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 1cw3_1_D 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 0.000 177.586 177.584 0.003 0.000 1.274 7 A CA 0.000 52.053 52.037 0.027 0.000 0.836 7 A CB 0.000 19.017 19.000 0.029 0.000 0.831 8 V N 2.950 122.841 119.914 -0.040 0.000 2.607 8 V HA 0.437 4.570 4.120 0.022 0.000 0.289 8 V C -1.586 174.412 176.094 -0.159 0.000 1.053 8 V CA -1.139 61.037 62.300 -0.207 0.000 0.996 8 V CB 0.880 32.566 31.823 -0.229 0.000 0.995 8 V HN 0.781 nan 8.190 nan 0.000 0.476 9 P HA 0.216 nan 4.420 nan 0.000 0.269 9 P C -0.385 176.921 177.300 0.011 0.000 1.209 9 P CA -0.174 62.879 63.100 -0.079 0.000 0.776 9 P CB 0.349 32.016 31.700 -0.056 0.000 0.876 10 A N 4.820 127.639 122.820 -0.001 0.000 2.522 10 A HA 0.297 4.630 4.320 0.022 0.000 0.256 10 A C -1.591 175.926 177.584 -0.112 0.000 1.086 10 A CA -0.744 51.270 52.037 -0.038 0.000 0.763 10 A CB -1.105 17.870 19.000 -0.042 0.000 1.024 10 A HN 0.445 nan 8.150 nan 0.000 0.502 11 P HA 0.100 nan 4.420 nan 0.000 0.278 11 P C -0.768 176.315 177.300 -0.361 0.000 1.238 11 P CA -0.596 62.173 63.100 -0.551 0.000 0.794 11 P CB 0.728 31.683 31.700 -1.241 0.000 0.955 12 N N 2.155 120.696 118.700 -0.265 0.000 2.469 12 N HA 0.021 4.774 4.740 0.022 0.000 0.239 12 N C 0.831 176.072 175.510 -0.448 0.000 1.053 12 N CA 0.090 52.999 53.050 -0.235 0.000 0.937 12 N CB 0.254 38.697 38.487 -0.072 0.000 1.163 12 N HN 0.257 nan 8.380 nan 0.000 0.509 13 Q N 1.760 121.162 119.800 -0.663 0.000 2.561 13 Q HA -0.081 4.272 4.340 0.022 0.000 0.217 13 Q C -0.230 175.367 176.000 -0.672 0.000 0.980 13 Q CA 0.964 56.064 55.803 -1.171 0.000 0.927 13 Q CB 0.157 28.332 28.738 -0.938 0.000 0.980 13 Q HN 0.646 nan 8.270 nan 0.000 0.525 14 Q N 0.544 120.135 119.800 -0.348 0.000 3.180 14 Q HA 0.204 4.557 4.340 0.022 0.000 0.317 14 Q C -2.457 173.481 176.000 -0.104 0.000 0.824 14 Q CA -1.307 54.387 55.803 -0.181 0.000 0.926 14 Q CB 1.282 29.930 28.738 -0.150 0.000 1.487 14 Q HN 0.112 nan 8.270 nan 0.000 0.389 15 P HA -0.109 nan 4.420 nan 0.000 0.267 15 P C -0.333 176.963 177.300 -0.006 0.000 1.200 15 P CA 0.204 63.336 63.100 0.054 0.000 0.772 15 P CB 1.020 32.776 31.700 0.093 0.000 0.855 16 E N 1.214 121.381 120.200 -0.056 0.000 2.331 16 E HA 0.233 4.596 4.350 0.022 0.000 0.272 16 E C -0.707 175.593 176.600 -0.500 0.000 1.036 16 E CA -0.714 55.483 56.400 -0.337 0.000 0.864 16 E CB 0.827 30.219 29.700 -0.513 0.000 1.035 16 E HN 0.159 nan 8.360 nan 0.000 0.408 17 V N 5.693 125.328 119.914 -0.465 0.000 2.439 17 V HA 0.137 4.270 4.120 0.022 0.000 0.282 17 V C 0.077 175.876 176.094 -0.491 0.000 1.039 17 V CA -0.005 62.098 62.300 -0.328 0.000 0.913 17 V CB 0.894 32.612 31.823 -0.173 0.000 0.983 17 V HN 0.715 nan 8.190 nan 0.000 0.460 18 F N 1.331 121.307 119.950 0.043 0.000 2.712 18 F HA 0.267 4.807 4.527 0.022 0.000 0.297 18 F C 0.882 176.567 175.800 -0.191 0.000 1.114 18 F CA -0.102 57.884 58.000 -0.024 0.000 1.305 18 F CB 0.443 39.491 39.000 0.080 0.000 1.086 18 F HN 0.392 nan 8.300 nan 0.000 0.599 19 C N 1.988 121.257 119.300 -0.052 0.000 2.364 19 C HA 0.462 4.935 4.460 0.022 0.000 0.324 19 C C 0.235 175.020 174.990 -0.342 0.000 1.234 19 C CA -0.842 57.873 59.018 -0.504 0.000 1.417 19 C CB 0.478 27.900 27.740 -0.530 0.000 2.101 19 C HN 0.531 nan 8.230 nan 0.000 0.466 20 N N 0.947 119.415 118.700 -0.387 0.000 2.286 20 N HA 0.074 4.827 4.740 0.022 0.000 0.245 20 N C -0.439 175.020 175.510 -0.085 0.000 1.363 20 N CA -0.277 52.663 53.050 -0.182 0.000 0.822 20 N CB 0.011 38.398 38.487 -0.168 0.000 1.345 20 N HN 0.796 nan 8.380 nan 0.000 0.494 21 Q N -0.097 119.701 119.800 -0.004 0.000 2.852 21 Q HA 0.585 4.938 4.340 0.022 0.000 0.262 21 Q C -0.502 175.823 176.000 0.543 0.000 1.051 21 Q CA -0.974 54.993 55.803 0.275 0.000 0.894 21 Q CB 1.844 30.786 28.738 0.340 0.000 1.381 21 Q HN 0.120 nan 8.270 nan 0.000 0.501 22 I N 1.281 122.121 120.570 0.451 0.000 2.342 22 I HA 0.182 4.365 4.170 0.022 0.000 0.291 22 I C -0.825 175.405 176.117 0.187 0.000 1.010 22 I CA -0.252 61.246 61.300 0.331 0.000 1.308 22 I CB 0.513 38.658 38.000 0.240 0.000 1.400 22 I HN 0.376 nan 8.210 nan 0.000 0.488 23 F N 8.330 128.186 119.950 -0.156 0.000 2.371 23 F HA 0.584 5.124 4.527 0.022 0.000 0.363 23 F C -0.403 175.195 175.800 -0.335 0.000 1.122 23 F CA -0.289 57.369 58.000 -0.571 0.000 1.129 23 F CB 0.304 38.880 39.000 -0.706 0.000 1.173 23 F HN 0.194 nan 8.300 nan 0.000 0.489 24 I N 5.318 125.442 120.570 -0.743 0.000 2.656 24 I HA 0.204 4.387 4.170 0.022 0.000 0.292 24 I C -0.288 175.497 176.117 -0.552 0.000 1.144 24 I CA -1.091 59.953 61.300 -0.426 0.000 1.038 24 I CB 1.876 39.855 38.000 -0.035 0.000 1.244 24 I HN 0.442 nan 8.210 nan 0.000 0.420 25 N N 4.365 122.820 118.700 -0.408 0.000 2.710 25 N HA -0.260 4.494 4.740 0.022 0.000 0.249 25 N C 0.023 175.253 175.510 -0.467 0.000 1.059 25 N CA 1.388 54.246 53.050 -0.320 0.000 0.720 25 N CB -1.099 37.297 38.487 -0.151 0.000 0.983 25 N HN 0.926 nan 8.380 nan 0.000 0.544 26 N N -1.906 116.279 118.700 -0.859 0.000 2.741 26 N HA -0.244 4.509 4.740 0.022 0.000 0.251 26 N C -0.915 174.095 175.510 -0.834 0.000 1.112 26 N CA 1.268 53.803 53.050 -0.859 0.000 0.750 26 N CB -0.447 37.895 38.487 -0.241 0.000 1.119 26 N HN 0.625 nan 8.380 nan 0.000 0.561 27 E N -0.904 118.660 120.200 -1.059 0.000 2.336 27 E HA 0.430 4.793 4.350 0.022 0.000 0.267 27 E C -0.998 174.924 176.600 -1.131 0.000 0.906 27 E CA -0.718 55.203 56.400 -0.798 0.000 0.781 27 E CB 1.150 30.563 29.700 -0.478 0.000 1.261 27 E HN 0.132 nan 8.360 nan 0.000 0.436 28 W N 1.662 122.691 121.300 -0.453 0.000 2.361 28 W HA 0.308 4.981 4.660 0.021 0.000 0.309 28 W C 0.014 176.346 176.519 -0.312 0.000 1.122 28 W CA -0.301 56.867 57.345 -0.295 0.000 1.208 28 W CB 0.874 30.309 29.460 -0.041 0.000 1.246 28 W HN 0.361 nan 8.180 nan 0.000 0.490 29 H N 1.379 120.598 119.070 0.249 0.000 2.821 29 H HA 0.298 4.867 4.556 0.022 0.000 0.373 29 H C -0.583 174.843 175.328 0.163 0.000 1.165 29 H CA -0.972 55.165 56.048 0.148 0.000 1.154 29 H CB 1.485 31.285 29.762 0.064 0.000 1.765 29 H HN 0.289 nan 8.280 nan 0.000 0.549 30 D N 0.313 120.864 120.400 0.253 0.000 2.312 30 D HA 0.369 5.022 4.640 0.022 0.000 0.248 30 D C 0.363 176.756 176.300 0.156 0.000 1.086 30 D CA -0.498 53.604 54.000 0.171 0.000 0.948 30 D CB 1.632 42.503 40.800 0.119 0.000 1.162 30 D HN 0.618 nan 8.370 nan 0.000 0.446 31 A N 0.913 123.816 122.820 0.139 0.000 2.483 31 A HA 0.066 4.399 4.320 0.022 0.000 0.238 31 A C 1.575 179.216 177.584 0.094 0.000 1.070 31 A CA -0.379 51.735 52.037 0.128 0.000 0.770 31 A CB 0.292 19.376 19.000 0.140 0.000 1.008 31 A HN 0.436 nan 8.150 nan 0.000 0.497 32 V N 2.426 122.386 119.914 0.076 0.000 2.380 32 V HA -0.277 3.856 4.120 0.022 0.000 0.251 32 V C 2.681 178.807 176.094 0.052 0.000 1.063 32 V CA 2.802 65.132 62.300 0.050 0.000 1.055 32 V CB -0.917 30.930 31.823 0.040 0.000 0.657 32 V HN 1.123 nan 8.190 nan 0.000 0.455 33 S N -1.444 114.296 115.700 0.066 0.000 2.489 33 S HA -0.087 4.396 4.470 0.022 0.000 0.228 33 S C 1.374 176.013 174.600 0.065 0.000 0.995 33 S CA 0.362 58.599 58.200 0.063 0.000 0.934 33 S CB -0.054 63.190 63.200 0.074 0.000 0.771 33 S HN 0.492 nan 8.310 nan 0.000 0.522 34 R N -0.134 120.409 120.500 0.073 0.000 3.840 34 R HA -0.092 4.261 4.340 0.022 0.000 0.464 34 R C -0.540 175.805 176.300 0.076 0.000 0.986 34 R CA 1.117 57.258 56.100 0.069 0.000 1.305 34 R CB -2.117 28.214 30.300 0.053 0.000 1.950 34 R HN 0.562 nan 8.270 nan 0.000 0.526 35 K N 1.214 121.671 120.400 0.095 0.000 2.319 35 K HA 0.203 4.536 4.320 0.022 0.000 0.265 35 K C 0.791 177.471 176.600 0.134 0.000 1.000 35 K CA 0.925 57.281 56.287 0.114 0.000 0.943 35 K CB 0.610 33.193 32.500 0.138 0.000 0.950 35 K HN 0.288 nan 8.250 nan 0.000 0.485 36 T N -1.063 113.570 114.554 0.131 0.000 2.883 36 T HA 0.686 5.049 4.350 0.022 0.000 0.296 36 T C -0.967 173.848 174.700 0.191 0.000 1.117 36 T CA -1.044 61.107 62.100 0.086 0.000 1.006 36 T CB 0.813 69.667 68.868 -0.023 0.000 1.191 36 T HN 0.449 nan 8.240 nan 0.000 0.508 37 F N -0.797 119.219 119.950 0.110 0.000 2.578 37 F HA 0.845 5.385 4.527 0.021 0.000 0.311 37 F C -3.150 172.695 175.800 0.076 0.000 1.094 37 F CA -2.932 55.154 58.000 0.144 0.000 0.923 37 F CB 1.441 40.600 39.000 0.265 0.000 1.230 37 F HN 0.424 nan 8.300 nan 0.000 0.450 38 P HA 0.176 nan 4.420 nan 0.000 0.282 38 P C -0.860 176.544 177.300 0.173 0.000 1.249 38 P CA -0.123 63.028 63.100 0.085 0.000 0.806 38 P CB 1.907 33.662 31.700 0.091 0.000 0.984 39 T N 1.931 116.518 114.554 0.054 0.000 2.779 39 T HA 0.375 4.738 4.350 0.022 0.000 0.280 39 T C -0.398 174.327 174.700 0.041 0.000 0.987 39 T CA -0.499 61.651 62.100 0.083 0.000 0.966 39 T CB 0.229 69.122 68.868 0.042 0.000 0.933 39 T HN 0.065 nan 8.240 nan 0.000 0.442 40 V N 5.692 125.633 119.914 0.046 0.000 2.743 40 V HA 0.403 4.536 4.120 0.022 0.000 0.301 40 V C 0.662 176.768 176.094 0.021 0.000 1.057 40 V CA -0.974 61.349 62.300 0.038 0.000 1.006 40 V CB 1.587 33.451 31.823 0.068 0.000 1.024 40 V HN 0.933 nan 8.190 nan 0.000 0.473 41 N N 4.787 123.496 118.700 0.015 0.000 2.437 41 N HA 0.250 5.003 4.740 0.022 0.000 0.243 41 N C -1.587 173.917 175.510 -0.011 0.000 1.041 41 N CA -1.573 51.479 53.050 0.002 0.000 0.940 41 N CB 1.507 40.000 38.487 0.009 0.000 1.133 41 N HN 0.407 nan 8.380 nan 0.000 0.506 42 P HA -0.086 nan 4.420 nan 0.000 0.225 42 P C 0.581 177.732 177.300 -0.248 0.000 1.148 42 P CA 0.955 64.048 63.100 -0.012 0.000 0.779 42 P CB 0.361 32.050 31.700 -0.017 0.000 0.780 43 S N -0.433 115.174 115.700 -0.155 0.000 2.414 43 S HA -0.050 4.433 4.470 0.022 0.000 0.227 43 S C 1.879 176.495 174.600 0.027 0.000 1.022 43 S CA 1.853 60.032 58.200 -0.036 0.000 0.958 43 S CB -0.741 62.526 63.200 0.112 0.000 0.797 43 S HN 0.448 nan 8.310 nan 0.000 0.493 44 T N -3.045 111.471 114.554 -0.062 0.000 2.955 44 T HA 0.467 4.830 4.350 0.022 0.000 0.251 44 T C 1.557 176.163 174.700 -0.156 0.000 1.002 44 T CA 0.794 62.849 62.100 -0.074 0.000 0.970 44 T CB 0.292 69.142 68.868 -0.029 0.000 1.091 44 T HN 0.508 nan 8.240 nan 0.000 0.495 45 G N 1.648 110.329 108.800 -0.198 0.000 2.179 45 G HA2 -0.207 3.766 3.960 0.022 0.000 0.260 45 G HA3 -0.207 3.766 3.960 0.022 0.000 0.260 45 G C -0.157 174.716 174.900 -0.045 0.000 0.977 45 G CA 0.141 45.136 45.100 -0.176 0.000 0.641 45 G HN 0.611 nan 8.290 nan 0.000 0.533 46 E N 0.059 120.236 120.200 -0.038 0.000 2.319 46 E HA 0.495 4.858 4.350 0.022 0.000 0.268 46 E C 0.635 177.234 176.600 -0.001 0.000 1.050 46 E CA -0.682 55.709 56.400 -0.016 0.000 0.878 46 E CB 1.900 31.587 29.700 -0.022 0.000 1.066 46 E HN 0.131 nan 8.360 nan 0.000 0.406 47 V N 3.542 123.458 119.914 0.002 0.000 2.637 47 V HA 0.004 4.137 4.120 0.022 0.000 0.296 47 V C 1.623 177.710 176.094 -0.012 0.000 1.046 47 V CA 0.332 62.634 62.300 0.004 0.000 1.066 47 V CB 0.422 32.248 31.823 0.006 0.000 0.968 47 V HN 0.601 nan 8.190 nan 0.000 0.483 48 I N 3.690 124.250 120.570 -0.017 0.000 2.385 48 I HA 0.068 4.251 4.170 0.022 0.000 0.244 48 I C 0.973 177.060 176.117 -0.051 0.000 1.089 48 I CA 1.249 62.530 61.300 -0.032 0.000 1.410 48 I CB 0.208 38.190 38.000 -0.030 0.000 1.117 48 I HN 0.868 nan 8.210 nan 0.000 0.429 49 C N -2.190 117.074 119.300 -0.060 0.000 3.249 49 C HA 0.442 4.915 4.460 0.022 0.000 0.350 49 C C -1.393 173.530 174.990 -0.110 0.000 1.431 49 C CA -1.116 57.852 59.018 -0.082 0.000 1.209 49 C CB 1.245 28.925 27.740 -0.100 0.000 1.546 49 C HN 0.182 nan 8.230 nan 0.000 0.450 50 Q N 0.515 120.235 119.800 -0.134 0.000 2.226 50 Q HA 0.781 5.134 4.340 0.022 0.000 0.256 50 Q C -0.806 175.015 176.000 -0.298 0.000 0.962 50 Q CA -0.325 55.361 55.803 -0.195 0.000 0.887 50 Q CB 2.104 30.770 28.738 -0.120 0.000 1.282 50 Q HN 0.724 nan 8.270 nan 0.000 0.449 51 V N 0.381 119.963 119.914 -0.553 0.000 2.876 51 V HA 0.506 4.639 4.120 0.022 0.000 0.312 51 V C -0.486 175.309 176.094 -0.498 0.000 1.085 51 V CA -1.223 60.721 62.300 -0.595 0.000 0.945 51 V CB 1.929 33.215 31.823 -0.896 0.000 1.017 51 V HN 0.904 nan 8.190 nan 0.000 0.428 52 A N 2.132 124.860 122.820 -0.153 0.000 2.548 52 A HA 0.200 4.533 4.320 0.022 0.000 0.247 52 A C 0.383 178.091 177.584 0.206 0.000 1.067 52 A CA 0.265 52.328 52.037 0.045 0.000 0.757 52 A CB -0.143 18.934 19.000 0.127 0.000 0.996 52 A HN 0.872 nan 8.150 nan 0.000 0.504 53 E N 3.086 123.471 120.200 0.308 0.000 1.936 53 E HA 0.334 4.697 4.350 0.022 0.000 0.267 53 E C 0.702 177.481 176.600 0.299 0.000 1.076 53 E CA -0.271 56.417 56.400 0.479 0.000 0.870 53 E CB 0.185 30.208 29.700 0.538 0.000 1.093 53 E HN 0.813 nan 8.360 nan 0.000 0.411 54 G N 3.293 112.249 108.800 0.260 0.000 2.544 54 G HA2 0.047 4.020 3.960 0.022 0.000 0.242 54 G HA3 0.047 4.020 3.960 0.022 0.000 0.242 54 G C -0.231 174.769 174.900 0.166 0.000 1.247 54 G CA -0.175 45.038 45.100 0.188 0.000 0.840 54 G HN 0.564 nan 8.290 nan 0.000 0.578 55 D N -0.739 119.742 120.400 0.134 0.000 2.867 55 D HA 0.181 4.834 4.640 0.022 0.000 0.308 55 D C 1.249 177.607 176.300 0.097 0.000 1.202 55 D CA -0.782 53.286 54.000 0.114 0.000 1.035 55 D CB 1.570 42.432 40.800 0.103 0.000 1.427 55 D HN 0.289 nan 8.370 nan 0.000 0.570 56 K N 0.421 120.871 120.400 0.083 0.000 2.059 56 K HA -0.208 4.125 4.320 0.022 0.000 0.212 56 K C 1.539 178.191 176.600 0.087 0.000 1.050 56 K CA 1.834 58.170 56.287 0.082 0.000 0.927 56 K CB 0.035 32.569 32.500 0.058 0.000 0.714 56 K HN 0.318 nan 8.250 nan 0.000 0.447 57 E N 0.143 120.386 120.200 0.071 0.000 2.110 57 E HA -0.184 4.179 4.350 0.022 0.000 0.193 57 E C 1.746 178.387 176.600 0.067 0.000 0.988 57 E CA 1.293 57.731 56.400 0.064 0.000 0.804 57 E CB -0.020 29.710 29.700 0.049 0.000 0.745 57 E HN 0.456 nan 8.360 nan 0.000 0.458 58 D N 0.367 120.813 120.400 0.076 0.000 2.123 58 D HA -0.105 4.548 4.640 0.022 0.000 0.200 58 D C 2.136 178.479 176.300 0.071 0.000 0.976 58 D CA 0.838 54.885 54.000 0.078 0.000 0.831 58 D CB 0.068 40.930 40.800 0.103 0.000 0.974 58 D HN 0.042 nan 8.370 nan 0.000 0.469 59 V N 1.922 121.884 119.914 0.080 0.000 2.407 59 V HA -0.205 3.928 4.120 0.022 0.000 0.248 59 V C 1.879 178.000 176.094 0.044 0.000 1.055 59 V CA 1.606 63.944 62.300 0.063 0.000 1.049 59 V CB -0.392 31.487 31.823 0.093 0.000 0.662 59 V HN 0.021 nan 8.190 nan 0.000 0.455 60 D N -0.096 120.369 120.400 0.109 0.000 2.144 60 D HA -0.135 4.518 4.640 0.022 0.000 0.199 60 D C 2.270 178.609 176.300 0.064 0.000 0.984 60 D CA 1.120 55.215 54.000 0.159 0.000 0.834 60 D CB -0.115 40.784 40.800 0.165 0.000 0.955 60 D HN 0.408 nan 8.370 nan 0.000 0.465 61 K N 0.337 120.760 120.400 0.038 0.000 2.025 61 K HA 0.010 4.343 4.320 0.022 0.000 0.207 61 K C 2.109 178.704 176.600 -0.007 0.000 1.049 61 K CA 1.027 57.321 56.287 0.012 0.000 0.933 61 K CB -0.040 32.463 32.500 0.005 0.000 0.714 61 K HN 0.002 nan 8.250 nan 0.000 0.438 62 A N 0.874 123.688 122.820 -0.010 0.000 1.902 62 A HA -0.135 4.198 4.320 0.022 0.000 0.217 62 A C 2.317 179.858 177.584 -0.072 0.000 1.181 62 A CA 1.489 53.506 52.037 -0.034 0.000 0.623 62 A CB -0.703 18.286 19.000 -0.018 0.000 0.818 62 A HN 0.083 nan 8.150 nan 0.000 0.443 63 V N -0.213 119.623 119.914 -0.130 0.000 2.407 63 V HA -0.260 3.873 4.120 0.022 0.000 0.248 63 V C 2.490 178.522 176.094 -0.102 0.000 1.055 63 V CA 2.425 64.600 62.300 -0.209 0.000 1.049 63 V CB -0.631 30.852 31.823 -0.567 0.000 0.662 63 V HN 0.546 nan 8.190 nan 0.000 0.455 64 K N 0.058 120.429 120.400 -0.049 0.000 2.057 64 K HA -0.097 4.236 4.320 0.022 0.000 0.207 64 K C 2.270 178.870 176.600 -0.001 0.000 1.049 64 K CA 1.475 57.761 56.287 -0.002 0.000 0.931 64 K CB -0.469 32.041 32.500 0.016 0.000 0.714 64 K HN 0.472 nan 8.250 nan 0.000 0.440 65 A N 0.967 123.776 122.820 -0.018 0.000 1.877 65 A HA -0.128 4.205 4.320 0.022 0.000 0.216 65 A C 2.320 179.896 177.584 -0.012 0.000 1.186 65 A CA 1.921 53.945 52.037 -0.021 0.000 0.620 65 A CB -0.899 18.073 19.000 -0.046 0.000 0.822 65 A HN 0.352 nan 8.150 nan 0.000 0.443 66 A N -0.052 122.752 122.820 -0.026 0.000 1.865 66 A HA -0.187 4.146 4.320 0.022 0.000 0.217 66 A C 2.185 179.806 177.584 0.063 0.000 1.191 66 A CA 2.327 54.357 52.037 -0.012 0.000 0.623 66 A CB -0.526 18.444 19.000 -0.051 0.000 0.826 66 A HN 0.473 nan 8.150 nan 0.000 0.444 67 R N 0.324 120.855 120.500 0.051 0.000 2.103 67 R HA -0.109 4.244 4.340 0.022 0.000 0.242 67 R C 2.100 178.495 176.300 0.159 0.000 1.142 67 R CA 2.198 58.367 56.100 0.115 0.000 0.960 67 R CB -1.020 29.323 30.300 0.070 0.000 0.858 67 R HN 0.418 nan 8.270 nan 0.000 0.439 68 A N 0.151 123.029 122.820 0.097 0.000 1.877 68 A HA -0.017 4.316 4.320 0.022 0.000 0.216 68 A C 2.357 180.005 177.584 0.108 0.000 1.186 68 A CA 1.823 53.911 52.037 0.085 0.000 0.620 68 A CB -1.100 17.928 19.000 0.048 0.000 0.822 68 A HN 0.498 nan 8.150 nan 0.000 0.443 69 A N -2.250 120.637 122.820 0.113 0.000 2.121 69 A HA 0.071 4.404 4.320 0.022 0.000 0.218 69 A C 1.707 179.444 177.584 0.256 0.000 1.154 69 A CA 1.212 53.330 52.037 0.136 0.000 0.679 69 A CB -0.555 18.478 19.000 0.055 0.000 0.795 69 A HN 0.608 nan 8.150 nan 0.000 0.458 70 F N 0.280 120.305 119.950 0.125 0.000 2.765 70 F HA 0.199 4.739 4.527 0.022 0.000 0.302 70 F C 0.643 176.520 175.800 0.128 0.000 1.111 70 F CA -0.238 57.865 58.000 0.171 0.000 1.359 70 F CB 0.181 39.264 39.000 0.139 0.000 1.097 70 F HN 0.098 nan 8.300 nan 0.000 0.577 71 Q N 1.725 121.556 119.800 0.052 0.000 2.337 71 Q HA 0.060 4.413 4.340 0.022 0.000 0.270 71 Q C -0.203 175.740 176.000 -0.095 0.000 1.002 71 Q CA -0.281 55.515 55.803 -0.012 0.000 0.888 71 Q CB 1.043 29.804 28.738 0.040 0.000 1.222 71 Q HN 0.260 nan 8.270 nan 0.000 0.400 72 L N 1.762 122.918 121.223 -0.111 0.000 2.578 72 L HA 0.085 4.438 4.340 0.022 0.000 0.279 72 L C 1.227 178.065 176.870 -0.054 0.000 1.227 72 L CA 2.184 56.961 54.840 -0.106 0.000 0.900 72 L CB -0.008 42.011 42.059 -0.067 0.000 1.144 72 L HN 0.938 nan 8.230 nan 0.000 0.496 73 G N 1.942 110.711 108.800 -0.053 0.000 2.195 73 G HA2 -0.277 3.696 3.960 0.022 0.000 0.246 73 G HA3 -0.277 3.696 3.960 0.022 0.000 0.246 73 G C 0.320 175.217 174.900 -0.005 0.000 0.984 73 G CA 0.318 45.404 45.100 -0.024 0.000 0.633 73 G HN 1.111 nan 8.290 nan 0.000 0.525 74 S N 0.455 116.156 115.700 0.002 0.000 2.600 74 S HA 0.587 5.070 4.470 0.022 0.000 0.265 74 S C -0.675 173.969 174.600 0.073 0.000 1.325 74 S CA -0.374 57.854 58.200 0.047 0.000 1.002 74 S CB 1.902 65.147 63.200 0.076 0.000 0.921 74 S HN 0.003 nan 8.310 nan 0.000 0.554 75 P HA -0.135 nan 4.420 nan 0.000 0.215 75 P C 1.266 178.689 177.300 0.205 0.000 1.157 75 P CA 1.303 64.483 63.100 0.132 0.000 0.874 75 P CB -0.106 31.683 31.700 0.148 0.000 0.790 76 W N 0.056 121.382 121.300 0.044 0.000 2.388 76 W HA -0.147 4.526 4.660 0.022 0.000 0.294 76 W C 1.719 178.259 176.519 0.035 0.000 1.212 76 W CA 0.826 58.213 57.345 0.071 0.000 1.271 76 W CB -0.117 29.409 29.460 0.109 0.000 1.126 76 W HN -0.143 nan 8.180 nan 0.000 0.535 77 R N 0.243 120.745 120.500 0.004 0.000 2.119 77 R HA -0.027 4.326 4.340 0.022 0.000 0.222 77 R C 2.096 178.311 176.300 -0.142 0.000 1.088 77 R CA 0.870 56.872 56.100 -0.164 0.000 0.984 77 R CB -0.587 29.599 30.300 -0.190 0.000 0.884 77 R HN 0.305 nan 8.270 nan 0.000 0.447 78 R N -0.255 120.200 120.500 -0.076 0.000 2.161 78 R HA 0.160 4.513 4.340 0.022 0.000 0.213 78 R C 1.133 177.389 176.300 -0.075 0.000 1.055 78 R CA -0.168 55.894 56.100 -0.063 0.000 0.996 78 R CB -0.015 30.266 30.300 -0.031 0.000 0.901 78 R HN 0.097 nan 8.270 nan 0.000 0.456 79 M N 2.204 121.755 119.600 -0.082 0.000 2.240 79 M HA -0.090 4.403 4.480 0.022 0.000 0.346 79 M C -0.669 175.570 176.300 -0.102 0.000 1.236 79 M CA 0.620 55.874 55.300 -0.078 0.000 0.986 79 M CB 0.469 33.036 32.600 -0.054 0.000 1.786 79 M HN -0.041 nan 8.290 nan 0.000 0.457 80 D N 3.864 124.232 120.400 -0.053 0.000 2.414 80 D HA 0.109 4.762 4.640 0.022 0.000 0.242 80 D C 0.758 177.040 176.300 -0.030 0.000 1.129 80 D CA 0.482 54.462 54.000 -0.033 0.000 0.885 80 D CB 1.197 41.992 40.800 -0.008 0.000 1.198 80 D HN 0.769 nan 8.370 nan 0.000 0.437 81 A N 2.351 125.148 122.820 -0.039 0.000 1.940 81 A HA -0.210 4.123 4.320 0.022 0.000 0.219 81 A C 2.111 179.695 177.584 0.001 0.000 1.176 81 A CA 2.093 54.109 52.037 -0.035 0.000 0.631 81 A CB -0.500 18.496 19.000 -0.007 0.000 0.814 81 A HN 0.594 nan 8.150 nan 0.000 0.446 82 S N -0.987 114.726 115.700 0.021 0.000 2.382 82 S HA -0.249 4.234 4.470 0.022 0.000 0.228 82 S C 1.853 176.482 174.600 0.048 0.000 1.027 82 S CA 1.551 59.769 58.200 0.031 0.000 0.991 82 S CB -0.744 62.475 63.200 0.032 0.000 0.823 82 S HN 0.735 nan 8.310 nan 0.000 0.469 83 H N 1.842 120.889 119.070 -0.039 0.000 2.423 83 H HA 0.182 4.751 4.556 0.022 0.000 0.297 83 H C 2.286 177.593 175.328 -0.036 0.000 1.075 83 H CA 1.471 57.495 56.048 -0.040 0.000 1.342 83 H CB -0.097 29.639 29.762 -0.044 0.000 1.395 83 H HN 0.341 nan 8.280 nan 0.000 0.530 84 R N -0.801 119.684 120.500 -0.026 0.000 2.105 84 R HA -0.088 4.265 4.340 0.022 0.000 0.239 84 R C 2.524 178.832 176.300 0.014 0.000 1.135 84 R CA 1.062 57.159 56.100 -0.004 0.000 0.967 84 R CB -0.498 29.789 30.300 -0.022 0.000 0.861 84 R HN 0.421 nan 8.270 nan 0.000 0.442 85 G N 1.196 109.995 108.800 -0.002 0.000 2.421 85 G HA2 -0.240 3.733 3.960 0.022 0.000 0.216 85 G HA3 -0.240 3.733 3.960 0.022 0.000 0.216 85 G C 1.424 176.298 174.900 -0.044 0.000 1.171 85 G CA 0.225 45.330 45.100 0.008 0.000 0.775 85 G HN 0.126 nan 8.290 nan 0.000 0.543 86 R N 0.224 120.648 120.500 -0.126 0.000 2.083 86 R HA 0.016 4.369 4.340 0.022 0.000 0.237 86 R C 2.680 178.839 176.300 -0.236 0.000 1.137 86 R CA 0.808 56.796 56.100 -0.187 0.000 0.951 86 R CB -1.170 28.956 30.300 -0.290 0.000 0.851 86 R HN 0.399 nan 8.270 nan 0.000 0.434 87 L N 0.553 121.553 121.223 -0.372 0.000 2.042 87 L HA -0.181 4.173 4.340 0.022 0.000 0.210 87 L C 2.570 179.336 176.870 -0.173 0.000 1.076 87 L CA 1.136 55.695 54.840 -0.468 0.000 0.749 87 L CB -0.474 41.054 42.059 -0.883 0.000 0.893 87 L HN 0.134 nan 8.230 nan 0.000 0.432 88 L N -0.506 120.754 121.223 0.062 0.000 2.093 88 L HA -0.193 4.160 4.340 0.022 0.000 0.208 88 L C 2.354 179.304 176.870 0.134 0.000 1.085 88 L CA 0.950 55.929 54.840 0.233 0.000 0.755 88 L CB -0.490 41.712 42.059 0.239 0.000 0.904 88 L HN 0.351 nan 8.230 nan 0.000 0.435 89 N N -0.342 118.391 118.700 0.056 0.000 2.331 89 N HA -0.148 4.605 4.740 0.022 0.000 0.180 89 N C 1.916 177.446 175.510 0.034 0.000 1.019 89 N CA 0.810 53.885 53.050 0.041 0.000 0.881 89 N CB -0.020 38.473 38.487 0.009 0.000 0.972 89 N HN 0.285 nan 8.380 nan 0.000 0.435 90 R N 0.588 121.092 120.500 0.007 0.000 2.073 90 R HA -0.040 4.313 4.340 0.022 0.000 0.229 90 R C 2.090 178.425 176.300 0.058 0.000 1.120 90 R CA 0.548 56.652 56.100 0.007 0.000 0.967 90 R CB -0.341 29.929 30.300 -0.050 0.000 0.862 90 R HN 0.093 nan 8.270 nan 0.000 0.436 91 L N 1.004 122.296 121.223 0.115 0.000 2.042 91 L HA -0.138 4.215 4.340 0.022 0.000 0.210 91 L C 2.210 179.152 176.870 0.120 0.000 1.076 91 L CA 2.236 57.177 54.840 0.168 0.000 0.749 91 L CB -0.733 41.499 42.059 0.288 0.000 0.893 91 L HN 0.178 nan 8.230 nan 0.000 0.432 92 A N -0.893 121.994 122.820 0.111 0.000 1.933 92 A HA -0.223 4.110 4.320 0.022 0.000 0.218 92 A C 1.998 179.628 177.584 0.077 0.000 1.175 92 A CA 1.901 53.994 52.037 0.093 0.000 0.628 92 A CB -0.821 18.233 19.000 0.091 0.000 0.814 92 A HN 0.567 nan 8.150 nan 0.000 0.444 93 D N 0.095 120.536 120.400 0.067 0.000 2.117 93 D HA -0.097 4.556 4.640 0.022 0.000 0.198 93 D C 1.985 178.327 176.300 0.070 0.000 0.982 93 D CA 1.047 55.082 54.000 0.059 0.000 0.828 93 D CB -0.351 40.476 40.800 0.045 0.000 0.967 93 D HN 0.472 nan 8.370 nan 0.000 0.464 94 L N 0.542 121.811 121.223 0.076 0.000 2.046 94 L HA -0.129 4.224 4.340 0.022 0.000 0.208 94 L C 2.578 179.522 176.870 0.123 0.000 1.077 94 L CA 0.767 55.660 54.840 0.089 0.000 0.747 94 L CB -0.362 41.743 42.059 0.077 0.000 0.896 94 L HN 0.008 nan 8.230 nan 0.000 0.432 95 I N -0.155 120.487 120.570 0.119 0.000 2.226 95 I HA -0.302 3.881 4.170 0.022 0.000 0.245 95 I C 2.621 178.806 176.117 0.114 0.000 1.100 95 I CA 1.495 62.876 61.300 0.135 0.000 1.374 95 I CB -0.278 37.785 38.000 0.106 0.000 1.057 95 I HN 0.360 nan 8.210 nan 0.000 0.413 96 E N 1.226 121.476 120.200 0.084 0.000 2.106 96 E HA -0.255 4.108 4.350 0.022 0.000 0.192 96 E C 2.386 179.042 176.600 0.092 0.000 0.984 96 E CA 0.836 57.273 56.400 0.063 0.000 0.806 96 E CB 0.006 29.735 29.700 0.049 0.000 0.750 96 E HN 0.267 nan 8.360 nan 0.000 0.458 97 R N 0.416 120.979 120.500 0.104 0.000 2.083 97 R HA -0.138 4.215 4.340 0.022 0.000 0.237 97 R C 0.548 176.938 176.300 0.149 0.000 1.137 97 R CA 1.882 58.050 56.100 0.112 0.000 0.951 97 R CB -0.029 30.330 30.300 0.099 0.000 0.851 97 R HN 0.151 nan 8.270 nan 0.000 0.434 98 D N -0.064 120.449 120.400 0.188 0.000 2.395 98 D HA -0.000 4.653 4.640 0.022 0.000 0.226 98 D C 1.161 177.611 176.300 0.250 0.000 1.146 98 D CA -0.005 54.147 54.000 0.253 0.000 0.830 98 D CB 0.177 41.200 40.800 0.371 0.000 0.958 98 D HN 0.274 nan 8.370 nan 0.000 0.501 99 R N 0.545 121.157 120.500 0.187 0.000 2.096 99 R HA -0.140 4.213 4.340 0.022 0.000 0.240 99 R C 1.518 177.974 176.300 0.261 0.000 1.139 99 R CA 1.621 57.797 56.100 0.126 0.000 0.952 99 R CB -0.052 30.247 30.300 -0.002 0.000 0.854 99 R HN -0.021 nan 8.270 nan 0.000 0.436 100 T N -0.015 114.786 114.554 0.413 0.000 2.746 100 T HA -0.193 4.170 4.350 0.022 0.000 0.267 100 T C 1.338 176.286 174.700 0.414 0.000 1.039 100 T CA 1.528 63.933 62.100 0.508 0.000 1.142 100 T CB -0.465 68.632 68.868 0.381 0.000 0.866 100 T HN 0.406 nan 8.240 nan 0.000 0.444 101 Y N 1.764 122.178 120.300 0.189 0.000 2.133 101 Y HA 0.025 4.589 4.550 0.023 0.000 0.287 101 Y C 1.981 177.929 175.900 0.079 0.000 1.134 101 Y CA 0.950 59.109 58.100 0.099 0.000 1.133 101 Y CB -0.639 37.824 38.460 0.004 0.000 0.987 101 Y HN 0.096 nan 8.280 nan 0.000 0.502 102 L N -0.095 121.042 121.223 -0.143 0.000 2.131 102 L HA -0.199 4.154 4.340 0.022 0.000 0.210 102 L C 2.742 179.569 176.870 -0.071 0.000 1.092 102 L CA 1.103 55.813 54.840 -0.218 0.000 0.759 102 L CB -0.909 41.147 42.059 -0.006 0.000 0.903 102 L HN 0.391 nan 8.230 nan 0.000 0.435 103 A N -0.071 122.803 122.820 0.089 0.000 1.930 103 A HA -0.136 4.197 4.320 0.022 0.000 0.217 103 A C 2.517 180.275 177.584 0.290 0.000 1.175 103 A CA 1.633 53.762 52.037 0.153 0.000 0.627 103 A CB -0.558 18.571 19.000 0.215 0.000 0.815 103 A HN 0.399 nan 8.150 nan 0.000 0.443 104 A N -0.553 122.504 122.820 0.395 0.000 1.873 104 A HA 0.010 4.343 4.320 0.022 0.000 0.215 104 A C 2.100 179.798 177.584 0.190 0.000 1.186 104 A CA 1.635 53.923 52.037 0.418 0.000 0.616 104 A CB -0.660 18.497 19.000 0.261 0.000 0.823 104 A HN 0.617 nan 8.150 nan 0.000 0.442 105 L N -0.022 121.150 121.223 -0.085 0.000 2.131 105 L HA -0.139 4.214 4.340 0.022 0.000 0.210 105 L C 2.215 179.045 176.870 -0.067 0.000 1.092 105 L CA 2.616 57.361 54.840 -0.160 0.000 0.759 105 L CB -0.576 41.214 42.059 -0.448 0.000 0.903 105 L HN 0.530 nan 8.230 nan 0.000 0.435 106 E N -1.277 118.893 120.200 -0.050 0.000 2.110 106 E HA -0.178 4.185 4.350 0.022 0.000 0.193 106 E C 2.000 178.574 176.600 -0.044 0.000 0.988 106 E CA 1.856 58.235 56.400 -0.035 0.000 0.804 106 E CB -0.218 29.469 29.700 -0.022 0.000 0.745 106 E HN 0.471 nan 8.360 nan 0.000 0.458 107 T N 0.479 115.004 114.554 -0.047 0.000 2.812 107 T HA -0.087 4.276 4.350 0.022 0.000 0.264 107 T C 1.677 176.294 174.700 -0.139 0.000 1.042 107 T CA 1.018 63.016 62.100 -0.169 0.000 1.140 107 T CB -0.307 68.322 68.868 -0.398 0.000 0.870 107 T HN 0.118 nan 8.240 nan 0.000 0.445 108 L N 1.274 122.506 121.223 0.016 0.000 2.042 108 L HA -0.089 4.264 4.340 0.022 0.000 0.210 108 L C 1.990 178.872 176.870 0.018 0.000 1.076 108 L CA 1.851 56.753 54.840 0.103 0.000 0.749 108 L CB -0.349 41.804 42.059 0.156 0.000 0.893 108 L HN 0.090 nan 8.230 nan 0.000 0.432 109 D N -1.716 118.679 120.400 -0.008 0.000 2.240 109 D HA -0.128 4.525 4.640 0.022 0.000 0.206 109 D C 1.884 178.163 176.300 -0.036 0.000 0.963 109 D CA 0.659 54.649 54.000 -0.017 0.000 0.863 109 D CB 0.059 40.853 40.800 -0.010 0.000 0.973 109 D HN 0.396 nan 8.370 nan 0.000 0.501 110 N N -0.731 117.937 118.700 -0.054 0.000 2.439 110 N HA -0.012 4.741 4.740 0.022 0.000 0.176 110 N C 1.375 176.815 175.510 -0.117 0.000 1.029 110 N CA 1.577 54.584 53.050 -0.071 0.000 0.886 110 N CB 0.876 39.325 38.487 -0.063 0.000 1.057 110 N HN 0.245 nan 8.380 nan 0.000 0.437 111 G N 1.475 110.194 108.800 -0.136 0.000 2.238 111 G HA2 -0.262 3.711 3.960 0.022 0.000 0.217 111 G HA3 -0.262 3.711 3.960 0.022 0.000 0.217 111 G C -0.008 174.788 174.900 -0.174 0.000 0.996 111 G CA 0.410 45.408 45.100 -0.171 0.000 0.632 111 G HN 0.688 nan 8.290 nan 0.000 0.503 112 K N 1.067 121.368 120.400 -0.166 0.000 2.336 112 K HA 0.455 4.788 4.320 0.022 0.000 0.262 112 K C -2.714 173.810 176.600 -0.127 0.000 0.992 112 K CA -1.131 55.066 56.287 -0.150 0.000 0.927 112 K CB 0.448 32.845 32.500 -0.172 0.000 0.956 112 K HN 0.095 nan 8.250 nan 0.000 0.495 113 P HA -0.075 nan 4.420 nan 0.000 0.268 113 P C -0.350 176.945 177.300 -0.009 0.000 1.204 113 P CA -0.133 62.948 63.100 -0.031 0.000 0.768 113 P CB 0.183 31.906 31.700 0.038 0.000 0.842 114 Y N 4.514 124.720 120.300 -0.156 0.000 2.151 114 Y HA -0.267 4.295 4.550 0.021 0.000 0.284 114 Y C 1.787 177.733 175.900 0.076 0.000 1.166 114 Y CA 1.814 59.875 58.100 -0.064 0.000 1.163 114 Y CB -0.871 37.577 38.460 -0.021 0.000 0.974 114 Y HN 0.077 nan 8.280 nan 0.000 0.511 115 V N 0.364 120.290 119.914 0.020 0.000 2.392 115 V HA -0.324 3.809 4.120 0.022 0.000 0.249 115 V C 2.292 178.399 176.094 0.023 0.000 1.059 115 V CA 1.747 64.044 62.300 -0.006 0.000 1.051 115 V CB -0.622 31.253 31.823 0.088 0.000 0.658 115 V HN 0.443 nan 8.190 nan 0.000 0.455 116 I N -0.185 120.417 120.570 0.054 0.000 2.406 116 I HA -0.080 4.103 4.170 0.022 0.000 0.249 116 I C 2.521 178.683 176.117 0.076 0.000 1.122 116 I CA 1.207 62.577 61.300 0.117 0.000 1.431 116 I CB -1.316 36.786 38.000 0.170 0.000 1.087 116 I HN 0.279 nan 8.210 nan 0.000 0.424 117 S N 0.479 116.180 115.700 0.002 0.000 2.368 117 S HA -0.214 4.269 4.470 0.022 0.000 0.225 117 S C 2.025 176.596 174.600 -0.048 0.000 1.030 117 S CA 1.261 59.452 58.200 -0.015 0.000 0.999 117 S CB -0.527 62.657 63.200 -0.027 0.000 0.844 117 S HN 0.406 nan 8.310 nan 0.000 0.459 118 Y N 1.922 122.067 120.300 -0.258 0.000 2.109 118 Y HA -0.009 4.553 4.550 0.021 0.000 0.285 118 Y C 2.011 177.854 175.900 -0.096 0.000 1.131 118 Y CA 1.395 59.349 58.100 -0.244 0.000 1.121 118 Y CB -0.351 37.821 38.460 -0.479 0.000 0.987 118 Y HN 0.104 nan 8.280 nan 0.000 0.495 119 L N -1.512 119.759 121.223 0.081 0.000 2.109 119 L HA -0.133 4.220 4.340 0.022 0.000 0.207 119 L C 1.967 178.859 176.870 0.036 0.000 1.086 119 L CA 0.762 55.644 54.840 0.070 0.000 0.760 119 L CB -0.505 41.633 42.059 0.132 0.000 0.910 119 L HN 0.138 nan 8.230 nan 0.000 0.437 120 V N -0.524 119.435 119.914 0.075 0.000 2.423 120 V HA -0.128 4.005 4.120 0.022 0.000 0.233 120 V C 1.791 177.934 176.094 0.081 0.000 1.067 120 V CA 1.382 63.751 62.300 0.115 0.000 1.073 120 V CB -0.427 31.539 31.823 0.238 0.000 0.715 120 V HN 0.242 nan 8.190 nan 0.000 0.485 121 D N 0.529 120.986 120.400 0.094 0.000 2.127 121 D HA -0.227 4.426 4.640 0.022 0.000 0.190 121 D C 2.007 178.307 176.300 0.000 0.000 1.000 121 D CA 1.720 55.755 54.000 0.057 0.000 0.839 121 D CB -0.271 40.575 40.800 0.076 0.000 0.955 121 D HN 0.214 nan 8.370 nan 0.000 0.446 122 L N 0.044 121.239 121.223 -0.045 0.000 2.141 122 L HA -0.126 4.227 4.340 0.022 0.000 0.209 122 L C 1.852 178.681 176.870 -0.068 0.000 1.094 122 L CA 1.093 55.887 54.840 -0.076 0.000 0.763 122 L CB -0.193 41.771 42.059 -0.158 0.000 0.908 122 L HN 0.023 nan 8.230 nan 0.000 0.437 123 D N -0.333 120.023 120.400 -0.073 0.000 2.117 123 D HA -0.219 4.434 4.640 0.022 0.000 0.197 123 D C 2.231 178.544 176.300 0.020 0.000 0.987 123 D CA 1.482 55.461 54.000 -0.035 0.000 0.829 123 D CB 0.057 40.844 40.800 -0.022 0.000 0.961 123 D HN 0.200 nan 8.370 nan 0.000 0.460 124 M N -0.510 119.113 119.600 0.038 0.000 2.296 124 M HA -0.079 4.414 4.480 0.022 0.000 0.265 124 M C 2.096 178.461 176.300 0.107 0.000 1.064 124 M CA 0.467 55.814 55.300 0.078 0.000 1.109 124 M CB 0.124 32.767 32.600 0.071 0.000 1.396 124 M HN -0.008 nan 8.290 nan 0.000 0.430 125 V N 0.986 120.941 119.914 0.069 0.000 2.270 125 V HA -0.242 3.891 4.120 0.022 0.000 0.245 125 V C 2.317 178.474 176.094 0.105 0.000 1.043 125 V CA 1.600 63.952 62.300 0.086 0.000 1.014 125 V CB -0.575 31.275 31.823 0.044 0.000 0.645 125 V HN 0.430 nan 8.190 nan 0.000 0.447 126 L N -0.435 120.831 121.223 0.072 0.000 2.012 126 L HA -0.242 4.111 4.340 0.022 0.000 0.210 126 L C 2.599 179.529 176.870 0.100 0.000 1.073 126 L CA 1.895 56.780 54.840 0.075 0.000 0.748 126 L CB -0.681 41.403 42.059 0.041 0.000 0.891 126 L HN 0.270 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 -0.212 4.121 4.320 0.022 0.000 0.206 127 K C 2.304 178.997 176.600 0.156 0.000 1.049 127 K CA 1.591 57.941 56.287 0.105 0.000 0.933 127 K CB -0.462 32.085 32.500 0.078 0.000 0.717 127 K HN 0.421 nan 8.250 nan 0.000 0.442 128 C N 1.201 120.612 119.300 0.185 0.000 2.462 128 C HA -0.063 4.410 4.460 0.022 0.000 0.278 128 C C 2.443 177.647 174.990 0.357 0.000 1.253 128 C CA 0.586 59.765 59.018 0.269 0.000 1.713 128 C CB -0.936 27.000 27.740 0.326 0.000 2.049 128 C HN 0.395 nan 8.230 nan 0.000 0.477 129 L N 0.423 121.808 121.223 0.270 0.000 2.012 129 L HA -0.154 4.199 4.340 0.022 0.000 0.210 129 L C 3.035 180.036 176.870 0.219 0.000 1.073 129 L CA 1.944 56.932 54.840 0.247 0.000 0.748 129 L CB -0.779 41.385 42.059 0.175 0.000 0.891 129 L HN 0.364 nan 8.230 nan 0.000 0.431 130 R N -1.289 119.311 120.500 0.166 0.000 2.120 130 R HA -0.205 4.148 4.340 0.022 0.000 0.234 130 R C 2.272 178.626 176.300 0.089 0.000 1.123 130 R CA 1.511 57.678 56.100 0.111 0.000 0.975 130 R CB -0.479 29.871 30.300 0.084 0.000 0.866 130 R HN 0.297 nan 8.270 nan 0.000 0.446 131 Y N 0.255 120.561 120.300 0.011 0.000 2.114 131 Y HA -0.278 4.286 4.550 0.023 0.000 0.284 131 Y C 1.701 177.538 175.900 -0.105 0.000 1.143 131 Y CA 1.506 59.547 58.100 -0.097 0.000 1.135 131 Y CB -0.515 37.849 38.460 -0.158 0.000 0.980 131 Y HN -0.011 nan 8.280 nan 0.000 0.499 132 Y N -0.183 120.182 120.300 0.109 0.000 2.421 132 Y HA -0.122 4.441 4.550 0.021 0.000 0.292 132 Y C 2.574 178.499 175.900 0.040 0.000 1.136 132 Y CA 0.764 58.918 58.100 0.091 0.000 1.255 132 Y CB -0.515 38.056 38.460 0.184 0.000 0.991 132 Y HN 0.294 nan 8.280 nan 0.000 0.552 133 A N 0.049 122.951 122.820 0.137 0.000 1.972 133 A HA -0.154 4.179 4.320 0.022 0.000 0.219 133 A C 2.519 180.101 177.584 -0.004 0.000 1.169 133 A CA 1.729 53.818 52.037 0.086 0.000 0.635 133 A CB -1.372 17.664 19.000 0.061 0.000 0.810 133 A HN 0.472 nan 8.150 nan 0.000 0.446 134 G N -1.968 106.750 108.800 -0.138 0.000 2.422 134 G HA2 -0.231 3.742 3.960 0.022 0.000 0.218 134 G HA3 -0.231 3.742 3.960 0.022 0.000 0.218 134 G C 1.377 176.115 174.900 -0.269 0.000 1.140 134 G CA 0.760 45.701 45.100 -0.265 0.000 0.775 134 G HN 0.684 nan 8.290 nan 0.000 0.545 135 W N 0.906 122.079 121.300 -0.213 0.000 2.519 135 W HA 0.215 4.888 4.660 0.021 0.000 0.266 135 W C 2.845 179.338 176.519 -0.044 0.000 1.253 135 W CA 0.343 57.604 57.345 -0.140 0.000 1.274 135 W CB 0.183 29.567 29.460 -0.126 0.000 1.114 135 W HN 0.283 nan 8.180 nan 0.000 0.596 136 A N 1.436 124.382 122.820 0.209 0.000 1.923 136 A HA -0.338 3.995 4.320 0.022 0.000 0.222 136 A C 1.362 179.011 177.584 0.108 0.000 1.258 136 A CA 2.627 54.748 52.037 0.141 0.000 0.670 136 A CB -1.033 18.018 19.000 0.086 0.000 0.834 136 A HN 0.392 nan 8.150 nan 0.000 0.470 137 D N -2.314 118.129 120.400 0.072 0.000 2.501 137 D HA 0.235 4.888 4.640 0.022 0.000 0.226 137 D C 0.604 176.909 176.300 0.009 0.000 1.198 137 D CA 0.073 54.099 54.000 0.043 0.000 0.830 137 D CB 0.115 40.930 40.800 0.025 0.000 1.014 137 D HN 0.517 nan 8.370 nan 0.000 0.496 138 K N -0.796 119.623 120.400 0.032 0.000 2.438 138 K HA 0.071 4.404 4.320 0.022 0.000 0.206 138 K C -0.383 176.074 176.600 -0.239 0.000 1.081 138 K CA -0.463 55.735 56.287 -0.149 0.000 1.053 138 K CB 0.656 33.140 32.500 -0.028 0.000 0.908 138 K HN -0.028 nan 8.250 nan 0.000 0.556 139 Y N 3.088 123.329 120.300 -0.098 0.000 2.636 139 Y HA 0.104 4.667 4.550 0.022 0.000 0.334 139 Y C -0.425 175.378 175.900 -0.161 0.000 1.286 139 Y CA -1.225 56.827 58.100 -0.080 0.000 1.688 139 Y CB -1.090 37.372 38.460 0.003 0.000 1.662 139 Y HN 0.095 nan 8.280 nan 0.000 0.465 140 H N 0.710 119.694 119.070 -0.143 0.000 2.852 140 H HA 0.337 4.906 4.556 0.022 0.000 0.362 140 H C 0.993 175.882 175.328 -0.732 0.000 1.122 140 H CA 0.483 56.358 56.048 -0.289 0.000 1.419 140 H CB 0.693 30.362 29.762 -0.155 0.000 1.401 140 H HN 0.682 nan 8.280 nan 0.000 0.609 141 G N 0.499 109.012 108.800 -0.478 0.000 2.630 141 G HA2 0.503 4.477 3.960 0.022 0.000 0.223 141 G HA3 0.503 4.477 3.960 0.022 0.000 0.223 141 G C -0.773 173.975 174.900 -0.254 0.000 1.434 141 G CA -0.830 43.874 45.100 -0.659 0.000 1.057 141 G HN 0.542 nan 8.290 nan 0.000 0.570 142 K N -0.752 119.598 120.400 -0.084 0.000 2.508 142 K HA 0.504 4.837 4.320 0.022 0.000 0.260 142 K C -1.267 175.376 176.600 0.070 0.000 0.949 142 K CA -0.706 55.574 56.287 -0.011 0.000 0.834 142 K CB 2.248 34.747 32.500 -0.001 0.000 1.365 142 K HN 0.599 nan 8.250 nan 0.000 0.437 143 T N -0.615 113.992 114.554 0.089 0.000 2.758 143 T HA 0.585 4.948 4.350 0.022 0.000 0.285 143 T C -0.017 174.763 174.700 0.133 0.000 0.981 143 T CA -0.698 61.510 62.100 0.180 0.000 0.965 143 T CB 0.074 69.092 68.868 0.250 0.000 0.927 143 T HN 0.355 nan 8.240 nan 0.000 0.448 144 I N 5.233 125.875 120.570 0.120 0.000 2.354 144 I HA 0.333 4.516 4.170 0.022 0.000 0.292 144 I C -1.773 174.411 176.117 0.113 0.000 0.989 144 I CA -2.749 58.602 61.300 0.085 0.000 1.188 144 I CB 2.238 40.260 38.000 0.036 0.000 1.342 144 I HN 0.478 nan 8.210 nan 0.000 0.457 145 P HA 0.141 nan 4.420 nan 0.000 0.226 145 P C 0.063 177.416 177.300 0.088 0.000 1.783 145 P CA 0.140 63.297 63.100 0.094 0.000 0.980 145 P CB 0.079 31.818 31.700 0.066 0.000 1.967 146 I N 0.881 121.516 120.570 0.109 0.000 3.060 146 I HA 0.042 4.225 4.170 0.022 0.000 0.285 146 I C 0.461 176.661 176.117 0.139 0.000 1.190 146 I CA -0.094 61.273 61.300 0.112 0.000 1.363 146 I CB 0.687 38.757 38.000 0.117 0.000 1.396 146 I HN 0.016 nan 8.210 nan 0.000 0.607 147 D N 3.602 124.085 120.400 0.138 0.000 2.371 147 D HA 0.417 5.070 4.640 0.022 0.000 0.242 147 D C 0.334 176.759 176.300 0.210 0.000 1.218 147 D CA 1.002 55.083 54.000 0.134 0.000 0.945 147 D CB 0.497 41.364 40.800 0.111 0.000 1.137 147 D HN 0.922 nan 8.370 nan 0.000 0.464 148 G N 0.543 109.398 108.800 0.091 0.000 2.877 148 G HA2 -0.215 3.758 3.960 0.022 0.000 0.279 148 G HA3 -0.215 3.758 3.960 0.022 0.000 0.279 148 G C -0.653 174.050 174.900 -0.329 0.000 1.431 148 G CA -0.567 44.490 45.100 -0.072 0.000 0.883 148 G HN 0.530 nan 8.290 nan 0.000 0.547 149 D N 0.964 120.932 120.400 -0.720 0.000 2.600 149 D HA 0.446 5.099 4.640 0.022 0.000 0.226 149 D C 0.094 175.854 176.300 -0.900 0.000 1.119 149 D CA 1.016 54.638 54.000 -0.631 0.000 1.051 149 D CB -0.603 39.931 40.800 -0.444 0.000 1.106 149 D HN 0.304 nan 8.370 nan 0.000 0.491 150 F N 0.323 120.319 119.950 0.077 0.000 2.613 150 F HA 0.389 4.929 4.527 0.022 0.000 0.310 150 F C -0.375 175.539 175.800 0.191 0.000 1.085 150 F CA -1.559 56.504 58.000 0.104 0.000 0.945 150 F CB 1.662 40.694 39.000 0.054 0.000 1.298 150 F HN -0.151 nan 8.300 nan 0.000 0.455 151 F N 2.182 122.279 119.950 0.243 0.000 2.375 151 F HA 0.659 5.199 4.527 0.022 0.000 0.361 151 F C -0.558 175.366 175.800 0.206 0.000 1.117 151 F CA -1.026 57.089 58.000 0.191 0.000 1.037 151 F CB 1.042 40.147 39.000 0.175 0.000 1.192 151 F HN 0.290 nan 8.300 nan 0.000 0.452 152 S N 6.419 122.084 115.700 -0.058 0.000 2.503 152 S HA 0.838 5.321 4.470 0.022 0.000 0.301 152 S C -1.352 173.080 174.600 -0.280 0.000 1.087 152 S CA -0.240 57.806 58.200 -0.258 0.000 1.042 152 S CB 0.808 63.953 63.200 -0.093 0.000 1.043 152 S HN 0.708 nan 8.310 nan 0.000 0.489 153 Y N -0.306 119.747 120.300 -0.411 0.000 2.725 153 Y HA 0.747 5.310 4.550 0.022 0.000 0.333 153 Y C -0.801 175.001 175.900 -0.162 0.000 1.242 153 Y CA -1.080 56.852 58.100 -0.281 0.000 1.059 153 Y CB 0.833 39.069 38.460 -0.373 0.000 1.306 153 Y HN 0.556 nan 8.280 nan 0.000 0.454 154 T N -0.455 114.174 114.554 0.126 0.000 2.861 154 T HA 0.660 5.023 4.350 0.022 0.000 0.287 154 T C -1.033 173.782 174.700 0.191 0.000 1.003 154 T CA -1.029 61.119 62.100 0.081 0.000 0.977 154 T CB 1.885 70.809 68.868 0.094 0.000 0.996 154 T HN 0.809 nan 8.240 nan 0.000 0.448 155 R N 1.513 122.120 120.500 0.178 0.000 2.294 155 R HA 0.295 4.648 4.340 0.022 0.000 0.319 155 R C -0.271 176.187 176.300 0.263 0.000 0.984 155 R CA -0.642 55.578 56.100 0.200 0.000 0.861 155 R CB 0.756 31.155 30.300 0.166 0.000 1.104 155 R HN 0.718 nan 8.270 nan 0.000 0.451 156 H N 3.002 122.109 119.070 0.061 0.000 2.908 156 H HA 0.099 4.668 4.556 0.022 0.000 0.269 156 H C -0.201 175.195 175.328 0.113 0.000 1.303 156 H CA -0.256 55.838 56.048 0.076 0.000 1.341 156 H CB 0.751 30.541 29.762 0.047 0.000 1.519 156 H HN 0.441 nan 8.280 nan 0.000 0.505 157 E N 3.803 124.117 120.200 0.190 0.000 2.280 157 E HA 0.242 4.605 4.350 0.022 0.000 0.261 157 E C -2.405 174.312 176.600 0.196 0.000 1.088 157 E CA -2.167 54.339 56.400 0.175 0.000 0.915 157 E CB 0.779 30.573 29.700 0.155 0.000 1.141 157 E HN 0.377 nan 8.360 nan 0.000 0.433 158 P HA -0.039 nan 4.420 nan 0.000 0.274 158 P C 0.466 177.889 177.300 0.205 0.000 1.237 158 P CA -0.134 63.137 63.100 0.284 0.000 0.793 158 P CB 0.720 32.714 31.700 0.491 0.000 0.977 159 V N 1.176 121.154 119.914 0.107 0.000 2.667 159 V HA 0.106 4.239 4.120 0.022 0.000 0.252 159 V C 1.046 177.060 176.094 -0.133 0.000 1.065 159 V CA 2.545 64.850 62.300 0.009 0.000 1.083 159 V CB -1.120 30.693 31.823 -0.016 0.000 0.692 159 V HN 0.965 nan 8.190 nan 0.000 0.468 160 G N -0.738 107.852 108.800 -0.350 0.000 2.541 160 G HA2 -0.156 3.818 3.960 0.022 0.000 0.208 160 G HA3 -0.156 3.818 3.960 0.022 0.000 0.208 160 G C -0.413 174.087 174.900 -0.668 0.000 1.191 160 G CA -0.246 44.224 45.100 -1.049 0.000 1.217 160 G HN 0.564 nan 8.290 nan 0.000 0.566 161 V N 1.103 120.741 119.914 -0.460 0.000 2.427 161 V HA 0.435 4.568 4.120 0.022 0.000 0.268 161 V C 0.458 176.480 176.094 -0.121 0.000 1.046 161 V CA -0.143 62.020 62.300 -0.229 0.000 0.970 161 V CB 0.364 32.089 31.823 -0.163 0.000 1.001 161 V HN 0.843 nan 8.190 nan 0.000 0.476 162 C N 4.623 123.891 119.300 -0.053 0.000 2.322 162 C HA 0.737 5.210 4.460 0.022 0.000 0.324 162 C C 0.962 175.965 174.990 0.021 0.000 1.284 162 C CA -0.892 58.139 59.018 0.021 0.000 1.606 162 C CB 0.569 28.400 27.740 0.152 0.000 2.251 162 C HN 1.013 nan 8.230 nan 0.000 0.502 163 G N 2.691 111.507 108.800 0.025 0.000 2.332 163 G HA2 0.554 4.527 3.960 0.022 0.000 0.310 163 G HA3 0.554 4.527 3.960 0.022 0.000 0.310 163 G C -0.894 174.049 174.900 0.071 0.000 1.123 163 G CA -0.160 44.960 45.100 0.033 0.000 0.873 163 G HN 0.805 nan 8.290 nan 0.000 0.460 164 Q N 1.745 121.587 119.800 0.070 0.000 2.320 164 Q HA 0.408 4.761 4.340 0.022 0.000 0.268 164 Q C -0.903 175.145 176.000 0.080 0.000 1.023 164 Q CA -0.438 55.416 55.803 0.086 0.000 0.744 164 Q CB 2.572 31.351 28.738 0.069 0.000 1.246 164 Q HN 0.517 nan 8.270 nan 0.000 0.462 165 I N 4.553 125.195 120.570 0.120 0.000 2.354 165 I HA 0.467 4.650 4.170 0.022 0.000 0.292 165 I C -0.060 176.045 176.117 -0.020 0.000 0.989 165 I CA -0.654 60.723 61.300 0.128 0.000 1.188 165 I CB 0.961 39.161 38.000 0.334 0.000 1.342 165 I HN 0.523 nan 8.210 nan 0.000 0.457 166 I N 5.053 125.592 120.570 -0.051 0.000 2.892 166 I HA 0.770 4.953 4.170 0.022 0.000 0.306 166 I C -2.713 173.316 176.117 -0.146 0.000 1.078 166 I CA -2.204 59.010 61.300 -0.144 0.000 1.032 166 I CB 2.308 40.250 38.000 -0.097 0.000 1.229 166 I HN 0.248 nan 8.210 nan 0.000 0.435 167 P HA 0.193 nan 4.420 nan 0.000 0.317 167 P C -0.290 176.894 177.300 -0.194 0.000 1.307 167 P CA -0.085 62.838 63.100 -0.295 0.000 0.749 167 P CB 0.768 32.170 31.700 -0.498 0.000 1.377 168 W N -0.127 121.134 121.300 -0.064 0.000 2.998 168 W HA 0.087 4.758 4.660 0.017 0.000 0.336 168 W C 0.856 177.283 176.519 -0.154 0.000 1.112 168 W CA 0.175 57.468 57.345 -0.086 0.000 1.682 168 W CB -1.501 27.917 29.460 -0.069 0.000 1.065 168 W HN 0.187 nan 8.180 nan 0.000 0.570 169 N N 2.124 120.518 118.700 -0.509 0.000 2.244 169 N HA -0.169 4.584 4.740 0.022 0.000 0.183 169 N C -0.042 174.965 175.510 -0.838 0.000 1.016 169 N CA 0.911 53.593 53.050 -0.612 0.000 0.866 169 N CB -1.142 36.803 38.487 -0.903 0.000 0.980 169 N HN 0.132 nan 8.380 nan 0.000 0.430 170 F N -0.693 119.102 119.950 -0.257 0.000 2.794 170 F HA 0.419 4.958 4.527 0.020 0.000 0.353 170 F C -1.837 173.821 175.800 -0.236 0.000 1.371 170 F CA -2.038 55.799 58.000 -0.272 0.000 1.173 170 F CB 2.141 40.893 39.000 -0.414 0.000 1.693 170 F HN -0.183 nan 8.300 nan 0.000 0.606 171 P HA -0.237 nan 4.420 nan 0.000 0.213 171 P C 1.942 179.222 177.300 -0.034 0.000 1.176 171 P CA 1.773 64.860 63.100 -0.020 0.000 0.919 171 P CB 0.379 32.083 31.700 0.007 0.000 0.791 172 L N -2.022 119.189 121.223 -0.020 0.000 2.017 172 L HA -0.187 4.166 4.340 0.022 0.000 0.208 172 L C 2.499 179.329 176.870 -0.066 0.000 1.073 172 L CA 1.118 55.945 54.840 -0.021 0.000 0.745 172 L CB -1.060 40.999 42.059 0.000 0.000 0.894 172 L HN -0.006 nan 8.230 nan 0.000 0.432 173 L N -0.685 120.464 121.223 -0.124 0.000 2.012 173 L HA -0.234 4.119 4.340 0.022 0.000 0.210 173 L C 2.509 179.080 176.870 -0.497 0.000 1.073 173 L CA 1.872 56.528 54.840 -0.306 0.000 0.748 173 L CB -0.427 41.344 42.059 -0.479 0.000 0.891 173 L HN 0.184 nan 8.230 nan 0.000 0.431 174 M N -0.999 118.339 119.600 -0.437 0.000 2.279 174 M HA -0.215 4.278 4.480 0.022 0.000 0.264 174 M C 2.208 178.419 176.300 -0.148 0.000 1.062 174 M CA 1.486 56.559 55.300 -0.379 0.000 1.099 174 M CB -1.218 31.218 32.600 -0.273 0.000 1.394 174 M HN 0.535 nan 8.290 nan 0.000 0.426 175 Q N -0.090 119.649 119.800 -0.101 0.000 2.049 175 Q HA -0.075 4.278 4.340 0.022 0.000 0.198 175 Q C 2.062 178.058 176.000 -0.007 0.000 0.971 175 Q CA 1.647 57.424 55.803 -0.044 0.000 0.833 175 Q CB 0.014 28.730 28.738 -0.038 0.000 0.896 175 Q HN 0.437 nan 8.270 nan 0.000 0.434 176 A N 0.243 123.075 122.820 0.020 0.000 1.902 176 A HA -0.186 4.147 4.320 0.022 0.000 0.217 176 A C 1.550 179.262 177.584 0.215 0.000 1.181 176 A CA 1.323 53.424 52.037 0.107 0.000 0.623 176 A CB -1.188 17.901 19.000 0.147 0.000 0.818 176 A HN 0.646 nan 8.150 nan 0.000 0.443 177 W N 0.270 121.542 121.300 -0.046 0.000 2.421 177 W HA -0.040 4.633 4.660 0.021 0.000 0.270 177 W C 2.009 178.468 176.519 -0.099 0.000 1.233 177 W CA 1.255 58.574 57.345 -0.044 0.000 1.226 177 W CB -0.181 29.249 29.460 -0.051 0.000 1.121 177 W HN 0.244 nan 8.180 nan 0.000 0.579 178 K N -0.505 119.963 120.400 0.114 0.000 2.168 178 K HA 0.132 4.465 4.320 0.022 0.000 0.201 178 K C 2.038 178.541 176.600 -0.163 0.000 1.049 178 K CA 0.598 56.886 56.287 0.002 0.000 0.974 178 K CB -0.810 31.709 32.500 0.032 0.000 0.792 178 K HN 0.214 nan 8.250 nan 0.000 0.463 179 L N 0.249 121.397 121.223 -0.124 0.000 2.109 179 L HA -0.035 4.318 4.340 0.022 0.000 0.207 179 L C 2.446 179.200 176.870 -0.194 0.000 1.086 179 L CA 1.226 55.962 54.840 -0.173 0.000 0.760 179 L CB -0.953 41.022 42.059 -0.141 0.000 0.910 179 L HN 0.231 nan 8.230 nan 0.000 0.437 180 G N 1.424 110.132 108.800 -0.153 0.000 2.545 180 G HA2 -0.234 3.739 3.960 0.022 0.000 0.217 180 G HA3 -0.234 3.739 3.960 0.022 0.000 0.217 180 G C -0.516 174.118 174.900 -0.443 0.000 1.218 180 G CA 1.086 46.099 45.100 -0.146 0.000 0.787 180 G HN 0.307 nan 8.290 nan 0.000 0.571 181 P HA 0.013 nan 4.420 nan 0.000 0.217 181 P C 2.008 178.896 177.300 -0.686 0.000 1.151 181 P CA 1.929 64.469 63.100 -0.933 0.000 0.828 181 P CB -0.102 31.032 31.700 -0.943 0.000 0.788 182 A N 0.582 122.865 122.820 -0.895 0.000 1.855 182 A HA -0.110 4.223 4.320 0.022 0.000 0.215 182 A C 2.458 179.946 177.584 -0.161 0.000 1.191 182 A CA 1.406 53.002 52.037 -0.734 0.000 0.613 182 A CB -1.596 17.010 19.000 -0.657 0.000 0.829 182 A HN 0.103 nan 8.150 nan 0.000 0.442 183 L N -0.745 120.442 121.223 -0.060 0.000 2.093 183 L HA -0.148 4.205 4.340 0.022 0.000 0.208 183 L C 3.024 180.071 176.870 0.295 0.000 1.085 183 L CA 0.954 55.946 54.840 0.253 0.000 0.755 183 L CB -0.594 41.591 42.059 0.209 0.000 0.904 183 L HN 0.430 nan 8.230 nan 0.000 0.435 184 A N 0.201 123.105 122.820 0.139 0.000 2.019 184 A HA -0.170 4.163 4.320 0.022 0.000 0.219 184 A C 2.253 179.903 177.584 0.111 0.000 1.164 184 A CA 2.071 54.200 52.037 0.153 0.000 0.644 184 A CB -0.775 18.345 19.000 0.199 0.000 0.805 184 A HN 0.522 nan 8.150 nan 0.000 0.449 185 T N -4.245 110.355 114.554 0.077 0.000 3.107 185 T HA 0.417 4.780 4.350 0.022 0.000 0.249 185 T C 1.207 175.984 174.700 0.127 0.000 1.096 185 T CA 0.883 63.042 62.100 0.097 0.000 1.012 185 T CB 0.141 69.060 68.868 0.086 0.000 0.977 185 T HN 1.651 nan 8.240 nan 0.000 0.527 186 G N 1.740 110.634 108.800 0.156 0.000 2.165 186 G HA2 -0.207 3.766 3.960 0.022 0.000 0.226 186 G HA3 -0.207 3.766 3.960 0.022 0.000 0.226 186 G C -0.224 175.002 174.900 0.544 0.000 1.035 186 G CA -0.419 44.759 45.100 0.131 0.000 0.744 186 G HN 0.551 nan 8.290 nan 0.000 0.501 187 N N -0.893 118.132 118.700 0.542 0.000 2.478 187 N HA 0.685 5.439 4.740 0.022 0.000 0.275 187 N C 0.363 176.130 175.510 0.429 0.000 1.221 187 N CA 0.259 53.569 53.050 0.433 0.000 0.979 187 N CB 2.059 40.668 38.487 0.203 0.000 1.202 187 N HN 0.686 nan 8.380 nan 0.000 0.564 188 V N -1.782 118.234 119.914 0.170 0.000 2.715 188 V HA 0.764 4.897 4.120 0.022 0.000 0.310 188 V C 0.040 176.104 176.094 -0.050 0.000 1.054 188 V CA -0.896 61.405 62.300 0.002 0.000 0.928 188 V CB 1.343 33.185 31.823 0.032 0.000 1.007 188 V HN 0.428 nan 8.190 nan 0.000 0.437 189 V N 2.910 122.768 119.914 -0.093 0.000 2.914 189 V HA 0.891 5.024 4.120 0.022 0.000 0.314 189 V C -0.920 175.136 176.094 -0.063 0.000 1.084 189 V CA -0.565 61.694 62.300 -0.068 0.000 0.963 189 V CB 2.286 34.068 31.823 -0.070 0.000 1.025 189 V HN 0.914 nan 8.190 nan 0.000 0.432 190 V N 6.623 126.514 119.914 -0.039 0.000 2.357 190 V HA 0.459 4.592 4.120 0.022 0.000 0.281 190 V C -0.064 176.029 176.094 -0.001 0.000 1.015 190 V CA -0.220 62.064 62.300 -0.027 0.000 0.827 190 V CB 1.212 33.008 31.823 -0.046 0.000 1.018 190 V HN 1.022 nan 8.190 nan 0.000 0.432 191 M N 4.887 124.490 119.600 0.005 0.000 2.300 191 M HA 0.566 5.059 4.480 0.022 0.000 0.348 191 M C -0.521 175.803 176.300 0.040 0.000 1.151 191 M CA -0.463 54.847 55.300 0.017 0.000 1.046 191 M CB 1.190 33.786 32.600 -0.006 0.000 1.647 191 M HN 0.363 nan 8.290 nan 0.000 0.451 192 K N 5.584 126.014 120.400 0.050 0.000 2.404 192 K HA 0.336 4.669 4.320 0.022 0.000 0.257 192 K C -1.180 175.450 176.600 0.050 0.000 1.026 192 K CA -0.375 55.949 56.287 0.061 0.000 0.951 192 K CB 0.647 33.192 32.500 0.075 0.000 1.203 192 K HN 0.696 nan 8.250 nan 0.000 0.446 193 V N 0.980 120.924 119.914 0.050 0.000 2.834 193 V HA 0.566 4.699 4.120 0.022 0.000 0.301 193 V C 0.525 176.640 176.094 0.034 0.000 1.066 193 V CA -1.034 61.292 62.300 0.042 0.000 1.052 193 V CB 0.935 32.793 31.823 0.059 0.000 1.021 193 V HN 0.680 nan 8.190 nan 0.000 0.480 194 A N 3.277 126.124 122.820 0.045 0.000 2.520 194 A HA 0.255 4.588 4.320 0.022 0.000 0.245 194 A C 1.353 178.940 177.584 0.006 0.000 1.072 194 A CA 0.301 52.376 52.037 0.064 0.000 0.761 194 A CB -0.005 19.102 19.000 0.178 0.000 1.004 194 A HN 1.149 nan 8.150 nan 0.000 0.499 195 E N 2.358 122.466 120.200 -0.154 0.000 2.267 195 E HA -0.283 4.080 4.350 0.022 0.000 0.197 195 E C 1.001 177.530 176.600 -0.118 0.000 0.998 195 E CA 1.789 57.953 56.400 -0.393 0.000 0.830 195 E CB -0.200 28.891 29.700 -1.014 0.000 0.751 195 E HN 0.842 nan 8.360 nan 0.000 0.491 196 Q N 0.653 120.424 119.800 -0.048 0.000 2.245 196 Q HA 0.007 4.360 4.340 0.022 0.000 0.201 196 Q C 0.628 176.637 176.000 0.015 0.000 0.955 196 Q CA 1.666 57.436 55.803 -0.056 0.000 0.870 196 Q CB 0.520 29.121 28.738 -0.229 0.000 0.945 196 Q HN 0.450 nan 8.270 nan 0.000 0.461 197 T N -3.247 111.353 114.554 0.077 0.000 3.428 197 T HA 0.301 4.664 4.350 0.022 0.000 0.301 197 T C -2.498 172.252 174.700 0.083 0.000 1.323 197 T CA -1.351 60.795 62.100 0.077 0.000 1.647 197 T CB 1.279 70.205 68.868 0.097 0.000 0.871 197 T HN -0.051 nan 8.240 nan 0.000 0.627 198 P HA 0.229 nan 4.420 nan 0.000 0.238 198 P C 1.653 179.007 177.300 0.089 0.000 1.183 198 P CA -0.150 63.017 63.100 0.111 0.000 0.813 198 P CB 0.410 32.222 31.700 0.186 0.000 0.944 199 L N 0.660 121.918 121.223 0.059 0.000 1.990 199 L HA -0.175 4.178 4.340 0.022 0.000 0.213 199 L C 2.816 179.737 176.870 0.086 0.000 1.072 199 L CA 2.855 57.725 54.840 0.051 0.000 0.755 199 L CB -2.150 39.914 42.059 0.008 0.000 0.889 199 L HN 0.118 nan 8.230 nan 0.000 0.432 200 T N -2.030 112.558 114.554 0.056 0.000 2.746 200 T HA -0.166 4.197 4.350 0.022 0.000 0.267 200 T C 1.952 176.728 174.700 0.128 0.000 1.039 200 T CA 1.072 63.216 62.100 0.074 0.000 1.142 200 T CB -0.517 68.362 68.868 0.019 0.000 0.866 200 T HN 0.344 nan 8.240 nan 0.000 0.444 201 A N 1.454 124.327 122.820 0.089 0.000 1.972 201 A HA 0.189 4.522 4.320 0.022 0.000 0.219 201 A C 2.456 180.090 177.584 0.085 0.000 1.169 201 A CA 1.133 53.209 52.037 0.065 0.000 0.635 201 A CB -0.839 18.186 19.000 0.041 0.000 0.810 201 A HN 0.560 nan 8.150 nan 0.000 0.446 202 L N -2.402 118.917 121.223 0.159 0.000 2.109 202 L HA -0.152 4.201 4.340 0.022 0.000 0.207 202 L C 2.558 179.612 176.870 0.306 0.000 1.086 202 L CA 1.580 56.586 54.840 0.277 0.000 0.760 202 L CB -0.591 41.628 42.059 0.265 0.000 0.910 202 L HN 0.582 nan 8.230 nan 0.000 0.437 203 Y N 0.210 120.601 120.300 0.150 0.000 2.293 203 Y HA -0.169 4.395 4.550 0.022 0.000 0.291 203 Y C 2.327 178.298 175.900 0.119 0.000 1.137 203 Y CA 1.154 59.362 58.100 0.181 0.000 1.202 203 Y CB -0.043 38.564 38.460 0.244 0.000 0.990 203 Y HN -0.166 nan 8.280 nan 0.000 0.537 204 V N 0.185 120.168 119.914 0.115 0.000 2.626 204 V HA -0.274 3.859 4.120 0.022 0.000 0.252 204 V C 2.551 178.528 176.094 -0.195 0.000 1.067 204 V CA 1.469 63.762 62.300 -0.012 0.000 1.081 204 V CB -1.331 30.505 31.823 0.020 0.000 0.686 204 V HN 0.556 nan 8.190 nan 0.000 0.468 205 A N 0.235 122.869 122.820 -0.310 0.000 1.969 205 A HA -0.221 4.112 4.320 0.022 0.000 0.218 205 A C 2.094 179.251 177.584 -0.711 0.000 1.169 205 A CA 1.951 53.498 52.037 -0.817 0.000 0.635 205 A CB -0.646 17.533 19.000 -1.368 0.000 0.810 205 A HN 0.546 nan 8.150 nan 0.000 0.445 206 N N 0.230 118.763 118.700 -0.279 0.000 2.120 206 N HA -0.071 4.682 4.740 0.022 0.000 0.188 206 N C 1.528 176.954 175.510 -0.140 0.000 1.024 206 N CA 1.399 54.400 53.050 -0.080 0.000 0.852 206 N CB -0.402 37.999 38.487 -0.143 0.000 1.003 206 N HN 0.496 nan 8.380 nan 0.000 0.424 207 L N -0.026 121.066 121.223 -0.218 0.000 2.275 207 L HA -0.020 4.334 4.340 0.022 0.000 0.215 207 L C 1.994 178.865 176.870 0.002 0.000 1.119 207 L CA 0.488 55.267 54.840 -0.101 0.000 0.790 207 L CB -0.225 41.792 42.059 -0.069 0.000 0.919 207 L HN 0.183 nan 8.230 nan 0.000 0.443 208 I N -0.051 120.490 120.570 -0.048 0.000 2.353 208 I HA -0.261 3.922 4.170 0.022 0.000 0.248 208 I C 2.702 178.941 176.117 0.204 0.000 1.119 208 I CA 1.174 62.511 61.300 0.061 0.000 1.417 208 I CB -0.179 37.686 38.000 -0.225 0.000 1.078 208 I HN 0.257 nan 8.210 nan 0.000 0.421 209 K N 1.216 121.689 120.400 0.122 0.000 2.062 209 K HA -0.236 4.097 4.320 0.022 0.000 0.205 209 K C 2.065 178.733 176.600 0.113 0.000 1.051 209 K CA 1.533 57.920 56.287 0.166 0.000 0.941 209 K CB -0.024 32.592 32.500 0.194 0.000 0.719 209 K HN 0.230 nan 8.250 nan 0.000 0.440 210 E N 0.062 120.307 120.200 0.074 0.000 2.110 210 E HA -0.171 4.192 4.350 0.022 0.000 0.193 210 E C 1.618 178.249 176.600 0.051 0.000 0.988 210 E CA 1.044 57.472 56.400 0.048 0.000 0.804 210 E CB -0.115 29.595 29.700 0.016 0.000 0.745 210 E HN 0.422 nan 8.360 nan 0.000 0.458 211 A N -0.006 122.864 122.820 0.083 0.000 2.121 211 A HA 0.061 4.394 4.320 0.022 0.000 0.218 211 A C 1.867 179.421 177.584 -0.050 0.000 1.154 211 A CA 1.352 53.414 52.037 0.041 0.000 0.679 211 A CB -0.557 18.523 19.000 0.134 0.000 0.795 211 A HN 0.562 nan 8.150 nan 0.000 0.458 212 G N -2.793 106.019 108.800 0.019 0.000 2.148 212 G HA2 -0.197 3.776 3.960 0.022 0.000 0.203 212 G HA3 -0.197 3.776 3.960 0.022 0.000 0.203 212 G C -0.013 174.885 174.900 -0.003 0.000 0.993 212 G CA -0.178 44.920 45.100 -0.004 0.000 0.661 212 G HN 0.302 nan 8.290 nan 0.000 0.518 213 F N 1.698 121.667 119.950 0.032 0.000 2.538 213 F HA 0.393 4.933 4.527 0.022 0.000 0.371 213 F C -1.112 174.672 175.800 -0.027 0.000 1.087 213 F CA -1.358 56.637 58.000 -0.008 0.000 1.250 213 F CB 0.569 39.508 39.000 -0.102 0.000 1.110 213 F HN -0.089 nan 8.300 nan 0.000 0.570 214 P HA 0.008 nan 4.420 nan 0.000 0.266 214 P C -2.504 174.801 177.300 0.007 0.000 1.193 214 P CA -0.710 62.446 63.100 0.092 0.000 0.770 214 P CB 0.048 31.839 31.700 0.152 0.000 0.836 215 P HA 0.035 nan 4.420 nan 0.000 0.266 215 P C 0.992 178.238 177.300 -0.090 0.000 1.195 215 P CA 1.285 64.342 63.100 -0.071 0.000 0.768 215 P CB 0.149 31.810 31.700 -0.065 0.000 0.838 216 G N 1.140 109.860 108.800 -0.134 0.000 2.205 216 G HA2 -0.304 3.669 3.960 0.022 0.000 0.261 216 G HA3 -0.304 3.669 3.960 0.022 0.000 0.261 216 G C 0.997 175.808 174.900 -0.149 0.000 0.980 216 G CA 0.303 45.332 45.100 -0.118 0.000 0.632 216 G HN 0.408 nan 8.290 nan 0.000 0.533 217 V N -0.310 119.459 119.914 -0.241 0.000 2.379 217 V HA 0.112 4.245 4.120 0.022 0.000 0.245 217 V C 1.382 177.269 176.094 -0.345 0.000 1.044 217 V CA 1.931 63.956 62.300 -0.458 0.000 1.036 217 V CB 0.245 31.562 31.823 -0.843 0.000 0.664 217 V HN 0.382 nan 8.190 nan 0.000 0.453 218 V N 1.795 121.566 119.914 -0.239 0.000 2.482 218 V HA 0.456 4.589 4.120 0.022 0.000 0.295 218 V C -0.852 175.256 176.094 0.024 0.000 1.026 218 V CA -0.763 61.437 62.300 -0.167 0.000 0.856 218 V CB 1.671 33.328 31.823 -0.277 0.000 1.001 218 V HN 0.431 nan 8.190 nan 0.000 0.424 219 N N 5.586 124.293 118.700 0.011 0.000 2.314 219 N HA 0.649 5.402 4.740 0.022 0.000 0.294 219 N C -1.193 174.364 175.510 0.077 0.000 1.029 219 N CA -0.440 52.656 53.050 0.077 0.000 0.845 219 N CB 3.079 41.555 38.487 -0.019 0.000 1.321 219 N HN 0.486 nan 8.380 nan 0.000 0.481 220 I N 1.636 122.292 120.570 0.144 0.000 2.418 220 I HA 0.293 4.476 4.170 0.022 0.000 0.287 220 I C -0.446 175.751 176.117 0.133 0.000 1.008 220 I CA -0.974 60.384 61.300 0.097 0.000 1.104 220 I CB 1.987 40.018 38.000 0.051 0.000 1.264 220 I HN 0.052 nan 8.210 nan 0.000 0.438 221 V N 8.048 128.028 119.914 0.110 0.000 2.293 221 V HA 0.313 4.446 4.120 0.022 0.000 0.275 221 V C -2.089 174.087 176.094 0.138 0.000 1.021 221 V CA -1.583 60.794 62.300 0.129 0.000 0.815 221 V CB 1.013 32.898 31.823 0.103 0.000 1.025 221 V HN 0.565 nan 8.190 nan 0.000 0.448 222 P HA 0.608 nan 4.420 nan 0.000 0.278 222 P C 0.156 177.582 177.300 0.211 0.000 1.238 222 P CA 0.414 63.638 63.100 0.207 0.000 0.794 222 P CB 2.315 34.181 31.700 0.277 0.000 0.955 223 G N 1.062 109.871 108.800 0.014 0.000 2.367 223 G HA2 0.321 4.294 3.960 0.022 0.000 0.272 223 G HA3 0.321 4.294 3.960 0.022 0.000 0.272 223 G C -1.718 172.857 174.900 -0.542 0.000 1.271 223 G CA -0.732 44.252 45.100 -0.194 0.000 0.893 223 G HN 0.282 nan 8.290 nan 0.000 0.485 224 F N 0.347 120.200 119.950 -0.161 0.000 2.411 224 F HA 0.597 5.137 4.527 0.021 0.000 0.324 224 F C 1.746 177.522 175.800 -0.040 0.000 1.086 224 F CA 0.612 58.529 58.000 -0.138 0.000 1.028 224 F CB 1.585 40.499 39.000 -0.144 0.000 1.284 224 F HN 0.650 nan 8.300 nan 0.000 0.501 225 G N 0.273 109.186 108.800 0.188 0.000 2.424 225 G HA2 -0.084 3.889 3.960 0.022 0.000 0.214 225 G HA3 -0.084 3.889 3.960 0.022 0.000 0.214 225 G C -1.031 173.926 174.900 0.096 0.000 1.202 225 G CA 0.516 45.692 45.100 0.127 0.000 0.793 225 G HN 0.480 nan 8.290 nan 0.000 0.534 226 P HA -0.054 nan 4.420 nan 0.000 0.221 226 P C 1.892 179.218 177.300 0.045 0.000 1.145 226 P CA 2.077 65.201 63.100 0.039 0.000 0.795 226 P CB -0.039 31.670 31.700 0.016 0.000 0.775 227 T N -3.583 111.017 114.554 0.078 0.000 3.246 227 T HA 0.250 4.613 4.350 0.022 0.000 0.231 227 T C 1.966 176.718 174.700 0.087 0.000 0.986 227 T CA 0.648 62.796 62.100 0.081 0.000 1.340 227 T CB -1.174 67.760 68.868 0.110 0.000 1.063 227 T HN -0.084 nan 8.240 nan 0.000 0.427 228 A N 1.719 124.603 122.820 0.107 0.000 1.873 228 A HA 0.286 4.619 4.320 0.022 0.000 0.215 228 A C 2.648 180.283 177.584 0.085 0.000 1.186 228 A CA 1.847 53.942 52.037 0.097 0.000 0.616 228 A CB -1.725 17.333 19.000 0.097 0.000 0.823 228 A HN 0.685 nan 8.150 nan 0.000 0.442 229 G N -0.373 108.477 108.800 0.084 0.000 2.459 229 G HA2 -0.030 3.943 3.960 0.022 0.000 0.217 229 G HA3 -0.030 3.943 3.960 0.022 0.000 0.217 229 G C 1.785 176.719 174.900 0.056 0.000 1.183 229 G CA 1.624 46.773 45.100 0.081 0.000 0.776 229 G HN 0.832 nan 8.290 nan 0.000 0.552 230 A N 1.104 123.948 122.820 0.041 0.000 1.933 230 A HA 0.240 4.573 4.320 0.022 0.000 0.218 230 A C 2.814 180.420 177.584 0.038 0.000 1.175 230 A CA 2.279 54.328 52.037 0.020 0.000 0.628 230 A CB -0.769 18.238 19.000 0.010 0.000 0.814 230 A HN 0.851 nan 8.150 nan 0.000 0.444 231 A N -0.011 122.845 122.820 0.060 0.000 1.908 231 A HA -0.121 4.212 4.320 0.022 0.000 0.218 231 A C 2.119 179.781 177.584 0.130 0.000 1.181 231 A CA 1.648 53.738 52.037 0.087 0.000 0.627 231 A CB -0.587 18.474 19.000 0.102 0.000 0.818 231 A HN 0.515 nan 8.150 nan 0.000 0.445 232 I N -0.434 120.198 120.570 0.104 0.000 2.202 232 I HA -0.226 3.957 4.170 0.022 0.000 0.242 232 I C 2.964 179.135 176.117 0.089 0.000 1.091 232 I CA 0.994 62.351 61.300 0.095 0.000 1.368 232 I CB -0.347 37.691 38.000 0.063 0.000 1.058 232 I HN 0.335 nan 8.210 nan 0.000 0.410 233 A N -0.139 122.715 122.820 0.056 0.000 1.940 233 A HA -0.172 4.162 4.320 0.022 0.000 0.219 233 A C 2.313 179.913 177.584 0.027 0.000 1.176 233 A CA 2.160 54.212 52.037 0.025 0.000 0.631 233 A CB -0.532 18.458 19.000 -0.017 0.000 0.814 233 A HN 0.408 nan 8.150 nan 0.000 0.446 234 S N -1.058 114.663 115.700 0.034 0.000 2.556 234 S HA 0.082 4.565 4.470 0.022 0.000 0.216 234 S C 0.522 175.131 174.600 0.015 0.000 0.970 234 S CA -0.533 57.675 58.200 0.012 0.000 0.912 234 S CB -0.224 62.971 63.200 -0.009 0.000 0.790 234 S HN 0.650 nan 8.310 nan 0.000 0.504 235 H N 2.947 122.015 119.070 -0.004 0.000 2.929 235 H HA 0.083 4.652 4.556 0.022 0.000 0.317 235 H C 0.799 176.124 175.328 -0.005 0.000 1.031 235 H CA 0.454 56.501 56.048 -0.001 0.000 1.466 235 H CB 0.588 30.352 29.762 0.003 0.000 1.482 235 H HN 0.142 nan 8.280 nan 0.000 0.561 236 E N 3.164 123.312 120.200 -0.086 0.000 2.472 236 E HA -0.128 4.235 4.350 0.022 0.000 0.200 236 E C 0.508 177.189 176.600 0.136 0.000 1.046 236 E CA 0.748 57.157 56.400 0.014 0.000 0.871 236 E CB 0.240 29.906 29.700 -0.057 0.000 0.806 236 E HN 0.584 nan 8.360 nan 0.000 0.533 237 D N -0.610 120.016 120.400 0.377 0.000 2.513 237 D HA 0.057 4.710 4.640 0.022 0.000 0.222 237 D C -0.765 175.584 176.300 0.082 0.000 1.210 237 D CA -0.043 54.084 54.000 0.211 0.000 0.825 237 D CB 0.730 41.649 40.800 0.198 0.000 1.037 237 D HN -0.210 nan 8.370 nan 0.000 0.506 238 V N 1.784 121.752 119.914 0.089 0.000 2.364 238 V HA 0.138 4.271 4.120 0.022 0.000 0.272 238 V C 0.920 177.010 176.094 -0.005 0.000 1.036 238 V CA -0.351 61.946 62.300 -0.005 0.000 0.880 238 V CB 1.689 33.516 31.823 0.006 0.000 0.991 238 V HN 0.082 nan 8.190 nan 0.000 0.460 239 D N 3.078 123.449 120.400 -0.047 0.000 2.194 239 D HA 0.009 4.662 4.640 0.022 0.000 0.204 239 D C 0.837 177.106 176.300 -0.051 0.000 0.964 239 D CA 1.079 55.047 54.000 -0.052 0.000 0.846 239 D CB 0.580 41.322 40.800 -0.096 0.000 0.962 239 D HN 0.362 nan 8.370 nan 0.000 0.490 240 K N 0.523 120.892 120.400 -0.052 0.000 2.527 240 K HA 0.380 4.713 4.320 0.022 0.000 0.260 240 K C -1.846 174.736 176.600 -0.030 0.000 0.937 240 K CA -0.525 55.727 56.287 -0.059 0.000 0.826 240 K CB 2.826 35.265 32.500 -0.102 0.000 1.359 240 K HN -0.269 nan 8.250 nan 0.000 0.434 241 V N 1.501 121.400 119.914 -0.026 0.000 2.656 241 V HA 0.711 4.844 4.120 0.022 0.000 0.307 241 V C -0.840 175.272 176.094 0.029 0.000 1.051 241 V CA -0.842 61.471 62.300 0.020 0.000 0.893 241 V CB 1.677 33.520 31.823 0.033 0.000 0.999 241 V HN 0.860 nan 8.190 nan 0.000 0.426 242 A N 4.752 127.623 122.820 0.085 0.000 2.332 242 A HA 0.845 5.178 4.320 0.022 0.000 0.300 242 A C -1.311 176.384 177.584 0.185 0.000 1.153 242 A CA -0.357 51.745 52.037 0.109 0.000 0.764 242 A CB 0.832 19.912 19.000 0.134 0.000 1.174 242 A HN 0.802 nan 8.150 nan 0.000 0.467 243 F N 1.977 121.947 119.950 0.034 0.000 2.546 243 F HA 0.773 5.313 4.527 0.022 0.000 0.320 243 F C -0.288 175.540 175.800 0.045 0.000 1.076 243 F CA -0.115 57.905 58.000 0.033 0.000 0.928 243 F CB 2.388 41.399 39.000 0.019 0.000 1.189 243 F HN 0.379 nan 8.300 nan 0.000 0.465 244 T N 4.099 118.023 114.554 -1.048 0.000 2.949 244 T HA 0.733 5.096 4.350 0.022 0.000 0.300 244 T C -0.302 173.669 174.700 -1.215 0.000 0.988 244 T CA -0.267 61.362 62.100 -0.784 0.000 0.993 244 T CB 1.035 69.704 68.868 -0.331 0.000 0.984 244 T HN 1.124 nan 8.240 nan 0.000 0.442 245 G N 1.845 110.131 108.800 -0.856 0.000 2.392 245 G HA2 0.488 4.461 3.960 0.022 0.000 0.260 245 G HA3 0.488 4.461 3.960 0.022 0.000 0.260 245 G C -0.622 174.261 174.900 -0.029 0.000 1.226 245 G CA -0.289 44.552 45.100 -0.432 0.000 0.913 245 G HN 0.890 nan 8.290 nan 0.000 0.483 246 S N -0.402 115.362 115.700 0.106 0.000 2.572 246 S HA 0.389 4.872 4.470 0.022 0.000 0.279 246 S C 1.358 176.080 174.600 0.203 0.000 1.341 246 S CA 1.009 59.264 58.200 0.091 0.000 1.043 246 S CB 1.270 64.510 63.200 0.066 0.000 0.887 246 S HN 0.782 nan 8.310 nan 0.000 0.516 247 T N 2.116 116.771 114.554 0.169 0.000 2.759 247 T HA -0.119 4.244 4.350 0.022 0.000 0.269 247 T C 1.713 176.471 174.700 0.096 0.000 1.042 247 T CA 1.647 63.846 62.100 0.166 0.000 1.140 247 T CB -0.414 68.570 68.868 0.192 0.000 0.864 247 T HN 0.674 nan 8.240 nan 0.000 0.455 248 E N 1.163 121.410 120.200 0.079 0.000 2.035 248 E HA -0.129 4.234 4.350 0.022 0.000 0.204 248 E C 2.261 178.853 176.600 -0.012 0.000 1.025 248 E CA 1.082 57.501 56.400 0.033 0.000 0.835 248 E CB -0.474 29.250 29.700 0.039 0.000 0.764 248 E HN 0.380 nan 8.360 nan 0.000 0.457 249 I N 0.835 121.398 120.570 -0.011 0.000 2.454 249 I HA -0.123 4.060 4.170 0.022 0.000 0.254 249 I C 2.400 178.281 176.117 -0.393 0.000 1.156 249 I CA 1.179 62.381 61.300 -0.164 0.000 1.433 249 I CB -1.819 36.122 38.000 -0.098 0.000 1.082 249 I HN 0.089 nan 8.210 nan 0.000 0.432 250 G N 0.854 109.531 108.800 -0.206 0.000 2.422 250 G HA2 -0.247 3.726 3.960 0.022 0.000 0.218 250 G HA3 -0.247 3.726 3.960 0.022 0.000 0.218 250 G C 1.942 176.753 174.900 -0.149 0.000 1.146 250 G CA 0.371 45.364 45.100 -0.178 0.000 0.769 250 G HN 0.304 nan 8.290 nan 0.000 0.547 251 R N -0.361 120.083 120.500 -0.093 0.000 2.081 251 R HA -0.014 4.339 4.340 0.022 0.000 0.235 251 R C 2.708 178.946 176.300 -0.103 0.000 1.131 251 R CA 1.174 57.229 56.100 -0.075 0.000 0.960 251 R CB -0.515 29.757 30.300 -0.048 0.000 0.856 251 R HN 0.288 nan 8.270 nan 0.000 0.436 252 V N 1.402 121.236 119.914 -0.133 0.000 2.343 252 V HA -0.257 3.876 4.120 0.022 0.000 0.247 252 V C 2.265 178.265 176.094 -0.157 0.000 1.051 252 V CA 1.475 63.696 62.300 -0.132 0.000 1.036 252 V CB -0.438 31.303 31.823 -0.137 0.000 0.654 252 V HN 0.270 nan 8.190 nan 0.000 0.451 253 I N -0.156 120.265 120.570 -0.248 0.000 2.179 253 I HA -0.269 3.914 4.170 0.022 0.000 0.242 253 I C 2.542 178.583 176.117 -0.126 0.000 1.088 253 I CA 1.815 62.977 61.300 -0.230 0.000 1.357 253 I CB -1.202 36.569 38.000 -0.381 0.000 1.051 253 I HN 0.429 nan 8.210 nan 0.000 0.409 254 Q N 0.594 120.330 119.800 -0.107 0.000 2.124 254 Q HA -0.147 4.206 4.340 0.022 0.000 0.202 254 Q C 2.355 178.322 176.000 -0.056 0.000 0.977 254 Q CA 1.526 57.291 55.803 -0.064 0.000 0.850 254 Q CB 0.196 28.904 28.738 -0.050 0.000 0.901 254 Q HN 0.326 nan 8.270 nan 0.000 0.429 255 V N 0.703 120.579 119.914 -0.062 0.000 2.343 255 V HA -0.272 3.861 4.120 0.022 0.000 0.247 255 V C 2.325 178.391 176.094 -0.046 0.000 1.051 255 V CA 1.738 64.008 62.300 -0.050 0.000 1.036 255 V CB -1.082 30.711 31.823 -0.051 0.000 0.654 255 V HN 0.498 nan 8.190 nan 0.000 0.451 256 A N 0.161 122.949 122.820 -0.054 0.000 1.908 256 A HA -0.172 4.161 4.320 0.022 0.000 0.218 256 A C 2.428 179.992 177.584 -0.033 0.000 1.181 256 A CA 2.292 54.303 52.037 -0.043 0.000 0.627 256 A CB -0.843 18.128 19.000 -0.049 0.000 0.818 256 A HN 0.586 nan 8.150 nan 0.000 0.445 257 A N -0.699 122.101 122.820 -0.034 0.000 1.933 257 A HA 0.143 4.476 4.320 0.022 0.000 0.218 257 A C 2.375 179.944 177.584 -0.025 0.000 1.175 257 A CA 1.887 53.908 52.037 -0.025 0.000 0.628 257 A CB -1.255 17.729 19.000 -0.028 0.000 0.814 257 A HN 0.733 nan 8.150 nan 0.000 0.444 258 G N -0.977 107.806 108.800 -0.029 0.000 2.403 258 G HA2 -0.051 3.922 3.960 0.022 0.000 0.216 258 G HA3 -0.051 3.922 3.960 0.022 0.000 0.216 258 G C 1.690 176.575 174.900 -0.025 0.000 1.154 258 G CA 1.178 46.262 45.100 -0.027 0.000 0.784 258 G HN 0.502 nan 8.290 nan 0.000 0.538 259 S N 0.482 116.167 115.700 -0.026 0.000 2.461 259 S HA 0.004 4.487 4.470 0.022 0.000 0.228 259 S C 2.303 176.889 174.600 -0.024 0.000 1.005 259 S CA 1.016 59.201 58.200 -0.025 0.000 0.942 259 S CB 0.005 63.189 63.200 -0.027 0.000 0.776 259 S HN 0.621 nan 8.310 nan 0.000 0.514 260 S N 3.464 119.151 115.700 -0.022 0.000 3.224 260 S HA 0.094 4.577 4.470 0.022 0.000 0.171 260 S C 0.977 175.568 174.600 -0.015 0.000 0.846 260 S CA 0.066 58.253 58.200 -0.020 0.000 1.328 260 S CB -0.594 62.596 63.200 -0.017 0.000 0.614 260 S HN 0.480 nan 8.310 nan 0.000 0.578 261 N N 1.524 120.220 118.700 -0.007 0.000 2.279 261 N HA 0.196 4.949 4.740 0.022 0.000 0.226 261 N C 0.224 175.730 175.510 -0.007 0.000 1.126 261 N CA -0.075 52.973 53.050 -0.004 0.000 0.846 261 N CB -0.667 37.825 38.487 0.009 0.000 1.050 261 N HN 0.675 nan 8.380 nan 0.000 0.502 262 L N -0.553 120.663 121.223 -0.013 0.000 3.843 262 L HA -0.287 4.066 4.340 0.022 0.000 0.411 262 L C -0.059 176.799 176.870 -0.019 0.000 1.205 262 L CA 0.581 55.410 54.840 -0.017 0.000 0.945 262 L CB -1.595 40.454 42.059 -0.017 0.000 1.929 262 L HN 0.466 nan 8.230 nan 0.000 0.934 263 K N 0.035 120.425 120.400 -0.017 0.000 2.436 263 K HA 0.387 4.721 4.320 0.022 0.000 0.275 263 K C 0.340 176.919 176.600 -0.034 0.000 0.999 263 K CA -0.610 55.664 56.287 -0.022 0.000 0.980 263 K CB 0.465 32.957 32.500 -0.013 0.000 0.919 263 K HN 0.012 nan 8.250 nan 0.000 0.484 264 R N 1.220 121.691 120.500 -0.048 0.000 2.590 264 R HA 0.198 4.551 4.340 0.022 0.000 0.274 264 R C -0.522 175.739 176.300 -0.065 0.000 1.061 264 R CA -0.266 55.796 56.100 -0.062 0.000 1.081 264 R CB 0.753 31.003 30.300 -0.084 0.000 0.984 264 R HN 0.466 nan 8.270 nan 0.000 0.448 265 V N 1.307 121.187 119.914 -0.058 0.000 2.789 265 V HA 0.635 4.768 4.120 0.022 0.000 0.311 265 V C -0.384 175.687 176.094 -0.038 0.000 1.073 265 V CA -0.878 61.398 62.300 -0.040 0.000 0.921 265 V CB 2.276 34.087 31.823 -0.021 0.000 1.009 265 V HN 0.984 nan 8.190 nan 0.000 0.426 266 T N 1.914 116.458 114.554 -0.017 0.000 2.893 266 T HA 0.864 5.227 4.350 0.022 0.000 0.293 266 T C -1.132 173.613 174.700 0.075 0.000 1.027 266 T CA -0.685 61.415 62.100 0.001 0.000 0.988 266 T CB 1.628 70.471 68.868 -0.042 0.000 1.043 266 T HN 0.420 nan 8.240 nan 0.000 0.461 267 L N 1.819 123.098 121.223 0.093 0.000 2.408 267 L HA 0.610 4.963 4.340 0.022 0.000 0.268 267 L C -0.303 176.650 176.870 0.139 0.000 0.986 267 L CA -0.891 54.050 54.840 0.169 0.000 0.820 267 L CB 2.325 44.492 42.059 0.179 0.000 1.303 267 L HN 0.642 nan 8.230 nan 0.000 0.411 268 E N 4.600 124.880 120.200 0.134 0.000 2.489 268 E HA 0.411 4.774 4.350 0.022 0.000 0.232 268 E C -0.574 176.078 176.600 0.087 0.000 0.990 268 E CA -0.187 56.287 56.400 0.124 0.000 0.768 268 E CB 1.455 31.248 29.700 0.155 0.000 1.270 268 E HN 0.485 nan 8.360 nan 0.000 0.423 269 L N -0.225 121.076 121.223 0.129 0.000 2.855 269 L HA 0.547 4.900 4.340 0.022 0.000 0.204 269 L C 1.380 178.305 176.870 0.091 0.000 1.206 269 L CA -0.756 54.161 54.840 0.130 0.000 0.942 269 L CB 0.035 42.209 42.059 0.191 0.000 1.832 269 L HN 0.305 nan 8.230 nan 0.000 0.522 270 G N -1.920 106.922 108.800 0.069 0.000 2.531 270 G HA2 0.616 4.589 3.960 0.022 0.000 0.281 270 G HA3 0.616 4.589 3.960 0.022 0.000 0.281 270 G C -0.639 174.092 174.900 -0.281 0.000 1.382 270 G CA 0.023 45.071 45.100 -0.087 0.000 1.045 270 G HN 0.840 nan 8.290 nan 0.000 0.533 271 G N -1.960 106.437 108.800 -0.672 0.000 2.550 271 G HA2 0.476 4.449 3.960 0.022 0.000 0.293 271 G HA3 0.476 4.449 3.960 0.022 0.000 0.293 271 G C -1.435 173.038 174.900 -0.712 0.000 1.402 271 G CA -0.498 44.087 45.100 -0.859 0.000 0.784 271 G HN 0.608 nan 8.290 nan 0.000 0.482 272 K N 0.563 120.794 120.400 -0.282 0.000 3.350 272 K HA 0.441 4.775 4.320 0.022 0.000 0.181 272 K C 0.034 176.685 176.600 0.085 0.000 1.064 272 K CA -0.336 55.927 56.287 -0.039 0.000 0.839 272 K CB 0.120 32.697 32.500 0.128 0.000 0.819 272 K HN 0.455 nan 8.250 nan 0.000 0.523 273 S N 3.518 119.280 115.700 0.103 0.000 2.563 273 S HA 0.099 4.582 4.470 0.022 0.000 0.294 273 S C -2.311 172.422 174.600 0.223 0.000 1.279 273 S CA -0.441 57.869 58.200 0.183 0.000 1.069 273 S CB 0.211 63.584 63.200 0.287 0.000 0.828 273 S HN 0.374 nan 8.310 nan 0.000 0.497 274 P HA 0.201 nan 4.420 nan 0.000 0.292 274 P C -1.114 176.386 177.300 0.333 0.000 1.287 274 P CA -0.652 62.647 63.100 0.331 0.000 0.800 274 P CB 0.537 32.427 31.700 0.317 0.000 0.945 275 N N 4.132 123.027 118.700 0.325 0.000 2.558 275 N HA 0.278 5.032 4.740 0.022 0.000 0.242 275 N C -0.522 175.153 175.510 0.276 0.000 0.979 275 N CA -0.616 52.623 53.050 0.315 0.000 0.931 275 N CB 0.376 38.943 38.487 0.134 0.000 1.122 275 N HN 0.328 nan 8.380 nan 0.000 0.508 276 I N 4.621 125.355 120.570 0.274 0.000 2.337 276 I HA 0.219 4.402 4.170 0.022 0.000 0.291 276 I C -0.021 176.277 176.117 0.301 0.000 1.046 276 I CA -0.561 60.870 61.300 0.217 0.000 1.324 276 I CB 0.901 38.906 38.000 0.009 0.000 1.409 276 I HN 0.366 nan 8.210 nan 0.000 0.494 277 I N 7.162 127.905 120.570 0.289 0.000 2.337 277 I HA 0.290 4.473 4.170 0.022 0.000 0.285 277 I C 0.207 176.514 176.117 0.317 0.000 1.041 277 I CA -0.502 60.935 61.300 0.228 0.000 1.199 277 I CB 0.703 38.637 38.000 -0.110 0.000 1.370 277 I HN 0.485 nan 8.210 nan 0.000 0.470 278 M N 3.587 123.390 119.600 0.339 0.000 2.241 278 M HA 0.130 4.623 4.480 0.022 0.000 0.335 278 M C 1.736 178.141 176.300 0.174 0.000 1.122 278 M CA 0.094 55.566 55.300 0.288 0.000 1.164 278 M CB 0.684 33.441 32.600 0.260 0.000 1.459 278 M HN 0.644 nan 8.290 nan 0.000 0.461 279 S N 0.836 116.595 115.700 0.098 0.000 2.400 279 S HA -0.177 4.306 4.470 0.022 0.000 0.232 279 S C 0.810 175.472 174.600 0.102 0.000 1.025 279 S CA 1.500 59.742 58.200 0.071 0.000 0.993 279 S CB -0.602 62.614 63.200 0.027 0.000 0.808 279 S HN 0.766 nan 8.310 nan 0.000 0.478 280 D N 1.947 122.416 120.400 0.115 0.000 2.325 280 D HA 0.414 5.067 4.640 0.022 0.000 0.234 280 D C 0.342 176.731 176.300 0.149 0.000 1.122 280 D CA 0.035 54.102 54.000 0.113 0.000 0.850 280 D CB -0.375 40.480 40.800 0.092 0.000 0.921 280 D HN 0.516 nan 8.370 nan 0.000 0.513 281 A N 0.331 123.267 122.820 0.194 0.000 2.340 281 A HA 0.281 4.614 4.320 0.022 0.000 0.268 281 A C 0.053 177.791 177.584 0.256 0.000 1.100 281 A CA -0.616 51.582 52.037 0.268 0.000 0.803 281 A CB 0.486 19.701 19.000 0.358 0.000 1.043 281 A HN 0.096 nan 8.150 nan 0.000 0.488 282 D N 2.450 123.028 120.400 0.298 0.000 2.346 282 D HA 0.070 4.723 4.640 0.022 0.000 0.267 282 D C 1.101 177.577 176.300 0.293 0.000 1.320 282 D CA -0.104 54.054 54.000 0.264 0.000 0.951 282 D CB 0.202 41.167 40.800 0.275 0.000 1.079 282 D HN 0.448 nan 8.370 nan 0.000 0.509 283 M N 3.953 123.677 119.600 0.207 0.000 2.226 283 M HA -0.248 4.245 4.480 0.022 0.000 0.257 283 M C 1.180 177.550 176.300 0.116 0.000 1.070 283 M CA 1.880 57.278 55.300 0.163 0.000 1.087 283 M CB -0.370 32.292 32.600 0.105 0.000 1.278 283 M HN 0.383 nan 8.290 nan 0.000 0.426 284 D N -1.195 119.275 120.400 0.116 0.000 2.116 284 D HA -0.279 4.374 4.640 0.022 0.000 0.193 284 D C 1.934 178.338 176.300 0.174 0.000 0.998 284 D CA 1.831 55.890 54.000 0.098 0.000 0.836 284 D CB -0.741 40.127 40.800 0.112 0.000 0.951 284 D HN 0.694 nan 8.370 nan 0.000 0.449 285 W N 1.699 123.034 121.300 0.058 0.000 2.358 285 W HA -0.138 4.540 4.660 0.031 0.000 0.303 285 W C 2.343 178.939 176.519 0.128 0.000 1.208 285 W CA 1.343 58.756 57.345 0.113 0.000 1.274 285 W CB 0.050 29.616 29.460 0.176 0.000 1.138 285 W HN -0.066 nan 8.180 nan 0.000 0.515 286 A N 0.246 123.171 122.820 0.174 0.000 1.902 286 A HA -0.182 4.151 4.320 0.022 0.000 0.217 286 A C 2.020 179.510 177.584 -0.156 0.000 1.181 286 A CA 2.146 54.117 52.037 -0.110 0.000 0.623 286 A CB -1.169 17.950 19.000 0.197 0.000 0.818 286 A HN 0.139 nan 8.150 nan 0.000 0.443 287 V N -0.104 119.691 119.914 -0.199 0.000 2.261 287 V HA -0.233 3.900 4.120 0.022 0.000 0.246 287 V C 2.640 178.578 176.094 -0.261 0.000 1.047 287 V CA 2.453 64.466 62.300 -0.479 0.000 1.015 287 V CB -0.706 30.802 31.823 -0.524 0.000 0.642 287 V HN 0.676 nan 8.190 nan 0.000 0.446 288 E N -0.206 119.871 120.200 -0.205 0.000 2.077 288 E HA -0.205 4.158 4.350 0.022 0.000 0.193 288 E C 2.294 178.794 176.600 -0.167 0.000 0.989 288 E CA 1.342 57.641 56.400 -0.169 0.000 0.800 288 E CB -0.243 29.367 29.700 -0.150 0.000 0.746 288 E HN 0.480 nan 8.360 nan 0.000 0.452 289 Q N -0.336 119.247 119.800 -0.362 0.000 2.079 289 Q HA -0.037 4.316 4.340 0.022 0.000 0.200 289 Q C 2.169 178.071 176.000 -0.163 0.000 0.974 289 Q CA 1.483 57.083 55.803 -0.338 0.000 0.840 289 Q CB -0.559 27.887 28.738 -0.487 0.000 0.898 289 Q HN 0.376 nan 8.270 nan 0.000 0.430 290 A N 0.115 122.807 122.820 -0.213 0.000 1.933 290 A HA -0.241 4.092 4.320 0.022 0.000 0.218 290 A C 1.919 179.486 177.584 -0.028 0.000 1.175 290 A CA 1.963 53.921 52.037 -0.131 0.000 0.628 290 A CB -0.817 18.247 19.000 0.106 0.000 0.814 290 A HN 0.527 nan 8.150 nan 0.000 0.444 291 H N -1.836 117.232 119.070 -0.003 0.000 2.321 291 H HA -0.154 4.393 4.556 -0.014 0.000 0.300 291 H C 1.724 177.174 175.328 0.204 0.000 1.087 291 H CA 2.166 58.318 56.048 0.173 0.000 1.319 291 H CB -0.362 29.477 29.762 0.127 0.000 1.379 291 H HN 0.466 nan 8.280 nan 0.000 0.501 292 F N 0.839 120.851 119.950 0.103 0.000 2.134 292 F HA -0.140 4.398 4.527 0.018 0.000 0.299 292 F C 2.514 178.270 175.800 -0.073 0.000 1.097 292 F CA 1.399 59.422 58.000 0.037 0.000 1.264 292 F CB -0.695 38.273 39.000 -0.053 0.000 1.001 292 F HN 0.296 nan 8.300 nan 0.000 0.479 293 A N 0.081 122.788 122.820 -0.189 0.000 1.986 293 A HA -0.191 4.142 4.320 0.022 0.000 0.220 293 A C 2.092 179.383 177.584 -0.489 0.000 1.171 293 A CA 2.109 53.781 52.037 -0.608 0.000 0.640 293 A CB -0.950 17.326 19.000 -1.207 0.000 0.811 293 A HN 0.596 nan 8.150 nan 0.000 0.451 294 L N -3.166 117.794 121.223 -0.439 0.000 2.349 294 L HA 0.324 4.678 4.340 0.022 0.000 0.200 294 L C 1.885 178.422 176.870 -0.555 0.000 1.064 294 L CA 0.785 55.312 54.840 -0.521 0.000 0.821 294 L CB -0.025 41.614 42.059 -0.700 0.000 1.027 294 L HN 0.269 nan 8.230 nan 0.000 0.476 295 F N -0.564 119.194 119.950 -0.320 0.000 2.748 295 F HA -0.001 4.500 4.527 -0.043 0.000 0.299 295 F C 1.012 176.690 175.800 -0.204 0.000 1.154 295 F CA 0.001 57.823 58.000 -0.298 0.000 1.446 295 F CB -0.386 38.327 39.000 -0.479 0.000 1.112 295 F HN -0.040 nan 8.300 nan 0.000 0.584 296 F N 2.056 121.810 119.950 -0.327 0.000 2.607 296 F HA -0.051 4.485 4.527 0.015 0.000 0.374 296 F C 1.217 176.891 175.800 -0.211 0.000 1.104 296 F CA -0.260 57.510 58.000 -0.384 0.000 1.296 296 F CB 0.182 38.718 39.000 -0.773 0.000 1.085 296 F HN 0.075 nan 8.300 nan 0.000 0.584 297 N N 3.595 121.839 118.700 -0.760 0.000 2.725 297 N HA -0.305 4.448 4.740 0.022 0.000 0.251 297 N C -0.104 175.137 175.510 -0.449 0.000 1.031 297 N CA 1.407 53.994 53.050 -0.772 0.000 0.720 297 N CB -0.994 36.765 38.487 -1.215 0.000 0.930 297 N HN 0.775 nan 8.380 nan 0.000 0.543 298 Q N -1.977 117.684 119.800 -0.232 0.000 2.461 298 Q HA -0.177 4.176 4.340 0.022 0.000 0.273 298 Q C 1.198 177.102 176.000 -0.160 0.000 1.163 298 Q CA 2.150 57.880 55.803 -0.122 0.000 0.929 298 Q CB -1.849 26.820 28.738 -0.116 0.000 1.334 298 Q HN 1.133 nan 8.270 nan 0.000 0.499 299 G N -1.053 107.610 108.800 -0.228 0.000 2.168 299 G HA2 -0.396 3.577 3.960 0.022 0.000 0.263 299 G HA3 -0.396 3.577 3.960 0.022 0.000 0.263 299 G C 0.114 174.712 174.900 -0.503 0.000 0.977 299 G CA 0.505 45.428 45.100 -0.296 0.000 0.659 299 G HN 0.475 nan 8.290 nan 0.000 0.533 300 Q N -0.130 119.278 119.800 -0.653 0.000 3.207 300 Q HA 0.486 4.839 4.340 0.022 0.000 0.335 300 Q C 0.019 175.289 176.000 -1.217 0.000 1.374 300 Q CA -0.057 55.003 55.803 -1.240 0.000 1.023 300 Q CB 0.690 29.063 28.738 -0.609 0.000 1.576 300 Q HN 0.421 nan 8.270 nan 0.000 0.515 301 C N 0.021 118.781 119.300 -0.899 0.000 2.481 301 C HA 0.314 4.787 4.460 0.022 0.000 0.324 301 C C 2.052 177.134 174.990 0.153 0.000 1.170 301 C CA -0.749 58.182 59.018 -0.145 0.000 1.361 301 C CB 0.149 27.981 27.740 0.155 0.000 1.977 301 C HN 0.983 nan 8.230 nan 0.000 0.459 302 C N 2.169 121.718 119.300 0.414 0.000 2.403 302 C HA -0.106 4.367 4.460 0.022 0.000 0.277 302 C C 2.054 177.272 174.990 0.380 0.000 1.248 302 C CA 1.723 61.010 59.018 0.447 0.000 1.762 302 C CB -2.413 25.553 27.740 0.377 0.000 2.014 302 C HN 1.042 nan 8.230 nan 0.000 0.486 303 C N 1.384 120.987 119.300 0.505 0.000 2.589 303 C HA 0.738 5.211 4.460 0.022 0.000 0.307 303 C C 1.312 176.631 174.990 0.549 0.000 1.328 303 C CA -0.880 58.473 59.018 0.558 0.000 1.742 303 C CB -2.556 25.701 27.740 0.860 0.000 2.037 303 C HN 0.778 nan 8.230 nan 0.000 0.592 304 A N 1.070 124.092 122.820 0.337 0.000 2.511 304 A HA 0.477 4.810 4.320 0.022 0.000 0.242 304 A C 1.064 178.735 177.584 0.146 0.000 1.069 304 A CA 0.763 52.908 52.037 0.179 0.000 0.763 304 A CB -0.077 18.913 19.000 -0.016 0.000 1.001 304 A HN 1.088 nan 8.150 nan 0.000 0.498 305 G N 1.670 110.440 108.800 -0.049 0.000 2.821 305 G HA2 0.351 4.324 3.960 0.022 0.000 0.289 305 G HA3 0.351 4.324 3.960 0.022 0.000 0.289 305 G C 0.842 175.670 174.900 -0.120 0.000 0.771 305 G CA 0.346 45.406 45.100 -0.068 0.000 1.908 305 G HN 1.062 nan 8.290 nan 0.000 0.539 306 S N 1.353 117.022 115.700 -0.050 0.000 2.603 306 S HA 0.147 4.630 4.470 0.022 0.000 0.220 306 S C 1.009 175.556 174.600 -0.088 0.000 0.967 306 S CA -0.130 58.012 58.200 -0.096 0.000 0.920 306 S CB 0.437 63.589 63.200 -0.080 0.000 0.773 306 S HN 0.455 nan 8.310 nan 0.000 0.529 307 R N 1.884 122.353 120.500 -0.052 0.000 2.513 307 R HA 0.257 4.610 4.340 0.022 0.000 0.283 307 R C -1.224 175.010 176.300 -0.110 0.000 1.535 307 R CA -0.085 55.940 56.100 -0.125 0.000 1.315 307 R CB 1.165 31.444 30.300 -0.035 0.000 1.163 307 R HN 0.133 nan 8.270 nan 0.000 0.573 308 T N 3.678 118.137 114.554 -0.158 0.000 2.863 308 T HA 0.230 4.593 4.350 0.022 0.000 0.299 308 T C -0.061 174.569 174.700 -0.116 0.000 0.973 308 T CA 0.014 62.056 62.100 -0.095 0.000 0.994 308 T CB -0.243 68.564 68.868 -0.102 0.000 0.961 308 T HN 0.150 nan 8.240 nan 0.000 0.552 309 F N 2.592 122.553 119.950 0.018 0.000 2.445 309 F HA 0.418 4.964 4.527 0.032 0.000 0.359 309 F C 0.407 176.376 175.800 0.283 0.000 1.101 309 F CA -0.658 57.435 58.000 0.154 0.000 1.177 309 F CB 0.754 39.741 39.000 -0.020 0.000 1.110 309 F HN 0.182 nan 8.300 nan 0.000 0.522 310 V N 3.837 124.016 119.914 0.442 0.000 2.588 310 V HA 0.249 4.382 4.120 0.022 0.000 0.304 310 V C -0.141 175.855 176.094 -0.164 0.000 1.042 310 V CA -1.137 61.227 62.300 0.107 0.000 0.877 310 V CB 1.607 33.296 31.823 -0.224 0.000 0.996 310 V HN 0.547 nan 8.190 nan 0.000 0.425 311 Q N 3.069 122.520 119.800 -0.582 0.000 2.330 311 Q HA 0.004 4.357 4.340 0.022 0.000 0.279 311 Q C 1.475 177.273 176.000 -0.336 0.000 1.024 311 Q CA 0.403 55.642 55.803 -0.939 0.000 0.900 311 Q CB 1.075 29.459 28.738 -0.589 0.000 1.221 311 Q HN 1.026 nan 8.270 nan 0.000 0.396 312 E N 2.907 122.925 120.200 -0.303 0.000 2.187 312 E HA -0.280 4.083 4.350 0.022 0.000 0.199 312 E C 0.253 176.841 176.600 -0.021 0.000 1.004 312 E CA 1.745 58.074 56.400 -0.118 0.000 0.813 312 E CB 0.073 29.694 29.700 -0.132 0.000 0.736 312 E HN 0.555 nan 8.360 nan 0.000 0.468 313 D N 1.138 121.512 120.400 -0.043 0.000 2.178 313 D HA -0.088 4.566 4.640 0.022 0.000 0.202 313 D C 2.090 178.417 176.300 0.046 0.000 0.974 313 D CA 1.487 55.489 54.000 0.003 0.000 0.841 313 D CB -0.021 40.775 40.800 -0.007 0.000 0.953 313 D HN 0.610 nan 8.370 nan 0.000 0.478 314 I N -3.224 117.380 120.570 0.056 0.000 4.082 314 I HA 0.151 4.334 4.170 0.022 0.000 0.337 314 I C 1.932 178.138 176.117 0.149 0.000 1.352 314 I CA -0.547 60.813 61.300 0.099 0.000 1.097 314 I CB -0.119 37.944 38.000 0.107 0.000 1.048 314 I HN -0.241 nan 8.210 nan 0.000 0.393 315 Y N 2.962 123.271 120.300 0.016 0.000 1.993 315 Y HA -0.350 4.224 4.550 0.041 0.000 0.267 315 Y C 2.211 178.173 175.900 0.104 0.000 1.155 315 Y CA 2.462 60.586 58.100 0.039 0.000 1.105 315 Y CB -0.224 38.232 38.460 -0.007 0.000 0.960 315 Y HN 0.221 nan 8.280 nan 0.000 0.486 316 D N 0.077 120.612 120.400 0.226 0.000 2.133 316 D HA -0.233 4.420 4.640 0.022 0.000 0.192 316 D C 2.091 178.405 176.300 0.023 0.000 1.001 316 D CA 1.790 55.856 54.000 0.110 0.000 0.844 316 D CB -0.392 40.500 40.800 0.153 0.000 0.944 316 D HN 0.579 nan 8.370 nan 0.000 0.447 317 E N -0.254 119.979 120.200 0.055 0.000 2.031 317 E HA -0.163 4.201 4.350 0.022 0.000 0.193 317 E C 2.136 178.742 176.600 0.010 0.000 0.994 317 E CA 0.522 56.943 56.400 0.034 0.000 0.800 317 E CB -0.275 29.459 29.700 0.056 0.000 0.752 317 E HN 0.245 nan 8.360 nan 0.000 0.447 318 F N 1.023 120.917 119.950 -0.094 0.000 2.095 318 F HA -0.263 4.270 4.527 0.010 0.000 0.298 318 F C 2.282 177.985 175.800 -0.162 0.000 1.104 318 F CA 1.294 59.225 58.000 -0.116 0.000 1.232 318 F CB -0.206 38.721 39.000 -0.121 0.000 0.987 318 F HN -0.158 nan 8.300 nan 0.000 0.475 319 V N 0.378 120.296 119.914 0.007 0.000 2.287 319 V HA -0.349 3.784 4.120 0.022 0.000 0.248 319 V C 2.359 178.404 176.094 -0.083 0.000 1.053 319 V CA 2.375 64.619 62.300 -0.094 0.000 1.027 319 V CB -0.795 30.855 31.823 -0.289 0.000 0.646 319 V HN 0.427 nan 8.190 nan 0.000 0.447 320 E N 0.035 120.189 120.200 -0.077 0.000 2.038 320 E HA -0.271 4.092 4.350 0.022 0.000 0.195 320 E C 2.492 179.033 176.600 -0.098 0.000 1.000 320 E CA 1.663 58.025 56.400 -0.064 0.000 0.803 320 E CB -0.069 29.606 29.700 -0.041 0.000 0.750 320 E HN 0.525 nan 8.360 nan 0.000 0.448 321 R N -0.050 120.361 120.500 -0.149 0.000 2.096 321 R HA -0.071 4.282 4.340 0.022 0.000 0.235 321 R C 2.642 178.810 176.300 -0.220 0.000 1.127 321 R CA 1.434 57.417 56.100 -0.194 0.000 0.968 321 R CB -0.174 29.973 30.300 -0.256 0.000 0.861 321 R HN 0.064 nan 8.270 nan 0.000 0.440 322 S N 0.344 115.887 115.700 -0.260 0.000 2.368 322 S HA -0.107 4.376 4.470 0.022 0.000 0.225 322 S C 2.105 176.682 174.600 -0.039 0.000 1.030 322 S CA 1.264 59.369 58.200 -0.159 0.000 0.999 322 S CB -0.164 62.984 63.200 -0.087 0.000 0.844 322 S HN 0.073 nan 8.310 nan 0.000 0.459 323 V N 2.002 121.890 119.914 -0.043 0.000 2.343 323 V HA -0.187 3.946 4.120 0.022 0.000 0.247 323 V C 2.640 178.700 176.094 -0.057 0.000 1.051 323 V CA 1.638 63.921 62.300 -0.028 0.000 1.036 323 V CB -1.199 30.607 31.823 -0.029 0.000 0.654 323 V HN 0.540 nan 8.190 nan 0.000 0.451 324 A N 0.256 123.028 122.820 -0.080 0.000 1.902 324 A HA -0.258 4.075 4.320 0.022 0.000 0.217 324 A C 2.305 179.816 177.584 -0.122 0.000 1.181 324 A CA 2.169 54.151 52.037 -0.091 0.000 0.623 324 A CB -0.505 18.439 19.000 -0.093 0.000 0.818 324 A HN 0.453 nan 8.150 nan 0.000 0.443 325 R N 0.139 120.544 120.500 -0.158 0.000 2.075 325 R HA 0.040 4.393 4.340 0.022 0.000 0.232 325 R C 2.150 178.300 176.300 -0.251 0.000 1.126 325 R CA 1.876 57.817 56.100 -0.265 0.000 0.963 325 R CB -0.933 29.146 30.300 -0.368 0.000 0.858 325 R HN 0.378 nan 8.270 nan 0.000 0.435 326 A N 0.635 123.393 122.820 -0.103 0.000 1.898 326 A HA -0.127 4.206 4.320 0.022 0.000 0.216 326 A C 1.998 179.491 177.584 -0.152 0.000 1.181 326 A CA 1.600 53.556 52.037 -0.134 0.000 0.620 326 A CB -0.393 18.550 19.000 -0.095 0.000 0.819 326 A HN 0.360 nan 8.150 nan 0.000 0.442 327 K N 0.323 120.659 120.400 -0.107 0.000 2.148 327 K HA -0.097 4.236 4.320 0.022 0.000 0.204 327 K C 2.074 178.621 176.600 -0.088 0.000 1.050 327 K CA 1.511 57.746 56.287 -0.088 0.000 0.942 327 K CB -0.135 32.324 32.500 -0.069 0.000 0.724 327 K HN 0.661 nan 8.250 nan 0.000 0.446 328 S N 0.573 116.211 115.700 -0.103 0.000 2.558 328 S HA -0.015 4.468 4.470 0.022 0.000 0.217 328 S C 0.821 175.367 174.600 -0.089 0.000 0.975 328 S CA -0.257 57.888 58.200 -0.092 0.000 0.912 328 S CB -0.094 63.046 63.200 -0.100 0.000 0.776 328 S HN 0.145 nan 8.310 nan 0.000 0.526 329 R N 2.170 122.607 120.500 -0.105 0.000 2.399 329 R HA 0.204 4.557 4.340 0.022 0.000 0.324 329 R C -0.908 175.364 176.300 -0.047 0.000 1.030 329 R CA -0.155 55.900 56.100 -0.075 0.000 0.984 329 R CB 0.027 30.264 30.300 -0.104 0.000 0.961 329 R HN 0.156 nan 8.270 nan 0.000 0.433 330 V N 6.367 126.268 119.914 -0.021 0.000 2.450 330 V HA 0.033 4.166 4.120 0.022 0.000 0.281 330 V C 0.199 176.301 176.094 0.012 0.000 1.019 330 V CA 0.014 62.308 62.300 -0.010 0.000 1.062 330 V CB 1.032 32.854 31.823 -0.002 0.000 0.979 330 V HN 0.465 nan 8.190 nan 0.000 0.477 331 V N 5.200 125.118 119.914 0.007 0.000 2.435 331 V HA 0.985 5.118 4.120 0.022 0.000 0.290 331 V C 0.639 176.720 176.094 -0.021 0.000 1.030 331 V CA 0.588 62.919 62.300 0.051 0.000 0.881 331 V CB 1.068 32.937 31.823 0.076 0.000 0.983 331 V HN 1.133 nan 8.190 nan 0.000 0.445 332 G N 3.545 112.361 108.800 0.027 0.000 2.356 332 G HA2 0.144 4.117 3.960 0.022 0.000 0.281 332 G HA3 0.144 4.117 3.960 0.022 0.000 0.281 332 G C -0.998 173.937 174.900 0.059 0.000 1.246 332 G CA -0.844 44.170 45.100 -0.143 0.000 0.889 332 G HN 0.584 nan 8.290 nan 0.000 0.486 333 N N 2.140 120.840 118.700 0.001 0.000 2.417 333 N HA 0.156 4.909 4.740 0.022 0.000 0.272 333 N C -0.602 174.980 175.510 0.120 0.000 1.304 333 N CA -1.216 51.906 53.050 0.119 0.000 0.906 333 N CB 1.305 39.845 38.487 0.088 0.000 1.135 333 N HN 0.152 nan 8.380 nan 0.000 0.483 334 P HA -0.152 nan 4.420 nan 0.000 0.223 334 P C 0.765 177.989 177.300 -0.127 0.000 1.144 334 P CA 1.240 64.303 63.100 -0.061 0.000 0.783 334 P CB -0.050 31.535 31.700 -0.191 0.000 0.771 335 F N -0.359 119.633 119.950 0.071 0.000 2.664 335 F HA 0.097 4.639 4.527 0.024 0.000 0.296 335 F C 1.332 177.145 175.800 0.022 0.000 1.125 335 F CA -0.042 57.973 58.000 0.026 0.000 1.444 335 F CB -0.047 38.923 39.000 -0.049 0.000 1.114 335 F HN -0.155 nan 8.300 nan 0.000 0.576 336 D N 0.344 120.852 120.400 0.180 0.000 2.317 336 D HA -0.002 4.651 4.640 0.022 0.000 0.252 336 D C 1.246 177.609 176.300 0.105 0.000 1.174 336 D CA 0.215 54.283 54.000 0.112 0.000 0.866 336 D CB 1.385 42.227 40.800 0.069 0.000 1.127 336 D HN 0.134 nan 8.370 nan 0.000 0.467 337 S N 3.479 119.241 115.700 0.103 0.000 2.465 337 S HA -0.233 4.251 4.470 0.022 0.000 0.241 337 S C 1.618 176.263 174.600 0.074 0.000 1.000 337 S CA 0.869 59.130 58.200 0.101 0.000 0.964 337 S CB 0.064 63.318 63.200 0.090 0.000 0.763 337 S HN 0.422 nan 8.310 nan 0.000 0.512 338 K N 1.660 122.094 120.400 0.056 0.000 2.296 338 K HA 0.116 4.449 4.320 0.022 0.000 0.200 338 K C 0.170 176.795 176.600 0.042 0.000 1.048 338 K CA 0.530 56.841 56.287 0.039 0.000 0.966 338 K CB -0.496 32.017 32.500 0.023 0.000 0.754 338 K HN 0.343 nan 8.250 nan 0.000 0.466 339 T N 1.448 116.034 114.554 0.054 0.000 2.888 339 T HA 0.026 4.389 4.350 0.022 0.000 0.301 339 T C 0.507 175.250 174.700 0.071 0.000 1.001 339 T CA 0.123 62.258 62.100 0.058 0.000 1.147 339 T CB 1.094 70.003 68.868 0.069 0.000 0.931 339 T HN 0.239 nan 8.240 nan 0.000 0.541 340 E N 1.460 121.703 120.200 0.071 0.000 2.372 340 E HA 0.071 4.434 4.350 0.022 0.000 0.201 340 E C 0.709 177.365 176.600 0.093 0.000 0.938 340 E CA 0.124 56.579 56.400 0.092 0.000 0.944 340 E CB 0.642 30.394 29.700 0.086 0.000 0.937 340 E HN 0.551 nan 8.360 nan 0.000 0.495 341 Q N 0.252 120.101 119.800 0.082 0.000 2.285 341 Q HA 0.436 4.789 4.340 0.022 0.000 0.269 341 Q C -0.616 175.461 176.000 0.129 0.000 1.030 341 Q CA -0.597 55.255 55.803 0.082 0.000 0.788 341 Q CB 1.834 30.618 28.738 0.077 0.000 1.266 341 Q HN 0.136 nan 8.270 nan 0.000 0.438 342 G N 3.011 111.853 108.800 0.070 0.000 2.574 342 G HA2 0.618 4.591 3.960 0.022 0.000 0.248 342 G HA3 0.618 4.591 3.960 0.022 0.000 0.248 342 G C -2.557 172.257 174.900 -0.143 0.000 1.422 342 G CA -0.950 44.196 45.100 0.076 0.000 1.051 342 G HN 0.563 nan 8.290 nan 0.000 0.560 343 P HA 0.251 nan 4.420 nan 0.000 0.280 343 P C -0.905 176.180 177.300 -0.357 0.000 1.272 343 P CA -0.484 62.078 63.100 -0.897 0.000 0.819 343 P CB 1.319 32.165 31.700 -1.423 0.000 1.122 344 Q N 0.143 119.825 119.800 -0.198 0.000 2.443 344 Q HA 0.045 4.398 4.340 0.022 0.000 0.232 344 Q C 1.401 177.279 176.000 -0.203 0.000 1.026 344 Q CA -0.293 55.443 55.803 -0.113 0.000 0.924 344 Q CB 0.158 28.907 28.738 0.019 0.000 1.256 344 Q HN 0.221 nan 8.270 nan 0.000 0.519 345 V N 0.608 120.326 119.914 -0.328 0.000 2.324 345 V HA -0.239 3.894 4.120 0.022 0.000 0.250 345 V C 0.368 176.195 176.094 -0.445 0.000 1.060 345 V CA 2.798 64.823 62.300 -0.459 0.000 1.042 345 V CB -0.103 31.150 31.823 -0.950 0.000 0.650 345 V HN 1.010 nan 8.190 nan 0.000 0.450 346 D N -3.538 116.514 120.400 -0.581 0.000 2.692 346 D HA 0.124 4.777 4.640 0.022 0.000 0.303 346 D C 0.645 176.312 176.300 -1.055 0.000 1.278 346 D CA -0.063 53.479 54.000 -0.762 0.000 0.852 346 D CB 0.647 41.132 40.800 -0.524 0.000 1.375 346 D HN 0.011 nan 8.370 nan 0.000 0.453 347 E N -0.606 118.874 120.200 -1.199 0.000 2.110 347 E HA -0.172 4.191 4.350 0.022 0.000 0.193 347 E C 1.135 177.595 176.600 -0.232 0.000 0.988 347 E CA 1.796 57.763 56.400 -0.721 0.000 0.804 347 E CB -0.060 29.439 29.700 -0.336 0.000 0.745 347 E HN 0.529 nan 8.360 nan 0.000 0.458 348 T N 1.144 115.563 114.554 -0.225 0.000 2.652 348 T HA -0.186 4.177 4.350 0.022 0.000 0.267 348 T C 1.810 176.465 174.700 -0.076 0.000 1.039 348 T CA 1.318 63.349 62.100 -0.116 0.000 1.153 348 T CB -0.182 68.621 68.868 -0.108 0.000 0.863 348 T HN 0.155 nan 8.240 nan 0.000 0.428 349 Q N 0.078 119.808 119.800 -0.117 0.000 2.050 349 Q HA -0.013 4.340 4.340 0.022 0.000 0.202 349 Q C 2.087 178.119 176.000 0.054 0.000 0.980 349 Q CA 1.145 56.938 55.803 -0.017 0.000 0.840 349 Q CB -0.824 27.863 28.738 -0.085 0.000 0.898 349 Q HN 0.536 nan 8.270 nan 0.000 0.424 350 F N 2.002 121.857 119.950 -0.158 0.000 2.063 350 F HA -0.281 4.258 4.527 0.020 0.000 0.298 350 F C 2.038 177.830 175.800 -0.013 0.000 1.109 350 F CA 1.824 59.783 58.000 -0.068 0.000 1.212 350 F CB -0.115 38.832 39.000 -0.088 0.000 0.973 350 F HN 0.001 nan 8.300 nan 0.000 0.480 351 K N -0.002 120.382 120.400 -0.026 0.000 2.057 351 K HA -0.215 4.118 4.320 0.022 0.000 0.207 351 K C 2.243 178.774 176.600 -0.114 0.000 1.049 351 K CA 1.578 57.793 56.287 -0.120 0.000 0.931 351 K CB -0.328 32.153 32.500 -0.032 0.000 0.714 351 K HN 0.248 nan 8.250 nan 0.000 0.440 352 K N 1.339 121.703 120.400 -0.060 0.000 2.063 352 K HA -0.155 4.178 4.320 0.022 0.000 0.208 352 K C 2.026 178.615 176.600 -0.019 0.000 1.048 352 K CA 1.331 57.577 56.287 -0.069 0.000 0.928 352 K CB -0.088 32.419 32.500 0.011 0.000 0.713 352 K HN 0.052 nan 8.250 nan 0.000 0.442 353 I N 1.162 121.774 120.570 0.071 0.000 2.179 353 I HA -0.306 3.877 4.170 0.022 0.000 0.242 353 I C 2.236 178.393 176.117 0.066 0.000 1.088 353 I CA 1.077 62.469 61.300 0.153 0.000 1.357 353 I CB -0.236 37.835 38.000 0.119 0.000 1.051 353 I HN 0.179 nan 8.210 nan 0.000 0.409 354 L N 0.482 121.650 121.223 -0.092 0.000 2.081 354 L HA -0.197 4.156 4.340 0.022 0.000 0.212 354 L C 2.633 179.475 176.870 -0.047 0.000 1.080 354 L CA 1.604 56.374 54.840 -0.117 0.000 0.754 354 L CB -1.164 40.736 42.059 -0.264 0.000 0.893 354 L HN 0.376 nan 8.230 nan 0.000 0.433 355 G N -1.282 107.467 108.800 -0.084 0.000 2.402 355 G HA2 -0.269 3.704 3.960 0.022 0.000 0.216 355 G HA3 -0.269 3.704 3.960 0.022 0.000 0.216 355 G C 1.392 176.253 174.900 -0.066 0.000 1.162 355 G CA 0.470 45.500 45.100 -0.115 0.000 0.777 355 G HN 0.311 nan 8.290 nan 0.000 0.539 356 Y N 0.426 120.734 120.300 0.014 0.000 2.224 356 Y HA -0.019 4.543 4.550 0.021 0.000 0.289 356 Y C 2.782 178.714 175.900 0.053 0.000 1.146 356 Y CA 0.480 58.594 58.100 0.022 0.000 1.182 356 Y CB -0.027 38.455 38.460 0.037 0.000 0.983 356 Y HN 0.115 nan 8.280 nan 0.000 0.524 357 I N 0.142 120.874 120.570 0.271 0.000 2.179 357 I HA -0.364 3.819 4.170 0.022 0.000 0.242 357 I C 2.481 178.766 176.117 0.280 0.000 1.088 357 I CA 1.545 63.049 61.300 0.340 0.000 1.357 357 I CB -0.493 37.642 38.000 0.226 0.000 1.051 357 I HN 0.381 nan 8.210 nan 0.000 0.409 358 N N 0.501 119.288 118.700 0.145 0.000 2.166 358 N HA -0.172 4.581 4.740 0.022 0.000 0.186 358 N C 1.698 177.252 175.510 0.074 0.000 1.019 358 N CA 1.978 55.087 53.050 0.097 0.000 0.856 358 N CB 0.068 38.578 38.487 0.039 0.000 0.993 358 N HN 0.285 nan 8.380 nan 0.000 0.426 359 T N -0.198 114.390 114.554 0.055 0.000 2.746 359 T HA -0.069 4.294 4.350 0.022 0.000 0.267 359 T C 1.827 176.504 174.700 -0.038 0.000 1.039 359 T CA 1.395 63.509 62.100 0.023 0.000 1.142 359 T CB -0.804 68.101 68.868 0.063 0.000 0.866 359 T HN 0.449 nan 8.240 nan 0.000 0.444 360 G N 1.805 110.532 108.800 -0.122 0.000 2.446 360 G HA2 -0.221 3.752 3.960 0.022 0.000 0.217 360 G HA3 -0.221 3.752 3.960 0.022 0.000 0.217 360 G C 1.608 176.362 174.900 -0.244 0.000 1.168 360 G CA 0.705 45.513 45.100 -0.486 0.000 0.771 360 G HN 0.433 nan 8.290 nan 0.000 0.551 361 K N -0.327 120.122 120.400 0.082 0.000 2.057 361 K HA -0.114 4.219 4.320 0.022 0.000 0.207 361 K C 2.603 179.247 176.600 0.072 0.000 1.049 361 K CA 1.355 57.752 56.287 0.184 0.000 0.931 361 K CB -0.164 32.460 32.500 0.207 0.000 0.714 361 K HN 0.186 nan 8.250 nan 0.000 0.440 362 Q N 1.346 121.169 119.800 0.038 0.000 2.135 362 Q HA -0.150 4.203 4.340 0.022 0.000 0.204 362 Q C 1.242 177.244 176.000 0.002 0.000 0.981 362 Q CA 1.599 57.414 55.803 0.019 0.000 0.856 362 Q CB 0.110 28.855 28.738 0.012 0.000 0.902 362 Q HN 0.327 nan 8.270 nan 0.000 0.425 363 E N -2.021 118.164 120.200 -0.024 0.000 2.481 363 E HA 0.115 4.478 4.350 0.022 0.000 0.195 363 E C 0.567 177.153 176.600 -0.023 0.000 1.047 363 E CA 0.434 56.814 56.400 -0.033 0.000 0.867 363 E CB 0.290 29.951 29.700 -0.065 0.000 0.858 363 E HN 0.474 nan 8.360 nan 0.000 0.513 364 G N 1.139 109.936 108.800 -0.005 0.000 2.134 364 G HA2 -0.234 3.739 3.960 0.022 0.000 0.209 364 G HA3 -0.234 3.739 3.960 0.022 0.000 0.209 364 G C 0.184 175.102 174.900 0.031 0.000 0.993 364 G CA -0.084 45.028 45.100 0.020 0.000 0.669 364 G HN 0.410 nan 8.290 nan 0.000 0.519 365 A N 0.193 123.015 122.820 0.002 0.000 2.366 365 A HA 0.652 4.985 4.320 0.022 0.000 0.272 365 A C 0.639 178.386 177.584 0.272 0.000 1.135 365 A CA 0.188 52.251 52.037 0.043 0.000 0.804 365 A CB 0.481 19.330 19.000 -0.251 0.000 1.064 365 A HN 0.499 nan 8.150 nan 0.000 0.499 366 K N 2.773 123.332 120.400 0.264 0.000 2.336 366 K HA 0.182 4.516 4.320 0.022 0.000 0.290 366 K C -0.574 176.179 176.600 0.254 0.000 1.067 366 K CA -0.354 56.073 56.287 0.233 0.000 0.962 366 K CB -0.062 32.532 32.500 0.157 0.000 1.008 366 K HN 0.603 nan 8.250 nan 0.000 0.467 367 L N 6.332 127.654 121.223 0.165 0.000 2.433 367 L HA 0.042 4.395 4.340 0.022 0.000 0.275 367 L C 0.385 177.199 176.870 -0.093 0.000 1.128 367 L CA 0.590 55.336 54.840 -0.156 0.000 0.875 367 L CB 0.431 42.386 42.059 -0.173 0.000 1.171 367 L HN 0.770 nan 8.230 nan 0.000 0.463 368 L N 4.783 125.934 121.223 -0.119 0.000 2.354 368 L HA 0.193 4.546 4.340 0.022 0.000 0.212 368 L C 0.491 177.321 176.870 -0.067 0.000 1.091 368 L CA 0.254 55.062 54.840 -0.053 0.000 0.828 368 L CB -0.081 41.971 42.059 -0.012 0.000 0.973 368 L HN 0.838 nan 8.230 nan 0.000 0.461 369 C N -3.487 115.747 119.300 -0.110 0.000 3.275 369 C HA 0.728 5.201 4.460 0.022 0.000 0.340 369 C C 0.801 175.727 174.990 -0.108 0.000 1.366 369 C CA -0.631 58.336 59.018 -0.085 0.000 1.227 369 C CB 0.800 28.507 27.740 -0.056 0.000 1.512 369 C HN 0.599 nan 8.230 nan 0.000 0.461 370 G N 0.785 109.542 108.800 -0.071 0.000 2.596 370 G HA2 0.311 4.284 3.960 0.022 0.000 0.295 370 G HA3 0.311 4.284 3.960 0.022 0.000 0.295 370 G C 1.387 176.243 174.900 -0.074 0.000 1.240 370 G CA 2.464 47.531 45.100 -0.055 0.000 0.985 370 G HN 3.358 nan 8.290 nan 0.000 0.555 371 G N -1.991 106.772 108.800 -0.063 0.000 2.159 371 G HA2 0.422 4.395 3.960 0.022 0.000 0.227 371 G HA3 0.422 4.395 3.960 0.022 0.000 0.227 371 G C 1.378 176.273 174.900 -0.008 0.000 0.986 371 G CA 0.968 46.032 45.100 -0.060 0.000 0.651 371 G HN 2.546 nan 8.290 nan 0.000 0.523 372 G N -1.090 107.715 108.800 0.009 0.000 2.921 372 G HA2 0.685 4.658 3.960 0.022 0.000 0.291 372 G HA3 0.685 4.658 3.960 0.022 0.000 0.291 372 G C -0.389 174.547 174.900 0.060 0.000 1.370 372 G CA -0.811 44.302 45.100 0.021 0.000 0.847 372 G HN 0.625 nan 8.290 nan 0.000 0.532 373 I N 1.313 121.937 120.570 0.090 0.000 2.529 373 I HA 0.295 4.478 4.170 0.022 0.000 0.284 373 I C 1.467 177.684 176.117 0.166 0.000 1.082 373 I CA -0.203 61.218 61.300 0.202 0.000 1.406 373 I CB 1.773 39.938 38.000 0.275 0.000 1.405 373 I HN 0.561 nan 8.210 nan 0.000 0.548 374 A N 5.105 128.050 122.820 0.209 0.000 2.132 374 A HA 0.591 4.924 4.320 0.022 0.000 0.213 374 A C 0.883 178.495 177.584 0.046 0.000 1.154 374 A CA 0.781 52.892 52.037 0.123 0.000 0.753 374 A CB 0.081 19.173 19.000 0.153 0.000 0.826 374 A HN 0.800 nan 8.150 nan 0.000 0.469 375 A N -0.218 122.653 122.820 0.085 0.000 2.594 375 A HA 0.513 4.846 4.320 0.022 0.000 0.295 375 A C -0.277 177.328 177.584 0.036 0.000 1.071 375 A CA 0.106 52.129 52.037 -0.023 0.000 0.685 375 A CB 0.598 19.459 19.000 -0.231 0.000 1.285 375 A HN 0.220 nan 8.150 nan 0.000 0.405 376 D N 0.230 120.625 120.400 -0.008 0.000 2.328 376 D HA 0.051 4.704 4.640 0.022 0.000 0.226 376 D C 0.415 176.699 176.300 -0.027 0.000 1.066 376 D CA 0.288 54.291 54.000 0.005 0.000 0.861 376 D CB 0.474 41.272 40.800 -0.002 0.000 0.912 376 D HN 0.438 nan 8.370 nan 0.000 0.521 377 R N -0.249 120.224 120.500 -0.045 0.000 2.584 377 R HA 0.469 4.822 4.340 0.022 0.000 0.276 377 R C -0.195 176.074 176.300 -0.052 0.000 1.046 377 R CA 0.183 56.231 56.100 -0.087 0.000 0.906 377 R CB 1.874 32.130 30.300 -0.074 0.000 1.215 377 R HN 0.115 nan 8.270 nan 0.000 0.449 378 G N 1.851 110.468 108.800 -0.306 0.000 2.728 378 G HA2 -0.282 3.691 3.960 0.022 0.000 0.294 378 G HA3 -0.282 3.691 3.960 0.022 0.000 0.294 378 G C -1.074 173.281 174.900 -0.909 0.000 1.342 378 G CA -0.287 44.498 45.100 -0.525 0.000 0.866 378 G HN 0.594 nan 8.290 nan 0.000 0.534 379 Y N -0.182 119.744 120.300 -0.624 0.000 2.724 379 Y HA 0.539 5.100 4.550 0.019 0.000 0.370 379 Y C 0.530 176.111 175.900 -0.531 0.000 0.978 379 Y CA -0.752 56.757 58.100 -0.985 0.000 1.443 379 Y CB 0.119 38.102 38.460 -0.794 0.000 1.386 379 Y HN 0.341 nan 8.280 nan 0.000 0.557 380 F N 1.680 121.584 119.950 -0.078 0.000 2.410 380 F HA 0.435 4.971 4.527 0.015 0.000 0.348 380 F C 0.260 176.234 175.800 0.289 0.000 1.106 380 F CA -0.703 57.358 58.000 0.101 0.000 1.163 380 F CB 0.576 39.587 39.000 0.018 0.000 1.129 380 F HN 0.038 nan 8.300 nan 0.000 0.516 381 I N 2.760 123.564 120.570 0.390 0.000 2.509 381 I HA 0.238 4.421 4.170 0.022 0.000 0.293 381 I C -0.483 175.751 176.117 0.194 0.000 1.020 381 I CA -1.026 60.449 61.300 0.291 0.000 1.088 381 I CB 1.984 40.121 38.000 0.228 0.000 1.267 381 I HN 0.521 nan 8.210 nan 0.000 0.430 382 Q N 5.996 125.877 119.800 0.135 0.000 2.337 382 Q HA 0.173 4.526 4.340 0.022 0.000 0.270 382 Q C -2.307 173.734 176.000 0.069 0.000 1.002 382 Q CA -1.526 54.323 55.803 0.076 0.000 0.888 382 Q CB 0.133 28.894 28.738 0.039 0.000 1.222 382 Q HN 0.250 nan 8.270 nan 0.000 0.400 383 P HA -0.048 nan 4.420 nan 0.000 0.261 383 P C -1.113 176.230 177.300 0.071 0.000 1.203 383 P CA 0.538 63.635 63.100 -0.004 0.000 0.767 383 P CB 0.553 32.033 31.700 -0.367 0.000 0.785 384 T N 2.906 117.590 114.554 0.218 0.000 2.855 384 T HA 0.503 4.866 4.350 0.022 0.000 0.281 384 T C -0.308 174.455 174.700 0.105 0.000 1.007 384 T CA -0.475 61.663 62.100 0.064 0.000 1.009 384 T CB 1.078 69.936 68.868 -0.017 0.000 0.983 384 T HN -0.048 nan 8.240 nan 0.000 0.455 385 V N 3.248 123.132 119.914 -0.051 0.000 2.531 385 V HA 0.522 4.655 4.120 0.022 0.000 0.301 385 V C -1.117 174.898 176.094 -0.132 0.000 1.034 385 V CA -0.915 61.389 62.300 0.006 0.000 0.865 385 V CB 1.396 33.260 31.823 0.069 0.000 0.995 385 V HN 0.858 nan 8.190 nan 0.000 0.424 386 F N 2.424 122.402 119.950 0.047 0.000 2.426 386 F HA 0.747 5.320 4.527 0.077 0.000 0.348 386 F C 0.919 176.746 175.800 0.046 0.000 1.124 386 F CA -0.336 57.687 58.000 0.039 0.000 1.008 386 F CB 2.056 41.069 39.000 0.021 0.000 1.139 386 F HN 0.627 nan 8.300 nan 0.000 0.452 387 G N 1.082 110.040 108.800 0.263 0.000 2.491 387 G HA2 0.314 4.287 3.960 0.022 0.000 0.327 387 G HA3 0.314 4.287 3.960 0.022 0.000 0.327 387 G C -0.372 174.664 174.900 0.227 0.000 1.189 387 G CA -0.579 44.657 45.100 0.228 0.000 0.956 387 G HN 0.736 nan 8.290 nan 0.000 0.491 388 D N -1.225 119.333 120.400 0.264 0.000 2.751 388 D HA -0.167 4.486 4.640 0.022 0.000 0.233 388 D C 0.621 176.962 176.300 0.069 0.000 1.149 388 D CA 0.640 54.723 54.000 0.138 0.000 0.682 388 D CB -1.172 39.688 40.800 0.099 0.000 1.068 388 D HN 0.183 nan 8.370 nan 0.000 0.429 389 V N 0.868 120.817 119.914 0.059 0.000 2.655 389 V HA -0.012 4.121 4.120 0.022 0.000 0.300 389 V C 0.932 177.005 176.094 -0.035 0.000 1.044 389 V CA 0.328 62.621 62.300 -0.012 0.000 1.095 389 V CB 1.571 33.366 31.823 -0.046 0.000 0.952 389 V HN 0.064 nan 8.190 nan 0.000 0.485 390 Q N 2.206 121.983 119.800 -0.038 0.000 2.248 390 Q HA 0.323 4.676 4.340 0.022 0.000 0.263 390 Q C 0.455 176.441 176.000 -0.024 0.000 1.007 390 Q CA -0.760 55.030 55.803 -0.021 0.000 0.877 390 Q CB 1.450 30.183 28.738 -0.009 0.000 1.315 390 Q HN 0.664 nan 8.270 nan 0.000 0.454 391 D N 1.123 121.528 120.400 0.008 0.000 2.104 391 D HA -0.122 4.531 4.640 0.022 0.000 0.194 391 D C 1.580 177.889 176.300 0.014 0.000 0.994 391 D CA 1.780 55.796 54.000 0.027 0.000 0.830 391 D CB -0.195 40.646 40.800 0.070 0.000 0.959 391 D HN 0.830 nan 8.370 nan 0.000 0.452 392 G N -0.171 108.635 108.800 0.010 0.000 2.559 392 G HA2 -0.089 3.884 3.960 0.022 0.000 0.216 392 G HA3 -0.089 3.884 3.960 0.022 0.000 0.216 392 G C 0.698 175.594 174.900 -0.006 0.000 1.126 392 G CA -0.060 45.043 45.100 0.005 0.000 0.778 392 G HN 0.181 nan 8.290 nan 0.000 0.543 393 M N 0.771 120.357 119.600 -0.022 0.000 2.245 393 M HA 0.108 4.601 4.480 0.022 0.000 0.344 393 M C 1.786 178.065 176.300 -0.035 0.000 1.170 393 M CA -0.025 55.249 55.300 -0.042 0.000 1.135 393 M CB 0.877 33.429 32.600 -0.079 0.000 1.574 393 M HN -0.062 nan 8.290 nan 0.000 0.452 394 T N 2.556 117.097 114.554 -0.022 0.000 2.746 394 T HA -0.112 4.251 4.350 0.022 0.000 0.267 394 T C 1.534 176.221 174.700 -0.023 0.000 1.039 394 T CA 1.622 63.731 62.100 0.016 0.000 1.142 394 T CB -0.447 68.462 68.868 0.068 0.000 0.866 394 T HN 0.781 nan 8.240 nan 0.000 0.444 395 I N -0.385 120.132 120.570 -0.088 0.000 3.083 395 I HA 0.207 4.390 4.170 0.022 0.000 0.273 395 I C 2.149 178.176 176.117 -0.149 0.000 1.297 395 I CA 0.765 61.962 61.300 -0.170 0.000 1.452 395 I CB -0.366 37.477 38.000 -0.263 0.000 1.078 395 I HN 0.087 nan 8.210 nan 0.000 0.484 396 A N 0.782 123.541 122.820 -0.101 0.000 2.303 396 A HA 0.240 4.573 4.320 0.022 0.000 0.217 396 A C 2.093 179.667 177.584 -0.016 0.000 1.205 396 A CA 0.029 52.021 52.037 -0.074 0.000 0.875 396 A CB -0.005 18.951 19.000 -0.073 0.000 0.910 396 A HN 0.395 nan 8.150 nan 0.000 0.501 397 K N -0.346 120.054 120.400 -0.000 0.000 2.436 397 K HA 0.170 4.503 4.320 0.022 0.000 0.198 397 K C -0.226 176.445 176.600 0.117 0.000 1.174 397 K CA 0.264 56.586 56.287 0.059 0.000 0.951 397 K CB 0.694 33.220 32.500 0.043 0.000 1.040 397 K HN 0.435 nan 8.250 nan 0.000 0.536 398 E N 1.549 121.776 120.200 0.044 0.000 2.202 398 E HA 0.106 4.469 4.350 0.022 0.000 0.272 398 E C -1.094 175.440 176.600 -0.110 0.000 0.951 398 E CA -0.445 55.993 56.400 0.063 0.000 0.813 398 E CB 1.955 31.713 29.700 0.096 0.000 1.151 398 E HN 0.050 nan 8.360 nan 0.000 0.398 399 E N 2.917 123.102 120.200 -0.024 0.000 2.220 399 E HA -0.005 4.358 4.350 0.022 0.000 0.272 399 E C 0.354 176.854 176.600 -0.167 0.000 1.099 399 E CA 0.033 56.371 56.400 -0.104 0.000 0.907 399 E CB 0.282 29.917 29.700 -0.108 0.000 1.022 399 E HN 0.520 nan 8.360 nan 0.000 0.428 400 I N 4.438 124.854 120.570 -0.257 0.000 2.584 400 I HA -0.091 4.092 4.170 0.022 0.000 0.255 400 I C 0.557 176.789 176.117 0.191 0.000 1.145 400 I CA 0.013 61.161 61.300 -0.253 0.000 1.462 400 I CB 0.006 37.837 38.000 -0.283 0.000 1.102 400 I HN 0.683 nan 8.210 nan 0.000 0.433 401 F N 1.815 121.739 119.950 -0.043 0.000 3.100 401 F HA -0.214 4.328 4.527 0.024 0.000 0.283 401 F C 0.600 176.431 175.800 0.052 0.000 0.900 401 F CA 0.691 58.701 58.000 0.017 0.000 1.010 401 F CB -1.396 37.657 39.000 0.088 0.000 1.029 401 F HN 0.156 nan 8.300 nan 0.000 0.637 402 G N -0.757 108.079 108.800 0.058 0.000 2.725 402 G HA2 0.627 4.600 3.960 0.022 0.000 0.288 402 G HA3 0.627 4.600 3.960 0.022 0.000 0.288 402 G C -2.839 172.048 174.900 -0.021 0.000 1.399 402 G CA -0.835 44.291 45.100 0.042 0.000 0.859 402 G HN -0.138 nan 8.290 nan 0.000 0.479 403 P HA 0.184 nan 4.420 nan 0.000 0.232 403 P C -0.544 176.831 177.300 0.125 0.000 1.738 403 P CA 0.062 63.240 63.100 0.130 0.000 0.948 403 P CB 0.036 31.923 31.700 0.312 0.000 1.943 404 V N 2.904 122.784 119.914 -0.056 0.000 2.380 404 V HA 0.324 4.457 4.120 0.022 0.000 0.286 404 V C 0.330 176.362 176.094 -0.104 0.000 1.015 404 V CA -0.679 61.634 62.300 0.020 0.000 0.834 404 V CB 1.816 33.719 31.823 0.133 0.000 1.009 404 V HN 0.277 nan 8.190 nan 0.000 0.428 405 M N 4.140 123.675 119.600 -0.108 0.000 2.233 405 M HA 0.541 5.034 4.480 0.022 0.000 0.355 405 M C -0.634 175.691 176.300 0.042 0.000 1.191 405 M CA -0.187 55.029 55.300 -0.140 0.000 1.101 405 M CB 1.232 33.747 32.600 -0.141 0.000 1.592 405 M HN 0.630 nan 8.290 nan 0.000 0.461 406 Q N 5.143 124.934 119.800 -0.016 0.000 2.348 406 Q HA 0.558 4.911 4.340 0.022 0.000 0.265 406 Q C -1.312 174.668 176.000 -0.034 0.000 0.998 406 Q CA 0.027 55.835 55.803 0.008 0.000 0.831 406 Q CB 1.764 30.463 28.738 -0.066 0.000 1.251 406 Q HN 0.690 nan 8.270 nan 0.000 0.456 407 I N 4.214 124.800 120.570 0.027 0.000 2.355 407 I HA 0.341 4.524 4.170 0.022 0.000 0.288 407 I C -0.975 175.184 176.117 0.070 0.000 0.999 407 I CA -0.892 60.421 61.300 0.022 0.000 1.163 407 I CB 0.722 38.755 38.000 0.054 0.000 1.316 407 I HN 0.317 nan 8.210 nan 0.000 0.454 408 L N 6.640 127.834 121.223 -0.048 0.000 2.331 408 L HA 0.505 4.858 4.340 0.022 0.000 0.275 408 L C 0.024 176.998 176.870 0.172 0.000 1.022 408 L CA -0.412 54.401 54.840 -0.046 0.000 0.812 408 L CB 1.216 43.023 42.059 -0.420 0.000 1.257 408 L HN 0.458 nan 8.230 nan 0.000 0.435 409 K N 2.197 122.672 120.400 0.124 0.000 2.182 409 K HA 0.659 4.992 4.320 0.022 0.000 0.262 409 K C -1.356 175.378 176.600 0.225 0.000 0.957 409 K CA -0.464 55.864 56.287 0.069 0.000 0.842 409 K CB 1.150 33.381 32.500 -0.448 0.000 1.099 409 K HN 0.526 nan 8.250 nan 0.000 0.438 410 F N 1.255 121.267 119.950 0.102 0.000 2.650 410 F HA 0.489 5.026 4.527 0.017 0.000 0.320 410 F C 0.274 176.111 175.800 0.062 0.000 1.091 410 F CA -0.933 57.132 58.000 0.108 0.000 0.962 410 F CB 1.599 40.706 39.000 0.179 0.000 1.363 410 F HN 0.515 nan 8.300 nan 0.000 0.482 411 K N -0.049 120.461 120.400 0.183 0.000 2.324 411 K HA 0.219 4.552 4.320 0.022 0.000 0.222 411 K C 0.376 177.067 176.600 0.153 0.000 1.107 411 K CA 0.891 57.200 56.287 0.038 0.000 0.873 411 K CB 0.245 32.771 32.500 0.044 0.000 1.270 411 K HN 0.907 nan 8.250 nan 0.000 0.456 412 T N -1.953 112.752 114.554 0.251 0.000 2.936 412 T HA 0.261 4.624 4.350 0.022 0.000 0.282 412 T C 1.214 176.084 174.700 0.285 0.000 1.003 412 T CA -0.801 61.431 62.100 0.220 0.000 1.005 412 T CB 1.282 70.217 68.868 0.111 0.000 1.097 412 T HN 0.220 nan 8.240 nan 0.000 0.532 413 I N 0.294 120.978 120.570 0.191 0.000 2.439 413 I HA -0.039 4.144 4.170 0.022 0.000 0.251 413 I C 2.131 178.332 176.117 0.141 0.000 1.139 413 I CA 1.239 62.633 61.300 0.158 0.000 1.438 413 I CB -0.026 38.047 38.000 0.121 0.000 1.085 413 I HN 0.748 nan 8.210 nan 0.000 0.427 414 E N 0.599 120.868 120.200 0.114 0.000 2.072 414 E HA -0.260 4.103 4.350 0.022 0.000 0.191 414 E C 1.922 178.549 176.600 0.044 0.000 0.985 414 E CA 1.174 57.646 56.400 0.119 0.000 0.801 414 E CB -0.218 29.529 29.700 0.079 0.000 0.750 414 E HN 0.471 nan 8.360 nan 0.000 0.452 415 E N 0.585 120.810 120.200 0.041 0.000 2.023 415 E HA -0.205 4.158 4.350 0.022 0.000 0.196 415 E C 2.118 178.665 176.600 -0.088 0.000 1.003 415 E CA 1.409 57.821 56.400 0.019 0.000 0.809 415 E CB -0.153 29.601 29.700 0.090 0.000 0.755 415 E HN 0.156 nan 8.360 nan 0.000 0.449 416 V N 0.528 120.318 119.914 -0.208 0.000 2.469 416 V HA -0.209 3.924 4.120 0.022 0.000 0.251 416 V C 2.364 178.151 176.094 -0.511 0.000 1.064 416 V CA 1.471 63.422 62.300 -0.582 0.000 1.066 416 V CB -0.026 31.101 31.823 -1.161 0.000 0.667 416 V HN 0.235 nan 8.190 nan 0.000 0.461 417 V N 0.465 120.209 119.914 -0.282 0.000 2.261 417 V HA -0.157 3.976 4.120 0.022 0.000 0.246 417 V C 2.662 178.634 176.094 -0.204 0.000 1.047 417 V CA 2.226 64.383 62.300 -0.239 0.000 1.015 417 V CB -1.380 30.350 31.823 -0.155 0.000 0.642 417 V HN 0.623 nan 8.190 nan 0.000 0.446 418 G N -0.339 108.380 108.800 -0.135 0.000 2.418 418 G HA2 -0.224 3.749 3.960 0.022 0.000 0.217 418 G HA3 -0.224 3.749 3.960 0.022 0.000 0.217 418 G C 1.727 176.571 174.900 -0.093 0.000 1.158 418 G CA 0.576 45.623 45.100 -0.089 0.000 0.771 418 G HN 0.421 nan 8.290 nan 0.000 0.545 419 R N 0.445 120.866 120.500 -0.133 0.000 2.092 419 R HA 0.072 4.425 4.340 0.022 0.000 0.231 419 R C 2.978 179.221 176.300 -0.096 0.000 1.119 419 R CA 1.043 57.101 56.100 -0.070 0.000 0.970 419 R CB -0.376 29.920 30.300 -0.006 0.000 0.864 419 R HN 0.359 nan 8.270 nan 0.000 0.440 420 A N 1.714 124.323 122.820 -0.353 0.000 1.930 420 A HA -0.126 4.207 4.320 0.022 0.000 0.217 420 A C 1.629 179.158 177.584 -0.092 0.000 1.175 420 A CA 1.248 53.117 52.037 -0.280 0.000 0.627 420 A CB -0.262 18.471 19.000 -0.445 0.000 0.815 420 A HN 0.221 nan 8.150 nan 0.000 0.443 421 N N 0.317 118.951 118.700 -0.111 0.000 2.494 421 N HA -0.053 4.700 4.740 0.022 0.000 0.182 421 N C 0.259 175.757 175.510 -0.020 0.000 1.076 421 N CA 0.348 53.358 53.050 -0.066 0.000 0.908 421 N CB -0.475 37.960 38.487 -0.086 0.000 0.967 421 N HN 0.408 nan 8.380 nan 0.000 0.449 422 N N 0.883 119.580 118.700 -0.005 0.000 3.050 422 N HA 0.058 4.811 4.740 0.022 0.000 0.289 422 N C -1.310 174.222 175.510 0.038 0.000 1.209 422 N CA 0.053 53.112 53.050 0.015 0.000 1.154 422 N CB -0.177 38.324 38.487 0.024 0.000 1.444 422 N HN -0.095 nan 8.380 nan 0.000 0.529 423 S N -0.346 115.372 115.700 0.029 0.000 2.552 423 S HA 0.261 4.744 4.470 0.022 0.000 0.272 423 S C 0.762 175.357 174.600 -0.008 0.000 1.150 423 S CA -0.464 57.758 58.200 0.037 0.000 0.849 423 S CB 0.308 63.578 63.200 0.117 0.000 1.113 423 S HN 0.405 nan 8.310 nan 0.000 0.458 424 T N 0.480 114.972 114.554 -0.103 0.000 3.100 424 T HA 0.274 4.638 4.350 0.022 0.000 0.253 424 T C 0.543 175.152 174.700 -0.153 0.000 1.118 424 T CA 0.453 62.455 62.100 -0.165 0.000 1.058 424 T CB -0.480 68.231 68.868 -0.263 0.000 0.953 424 T HN 0.539 nan 8.240 nan 0.000 0.515 425 Y N 0.604 120.922 120.300 0.029 0.000 2.392 425 Y HA 0.568 5.132 4.550 0.023 0.000 0.323 425 Y C 1.327 177.244 175.900 0.028 0.000 1.291 425 Y CA -0.751 57.369 58.100 0.035 0.000 1.345 425 Y CB 1.547 40.032 38.460 0.042 0.000 1.320 425 Y HN 0.138 nan 8.280 nan 0.000 0.518 426 G N 0.944 109.876 108.800 0.220 0.000 5.153 426 G HA2 0.048 4.021 3.960 0.022 0.000 0.213 426 G HA3 0.048 4.021 3.960 0.022 0.000 0.213 426 G C -0.291 174.615 174.900 0.009 0.000 1.576 426 G CA -0.329 44.819 45.100 0.081 0.000 0.640 426 G HN 0.523 nan 8.290 nan 0.000 0.237 427 L N 0.560 121.783 121.223 0.000 0.000 2.068 427 L HA 0.768 5.121 4.340 0.022 0.000 0.204 427 L C 1.179 177.901 176.870 -0.247 0.000 1.076 427 L CA 2.299 57.075 54.840 -0.107 0.000 0.753 427 L CB -0.014 42.033 42.059 -0.019 0.000 0.910 427 L HN 0.549 nan 8.230 nan 0.000 0.439 428 A N -2.075 120.662 122.820 -0.137 0.000 2.583 428 A HA 0.907 5.240 4.320 0.022 0.000 0.289 428 A C -1.442 176.094 177.584 -0.081 0.000 1.151 428 A CA -0.094 51.810 52.037 -0.222 0.000 0.695 428 A CB 0.936 19.863 19.000 -0.123 0.000 1.290 428 A HN 0.484 nan 8.150 nan 0.000 0.419 429 A N -1.284 121.476 122.820 -0.100 0.000 2.586 429 A HA 0.970 5.303 4.320 0.022 0.000 0.291 429 A C -0.778 176.901 177.584 0.157 0.000 1.062 429 A CA 0.097 52.171 52.037 0.063 0.000 0.666 429 A CB 0.613 19.575 19.000 -0.064 0.000 1.281 429 A HN 2.654 nan 8.150 nan 0.000 0.421 430 A N -0.083 122.928 122.820 0.319 0.000 2.520 430 A HA 0.755 5.088 4.320 0.022 0.000 0.298 430 A C -1.469 176.334 177.584 0.364 0.000 1.051 430 A CA -0.466 51.827 52.037 0.427 0.000 0.690 430 A CB 1.606 21.101 19.000 0.826 0.000 1.281 430 A HN 1.730 nan 8.150 nan 0.000 0.402 431 V N 1.661 121.742 119.914 0.279 0.000 2.531 431 V HA 0.544 4.677 4.120 0.022 0.000 0.301 431 V C -1.467 174.753 176.094 0.211 0.000 1.034 431 V CA -0.250 62.195 62.300 0.241 0.000 0.865 431 V CB 1.307 33.193 31.823 0.105 0.000 0.995 431 V HN 0.715 nan 8.190 nan 0.000 0.424 432 F N 3.016 123.076 119.950 0.184 0.000 2.382 432 F HA 0.740 5.288 4.527 0.035 0.000 0.361 432 F C 0.343 176.255 175.800 0.186 0.000 1.109 432 F CA -0.173 57.950 58.000 0.205 0.000 1.031 432 F CB 1.951 41.085 39.000 0.223 0.000 1.234 432 F HN 0.517 nan 8.300 nan 0.000 0.445 433 T N 2.031 116.724 114.554 0.231 0.000 2.886 433 T HA 0.285 4.648 4.350 0.022 0.000 0.330 433 T C 0.154 174.929 174.700 0.125 0.000 1.488 433 T CA -0.664 61.547 62.100 0.185 0.000 1.054 433 T CB 1.476 70.439 68.868 0.158 0.000 1.348 433 T HN 0.615 nan 8.240 nan 0.000 0.489 434 K N 0.803 121.269 120.400 0.110 0.000 2.361 434 K HA 0.182 4.515 4.320 0.022 0.000 0.194 434 K C -0.165 176.468 176.600 0.057 0.000 1.032 434 K CA -0.047 56.284 56.287 0.074 0.000 1.048 434 K CB 0.247 32.789 32.500 0.070 0.000 0.842 434 K HN 0.497 nan 8.250 nan 0.000 0.526 435 D N 0.897 121.336 120.400 0.065 0.000 2.317 435 D HA 0.015 4.668 4.640 0.022 0.000 0.252 435 D C 0.843 177.173 176.300 0.049 0.000 1.174 435 D CA -0.248 53.783 54.000 0.053 0.000 0.866 435 D CB 1.095 41.928 40.800 0.055 0.000 1.127 435 D HN -0.155 nan 8.370 nan 0.000 0.467 436 L N 4.047 125.293 121.223 0.037 0.000 2.012 436 L HA -0.149 4.204 4.340 0.022 0.000 0.210 436 L C 1.280 178.176 176.870 0.044 0.000 1.073 436 L CA 1.957 56.817 54.840 0.034 0.000 0.748 436 L CB -0.346 41.728 42.059 0.025 0.000 0.891 436 L HN 0.497 nan 8.230 nan 0.000 0.431 437 D N -0.532 119.894 120.400 0.043 0.000 2.178 437 D HA -0.147 4.506 4.640 0.022 0.000 0.202 437 D C 2.190 178.543 176.300 0.089 0.000 0.974 437 D CA 1.098 55.129 54.000 0.052 0.000 0.841 437 D CB 0.010 40.824 40.800 0.024 0.000 0.953 437 D HN 0.417 nan 8.370 nan 0.000 0.478 438 K N 0.461 120.911 120.400 0.084 0.000 2.057 438 K HA 0.016 4.349 4.320 0.022 0.000 0.206 438 K C 2.103 178.792 176.600 0.148 0.000 1.050 438 K CA 1.012 57.377 56.287 0.130 0.000 0.935 438 K CB -0.005 32.562 32.500 0.111 0.000 0.715 438 K HN 0.004 nan 8.250 nan 0.000 0.439 439 A N 2.016 124.893 122.820 0.096 0.000 1.877 439 A HA -0.175 4.158 4.320 0.022 0.000 0.216 439 A C 1.843 179.457 177.584 0.050 0.000 1.186 439 A CA 1.559 53.634 52.037 0.063 0.000 0.620 439 A CB -0.430 18.593 19.000 0.040 0.000 0.822 439 A HN 0.216 nan 8.150 nan 0.000 0.443 440 N N -1.604 117.133 118.700 0.062 0.000 2.216 440 N HA -0.133 4.620 4.740 0.022 0.000 0.183 440 N C 1.619 177.166 175.510 0.062 0.000 1.017 440 N CA 1.557 54.635 53.050 0.047 0.000 0.861 440 N CB -0.506 38.011 38.487 0.050 0.000 0.986 440 N HN 0.662 nan 8.380 nan 0.000 0.428 441 Y N 1.926 122.219 120.300 -0.013 0.000 2.114 441 Y HA -0.079 4.484 4.550 0.021 0.000 0.284 441 Y C 2.211 178.091 175.900 -0.034 0.000 1.143 441 Y CA 1.417 59.506 58.100 -0.018 0.000 1.135 441 Y CB -0.532 37.922 38.460 -0.010 0.000 0.980 441 Y HN -0.068 nan 8.280 nan 0.000 0.499 442 L N -0.166 121.009 121.223 -0.081 0.000 2.056 442 L HA -0.185 4.168 4.340 0.022 0.000 0.207 442 L C 2.734 179.492 176.870 -0.187 0.000 1.078 442 L CA 1.543 56.270 54.840 -0.189 0.000 0.749 442 L CB -0.941 41.102 42.059 -0.025 0.000 0.901 442 L HN 0.380 nan 8.230 nan 0.000 0.433 443 S N -0.868 114.763 115.700 -0.115 0.000 2.419 443 S HA -0.281 4.202 4.470 0.022 0.000 0.233 443 S C 1.889 176.395 174.600 -0.157 0.000 1.016 443 S CA 1.363 59.488 58.200 -0.126 0.000 0.974 443 S CB -0.308 62.841 63.200 -0.085 0.000 0.786 443 S HN 0.526 nan 8.310 nan 0.000 0.492 444 Q N 0.876 120.581 119.800 -0.159 0.000 2.165 444 Q HA 0.176 4.529 4.340 0.022 0.000 0.197 444 Q C 2.265 178.145 176.000 -0.201 0.000 0.952 444 Q CA 0.852 56.565 55.803 -0.151 0.000 0.848 444 Q CB -0.421 28.249 28.738 -0.112 0.000 0.931 444 Q HN 0.668 nan 8.270 nan 0.000 0.470 445 A N 1.119 123.756 122.820 -0.305 0.000 1.898 445 A HA 0.022 4.355 4.320 0.022 0.000 0.216 445 A C 1.055 178.484 177.584 -0.257 0.000 1.181 445 A CA 0.348 52.188 52.037 -0.330 0.000 0.620 445 A CB -0.603 18.062 19.000 -0.558 0.000 0.819 445 A HN 0.388 nan 8.150 nan 0.000 0.442 446 L N 0.847 121.910 121.223 -0.266 0.000 2.513 446 L HA 0.001 4.354 4.340 0.022 0.000 0.272 446 L C 0.104 176.787 176.870 -0.312 0.000 1.187 446 L CA -0.031 54.654 54.840 -0.258 0.000 0.895 446 L CB 0.253 42.165 42.059 -0.245 0.000 1.147 446 L HN 0.425 nan 8.230 nan 0.000 0.483 447 Q N 3.648 123.275 119.800 -0.288 0.000 3.006 447 Q HA 0.499 4.852 4.340 0.022 0.000 0.260 447 Q C -0.351 175.274 176.000 -0.626 0.000 1.356 447 Q CA -0.250 55.326 55.803 -0.377 0.000 1.070 447 Q CB 0.824 29.519 28.738 -0.071 0.000 1.507 447 Q HN 0.692 nan 8.270 nan 0.000 0.568 448 A N -0.308 121.932 122.820 -0.965 0.000 2.475 448 A HA 0.697 5.030 4.320 0.022 0.000 0.301 448 A C 0.955 177.971 177.584 -0.947 0.000 1.059 448 A CA -0.452 51.128 52.037 -0.761 0.000 0.710 448 A CB 1.253 20.001 19.000 -0.420 0.000 1.288 448 A HN 0.548 nan 8.150 nan 0.000 0.408 449 G N 0.107 108.604 108.800 -0.505 0.000 2.422 449 G HA2 0.239 4.212 3.960 0.022 0.000 0.218 449 G HA3 0.239 4.212 3.960 0.022 0.000 0.218 449 G C 0.517 175.176 174.900 -0.401 0.000 1.146 449 G CA 1.693 46.630 45.100 -0.271 0.000 0.769 449 G HN 0.824 nan 8.290 nan 0.000 0.547 450 T N -0.173 114.050 114.554 -0.552 0.000 2.937 450 T HA 0.479 4.842 4.350 0.022 0.000 0.297 450 T C -1.038 173.201 174.700 -0.768 0.000 0.991 450 T CA -0.424 61.270 62.100 -0.677 0.000 0.990 450 T CB 2.508 70.857 68.868 -0.865 0.000 0.991 450 T HN -0.065 nan 8.240 nan 0.000 0.440 451 V N 4.164 123.724 119.914 -0.591 0.000 2.357 451 V HA 0.445 4.578 4.120 0.022 0.000 0.284 451 V C -0.534 175.352 176.094 -0.347 0.000 1.018 451 V CA -1.010 61.044 62.300 -0.411 0.000 0.841 451 V CB 1.049 32.718 31.823 -0.257 0.000 0.991 451 V HN 0.753 nan 8.190 nan 0.000 0.437 452 W N 3.623 124.823 121.300 -0.167 0.000 2.417 452 W HA 0.597 5.272 4.660 0.024 0.000 0.317 452 W C -0.558 175.879 176.519 -0.137 0.000 1.121 452 W CA -0.693 56.551 57.345 -0.168 0.000 1.208 452 W CB 1.873 31.187 29.460 -0.243 0.000 1.253 452 W HN 0.271 nan 8.180 nan 0.000 0.533 453 V N 5.051 125.006 119.914 0.069 0.000 2.357 453 V HA 0.135 4.268 4.120 0.022 0.000 0.284 453 V C 0.333 176.300 176.094 -0.211 0.000 1.018 453 V CA -0.841 61.416 62.300 -0.071 0.000 0.841 453 V CB 1.009 32.811 31.823 -0.034 0.000 0.991 453 V HN 0.672 nan 8.190 nan 0.000 0.437 454 N N 2.100 120.424 118.700 -0.627 0.000 2.741 454 N HA -0.176 4.577 4.740 0.022 0.000 0.250 454 N C -0.279 175.027 175.510 -0.341 0.000 1.115 454 N CA 1.285 53.871 53.050 -0.772 0.000 0.724 454 N CB -1.024 37.378 38.487 -0.142 0.000 1.090 454 N HN 1.054 nan 8.380 nan 0.000 0.558 455 C N -4.014 115.053 119.300 -0.388 0.000 3.275 455 C HA 0.762 5.235 4.460 0.022 0.000 0.340 455 C C -1.083 173.912 174.990 0.009 0.000 1.366 455 C CA -1.345 57.682 59.018 0.015 0.000 1.227 455 C CB 1.660 29.414 27.740 0.023 0.000 1.512 455 C HN 0.232 nan 8.230 nan 0.000 0.461 456 Y N 0.058 120.150 120.300 -0.346 0.000 2.562 456 Y HA 0.492 5.063 4.550 0.035 0.000 0.345 456 Y C 0.004 175.223 175.900 -1.134 0.000 1.045 456 Y CA 0.467 58.117 58.100 -0.750 0.000 1.028 456 Y CB 1.433 39.776 38.460 -0.195 0.000 1.297 456 Y HN 1.017 nan 8.280 nan 0.000 0.463 457 D N 1.700 120.848 120.400 -2.087 0.000 2.751 457 D HA -0.142 4.511 4.640 0.022 0.000 0.233 457 D C -0.971 174.700 176.300 -1.049 0.000 1.149 457 D CA 0.834 54.028 54.000 -1.343 0.000 0.682 457 D CB -1.042 39.641 40.800 -0.194 0.000 1.068 457 D HN 0.138 nan 8.370 nan 0.000 0.429 458 V N 1.479 120.730 119.914 -1.105 0.000 2.339 458 V HA 0.269 4.402 4.120 0.022 0.000 0.261 458 V C 0.533 176.608 176.094 -0.031 0.000 1.058 458 V CA -0.278 61.829 62.300 -0.321 0.000 0.897 458 V CB -0.102 31.638 31.823 -0.139 0.000 1.052 458 V HN 0.001 nan 8.190 nan 0.000 0.480 459 F N 2.431 122.475 119.950 0.156 0.000 2.422 459 F HA 0.766 5.305 4.527 0.020 0.000 0.333 459 F C 0.872 176.695 175.800 0.039 0.000 1.095 459 F CA -0.498 57.579 58.000 0.127 0.000 1.038 459 F CB 1.940 40.992 39.000 0.088 0.000 1.156 459 F HN 0.478 nan 8.300 nan 0.000 0.483 460 G N 0.514 109.412 108.800 0.163 0.000 2.707 460 G HA2 0.495 4.468 3.960 0.022 0.000 0.299 460 G HA3 0.495 4.468 3.960 0.022 0.000 0.299 460 G C 0.199 175.008 174.900 -0.151 0.000 1.442 460 G CA -0.438 44.669 45.100 0.010 0.000 1.009 460 G HN 0.905 nan 8.290 nan 0.000 0.515 461 A N 1.876 124.541 122.820 -0.258 0.000 2.139 461 A HA -0.099 4.234 4.320 0.022 0.000 0.221 461 A C 2.080 179.027 177.584 -1.062 0.000 1.159 461 A CA 1.942 53.660 52.037 -0.533 0.000 0.662 461 A CB -0.046 18.697 19.000 -0.427 0.000 0.796 461 A HN 0.659 nan 8.150 nan 0.000 0.463 462 Q N -0.871 118.473 119.800 -0.761 0.000 2.352 462 Q HA 0.181 4.534 4.340 0.022 0.000 0.212 462 Q C -0.154 175.768 176.000 -0.130 0.000 0.888 462 Q CA 0.369 55.826 55.803 -0.576 0.000 0.934 462 Q CB -0.110 28.492 28.738 -0.227 0.000 1.093 462 Q HN 0.387 nan 8.270 nan 0.000 0.523 463 S N 4.248 119.887 115.700 -0.102 0.000 2.437 463 S HA 0.460 4.943 4.470 0.022 0.000 0.305 463 S C -2.426 172.180 174.600 0.009 0.000 1.109 463 S CA -1.137 57.066 58.200 0.007 0.000 1.099 463 S CB 1.592 64.801 63.200 0.015 0.000 1.004 463 S HN 0.156 nan 8.310 nan 0.000 0.475 464 P HA 0.214 nan 4.420 nan 0.000 0.269 464 P C -0.933 176.393 177.300 0.043 0.000 1.217 464 P CA -0.174 62.926 63.100 0.000 0.000 0.783 464 P CB 0.362 31.946 31.700 -0.193 0.000 0.898 465 F N 0.474 120.355 119.950 -0.115 0.000 2.588 465 F HA 0.632 5.170 4.527 0.020 0.000 0.318 465 F C -0.345 175.452 175.800 -0.005 0.000 1.155 465 F CA 0.243 58.212 58.000 -0.052 0.000 0.967 465 F CB 1.982 40.979 39.000 -0.005 0.000 1.236 465 F HN 0.639 nan 8.300 nan 0.000 0.455 466 G N 2.228 110.757 108.800 -0.453 0.000 2.441 466 G HA2 0.504 4.477 3.960 0.022 0.000 0.294 466 G HA3 0.504 4.477 3.960 0.022 0.000 0.294 466 G C -1.628 173.114 174.900 -0.263 0.000 1.393 466 G CA -0.228 44.733 45.100 -0.231 0.000 0.796 466 G HN 0.980 nan 8.290 nan 0.000 0.494 467 G N -1.524 107.224 108.800 -0.086 0.000 2.454 467 G HA2 0.598 4.572 3.960 0.022 0.000 0.329 467 G HA3 0.598 4.572 3.960 0.022 0.000 0.329 467 G C -1.612 173.348 174.900 0.100 0.000 1.177 467 G CA -0.536 44.566 45.100 0.003 0.000 0.951 467 G HN 0.423 nan 8.290 nan 0.000 0.485 468 Y N 0.839 121.087 120.300 -0.086 0.000 2.376 468 Y HA 0.437 5.001 4.550 0.023 0.000 0.325 468 Y C 1.246 177.130 175.900 -0.027 0.000 1.199 468 Y CA -0.319 57.740 58.100 -0.067 0.000 1.206 468 Y CB 1.677 40.090 38.460 -0.079 0.000 1.229 468 Y HN 0.894 nan 8.280 nan 0.000 0.480 469 K N 0.065 120.506 120.400 0.068 0.000 1.941 469 K HA -0.327 4.006 4.320 0.022 0.000 0.187 469 K C 0.437 177.059 176.600 0.036 0.000 1.490 469 K CA 1.691 58.002 56.287 0.041 0.000 0.446 469 K CB -1.038 31.499 32.500 0.061 0.000 0.688 469 K HN 0.697 nan 8.250 nan 0.000 0.803 470 M N 1.055 120.675 119.600 0.034 0.000 2.581 470 M HA 0.044 4.537 4.480 0.022 0.000 0.224 470 M C 0.859 177.249 176.300 0.151 0.000 1.171 470 M CA 0.407 55.730 55.300 0.039 0.000 0.993 470 M CB 0.274 32.839 32.600 -0.059 0.000 1.685 470 M HN 0.333 nan 8.290 nan 0.000 0.479 471 S N 0.175 115.987 115.700 0.187 0.000 2.548 471 S HA 0.369 4.852 4.470 0.022 0.000 0.215 471 S C 0.738 175.418 174.600 0.132 0.000 0.976 471 S CA 0.414 58.744 58.200 0.216 0.000 0.908 471 S CB 0.276 63.585 63.200 0.180 0.000 0.781 471 S HN 0.735 nan 8.310 nan 0.000 0.519 472 G N 0.622 109.481 108.800 0.098 0.000 2.357 472 G HA2 0.324 4.297 3.960 0.022 0.000 0.289 472 G HA3 0.324 4.297 3.960 0.022 0.000 0.289 472 G C -1.246 173.672 174.900 0.029 0.000 1.302 472 G CA -0.295 44.851 45.100 0.076 0.000 0.936 472 G HN 0.685 nan 8.290 nan 0.000 0.513 473 S N -1.194 114.518 115.700 0.020 0.000 2.533 473 S HA 0.957 5.440 4.470 0.022 0.000 0.271 473 S C 0.315 174.907 174.600 -0.014 0.000 1.143 473 S CA 0.636 58.825 58.200 -0.019 0.000 0.891 473 S CB 1.513 64.701 63.200 -0.020 0.000 1.105 473 S HN 3.048 nan 8.310 nan 0.000 0.468 474 G N 2.201 110.978 108.800 -0.038 0.000 2.781 474 G HA2 0.094 4.067 3.960 0.022 0.000 0.683 474 G HA3 0.094 4.067 3.960 0.022 0.000 0.683 474 G C -1.214 173.680 174.900 -0.010 0.000 1.390 474 G CA -0.890 44.195 45.100 -0.025 0.000 0.850 474 G HN 0.838 nan 8.290 nan 0.000 0.557 475 R N 0.266 120.773 120.500 0.012 0.000 2.854 475 R HA 0.709 5.062 4.340 0.022 0.000 0.271 475 R C -0.023 176.328 176.300 0.086 0.000 0.996 475 R CA -0.739 55.377 56.100 0.027 0.000 0.961 475 R CB 1.694 31.977 30.300 -0.029 0.000 1.182 475 R HN 0.764 nan 8.270 nan 0.000 0.479 476 E N 1.144 121.405 120.200 0.101 0.000 2.299 476 E HA 0.577 4.940 4.350 0.022 0.000 0.265 476 E C -0.444 176.157 176.600 0.002 0.000 0.911 476 E CA -0.851 55.598 56.400 0.082 0.000 0.789 476 E CB 2.005 31.773 29.700 0.114 0.000 1.246 476 E HN 0.336 nan 8.360 nan 0.000 0.427 477 L N -0.061 121.170 121.223 0.013 0.000 0.586 477 L HA -0.259 4.094 4.340 0.022 0.000 0.356 477 L C 0.603 177.565 176.870 0.154 0.000 0.969 477 L CA 0.752 55.598 54.840 0.010 0.000 1.223 477 L CB -1.347 40.519 42.059 -0.322 0.000 0.020 477 L HN 0.998 nan 8.230 nan 0.000 0.091 478 G N 0.159 108.985 108.800 0.044 0.000 2.752 478 G HA2 -0.292 3.681 3.960 0.022 0.000 0.234 478 G HA3 -0.292 3.681 3.960 0.022 0.000 0.234 478 G C 0.389 175.473 174.900 0.306 0.000 1.367 478 G CA 0.951 46.182 45.100 0.220 0.000 0.879 478 G HN 1.197 nan 8.290 nan 0.000 0.563 479 E N -0.988 119.323 120.200 0.186 0.000 2.150 479 E HA -0.086 4.277 4.350 0.022 0.000 0.193 479 E C 2.132 178.527 176.600 -0.343 0.000 0.985 479 E CA 1.643 57.831 56.400 -0.354 0.000 0.814 479 E CB -0.158 29.362 29.700 -0.301 0.000 0.752 479 E HN 0.645 nan 8.360 nan 0.000 0.466 480 Y N 0.073 120.350 120.300 -0.039 0.000 2.207 480 Y HA -0.122 4.442 4.550 0.023 0.000 0.287 480 Y C 2.468 178.345 175.900 -0.038 0.000 1.156 480 Y CA 1.161 59.245 58.100 -0.025 0.000 1.182 480 Y CB -0.720 37.746 38.460 0.010 0.000 0.979 480 Y HN 0.177 nan 8.280 nan 0.000 0.521 481 G N -0.257 108.646 108.800 0.173 0.000 2.586 481 G HA2 -0.150 3.823 3.960 0.022 0.000 0.215 481 G HA3 -0.150 3.823 3.960 0.022 0.000 0.215 481 G C 1.350 176.290 174.900 0.066 0.000 1.128 481 G CA 0.767 45.957 45.100 0.149 0.000 0.774 481 G HN 0.411 nan 8.290 nan 0.000 0.543 482 L N -1.136 120.002 121.223 -0.142 0.000 2.416 482 L HA 0.137 4.490 4.340 0.022 0.000 0.216 482 L C 2.778 179.502 176.870 -0.243 0.000 1.098 482 L CA 0.113 54.761 54.840 -0.321 0.000 0.840 482 L CB -0.243 41.229 42.059 -0.979 0.000 0.981 482 L HN 0.174 nan 8.230 nan 0.000 0.462 483 Q N 0.747 120.457 119.800 -0.149 0.000 2.077 483 Q HA -0.220 4.133 4.340 0.022 0.000 0.206 483 Q C 2.362 178.324 176.000 -0.063 0.000 0.989 483 Q CA 2.044 57.830 55.803 -0.028 0.000 0.853 483 Q CB -0.201 28.547 28.738 0.017 0.000 0.907 483 Q HN 0.567 nan 8.270 nan 0.000 0.418 484 A N -0.669 122.075 122.820 -0.127 0.000 2.119 484 A HA -0.114 4.219 4.320 0.022 0.000 0.217 484 A C 0.818 178.141 177.584 -0.435 0.000 1.153 484 A CA 0.803 52.668 52.037 -0.286 0.000 0.692 484 A CB -0.262 18.506 19.000 -0.387 0.000 0.799 484 A HN 0.433 nan 8.150 nan 0.000 0.458 485 Y N -0.257 120.002 120.300 -0.069 0.000 2.571 485 Y HA 0.241 4.803 4.550 0.021 0.000 0.275 485 Y C 0.220 176.105 175.900 -0.025 0.000 1.179 485 Y CA 0.030 58.098 58.100 -0.054 0.000 1.242 485 Y CB 0.476 38.890 38.460 -0.076 0.000 1.126 485 Y HN 0.053 nan 8.280 nan 0.000 0.524 486 T N 0.188 114.772 114.554 0.050 0.000 2.886 486 T HA 0.318 4.681 4.350 0.022 0.000 0.292 486 T C -1.138 173.555 174.700 -0.012 0.000 1.012 486 T CA -0.701 61.431 62.100 0.052 0.000 0.982 486 T CB 1.972 70.884 68.868 0.073 0.000 1.018 486 T HN -0.044 nan 8.240 nan 0.000 0.451 487 E N 2.278 122.487 120.200 0.014 0.000 2.145 487 E HA 0.528 4.891 4.350 0.022 0.000 0.270 487 E C -0.999 175.596 176.600 -0.009 0.000 0.906 487 E CA -0.572 55.827 56.400 -0.001 0.000 0.761 487 E CB 0.961 30.682 29.700 0.035 0.000 1.116 487 E HN 0.333 nan 8.360 nan 0.000 0.408 488 V N 5.326 125.213 119.914 -0.044 0.000 2.432 488 V HA 0.310 4.443 4.120 0.022 0.000 0.275 488 V C 0.122 176.216 176.094 0.001 0.000 1.043 488 V CA -0.461 61.823 62.300 -0.027 0.000 0.925 488 V CB 1.115 32.904 31.823 -0.057 0.000 0.985 488 V HN 0.571 nan 8.190 nan 0.000 0.466 489 K N 3.134 123.547 120.400 0.023 0.000 2.358 489 K HA 0.474 4.807 4.320 0.022 0.000 0.260 489 K C -0.641 175.916 176.600 -0.071 0.000 0.956 489 K CA -0.378 55.899 56.287 -0.017 0.000 0.834 489 K CB 1.461 33.961 32.500 0.000 0.000 1.102 489 K HN 0.706 nan 8.250 nan 0.000 0.431 490 T N 3.283 117.766 114.554 -0.118 0.000 2.743 490 T HA 0.241 4.604 4.350 0.022 0.000 0.293 490 T C -0.531 173.979 174.700 -0.316 0.000 0.945 490 T CA -0.493 61.484 62.100 -0.204 0.000 1.030 490 T CB 0.963 69.738 68.868 -0.156 0.000 0.912 490 T HN 0.279 nan 8.240 nan 0.000 0.483 491 V N 4.448 124.009 119.914 -0.589 0.000 2.357 491 V HA 0.394 4.528 4.120 0.022 0.000 0.284 491 V C 0.293 175.983 176.094 -0.673 0.000 1.018 491 V CA -0.721 61.176 62.300 -0.671 0.000 0.841 491 V CB 1.517 32.783 31.823 -0.928 0.000 0.991 491 V HN 0.915 nan 8.190 nan 0.000 0.437 492 T N 4.879 119.209 114.554 -0.373 0.000 2.821 492 T HA 0.490 4.853 4.350 0.022 0.000 0.307 492 T C -0.183 174.442 174.700 -0.125 0.000 1.034 492 T CA -0.266 61.678 62.100 -0.260 0.000 0.953 492 T CB 1.187 69.895 68.868 -0.266 0.000 0.968 492 T HN 0.331 nan 8.240 nan 0.000 0.462 493 V N 3.841 123.761 119.914 0.010 0.000 2.532 493 V HA 0.437 4.570 4.120 0.022 0.000 0.295 493 V C 0.484 176.781 176.094 0.338 0.000 1.041 493 V CA -1.030 61.370 62.300 0.167 0.000 0.926 493 V CB 1.740 33.718 31.823 0.259 0.000 0.992 493 V HN 0.678 nan 8.190 nan 0.000 0.457 494 K N 3.656 124.246 120.400 0.318 0.000 2.297 494 K HA 0.550 4.883 4.320 0.022 0.000 0.286 494 K C -0.693 176.014 176.600 0.179 0.000 1.053 494 K CA -0.317 56.181 56.287 0.353 0.000 0.940 494 K CB 1.255 33.927 32.500 0.287 0.000 1.019 494 K HN 0.646 nan 8.250 nan 0.000 0.475 495 V N 2.050 122.016 119.914 0.086 0.000 2.815 495 V HA 0.420 4.553 4.120 0.022 0.000 0.314 495 V C -2.156 173.921 176.094 -0.029 0.000 1.064 495 V CA -2.003 60.321 62.300 0.040 0.000 0.952 495 V CB 1.334 33.186 31.823 0.049 0.000 1.020 495 V HN 0.668 nan 8.190 nan 0.000 0.439 496 P HA -0.072 nan 4.420 nan 0.000 0.215 496 P C 0.119 177.385 177.300 -0.057 0.000 1.153 496 P CA 1.314 64.395 63.100 -0.033 0.000 0.853 496 P CB 0.138 31.825 31.700 -0.021 0.000 0.788 497 Q N -1.220 118.544 119.800 -0.060 0.000 2.476 497 Q HA 0.127 4.480 4.340 0.022 0.000 0.236 497 Q C -1.144 174.819 176.000 -0.061 0.000 0.844 497 Q CA -0.607 55.154 55.803 -0.069 0.000 0.972 497 Q CB 1.031 29.739 28.738 -0.051 0.000 1.498 497 Q HN -0.140 nan 8.270 nan 0.000 0.454 498 K N 3.494 123.849 120.400 -0.074 0.000 2.326 498 K HA 0.307 4.640 4.320 0.022 0.000 0.275 498 K C -0.917 175.663 176.600 -0.033 0.000 1.018 498 K CA 0.169 56.429 56.287 -0.045 0.000 0.962 498 K CB 0.652 33.127 32.500 -0.042 0.000 0.953 498 K HN 0.632 nan 8.250 nan 0.000 0.475 499 N N 0.939 119.626 118.700 -0.022 0.000 2.416 499 N HA 0.108 4.861 4.740 0.022 0.000 0.276 499 N C -0.890 174.614 175.510 -0.010 0.000 1.261 499 N CA -0.557 52.482 53.050 -0.019 0.000 0.790 499 N CB 1.963 40.435 38.487 -0.025 0.000 1.554 499 N HN 0.731 nan 8.380 nan 0.000 0.481 500 S N 0.000 115.696 115.700 -0.006 0.000 2.498 500 S HA 0.000 4.483 4.470 0.022 0.000 0.327 500 S CA 0.000 58.200 58.200 -0.000 0.000 1.107 500 S CB 0.000 63.201 63.200 0.001 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517