.436 61.864 62.300 -0.001 0.000 0.889 238 V CB 1.762 33.589 31.823 0.006 0.000 0.985 238 V HN 0.079 nan 8.190 nan 0.000 0.459 239 D N 2.814 123.191 120.400 -0.037 0.000 2.249 239 D HA 0.046 4.686 4.640 -0.001 0.000 0.205 239 D C 0.775 177.048 176.300 -0.045 0.000 0.962 239 D CA 0.858 54.834 54.000 -0.040 0.000 0.860 239 D CB 0.632 41.389 40.800 -0.071 0.000 0.955 239 D HN 0.352 nan 8.370 nan 0.000 0.505 240 K N 0.725 121.097 120.400 -0.047 0.000 2.542 240 K HA 0.351 4.671 4.320 -0.001 0.000 0.259 240 K C -2.002 174.582 176.600 -0.027 0.000 0.932 240 K CA -0.638 55.614 56.287 -0.059 0.000 0.820 240 K CB 2.977 35.411 32.500 -0.110 0.000 1.345 240 K HN -0.144 nan 8.250 nan 0.000 0.432 241 V N 2.230 122.131 119.914 -0.021 0.000 2.588 241 V HA 0.821 4.941 4.120 -0.001 0.000 0.304 241 V C -1.286 174.833 176.094 0.043 0.000 1.042 241 V CA -0.415 61.901 62.300 0.026 0.000 0.877 241 V CB 1.542 33.384 31.823 0.033 0.000 0.996 241 V HN 0.874 nan 8.190 nan 0.000 0.425 242 A N 6.523 129.403 122.820 0.100 0.000 2.318 242 A HA 0.878 5.197 4.320 -0.001 0.000 0.317 242 A C -1.329 176.388 177.584 0.221 0.000 1.159 242 A CA -0.464 51.654 52.037 0.134 0.000 0.799 242 A CB 1.079 20.176 19.000 0.161 0.000 1.194 242 A HN 1.175 nan 8.150 nan 0.000 0.479 243 F N 1.668 121.650 119.950 0.053 0.000 2.565 243 F HA 0.741 5.268 4.527 -0.001 0.000 0.313 243 F C -0.466 175.375 175.800 0.068 0.000 1.091 243 F CA -0.081 57.951 58.000 0.053 0.000 0.915 243 F CB 2.429 41.449 39.000 0.034 0.000 1.208 243 F HN 0.433 nan 8.300 nan 0.000 0.453 244 T N 4.077 118.068 114.554 -0.938 0.000 2.881 244 T HA 0.775 5.124 4.350 -0.001 0.000 0.291 244 T C -0.260 173.739 174.700 -1.169 0.000 0.990 244 T CA -0.208 61.461 62.100 -0.718 0.000 0.976 244 T CB 1.196 69.905 68.868 -0.265 0.000 0.970 244 T HN 1.154 nan 8.240 nan 0.000 0.438 245 G N 1.972 110.279 108.800 -0.822 0.000 2.452 245 G HA2 0.435 4.395 3.960 -0.001 0.000 0.224 245 G HA3 0.435 4.395 3.960 -0.001 0.000 0.224 245 G C -0.607 174.249 174.900 -0.072 0.000 1.208 245 G CA -0.195 44.620 45.100 -0.474 0.000 0.946 245 G HN 0.981 nan 8.290 nan 0.000 0.481 246 S N -0.330 115.445 115.700 0.124 0.000 2.592 246 S HA 0.458 4.928 4.470 -0.001 0.000 0.271 246 S C 1.315 176.054 174.600 0.231 0.000 1.326 246 S CA 1.023 59.298 58.200 0.125 0.000 1.024 246 S CB 1.362 64.625 63.200 0.104 0.000 0.921 246 S HN 0.811 nan 8.310 nan 0.000 0.527 247 T N 1.231 115.893 114.554 0.181 0.000 2.788 247 T HA -0.145 4.205 4.350 -0.001 0.000 0.268 247 T C 1.647 176.409 174.700 0.104 0.000 1.044 247 T CA 1.715 63.917 62.100 0.170 0.000 1.139 247 T CB -0.521 68.453 68.868 0.176 0.000 0.867 247 T HN 0.873 nan 8.240 nan 0.000 0.454 248 E N 0.540 120.792 120.200 0.086 0.000 2.058 248 E HA -0.162 4.188 4.350 -0.001 0.000 0.194 248 E C 1.933 178.533 176.600 0.000 0.000 0.997 248 E CA 1.156 57.580 56.400 0.040 0.000 0.801 248 E CB -0.062 29.666 29.700 0.046 0.000 0.746 248 E HN 0.306 nan 8.360 nan 0.000 0.450 249 I N 0.934 121.511 120.570 0.012 0.000 2.617 249 I HA -0.059 4.110 4.170 -0.001 0.000 0.256 249 I C 2.507 178.397 176.117 -0.380 0.000 1.167 249 I CA 1.133 62.348 61.300 -0.142 0.000 1.469 249 I CB -1.538 36.427 38.000 -0.057 0.000 1.098 249 I HN 0.237 nan 8.210 nan 0.000 0.436 250 G N 1.004 109.702 108.800 -0.171 0.000 2.442 250 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.219 250 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.219 250 G C 1.912 176.732 174.900 -0.134 0.000 1.141 250 G CA 0.309 45.323 45.100 -0.144 0.000 0.763 250 G HN 0.301 nan 8.290 nan 0.000 0.554 251 R N -0.302 120.151 120.500 -0.079 0.000 2.073 251 R HA -0.025 4.315 4.340 -0.001 0.000 0.234 251 R C 2.708 178.950 176.300 -0.096 0.000 1.134 251 R CA 1.208 57.269 56.100 -0.065 0.000 0.952 251 R CB -0.595 29.681 30.300 -0.040 0.000 0.850 251 R HN 0.305 nan 8.270 nan 0.000 0.433 252 V N 1.638 121.476 119.914 -0.126 0.000 2.332 252 V HA -0.263 3.856 4.120 -0.001 0.000 0.248 252 V C 2.345 178.347 176.094 -0.153 0.000 1.055 252 V CA 1.511 63.735 62.300 -0.127 0.000 1.038 252 V CB -0.436 31.309 31.823 -0.130 0.000 0.651 252 V HN 0.252 nan 8.190 nan 0.000 0.450 253 I N -0.082 120.343 120.570 -0.243 0.000 2.179 253 I HA -0.280 3.889 4.170 -0.001 0.000 0.242 253 I C 2.541 178.584 176.117 -0.124 0.000 1.088 253 I CA 1.905 63.069 61.300 -0.226 0.000 1.357 253 I CB -1.282 36.499 38.000 -0.365 0.000 1.051 253 I HN 0.442 nan 8.210 nan 0.000 0.409 254 Q N 0.608 120.345 119.800 -0.105 0.000 2.124 254 Q HA -0.139 4.201 4.340 -0.001 0.000 0.202 254 Q C 2.317 178.284 176.000 -0.055 0.000 0.977 254 Q CA 1.492 57.257 55.803 -0.063 0.000 0.850 254 Q CB 0.168 28.877 28.738 -0.048 0.000 0.901 254 Q HN 0.316 nan 8.270 nan 0.000 0.429 255 V N 0.638 120.516 119.914 -0.060 0.000 2.358 255 V HA -0.233 3.886 4.120 -0.001 0.000 0.246 255 V C 2.288 178.355 176.094 -0.046 0.000 1.047 255 V CA 1.645 63.916 62.300 -0.048 0.000 1.035 255 V CB -0.918 30.877 31.823 -0.048 0.000 0.658 255 V HN 0.522 nan 8.190 nan 0.000 0.452 256 A N 0.058 122.845 122.820 -0.054 0.000 1.902 256 A HA -0.125 4.194 4.320 -0.001 0.000 0.217 256 A C 2.427 179.991 177.584 -0.034 0.000 1.181 256 A CA 2.098 54.109 52.037 -0.044 0.000 0.623 256 A CB -0.753 18.217 19.000 -0.050 0.000 0.818 256 A HN 0.557 nan 8.150 nan 0.000 0.443 257 A N -0.523 122.275 122.820 -0.037 0.000 1.877 257 A HA 0.122 4.442 4.320 -0.001 0.000 0.216 257 A C 2.417 179.986 177.584 -0.025 0.000 1.186 257 A CA 1.934 53.955 52.037 -0.027 0.000 0.620 257 A CB -1.379 17.603 19.000 -0.030 0.000 0.822 257 A HN 0.747 nan 8.150 nan 0.000 0.443 258 G N -1.104 107.679 108.800 -0.029 0.000 2.422 258 G HA2 -0.054 3.906 3.960 -0.001 0.000 0.218 258 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.218 258 G C 1.628 176.513 174.900 -0.025 0.000 1.140 258 G CA 1.206 46.290 45.100 -0.027 0.000 0.775 258 G HN 0.497 nan 8.290 nan 0.000 0.545 259 S N 0.190 115.874 115.700 -0.026 0.000 2.527 259 S HA 0.046 4.516 4.470 -0.001 0.000 0.222 259 S C 2.256 176.841 174.600 -0.024 0.000 0.985 259 S CA 0.889 59.074 58.200 -0.025 0.000 0.921 259 S CB 0.089 63.273 63.200 -0.027 0.000 0.772 259 S HN 0.627 nan 8.310 nan 0.000 0.529 260 S N 3.169 118.855 115.700 -0.022 0.000 2.965 260 S HA 0.109 4.579 4.470 -0.001 0.000 0.165 260 S C 0.935 175.526 174.600 -0.016 0.000 0.735 260 S CA 0.117 58.304 58.200 -0.021 0.000 0.985 260 S CB -0.522 62.667 63.200 -0.019 0.000 0.675 260 S HN 0.461 nan 8.310 nan 0.000 0.592 261 N N 1.350 120.045 118.700 -0.009 0.000 2.234 261 N HA 0.273 5.013 4.740 -0.001 0.000 0.227 261 N C 0.173 175.679 175.510 -0.006 0.000 1.151 261 N CA -0.147 52.900 53.050 -0.004 0.000 0.865 261 N CB -0.440 38.052 38.487 0.008 0.000 1.066 261 N HN 0.633 nan 8.380 nan 0.000 0.515 262 L N -0.314 120.902 121.223 -0.012 0.000 3.843 262 L HA -0.294 4.045 4.340 -0.001 0.000 0.411 262 L C -0.036 176.823 176.870 -0.018 0.000 1.205 262 L CA 0.610 55.440 54.840 -0.017 0.000 0.945 262 L CB -1.630 40.419 42.059 -0.017 0.000 1.929 262 L HN 0.470 nan 8.230 nan 0.000 0.934 263 K N 0.000 120.391 120.400 -0.015 0.000 2.380 263 K HA 0.383 4.702 4.320 -0.001 0.000 0.267 263 K C 0.350 176.931 176.600 -0.032 0.000 0.990 263 K CA -0.527 55.749 56.287 -0.019 0.000 0.946 263 K CB 0.449 32.943 32.500 -0.010 0.000 0.937 263 K HN 0.022 nan 8.250 nan 0.000 0.491 264 R N 0.880 121.353 120.500 -0.046 0.000 2.543 264 R HA 0.265 4.605 4.340 -0.001 0.000 0.277 264 R C -0.649 175.613 176.300 -0.063 0.000 1.074 264 R CA -0.381 55.682 56.100 -0.061 0.000 1.076 264 R CB 1.041 31.290 30.300 -0.085 0.000 0.993 264 R HN 0.450 nan 8.270 nan 0.000 0.459 265 V N 1.396 121.276 119.914 -0.057 0.000 2.789 265 V HA 0.606 4.726 4.120 -0.001 0.000 0.311 265 V C -0.469 175.602 176.094 -0.037 0.000 1.073 265 V CA -0.844 61.433 62.300 -0.038 0.000 0.921 265 V CB 2.223 34.033 31.823 -0.022 0.000 1.009 265 V HN 0.990 nan 8.190 nan 0.000 0.426 266 T N 2.336 116.882 114.554 -0.014 0.000 2.893 266 T HA 0.872 5.221 4.350 -0.001 0.000 0.293 266 T C -1.091 173.659 174.700 0.083 0.000 1.027 266 T CA -0.702 61.401 62.100 0.004 0.000 0.988 266 T CB 1.686 70.533 68.868 -0.035 0.000 1.043 266 T HN 0.424 nan 8.240 nan 0.000 0.461 267 L N 1.440 122.721 121.223 0.098 0.000 2.422 267 L HA 0.686 5.026 4.340 -0.001 0.000 0.264 267 L C -0.502 176.449 176.870 0.135 0.000 0.984 267 L CA -0.890 54.053 54.840 0.173 0.000 0.819 267 L CB 2.426 44.599 42.059 0.189 0.000 1.330 267 L HN 0.679 nan 8.230 nan 0.000 0.410 268 E N 3.825 124.106 120.200 0.134 0.000 2.235 268 E HA 0.516 4.865 4.350 -0.001 0.000 0.252 268 E C -1.480 175.175 176.600 0.091 0.000 0.886 268 E CA -0.286 56.188 56.400 0.123 0.000 0.767 268 E CB 1.477 31.287 29.700 0.184 0.000 1.205 268 E HN 0.531 nan 8.360 nan 0.000 0.421 269 L N 1.491 122.788 121.223 0.124 0.000 2.693 269 L HA 0.670 5.009 4.340 -0.001 0.000 0.253 269 L C 1.355 178.281 176.870 0.094 0.000 1.155 269 L CA -0.973 53.943 54.840 0.127 0.000 1.026 269 L CB 0.277 42.454 42.059 0.195 0.000 1.817 269 L HN 0.475 nan 8.230 nan 0.000 0.556 270 G N -1.568 107.270 108.800 0.063 0.000 2.504 270 G HA2 0.568 4.528 3.960 -0.001 0.000 0.257 270 G HA3 0.568 4.528 3.960 -0.001 0.000 0.257 270 G C -0.477 174.254 174.900 -0.281 0.000 1.451 270 G CA 0.172 45.218 45.100 -0.091 0.000 1.059 270 G HN 0.856 nan 8.290 nan 0.000 0.550 271 G N -2.215 106.199 108.800 -0.643 0.000 2.550 271 G HA2 0.481 4.441 3.960 -0.001 0.000 0.293 271 G HA3 0.481 4.441 3.960 -0.001 0.000 0.293 271 G C -1.490 173.006 174.900 -0.672 0.000 1.402 271 G CA -0.491 44.161 45.100 -0.746 0.000 0.784 271 G HN 0.594 nan 8.290 nan 0.000 0.482 272 K N 0.567 120.815 120.400 -0.253 0.000 3.262 272 K HA 0.452 4.772 4.320 -0.001 0.000 0.166 272 K C -0.109 176.543 176.600 0.087 0.000 1.091 272 K CA -0.326 55.944 56.287 -0.028 0.000 0.798 272 K CB 0.232 32.822 32.500 0.149 0.000 0.953 272 K HN 0.435 nan 8.250 nan 0.000 0.588 273 S N 3.844 119.607 115.700 0.105 0.000 2.546 273 S HA 0.125 4.595 4.470 -0.001 0.000 0.290 273 S C -2.296 172.441 174.600 0.228 0.000 1.262 273 S CA -0.511 57.803 58.200 0.191 0.000 1.083 273 S CB 0.233 63.614 63.200 0.300 0.000 0.859 273 S HN 0.392 nan 8.310 nan 0.000 0.495 274 P HA 0.259 nan 4.420 nan 0.000 0.290 274 P C -0.947 176.561 177.300 0.347 0.000 1.276 274 P CA -0.702 62.593 63.100 0.326 0.000 0.808 274 P CB 0.675 32.583 31.700 0.347 0.000 0.966 275 N N 3.667 122.565 118.700 0.331 0.000 2.518 275 N HA 0.312 5.052 4.740 -0.001 0.000 0.254 275 N C -0.997 174.690 175.510 0.295 0.000 0.979 275 N CA -0.666 52.587 53.050 0.339 0.000 0.930 275 N CB 0.059 38.641 38.487 0.159 0.000 1.152 275 N HN 0.257 nan 8.380 nan 0.000 0.505 276 I N 4.041 124.793 120.570 0.304 0.000 2.304 276 I HA 0.326 4.495 4.170 -0.001 0.000 0.291 276 I C -0.130 176.167 176.117 0.300 0.000 1.018 276 I CA -0.703 60.734 61.300 0.229 0.000 1.260 276 I CB 0.993 39.014 38.000 0.034 0.000 1.390 276 I HN 0.291 nan 8.210 nan 0.000 0.475 277 I N 7.064 127.791 120.570 0.263 0.000 2.330 277 I HA 0.312 4.481 4.170 -0.001 0.000 0.286 277 I C 0.207 176.510 176.117 0.309 0.000 1.025 277 I CA -0.588 60.842 61.300 0.217 0.000 1.197 277 I CB 0.746 38.668 38.000 -0.129 0.000 1.358 277 I HN 0.478 nan 8.210 nan 0.000 0.467 278 M N 3.712 123.506 119.600 0.323 0.000 2.228 278 M HA 0.136 4.616 4.480 -0.001 0.000 0.326 278 M C 1.704 178.106 176.300 0.170 0.000 1.122 278 M CA -0.018 55.455 55.300 0.288 0.000 1.161 278 M CB 0.580 33.326 32.600 0.243 0.000 1.437 278 M HN 0.666 nan 8.290 nan 0.000 0.465 279 S N 0.387 116.144 115.700 0.096 0.000 2.440 279 S HA -0.162 4.307 4.470 -0.001 0.000 0.238 279 S C 0.814 175.469 174.600 0.091 0.000 1.010 279 S CA 1.407 59.644 58.200 0.062 0.000 0.972 279 S CB -0.548 62.662 63.200 0.016 0.000 0.774 279 S HN 0.750 nan 8.310 nan 0.000 0.501 280 D N 1.610 122.075 120.400 0.108 0.000 2.328 280 D HA 0.369 5.009 4.640 -0.001 0.000 0.221 280 D C 0.607 176.993 176.300 0.144 0.000 1.072 280 D CA 0.172 54.236 54.000 0.107 0.000 0.850 280 D CB -0.349 40.503 40.800 0.086 0.000 0.922 280 D HN 0.521 nan 8.370 nan 0.000 0.516 281 A N 0.538 123.472 122.820 0.191 0.000 2.406 281 A HA 0.147 4.467 4.320 -0.001 0.000 0.243 281 A C 0.333 178.065 177.584 0.246 0.000 1.082 281 A CA -0.334 51.860 52.037 0.263 0.000 0.786 281 A CB 0.200 19.409 19.000 0.349 0.000 1.029 281 A HN 0.187 nan 8.150 nan 0.000 0.495 282 D N 1.705 122.282 120.400 0.295 0.000 2.358 282 D HA 0.099 4.738 4.640 -0.001 0.000 0.258 282 D C 1.012 177.485 176.300 0.289 0.000 1.223 282 D CA -0.198 53.959 54.000 0.261 0.000 0.886 282 D CB 0.636 41.609 40.800 0.289 0.000 1.120 282 D HN 0.467 nan 8.370 nan 0.000 0.482 283 M N 4.335 124.060 119.600 0.209 0.000 2.065 283 M HA -0.191 4.289 4.480 -0.001 0.000 0.259 283 M C 1.097 177.479 176.300 0.136 0.000 1.069 283 M CA 1.714 57.123 55.300 0.181 0.000 1.110 283 M CB -0.322 32.354 32.600 0.127 0.000 1.328 283 M HN 0.315 nan 8.290 nan 0.000 0.405 284 D N -0.723 119.756 120.400 0.131 0.000 2.106 284 D HA -0.253 4.386 4.640 -0.001 0.000 0.191 284 D C 1.804 178.207 176.300 0.172 0.000 0.997 284 D CA 1.645 55.709 54.000 0.107 0.000 0.834 284 D CB -0.782 40.090 40.800 0.120 0.000 0.956 284 D HN 0.656 nan 8.370 nan 0.000 0.448 285 W N 1.575 122.915 121.300 0.067 0.000 2.358 285 W HA -0.183 4.477 4.660 -0.001 0.000 0.303 285 W C 2.113 178.702 176.519 0.115 0.000 1.208 285 W CA 1.604 59.015 57.345 0.110 0.000 1.274 285 W CB -0.092 29.469 29.460 0.168 0.000 1.138 285 W HN -0.012 nan 8.180 nan 0.000 0.515 286 A N 0.271 123.187 122.820 0.161 0.000 1.933 286 A HA -0.170 4.150 4.320 -0.001 0.000 0.218 286 A C 2.043 179.513 177.584 -0.190 0.000 1.175 286 A CA 2.090 54.046 52.037 -0.135 0.000 0.628 286 A CB -1.113 17.981 19.000 0.156 0.000 0.814 286 A HN 0.149 nan 8.150 nan 0.000 0.444 287 V N -0.132 119.676 119.914 -0.177 0.000 2.307 287 V HA -0.214 3.906 4.120 -0.001 0.000 0.245 287 V C 2.615 178.557 176.094 -0.254 0.000 1.045 287 V CA 2.388 64.439 62.300 -0.415 0.000 1.024 287 V CB -0.625 30.921 31.823 -0.463 0.000 0.651 287 V HN 0.697 nan 8.190 nan 0.000 0.449 288 E N -0.030 120.046 120.200 -0.208 0.000 2.077 288 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 288 E C 2.283 178.774 176.600 -0.182 0.000 0.989 288 E CA 1.327 57.627 56.400 -0.167 0.000 0.800 288 E CB -0.249 29.356 29.700 -0.158 0.000 0.746 288 E HN 0.481 nan 8.360 nan 0.000 0.452 289 Q N -0.331 119.223 119.800 -0.410 0.000 2.119 289 Q HA -0.043 4.297 4.340 -0.001 0.000 0.201 289 Q C 2.099 177.983 176.000 -0.193 0.000 0.972 289 Q CA 1.413 56.998 55.803 -0.363 0.000 0.847 289 Q CB -0.391 28.040 28.738 -0.512 0.000 0.903 289 Q HN 0.391 nan 8.270 nan 0.000 0.433 290 A N -0.092 122.586 122.820 -0.236 0.000 1.969 290 A HA -0.201 4.119 4.320 -0.001 0.000 0.218 290 A C 1.889 179.447 177.584 -0.042 0.000 1.169 290 A CA 1.710 53.658 52.037 -0.148 0.000 0.635 290 A CB -0.649 18.396 19.000 0.074 0.000 0.810 290 A HN 0.448 nan 8.150 nan 0.000 0.445 291 H N -1.528 117.528 119.070 -0.023 0.000 2.299 291 H HA -0.129 4.427 4.556 -0.001 0.000 0.302 291 H C 1.702 177.162 175.328 0.220 0.000 1.078 291 H CA 2.180 58.322 56.048 0.157 0.000 1.323 291 H CB -0.409 29.396 29.762 0.072 0.000 1.381 291 H HN 0.448 nan 8.280 nan 0.000 0.498 292 F N 0.835 120.809 119.950 0.039 0.000 2.095 292 F HA -0.177 4.350 4.527 -0.001 0.000 0.298 292 F C 2.534 178.298 175.800 -0.061 0.000 1.104 292 F CA 1.580 59.589 58.000 0.014 0.000 1.232 292 F CB -0.740 38.235 39.000 -0.041 0.000 0.987 292 F HN 0.293 nan 8.300 nan 0.000 0.475 293 A N 0.565 123.286 122.820 -0.164 0.000 1.948 293 A HA -0.199 4.121 4.320 -0.001 0.000 0.220 293 A C 2.225 179.540 177.584 -0.448 0.000 1.177 293 A CA 1.938 53.657 52.037 -0.529 0.000 0.636 293 A CB -0.988 17.330 19.000 -1.136 0.000 0.815 293 A HN 0.548 nan 8.150 nan 0.000 0.449 294 L N -2.122 118.853 121.223 -0.414 0.000 2.189 294 L HA 0.179 4.519 4.340 -0.001 0.000 0.199 294 L C 2.037 178.574 176.870 -0.555 0.000 1.074 294 L CA 1.586 56.120 54.840 -0.509 0.000 0.783 294 L CB -0.882 40.763 42.059 -0.690 0.000 0.955 294 L HN 0.418 nan 8.230 nan 0.000 0.460 295 F N -0.558 119.186 119.950 -0.344 0.000 2.661 295 F HA -0.044 4.482 4.527 -0.001 0.000 0.298 295 F C 1.151 176.799 175.800 -0.253 0.000 1.137 295 F CA -0.199 57.609 58.000 -0.320 0.000 1.454 295 F CB -0.468 38.251 39.000 -0.469 0.000 1.103 295 F HN -0.074 nan 8.300 nan 0.000 0.577 296 F N 2.150 121.898 119.950 -0.335 0.000 2.629 296 F HA -0.051 4.476 4.527 -0.001 0.000 0.377 296 F C 1.215 176.878 175.800 -0.229 0.000 1.101 296 F CA -0.064 57.705 58.000 -0.385 0.000 1.301 296 F CB 0.125 38.641 39.000 -0.807 0.000 1.062 296 F HN 0.099 nan 8.300 nan 0.000 0.583 297 N N 3.453 121.518 118.700 -1.058 0.000 2.738 297 N HA -0.295 4.445 4.740 -0.001 0.000 0.249 297 N C -0.064 175.167 175.510 -0.465 0.000 1.047 297 N CA 1.345 53.876 53.050 -0.866 0.000 0.707 297 N CB -1.013 36.867 38.487 -1.011 0.000 0.937 297 N HN 0.762 nan 8.380 nan 0.000 0.545 298 Q N -2.104 117.527 119.800 -0.282 0.000 2.480 298 Q HA -0.173 4.166 4.340 -0.001 0.000 0.265 298 Q C 1.187 177.091 176.000 -0.159 0.000 1.072 298 Q CA 2.241 57.959 55.803 -0.142 0.000 1.018 298 Q CB -1.866 26.797 28.738 -0.125 0.000 1.433 298 Q HN 1.203 nan 8.270 nan 0.000 0.513 299 G N -1.018 107.644 108.800 -0.229 0.000 2.168 299 G HA2 -0.391 3.569 3.960 -0.001 0.000 0.263 299 G HA3 -0.391 3.569 3.960 -0.001 0.000 0.263 299 G C 0.115 174.719 174.900 -0.494 0.000 0.977 299 G CA 0.457 45.380 45.100 -0.294 0.000 0.659 299 G HN 0.469 nan 8.290 nan 0.000 0.533 300 Q N -0.071 119.378 119.800 -0.586 0.000 3.207 300 Q HA 0.470 4.809 4.340 -0.001 0.000 0.335 300 Q C -0.141 175.248 176.000 -1.018 0.000 1.374 300 Q CA -0.160 54.980 55.803 -1.106 0.000 1.023 300 Q CB 0.365 28.843 28.738 -0.434 0.000 1.576 300 Q HN 0.405 nan 8.270 nan 0.000 0.515 301 C N -0.252 118.566 119.300 -0.803 0.000 2.441 301 C HA 0.197 4.656 4.460 -0.001 0.000 0.318 301 C C 2.020 177.063 174.990 0.089 0.000 1.222 301 C CA -1.149 57.802 59.018 -0.112 0.000 1.474 301 C CB 0.433 28.251 27.740 0.130 0.000 2.125 301 C HN 0.921 nan 8.230 nan 0.000 0.479 302 C N 0.263 119.777 119.300 0.356 0.000 2.413 302 C HA -0.115 4.344 4.460 -0.001 0.000 0.277 302 C C 2.030 177.239 174.990 0.364 0.000 1.265 302 C CA 1.545 60.823 59.018 0.433 0.000 1.752 302 C CB -2.159 25.814 27.740 0.389 0.000 1.998 302 C HN 0.940 nan 8.230 nan 0.000 0.489 303 C N 1.377 120.947 119.300 0.449 0.000 2.525 303 C HA 0.725 5.184 4.460 -0.001 0.000 0.313 303 C C 1.374 176.663 174.990 0.498 0.000 1.311 303 C CA -0.899 58.430 59.018 0.519 0.000 1.725 303 C CB -2.546 25.677 27.740 0.805 0.000 1.926 303 C HN 0.770 nan 8.230 nan 0.000 0.595 304 A N 1.167 124.164 122.820 0.296 0.000 2.565 304 A HA 0.436 4.756 4.320 -0.001 0.000 0.237 304 A C 1.139 178.813 177.584 0.151 0.000 1.053 304 A CA 0.848 52.979 52.037 0.157 0.000 0.755 304 A CB -0.121 18.858 19.000 -0.036 0.000 0.980 304 A HN 1.130 nan 8.150 nan 0.000 0.506 305 G N 1.773 110.551 108.800 -0.036 0.000 2.916 305 G HA2 0.331 4.291 3.960 -0.001 0.000 0.280 305 G HA3 0.331 4.291 3.960 -0.001 0.000 0.280 305 G C 0.925 175.749 174.900 -0.126 0.000 0.758 305 G CA 0.376 45.410 45.100 -0.109 0.000 1.993 305 G HN 1.200 nan 8.290 nan 0.000 0.564 306 S N 0.919 116.588 115.700 -0.051 0.000 2.603 306 S HA 0.162 4.631 4.470 -0.001 0.000 0.220 306 S C 0.970 175.516 174.600 -0.091 0.000 0.967 306 S CA -0.212 57.931 58.200 -0.094 0.000 0.920 306 S CB 0.386 63.540 63.200 -0.077 0.000 0.773 306 S HN 0.421 nan 8.310 nan 0.000 0.529 307 R N 1.544 122.002 120.500 -0.069 0.000 2.545 307 R HA 0.289 4.629 4.340 -0.001 0.000 0.289 307 R C -1.296 174.900 176.300 -0.173 0.000 1.327 307 R CA -0.101 55.892 56.100 -0.179 0.000 1.040 307 R CB 1.419 31.632 30.300 -0.144 0.000 1.176 307 R HN 0.119 nan 8.270 nan 0.000 0.518 308 T N 4.054 118.497 114.554 -0.186 0.000 2.875 308 T HA 0.260 4.610 4.350 -0.001 0.000 0.307 308 T C -0.160 174.470 174.700 -0.116 0.000 1.013 308 T CA -0.042 62.004 62.100 -0.089 0.000 0.970 308 T CB -0.179 68.671 68.868 -0.029 0.000 0.986 308 T HN 0.183 nan 8.240 nan 0.000 0.536 309 F N 2.602 122.576 119.950 0.039 0.000 2.424 309 F HA 0.425 4.952 4.527 -0.001 0.000 0.356 309 F C 0.377 176.323 175.800 0.244 0.000 1.110 309 F CA -0.657 57.431 58.000 0.146 0.000 1.161 309 F CB 0.844 39.834 39.000 -0.017 0.000 1.115 309 F HN 0.174 nan 8.300 nan 0.000 0.507 310 V N 4.018 124.203 119.914 0.451 0.000 2.487 310 V HA 0.234 4.353 4.120 -0.001 0.000 0.298 310 V C -0.117 175.948 176.094 -0.049 0.000 1.028 310 V CA -1.099 61.279 62.300 0.131 0.000 0.860 310 V CB 1.502 33.179 31.823 -0.244 0.000 0.991 310 V HN 0.566 nan 8.190 nan 0.000 0.427 311 Q N 3.177 122.718 119.800 -0.431 0.000 2.330 311 Q HA 0.003 4.342 4.340 -0.001 0.000 0.279 311 Q C 1.467 177.255 176.000 -0.354 0.000 1.024 311 Q CA 0.425 55.660 55.803 -0.946 0.000 0.900 311 Q CB 1.091 29.457 28.738 -0.621 0.000 1.221 311 Q HN 1.023 nan 8.270 nan 0.000 0.396 312 E N 2.812 122.807 120.200 -0.342 0.000 2.147 312 E HA -0.273 4.077 4.350 -0.001 0.000 0.199 312 E C 0.283 176.865 176.600 -0.030 0.000 1.005 312 E CA 1.779 58.097 56.400 -0.136 0.000 0.810 312 E CB 0.042 29.649 29.700 -0.155 0.000 0.736 312 E HN 0.547 nan 8.360 nan 0.000 0.460 313 D N 1.033 121.400 120.400 -0.054 0.000 2.219 313 D HA -0.088 4.552 4.640 -0.001 0.000 0.205 313 D C 2.005 178.329 176.300 0.041 0.000 0.970 313 D CA 1.383 55.381 54.000 -0.003 0.000 0.851 313 D CB -0.043 40.749 40.800 -0.014 0.000 0.943 313 D HN 0.637 nan 8.370 nan 0.000 0.488 314 I N -3.547 117.054 120.570 0.052 0.000 4.082 314 I HA 0.173 4.342 4.170 -0.001 0.000 0.337 314 I C 1.844 178.048 176.117 0.144 0.000 1.352 314 I CA -0.526 60.831 61.300 0.096 0.000 1.097 314 I CB -0.112 37.947 38.000 0.099 0.000 1.048 314 I HN -0.241 nan 8.210 nan 0.000 0.393 315 Y N 2.934 123.242 120.300 0.013 0.000 2.081 315 Y HA -0.321 4.228 4.550 -0.001 0.000 0.280 315 Y C 2.053 178.019 175.900 0.109 0.000 1.163 315 Y CA 2.354 60.479 58.100 0.041 0.000 1.135 315 Y CB -0.160 38.296 38.460 -0.007 0.000 0.970 315 Y HN 0.196 nan 8.280 nan 0.000 0.498 316 D N 0.033 120.570 120.400 0.228 0.000 2.104 316 D HA -0.228 4.411 4.640 -0.001 0.000 0.194 316 D C 2.122 178.442 176.300 0.034 0.000 0.994 316 D CA 1.842 55.918 54.000 0.126 0.000 0.830 316 D CB -0.492 40.395 40.800 0.146 0.000 0.959 316 D HN 0.629 nan 8.370 nan 0.000 0.452 317 E N -0.661 119.576 120.200 0.062 0.000 2.072 317 E HA -0.171 4.178 4.350 -0.001 0.000 0.191 317 E C 2.075 178.690 176.600 0.025 0.000 0.985 317 E CA 0.446 56.869 56.400 0.040 0.000 0.801 317 E CB -0.230 29.505 29.700 0.057 0.000 0.750 317 E HN 0.250 nan 8.360 nan 0.000 0.452 318 F N 0.661 120.555 119.950 -0.093 0.000 2.134 318 F HA -0.217 4.310 4.527 -0.001 0.000 0.299 318 F C 2.054 177.757 175.800 -0.162 0.000 1.097 318 F CA 1.283 59.215 58.000 -0.114 0.000 1.264 318 F CB -0.111 38.822 39.000 -0.113 0.000 1.001 318 F HN -0.108 nan 8.300 nan 0.000 0.479 319 V N 0.432 120.332 119.914 -0.024 0.000 2.295 319 V HA -0.313 3.807 4.120 -0.001 0.000 0.246 319 V C 2.351 178.378 176.094 -0.112 0.000 1.049 319 V CA 2.289 64.519 62.300 -0.116 0.000 1.024 319 V CB -0.733 30.925 31.823 -0.275 0.000 0.648 319 V HN 0.438 nan 8.190 nan 0.000 0.447 320 E N 0.162 120.307 120.200 -0.090 0.000 2.085 320 E HA -0.272 4.078 4.350 -0.001 0.000 0.194 320 E C 2.412 178.945 176.600 -0.113 0.000 0.994 320 E CA 1.578 57.932 56.400 -0.076 0.000 0.801 320 E CB -0.055 29.618 29.700 -0.046 0.000 0.743 320 E HN 0.531 nan 8.360 nan 0.000 0.453 321 R N -0.130 120.273 120.500 -0.161 0.000 2.090 321 R HA -0.010 4.330 4.340 -0.001 0.000 0.228 321 R C 2.646 178.797 176.300 -0.248 0.000 1.110 321 R CA 1.279 57.257 56.100 -0.203 0.000 0.973 321 R CB -0.090 30.065 30.300 -0.242 0.000 0.869 321 R HN 0.050 nan 8.270 nan 0.000 0.440 322 S N 0.292 115.808 115.700 -0.306 0.000 2.368 322 S HA -0.093 4.376 4.470 -0.001 0.000 0.224 322 S C 2.067 176.603 174.600 -0.106 0.000 1.029 322 S CA 1.119 59.178 58.200 -0.235 0.000 0.988 322 S CB -0.086 62.988 63.200 -0.211 0.000 0.838 322 S HN 0.062 nan 8.310 nan 0.000 0.462 323 V N 1.988 121.847 119.914 -0.092 0.000 2.343 323 V HA -0.195 3.924 4.120 -0.001 0.000 0.247 323 V C 2.617 178.655 176.094 -0.093 0.000 1.051 323 V CA 1.667 63.928 62.300 -0.065 0.000 1.036 323 V CB -1.166 30.626 31.823 -0.053 0.000 0.654 323 V HN 0.532 nan 8.190 nan 0.000 0.451 324 A N 0.316 123.068 122.820 -0.112 0.000 1.902 324 A HA -0.272 4.047 4.320 -0.001 0.000 0.217 324 A C 2.304 179.791 177.584 -0.162 0.000 1.181 324 A CA 2.243 54.208 52.037 -0.120 0.000 0.623 324 A CB -0.537 18.395 19.000 -0.114 0.000 0.818 324 A HN 0.457 nan 8.150 nan 0.000 0.443 325 R N 0.151 120.523 120.500 -0.214 0.000 2.075 325 R HA 0.012 4.352 4.340 -0.001 0.000 0.232 325 R C 2.116 178.184 176.300 -0.387 0.000 1.126 325 R CA 1.895 57.787 56.100 -0.347 0.000 0.963 325 R CB -0.902 29.122 30.300 -0.461 0.000 0.858 325 R HN 0.392 nan 8.270 nan 0.000 0.435 326 A N 0.606 123.288 122.820 -0.231 0.000 1.930 326 A HA -0.116 4.203 4.320 -0.001 0.000 0.217 326 A C 1.950 179.420 177.584 -0.190 0.000 1.175 326 A CA 1.554 53.466 52.037 -0.207 0.000 0.627 326 A CB -0.367 18.570 19.000 -0.104 0.000 0.815 326 A HN 0.366 nan 8.150 nan 0.000 0.443 327 K N 0.345 120.659 120.400 -0.143 0.000 2.211 327 K HA -0.094 4.226 4.320 -0.001 0.000 0.203 327 K C 2.124 178.654 176.600 -0.117 0.000 1.050 327 K CA 1.453 57.672 56.287 -0.113 0.000 0.945 327 K CB -0.128 32.318 32.500 -0.089 0.000 0.732 327 K HN 0.654 nan 8.250 nan 0.000 0.451 328 S N 0.615 116.229 115.700 -0.143 0.000 2.528 328 S HA -0.027 4.442 4.470 -0.001 0.000 0.219 328 S C 0.872 175.396 174.600 -0.127 0.000 0.985 328 S CA -0.264 57.859 58.200 -0.128 0.000 0.914 328 S CB -0.062 63.057 63.200 -0.135 0.000 0.776 328 S HN 0.138 nan 8.310 nan 0.000 0.526 329 R N 1.923 122.330 120.500 -0.155 0.000 2.458 329 R HA 0.205 4.545 4.340 -0.001 0.000 0.303 329 R C -1.001 175.252 176.300 -0.078 0.000 1.013 329 R CA -0.115 55.914 56.100 -0.117 0.000 1.026 329 R CB 0.216 30.428 30.300 -0.146 0.000 0.948 329 R HN 0.180 nan 8.270 nan 0.000 0.417 330 V N 6.432 126.317 119.914 -0.048 0.000 2.439 330 V HA 0.102 4.222 4.120 -0.001 0.000 0.271 330 V C 0.163 176.244 176.094 -0.021 0.000 1.040 330 V CA -0.300 61.977 62.300 -0.038 0.000 1.002 330 V CB 1.132 32.938 31.823 -0.028 0.000 1.000 330 V HN 0.465 nan 8.190 nan 0.000 0.477 331 V N 4.934 124.827 119.914 -0.034 0.000 2.427 331 V HA 0.997 5.117 4.120 -0.001 0.000 0.286 331 V C 0.685 176.711 176.094 -0.113 0.000 1.034 331 V CA 0.542 62.837 62.300 -0.009 0.000 0.893 331 V CB 0.990 32.824 31.823 0.018 0.000 0.982 331 V HN 1.139 nan 8.190 nan 0.000 0.452 332 G N 3.321 112.060 108.800 -0.102 0.000 2.336 332 G HA2 0.114 4.073 3.960 -0.001 0.000 0.286 332 G HA3 0.114 4.073 3.960 -0.001 0.000 0.286 332 G C -0.986 173.891 174.900 -0.038 0.000 1.269 332 G CA -0.841 44.098 45.100 -0.269 0.000 0.873 332 G HN 0.596 nan 8.290 nan 0.000 0.494 333 N N 2.069 120.745 118.700 -0.041 0.000 2.374 333 N HA 0.122 4.862 4.740 -0.001 0.000 0.269 333 N C -0.659 174.901 175.510 0.084 0.000 1.310 333 N CA -0.998 52.105 53.050 0.089 0.000 0.877 333 N CB 1.390 39.918 38.487 0.067 0.000 1.096 333 N HN 0.160 nan 8.380 nan 0.000 0.484 334 P HA -0.128 nan 4.420 nan 0.000 0.225 334 P C 0.897 178.104 177.300 -0.154 0.000 1.148 334 P CA 1.161 64.207 63.100 -0.092 0.000 0.779 334 P CB -0.041 31.530 31.700 -0.215 0.000 0.780 335 F N -0.037 119.943 119.950 0.050 0.000 2.710 335 F HA 0.056 4.583 4.527 -0.000 0.000 0.298 335 F C 0.888 176.696 175.800 0.014 0.000 1.137 335 F CA 0.046 58.053 58.000 0.010 0.000 1.444 335 F CB -0.215 38.743 39.000 -0.069 0.000 1.111 335 F HN -0.201 nan 8.300 nan 0.000 0.580 336 D N -0.117 120.380 120.400 0.160 0.000 2.312 336 D HA 0.028 4.667 4.640 -0.001 0.000 0.252 336 D C 1.364 177.719 176.300 0.092 0.000 1.150 336 D CA 0.157 54.217 54.000 0.100 0.000 0.870 336 D CB 1.458 42.291 40.800 0.055 0.000 1.153 336 D HN 0.043 nan 8.370 nan 0.000 0.457 337 S N 2.661 118.414 115.700 0.089 0.000 2.420 337 S HA -0.232 4.237 4.470 -0.001 0.000 0.237 337 S C 1.283 175.920 174.600 0.061 0.000 1.023 337 S CA 1.001 59.253 58.200 0.087 0.000 0.991 337 S CB -0.069 63.176 63.200 0.074 0.000 0.792 337 S HN 0.408 nan 8.310 nan 0.000 0.488 338 K N 0.881 121.305 120.400 0.041 0.000 2.418 338 K HA 0.115 4.435 4.320 -0.001 0.000 0.195 338 K C 0.099 176.713 176.600 0.023 0.000 1.035 338 K CA 0.388 56.690 56.287 0.026 0.000 1.003 338 K CB -0.105 32.401 32.500 0.009 0.000 0.793 338 K HN 0.283 nan 8.250 nan 0.000 0.494 339 T N 1.922 116.495 114.554 0.031 0.000 2.853 339 T HA 0.031 4.381 4.350 -0.001 0.000 0.298 339 T C 0.785 175.508 174.700 0.039 0.000 0.978 339 T CA 0.292 62.409 62.100 0.028 0.000 1.152 339 T CB 1.019 69.908 68.868 0.035 0.000 0.914 339 T HN 0.189 nan 8.240 nan 0.000 0.539 340 E N 1.777 121.998 120.200 0.036 0.000 2.307 340 E HA 0.056 4.405 4.350 -0.001 0.000 0.195 340 E C 0.780 177.406 176.600 0.044 0.000 0.975 340 E CA 0.175 56.607 56.400 0.053 0.000 0.878 340 E CB 0.574 30.307 29.700 0.056 0.000 0.845 340 E HN 0.551 nan 8.360 nan 0.000 0.488 341 Q N 0.271 120.097 119.800 0.043 0.000 2.304 341 Q HA 0.441 4.781 4.340 -0.001 0.000 0.270 341 Q C -0.582 175.487 176.000 0.114 0.000 1.035 341 Q CA -0.637 55.196 55.803 0.050 0.000 0.781 341 Q CB 1.770 30.544 28.738 0.060 0.000 1.261 341 Q HN 0.130 nan 8.270 nan 0.000 0.444 342 G N 3.037 111.875 108.800 0.064 0.000 2.606 342 G HA2 0.604 4.564 3.960 -0.001 0.000 0.262 342 G HA3 0.604 4.564 3.960 -0.001 0.000 0.262 342 G C -2.536 172.342 174.900 -0.036 0.000 1.394 342 G CA -1.057 44.108 45.100 0.107 0.000 1.044 342 G HN 0.566 nan 8.290 nan 0.000 0.553 343 P HA 0.210 nan 4.420 nan 0.000 0.279 343 P C -0.817 176.310 177.300 -0.289 0.000 1.276 343 P CA -0.400 62.237 63.100 -0.773 0.000 0.801 343 P CB 0.985 31.953 31.700 -1.221 0.000 1.127 344 Q N -0.155 119.560 119.800 -0.142 0.000 2.382 344 Q HA 0.076 4.415 4.340 -0.001 0.000 0.229 344 Q C 1.339 177.244 176.000 -0.159 0.000 1.006 344 Q CA -0.437 55.323 55.803 -0.072 0.000 0.916 344 Q CB 0.268 29.037 28.738 0.051 0.000 1.235 344 Q HN 0.189 nan 8.270 nan 0.000 0.512 345 V N 0.521 120.270 119.914 -0.276 0.000 2.392 345 V HA -0.218 3.901 4.120 -0.001 0.000 0.249 345 V C 0.331 176.178 176.094 -0.411 0.000 1.059 345 V CA 2.684 64.737 62.300 -0.412 0.000 1.051 345 V CB -0.102 31.221 31.823 -0.834 0.000 0.658 345 V HN 0.977 nan 8.190 nan 0.000 0.455 346 D N -3.469 116.609 120.400 -0.537 0.000 2.768 346 D HA 0.111 4.751 4.640 -0.001 0.000 0.327 346 D C 0.652 176.299 176.300 -1.088 0.000 1.302 346 D CA -0.080 53.498 54.000 -0.704 0.000 0.897 346 D CB 0.634 41.138 40.800 -0.494 0.000 1.420 346 D HN -0.029 nan 8.370 nan 0.000 0.494 347 E N -0.779 118.720 120.200 -1.168 0.000 2.106 347 E HA -0.124 4.226 4.350 -0.001 0.000 0.192 347 E C 1.147 177.584 176.600 -0.272 0.000 0.984 347 E CA 1.561 57.464 56.400 -0.828 0.000 0.806 347 E CB -0.025 29.424 29.700 -0.418 0.000 0.750 347 E HN 0.513 nan 8.360 nan 0.000 0.458 348 T N 1.111 115.520 114.554 -0.242 0.000 2.708 348 T HA -0.159 4.191 4.350 -0.001 0.000 0.266 348 T C 1.793 176.446 174.700 -0.079 0.000 1.037 348 T CA 1.097 63.124 62.100 -0.122 0.000 1.146 348 T CB -0.144 68.657 68.868 -0.112 0.000 0.865 348 T HN 0.138 nan 8.240 nan 0.000 0.435 349 Q N 0.133 119.858 119.800 -0.124 0.000 2.084 349 Q HA -0.007 4.333 4.340 -0.001 0.000 0.202 349 Q C 2.080 178.107 176.000 0.045 0.000 0.978 349 Q CA 1.114 56.903 55.803 -0.022 0.000 0.844 349 Q CB -0.735 27.950 28.738 -0.089 0.000 0.898 349 Q HN 0.559 nan 8.270 nan 0.000 0.426 350 F N 1.980 121.830 119.950 -0.167 0.000 2.065 350 F HA -0.265 4.262 4.527 -0.001 0.000 0.298 350 F C 2.020 177.805 175.800 -0.024 0.000 1.112 350 F CA 1.802 59.751 58.000 -0.084 0.000 1.212 350 F CB -0.028 38.889 39.000 -0.140 0.000 0.975 350 F HN -0.017 nan 8.300 nan 0.000 0.476 351 K N 0.007 120.405 120.400 -0.002 0.000 2.097 351 K HA -0.191 4.128 4.320 -0.001 0.000 0.205 351 K C 2.198 178.735 176.600 -0.105 0.000 1.050 351 K CA 1.483 57.715 56.287 -0.092 0.000 0.938 351 K CB -0.267 32.233 32.500 0.001 0.000 0.718 351 K HN 0.230 nan 8.250 nan 0.000 0.442 352 K N 1.198 121.565 120.400 -0.055 0.000 2.057 352 K HA -0.107 4.213 4.320 -0.001 0.000 0.207 352 K C 1.969 178.569 176.600 0.000 0.000 1.049 352 K CA 1.160 57.411 56.287 -0.059 0.000 0.931 352 K CB -0.008 32.506 32.500 0.023 0.000 0.714 352 K HN 0.056 nan 8.250 nan 0.000 0.440 353 I N 1.020 121.632 120.570 0.070 0.000 2.202 353 I HA -0.290 3.879 4.170 -0.001 0.000 0.242 353 I C 2.112 178.262 176.117 0.055 0.000 1.091 353 I CA 1.022 62.407 61.300 0.141 0.000 1.368 353 I CB -0.194 37.861 38.000 0.091 0.000 1.058 353 I HN 0.153 nan 8.210 nan 0.000 0.410 354 L N 0.464 121.623 121.223 -0.107 0.000 2.079 354 L HA -0.156 4.184 4.340 -0.001 0.000 0.210 354 L C 2.655 179.497 176.870 -0.047 0.000 1.081 354 L CA 1.525 56.293 54.840 -0.120 0.000 0.752 354 L CB -1.133 40.770 42.059 -0.259 0.000 0.896 354 L HN 0.343 nan 8.230 nan 0.000 0.433 355 G N -1.175 107.576 108.800 -0.082 0.000 2.402 355 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.216 355 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.216 355 G C 1.396 176.253 174.900 -0.072 0.000 1.162 355 G CA 0.472 45.504 45.100 -0.113 0.000 0.777 355 G HN 0.306 nan 8.290 nan 0.000 0.539 356 Y N 0.398 120.703 120.300 0.009 0.000 2.242 356 Y HA -0.004 4.546 4.550 -0.001 0.000 0.291 356 Y C 2.759 178.684 175.900 0.042 0.000 1.137 356 Y CA 0.510 58.621 58.100 0.018 0.000 1.181 356 Y CB -0.032 38.449 38.460 0.034 0.000 0.989 356 Y HN 0.116 nan 8.280 nan 0.000 0.527 357 I N -0.036 120.688 120.570 0.255 0.000 2.226 357 I HA -0.342 3.828 4.170 -0.001 0.000 0.245 357 I C 2.207 178.468 176.117 0.239 0.000 1.100 357 I CA 1.631 63.122 61.300 0.318 0.000 1.374 357 I CB -0.400 37.735 38.000 0.225 0.000 1.057 357 I HN 0.268 nan 8.210 nan 0.000 0.413 358 N N 0.505 119.278 118.700 0.122 0.000 2.069 358 N HA -0.182 4.557 4.740 -0.001 0.000 0.191 358 N C 1.714 177.256 175.510 0.054 0.000 1.031 358 N CA 2.152 55.248 53.050 0.077 0.000 0.852 358 N CB -0.119 38.383 38.487 0.025 0.000 1.018 358 N HN 0.175 nan 8.380 nan 0.000 0.423 359 T N -1.187 113.389 114.554 0.036 0.000 2.746 359 T HA -0.059 4.291 4.350 -0.001 0.000 0.267 359 T C 1.769 176.433 174.700 -0.061 0.000 1.039 359 T CA 1.327 63.431 62.100 0.005 0.000 1.142 359 T CB -0.982 67.910 68.868 0.040 0.000 0.866 359 T HN 0.477 nan 8.240 nan 0.000 0.444 360 G N 1.742 110.452 108.800 -0.150 0.000 2.418 360 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.217 360 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.217 360 G C 1.611 176.339 174.900 -0.288 0.000 1.158 360 G CA 0.682 45.457 45.100 -0.541 0.000 0.771 360 G HN 0.437 nan 8.290 nan 0.000 0.545 361 K N -0.219 120.200 120.400 0.031 0.000 2.025 361 K HA -0.054 4.265 4.320 -0.001 0.000 0.207 361 K C 2.706 179.336 176.600 0.051 0.000 1.049 361 K CA 1.051 57.422 56.287 0.140 0.000 0.933 361 K CB -0.167 32.441 32.500 0.180 0.000 0.714 361 K HN 0.155 nan 8.250 nan 0.000 0.438 362 Q N 1.058 120.872 119.800 0.022 0.000 2.084 362 Q HA -0.165 4.175 4.340 -0.001 0.000 0.202 362 Q C 1.471 177.469 176.000 -0.004 0.000 0.978 362 Q CA 1.500 57.310 55.803 0.011 0.000 0.844 362 Q CB -0.039 28.702 28.738 0.005 0.000 0.898 362 Q HN 0.441 nan 8.270 nan 0.000 0.426 363 E N -0.907 119.275 120.200 -0.030 0.000 2.502 363 E HA 0.082 4.432 4.350 -0.001 0.000 0.194 363 E C 0.617 177.199 176.600 -0.030 0.000 1.062 363 E CA 0.326 56.705 56.400 -0.036 0.000 0.867 363 E CB 0.147 29.814 29.700 -0.055 0.000 0.888 363 E HN 0.510 nan 8.360 nan 0.000 0.510 364 G N 0.933 109.726 108.800 -0.013 0.000 2.141 364 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.242 364 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.242 364 G C 0.292 175.204 174.900 0.021 0.000 0.982 364 G CA -0.029 45.078 45.100 0.012 0.000 0.662 364 G HN 0.440 nan 8.290 nan 0.000 0.527 365 A N -0.049 122.760 122.820 -0.018 0.000 2.388 365 A HA 0.635 4.955 4.320 -0.001 0.000 0.257 365 A C 0.654 178.373 177.584 0.225 0.000 1.095 365 A CA 0.464 52.514 52.037 0.021 0.000 0.791 365 A CB 0.445 19.294 19.000 -0.252 0.000 1.029 365 A HN 0.583 nan 8.150 nan 0.000 0.489 366 K N 2.330 122.883 120.400 0.255 0.000 2.292 366 K HA 0.257 4.576 4.320 -0.001 0.000 0.290 366 K C -0.667 176.101 176.600 0.280 0.000 1.083 366 K CA -0.419 56.011 56.287 0.238 0.000 0.918 366 K CB 0.042 32.640 32.500 0.164 0.000 1.089 366 K HN 0.576 nan 8.250 nan 0.000 0.473 367 L N 6.278 127.627 121.223 0.210 0.000 2.433 367 L HA 0.068 4.407 4.340 -0.001 0.000 0.275 367 L C 0.206 177.038 176.870 -0.064 0.000 1.128 367 L CA 0.621 55.416 54.840 -0.076 0.000 0.875 367 L CB 0.443 42.457 42.059 -0.075 0.000 1.171 367 L HN 0.805 nan 8.230 nan 0.000 0.463 368 L N 4.823 125.980 121.223 -0.111 0.000 2.515 368 L HA 0.229 4.569 4.340 -0.001 0.000 0.223 368 L C 0.316 177.144 176.870 -0.071 0.000 1.079 368 L CA 0.185 54.993 54.840 -0.053 0.000 0.857 368 L CB 0.079 42.126 42.059 -0.019 0.000 1.050 368 L HN 0.842 nan 8.230 nan 0.000 0.476 369 C N -3.286 115.944 119.300 -0.116 0.000 3.253 369 C HA 0.716 5.176 4.460 -0.001 0.000 0.342 369 C C 0.658 175.580 174.990 -0.113 0.000 1.306 369 C CA -0.647 58.317 59.018 -0.091 0.000 1.207 369 C CB 0.787 28.488 27.740 -0.066 0.000 1.479 369 C HN 0.617 nan 8.230 nan 0.000 0.469 370 G N 0.913 109.667 108.800 -0.076 0.000 2.547 370 G HA2 0.364 4.324 3.960 -0.001 0.000 0.271 370 G HA3 0.364 4.324 3.960 -0.001 0.000 0.271 370 G C 1.316 176.170 174.900 -0.077 0.000 1.209 370 G CA 2.350 47.414 45.100 -0.060 0.000 0.959 370 G HN 3.336 nan 8.290 nan 0.000 0.563 371 G N -2.323 106.436 108.800 -0.069 0.000 2.201 371 G HA2 0.447 4.407 3.960 -0.001 0.000 0.212 371 G HA3 0.447 4.407 3.960 -0.001 0.000 0.212 371 G C 1.422 176.318 174.900 -0.007 0.000 0.994 371 G CA 0.974 46.039 45.100 -0.058 0.000 0.644 371 G HN 2.581 nan 8.290 nan 0.000 0.508 372 G N -0.944 107.858 108.800 0.003 0.000 2.975 372 G HA2 0.673 4.633 3.960 -0.001 0.000 0.291 372 G HA3 0.673 4.633 3.960 -0.001 0.000 0.291 372 G C -0.329 174.599 174.900 0.046 0.000 1.334 372 G CA -0.746 44.363 45.100 0.015 0.000 0.843 372 G HN 0.589 nan 8.290 nan 0.000 0.548 373 I N 1.047 121.664 120.570 0.078 0.000 2.692 373 I HA 0.257 4.427 4.170 -0.001 0.000 0.284 373 I C 1.421 177.628 176.117 0.150 0.000 1.159 373 I CA 0.071 61.479 61.300 0.180 0.000 1.423 373 I CB 1.700 39.852 38.000 0.253 0.000 1.380 373 I HN 0.550 nan 8.210 nan 0.000 0.580 374 A N 4.860 127.798 122.820 0.196 0.000 2.303 374 A HA 0.680 5.000 4.320 -0.001 0.000 0.217 374 A C 0.641 178.244 177.584 0.032 0.000 1.205 374 A CA 0.503 52.603 52.037 0.105 0.000 0.875 374 A CB 0.143 19.213 19.000 0.116 0.000 0.910 374 A HN 0.793 nan 8.150 nan 0.000 0.501 375 A N -1.032 121.840 122.820 0.087 0.000 2.612 375 A HA 0.556 4.875 4.320 -0.001 0.000 0.293 375 A C -0.718 176.901 177.584 0.058 0.000 1.075 375 A CA -0.290 51.744 52.037 -0.004 0.000 0.680 375 A CB 0.404 19.305 19.000 -0.165 0.000 1.279 375 A HN -0.068 nan 8.150 nan 0.000 0.411 376 D N -0.053 120.352 120.400 0.009 0.000 2.323 376 D HA 0.072 4.712 4.640 -0.001 0.000 0.209 376 D C 0.641 176.937 176.300 -0.007 0.000 0.973 376 D CA 1.068 55.076 54.000 0.014 0.000 0.874 376 D CB 0.297 41.095 40.800 -0.004 0.000 0.930 376 D HN 0.471 nan 8.370 nan 0.000 0.521 377 R N -0.407 120.086 120.500 -0.013 0.000 2.686 377 R HA 0.506 4.845 4.340 -0.001 0.000 0.286 377 R C -0.166 176.129 176.300 -0.008 0.000 0.969 377 R CA -0.139 55.928 56.100 -0.054 0.000 0.898 377 R CB 1.702 31.973 30.300 -0.049 0.000 1.183 377 R HN 0.084 nan 8.270 nan 0.000 0.456 378 G N 1.706 110.343 108.800 -0.271 0.000 2.746 378 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.685 378 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.685 378 G C -0.971 173.489 174.900 -0.733 0.000 1.350 378 G CA -0.506 44.291 45.100 -0.504 0.000 0.837 378 G HN 0.646 nan 8.290 nan 0.000 0.564 379 Y N -0.083 119.839 120.300 -0.630 0.000 2.903 379 Y HA 0.493 5.043 4.550 -0.001 0.000 0.387 379 Y C 0.814 176.508 175.900 -0.342 0.000 1.189 379 Y CA -0.653 56.969 58.100 -0.796 0.000 1.856 379 Y CB -0.128 37.956 38.460 -0.627 0.000 1.917 379 Y HN 0.335 nan 8.280 nan 0.000 0.448 380 F N 1.461 121.456 119.950 0.075 0.000 2.410 380 F HA 0.474 5.000 4.527 -0.001 0.000 0.348 380 F C 0.183 176.165 175.800 0.304 0.000 1.106 380 F CA -0.691 57.405 58.000 0.161 0.000 1.163 380 F CB 0.726 39.757 39.000 0.050 0.000 1.129 380 F HN 0.016 nan 8.300 nan 0.000 0.516 381 I N 2.614 123.420 120.570 0.393 0.000 2.545 381 I HA 0.229 4.398 4.170 -0.001 0.000 0.292 381 I C -0.567 175.657 176.117 0.179 0.000 1.040 381 I CA -0.969 60.485 61.300 0.257 0.000 1.068 381 I CB 2.011 40.117 38.000 0.176 0.000 1.251 381 I HN 0.529 nan 8.210 nan 0.000 0.424 382 Q N 5.872 125.744 119.800 0.120 0.000 2.364 382 Q HA 0.166 4.506 4.340 -0.001 0.000 0.267 382 Q C -2.312 173.733 176.000 0.075 0.000 0.999 382 Q CA -1.494 54.351 55.803 0.070 0.000 0.886 382 Q CB 0.097 28.853 28.738 0.031 0.000 1.243 382 Q HN 0.246 nan 8.270 nan 0.000 0.415 383 P HA -0.024 nan 4.420 nan 0.000 0.266 383 P C -1.136 176.224 177.300 0.100 0.000 1.215 383 P CA 0.525 63.662 63.100 0.062 0.000 0.763 383 P CB 0.623 32.171 31.700 -0.253 0.000 0.806 384 T N 3.054 117.737 114.554 0.215 0.000 2.829 384 T HA 0.480 4.830 4.350 -0.001 0.000 0.280 384 T C -0.405 174.321 174.700 0.044 0.000 0.999 384 T CA -0.432 61.687 62.100 0.031 0.000 0.983 384 T CB 1.042 69.877 68.868 -0.054 0.000 0.968 384 T HN -0.064 nan 8.240 nan 0.000 0.446 385 V N 3.675 123.529 119.914 -0.099 0.000 2.531 385 V HA 0.533 4.652 4.120 -0.001 0.000 0.301 385 V C -1.057 174.927 176.094 -0.184 0.000 1.034 385 V CA -0.903 61.373 62.300 -0.040 0.000 0.865 385 V CB 1.380 33.233 31.823 0.050 0.000 0.995 385 V HN 0.842 nan 8.190 nan 0.000 0.424 386 F N 2.369 122.347 119.950 0.046 0.000 2.444 386 F HA 0.760 5.286 4.527 -0.001 0.000 0.342 386 F C 0.921 176.753 175.800 0.053 0.000 1.121 386 F CA -0.294 57.731 58.000 0.042 0.000 0.997 386 F CB 2.069 41.084 39.000 0.025 0.000 1.130 386 F HN 0.609 nan 8.300 nan 0.000 0.454 387 G N 0.791 109.753 108.800 0.270 0.000 2.509 387 G HA2 0.346 4.305 3.960 -0.001 0.000 0.328 387 G HA3 0.346 4.305 3.960 -0.001 0.000 0.328 387 G C -0.565 174.479 174.900 0.241 0.000 1.194 387 G CA -0.654 44.590 45.100 0.239 0.000 0.967 387 G HN 0.714 nan 8.290 nan 0.000 0.488 388 D N -1.127 119.443 120.400 0.283 0.000 2.708 388 D HA -0.164 4.476 4.640 -0.001 0.000 0.236 388 D C 0.593 176.946 176.300 0.088 0.000 1.146 388 D CA 0.635 54.726 54.000 0.151 0.000 0.662 388 D CB -1.225 39.642 40.800 0.111 0.000 1.059 388 D HN 0.188 nan 8.370 nan 0.000 0.428 389 V N 0.754 120.717 119.914 0.082 0.000 2.686 389 V HA 0.041 4.161 4.120 -0.001 0.000 0.295 389 V C 0.874 176.965 176.094 -0.006 0.000 1.055 389 V CA 0.138 62.446 62.300 0.012 0.000 1.050 389 V CB 1.692 33.504 31.823 -0.019 0.000 0.984 389 V HN 0.062 nan 8.190 nan 0.000 0.482 390 Q N 1.936 121.728 119.800 -0.014 0.000 2.301 390 Q HA 0.329 4.669 4.340 -0.001 0.000 0.267 390 Q C 0.430 176.434 176.000 0.006 0.000 1.035 390 Q CA -0.756 55.051 55.803 0.006 0.000 0.856 390 Q CB 1.590 30.333 28.738 0.009 0.000 1.337 390 Q HN 0.664 nan 8.270 nan 0.000 0.450 391 D N 1.294 121.719 120.400 0.041 0.000 2.158 391 D HA -0.132 4.508 4.640 -0.001 0.000 0.197 391 D C 1.468 177.789 176.300 0.035 0.000 0.995 391 D CA 1.699 55.733 54.000 0.058 0.000 0.846 391 D CB -0.048 40.812 40.800 0.099 0.000 0.941 391 D HN 0.828 nan 8.370 nan 0.000 0.456 392 G N -0.314 108.500 108.800 0.024 0.000 2.744 392 G HA2 -0.010 3.949 3.960 -0.001 0.000 0.211 392 G HA3 -0.010 3.949 3.960 -0.001 0.000 0.211 392 G C 0.740 175.642 174.900 0.003 0.000 1.143 392 G CA -0.183 44.927 45.100 0.016 0.000 0.788 392 G HN 0.166 nan 8.290 nan 0.000 0.534 393 M N 0.611 120.204 119.600 -0.011 0.000 2.243 393 M HA 0.139 4.618 4.480 -0.001 0.000 0.341 393 M C 1.819 178.105 176.300 -0.023 0.000 1.130 393 M CA -0.093 55.187 55.300 -0.032 0.000 1.162 393 M CB 0.967 33.524 32.600 -0.071 0.000 1.497 393 M HN -0.067 nan 8.290 nan 0.000 0.456 394 T N 2.347 116.894 114.554 -0.012 0.000 2.720 394 T HA -0.128 4.222 4.350 -0.001 0.000 0.268 394 T C 1.538 176.235 174.700 -0.004 0.000 1.037 394 T CA 1.719 63.838 62.100 0.031 0.000 1.144 394 T CB -0.464 68.454 68.868 0.084 0.000 0.864 394 T HN 0.771 nan 8.240 nan 0.000 0.444 395 I N -0.357 120.170 120.570 -0.071 0.000 3.001 395 I HA 0.188 4.357 4.170 -0.001 0.000 0.268 395 I C 2.260 178.305 176.117 -0.120 0.000 1.267 395 I CA 0.836 62.052 61.300 -0.140 0.000 1.472 395 I CB -0.403 37.465 38.000 -0.219 0.000 1.089 395 I HN 0.089 nan 8.210 nan 0.000 0.468 396 A N 1.055 123.827 122.820 -0.080 0.000 2.195 396 A HA 0.174 4.494 4.320 -0.001 0.000 0.210 396 A C 2.170 179.752 177.584 -0.003 0.000 1.165 396 A CA 0.236 52.239 52.037 -0.056 0.000 0.806 396 A CB -0.060 18.910 19.000 -0.050 0.000 0.847 396 A HN 0.435 nan 8.150 nan 0.000 0.482 397 K N -0.291 120.116 120.400 0.011 0.000 2.367 397 K HA 0.153 4.472 4.320 -0.001 0.000 0.198 397 K C -0.146 176.524 176.600 0.117 0.000 1.132 397 K CA 0.255 56.582 56.287 0.067 0.000 0.941 397 K CB 0.508 33.041 32.500 0.055 0.000 1.052 397 K HN 0.422 nan 8.250 nan 0.000 0.507 398 E N 1.930 122.161 120.200 0.051 0.000 2.231 398 E HA 0.084 4.434 4.350 -0.001 0.000 0.277 398 E C -0.954 175.585 176.600 -0.102 0.000 0.999 398 E CA -0.361 56.077 56.400 0.064 0.000 0.827 398 E CB 1.687 31.453 29.700 0.110 0.000 1.101 398 E HN 0.076 nan 8.360 nan 0.000 0.393 399 E N 3.126 123.318 120.200 -0.012 0.000 2.328 399 E HA -0.029 4.321 4.350 -0.001 0.000 0.265 399 E C 0.271 176.773 176.600 -0.162 0.000 1.057 399 E CA 0.037 56.387 56.400 -0.083 0.000 0.916 399 E CB 0.379 30.034 29.700 -0.076 0.000 0.993 399 E HN 0.537 nan 8.360 nan 0.000 0.446 400 I N 4.384 124.824 120.570 -0.216 0.000 2.585 400 I HA -0.060 4.109 4.170 -0.001 0.000 0.254 400 I C 0.433 176.658 176.117 0.181 0.000 1.129 400 I CA 0.005 61.159 61.300 -0.242 0.000 1.455 400 I CB 0.075 37.914 38.000 -0.269 0.000 1.111 400 I HN 0.685 nan 8.210 nan 0.000 0.433 401 F N 1.705 121.629 119.950 -0.043 0.000 3.091 401 F HA -0.182 4.344 4.527 -0.001 0.000 0.288 401 F C 0.476 176.308 175.800 0.053 0.000 0.907 401 F CA 0.653 58.669 58.000 0.028 0.000 1.028 401 F CB -1.375 37.692 39.000 0.111 0.000 1.022 401 F HN 0.162 nan 8.300 nan 0.000 0.665 402 G N -0.624 108.195 108.800 0.033 0.000 2.727 402 G HA2 0.657 4.617 3.960 -0.001 0.000 0.289 402 G HA3 0.657 4.617 3.960 -0.001 0.000 0.289 402 G C -2.984 171.882 174.900 -0.057 0.000 1.418 402 G CA -0.774 44.338 45.100 0.019 0.000 0.818 402 G HN -0.143 nan 8.290 nan 0.000 0.486 403 P HA 0.278 nan 4.420 nan 0.000 0.226 403 P C -0.655 176.682 177.300 0.061 0.000 1.783 403 P CA -0.082 63.065 63.100 0.077 0.000 0.980 403 P CB 0.220 32.102 31.700 0.302 0.000 1.967 404 V N 3.062 122.902 119.914 -0.124 0.000 2.409 404 V HA 0.363 4.483 4.120 -0.001 0.000 0.290 404 V C 0.224 176.224 176.094 -0.157 0.000 1.017 404 V CA -0.658 61.622 62.300 -0.034 0.000 0.841 404 V CB 2.032 33.911 31.823 0.094 0.000 1.003 404 V HN 0.304 nan 8.190 nan 0.000 0.426 405 M N 4.044 123.556 119.600 -0.147 0.000 2.264 405 M HA 0.619 5.098 4.480 -0.001 0.000 0.352 405 M C -0.891 175.428 176.300 0.032 0.000 1.173 405 M CA -0.350 54.855 55.300 -0.158 0.000 1.075 405 M CB 1.572 34.071 32.600 -0.168 0.000 1.621 405 M HN 0.632 nan 8.290 nan 0.000 0.457 406 Q N 4.988 124.782 119.800 -0.009 0.000 2.333 406 Q HA 0.593 4.932 4.340 -0.001 0.000 0.265 406 Q C -1.283 174.710 176.000 -0.012 0.000 0.989 406 Q CA -0.000 55.817 55.803 0.024 0.000 0.842 406 Q CB 1.890 30.597 28.738 -0.051 0.000 1.262 406 Q HN 0.702 nan 8.270 nan 0.000 0.451 407 I N 4.131 124.733 120.570 0.053 0.000 2.389 407 I HA 0.408 4.578 4.170 -0.001 0.000 0.288 407 I C -0.968 175.220 176.117 0.118 0.000 0.999 407 I CA -0.930 60.409 61.300 0.065 0.000 1.129 407 I CB 0.911 38.972 38.000 0.101 0.000 1.288 407 I HN 0.332 nan 8.210 nan 0.000 0.444 408 L N 6.357 127.597 121.223 0.028 0.000 2.342 408 L HA 0.543 4.883 4.340 -0.001 0.000 0.271 408 L C -0.136 176.886 176.870 0.255 0.000 1.008 408 L CA -0.523 54.343 54.840 0.043 0.000 0.818 408 L CB 1.476 43.358 42.059 -0.296 0.000 1.296 408 L HN 0.456 nan 8.230 nan 0.000 0.427 409 K N 1.907 122.406 120.400 0.165 0.000 2.164 409 K HA 0.705 5.024 4.320 -0.001 0.000 0.258 409 K C -1.428 175.318 176.600 0.244 0.000 0.951 409 K CA -0.474 55.861 56.287 0.079 0.000 0.844 409 K CB 1.234 33.469 32.500 -0.441 0.000 1.099 409 K HN 0.545 nan 8.250 nan 0.000 0.435 410 F N 1.021 121.035 119.950 0.107 0.000 2.629 410 F HA 0.469 4.996 4.527 -0.001 0.000 0.316 410 F C 0.259 176.085 175.800 0.043 0.000 1.081 410 F CA -0.947 57.108 58.000 0.092 0.000 0.954 410 F CB 1.609 40.683 39.000 0.124 0.000 1.337 410 F HN 0.506 nan 8.300 nan 0.000 0.474 411 K N -0.083 120.370 120.400 0.089 0.000 2.266 411 K HA 0.204 4.524 4.320 -0.001 0.000 0.209 411 K C 0.255 176.900 176.600 0.075 0.000 1.065 411 K CA 1.028 57.291 56.287 -0.040 0.000 0.946 411 K CB 0.290 32.794 32.500 0.008 0.000 1.069 411 K HN 0.907 nan 8.250 nan 0.000 0.472 412 T N -2.146 112.551 114.554 0.238 0.000 2.950 412 T HA 0.265 4.615 4.350 -0.001 0.000 0.288 412 T C 1.130 175.992 174.700 0.269 0.000 1.035 412 T CA -0.857 61.364 62.100 0.203 0.000 1.028 412 T CB 1.470 70.395 68.868 0.094 0.000 1.109 412 T HN 0.180 nan 8.240 nan 0.000 0.514 413 I N 0.408 121.070 120.570 0.154 0.000 2.315 413 I HA -0.088 4.081 4.170 -0.001 0.000 0.248 413 I C 2.079 178.235 176.117 0.064 0.000 1.117 413 I CA 1.494 62.842 61.300 0.079 0.000 1.404 413 I CB -0.021 37.962 38.000 -0.028 0.000 1.071 413 I HN 0.760 nan 8.210 nan 0.000 0.419 414 E N 0.648 120.886 120.200 0.063 0.000 2.072 414 E HA -0.273 4.077 4.350 -0.001 0.000 0.191 414 E C 1.954 178.574 176.600 0.033 0.000 0.985 414 E CA 1.341 57.795 56.400 0.091 0.000 0.801 414 E CB -0.246 29.496 29.700 0.070 0.000 0.750 414 E HN 0.540 nan 8.360 nan 0.000 0.452 415 E N 0.539 120.757 120.200 0.031 0.000 2.051 415 E HA -0.178 4.171 4.350 -0.001 0.000 0.192 415 E C 2.079 178.615 176.600 -0.108 0.000 0.991 415 E CA 1.208 57.612 56.400 0.007 0.000 0.799 415 E CB -0.069 29.680 29.700 0.081 0.000 0.748 415 E HN 0.166 nan 8.360 nan 0.000 0.449 416 V N 0.472 120.248 119.914 -0.229 0.000 2.594 416 V HA -0.178 3.942 4.120 -0.001 0.000 0.253 416 V C 2.289 178.083 176.094 -0.501 0.000 1.069 416 V CA 1.246 63.178 62.300 -0.612 0.000 1.082 416 V CB 0.079 31.156 31.823 -1.243 0.000 0.680 416 V HN 0.225 nan 8.190 nan 0.000 0.469 417 V N 0.549 120.309 119.914 -0.256 0.000 2.295 417 V HA -0.145 3.974 4.120 -0.001 0.000 0.246 417 V C 2.658 178.648 176.094 -0.172 0.000 1.049 417 V CA 2.199 64.389 62.300 -0.184 0.000 1.024 417 V CB -1.312 30.468 31.823 -0.072 0.000 0.648 417 V HN 0.622 nan 8.190 nan 0.000 0.447 418 G N -0.428 108.296 108.800 -0.126 0.000 2.418 418 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.217 418 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.217 418 G C 1.754 176.596 174.900 -0.097 0.000 1.158 418 G CA 0.662 45.709 45.100 -0.087 0.000 0.771 418 G HN 0.438 nan 8.290 nan 0.000 0.545 419 R N 0.408 120.816 120.500 -0.154 0.000 2.073 419 R HA 0.121 4.460 4.340 -0.001 0.000 0.229 419 R C 3.021 179.249 176.300 -0.121 0.000 1.120 419 R CA 1.010 57.043 56.100 -0.111 0.000 0.967 419 R CB -0.332 29.895 30.300 -0.121 0.000 0.862 419 R HN 0.335 nan 8.270 nan 0.000 0.436 420 A N 1.557 124.171 122.820 -0.343 0.000 1.933 420 A HA -0.149 4.171 4.320 -0.001 0.000 0.218 420 A C 1.620 179.172 177.584 -0.053 0.000 1.175 420 A CA 1.442 53.355 52.037 -0.206 0.000 0.628 420 A CB -0.312 18.495 19.000 -0.321 0.000 0.814 420 A HN 0.223 nan 8.150 nan 0.000 0.444 421 N N 0.162 118.812 118.700 -0.082 0.000 2.463 421 N HA -0.051 4.688 4.740 -0.001 0.000 0.181 421 N C 0.282 175.786 175.510 -0.009 0.000 1.078 421 N CA 0.313 53.335 53.050 -0.047 0.000 0.902 421 N CB -0.427 38.019 38.487 -0.068 0.000 0.970 421 N HN 0.400 nan 8.380 nan 0.000 0.451 422 N N 1.055 119.756 118.700 0.003 0.000 2.895 422 N HA 0.047 4.787 4.740 -0.001 0.000 0.277 422 N C -1.308 174.229 175.510 0.044 0.000 1.185 422 N CA 0.127 53.189 53.050 0.020 0.000 1.106 422 N CB -0.222 38.280 38.487 0.024 0.000 1.422 422 N HN -0.087 nan 8.380 nan 0.000 0.521 423 S N 0.079 115.800 115.700 0.036 0.000 2.565 423 S HA 0.219 4.689 4.470 -0.001 0.000 0.274 423 S C 0.745 175.345 174.600 -0.001 0.000 1.144 423 S CA -0.409 57.818 58.200 0.044 0.000 0.849 423 S CB 0.197 63.471 63.200 0.123 0.000 1.103 423 S HN 0.414 nan 8.310 nan 0.000 0.455 424 T N 0.640 115.136 114.554 -0.096 0.000 3.113 424 T HA 0.266 4.615 4.350 -0.001 0.000 0.256 424 T C 0.472 175.078 174.700 -0.158 0.000 1.131 424 T CA 0.487 62.489 62.100 -0.164 0.000 1.074 424 T CB -0.527 68.179 68.868 -0.270 0.000 0.944 424 T HN 0.533 nan 8.240 nan 0.000 0.516 425 Y N 0.380 120.701 120.300 0.035 0.000 2.432 425 Y HA 0.581 5.130 4.550 -0.001 0.000 0.322 425 Y C 1.242 177.158 175.900 0.027 0.000 1.246 425 Y CA -0.933 57.191 58.100 0.039 0.000 1.268 425 Y CB 1.814 40.304 38.460 0.050 0.000 1.276 425 Y HN 0.117 nan 8.280 nan 0.000 0.499 426 G N 1.272 110.201 108.800 0.216 0.000 5.312 426 G HA2 0.082 4.042 3.960 -0.001 0.000 0.204 426 G HA3 0.082 4.042 3.960 -0.001 0.000 0.204 426 G C -0.271 174.618 174.900 -0.017 0.000 1.097 426 G CA -0.270 44.868 45.100 0.063 0.000 0.621 426 G HN 0.542 nan 8.290 nan 0.000 0.290 427 L N 0.578 121.797 121.223 -0.008 0.000 2.049 427 L HA 0.764 5.103 4.340 -0.001 0.000 0.203 427 L C 1.162 177.904 176.870 -0.214 0.000 1.074 427 L CA 2.259 57.036 54.840 -0.104 0.000 0.749 427 L CB -0.017 42.043 42.059 0.000 0.000 0.907 427 L HN 0.494 nan 8.230 nan 0.000 0.439 428 A N -2.112 120.643 122.820 -0.108 0.000 2.588 428 A HA 0.902 5.222 4.320 -0.001 0.000 0.290 428 A C -1.470 176.071 177.584 -0.072 0.000 1.136 428 A CA -0.095 51.817 52.037 -0.208 0.000 0.681 428 A CB 0.910 19.828 19.000 -0.135 0.000 1.282 428 A HN 0.518 nan 8.150 nan 0.000 0.421 429 A N -1.286 121.468 122.820 -0.110 0.000 2.586 429 A HA 0.978 5.297 4.320 -0.001 0.000 0.291 429 A C -0.706 176.973 177.584 0.158 0.000 1.062 429 A CA 0.127 52.213 52.037 0.081 0.000 0.666 429 A CB 0.542 19.526 19.000 -0.027 0.000 1.281 429 A HN 2.671 nan 8.150 nan 0.000 0.421 430 A N -0.241 122.790 122.820 0.350 0.000 2.556 430 A HA 0.824 5.144 4.320 -0.001 0.000 0.294 430 A C -1.461 176.343 177.584 0.367 0.000 1.091 430 A CA -0.507 51.791 52.037 0.436 0.000 0.704 430 A CB 1.623 21.132 19.000 0.848 0.000 1.300 430 A HN 1.810 nan 8.150 nan 0.000 0.406 431 V N 0.879 120.959 119.914 0.276 0.000 2.623 431 V HA 0.553 4.673 4.120 -0.001 0.000 0.304 431 V C -1.598 174.587 176.094 0.152 0.000 1.054 431 V CA -0.253 62.188 62.300 0.236 0.000 0.882 431 V CB 1.435 33.324 31.823 0.111 0.000 1.002 431 V HN 0.706 nan 8.190 nan 0.000 0.424 432 F N 2.729 122.795 119.950 0.194 0.000 2.403 432 F HA 0.770 5.297 4.527 -0.001 0.000 0.355 432 F C 0.326 176.236 175.800 0.185 0.000 1.119 432 F CA -0.210 57.919 58.000 0.215 0.000 1.007 432 F CB 2.027 41.169 39.000 0.235 0.000 1.194 432 F HN 0.530 nan 8.300 nan 0.000 0.443 433 T N 2.091 116.776 114.554 0.217 0.000 2.893 433 T HA 0.277 4.626 4.350 -0.001 0.000 0.337 433 T C 0.126 174.897 174.700 0.118 0.000 1.587 433 T CA -0.677 61.528 62.100 0.174 0.000 1.066 433 T CB 1.443 70.395 68.868 0.140 0.000 1.414 433 T HN 0.633 nan 8.240 nan 0.000 0.488 434 K N 0.854 121.316 120.400 0.104 0.000 2.361 434 K HA 0.169 4.489 4.320 -0.001 0.000 0.194 434 K C -0.136 176.494 176.600 0.050 0.000 1.032 434 K CA -0.030 56.299 56.287 0.070 0.000 1.048 434 K CB 0.226 32.766 32.500 0.067 0.000 0.842 434 K HN 0.505 nan 8.250 nan 0.000 0.526 435 D N 0.972 121.405 120.400 0.055 0.000 2.317 435 D HA 0.013 4.652 4.640 -0.001 0.000 0.252 435 D C 0.870 177.193 176.300 0.038 0.000 1.174 435 D CA -0.266 53.759 54.000 0.042 0.000 0.866 435 D CB 1.043 41.867 40.800 0.040 0.000 1.127 435 D HN -0.162 nan 8.370 nan 0.000 0.467 436 L N 4.175 125.416 121.223 0.029 0.000 1.989 436 L HA -0.150 4.190 4.340 -0.001 0.000 0.211 436 L C 1.273 178.164 176.870 0.036 0.000 1.071 436 L CA 1.973 56.830 54.840 0.027 0.000 0.749 436 L CB -0.431 41.640 42.059 0.021 0.000 0.890 436 L HN 0.510 nan 8.230 nan 0.000 0.431 437 D N -0.382 120.038 120.400 0.033 0.000 2.117 437 D HA -0.168 4.472 4.640 -0.001 0.000 0.197 437 D C 2.199 178.537 176.300 0.064 0.000 0.987 437 D CA 1.306 55.331 54.000 0.042 0.000 0.829 437 D CB -0.065 40.747 40.800 0.019 0.000 0.961 437 D HN 0.410 nan 8.370 nan 0.000 0.460 438 K N 0.576 121.003 120.400 0.045 0.000 2.097 438 K HA -0.023 4.297 4.320 -0.001 0.000 0.206 438 K C 2.120 178.789 176.600 0.114 0.000 1.049 438 K CA 1.083 57.408 56.287 0.063 0.000 0.933 438 K CB -0.046 32.485 32.500 0.050 0.000 0.717 438 K HN 0.020 nan 8.250 nan 0.000 0.442 439 A N 2.008 124.876 122.820 0.080 0.000 1.877 439 A HA -0.189 4.131 4.320 -0.001 0.000 0.216 439 A C 1.841 179.461 177.584 0.060 0.000 1.186 439 A CA 1.643 53.718 52.037 0.063 0.000 0.620 439 A CB -0.466 18.557 19.000 0.037 0.000 0.822 439 A HN 0.216 nan 8.150 nan 0.000 0.443 440 N N -1.557 117.182 118.700 0.066 0.000 2.188 440 N HA -0.146 4.594 4.740 -0.001 0.000 0.184 440 N C 1.590 177.146 175.510 0.076 0.000 1.018 440 N CA 1.602 54.683 53.050 0.053 0.000 0.858 440 N CB -0.584 37.931 38.487 0.047 0.000 0.989 440 N HN 0.690 nan 8.380 nan 0.000 0.426 441 Y N 1.532 121.823 120.300 -0.015 0.000 2.145 441 Y HA -0.085 4.465 4.550 -0.001 0.000 0.286 441 Y C 2.179 178.059 175.900 -0.034 0.000 1.145 441 Y CA 1.410 59.498 58.100 -0.020 0.000 1.148 441 Y CB -0.326 38.128 38.460 -0.011 0.000 0.981 441 Y HN -0.048 nan 8.280 nan 0.000 0.507 442 L N -0.326 120.990 121.223 0.155 0.000 2.072 442 L HA -0.182 4.158 4.340 -0.001 0.000 0.205 442 L C 2.768 179.592 176.870 -0.078 0.000 1.079 442 L CA 1.421 56.275 54.840 0.023 0.000 0.752 442 L CB -0.797 41.315 42.059 0.089 0.000 0.906 442 L HN 0.356 nan 8.230 nan 0.000 0.436 443 S N -0.764 114.904 115.700 -0.053 0.000 2.399 443 S HA -0.304 4.165 4.470 -0.001 0.000 0.231 443 S C 1.906 176.430 174.600 -0.127 0.000 1.022 443 S CA 1.450 59.594 58.200 -0.093 0.000 0.983 443 S CB -0.413 62.745 63.200 -0.070 0.000 0.803 443 S HN 0.509 nan 8.310 nan 0.000 0.480 444 Q N 1.256 120.981 119.800 -0.126 0.000 2.083 444 Q HA 0.078 4.418 4.340 -0.001 0.000 0.198 444 Q C 2.251 178.140 176.000 -0.186 0.000 0.969 444 Q CA 1.158 56.877 55.803 -0.140 0.000 0.838 444 Q CB -0.509 28.152 28.738 -0.128 0.000 0.900 444 Q HN 0.694 nan 8.270 nan 0.000 0.436 445 A N 0.699 123.360 122.820 -0.265 0.000 1.968 445 A HA 0.073 4.393 4.320 -0.001 0.000 0.217 445 A C 0.941 178.397 177.584 -0.213 0.000 1.169 445 A CA 0.189 52.054 52.037 -0.285 0.000 0.638 445 A CB -0.378 18.346 19.000 -0.460 0.000 0.812 445 A HN 0.376 nan 8.150 nan 0.000 0.446 446 L N 0.908 122.008 121.223 -0.206 0.000 2.462 446 L HA 0.044 4.384 4.340 -0.001 0.000 0.272 446 L C 0.129 176.836 176.870 -0.271 0.000 1.166 446 L CA -0.111 54.605 54.840 -0.206 0.000 0.880 446 L CB 0.447 42.393 42.059 -0.188 0.000 1.142 446 L HN 0.393 nan 8.230 nan 0.000 0.473 447 Q N 3.693 123.342 119.800 -0.253 0.000 2.844 447 Q HA 0.495 4.834 4.340 -0.001 0.000 0.235 447 Q C -0.362 175.285 176.000 -0.589 0.000 1.336 447 Q CA -0.257 55.343 55.803 -0.339 0.000 1.026 447 Q CB 0.697 29.381 28.738 -0.089 0.000 1.513 447 Q HN 0.694 nan 8.270 nan 0.000 0.577 448 A N -0.296 121.949 122.820 -0.957 0.000 2.572 448 A HA 0.689 5.008 4.320 -0.001 0.000 0.295 448 A C 0.841 177.838 177.584 -0.978 0.000 1.072 448 A CA -0.389 51.158 52.037 -0.816 0.000 0.691 448 A CB 1.103 19.848 19.000 -0.425 0.000 1.291 448 A HN 0.521 nan 8.150 nan 0.000 0.404 449 G N -0.197 108.276 108.800 -0.544 0.000 2.408 449 G HA2 0.285 4.245 3.960 -0.001 0.000 0.217 449 G HA3 0.285 4.245 3.960 -0.001 0.000 0.217 449 G C 0.505 175.153 174.900 -0.420 0.000 1.150 449 G CA 1.709 46.621 45.100 -0.312 0.000 0.776 449 G HN 0.850 nan 8.290 nan 0.000 0.542 450 T N -0.276 113.945 114.554 -0.554 0.000 2.879 450 T HA 0.511 4.860 4.350 -0.001 0.000 0.290 450 T C -1.144 173.083 174.700 -0.788 0.000 0.993 450 T CA -0.392 61.285 62.100 -0.705 0.000 0.975 450 T CB 2.693 70.999 68.868 -0.937 0.000 0.981 450 T HN -0.092 nan 8.240 nan 0.000 0.439 451 V N 3.961 123.482 119.914 -0.654 0.000 2.378 451 V HA 0.429 4.549 4.120 -0.001 0.000 0.288 451 V C -0.672 175.173 176.094 -0.416 0.000 1.016 451 V CA -1.014 61.010 62.300 -0.460 0.000 0.840 451 V CB 1.197 32.858 31.823 -0.271 0.000 0.994 451 V HN 0.766 nan 8.190 nan 0.000 0.431 452 W N 3.644 124.851 121.300 -0.154 0.000 2.365 452 W HA 0.615 5.274 4.660 -0.001 0.000 0.316 452 W C -0.520 175.926 176.519 -0.122 0.000 1.164 452 W CA -0.676 56.579 57.345 -0.150 0.000 1.204 452 W CB 1.838 31.180 29.460 -0.196 0.000 1.213 452 W HN 0.260 nan 8.180 nan 0.000 0.539 453 V N 4.801 124.762 119.914 0.078 0.000 2.378 453 V HA 0.126 4.245 4.120 -0.001 0.000 0.288 453 V C 0.200 176.185 176.094 -0.181 0.000 1.016 453 V CA -0.888 61.375 62.300 -0.062 0.000 0.840 453 V CB 1.040 32.845 31.823 -0.030 0.000 0.994 453 V HN 0.677 nan 8.190 nan 0.000 0.431 454 N N 1.980 120.339 118.700 -0.569 0.000 2.741 454 N HA -0.174 4.565 4.740 -0.001 0.000 0.250 454 N C -0.249 175.125 175.510 -0.227 0.000 1.115 454 N CA 1.311 53.951 53.050 -0.684 0.000 0.724 454 N CB -1.141 37.273 38.487 -0.122 0.000 1.090 454 N HN 1.050 nan 8.380 nan 0.000 0.558 455 C N -4.074 115.064 119.300 -0.270 0.000 3.284 455 C HA 0.825 5.285 4.460 -0.001 0.000 0.348 455 C C -1.070 174.035 174.990 0.193 0.000 1.448 455 C CA -1.300 57.811 59.018 0.155 0.000 1.223 455 C CB 1.864 29.680 27.740 0.126 0.000 1.588 455 C HN 0.266 nan 8.230 nan 0.000 0.451 456 Y N -0.103 120.070 120.300 -0.212 0.000 2.558 456 Y HA 0.458 5.007 4.550 -0.001 0.000 0.333 456 Y C -0.463 174.890 175.900 -0.911 0.000 1.125 456 Y CA 0.392 58.154 58.100 -0.563 0.000 1.039 456 Y CB 1.323 39.757 38.460 -0.042 0.000 1.331 456 Y HN 1.026 nan 8.280 nan 0.000 0.456 457 D N 2.070 121.314 120.400 -1.927 0.000 2.772 457 D HA -0.134 4.505 4.640 -0.001 0.000 0.233 457 D C -1.006 175.018 176.300 -0.461 0.000 1.143 457 D CA 0.939 54.421 54.000 -0.862 0.000 0.700 457 D CB -0.996 39.833 40.800 0.049 0.000 1.076 457 D HN 0.164 nan 8.370 nan 0.000 0.430 458 V N 1.535 120.944 119.914 -0.843 0.000 2.304 458 V HA 0.305 4.424 4.120 -0.001 0.000 0.262 458 V C 0.475 176.573 176.094 0.007 0.000 1.061 458 V CA -0.289 61.894 62.300 -0.194 0.000 0.872 458 V CB -0.033 31.721 31.823 -0.115 0.000 1.077 458 V HN -0.012 nan 8.190 nan 0.000 0.480 459 F N 2.351 122.339 119.950 0.064 0.000 2.458 459 F HA 0.839 5.365 4.527 -0.001 0.000 0.330 459 F C 0.813 176.621 175.800 0.013 0.000 1.082 459 F CA -0.563 57.478 58.000 0.069 0.000 0.995 459 F CB 2.134 41.154 39.000 0.033 0.000 1.170 459 F HN 0.478 nan 8.300 nan 0.000 0.478 460 G N 0.022 108.903 108.800 0.135 0.000 2.731 460 G HA2 0.507 4.467 3.960 -0.001 0.000 0.298 460 G HA3 0.507 4.467 3.960 -0.001 0.000 0.298 460 G C -0.004 174.817 174.900 -0.132 0.000 1.424 460 G CA -0.324 44.777 45.100 0.001 0.000 1.029 460 G HN 0.868 nan 8.290 nan 0.000 0.518 461 A N 1.019 123.688 122.820 -0.251 0.000 2.131 461 A HA -0.059 4.261 4.320 -0.001 0.000 0.220 461 A C 2.080 179.070 177.584 -0.990 0.000 1.158 461 A CA 1.890 53.608 52.037 -0.532 0.000 0.665 461 A CB -0.101 18.585 19.000 -0.523 0.000 0.795 461 A HN 0.583 nan 8.150 nan 0.000 0.460 462 Q N -0.131 119.227 119.800 -0.737 0.000 2.269 462 Q HA 0.144 4.484 4.340 -0.001 0.000 0.201 462 Q C 0.378 176.310 176.000 -0.114 0.000 0.946 462 Q CA 0.742 56.252 55.803 -0.488 0.000 0.877 462 Q CB 0.127 28.754 28.738 -0.184 0.000 0.963 462 Q HN 0.466 nan 8.270 nan 0.000 0.472 463 S N 2.276 117.918 115.700 -0.095 0.000 2.462 463 S HA 0.400 4.869 4.470 -0.001 0.000 0.294 463 S C -2.449 172.148 174.600 -0.005 0.000 1.144 463 S CA -1.390 56.805 58.200 -0.008 0.000 1.088 463 S CB 1.204 64.391 63.200 -0.022 0.000 1.009 463 S HN 0.063 nan 8.310 nan 0.000 0.484 464 P HA 0.282 nan 4.420 nan 0.000 0.272 464 P C -0.997 176.301 177.300 -0.003 0.000 1.230 464 P CA -0.237 62.854 63.100 -0.016 0.000 0.788 464 P CB 0.399 31.988 31.700 -0.186 0.000 0.949 465 F N 0.585 120.446 119.950 -0.147 0.000 2.588 465 F HA 0.652 5.179 4.527 -0.001 0.000 0.314 465 F C -0.503 175.270 175.800 -0.045 0.000 1.134 465 F CA 0.222 58.160 58.000 -0.103 0.000 0.961 465 F CB 2.056 41.046 39.000 -0.016 0.000 1.239 465 F HN 0.678 nan 8.300 nan 0.000 0.448 466 G N 2.181 110.542 108.800 -0.732 0.000 2.328 466 G HA2 0.486 4.445 3.960 -0.001 0.000 0.295 466 G HA3 0.486 4.445 3.960 -0.001 0.000 0.295 466 G C -1.603 173.063 174.900 -0.389 0.000 1.413 466 G CA -0.198 44.649 45.100 -0.422 0.000 0.817 466 G HN 1.027 nan 8.290 nan 0.000 0.546 467 G N -1.451 107.247 108.800 -0.171 0.000 2.471 467 G HA2 0.616 4.576 3.960 -0.001 0.000 0.332 467 G HA3 0.616 4.576 3.960 -0.001 0.000 0.332 467 G C -1.316 173.641 174.900 0.095 0.000 1.176 467 G CA -0.540 44.530 45.100 -0.050 0.000 0.949 467 G HN 0.439 nan 8.290 nan 0.000 0.488 468 Y N 0.380 120.617 120.300 -0.105 0.000 2.458 468 Y HA 0.418 4.968 4.550 -0.001 0.000 0.322 468 Y C 1.442 177.322 175.900 -0.033 0.000 1.259 468 Y CA -0.618 57.435 58.100 -0.077 0.000 1.302 468 Y CB 1.376 39.787 38.460 -0.082 0.000 1.314 468 Y HN 0.855 nan 8.280 nan 0.000 0.509 469 K N -0.397 120.063 120.400 0.100 0.000 1.931 469 K HA -0.336 3.984 4.320 -0.001 0.000 0.126 469 K C 0.774 177.400 176.600 0.043 0.000 1.372 469 K CA 2.011 58.330 56.287 0.053 0.000 0.483 469 K CB -1.066 31.475 32.500 0.069 0.000 0.562 469 K HN 0.681 nan 8.250 nan 0.000 0.923 470 M N 0.971 120.595 119.600 0.039 0.000 2.628 470 M HA 0.019 4.498 4.480 -0.001 0.000 0.232 470 M C 1.014 177.408 176.300 0.156 0.000 1.128 470 M CA 0.557 55.883 55.300 0.043 0.000 1.040 470 M CB 0.196 32.763 32.600 -0.056 0.000 1.608 470 M HN 0.300 nan 8.290 nan 0.000 0.507 471 S N 0.539 116.359 115.700 0.199 0.000 2.603 471 S HA 0.309 4.778 4.470 -0.001 0.000 0.220 471 S C 0.871 175.546 174.600 0.126 0.000 0.967 471 S CA 0.464 58.797 58.200 0.221 0.000 0.920 471 S CB 0.060 63.368 63.200 0.180 0.000 0.773 471 S HN 0.762 nan 8.310 nan 0.000 0.529 472 G N 0.717 109.574 108.800 0.096 0.000 2.334 472 G HA2 0.240 4.200 3.960 -0.001 0.000 0.315 472 G HA3 0.240 4.200 3.960 -0.001 0.000 0.315 472 G C -1.129 173.784 174.900 0.022 0.000 1.284 472 G CA -0.452 44.690 45.100 0.069 0.000 0.985 472 G HN 0.727 nan 8.290 nan 0.000 0.504 473 S N -1.179 114.528 115.700 0.012 0.000 2.541 473 S HA 1.003 5.472 4.470 -0.001 0.000 0.271 473 S C 0.357 174.941 174.600 -0.025 0.000 1.133 473 S CA 0.509 58.693 58.200 -0.026 0.000 0.876 473 S CB 1.556 64.739 63.200 -0.028 0.000 1.105 473 S HN 3.043 nan 8.310 nan 0.000 0.470 474 G N 1.647 110.416 108.800 -0.051 0.000 2.746 474 G HA2 0.119 4.078 3.960 -0.001 0.000 0.685 474 G HA3 0.119 4.078 3.960 -0.001 0.000 0.685 474 G C -1.395 173.483 174.900 -0.037 0.000 1.350 474 G CA -1.017 44.058 45.100 -0.041 0.000 0.837 474 G HN 0.814 nan 8.290 nan 0.000 0.564 475 R N 0.297 120.788 120.500 -0.016 0.000 2.744 475 R HA 0.628 4.968 4.340 -0.001 0.000 0.279 475 R C -0.140 176.193 176.300 0.055 0.000 0.977 475 R CA -0.731 55.362 56.100 -0.011 0.000 0.906 475 R CB 1.866 32.123 30.300 -0.071 0.000 1.197 475 R HN 0.767 nan 8.270 nan 0.000 0.463 476 E N 1.591 121.831 120.200 0.068 0.000 2.281 476 E HA 0.625 4.975 4.350 -0.001 0.000 0.262 476 E C -0.352 176.254 176.600 0.010 0.000 0.933 476 E CA -0.899 55.537 56.400 0.061 0.000 0.809 476 E CB 1.707 31.438 29.700 0.052 0.000 1.242 476 E HN 0.323 nan 8.360 nan 0.000 0.418 477 L N -0.106 121.144 121.223 0.046 0.000 0.585 477 L HA -0.254 4.086 4.340 -0.001 0.000 0.356 477 L C 0.634 177.615 176.870 0.186 0.000 0.963 477 L CA 0.698 55.573 54.840 0.057 0.000 1.223 477 L CB -1.418 40.502 42.059 -0.231 0.000 0.011 477 L HN 1.003 nan 8.230 nan 0.000 0.091 478 G N 0.213 109.085 108.800 0.121 0.000 2.692 478 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.248 478 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.248 478 G C 0.406 175.515 174.900 0.348 0.000 1.340 478 G CA 0.939 46.211 45.100 0.287 0.000 0.896 478 G HN 1.167 nan 8.290 nan 0.000 0.570 479 E N -1.052 119.279 120.200 0.218 0.000 2.106 479 E HA -0.090 4.260 4.350 -0.001 0.000 0.192 479 E C 2.187 178.614 176.600 -0.288 0.000 0.984 479 E CA 1.631 57.858 56.400 -0.289 0.000 0.806 479 E CB -0.147 29.425 29.700 -0.214 0.000 0.750 479 E HN 0.630 nan 8.360 nan 0.000 0.458 480 Y N -0.084 120.196 120.300 -0.033 0.000 2.256 480 Y HA -0.114 4.436 4.550 -0.001 0.000 0.288 480 Y C 2.421 178.294 175.900 -0.045 0.000 1.155 480 Y CA 1.093 59.177 58.100 -0.027 0.000 1.203 480 Y CB -0.604 37.858 38.460 0.003 0.000 0.980 480 Y HN 0.171 nan 8.280 nan 0.000 0.530 481 G N -0.304 108.595 108.800 0.164 0.000 2.535 481 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.218 481 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.218 481 G C 1.411 176.321 174.900 0.017 0.000 1.122 481 G CA 0.692 45.871 45.100 0.131 0.000 0.769 481 G HN 0.404 nan 8.290 nan 0.000 0.549 482 L N -0.683 120.424 121.223 -0.193 0.000 2.375 482 L HA 0.074 4.413 4.340 -0.001 0.000 0.215 482 L C 2.892 179.598 176.870 -0.273 0.000 1.108 482 L CA 0.204 54.802 54.840 -0.404 0.000 0.830 482 L CB -0.258 41.128 42.059 -1.122 0.000 0.959 482 L HN 0.219 nan 8.230 nan 0.000 0.457 483 Q N 0.677 120.390 119.800 -0.145 0.000 2.061 483 Q HA -0.212 4.128 4.340 -0.001 0.000 0.204 483 Q C 2.356 178.313 176.000 -0.072 0.000 0.984 483 Q CA 1.865 57.651 55.803 -0.028 0.000 0.846 483 Q CB -0.311 28.442 28.738 0.026 0.000 0.902 483 Q HN 0.555 nan 8.270 nan 0.000 0.421 484 A N -0.356 122.382 122.820 -0.136 0.000 2.168 484 A HA -0.102 4.218 4.320 -0.001 0.000 0.215 484 A C 0.886 178.191 177.584 -0.464 0.000 1.152 484 A CA 0.730 52.593 52.037 -0.291 0.000 0.716 484 A CB -0.291 18.487 19.000 -0.369 0.000 0.794 484 A HN 0.409 nan 8.150 nan 0.000 0.465 485 Y N -0.372 119.879 120.300 -0.081 0.000 2.524 485 Y HA 0.197 4.747 4.550 -0.001 0.000 0.266 485 Y C 0.278 176.155 175.900 -0.039 0.000 1.180 485 Y CA 0.067 58.124 58.100 -0.070 0.000 1.244 485 Y CB 0.556 38.954 38.460 -0.102 0.000 1.125 485 Y HN 0.072 nan 8.280 nan 0.000 0.524 486 T N 0.191 114.766 114.554 0.035 0.000 2.841 486 T HA 0.343 4.693 4.350 -0.001 0.000 0.283 486 T C -1.019 173.675 174.700 -0.010 0.000 1.000 486 T CA -0.683 61.444 62.100 0.046 0.000 0.977 486 T CB 1.980 70.884 68.868 0.061 0.000 0.979 486 T HN -0.073 nan 8.240 nan 0.000 0.446 487 E N 2.117 122.330 120.200 0.021 0.000 2.158 487 E HA 0.513 4.862 4.350 -0.001 0.000 0.271 487 E C -1.070 175.533 176.600 0.006 0.000 0.911 487 E CA -0.597 55.807 56.400 0.007 0.000 0.767 487 E CB 1.024 30.748 29.700 0.040 0.000 1.120 487 E HN 0.328 nan 8.360 nan 0.000 0.405 488 V N 5.377 125.276 119.914 -0.025 0.000 2.432 488 V HA 0.303 4.423 4.120 -0.001 0.000 0.275 488 V C 0.125 176.227 176.094 0.014 0.000 1.043 488 V CA -0.450 61.850 62.300 -0.001 0.000 0.925 488 V CB 1.051 32.856 31.823 -0.031 0.000 0.985 488 V HN 0.566 nan 8.190 nan 0.000 0.466 489 K N 3.300 123.720 120.400 0.034 0.000 2.323 489 K HA 0.506 4.825 4.320 -0.001 0.000 0.259 489 K C -0.590 175.969 176.600 -0.068 0.000 0.947 489 K CA -0.375 55.904 56.287 -0.013 0.000 0.819 489 K CB 1.517 34.016 32.500 -0.002 0.000 1.109 489 K HN 0.683 nan 8.250 nan 0.000 0.429 490 T N 3.039 117.522 114.554 -0.118 0.000 2.767 490 T HA 0.290 4.640 4.350 -0.001 0.000 0.288 490 T C -0.728 173.783 174.700 -0.315 0.000 0.963 490 T CA -0.505 61.471 62.100 -0.205 0.000 1.019 490 T CB 1.144 69.915 68.868 -0.162 0.000 0.923 490 T HN 0.300 nan 8.240 nan 0.000 0.468 491 V N 4.083 123.648 119.914 -0.581 0.000 2.409 491 V HA 0.461 4.580 4.120 -0.001 0.000 0.291 491 V C 0.094 175.797 176.094 -0.651 0.000 1.020 491 V CA -0.706 61.190 62.300 -0.673 0.000 0.848 491 V CB 1.820 33.010 31.823 -1.055 0.000 0.990 491 V HN 0.948 nan 8.190 nan 0.000 0.430 492 T N 4.640 118.981 114.554 -0.354 0.000 2.833 492 T HA 0.526 4.876 4.350 -0.001 0.000 0.297 492 T C -0.382 174.282 174.700 -0.059 0.000 1.015 492 T CA -0.333 61.629 62.100 -0.229 0.000 0.963 492 T CB 1.379 70.102 68.868 -0.242 0.000 0.955 492 T HN 0.330 nan 8.240 nan 0.000 0.449 493 V N 4.044 123.998 119.914 0.067 0.000 2.435 493 V HA 0.435 4.554 4.120 -0.001 0.000 0.290 493 V C 0.468 176.770 176.094 0.347 0.000 1.030 493 V CA -1.129 61.293 62.300 0.202 0.000 0.881 493 V CB 1.624 33.594 31.823 0.245 0.000 0.983 493 V HN 0.732 nan 8.190 nan 0.000 0.445 494 K N 4.118 124.699 120.400 0.302 0.000 2.368 494 K HA 0.452 4.772 4.320 -0.001 0.000 0.282 494 K C -0.513 176.119 176.600 0.053 0.000 1.035 494 K CA -0.220 56.164 56.287 0.162 0.000 0.973 494 K CB 0.967 33.539 32.500 0.120 0.000 0.957 494 K HN 0.676 nan 8.250 nan 0.000 0.474 495 V N 1.947 121.826 119.914 -0.058 0.000 2.960 495 V HA 0.402 4.522 4.120 -0.001 0.000 0.315 495 V C -2.163 173.878 176.094 -0.087 0.000 1.087 495 V CA -2.019 60.265 62.300 -0.026 0.000 0.982 495 V CB 1.382 33.214 31.823 0.015 0.000 1.039 495 V HN 0.670 nan 8.190 nan 0.000 0.437 496 P HA -0.110 nan 4.420 nan 0.000 0.214 496 P C 0.081 177.335 177.300 -0.076 0.000 1.163 496 P CA 1.456 64.520 63.100 -0.059 0.000 0.889 496 P CB 0.134 31.811 31.700 -0.039 0.000 0.790 497 Q N -1.266 118.493 119.800 -0.069 0.000 2.371 497 Q HA 0.141 4.481 4.340 -0.001 0.000 0.244 497 Q C -1.134 174.834 176.000 -0.055 0.000 0.882 497 Q CA -0.754 55.009 55.803 -0.067 0.000 0.866 497 Q CB 1.007 29.715 28.738 -0.049 0.000 1.399 497 Q HN -0.228 nan 8.270 nan 0.000 0.432 498 K N 3.792 124.158 120.400 -0.056 0.000 2.368 498 K HA 0.275 4.594 4.320 -0.001 0.000 0.282 498 K C -1.170 175.421 176.600 -0.016 0.000 1.035 498 K CA 0.285 56.558 56.287 -0.024 0.000 0.973 498 K CB 0.565 33.065 32.500 -0.000 0.000 0.957 498 K HN 0.709 nan 8.250 nan 0.000 0.474 499 N N 1.416 120.107 118.700 -0.014 0.000 2.229 499 N HA 0.124 4.864 4.740 -0.001 0.000 0.298 499 N C -0.568 174.939 175.510 -0.006 0.000 1.114 499 N CA -0.456 52.587 53.050 -0.013 0.000 0.776 499 N CB 1.838 40.311 38.487 -0.023 0.000 1.501 499 N HN 0.698 nan 8.380 nan 0.000 0.474 500 S N 0.000 115.699 115.700 -0.002 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 500 S CA 0.000 58.201 58.200 0.002 0.000 1.107 500 S CB 0.000 63.202 63.200 0.004 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517