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 1o05_1_B DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGRE LGEYGLQAYT EVKTVTVKVP QKNS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.590 177.584 0.010 0.000 1.274 7 A CA 0.000 52.061 52.037 0.040 0.000 0.836 7 A CB 0.000 19.026 19.000 0.043 0.000 0.831 8 V N 3.587 123.477 119.914 -0.040 0.000 2.350 8 V HA 0.434 4.554 4.120 -0.001 0.000 0.276 8 V C -1.855 174.139 176.094 -0.168 0.000 1.028 8 V CA -1.318 60.855 62.300 -0.212 0.000 0.860 8 V CB 0.986 32.723 31.823 -0.143 0.000 0.990 8 V HN 0.804 nan 8.190 nan 0.000 0.453 9 P HA 0.216 nan 4.420 nan 0.000 0.267 9 P C -0.084 177.222 177.300 0.010 0.000 1.200 9 P CA -0.017 63.024 63.100 -0.099 0.000 0.772 9 P CB 0.453 32.092 31.700 -0.102 0.000 0.855 10 A N 4.492 127.313 122.820 0.002 0.000 2.511 10 A HA 0.332 4.652 4.320 -0.001 0.000 0.242 10 A C -1.668 175.852 177.584 -0.106 0.000 1.069 10 A CA -0.606 51.412 52.037 -0.032 0.000 0.763 10 A CB -0.974 17.999 19.000 -0.044 0.000 1.001 10 A HN 0.447 nan 8.150 nan 0.000 0.498 11 P HA 0.221 nan 4.420 nan 0.000 0.281 11 P C -1.018 176.061 177.300 -0.369 0.000 1.264 11 P CA -0.782 61.988 63.100 -0.550 0.000 0.824 11 P CB 0.917 31.851 31.700 -1.278 0.000 1.092 12 N N 1.043 119.559 118.700 -0.306 0.000 2.527 12 N HA 0.061 4.800 4.740 -0.001 0.000 0.236 12 N C 0.691 175.891 175.510 -0.517 0.000 0.999 12 N CA -0.062 52.823 53.050 -0.274 0.000 0.935 12 N CB 0.525 38.952 38.487 -0.101 0.000 1.132 12 N HN 0.233 nan 8.380 nan 0.000 0.511 13 Q N 1.278 120.627 119.800 -0.753 0.000 2.541 13 Q HA -0.090 4.250 4.340 -0.001 0.000 0.215 13 Q C -0.220 175.362 176.000 -0.696 0.000 0.977 13 Q CA 0.758 55.770 55.803 -1.318 0.000 0.934 13 Q CB 0.214 28.334 28.738 -1.031 0.000 0.988 13 Q HN 0.449 nan 8.270 nan 0.000 0.521 14 Q N 0.588 120.161 119.800 -0.379 0.000 3.180 14 Q HA 0.176 4.516 4.340 -0.001 0.000 0.317 14 Q C -2.589 173.333 176.000 -0.131 0.000 0.824 14 Q CA -1.913 53.769 55.803 -0.202 0.000 0.926 14 Q CB 0.977 29.618 28.738 -0.161 0.000 1.487 14 Q HN 0.003 nan 8.270 nan 0.000 0.389 15 P HA 0.013 nan 4.420 nan 0.000 0.268 15 P C -0.300 176.967 177.300 -0.055 0.000 1.204 15 P CA -0.037 63.062 63.100 -0.001 0.000 0.768 15 P CB 0.982 32.670 31.700 -0.019 0.000 0.842 16 E N 1.988 122.126 120.200 -0.104 0.000 2.373 16 E HA 0.185 4.535 4.350 -0.001 0.000 0.267 16 E C -0.723 175.498 176.600 -0.633 0.000 1.032 16 E CA -0.618 55.556 56.400 -0.377 0.000 0.889 16 E CB 0.692 30.108 29.700 -0.472 0.000 0.984 16 E HN 0.163 nan 8.360 nan 0.000 0.425 17 V N 6.103 125.695 119.914 -0.536 0.000 2.383 17 V HA 0.113 4.233 4.120 -0.001 0.000 0.275 17 V C 0.101 175.878 176.094 -0.528 0.000 1.036 17 V CA 0.002 62.050 62.300 -0.421 0.000 0.889 17 V CB 0.761 32.457 31.823 -0.211 0.000 0.985 17 V HN 0.711 nan 8.190 nan 0.000 0.459 18 F N 1.680 121.649 119.950 0.032 0.000 2.694 18 F HA 0.252 4.779 4.527 -0.001 0.000 0.292 18 F C 0.931 176.622 175.800 -0.181 0.000 1.121 18 F CA -0.085 57.897 58.000 -0.031 0.000 1.352 18 F CB 0.413 39.445 39.000 0.054 0.000 1.107 18 F HN 0.387 nan 8.300 nan 0.000 0.597 19 C N 1.942 121.206 119.300 -0.059 0.000 2.396 19 C HA 0.435 4.895 4.460 -0.001 0.000 0.321 19 C C 0.211 175.008 174.990 -0.321 0.000 1.233 19 C CA -0.882 57.859 59.018 -0.461 0.000 1.440 19 C CB 0.686 28.078 27.740 -0.581 0.000 2.110 19 C HN 0.537 nan 8.230 nan 0.000 0.473 20 N N 1.090 119.578 118.700 -0.354 0.000 2.361 20 N HA 0.065 4.805 4.740 -0.001 0.000 0.253 20 N C -0.528 174.929 175.510 -0.088 0.000 1.413 20 N CA -0.252 52.693 53.050 -0.176 0.000 0.821 20 N CB 0.069 38.456 38.487 -0.167 0.000 1.380 20 N HN 0.803 nan 8.380 nan 0.000 0.493 21 Q N -0.012 119.783 119.800 -0.008 0.000 2.814 21 Q HA 0.577 4.917 4.340 -0.001 0.000 0.283 21 Q C -0.460 175.857 176.000 0.527 0.000 1.071 21 Q CA -0.981 54.969 55.803 0.246 0.000 0.849 21 Q CB 2.058 30.971 28.738 0.291 0.000 1.437 21 Q HN 0.128 nan 8.270 nan 0.000 0.492 22 I N 1.317 122.154 120.570 0.446 0.000 2.441 22 I HA 0.119 4.289 4.170 -0.001 0.000 0.287 22 I C -0.678 175.659 176.117 0.366 0.000 1.049 22 I CA -0.017 61.510 61.300 0.378 0.000 1.381 22 I CB 0.335 38.485 38.000 0.250 0.000 1.409 22 I HN 0.367 nan 8.210 nan 0.000 0.523 23 F N 8.284 128.233 119.950 -0.001 0.000 2.385 23 F HA 0.633 5.159 4.527 -0.001 0.000 0.360 23 F C -0.457 175.224 175.800 -0.200 0.000 1.122 23 F CA -0.391 57.353 58.000 -0.425 0.000 1.090 23 F CB 0.397 39.013 39.000 -0.640 0.000 1.150 23 F HN 0.180 nan 8.300 nan 0.000 0.472 24 I N 5.531 125.771 120.570 -0.549 0.000 2.644 24 I HA 0.181 4.350 4.170 -0.001 0.000 0.291 24 I C -0.395 175.454 176.117 -0.447 0.000 1.180 24 I CA -1.040 60.056 61.300 -0.340 0.000 1.040 24 I CB 1.937 39.894 38.000 -0.072 0.000 1.255 24 I HN 0.490 nan 8.210 nan 0.000 0.422 25 N N 4.443 122.908 118.700 -0.393 0.000 2.721 25 N HA -0.249 4.491 4.740 -0.001 0.000 0.249 25 N C 0.006 175.252 175.510 -0.440 0.000 1.072 25 N CA 1.411 54.279 53.050 -0.304 0.000 0.710 25 N CB -1.038 37.362 38.487 -0.145 0.000 0.993 25 N HN 0.935 nan 8.380 nan 0.000 0.547 26 N N -1.757 116.440 118.700 -0.839 0.000 2.741 26 N HA -0.212 4.527 4.740 -0.001 0.000 0.250 26 N C -1.051 174.006 175.510 -0.755 0.000 1.115 26 N CA 1.044 53.596 53.050 -0.830 0.000 0.724 26 N CB -0.191 38.150 38.487 -0.242 0.000 1.090 26 N HN 0.436 nan 8.380 nan 0.000 0.558 27 E N -0.604 119.020 120.200 -0.961 0.000 2.369 27 E HA 0.346 4.696 4.350 -0.001 0.000 0.270 27 E C -0.779 175.260 176.600 -0.934 0.000 0.909 27 E CA -0.446 55.519 56.400 -0.725 0.000 0.775 27 E CB 0.831 30.214 29.700 -0.528 0.000 1.270 27 E HN 0.144 nan 8.360 nan 0.000 0.445 28 W N 1.540 122.607 121.300 -0.388 0.000 2.391 28 W HA 0.314 4.973 4.660 -0.000 0.000 0.311 28 W C 0.434 176.725 176.519 -0.380 0.000 1.087 28 W CA -0.362 56.844 57.345 -0.231 0.000 1.209 28 W CB 0.883 30.324 29.460 -0.032 0.000 1.273 28 W HN 0.219 nan 8.180 nan 0.000 0.482 29 H N 1.834 121.050 119.070 0.244 0.000 2.690 29 H HA 0.259 4.815 4.556 -0.001 0.000 0.368 29 H C -0.463 174.952 175.328 0.145 0.000 1.150 29 H CA -0.832 55.299 56.048 0.138 0.000 1.174 29 H CB 1.771 31.566 29.762 0.055 0.000 1.684 29 H HN 0.282 nan 8.280 nan 0.000 0.538 30 D N 0.522 121.058 120.400 0.225 0.000 2.383 30 D HA 0.312 4.951 4.640 -0.001 0.000 0.248 30 D C 0.446 176.822 176.300 0.127 0.000 1.170 30 D CA -0.423 53.663 54.000 0.143 0.000 0.977 30 D CB 1.298 42.156 40.800 0.097 0.000 1.120 30 D HN 0.599 nan 8.370 nan 0.000 0.481 31 A N 0.466 123.341 122.820 0.091 0.000 2.425 31 A HA 0.137 4.457 4.320 -0.001 0.000 0.242 31 A C 1.512 179.127 177.584 0.052 0.000 1.077 31 A CA -0.477 51.602 52.037 0.069 0.000 0.781 31 A CB 0.358 19.393 19.000 0.057 0.000 1.020 31 A HN 0.397 nan 8.150 nan 0.000 0.494 32 V N 2.027 121.962 119.914 0.035 0.000 2.469 32 V HA -0.245 3.875 4.120 -0.001 0.000 0.251 32 V C 2.667 178.779 176.094 0.029 0.000 1.064 32 V CA 2.749 65.063 62.300 0.024 0.000 1.066 32 V CB -0.877 30.953 31.823 0.012 0.000 0.667 32 V HN 1.103 nan 8.190 nan 0.000 0.461 33 S N -0.752 114.968 115.700 0.033 0.000 2.489 33 S HA -0.069 4.401 4.470 -0.001 0.000 0.228 33 S C 1.230 175.853 174.600 0.038 0.000 0.995 33 S CA 0.465 58.686 58.200 0.035 0.000 0.934 33 S CB -0.179 63.044 63.200 0.039 0.000 0.771 33 S HN 0.616 nan 8.310 nan 0.000 0.522 34 R N -0.193 120.332 120.500 0.042 0.000 3.954 34 R HA -0.120 4.220 4.340 -0.001 0.000 0.422 34 R C -0.663 175.661 176.300 0.041 0.000 1.091 34 R CA 1.108 57.233 56.100 0.042 0.000 1.168 34 R CB -2.174 28.148 30.300 0.037 0.000 1.752 34 R HN 0.495 nan 8.270 nan 0.000 0.547 35 K N 1.446 121.874 120.400 0.048 0.000 2.202 35 K HA 0.264 4.584 4.320 -0.001 0.000 0.264 35 K C 0.661 177.294 176.600 0.056 0.000 1.010 35 K CA 0.653 56.975 56.287 0.058 0.000 0.940 35 K CB 0.795 33.339 32.500 0.074 0.000 0.983 35 K HN 0.201 nan 8.250 nan 0.000 0.475 36 T N -0.954 113.637 114.554 0.062 0.000 2.903 36 T HA 0.638 4.988 4.350 -0.001 0.000 0.299 36 T C -0.853 173.911 174.700 0.106 0.000 1.093 36 T CA -1.055 61.054 62.100 0.015 0.000 1.002 36 T CB 0.666 69.501 68.868 -0.056 0.000 1.127 36 T HN 0.450 nan 8.240 nan 0.000 0.488 37 F N -0.206 119.760 119.950 0.026 0.000 2.546 37 F HA 0.890 5.417 4.527 -0.000 0.000 0.320 37 F C -3.060 172.787 175.800 0.078 0.000 1.076 37 F CA -3.093 54.967 58.000 0.100 0.000 0.928 37 F CB 1.504 40.617 39.000 0.189 0.000 1.189 37 F HN 0.382 nan 8.300 nan 0.000 0.465 38 P HA 0.193 nan 4.420 nan 0.000 0.286 38 P C -0.996 176.417 177.300 0.189 0.000 1.261 38 P CA -0.226 62.925 63.100 0.086 0.000 0.821 38 P CB 1.957 33.711 31.700 0.090 0.000 1.013 39 T N 1.899 116.494 114.554 0.068 0.000 2.786 39 T HA 0.387 4.737 4.350 -0.001 0.000 0.283 39 T C -0.490 174.241 174.700 0.052 0.000 0.992 39 T CA -0.484 61.684 62.100 0.114 0.000 0.954 39 T CB 0.263 69.186 68.868 0.093 0.000 0.934 39 T HN 0.056 nan 8.240 nan 0.000 0.440 40 V N 5.650 125.597 119.914 0.055 0.000 2.617 40 V HA 0.412 4.532 4.120 -0.001 0.000 0.298 40 V C 0.647 176.752 176.094 0.017 0.000 1.048 40 V CA -1.023 61.298 62.300 0.034 0.000 0.964 40 V CB 1.632 33.489 31.823 0.057 0.000 1.004 40 V HN 0.929 nan 8.190 nan 0.000 0.466 41 N N 5.112 123.815 118.700 0.004 0.000 2.415 41 N HA 0.211 4.951 4.740 -0.001 0.000 0.246 41 N C -1.484 174.010 175.510 -0.026 0.000 1.078 41 N CA -1.457 51.589 53.050 -0.008 0.000 0.942 41 N CB 1.296 39.783 38.487 -0.001 0.000 1.140 41 N HN 0.422 nan 8.380 nan 0.000 0.501 42 P HA -0.092 nan 4.420 nan 0.000 0.225 42 P C 0.494 177.653 177.300 -0.235 0.000 1.148 42 P CA 0.967 64.060 63.100 -0.011 0.000 0.779 42 P CB 0.359 32.048 31.700 -0.017 0.000 0.780 43 S N -0.649 114.950 115.700 -0.168 0.000 2.470 43 S HA -0.027 4.442 4.470 -0.001 0.000 0.225 43 S C 1.799 176.401 174.600 0.004 0.000 1.006 43 S CA 1.693 59.844 58.200 -0.081 0.000 0.934 43 S CB -0.534 62.717 63.200 0.085 0.000 0.778 43 S HN 0.452 nan 8.310 nan 0.000 0.517 44 T N -3.310 111.197 114.554 -0.080 0.000 2.954 44 T HA 0.465 4.814 4.350 -0.001 0.000 0.252 44 T C 1.496 176.096 174.700 -0.166 0.000 0.983 44 T CA 0.753 62.803 62.100 -0.084 0.000 0.941 44 T CB 0.362 69.207 68.868 -0.038 0.000 1.141 44 T HN 0.471 nan 8.240 nan 0.000 0.500 45 G N 1.597 110.272 108.800 -0.208 0.000 2.179 45 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.260 45 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.260 45 G C -0.200 174.657 174.900 -0.072 0.000 0.977 45 G CA 0.106 45.086 45.100 -0.199 0.000 0.641 45 G HN 0.598 nan 8.290 nan 0.000 0.533 46 E N 0.127 120.294 120.200 -0.056 0.000 2.277 46 E HA 0.486 4.836 4.350 -0.001 0.000 0.274 46 E C 0.694 177.285 176.600 -0.015 0.000 1.022 46 E CA -0.690 55.691 56.400 -0.031 0.000 0.853 46 E CB 1.926 31.606 29.700 -0.034 0.000 1.086 46 E HN 0.143 nan 8.360 nan 0.000 0.397 47 V N 4.354 124.262 119.914 -0.009 0.000 2.585 47 V HA -0.031 4.089 4.120 -0.001 0.000 0.296 47 V C 1.773 177.855 176.094 -0.020 0.000 1.035 47 V CA 0.408 62.704 62.300 -0.005 0.000 1.084 47 V CB 0.116 31.938 31.823 -0.003 0.000 0.953 47 V HN 0.632 nan 8.190 nan 0.000 0.483 48 I N 3.777 124.334 120.570 -0.023 0.000 2.296 48 I HA 0.037 4.206 4.170 -0.001 0.000 0.242 48 I C 0.998 177.080 176.117 -0.058 0.000 1.087 48 I CA 1.334 62.611 61.300 -0.039 0.000 1.393 48 I CB 0.179 38.158 38.000 -0.035 0.000 1.093 48 I HN 0.892 nan 8.210 nan 0.000 0.421 49 C N -1.881 117.380 119.300 -0.065 0.000 3.211 49 C HA 0.522 4.981 4.460 -0.001 0.000 0.350 49 C C -0.902 174.019 174.990 -0.115 0.000 1.413 49 C CA -1.102 57.863 59.018 -0.088 0.000 1.203 49 C CB 1.161 28.837 27.740 -0.106 0.000 1.506 49 C HN 0.223 nan 8.230 nan 0.000 0.448 50 Q N 0.338 120.057 119.800 -0.134 0.000 2.230 50 Q HA 0.819 5.159 4.340 -0.001 0.000 0.248 50 Q C -0.785 175.043 176.000 -0.286 0.000 0.915 50 Q CA -0.270 55.422 55.803 -0.186 0.000 0.900 50 Q CB 1.645 30.312 28.738 -0.118 0.000 1.229 50 Q HN 0.803 nan 8.270 nan 0.000 0.439 51 V N 1.879 121.478 119.914 -0.524 0.000 2.709 51 V HA 0.699 4.819 4.120 -0.001 0.000 0.308 51 V C -0.690 175.091 176.094 -0.522 0.000 1.062 51 V CA -1.234 60.708 62.300 -0.597 0.000 0.901 51 V CB 1.826 33.106 31.823 -0.906 0.000 1.003 51 V HN 0.946 nan 8.190 nan 0.000 0.425 52 A N 2.741 125.447 122.820 -0.190 0.000 2.566 52 A HA 0.163 4.483 4.320 -0.001 0.000 0.245 52 A C 0.411 178.043 177.584 0.079 0.000 1.056 52 A CA 0.324 52.347 52.037 -0.023 0.000 0.757 52 A CB -0.152 18.891 19.000 0.072 0.000 0.979 52 A HN 0.905 nan 8.150 nan 0.000 0.508 53 E N 3.122 123.390 120.200 0.114 0.000 1.936 53 E HA 0.359 4.709 4.350 -0.001 0.000 0.267 53 E C 0.675 177.285 176.600 0.018 0.000 1.076 53 E CA -0.278 56.198 56.400 0.127 0.000 0.870 53 E CB 0.173 29.917 29.700 0.073 0.000 1.093 53 E HN 0.805 nan 8.360 nan 0.000 0.411 54 G N 3.365 112.183 108.800 0.030 0.000 2.491 54 G HA2 0.053 4.013 3.960 -0.001 0.000 0.242 54 G HA3 0.053 4.013 3.960 -0.001 0.000 0.242 54 G C -0.308 174.583 174.900 -0.014 0.000 1.266 54 G CA -0.227 44.888 45.100 0.024 0.000 0.844 54 G HN 0.563 nan 8.290 nan 0.000 0.571 55 D N -0.427 119.981 120.400 0.013 0.000 2.837 55 D HA 0.248 4.888 4.640 -0.001 0.000 0.294 55 D C 1.265 177.586 176.300 0.035 0.000 1.158 55 D CA -0.816 53.196 54.000 0.020 0.000 1.073 55 D CB 1.446 42.260 40.800 0.024 0.000 1.419 55 D HN 0.129 nan 8.370 nan 0.000 0.584 56 K N 0.547 120.970 120.400 0.039 0.000 2.034 56 K HA -0.176 4.143 4.320 -0.001 0.000 0.214 56 K C 1.584 178.215 176.600 0.051 0.000 1.051 56 K CA 1.682 57.998 56.287 0.048 0.000 0.931 56 K CB -0.249 32.270 32.500 0.033 0.000 0.715 56 K HN 0.427 nan 8.250 nan 0.000 0.446 57 E N 0.174 120.395 120.200 0.035 0.000 2.153 57 E HA -0.164 4.186 4.350 -0.001 0.000 0.194 57 E C 1.641 178.253 176.600 0.020 0.000 0.988 57 E CA 1.100 57.517 56.400 0.027 0.000 0.811 57 E CB -0.020 29.689 29.700 0.016 0.000 0.746 57 E HN 0.420 nan 8.360 nan 0.000 0.466 58 D N 0.394 120.807 120.400 0.021 0.000 2.149 58 D HA -0.090 4.550 4.640 -0.001 0.000 0.201 58 D C 2.121 178.430 176.300 0.014 0.000 0.972 58 D CA 0.693 54.700 54.000 0.011 0.000 0.835 58 D CB 0.097 40.914 40.800 0.028 0.000 0.966 58 D HN 0.049 nan 8.370 nan 0.000 0.476 59 V N 1.989 121.925 119.914 0.037 0.000 2.427 59 V HA -0.200 3.920 4.120 -0.001 0.000 0.248 59 V C 1.912 178.022 176.094 0.028 0.000 1.051 59 V CA 1.613 63.936 62.300 0.038 0.000 1.048 59 V CB -0.381 31.489 31.823 0.079 0.000 0.666 59 V HN 0.011 nan 8.190 nan 0.000 0.456 60 D N 0.108 120.563 120.400 0.090 0.000 2.117 60 D HA -0.154 4.485 4.640 -0.001 0.000 0.197 60 D C 2.256 178.576 176.300 0.034 0.000 0.987 60 D CA 1.231 55.316 54.000 0.141 0.000 0.829 60 D CB -0.174 40.707 40.800 0.135 0.000 0.961 60 D HN 0.419 nan 8.370 nan 0.000 0.460 61 K N 0.475 120.870 120.400 -0.009 0.000 2.025 61 K HA -0.020 4.300 4.320 -0.001 0.000 0.207 61 K C 2.141 178.699 176.600 -0.070 0.000 1.049 61 K CA 1.132 57.386 56.287 -0.055 0.000 0.933 61 K CB -0.081 32.358 32.500 -0.103 0.000 0.714 61 K HN 0.021 nan 8.250 nan 0.000 0.438 62 A N 0.960 123.740 122.820 -0.066 0.000 1.902 62 A HA -0.120 4.200 4.320 -0.001 0.000 0.217 62 A C 2.355 179.884 177.584 -0.091 0.000 1.181 62 A CA 1.384 53.378 52.037 -0.071 0.000 0.623 62 A CB -0.632 18.341 19.000 -0.044 0.000 0.818 62 A HN 0.071 nan 8.150 nan 0.000 0.443 63 V N 0.111 119.943 119.914 -0.137 0.000 2.295 63 V HA -0.273 3.846 4.120 -0.001 0.000 0.246 63 V C 2.445 178.475 176.094 -0.105 0.000 1.049 63 V CA 2.358 64.536 62.300 -0.204 0.000 1.024 63 V CB -0.675 30.835 31.823 -0.521 0.000 0.648 63 V HN 0.541 nan 8.190 nan 0.000 0.447 64 K N 0.163 120.527 120.400 -0.060 0.000 2.097 64 K HA -0.135 4.185 4.320 -0.001 0.000 0.206 64 K C 2.303 178.895 176.600 -0.014 0.000 1.049 64 K CA 1.459 57.737 56.287 -0.015 0.000 0.933 64 K CB -0.409 32.090 32.500 -0.002 0.000 0.717 64 K HN 0.482 nan 8.250 nan 0.000 0.442 65 A N 1.421 124.218 122.820 -0.038 0.000 1.902 65 A HA -0.117 4.203 4.320 -0.001 0.000 0.217 65 A C 2.352 179.925 177.584 -0.018 0.000 1.181 65 A CA 1.858 53.872 52.037 -0.039 0.000 0.623 65 A CB -0.644 18.313 19.000 -0.072 0.000 0.818 65 A HN 0.337 nan 8.150 nan 0.000 0.443 66 A N -0.322 122.482 122.820 -0.026 0.000 1.898 66 A HA -0.097 4.223 4.320 -0.001 0.000 0.216 66 A C 2.169 179.795 177.584 0.070 0.000 1.181 66 A CA 1.998 54.034 52.037 -0.001 0.000 0.620 66 A CB -0.418 18.558 19.000 -0.040 0.000 0.819 66 A HN 0.448 nan 8.150 nan 0.000 0.442 67 R N 0.435 120.967 120.500 0.054 0.000 2.081 67 R HA -0.031 4.309 4.340 -0.001 0.000 0.235 67 R C 2.080 178.472 176.300 0.154 0.000 1.131 67 R CA 1.998 58.167 56.100 0.115 0.000 0.960 67 R CB -0.938 29.405 30.300 0.072 0.000 0.856 67 R HN 0.378 nan 8.270 nan 0.000 0.436 68 A N 0.164 123.041 122.820 0.095 0.000 1.902 68 A HA -0.000 4.319 4.320 -0.001 0.000 0.217 68 A C 2.327 179.977 177.584 0.111 0.000 1.181 68 A CA 1.702 53.789 52.037 0.083 0.000 0.623 68 A CB -0.989 18.037 19.000 0.044 0.000 0.818 68 A HN 0.476 nan 8.150 nan 0.000 0.443 69 A N -2.169 120.726 122.820 0.126 0.000 2.119 69 A HA 0.088 4.407 4.320 -0.001 0.000 0.217 69 A C 1.744 179.506 177.584 0.296 0.000 1.153 69 A CA 1.212 53.346 52.037 0.163 0.000 0.692 69 A CB -0.527 18.528 19.000 0.090 0.000 0.799 69 A HN 0.590 nan 8.150 nan 0.000 0.458 70 F N 0.315 120.349 119.950 0.141 0.000 2.765 70 F HA 0.195 4.722 4.527 -0.001 0.000 0.302 70 F C 0.663 176.536 175.800 0.123 0.000 1.111 70 F CA -0.206 57.899 58.000 0.176 0.000 1.359 70 F CB 0.136 39.224 39.000 0.147 0.000 1.097 70 F HN 0.088 nan 8.300 nan 0.000 0.577 71 Q N 1.741 121.582 119.800 0.069 0.000 2.330 71 Q HA 0.014 4.353 4.340 -0.001 0.000 0.279 71 Q C -0.165 175.776 176.000 -0.097 0.000 1.024 71 Q CA -0.063 55.734 55.803 -0.010 0.000 0.900 71 Q CB 0.653 29.413 28.738 0.037 0.000 1.221 71 Q HN 0.256 nan 8.270 nan 0.000 0.396 72 L N 1.827 122.977 121.223 -0.121 0.000 2.578 72 L HA 0.086 4.425 4.340 -0.001 0.000 0.279 72 L C 1.266 178.099 176.870 -0.062 0.000 1.227 72 L CA 2.210 56.979 54.840 -0.118 0.000 0.900 72 L CB 0.028 42.039 42.059 -0.081 0.000 1.144 72 L HN 0.929 nan 8.230 nan 0.000 0.496 73 G N 1.935 110.699 108.800 -0.060 0.000 2.175 73 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.244 73 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.244 73 G C 0.332 175.227 174.900 -0.008 0.000 0.982 73 G CA 0.339 45.421 45.100 -0.029 0.000 0.641 73 G HN 1.113 nan 8.290 nan 0.000 0.527 74 S N 0.357 116.057 115.700 -0.000 0.000 2.600 74 S HA 0.590 5.060 4.470 -0.001 0.000 0.265 74 S C -0.661 173.981 174.600 0.071 0.000 1.325 74 S CA -0.338 57.890 58.200 0.048 0.000 1.002 74 S CB 1.955 65.206 63.200 0.084 0.000 0.921 74 S HN -0.009 nan 8.310 nan 0.000 0.554 75 P HA -0.104 nan 4.420 nan 0.000 0.216 75 P C 1.213 178.636 177.300 0.205 0.000 1.153 75 P CA 1.181 64.356 63.100 0.124 0.000 0.858 75 P CB -0.084 31.696 31.700 0.133 0.000 0.789 76 W N 0.013 121.340 121.300 0.045 0.000 2.436 76 W HA -0.110 4.550 4.660 -0.001 0.000 0.284 76 W C 1.642 178.191 176.519 0.051 0.000 1.225 76 W CA 0.585 57.976 57.345 0.078 0.000 1.271 76 W CB -0.045 29.491 29.460 0.125 0.000 1.114 76 W HN -0.152 nan 8.180 nan 0.000 0.559 77 R N 0.390 120.887 120.500 -0.005 0.000 2.093 77 R HA -0.027 4.312 4.340 -0.001 0.000 0.224 77 R C 2.103 178.313 176.300 -0.150 0.000 1.101 77 R CA 0.979 56.976 56.100 -0.171 0.000 0.979 77 R CB -0.722 29.467 30.300 -0.185 0.000 0.877 77 R HN 0.290 nan 8.270 nan 0.000 0.441 78 R N -0.016 120.436 120.500 -0.080 0.000 2.193 78 R HA 0.124 4.463 4.340 -0.001 0.000 0.213 78 R C 1.198 177.453 176.300 -0.076 0.000 1.055 78 R CA -0.088 55.972 56.100 -0.067 0.000 0.995 78 R CB -0.116 30.162 30.300 -0.036 0.000 0.893 78 R HN 0.128 nan 8.270 nan 0.000 0.459 79 M N 2.406 121.956 119.600 -0.084 0.000 2.248 79 M HA -0.065 4.415 4.480 -0.001 0.000 0.343 79 M C -0.745 175.499 176.300 -0.093 0.000 1.243 79 M CA 0.457 55.710 55.300 -0.077 0.000 1.025 79 M CB 0.501 33.077 32.600 -0.041 0.000 1.759 79 M HN -0.049 nan 8.290 nan 0.000 0.452 80 D N 4.244 124.617 120.400 -0.044 0.000 2.443 80 D HA 0.071 4.711 4.640 -0.001 0.000 0.239 80 D C 0.874 177.168 176.300 -0.010 0.000 1.136 80 D CA 0.552 54.541 54.000 -0.018 0.000 0.879 80 D CB 1.060 41.867 40.800 0.010 0.000 1.195 80 D HN 0.782 nan 8.370 nan 0.000 0.443 81 A N 2.527 125.335 122.820 -0.020 0.000 1.917 81 A HA -0.238 4.082 4.320 -0.001 0.000 0.219 81 A C 2.140 179.737 177.584 0.021 0.000 1.182 81 A CA 2.295 54.323 52.037 -0.015 0.000 0.633 81 A CB -0.633 18.379 19.000 0.019 0.000 0.819 81 A HN 0.611 nan 8.150 nan 0.000 0.448 82 S N -1.201 114.523 115.700 0.039 0.000 2.399 82 S HA -0.259 4.211 4.470 -0.001 0.000 0.231 82 S C 1.834 176.465 174.600 0.052 0.000 1.022 82 S CA 1.659 59.886 58.200 0.044 0.000 0.983 82 S CB -0.702 62.525 63.200 0.045 0.000 0.803 82 S HN 0.738 nan 8.310 nan 0.000 0.480 83 H N 1.441 120.498 119.070 -0.022 0.000 2.428 83 H HA 0.243 4.799 4.556 -0.001 0.000 0.296 83 H C 2.324 177.641 175.328 -0.018 0.000 1.062 83 H CA 1.349 57.383 56.048 -0.023 0.000 1.350 83 H CB -0.064 29.680 29.762 -0.030 0.000 1.403 83 H HN 0.348 nan 8.280 nan 0.000 0.533 84 R N -0.766 119.734 120.500 -0.001 0.000 2.081 84 R HA -0.082 4.257 4.340 -0.001 0.000 0.235 84 R C 2.506 178.831 176.300 0.042 0.000 1.131 84 R CA 1.106 57.227 56.100 0.034 0.000 0.960 84 R CB -0.481 29.825 30.300 0.011 0.000 0.856 84 R HN 0.425 nan 8.270 nan 0.000 0.436 85 G N 1.047 109.860 108.800 0.023 0.000 2.418 85 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.217 85 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.217 85 G C 1.411 176.298 174.900 -0.021 0.000 1.158 85 G CA 0.237 45.357 45.100 0.034 0.000 0.771 85 G HN 0.144 nan 8.290 nan 0.000 0.545 86 R N 0.133 120.563 120.500 -0.118 0.000 2.081 86 R HA 0.076 4.416 4.340 -0.001 0.000 0.235 86 R C 2.611 178.791 176.300 -0.201 0.000 1.131 86 R CA 0.567 56.562 56.100 -0.174 0.000 0.960 86 R CB -0.965 29.157 30.300 -0.296 0.000 0.856 86 R HN 0.391 nan 8.270 nan 0.000 0.436 87 L N 0.487 121.523 121.223 -0.311 0.000 2.093 87 L HA -0.128 4.212 4.340 -0.001 0.000 0.208 87 L C 2.504 179.356 176.870 -0.031 0.000 1.085 87 L CA 0.943 55.549 54.840 -0.391 0.000 0.755 87 L CB -0.402 41.125 42.059 -0.887 0.000 0.904 87 L HN 0.126 nan 8.230 nan 0.000 0.435 88 L N -0.377 120.933 121.223 0.145 0.000 2.093 88 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 88 L C 2.296 179.272 176.870 0.177 0.000 1.085 88 L CA 0.940 55.951 54.840 0.285 0.000 0.755 88 L CB -0.449 41.767 42.059 0.262 0.000 0.904 88 L HN 0.356 nan 8.230 nan 0.000 0.435 89 N N -0.211 118.547 118.700 0.095 0.000 2.270 89 N HA -0.168 4.571 4.740 -0.001 0.000 0.181 89 N C 1.918 177.469 175.510 0.069 0.000 1.016 89 N CA 0.753 53.846 53.050 0.071 0.000 0.870 89 N CB -0.151 38.356 38.487 0.034 0.000 0.979 89 N HN 0.141 nan 8.380 nan 0.000 0.431 90 R N 1.247 121.779 120.500 0.054 0.000 2.075 90 R HA 0.022 4.361 4.340 -0.001 0.000 0.232 90 R C 1.971 178.333 176.300 0.103 0.000 1.126 90 R CA 0.724 56.856 56.100 0.053 0.000 0.963 90 R CB -0.928 29.375 30.300 0.006 0.000 0.858 90 R HN 0.166 nan 8.270 nan 0.000 0.435 91 L N 0.237 121.561 121.223 0.168 0.000 2.046 91 L HA 0.075 4.415 4.340 -0.001 0.000 0.208 91 L C 2.054 179.002 176.870 0.130 0.000 1.077 91 L CA 2.200 57.150 54.840 0.183 0.000 0.747 91 L CB -1.018 41.194 42.059 0.255 0.000 0.896 91 L HN 0.238 nan 8.230 nan 0.000 0.432 92 A N -0.756 122.139 122.820 0.126 0.000 1.902 92 A HA -0.220 4.100 4.320 -0.001 0.000 0.217 92 A C 2.000 179.639 177.584 0.093 0.000 1.181 92 A CA 1.886 53.987 52.037 0.107 0.000 0.623 92 A CB -0.859 18.204 19.000 0.105 0.000 0.818 92 A HN 0.533 nan 8.150 nan 0.000 0.443 93 D N 0.016 120.467 120.400 0.085 0.000 2.144 93 D HA -0.102 4.538 4.640 -0.001 0.000 0.199 93 D C 1.915 178.267 176.300 0.086 0.000 0.984 93 D CA 0.942 54.987 54.000 0.076 0.000 0.834 93 D CB -0.287 40.551 40.800 0.062 0.000 0.955 93 D HN 0.471 nan 8.370 nan 0.000 0.465 94 L N 0.247 121.526 121.223 0.093 0.000 2.093 94 L HA -0.064 4.276 4.340 -0.001 0.000 0.208 94 L C 2.479 179.430 176.870 0.134 0.000 1.085 94 L CA 0.562 55.464 54.840 0.102 0.000 0.755 94 L CB -0.184 41.929 42.059 0.090 0.000 0.904 94 L HN 0.004 nan 8.230 nan 0.000 0.435 95 I N -0.153 120.496 120.570 0.131 0.000 2.252 95 I HA -0.277 3.893 4.170 -0.001 0.000 0.245 95 I C 2.582 178.781 176.117 0.137 0.000 1.102 95 I CA 1.267 62.659 61.300 0.152 0.000 1.385 95 I CB -0.149 37.925 38.000 0.124 0.000 1.064 95 I HN 0.321 nan 8.210 nan 0.000 0.414 96 E N 1.261 121.524 120.200 0.106 0.000 2.106 96 E HA -0.265 4.084 4.350 -0.001 0.000 0.192 96 E C 2.385 179.055 176.600 0.117 0.000 0.984 96 E CA 0.915 57.369 56.400 0.090 0.000 0.806 96 E CB -0.012 29.731 29.700 0.071 0.000 0.750 96 E HN 0.258 nan 8.360 nan 0.000 0.458 97 R N 0.300 120.873 120.500 0.121 0.000 2.096 97 R HA -0.125 4.215 4.340 -0.001 0.000 0.235 97 R C 0.357 176.752 176.300 0.159 0.000 1.127 97 R CA 1.739 57.914 56.100 0.125 0.000 0.968 97 R CB 0.056 30.420 30.300 0.107 0.000 0.861 97 R HN 0.126 nan 8.270 nan 0.000 0.440 98 D N -0.075 120.446 120.400 0.201 0.000 2.491 98 D HA 0.034 4.674 4.640 -0.001 0.000 0.228 98 D C 1.050 177.517 176.300 0.278 0.000 1.183 98 D CA -0.059 54.099 54.000 0.264 0.000 0.827 98 D CB 0.252 41.276 40.800 0.373 0.000 0.989 98 D HN 0.228 nan 8.370 nan 0.000 0.494 99 R N 0.724 121.361 120.500 0.229 0.000 2.094 99 R HA -0.178 4.162 4.340 -0.001 0.000 0.239 99 R C 2.024 178.513 176.300 0.315 0.000 1.137 99 R CA 2.292 58.517 56.100 0.208 0.000 0.943 99 R CB -0.238 30.145 30.300 0.138 0.000 0.850 99 R HN 0.234 nan 8.270 nan 0.000 0.433 100 T N -1.764 113.037 114.554 0.410 0.000 2.788 100 T HA -0.235 4.115 4.350 -0.001 0.000 0.268 100 T C 1.849 176.780 174.700 0.385 0.000 1.044 100 T CA 1.406 63.783 62.100 0.462 0.000 1.139 100 T CB -0.712 68.365 68.868 0.349 0.000 0.867 100 T HN 0.459 nan 8.240 nan 0.000 0.454 101 Y N 2.001 122.411 120.300 0.184 0.000 2.145 101 Y HA 0.095 4.644 4.550 -0.001 0.000 0.286 101 Y C 2.146 178.093 175.900 0.079 0.000 1.145 101 Y CA 0.963 59.118 58.100 0.093 0.000 1.148 101 Y CB -0.579 37.883 38.460 0.003 0.000 0.981 101 Y HN 0.170 nan 8.280 nan 0.000 0.507 102 L N -0.297 120.897 121.223 -0.048 0.000 2.131 102 L HA -0.187 4.153 4.340 -0.001 0.000 0.210 102 L C 2.718 179.568 176.870 -0.033 0.000 1.092 102 L CA 1.074 55.844 54.840 -0.116 0.000 0.759 102 L CB -0.793 41.317 42.059 0.085 0.000 0.903 102 L HN 0.379 nan 8.230 nan 0.000 0.435 103 A N -0.218 122.668 122.820 0.109 0.000 1.898 103 A HA -0.120 4.199 4.320 -0.001 0.000 0.216 103 A C 2.497 180.241 177.584 0.267 0.000 1.181 103 A CA 1.551 53.684 52.037 0.160 0.000 0.620 103 A CB -0.604 18.521 19.000 0.209 0.000 0.819 103 A HN 0.388 nan 8.150 nan 0.000 0.442 104 A N -0.640 122.400 122.820 0.366 0.000 1.898 104 A HA 0.022 4.342 4.320 -0.001 0.000 0.216 104 A C 2.100 179.789 177.584 0.174 0.000 1.181 104 A CA 1.636 53.915 52.037 0.404 0.000 0.620 104 A CB -0.555 18.594 19.000 0.249 0.000 0.819 104 A HN 0.599 nan 8.150 nan 0.000 0.442 105 L N -0.130 121.028 121.223 -0.109 0.000 2.093 105 L HA -0.087 4.252 4.340 -0.001 0.000 0.208 105 L C 2.200 179.023 176.870 -0.079 0.000 1.085 105 L CA 2.563 57.289 54.840 -0.191 0.000 0.755 105 L CB -0.587 41.182 42.059 -0.484 0.000 0.904 105 L HN 0.503 nan 8.230 nan 0.000 0.435 106 E N -1.068 119.099 120.200 -0.056 0.000 2.051 106 E HA -0.194 4.156 4.350 -0.001 0.000 0.192 106 E C 2.028 178.595 176.600 -0.055 0.000 0.991 106 E CA 2.039 58.417 56.400 -0.036 0.000 0.799 106 E CB -0.309 29.379 29.700 -0.020 0.000 0.748 106 E HN 0.468 nan 8.360 nan 0.000 0.449 107 T N 0.648 115.159 114.554 -0.072 0.000 2.746 107 T HA -0.134 4.216 4.350 -0.001 0.000 0.267 107 T C 1.717 176.311 174.700 -0.176 0.000 1.039 107 T CA 1.149 63.127 62.100 -0.203 0.000 1.142 107 T CB -0.354 68.246 68.868 -0.447 0.000 0.866 107 T HN 0.101 nan 8.240 nan 0.000 0.444 108 L N 1.218 122.426 121.223 -0.025 0.000 2.012 108 L HA -0.101 4.239 4.340 -0.001 0.000 0.210 108 L C 2.078 178.951 176.870 0.005 0.000 1.073 108 L CA 1.877 56.765 54.840 0.080 0.000 0.748 108 L CB -0.394 41.752 42.059 0.146 0.000 0.891 108 L HN 0.102 nan 8.230 nan 0.000 0.431 109 D N -1.711 118.679 120.400 -0.017 0.000 2.213 109 D HA -0.140 4.499 4.640 -0.001 0.000 0.205 109 D C 1.913 178.192 176.300 -0.035 0.000 0.961 109 D CA 0.707 54.697 54.000 -0.017 0.000 0.853 109 D CB 0.023 40.820 40.800 -0.003 0.000 0.967 109 D HN 0.386 nan 8.370 nan 0.000 0.496 110 N N -0.648 118.019 118.700 -0.055 0.000 2.368 110 N HA -0.034 4.706 4.740 -0.001 0.000 0.178 110 N C 1.354 176.791 175.510 -0.122 0.000 1.021 110 N CA 1.694 54.700 53.050 -0.073 0.000 0.875 110 N CB 0.734 39.180 38.487 -0.068 0.000 1.020 110 N HN 0.266 nan 8.380 nan 0.000 0.433 111 G N 1.281 109.995 108.800 -0.144 0.000 2.231 111 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.206 111 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.206 111 G C -0.096 174.694 174.900 -0.183 0.000 0.996 111 G CA 0.325 45.319 45.100 -0.177 0.000 0.645 111 G HN 0.662 nan 8.290 nan 0.000 0.498 112 K N 0.979 121.270 120.400 -0.182 0.000 2.319 112 K HA 0.494 4.813 4.320 -0.001 0.000 0.265 112 K C -2.705 173.803 176.600 -0.153 0.000 1.000 112 K CA -1.380 54.802 56.287 -0.175 0.000 0.943 112 K CB 0.572 32.950 32.500 -0.203 0.000 0.950 112 K HN 0.050 nan 8.250 nan 0.000 0.485 113 P HA -0.122 nan 4.420 nan 0.000 0.262 113 P C -0.299 176.973 177.300 -0.046 0.000 1.182 113 P CA 0.028 63.096 63.100 -0.053 0.000 0.761 113 P CB 0.116 31.823 31.700 0.012 0.000 0.795 114 Y N 4.831 125.020 120.300 -0.184 0.000 2.151 114 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 114 Y C 1.806 177.740 175.900 0.056 0.000 1.166 114 Y CA 1.790 59.827 58.100 -0.105 0.000 1.163 114 Y CB -0.875 37.557 38.460 -0.045 0.000 0.974 114 Y HN 0.087 nan 8.280 nan 0.000 0.511 115 V N 0.397 120.278 119.914 -0.055 0.000 2.332 115 V HA -0.330 3.790 4.120 -0.001 0.000 0.248 115 V C 2.367 178.446 176.094 -0.024 0.000 1.055 115 V CA 1.832 64.088 62.300 -0.073 0.000 1.038 115 V CB -0.668 31.190 31.823 0.059 0.000 0.651 115 V HN 0.431 nan 8.190 nan 0.000 0.450 116 I N -0.058 120.523 120.570 0.018 0.000 2.252 116 I HA -0.136 4.033 4.170 -0.001 0.000 0.245 116 I C 2.574 178.715 176.117 0.040 0.000 1.102 116 I CA 1.435 62.783 61.300 0.079 0.000 1.385 116 I CB -1.498 36.574 38.000 0.119 0.000 1.064 116 I HN 0.271 nan 8.210 nan 0.000 0.414 117 S N 0.193 115.875 115.700 -0.031 0.000 2.370 117 S HA -0.225 4.245 4.470 -0.001 0.000 0.226 117 S C 2.011 176.577 174.600 -0.057 0.000 1.033 117 S CA 1.297 59.476 58.200 -0.035 0.000 1.011 117 S CB -0.499 62.675 63.200 -0.045 0.000 0.852 117 S HN 0.450 nan 8.310 nan 0.000 0.457 118 Y N 1.845 121.988 120.300 -0.261 0.000 2.130 118 Y HA 0.017 4.567 4.550 -0.000 0.000 0.287 118 Y C 1.920 177.765 175.900 -0.093 0.000 1.124 118 Y CA 1.390 59.349 58.100 -0.235 0.000 1.118 118 Y CB -0.335 37.851 38.460 -0.455 0.000 0.994 118 Y HN 0.108 nan 8.280 nan 0.000 0.497 119 L N -1.287 119.948 121.223 0.020 0.000 2.240 119 L HA -0.097 4.243 4.340 -0.001 0.000 0.211 119 L C 1.712 178.580 176.870 -0.002 0.000 1.106 119 L CA 0.488 55.335 54.840 0.012 0.000 0.793 119 L CB -0.289 41.840 42.059 0.117 0.000 0.927 119 L HN 0.171 nan 8.230 nan 0.000 0.446 120 V N -0.976 118.960 119.914 0.036 0.000 2.868 120 V HA -0.050 4.069 4.120 -0.001 0.000 0.227 120 V C 1.661 177.787 176.094 0.052 0.000 1.136 120 V CA 0.891 63.240 62.300 0.081 0.000 1.206 120 V CB -0.402 31.545 31.823 0.206 0.000 0.997 120 V HN 0.172 nan 8.190 nan 0.000 0.505 121 D N 0.898 121.342 120.400 0.073 0.000 2.127 121 D HA -0.230 4.410 4.640 -0.001 0.000 0.190 121 D C 1.978 178.278 176.300 0.001 0.000 1.000 121 D CA 1.759 55.788 54.000 0.049 0.000 0.839 121 D CB -0.336 40.505 40.800 0.068 0.000 0.955 121 D HN 0.213 nan 8.370 nan 0.000 0.446 122 L N 0.075 121.274 121.223 -0.040 0.000 2.141 122 L HA -0.137 4.203 4.340 -0.001 0.000 0.209 122 L C 1.872 178.704 176.870 -0.063 0.000 1.094 122 L CA 1.234 56.038 54.840 -0.060 0.000 0.763 122 L CB -0.256 41.734 42.059 -0.114 0.000 0.908 122 L HN 0.022 nan 8.230 nan 0.000 0.437 123 D N -0.555 119.794 120.400 -0.085 0.000 2.117 123 D HA -0.216 4.424 4.640 -0.001 0.000 0.198 123 D C 2.243 178.549 176.300 0.010 0.000 0.982 123 D CA 1.409 55.378 54.000 -0.053 0.000 0.828 123 D CB 0.070 40.839 40.800 -0.052 0.000 0.967 123 D HN 0.199 nan 8.370 nan 0.000 0.464 124 M N -0.429 119.187 119.600 0.027 0.000 2.229 124 M HA -0.085 4.395 4.480 -0.001 0.000 0.264 124 M C 2.147 178.512 176.300 0.109 0.000 1.063 124 M CA 0.548 55.891 55.300 0.071 0.000 1.114 124 M CB 0.050 32.687 32.600 0.062 0.000 1.387 124 M HN 0.005 nan 8.290 nan 0.000 0.420 125 V N 1.033 120.992 119.914 0.076 0.000 2.295 125 V HA -0.252 3.868 4.120 -0.001 0.000 0.246 125 V C 2.323 178.487 176.094 0.117 0.000 1.049 125 V CA 1.602 63.962 62.300 0.100 0.000 1.024 125 V CB -0.602 31.259 31.823 0.063 0.000 0.648 125 V HN 0.448 nan 8.190 nan 0.000 0.447 126 L N -0.577 120.695 121.223 0.082 0.000 2.017 126 L HA -0.203 4.137 4.340 -0.001 0.000 0.208 126 L C 2.591 179.525 176.870 0.105 0.000 1.073 126 L CA 1.767 56.658 54.840 0.084 0.000 0.745 126 L CB -0.616 41.473 42.059 0.049 0.000 0.894 126 L HN 0.274 nan 8.230 nan 0.000 0.432 127 K N -0.875 119.584 120.400 0.098 0.000 2.097 127 K HA -0.192 4.128 4.320 -0.001 0.000 0.205 127 K C 2.295 178.988 176.600 0.155 0.000 1.050 127 K CA 1.500 57.851 56.287 0.106 0.000 0.938 127 K CB -0.397 32.146 32.500 0.073 0.000 0.718 127 K HN 0.396 nan 8.250 nan 0.000 0.442 128 C N 1.139 120.552 119.300 0.189 0.000 2.462 128 C HA -0.035 4.425 4.460 -0.001 0.000 0.278 128 C C 2.412 177.616 174.990 0.357 0.000 1.253 128 C CA 0.529 59.711 59.018 0.274 0.000 1.713 128 C CB -0.901 27.052 27.740 0.355 0.000 2.049 128 C HN 0.399 nan 8.230 nan 0.000 0.477 129 L N 0.334 121.724 121.223 0.279 0.000 2.046 129 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 129 L C 3.025 180.036 176.870 0.235 0.000 1.077 129 L CA 1.731 56.728 54.840 0.261 0.000 0.747 129 L CB -0.676 41.496 42.059 0.188 0.000 0.896 129 L HN 0.367 nan 8.230 nan 0.000 0.432 130 R N -1.398 119.213 120.500 0.184 0.000 2.115 130 R HA -0.179 4.161 4.340 -0.001 0.000 0.226 130 R C 2.260 178.627 176.300 0.111 0.000 1.100 130 R CA 1.283 57.461 56.100 0.130 0.000 0.980 130 R CB -0.386 29.973 30.300 0.098 0.000 0.875 130 R HN 0.274 nan 8.270 nan 0.000 0.445 131 Y N 0.174 120.483 120.300 0.015 0.000 2.145 131 Y HA -0.264 4.286 4.550 -0.001 0.000 0.286 131 Y C 1.617 177.464 175.900 -0.088 0.000 1.145 131 Y CA 1.504 59.548 58.100 -0.093 0.000 1.148 131 Y CB -0.395 37.966 38.460 -0.165 0.000 0.981 131 Y HN -0.002 nan 8.280 nan 0.000 0.507 132 Y N -0.282 120.113 120.300 0.158 0.000 2.421 132 Y HA -0.109 4.440 4.550 -0.001 0.000 0.292 132 Y C 2.568 178.515 175.900 0.079 0.000 1.136 132 Y CA 0.671 58.852 58.100 0.135 0.000 1.255 132 Y CB -0.464 38.116 38.460 0.201 0.000 0.991 132 Y HN 0.286 nan 8.280 nan 0.000 0.552 133 A N 0.042 122.967 122.820 0.176 0.000 1.933 133 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 133 A C 2.491 180.093 177.584 0.029 0.000 1.175 133 A CA 1.767 53.875 52.037 0.118 0.000 0.628 133 A CB -1.358 17.695 19.000 0.090 0.000 0.814 133 A HN 0.462 nan 8.150 nan 0.000 0.444 134 G N -2.540 106.201 108.800 -0.098 0.000 2.484 134 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.218 134 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.218 134 G C 1.323 176.068 174.900 -0.257 0.000 1.130 134 G CA 0.597 45.564 45.100 -0.221 0.000 0.784 134 G HN 0.677 nan 8.290 nan 0.000 0.543 135 W N 0.595 121.789 121.300 -0.177 0.000 2.518 135 W HA 0.258 4.918 4.660 -0.001 0.000 0.273 135 W C 2.769 179.271 176.519 -0.029 0.000 1.247 135 W CA 0.294 57.564 57.345 -0.126 0.000 1.288 135 W CB 0.267 29.660 29.460 -0.111 0.000 1.107 135 W HN 0.248 nan 8.180 nan 0.000 0.586 136 A N 1.280 124.244 122.820 0.240 0.000 1.969 136 A HA -0.330 3.990 4.320 -0.001 0.000 0.223 136 A C 1.275 178.942 177.584 0.137 0.000 1.218 136 A CA 2.626 54.763 52.037 0.167 0.000 0.667 136 A CB -0.955 18.113 19.000 0.112 0.000 0.826 136 A HN 0.401 nan 8.150 nan 0.000 0.472 137 D N -2.695 117.771 120.400 0.110 0.000 2.593 137 D HA 0.252 4.891 4.640 -0.001 0.000 0.241 137 D C 0.481 176.824 176.300 0.072 0.000 1.257 137 D CA -0.059 53.993 54.000 0.088 0.000 0.828 137 D CB 0.042 40.878 40.800 0.060 0.000 1.049 137 D HN 0.496 nan 8.370 nan 0.000 0.490 138 K N -0.684 119.776 120.400 0.100 0.000 2.477 138 K HA 0.058 4.378 4.320 -0.001 0.000 0.208 138 K C -0.397 176.126 176.600 -0.128 0.000 1.117 138 K CA -0.446 55.795 56.287 -0.076 0.000 1.039 138 K CB 0.808 33.288 32.500 -0.034 0.000 0.937 138 K HN -0.034 nan 8.250 nan 0.000 0.570 139 Y N 3.086 123.374 120.300 -0.020 0.000 2.667 139 Y HA 0.128 4.678 4.550 -0.001 0.000 0.340 139 Y C -0.447 175.452 175.900 -0.002 0.000 1.303 139 Y CA -1.205 56.887 58.100 -0.014 0.000 1.769 139 Y CB -1.147 37.318 38.460 0.009 0.000 1.804 139 Y HN 0.083 nan 8.280 nan 0.000 0.451 140 H N 0.402 119.473 119.070 0.001 0.000 2.948 140 H HA 0.291 4.846 4.556 -0.001 0.000 0.351 140 H C 1.013 176.009 175.328 -0.555 0.000 1.079 140 H CA 0.446 56.391 56.048 -0.171 0.000 1.407 140 H CB 0.723 30.434 29.762 -0.086 0.000 1.373 140 H HN 0.681 nan 8.280 nan 0.000 0.605 141 G N 0.886 109.412 108.800 -0.458 0.000 2.543 141 G HA2 0.473 4.432 3.960 -0.001 0.000 0.267 141 G HA3 0.473 4.432 3.960 -0.001 0.000 0.267 141 G C -0.745 173.984 174.900 -0.284 0.000 1.406 141 G CA -0.887 43.749 45.100 -0.773 0.000 1.048 141 G HN 0.556 nan 8.290 nan 0.000 0.548 142 K N -0.801 119.512 120.400 -0.145 0.000 2.443 142 K HA 0.540 4.860 4.320 -0.001 0.000 0.251 142 K C -1.000 175.635 176.600 0.058 0.000 0.972 142 K CA -0.713 55.554 56.287 -0.032 0.000 0.833 142 K CB 2.179 34.669 32.500 -0.017 0.000 1.317 142 K HN 0.591 nan 8.250 nan 0.000 0.441 143 T N -0.760 113.846 114.554 0.086 0.000 2.758 143 T HA 0.589 4.938 4.350 -0.001 0.000 0.285 143 T C -0.061 174.721 174.700 0.136 0.000 0.981 143 T CA -0.722 61.490 62.100 0.186 0.000 0.965 143 T CB -0.058 68.957 68.868 0.244 0.000 0.927 143 T HN 0.370 nan 8.240 nan 0.000 0.448 144 I N 5.258 125.908 120.570 0.134 0.000 2.378 144 I HA 0.352 4.522 4.170 -0.001 0.000 0.291 144 I C -1.914 174.273 176.117 0.117 0.000 0.992 144 I CA -2.775 58.579 61.300 0.090 0.000 1.154 144 I CB 2.343 40.368 38.000 0.042 0.000 1.315 144 I HN 0.472 nan 8.210 nan 0.000 0.448 145 P HA 0.179 nan 4.420 nan 0.000 0.230 145 P C -0.077 177.276 177.300 0.087 0.000 1.791 145 P CA 0.086 63.244 63.100 0.096 0.000 1.020 145 P CB 0.269 32.009 31.700 0.067 0.000 1.977 146 I N 1.346 121.979 120.570 0.105 0.000 2.882 146 I HA 0.079 4.248 4.170 -0.001 0.000 0.286 146 I C 0.316 176.513 176.117 0.132 0.000 1.139 146 I CA -0.194 61.162 61.300 0.093 0.000 1.379 146 I CB 0.725 38.770 38.000 0.076 0.000 1.410 146 I HN 0.055 nan 8.210 nan 0.000 0.594 147 D N 4.425 124.895 120.400 0.116 0.000 2.382 147 D HA 0.420 5.060 4.640 -0.001 0.000 0.240 147 D C 0.384 176.837 176.300 0.256 0.000 1.146 147 D CA 1.105 55.187 54.000 0.136 0.000 0.897 147 D CB 0.838 41.696 40.800 0.096 0.000 1.197 147 D HN 0.936 nan 8.370 nan 0.000 0.432 148 G N 1.458 110.372 108.800 0.190 0.000 2.760 148 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.246 148 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.246 148 G C -0.739 174.148 174.900 -0.022 0.000 1.359 148 G CA -0.686 44.514 45.100 0.165 0.000 0.861 148 G HN 0.510 nan 8.290 nan 0.000 0.541 149 D N 1.048 121.183 120.400 -0.442 0.000 2.619 149 D HA 0.502 5.142 4.640 -0.001 0.000 0.224 149 D C -0.096 175.684 176.300 -0.866 0.000 1.133 149 D CA 0.889 54.576 54.000 -0.522 0.000 1.017 149 D CB -0.505 40.037 40.800 -0.429 0.000 1.077 149 D HN 0.286 nan 8.370 nan 0.000 0.503 150 F N 0.339 120.335 119.950 0.076 0.000 2.626 150 F HA 0.401 4.928 4.527 -0.001 0.000 0.311 150 F C -0.443 175.476 175.800 0.198 0.000 1.088 150 F CA -1.468 56.597 58.000 0.108 0.000 0.949 150 F CB 1.613 40.650 39.000 0.062 0.000 1.322 150 F HN -0.153 nan 8.300 nan 0.000 0.461 151 F N 2.075 122.175 119.950 0.249 0.000 2.403 151 F HA 0.655 5.182 4.527 -0.001 0.000 0.355 151 F C -0.653 175.276 175.800 0.216 0.000 1.119 151 F CA -1.193 56.922 58.000 0.193 0.000 1.007 151 F CB 1.045 40.144 39.000 0.166 0.000 1.194 151 F HN 0.269 nan 8.300 nan 0.000 0.443 152 S N 6.905 122.640 115.700 0.058 0.000 2.473 152 S HA 0.800 5.270 4.470 -0.001 0.000 0.307 152 S C -1.313 173.190 174.600 -0.162 0.000 1.094 152 S CA -0.263 57.830 58.200 -0.178 0.000 1.070 152 S CB 0.602 63.758 63.200 -0.073 0.000 1.019 152 S HN 0.687 nan 8.310 nan 0.000 0.480 153 Y N 0.206 120.273 120.300 -0.388 0.000 2.655 153 Y HA 0.793 5.343 4.550 -0.001 0.000 0.336 153 Y C -0.528 175.267 175.900 -0.175 0.000 1.154 153 Y CA -1.092 56.851 58.100 -0.261 0.000 1.055 153 Y CB 0.863 39.124 38.460 -0.331 0.000 1.295 153 Y HN 0.535 nan 8.280 nan 0.000 0.465 154 T N -0.477 114.107 114.554 0.048 0.000 2.887 154 T HA 0.697 5.046 4.350 -0.001 0.000 0.288 154 T C -0.925 173.826 174.700 0.085 0.000 1.021 154 T CA -1.088 61.007 62.100 -0.009 0.000 1.000 154 T CB 1.919 70.796 68.868 0.016 0.000 1.034 154 T HN 0.803 nan 8.240 nan 0.000 0.467 155 R N 0.999 121.551 120.500 0.088 0.000 2.387 155 R HA 0.324 4.664 4.340 -0.001 0.000 0.314 155 R C -0.480 175.948 176.300 0.214 0.000 0.958 155 R CA -0.680 55.497 56.100 0.129 0.000 0.846 155 R CB 1.085 31.459 30.300 0.123 0.000 1.147 155 R HN 0.740 nan 8.270 nan 0.000 0.447 156 H N 2.512 121.613 119.070 0.051 0.000 2.787 156 H HA 0.119 4.675 4.556 -0.001 0.000 0.275 156 H C -0.308 175.082 175.328 0.102 0.000 1.183 156 H CA -0.341 55.744 56.048 0.061 0.000 1.290 156 H CB 0.861 30.638 29.762 0.026 0.000 1.438 156 H HN 0.392 nan 8.280 nan 0.000 0.487 157 E N 4.046 124.367 120.200 0.201 0.000 2.250 157 E HA 0.232 4.582 4.350 -0.001 0.000 0.265 157 E C -2.457 174.262 176.600 0.199 0.000 1.033 157 E CA -2.265 54.242 56.400 0.179 0.000 0.888 157 E CB 1.034 30.826 29.700 0.154 0.000 1.151 157 E HN 0.375 nan 8.360 nan 0.000 0.412 158 P HA -0.063 nan 4.420 nan 0.000 0.271 158 P C 0.541 177.969 177.300 0.213 0.000 1.218 158 P CA -0.030 63.235 63.100 0.276 0.000 0.780 158 P CB 0.758 32.735 31.700 0.462 0.000 0.901 159 V N 2.135 122.112 119.914 0.105 0.000 2.626 159 V HA 0.069 4.189 4.120 -0.001 0.000 0.252 159 V C 1.017 177.039 176.094 -0.119 0.000 1.067 159 V CA 2.643 64.955 62.300 0.019 0.000 1.081 159 V CB -1.146 30.670 31.823 -0.012 0.000 0.686 159 V HN 0.947 nan 8.190 nan 0.000 0.468 160 G N -0.937 107.648 108.800 -0.357 0.000 2.348 160 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.199 160 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.199 160 G C -0.504 174.007 174.900 -0.648 0.000 1.235 160 G CA -0.238 44.278 45.100 -0.973 0.000 1.264 160 G HN 0.554 nan 8.290 nan 0.000 0.543 161 V N 1.127 120.786 119.914 -0.425 0.000 2.415 161 V HA 0.394 4.514 4.120 -0.001 0.000 0.267 161 V C 0.428 176.457 176.094 -0.109 0.000 1.042 161 V CA -0.094 62.079 62.300 -0.212 0.000 1.000 161 V CB 0.252 31.988 31.823 -0.146 0.000 1.015 161 V HN 0.820 nan 8.190 nan 0.000 0.478 162 C N 4.967 124.240 119.300 -0.044 0.000 2.264 162 C HA 0.662 5.121 4.460 -0.001 0.000 0.324 162 C C 1.062 176.076 174.990 0.040 0.000 1.267 162 C CA -0.995 58.047 59.018 0.039 0.000 1.618 162 C CB 0.223 28.070 27.740 0.179 0.000 2.278 162 C HN 0.996 nan 8.230 nan 0.000 0.499 163 G N 3.213 112.036 108.800 0.038 0.000 2.339 163 G HA2 0.505 4.464 3.960 -0.001 0.000 0.287 163 G HA3 0.505 4.464 3.960 -0.001 0.000 0.287 163 G C -0.708 174.246 174.900 0.090 0.000 1.163 163 G CA -0.123 45.004 45.100 0.046 0.000 0.872 163 G HN 0.817 nan 8.290 nan 0.000 0.464 164 Q N 1.787 121.642 119.800 0.091 0.000 2.310 164 Q HA 0.423 4.763 4.340 -0.001 0.000 0.270 164 Q C -0.823 175.242 176.000 0.109 0.000 1.025 164 Q CA -0.454 55.417 55.803 0.112 0.000 0.772 164 Q CB 2.714 31.510 28.738 0.098 0.000 1.253 164 Q HN 0.527 nan 8.270 nan 0.000 0.450 165 I N 4.766 125.422 120.570 0.142 0.000 2.355 165 I HA 0.437 4.607 4.170 -0.001 0.000 0.288 165 I C -0.120 176.014 176.117 0.028 0.000 0.999 165 I CA -0.788 60.602 61.300 0.150 0.000 1.163 165 I CB 0.892 39.095 38.000 0.338 0.000 1.316 165 I HN 0.527 nan 8.210 nan 0.000 0.454 166 I N 5.522 126.094 120.570 0.004 0.000 2.562 166 I HA 0.726 4.895 4.170 -0.001 0.000 0.301 166 I C -2.553 173.513 176.117 -0.085 0.000 1.003 166 I CA -2.193 59.065 61.300 -0.071 0.000 1.127 166 I CB 1.945 39.924 38.000 -0.036 0.000 1.304 166 I HN 0.237 nan 8.210 nan 0.000 0.446 167 P HA 0.117 nan 4.420 nan 0.000 0.297 167 P C -0.116 177.097 177.300 -0.146 0.000 1.303 167 P CA -0.115 62.831 63.100 -0.257 0.000 0.753 167 P CB 0.571 31.998 31.700 -0.454 0.000 1.281 168 W N 0.126 121.407 121.300 -0.031 0.000 3.107 168 W HA 0.052 4.712 4.660 -0.001 0.000 0.293 168 W C 0.990 177.432 176.519 -0.129 0.000 1.239 168 W CA 0.243 57.557 57.345 -0.053 0.000 1.653 168 W CB -1.573 27.866 29.460 -0.035 0.000 1.068 168 W HN 0.210 nan 8.180 nan 0.000 0.615 169 N N 2.233 120.711 118.700 -0.370 0.000 2.188 169 N HA -0.189 4.551 4.740 -0.001 0.000 0.184 169 N C -0.097 174.928 175.510 -0.807 0.000 1.018 169 N CA 0.982 53.719 53.050 -0.522 0.000 0.858 169 N CB -1.167 36.868 38.487 -0.752 0.000 0.989 169 N HN 0.133 nan 8.380 nan 0.000 0.426 170 F N -0.641 119.178 119.950 -0.219 0.000 2.872 170 F HA 0.420 4.946 4.527 -0.001 0.000 0.365 170 F C -1.869 173.810 175.800 -0.202 0.000 1.296 170 F CA -1.991 55.865 58.000 -0.240 0.000 1.199 170 F CB 2.220 40.992 39.000 -0.379 0.000 1.687 170 F HN -0.179 nan 8.300 nan 0.000 0.604 171 P HA -0.202 nan 4.420 nan 0.000 0.212 171 P C 1.870 179.171 177.300 0.001 0.000 1.178 171 P CA 1.675 64.784 63.100 0.014 0.000 0.915 171 P CB 0.397 32.120 31.700 0.037 0.000 0.788 172 L N -1.987 119.242 121.223 0.010 0.000 2.056 172 L HA -0.147 4.193 4.340 -0.001 0.000 0.207 172 L C 2.439 179.292 176.870 -0.029 0.000 1.078 172 L CA 0.883 55.729 54.840 0.010 0.000 0.749 172 L CB -0.925 41.151 42.059 0.029 0.000 0.901 172 L HN -0.017 nan 8.230 nan 0.000 0.433 173 L N -0.778 120.395 121.223 -0.082 0.000 2.056 173 L HA -0.175 4.164 4.340 -0.001 0.000 0.207 173 L C 2.431 179.048 176.870 -0.422 0.000 1.078 173 L CA 1.776 56.474 54.840 -0.237 0.000 0.749 173 L CB -0.383 41.452 42.059 -0.373 0.000 0.901 173 L HN 0.169 nan 8.230 nan 0.000 0.433 174 M N -0.963 118.416 119.600 -0.367 0.000 2.229 174 M HA -0.199 4.281 4.480 -0.001 0.000 0.264 174 M C 2.215 178.462 176.300 -0.089 0.000 1.063 174 M CA 1.457 56.564 55.300 -0.323 0.000 1.114 174 M CB -1.181 31.285 32.600 -0.223 0.000 1.387 174 M HN 0.516 nan 8.290 nan 0.000 0.420 175 Q N 0.072 119.841 119.800 -0.052 0.000 2.079 175 Q HA -0.114 4.226 4.340 -0.001 0.000 0.200 175 Q C 2.002 178.022 176.000 0.033 0.000 0.974 175 Q CA 1.858 57.660 55.803 -0.002 0.000 0.840 175 Q CB 0.019 28.756 28.738 -0.001 0.000 0.898 175 Q HN 0.458 nan 8.270 nan 0.000 0.430 176 A N 0.041 122.899 122.820 0.063 0.000 1.898 176 A HA -0.165 4.155 4.320 -0.001 0.000 0.216 176 A C 1.513 179.259 177.584 0.270 0.000 1.181 176 A CA 1.145 53.273 52.037 0.150 0.000 0.620 176 A CB -1.098 18.014 19.000 0.186 0.000 0.819 176 A HN 0.631 nan 8.150 nan 0.000 0.442 177 W N 0.468 121.775 121.300 0.013 0.000 2.392 177 W HA -0.042 4.617 4.660 -0.001 0.000 0.279 177 W C 2.036 178.527 176.519 -0.046 0.000 1.225 177 W CA 1.246 58.606 57.345 0.025 0.000 1.233 177 W CB -0.161 29.317 29.460 0.029 0.000 1.122 177 W HN 0.258 nan 8.180 nan 0.000 0.561 178 K N -0.526 119.970 120.400 0.160 0.000 2.141 178 K HA 0.121 4.441 4.320 -0.001 0.000 0.202 178 K C 2.047 178.563 176.600 -0.140 0.000 1.045 178 K CA 0.563 56.866 56.287 0.026 0.000 0.971 178 K CB -0.858 31.680 32.500 0.063 0.000 0.795 178 K HN 0.199 nan 8.250 nan 0.000 0.459 179 L N 0.507 121.678 121.223 -0.087 0.000 2.093 179 L HA -0.076 4.263 4.340 -0.001 0.000 0.208 179 L C 2.476 179.254 176.870 -0.154 0.000 1.085 179 L CA 1.333 56.093 54.840 -0.133 0.000 0.755 179 L CB -1.008 40.986 42.059 -0.107 0.000 0.904 179 L HN 0.263 nan 8.230 nan 0.000 0.435 180 G N 1.284 110.017 108.800 -0.113 0.000 2.545 180 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.217 180 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.217 180 G C -0.492 174.142 174.900 -0.442 0.000 1.218 180 G CA 1.096 46.126 45.100 -0.116 0.000 0.787 180 G HN 0.309 nan 8.290 nan 0.000 0.571 181 P HA -0.031 nan 4.420 nan 0.000 0.216 181 P C 2.062 178.973 177.300 -0.649 0.000 1.153 181 P CA 2.071 64.615 63.100 -0.928 0.000 0.848 181 P CB -0.177 30.983 31.700 -0.900 0.000 0.787 182 A N 0.443 122.761 122.820 -0.838 0.000 1.877 182 A HA -0.131 4.189 4.320 -0.001 0.000 0.216 182 A C 2.479 179.981 177.584 -0.136 0.000 1.186 182 A CA 1.554 53.183 52.037 -0.680 0.000 0.620 182 A CB -1.590 17.046 19.000 -0.607 0.000 0.822 182 A HN 0.128 nan 8.150 nan 0.000 0.443 183 L N -1.008 120.199 121.223 -0.028 0.000 2.109 183 L HA -0.085 4.255 4.340 -0.001 0.000 0.207 183 L C 3.051 180.108 176.870 0.312 0.000 1.086 183 L CA 0.798 55.813 54.840 0.291 0.000 0.760 183 L CB -0.591 41.633 42.059 0.275 0.000 0.910 183 L HN 0.422 nan 8.230 nan 0.000 0.437 184 A N 0.335 123.244 122.820 0.149 0.000 1.978 184 A HA -0.205 4.114 4.320 -0.001 0.000 0.220 184 A C 2.182 179.838 177.584 0.120 0.000 1.170 184 A CA 2.248 54.383 52.037 0.163 0.000 0.636 184 A CB -0.866 18.250 19.000 0.193 0.000 0.810 184 A HN 0.511 nan 8.150 nan 0.000 0.448 185 T N -4.376 110.224 114.554 0.077 0.000 3.163 185 T HA 0.433 4.783 4.350 -0.001 0.000 0.252 185 T C 1.166 175.939 174.700 0.122 0.000 1.056 185 T CA 0.894 63.050 62.100 0.092 0.000 0.947 185 T CB -0.045 68.867 68.868 0.073 0.000 1.016 185 T HN 1.700 nan 8.240 nan 0.000 0.554 186 G N 1.656 110.534 108.800 0.130 0.000 2.147 186 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.244 186 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.244 186 G C -0.021 175.167 174.900 0.480 0.000 1.005 186 G CA -0.202 44.944 45.100 0.077 0.000 0.713 186 G HN 0.605 nan 8.290 nan 0.000 0.515 187 N N -0.734 118.251 118.700 0.474 0.000 2.413 187 N HA 0.598 5.338 4.740 -0.001 0.000 0.266 187 N C 0.487 176.261 175.510 0.440 0.000 1.238 187 N CA 0.437 53.709 53.050 0.370 0.000 0.972 187 N CB 1.798 40.388 38.487 0.171 0.000 1.210 187 N HN 0.648 nan 8.380 nan 0.000 0.547 188 V N -2.003 118.012 119.914 0.168 0.000 2.815 188 V HA 0.722 4.842 4.120 -0.001 0.000 0.314 188 V C -0.161 175.919 176.094 -0.024 0.000 1.064 188 V CA -0.748 61.582 62.300 0.051 0.000 0.952 188 V CB 1.656 33.521 31.823 0.070 0.000 1.020 188 V HN 0.245 nan 8.190 nan 0.000 0.439 189 V N 2.837 122.714 119.914 -0.060 0.000 2.735 189 V HA 0.596 4.716 4.120 -0.001 0.000 0.310 189 V C -0.505 175.565 176.094 -0.040 0.000 1.061 189 V CA -0.539 61.734 62.300 -0.046 0.000 0.913 189 V CB 2.153 33.939 31.823 -0.061 0.000 1.005 189 V HN 0.791 nan 8.190 nan 0.000 0.428 190 V N 5.331 125.231 119.914 -0.023 0.000 2.325 190 V HA 0.448 4.568 4.120 -0.001 0.000 0.280 190 V C -0.175 175.928 176.094 0.015 0.000 1.016 190 V CA -0.212 62.079 62.300 -0.015 0.000 0.818 190 V CB 1.323 33.120 31.823 -0.044 0.000 1.019 190 V HN 0.895 nan 8.190 nan 0.000 0.434 191 M N 4.787 124.404 119.600 0.028 0.000 2.300 191 M HA 0.576 5.056 4.480 -0.001 0.000 0.348 191 M C -0.626 175.714 176.300 0.067 0.000 1.151 191 M CA -0.501 54.826 55.300 0.045 0.000 1.046 191 M CB 1.349 33.966 32.600 0.029 0.000 1.647 191 M HN 0.360 nan 8.290 nan 0.000 0.451 192 K N 4.922 125.370 120.400 0.079 0.000 2.394 192 K HA 0.445 4.764 4.320 -0.001 0.000 0.260 192 K C -1.267 175.392 176.600 0.098 0.000 0.967 192 K CA -0.387 55.957 56.287 0.094 0.000 0.855 192 K CB 1.140 33.701 32.500 0.102 0.000 1.101 192 K HN 0.675 nan 8.250 nan 0.000 0.433 193 V N 0.580 120.560 119.914 0.109 0.000 2.973 193 V HA 0.731 4.851 4.120 -0.001 0.000 0.314 193 V C 0.330 176.505 176.094 0.135 0.000 1.066 193 V CA -1.148 61.220 62.300 0.113 0.000 1.021 193 V CB 1.252 33.149 31.823 0.123 0.000 1.076 193 V HN 0.719 nan 8.190 nan 0.000 0.462 194 A N 1.702 124.612 122.820 0.149 0.000 2.440 194 A HA 0.318 4.638 4.320 -0.001 0.000 0.251 194 A C 1.186 178.887 177.584 0.195 0.000 1.089 194 A CA 0.299 52.451 52.037 0.193 0.000 0.779 194 A CB -0.113 19.056 19.000 0.281 0.000 1.022 194 A HN 1.166 nan 8.150 nan 0.000 0.492 195 E N 1.620 121.907 120.200 0.145 0.000 2.265 195 E HA -0.273 4.076 4.350 -0.001 0.000 0.196 195 E C 1.014 177.739 176.600 0.208 0.000 0.996 195 E CA 1.590 58.045 56.400 0.091 0.000 0.832 195 E CB -0.185 29.472 29.700 -0.072 0.000 0.756 195 E HN 0.799 nan 8.360 nan 0.000 0.491 196 Q N 0.700 120.577 119.800 0.129 0.000 2.245 196 Q HA 0.000 4.340 4.340 -0.001 0.000 0.201 196 Q C 0.598 176.651 176.000 0.089 0.000 0.955 196 Q CA 1.640 57.464 55.803 0.034 0.000 0.870 196 Q CB 0.649 29.267 28.738 -0.200 0.000 0.945 196 Q HN 0.443 nan 8.270 nan 0.000 0.461 197 T N -3.569 111.081 114.554 0.159 0.000 3.583 197 T HA 0.290 4.640 4.350 -0.001 0.000 0.266 197 T C -2.475 172.314 174.700 0.148 0.000 1.296 197 T CA -1.294 60.887 62.100 0.136 0.000 1.668 197 T CB 1.147 70.097 68.868 0.137 0.000 0.832 197 T HN -0.054 nan 8.240 nan 0.000 0.649 198 P HA 0.179 nan 4.420 nan 0.000 0.228 198 P C 1.716 179.091 177.300 0.125 0.000 1.166 198 P CA -0.072 63.134 63.100 0.177 0.000 0.812 198 P CB 0.380 32.238 31.700 0.265 0.000 0.857 199 L N 0.693 121.966 121.223 0.084 0.000 1.963 199 L HA -0.212 4.128 4.340 -0.001 0.000 0.220 199 L C 2.871 179.799 176.870 0.096 0.000 1.076 199 L CA 3.093 57.969 54.840 0.060 0.000 0.772 199 L CB -2.407 39.658 42.059 0.009 0.000 0.892 199 L HN 0.113 nan 8.230 nan 0.000 0.435 200 T N -1.802 112.796 114.554 0.073 0.000 2.699 200 T HA -0.246 4.104 4.350 -0.001 0.000 0.268 200 T C 1.921 176.714 174.700 0.155 0.000 1.036 200 T CA 1.310 63.470 62.100 0.099 0.000 1.147 200 T CB -0.625 68.272 68.868 0.048 0.000 0.862 200 T HN 0.384 nan 8.240 nan 0.000 0.446 201 A N 1.686 124.576 122.820 0.116 0.000 1.933 201 A HA 0.157 4.477 4.320 -0.001 0.000 0.218 201 A C 2.514 180.162 177.584 0.106 0.000 1.175 201 A CA 1.400 53.493 52.037 0.093 0.000 0.628 201 A CB -0.884 18.163 19.000 0.078 0.000 0.814 201 A HN 0.567 nan 8.150 nan 0.000 0.444 202 L N -2.281 119.042 121.223 0.168 0.000 2.083 202 L HA -0.186 4.154 4.340 -0.001 0.000 0.209 202 L C 2.584 179.615 176.870 0.269 0.000 1.083 202 L CA 1.693 56.691 54.840 0.263 0.000 0.752 202 L CB -0.625 41.570 42.059 0.227 0.000 0.899 202 L HN 0.588 nan 8.230 nan 0.000 0.433 203 Y N 0.158 120.540 120.300 0.136 0.000 2.293 203 Y HA -0.175 4.375 4.550 -0.001 0.000 0.291 203 Y C 2.346 178.322 175.900 0.127 0.000 1.137 203 Y CA 1.187 59.391 58.100 0.174 0.000 1.202 203 Y CB -0.072 38.544 38.460 0.261 0.000 0.990 203 Y HN -0.168 nan 8.280 nan 0.000 0.537 204 V N 0.157 120.120 119.914 0.081 0.000 2.515 204 V HA -0.285 3.835 4.120 -0.001 0.000 0.250 204 V C 2.601 178.566 176.094 -0.213 0.000 1.058 204 V CA 1.527 63.805 62.300 -0.037 0.000 1.064 204 V CB -1.360 30.473 31.823 0.016 0.000 0.675 204 V HN 0.553 nan 8.190 nan 0.000 0.461 205 A N 0.251 122.888 122.820 -0.305 0.000 1.978 205 A HA -0.272 4.048 4.320 -0.001 0.000 0.220 205 A C 2.049 179.167 177.584 -0.777 0.000 1.170 205 A CA 2.270 53.822 52.037 -0.809 0.000 0.636 205 A CB -0.721 17.545 19.000 -1.223 0.000 0.810 205 A HN 0.577 nan 8.150 nan 0.000 0.448 206 N N -0.211 118.307 118.700 -0.303 0.000 2.270 206 N HA -0.003 4.737 4.740 -0.001 0.000 0.181 206 N C 1.491 176.904 175.510 -0.161 0.000 1.016 206 N CA 1.039 54.034 53.050 -0.092 0.000 0.870 206 N CB -0.282 38.155 38.487 -0.084 0.000 0.979 206 N HN 0.495 nan 8.380 nan 0.000 0.431 207 L N -0.192 120.885 121.223 -0.242 0.000 2.217 207 L HA 0.013 4.352 4.340 -0.001 0.000 0.211 207 L C 1.885 178.742 176.870 -0.022 0.000 1.107 207 L CA 0.530 55.297 54.840 -0.121 0.000 0.783 207 L CB -0.252 41.756 42.059 -0.086 0.000 0.919 207 L HN 0.197 nan 8.230 nan 0.000 0.442 208 I N 0.250 120.766 120.570 -0.090 0.000 2.315 208 I HA -0.299 3.870 4.170 -0.001 0.000 0.248 208 I C 2.722 178.933 176.117 0.157 0.000 1.117 208 I CA 1.326 62.602 61.300 -0.039 0.000 1.404 208 I CB -0.222 37.597 38.000 -0.303 0.000 1.071 208 I HN 0.269 nan 8.210 nan 0.000 0.419 209 K N 1.221 121.686 120.400 0.108 0.000 2.057 209 K HA -0.238 4.081 4.320 -0.001 0.000 0.206 209 K C 2.080 178.758 176.600 0.129 0.000 1.050 209 K CA 1.572 57.964 56.287 0.174 0.000 0.935 209 K CB -0.074 32.556 32.500 0.217 0.000 0.715 209 K HN 0.240 nan 8.250 nan 0.000 0.439 210 E N -0.136 120.117 120.200 0.088 0.000 2.150 210 E HA -0.153 4.197 4.350 -0.001 0.000 0.193 210 E C 1.635 178.285 176.600 0.083 0.000 0.985 210 E CA 0.843 57.282 56.400 0.066 0.000 0.814 210 E CB -0.055 29.664 29.700 0.031 0.000 0.752 210 E HN 0.454 nan 8.360 nan 0.000 0.466 211 A N 0.095 122.994 122.820 0.131 0.000 2.015 211 A HA 0.050 4.370 4.320 -0.001 0.000 0.219 211 A C 1.859 179.479 177.584 0.060 0.000 1.163 211 A CA 1.408 53.523 52.037 0.131 0.000 0.646 211 A CB -0.417 18.750 19.000 0.278 0.000 0.806 211 A HN 0.499 nan 8.150 nan 0.000 0.448 212 G N -2.849 106.016 108.800 0.108 0.000 2.154 212 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.186 212 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.186 212 G C -0.047 174.879 174.900 0.043 0.000 1.000 212 G CA -0.209 44.924 45.100 0.055 0.000 0.664 212 G HN 0.270 nan 8.290 nan 0.000 0.513 213 F N 1.631 121.595 119.950 0.024 0.000 2.538 213 F HA 0.404 4.930 4.527 -0.001 0.000 0.371 213 F C -1.132 174.640 175.800 -0.047 0.000 1.087 213 F CA -1.368 56.611 58.000 -0.035 0.000 1.250 213 F CB 0.473 39.390 39.000 -0.138 0.000 1.110 213 F HN -0.091 nan 8.300 nan 0.000 0.570 214 P HA 0.036 nan 4.420 nan 0.000 0.267 214 P C -2.513 174.786 177.300 -0.001 0.000 1.200 214 P CA -0.772 62.371 63.100 0.071 0.000 0.772 214 P CB 0.050 31.828 31.700 0.130 0.000 0.855 215 P HA 0.018 nan 4.420 nan 0.000 0.264 215 P C 1.013 178.262 177.300 -0.085 0.000 1.183 215 P CA 1.396 64.451 63.100 -0.075 0.000 0.763 215 P CB 0.101 31.761 31.700 -0.066 0.000 0.807 216 G N 1.237 109.958 108.800 -0.131 0.000 2.225 216 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.254 216 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.254 216 G C 1.021 175.848 174.900 -0.123 0.000 0.988 216 G CA 0.281 45.316 45.100 -0.108 0.000 0.625 216 G HN 0.408 nan 8.290 nan 0.000 0.527 217 V N -0.307 119.488 119.914 -0.199 0.000 2.427 217 V HA 0.107 4.227 4.120 -0.001 0.000 0.248 217 V C 1.389 177.319 176.094 -0.274 0.000 1.051 217 V CA 1.970 64.043 62.300 -0.378 0.000 1.048 217 V CB 0.172 31.564 31.823 -0.719 0.000 0.666 217 V HN 0.398 nan 8.190 nan 0.000 0.456 218 V N 1.350 121.158 119.914 -0.176 0.000 2.577 218 V HA 0.482 4.602 4.120 -0.001 0.000 0.303 218 V C -0.921 175.209 176.094 0.060 0.000 1.042 218 V CA -0.793 61.446 62.300 -0.103 0.000 0.872 218 V CB 1.931 33.642 31.823 -0.186 0.000 0.998 218 V HN 0.421 nan 8.190 nan 0.000 0.423 219 N N 5.290 124.016 118.700 0.044 0.000 2.352 219 N HA 0.623 5.363 4.740 -0.001 0.000 0.291 219 N C -1.275 174.300 175.510 0.108 0.000 1.040 219 N CA -0.402 52.705 53.050 0.096 0.000 0.864 219 N CB 3.015 41.496 38.487 -0.010 0.000 1.440 219 N HN 0.494 nan 8.380 nan 0.000 0.483 220 I N 1.596 122.276 120.570 0.184 0.000 2.406 220 I HA 0.336 4.505 4.170 -0.001 0.000 0.290 220 I C -0.351 175.865 176.117 0.165 0.000 0.999 220 I CA -0.978 60.407 61.300 0.142 0.000 1.124 220 I CB 2.037 40.111 38.000 0.123 0.000 1.289 220 I HN 0.050 nan 8.210 nan 0.000 0.441 221 V N 8.141 128.133 119.914 0.129 0.000 2.284 221 V HA 0.294 4.414 4.120 -0.001 0.000 0.274 221 V C -2.066 174.109 176.094 0.135 0.000 1.023 221 V CA -1.542 60.834 62.300 0.127 0.000 0.808 221 V CB 1.170 33.043 31.823 0.083 0.000 1.035 221 V HN 0.576 nan 8.190 nan 0.000 0.445 222 P HA 0.570 nan 4.420 nan 0.000 0.274 222 P C 0.220 177.615 177.300 0.159 0.000 1.231 222 P CA 0.498 63.731 63.100 0.221 0.000 0.790 222 P CB 2.095 33.978 31.700 0.304 0.000 0.951 223 G N 0.473 109.278 108.800 0.007 0.000 2.368 223 G HA2 0.268 4.227 3.960 -0.001 0.000 0.269 223 G HA3 0.268 4.227 3.960 -0.001 0.000 0.269 223 G C -1.602 173.021 174.900 -0.461 0.000 1.291 223 G CA -0.829 44.033 45.100 -0.397 0.000 0.903 223 G HN 0.329 nan 8.290 nan 0.000 0.483 224 F N 0.405 120.253 119.950 -0.170 0.000 2.457 224 F HA 0.553 5.080 4.527 -0.001 0.000 0.330 224 F C 1.778 177.553 175.800 -0.042 0.000 1.069 224 F CA -0.308 57.606 58.000 -0.142 0.000 1.009 224 F CB 1.798 40.715 39.000 -0.137 0.000 1.276 224 F HN 0.673 nan 8.300 nan 0.000 0.492 225 G N 0.482 109.403 108.800 0.203 0.000 2.434 225 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.214 225 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.214 225 G C -1.058 173.899 174.900 0.095 0.000 1.202 225 G CA 0.564 45.743 45.100 0.132 0.000 0.788 225 G HN 0.431 nan 8.290 nan 0.000 0.539 226 P HA -0.034 nan 4.420 nan 0.000 0.223 226 P C 1.752 179.091 177.300 0.065 0.000 1.144 226 P CA 2.010 65.141 63.100 0.052 0.000 0.783 226 P CB 0.036 31.758 31.700 0.037 0.000 0.771 227 T N -3.990 110.623 114.554 0.099 0.000 3.395 227 T HA 0.298 4.647 4.350 -0.001 0.000 0.230 227 T C 1.944 176.681 174.700 0.062 0.000 0.958 227 T CA 0.541 62.690 62.100 0.081 0.000 1.377 227 T CB -1.121 67.808 68.868 0.102 0.000 1.124 227 T HN -0.110 nan 8.240 nan 0.000 0.425 228 A N 1.816 124.669 122.820 0.055 0.000 1.877 228 A HA 0.236 4.555 4.320 -0.001 0.000 0.216 228 A C 2.636 180.259 177.584 0.066 0.000 1.186 228 A CA 2.035 54.102 52.037 0.050 0.000 0.620 228 A CB -1.761 17.258 19.000 0.031 0.000 0.822 228 A HN 0.689 nan 8.150 nan 0.000 0.443 229 G N -0.584 108.262 108.800 0.077 0.000 2.421 229 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.216 229 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.216 229 G C 1.769 176.700 174.900 0.052 0.000 1.171 229 G CA 1.567 46.717 45.100 0.083 0.000 0.775 229 G HN 0.840 nan 8.290 nan 0.000 0.543 230 A N 1.134 123.975 122.820 0.036 0.000 1.933 230 A HA 0.254 4.573 4.320 -0.001 0.000 0.218 230 A C 2.806 180.408 177.584 0.029 0.000 1.175 230 A CA 2.241 54.286 52.037 0.013 0.000 0.628 230 A CB -0.747 18.258 19.000 0.009 0.000 0.814 230 A HN 0.812 nan 8.150 nan 0.000 0.444 231 A N -0.069 122.780 122.820 0.049 0.000 1.933 231 A HA -0.090 4.230 4.320 -0.001 0.000 0.218 231 A C 2.121 179.774 177.584 0.115 0.000 1.175 231 A CA 1.518 53.598 52.037 0.072 0.000 0.628 231 A CB -0.564 18.487 19.000 0.084 0.000 0.814 231 A HN 0.509 nan 8.150 nan 0.000 0.444 232 I N -0.388 120.239 120.570 0.095 0.000 2.179 232 I HA -0.272 3.897 4.170 -0.001 0.000 0.242 232 I C 2.969 179.137 176.117 0.085 0.000 1.088 232 I CA 1.114 62.468 61.300 0.091 0.000 1.357 232 I CB -0.356 37.684 38.000 0.067 0.000 1.051 232 I HN 0.360 nan 8.210 nan 0.000 0.409 233 A N -0.429 122.421 122.820 0.050 0.000 1.972 233 A HA -0.154 4.166 4.320 -0.001 0.000 0.219 233 A C 2.310 179.908 177.584 0.023 0.000 1.169 233 A CA 1.986 54.035 52.037 0.020 0.000 0.635 233 A CB -0.427 18.556 19.000 -0.027 0.000 0.810 233 A HN 0.394 nan 8.150 nan 0.000 0.446 234 S N -1.153 114.566 115.700 0.031 0.000 2.556 234 S HA 0.092 4.561 4.470 -0.001 0.000 0.216 234 S C 0.525 175.135 174.600 0.017 0.000 0.970 234 S CA -0.553 57.653 58.200 0.011 0.000 0.912 234 S CB -0.229 62.964 63.200 -0.013 0.000 0.790 234 S HN 0.663 nan 8.310 nan 0.000 0.504 235 H N 2.770 121.837 119.070 -0.006 0.000 2.964 235 H HA 0.065 4.621 4.556 -0.001 0.000 0.328 235 H C 0.827 176.152 175.328 -0.005 0.000 1.030 235 H CA 0.606 56.652 56.048 -0.004 0.000 1.445 235 H CB 0.641 30.403 29.762 -0.000 0.000 1.449 235 H HN 0.163 nan 8.280 nan 0.000 0.581 236 E N 3.073 123.246 120.200 -0.044 0.000 2.478 236 E HA -0.111 4.239 4.350 -0.001 0.000 0.198 236 E C 0.612 177.300 176.600 0.146 0.000 1.046 236 E CA 0.652 57.072 56.400 0.034 0.000 0.870 236 E CB 0.269 29.942 29.700 -0.045 0.000 0.818 236 E HN 0.595 nan 8.360 nan 0.000 0.527 237 D N -0.529 120.096 120.400 0.375 0.000 2.469 237 D HA 0.041 4.680 4.640 -0.001 0.000 0.215 237 D C -0.565 175.782 176.300 0.078 0.000 1.154 237 D CA -0.005 54.118 54.000 0.206 0.000 0.832 237 D CB 0.742 41.661 40.800 0.200 0.000 1.008 237 D HN -0.211 nan 8.370 nan 0.000 0.506 238 V N 1.846 121.811 119.914 0.086 0.000 2.406 238 V HA 0.142 4.262 4.120 -0.001 0.000 0.272 238 V C 0.892 176.987 176.094 0.001 0.000 1.043 238 V CA -0.307 61.990 62.300 -0.005 0.000 0.915 238 V CB 1.673 33.498 31.823 0.002 0.000 0.988 238 V HN 0.085 nan 8.190 nan 0.000 0.466 239 D N 2.928 123.306 120.400 -0.036 0.000 2.213 239 D HA 0.025 4.665 4.640 -0.001 0.000 0.205 239 D C 0.829 177.104 176.300 -0.041 0.000 0.961 239 D CA 0.947 54.924 54.000 -0.039 0.000 0.853 239 D CB 0.607 41.363 40.800 -0.072 0.000 0.967 239 D HN 0.368 nan 8.370 nan 0.000 0.496 240 K N 0.844 121.217 120.400 -0.045 0.000 2.523 240 K HA 0.363 4.682 4.320 -0.001 0.000 0.257 240 K C -1.909 174.676 176.600 -0.025 0.000 0.932 240 K CA -0.610 55.643 56.287 -0.057 0.000 0.812 240 K CB 3.046 35.481 32.500 -0.108 0.000 1.326 240 K HN -0.137 nan 8.250 nan 0.000 0.433 241 V N 2.114 122.016 119.914 -0.020 0.000 2.656 241 V HA 0.840 4.959 4.120 -0.001 0.000 0.307 241 V C -1.397 174.720 176.094 0.040 0.000 1.051 241 V CA -0.419 61.898 62.300 0.028 0.000 0.893 241 V CB 1.622 33.468 31.823 0.038 0.000 0.999 241 V HN 0.881 nan 8.190 nan 0.000 0.426 242 A N 6.464 129.345 122.820 0.102 0.000 2.335 242 A HA 0.831 5.151 4.320 -0.001 0.000 0.304 242 A C -1.355 176.356 177.584 0.212 0.000 1.118 242 A CA -0.427 51.689 52.037 0.132 0.000 0.757 242 A CB 0.983 20.080 19.000 0.161 0.000 1.188 242 A HN 1.182 nan 8.150 nan 0.000 0.460 243 F N 2.155 122.136 119.950 0.052 0.000 2.520 243 F HA 0.730 5.256 4.527 -0.001 0.000 0.322 243 F C -0.406 175.430 175.800 0.060 0.000 1.103 243 F CA -0.064 57.966 58.000 0.050 0.000 0.926 243 F CB 2.318 41.337 39.000 0.033 0.000 1.154 243 F HN 0.391 nan 8.300 nan 0.000 0.453 244 T N 4.708 118.736 114.554 -0.878 0.000 2.840 244 T HA 0.771 5.121 4.350 -0.001 0.000 0.287 244 T C -0.114 173.905 174.700 -1.134 0.000 0.991 244 T CA -0.246 61.434 62.100 -0.700 0.000 0.964 244 T CB 1.142 69.845 68.868 -0.274 0.000 0.954 244 T HN 1.097 nan 8.240 nan 0.000 0.438 245 G N 1.984 110.278 108.800 -0.843 0.000 2.485 245 G HA2 0.484 4.444 3.960 -0.001 0.000 0.182 245 G HA3 0.484 4.444 3.960 -0.001 0.000 0.182 245 G C -0.639 174.198 174.900 -0.105 0.000 1.172 245 G CA -0.229 44.574 45.100 -0.494 0.000 0.996 245 G HN 0.893 nan 8.290 nan 0.000 0.496 246 S N -0.432 115.322 115.700 0.090 0.000 2.601 246 S HA 0.477 4.946 4.470 -0.001 0.000 0.271 246 S C 1.200 175.924 174.600 0.208 0.000 1.305 246 S CA 0.927 59.180 58.200 0.088 0.000 1.022 246 S CB 1.435 64.672 63.200 0.061 0.000 0.940 246 S HN 0.680 nan 8.310 nan 0.000 0.525 247 T N 1.155 115.815 114.554 0.176 0.000 2.833 247 T HA -0.118 4.232 4.350 -0.001 0.000 0.269 247 T C 1.607 176.373 174.700 0.110 0.000 1.054 247 T CA 1.692 63.898 62.100 0.177 0.000 1.135 247 T CB -0.460 68.534 68.868 0.211 0.000 0.869 247 T HN 0.860 nan 8.240 nan 0.000 0.466 248 E N 0.583 120.839 120.200 0.092 0.000 2.031 248 E HA -0.143 4.207 4.350 -0.001 0.000 0.193 248 E C 1.898 178.503 176.600 0.009 0.000 0.994 248 E CA 1.094 57.521 56.400 0.045 0.000 0.800 248 E CB -0.031 29.696 29.700 0.045 0.000 0.752 248 E HN 0.307 nan 8.360 nan 0.000 0.447 249 I N 0.940 121.523 120.570 0.023 0.000 2.617 249 I HA -0.060 4.110 4.170 -0.001 0.000 0.256 249 I C 2.511 178.436 176.117 -0.319 0.000 1.167 249 I CA 1.125 62.354 61.300 -0.119 0.000 1.469 249 I CB -1.601 36.367 38.000 -0.054 0.000 1.098 249 I HN 0.229 nan 8.210 nan 0.000 0.436 250 G N 1.337 110.072 108.800 -0.109 0.000 2.442 250 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.219 250 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.219 250 G C 1.878 176.711 174.900 -0.112 0.000 1.141 250 G CA 0.402 45.448 45.100 -0.090 0.000 0.763 250 G HN 0.340 nan 8.290 nan 0.000 0.554 251 R N -0.277 120.180 120.500 -0.071 0.000 2.092 251 R HA 0.035 4.374 4.340 -0.001 0.000 0.231 251 R C 2.583 178.828 176.300 -0.092 0.000 1.119 251 R CA 0.930 56.993 56.100 -0.061 0.000 0.970 251 R CB -0.453 29.824 30.300 -0.038 0.000 0.864 251 R HN 0.294 nan 8.270 nan 0.000 0.440 252 V N 1.358 121.195 119.914 -0.129 0.000 2.358 252 V HA -0.219 3.901 4.120 -0.001 0.000 0.246 252 V C 2.245 178.244 176.094 -0.158 0.000 1.047 252 V CA 1.385 63.606 62.300 -0.133 0.000 1.035 252 V CB -0.376 31.360 31.823 -0.145 0.000 0.658 252 V HN 0.227 nan 8.190 nan 0.000 0.452 253 I N -0.144 120.278 120.570 -0.246 0.000 2.179 253 I HA -0.261 3.908 4.170 -0.001 0.000 0.242 253 I C 2.530 178.576 176.117 -0.117 0.000 1.088 253 I CA 1.690 62.855 61.300 -0.226 0.000 1.357 253 I CB -1.281 36.506 38.000 -0.355 0.000 1.051 253 I HN 0.417 nan 8.210 nan 0.000 0.409 254 Q N 0.383 120.126 119.800 -0.094 0.000 2.124 254 Q HA -0.148 4.192 4.340 -0.001 0.000 0.202 254 Q C 2.381 178.351 176.000 -0.050 0.000 0.977 254 Q CA 1.453 57.222 55.803 -0.056 0.000 0.850 254 Q CB 0.206 28.919 28.738 -0.041 0.000 0.901 254 Q HN 0.333 nan 8.270 nan 0.000 0.429 255 V N 0.523 120.403 119.914 -0.056 0.000 2.358 255 V HA -0.254 3.865 4.120 -0.001 0.000 0.246 255 V C 2.281 178.349 176.094 -0.044 0.000 1.047 255 V CA 1.731 64.003 62.300 -0.046 0.000 1.035 255 V CB -0.945 30.850 31.823 -0.047 0.000 0.658 255 V HN 0.443 nan 8.190 nan 0.000 0.452 256 A N 0.024 122.813 122.820 -0.052 0.000 1.933 256 A HA -0.124 4.196 4.320 -0.001 0.000 0.218 256 A C 2.410 179.975 177.584 -0.031 0.000 1.175 256 A CA 2.106 54.118 52.037 -0.043 0.000 0.628 256 A CB -0.718 18.252 19.000 -0.050 0.000 0.814 256 A HN 0.567 nan 8.150 nan 0.000 0.444 257 A N -0.570 122.231 122.820 -0.033 0.000 1.898 257 A HA 0.158 4.477 4.320 -0.001 0.000 0.216 257 A C 2.393 179.964 177.584 -0.022 0.000 1.181 257 A CA 1.849 53.873 52.037 -0.023 0.000 0.620 257 A CB -1.291 17.694 19.000 -0.025 0.000 0.819 257 A HN 0.699 nan 8.150 nan 0.000 0.442 258 G N -0.959 107.826 108.800 -0.026 0.000 2.408 258 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.217 258 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.217 258 G C 1.707 176.594 174.900 -0.022 0.000 1.150 258 G CA 1.191 46.277 45.100 -0.024 0.000 0.776 258 G HN 0.485 nan 8.290 nan 0.000 0.542 259 S N 0.365 116.051 115.700 -0.024 0.000 2.481 259 S HA -0.011 4.459 4.470 -0.001 0.000 0.231 259 S C 2.331 176.918 174.600 -0.022 0.000 0.996 259 S CA 1.093 59.279 58.200 -0.023 0.000 0.942 259 S CB -0.038 63.147 63.200 -0.025 0.000 0.768 259 S HN 0.648 nan 8.310 nan 0.000 0.520 260 S N 3.279 118.967 115.700 -0.020 0.000 2.970 260 S HA 0.095 4.565 4.470 -0.001 0.000 0.165 260 S C 0.979 175.572 174.600 -0.013 0.000 0.813 260 S CA 0.156 58.345 58.200 -0.018 0.000 1.195 260 S CB -0.549 62.642 63.200 -0.014 0.000 0.633 260 S HN 0.471 nan 8.310 nan 0.000 0.543 261 N N 1.386 120.083 118.700 -0.005 0.000 2.238 261 N HA 0.236 4.976 4.740 -0.001 0.000 0.222 261 N C 0.166 175.674 175.510 -0.003 0.000 1.133 261 N CA -0.097 52.953 53.050 -0.000 0.000 0.854 261 N CB -0.585 37.909 38.487 0.012 0.000 1.041 261 N HN 0.673 nan 8.380 nan 0.000 0.510 262 L N -0.334 120.884 121.223 -0.009 0.000 3.717 262 L HA -0.278 4.062 4.340 -0.001 0.000 0.411 262 L C -0.178 176.683 176.870 -0.015 0.000 1.233 262 L CA 0.495 55.327 54.840 -0.014 0.000 0.917 262 L CB -1.674 40.377 42.059 -0.014 0.000 1.902 262 L HN 0.459 nan 8.230 nan 0.000 0.894 263 K N -0.145 120.247 120.400 -0.012 0.000 2.414 263 K HA 0.435 4.755 4.320 -0.001 0.000 0.272 263 K C 0.353 176.935 176.600 -0.030 0.000 0.993 263 K CA -0.685 55.592 56.287 -0.017 0.000 0.964 263 K CB 0.499 32.994 32.500 -0.008 0.000 0.925 263 K HN 0.004 nan 8.250 nan 0.000 0.487 264 R N 1.100 121.574 120.500 -0.044 0.000 2.590 264 R HA 0.191 4.531 4.340 -0.001 0.000 0.274 264 R C -0.550 175.712 176.300 -0.064 0.000 1.061 264 R CA -0.246 55.817 56.100 -0.061 0.000 1.081 264 R CB 0.772 31.021 30.300 -0.085 0.000 0.984 264 R HN 0.454 nan 8.270 nan 0.000 0.448 265 V N 1.616 121.496 119.914 -0.056 0.000 2.735 265 V HA 0.654 4.774 4.120 -0.001 0.000 0.310 265 V C -0.402 175.669 176.094 -0.038 0.000 1.061 265 V CA -0.817 61.460 62.300 -0.038 0.000 0.913 265 V CB 2.265 34.077 31.823 -0.019 0.000 1.005 265 V HN 0.987 nan 8.190 nan 0.000 0.428 266 T N 2.084 116.630 114.554 -0.013 0.000 2.933 266 T HA 0.850 5.200 4.350 -0.001 0.000 0.305 266 T C -1.155 173.592 174.700 0.078 0.000 1.092 266 T CA -0.681 61.421 62.100 0.005 0.000 1.008 266 T CB 1.587 70.435 68.868 -0.034 0.000 1.102 266 T HN 0.415 nan 8.240 nan 0.000 0.469 267 L N 1.608 122.887 121.223 0.093 0.000 2.401 267 L HA 0.651 4.991 4.340 -0.001 0.000 0.266 267 L C -0.524 176.422 176.870 0.126 0.000 0.991 267 L CA -0.969 53.967 54.840 0.160 0.000 0.818 267 L CB 2.407 44.578 42.059 0.186 0.000 1.321 267 L HN 0.623 nan 8.230 nan 0.000 0.413 268 E N 4.338 124.612 120.200 0.124 0.000 2.207 268 E HA 0.512 4.862 4.350 -0.001 0.000 0.250 268 E C -0.850 175.802 176.600 0.086 0.000 0.890 268 E CA -0.209 56.265 56.400 0.123 0.000 0.749 268 E CB 2.129 31.939 29.700 0.182 0.000 1.193 268 E HN 0.467 nan 8.360 nan 0.000 0.423 269 L N 0.109 121.402 121.223 0.117 0.000 2.693 269 L HA 0.637 4.977 4.340 -0.001 0.000 0.253 269 L C 1.319 178.247 176.870 0.097 0.000 1.155 269 L CA -1.083 53.828 54.840 0.119 0.000 1.026 269 L CB 0.176 42.346 42.059 0.184 0.000 1.817 269 L HN 0.403 nan 8.230 nan 0.000 0.556 270 G N -1.570 107.277 108.800 0.077 0.000 2.516 270 G HA2 0.545 4.504 3.960 -0.001 0.000 0.276 270 G HA3 0.545 4.504 3.960 -0.001 0.000 0.276 270 G C -0.498 174.225 174.900 -0.295 0.000 1.390 270 G CA 0.205 45.256 45.100 -0.081 0.000 1.050 270 G HN 0.857 nan 8.290 nan 0.000 0.519 271 G N -2.117 106.256 108.800 -0.713 0.000 2.506 271 G HA2 0.473 4.433 3.960 -0.001 0.000 0.292 271 G HA3 0.473 4.433 3.960 -0.001 0.000 0.292 271 G C -1.409 173.092 174.900 -0.664 0.000 1.425 271 G CA -0.538 44.080 45.100 -0.803 0.000 0.788 271 G HN 0.592 nan 8.290 nan 0.000 0.490 272 K N 0.624 120.868 120.400 -0.259 0.000 3.301 272 K HA 0.453 4.772 4.320 -0.001 0.000 0.170 272 K C 0.048 176.708 176.600 0.100 0.000 1.061 272 K CA -0.361 55.916 56.287 -0.018 0.000 0.807 272 K CB 0.166 32.757 32.500 0.152 0.000 0.889 272 K HN 0.442 nan 8.250 nan 0.000 0.564 273 S N 3.697 119.466 115.700 0.114 0.000 2.544 273 S HA 0.114 4.584 4.470 -0.001 0.000 0.290 273 S C -2.295 172.450 174.600 0.240 0.000 1.276 273 S CA -0.510 57.810 58.200 0.200 0.000 1.075 273 S CB 0.203 63.584 63.200 0.301 0.000 0.849 273 S HN 0.382 nan 8.310 nan 0.000 0.494 274 P HA 0.269 nan 4.420 nan 0.000 0.290 274 P C -0.948 176.569 177.300 0.363 0.000 1.276 274 P CA -0.728 62.578 63.100 0.344 0.000 0.808 274 P CB 0.686 32.593 31.700 0.344 0.000 0.966 275 N N 3.609 122.525 118.700 0.360 0.000 2.564 275 N HA 0.290 5.030 4.740 -0.001 0.000 0.248 275 N C -0.846 174.859 175.510 0.324 0.000 0.986 275 N CA -0.630 52.643 53.050 0.371 0.000 0.921 275 N CB -0.106 38.510 38.487 0.214 0.000 1.136 275 N HN 0.271 nan 8.380 nan 0.000 0.509 276 I N 4.166 124.929 120.570 0.322 0.000 2.312 276 I HA 0.276 4.445 4.170 -0.001 0.000 0.291 276 I C 0.005 176.314 176.117 0.321 0.000 1.031 276 I CA -0.555 60.896 61.300 0.253 0.000 1.293 276 I CB 0.725 38.753 38.000 0.047 0.000 1.403 276 I HN 0.267 nan 8.210 nan 0.000 0.484 277 I N 7.106 127.848 120.570 0.286 0.000 2.307 277 I HA 0.309 4.478 4.170 -0.001 0.000 0.289 277 I C 0.220 176.511 176.117 0.290 0.000 1.021 277 I CA -0.502 60.925 61.300 0.211 0.000 1.224 277 I CB 0.823 38.726 38.000 -0.162 0.000 1.376 277 I HN 0.476 nan 8.210 nan 0.000 0.470 278 M N 3.944 123.724 119.600 0.300 0.000 2.247 278 M HA 0.161 4.641 4.480 -0.001 0.000 0.326 278 M C 1.653 178.040 176.300 0.144 0.000 1.134 278 M CA -0.108 55.346 55.300 0.256 0.000 1.136 278 M CB 0.791 33.524 32.600 0.222 0.000 1.454 278 M HN 0.661 nan 8.290 nan 0.000 0.467 279 S N 0.397 116.141 115.700 0.074 0.000 2.442 279 S HA -0.161 4.308 4.470 -0.001 0.000 0.236 279 S C 0.810 175.458 174.600 0.080 0.000 1.007 279 S CA 1.377 59.606 58.200 0.049 0.000 0.965 279 S CB -0.562 62.641 63.200 0.006 0.000 0.773 279 S HN 0.748 nan 8.310 nan 0.000 0.504 280 D N 1.747 122.204 120.400 0.096 0.000 2.328 280 D HA 0.360 4.999 4.640 -0.001 0.000 0.221 280 D C 0.625 177.004 176.300 0.133 0.000 1.072 280 D CA 0.209 54.268 54.000 0.097 0.000 0.850 280 D CB -0.388 40.459 40.800 0.078 0.000 0.922 280 D HN 0.524 nan 8.370 nan 0.000 0.516 281 A N 0.500 123.427 122.820 0.177 0.000 2.406 281 A HA 0.215 4.535 4.320 -0.001 0.000 0.243 281 A C -0.096 177.631 177.584 0.239 0.000 1.082 281 A CA -0.359 51.828 52.037 0.250 0.000 0.786 281 A CB 0.059 19.262 19.000 0.338 0.000 1.029 281 A HN 0.162 nan 8.150 nan 0.000 0.495 282 D N 1.371 121.944 120.400 0.289 0.000 2.346 282 D HA 0.206 4.845 4.640 -0.001 0.000 0.260 282 D C 1.049 177.523 176.300 0.290 0.000 1.252 282 D CA -0.173 53.981 54.000 0.258 0.000 0.895 282 D CB 0.378 41.339 40.800 0.268 0.000 1.097 282 D HN 0.426 nan 8.370 nan 0.000 0.489 283 M N 3.483 123.209 119.600 0.211 0.000 2.073 283 M HA -0.176 4.304 4.480 -0.001 0.000 0.258 283 M C 1.108 177.492 176.300 0.139 0.000 1.070 283 M CA 1.838 57.249 55.300 0.186 0.000 1.103 283 M CB -0.283 32.396 32.600 0.131 0.000 1.321 283 M HN 0.452 nan 8.290 nan 0.000 0.405 284 D N -0.909 119.572 120.400 0.134 0.000 2.092 284 D HA -0.248 4.392 4.640 -0.001 0.000 0.193 284 D C 1.820 178.222 176.300 0.169 0.000 0.994 284 D CA 1.556 55.621 54.000 0.108 0.000 0.828 284 D CB -0.731 40.140 40.800 0.118 0.000 0.963 284 D HN 0.650 nan 8.370 nan 0.000 0.450 285 W N 1.611 122.951 121.300 0.066 0.000 2.355 285 W HA -0.180 4.480 4.660 -0.001 0.000 0.309 285 W C 2.157 178.743 176.519 0.112 0.000 1.206 285 W CA 1.603 59.013 57.345 0.109 0.000 1.284 285 W CB -0.101 29.461 29.460 0.170 0.000 1.145 285 W HN -0.022 nan 8.180 nan 0.000 0.502 286 A N 0.368 123.284 122.820 0.161 0.000 1.908 286 A HA -0.194 4.126 4.320 -0.001 0.000 0.218 286 A C 2.047 179.538 177.584 -0.156 0.000 1.181 286 A CA 2.263 54.217 52.037 -0.139 0.000 0.627 286 A CB -1.173 17.924 19.000 0.161 0.000 0.818 286 A HN 0.157 nan 8.150 nan 0.000 0.445 287 V N -0.164 119.670 119.914 -0.133 0.000 2.307 287 V HA -0.226 3.893 4.120 -0.001 0.000 0.245 287 V C 2.616 178.557 176.094 -0.255 0.000 1.045 287 V CA 2.428 64.489 62.300 -0.400 0.000 1.024 287 V CB -0.671 30.875 31.823 -0.460 0.000 0.651 287 V HN 0.702 nan 8.190 nan 0.000 0.449 288 E N -0.168 119.904 120.200 -0.213 0.000 2.077 288 E HA -0.203 4.147 4.350 -0.001 0.000 0.193 288 E C 2.274 178.759 176.600 -0.192 0.000 0.989 288 E CA 1.248 57.539 56.400 -0.182 0.000 0.800 288 E CB -0.201 29.393 29.700 -0.177 0.000 0.746 288 E HN 0.477 nan 8.360 nan 0.000 0.452 289 Q N -0.464 119.094 119.800 -0.404 0.000 2.172 289 Q HA 0.015 4.355 4.340 -0.001 0.000 0.200 289 Q C 2.074 177.960 176.000 -0.189 0.000 0.964 289 Q CA 1.293 56.876 55.803 -0.367 0.000 0.855 289 Q CB -0.306 28.118 28.738 -0.523 0.000 0.918 289 Q HN 0.380 nan 8.270 nan 0.000 0.444 290 A N -0.056 122.631 122.820 -0.222 0.000 1.930 290 A HA -0.211 4.109 4.320 -0.001 0.000 0.217 290 A C 1.910 179.479 177.584 -0.025 0.000 1.175 290 A CA 1.775 53.738 52.037 -0.124 0.000 0.627 290 A CB -0.699 18.367 19.000 0.110 0.000 0.815 290 A HN 0.464 nan 8.150 nan 0.000 0.443 291 H N -1.589 117.474 119.070 -0.012 0.000 2.293 291 H HA -0.146 4.409 4.556 -0.001 0.000 0.300 291 H C 1.720 177.191 175.328 0.237 0.000 1.082 291 H CA 2.225 58.378 56.048 0.175 0.000 1.308 291 H CB -0.411 29.399 29.762 0.081 0.000 1.375 291 H HN 0.447 nan 8.280 nan 0.000 0.495 292 F N 0.830 120.811 119.950 0.052 0.000 2.134 292 F HA -0.161 4.366 4.527 -0.001 0.000 0.299 292 F C 2.536 178.292 175.800 -0.073 0.000 1.097 292 F CA 1.492 59.500 58.000 0.013 0.000 1.264 292 F CB -0.730 38.240 39.000 -0.049 0.000 1.001 292 F HN 0.303 nan 8.300 nan 0.000 0.479 293 A N 0.166 122.902 122.820 -0.140 0.000 1.948 293 A HA -0.218 4.101 4.320 -0.001 0.000 0.220 293 A C 2.137 179.447 177.584 -0.456 0.000 1.177 293 A CA 2.200 53.905 52.037 -0.552 0.000 0.636 293 A CB -1.020 17.340 19.000 -1.067 0.000 0.815 293 A HN 0.606 nan 8.150 nan 0.000 0.449 294 L N -3.164 117.815 121.223 -0.405 0.000 2.349 294 L HA 0.301 4.641 4.340 -0.001 0.000 0.200 294 L C 1.913 178.464 176.870 -0.530 0.000 1.064 294 L CA 0.736 55.283 54.840 -0.488 0.000 0.821 294 L CB 0.007 41.674 42.059 -0.653 0.000 1.027 294 L HN 0.275 nan 8.230 nan 0.000 0.476 295 F N -0.606 119.141 119.950 -0.338 0.000 2.661 295 F HA 0.004 4.531 4.527 -0.001 0.000 0.298 295 F C 0.961 176.607 175.800 -0.258 0.000 1.137 295 F CA -0.021 57.783 58.000 -0.327 0.000 1.454 295 F CB -0.401 38.296 39.000 -0.505 0.000 1.103 295 F HN -0.049 nan 8.300 nan 0.000 0.577 296 F N 2.251 121.993 119.950 -0.347 0.000 2.608 296 F HA -0.041 4.486 4.527 -0.001 0.000 0.380 296 F C 1.189 176.837 175.800 -0.254 0.000 1.083 296 F CA -0.151 57.596 58.000 -0.422 0.000 1.266 296 F CB 0.107 38.604 39.000 -0.839 0.000 1.076 296 F HN 0.127 nan 8.300 nan 0.000 0.574 297 N N 3.700 121.801 118.700 -0.997 0.000 2.738 297 N HA -0.300 4.439 4.740 -0.001 0.000 0.249 297 N C -0.064 175.143 175.510 -0.505 0.000 1.047 297 N CA 1.348 53.861 53.050 -0.894 0.000 0.707 297 N CB -1.019 36.717 38.487 -1.252 0.000 0.937 297 N HN 0.800 nan 8.380 nan 0.000 0.545 298 Q N -2.034 117.591 119.800 -0.291 0.000 2.494 298 Q HA -0.165 4.175 4.340 -0.001 0.000 0.266 298 Q C 1.200 177.092 176.000 -0.181 0.000 1.053 298 Q CA 2.235 57.942 55.803 -0.160 0.000 1.029 298 Q CB -1.855 26.797 28.738 -0.145 0.000 1.423 298 Q HN 1.293 nan 8.270 nan 0.000 0.516 299 G N -0.946 107.702 108.800 -0.254 0.000 2.168 299 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.263 299 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.263 299 G C 0.160 174.760 174.900 -0.501 0.000 0.977 299 G CA 0.489 45.403 45.100 -0.310 0.000 0.659 299 G HN 0.465 nan 8.290 nan 0.000 0.533 300 Q N -0.080 119.341 119.800 -0.630 0.000 3.122 300 Q HA 0.457 4.797 4.340 -0.001 0.000 0.360 300 Q C -0.068 175.216 176.000 -1.194 0.000 1.300 300 Q CA -0.165 54.937 55.803 -1.167 0.000 0.982 300 Q CB 0.312 28.743 28.738 -0.513 0.000 1.534 300 Q HN 0.435 nan 8.270 nan 0.000 0.474 301 C N -0.494 118.288 119.300 -0.863 0.000 2.455 301 C HA 0.210 4.669 4.460 -0.001 0.000 0.320 301 C C 2.001 176.989 174.990 -0.003 0.000 1.226 301 C CA -1.137 57.757 59.018 -0.207 0.000 1.569 301 C CB 0.556 28.361 27.740 0.109 0.000 2.200 301 C HN 0.880 nan 8.230 nan 0.000 0.491 302 C N 0.034 119.507 119.300 0.288 0.000 2.422 302 C HA -0.078 4.381 4.460 -0.001 0.000 0.279 302 C C 1.943 177.137 174.990 0.340 0.000 1.305 302 C CA 1.285 60.539 59.018 0.392 0.000 1.757 302 C CB -2.154 25.798 27.740 0.354 0.000 1.962 302 C HN 0.939 nan 8.230 nan 0.000 0.499 303 C N 1.338 120.907 119.300 0.447 0.000 2.589 303 C HA 0.734 5.194 4.460 -0.001 0.000 0.307 303 C C 1.310 176.612 174.990 0.520 0.000 1.328 303 C CA -0.861 58.478 59.018 0.535 0.000 1.742 303 C CB -2.504 25.744 27.740 0.846 0.000 2.037 303 C HN 0.736 nan 8.230 nan 0.000 0.592 304 A N 1.077 124.079 122.820 0.305 0.000 2.540 304 A HA 0.460 4.779 4.320 -0.001 0.000 0.239 304 A C 1.138 178.808 177.584 0.144 0.000 1.061 304 A CA 0.784 52.919 52.037 0.164 0.000 0.758 304 A CB -0.086 18.893 19.000 -0.035 0.000 0.991 304 A HN 1.135 nan 8.150 nan 0.000 0.502 305 G N 1.689 110.459 108.800 -0.049 0.000 3.008 305 G HA2 0.323 4.282 3.960 -0.001 0.000 0.272 305 G HA3 0.323 4.282 3.960 -0.001 0.000 0.272 305 G C 0.922 175.756 174.900 -0.110 0.000 0.764 305 G CA 0.376 45.427 45.100 -0.081 0.000 2.029 305 G HN 1.151 nan 8.290 nan 0.000 0.587 306 S N 0.734 116.405 115.700 -0.048 0.000 2.607 306 S HA 0.135 4.604 4.470 -0.001 0.000 0.224 306 S C 1.010 175.562 174.600 -0.081 0.000 0.969 306 S CA -0.098 58.047 58.200 -0.092 0.000 0.927 306 S CB 0.380 63.532 63.200 -0.080 0.000 0.772 306 S HN 0.419 nan 8.310 nan 0.000 0.533 307 R N 1.656 122.128 120.500 -0.047 0.000 2.487 307 R HA 0.276 4.615 4.340 -0.001 0.000 0.288 307 R C -1.262 174.959 176.300 -0.131 0.000 1.394 307 R CA -0.088 55.929 56.100 -0.138 0.000 1.155 307 R CB 1.340 31.606 30.300 -0.058 0.000 1.156 307 R HN 0.134 nan 8.270 nan 0.000 0.553 308 T N 3.978 118.435 114.554 -0.163 0.000 2.782 308 T HA 0.257 4.606 4.350 -0.001 0.000 0.298 308 T C -0.164 174.472 174.700 -0.106 0.000 0.944 308 T CA -0.006 62.053 62.100 -0.069 0.000 1.001 308 T CB -0.156 68.702 68.868 -0.016 0.000 0.932 308 T HN 0.175 nan 8.240 nan 0.000 0.524 309 F N 2.712 122.705 119.950 0.071 0.000 2.424 309 F HA 0.431 4.957 4.527 -0.001 0.000 0.356 309 F C 0.344 176.318 175.800 0.291 0.000 1.110 309 F CA -0.702 57.413 58.000 0.193 0.000 1.161 309 F CB 0.845 39.872 39.000 0.045 0.000 1.115 309 F HN 0.185 nan 8.300 nan 0.000 0.507 310 V N 3.908 124.079 119.914 0.429 0.000 2.487 310 V HA 0.251 4.371 4.120 -0.001 0.000 0.298 310 V C -0.109 175.886 176.094 -0.166 0.000 1.028 310 V CA -1.116 61.237 62.300 0.090 0.000 0.860 310 V CB 1.519 33.200 31.823 -0.237 0.000 0.991 310 V HN 0.565 nan 8.190 nan 0.000 0.427 311 Q N 3.171 122.625 119.800 -0.576 0.000 2.330 311 Q HA 0.014 4.354 4.340 -0.001 0.000 0.279 311 Q C 1.462 177.247 176.000 -0.358 0.000 1.024 311 Q CA 0.356 55.580 55.803 -0.966 0.000 0.900 311 Q CB 1.100 29.440 28.738 -0.664 0.000 1.221 311 Q HN 1.022 nan 8.270 nan 0.000 0.396 312 E N 2.866 122.872 120.200 -0.323 0.000 2.147 312 E HA -0.278 4.071 4.350 -0.001 0.000 0.199 312 E C 0.252 176.832 176.600 -0.033 0.000 1.005 312 E CA 1.808 58.128 56.400 -0.133 0.000 0.810 312 E CB 0.034 29.646 29.700 -0.146 0.000 0.736 312 E HN 0.552 nan 8.360 nan 0.000 0.460 313 D N 1.008 121.375 120.400 -0.055 0.000 2.264 313 D HA -0.079 4.560 4.640 -0.001 0.000 0.208 313 D C 1.982 178.303 176.300 0.035 0.000 0.966 313 D CA 1.348 55.344 54.000 -0.007 0.000 0.864 313 D CB -0.026 40.764 40.800 -0.016 0.000 0.933 313 D HN 0.643 nan 8.370 nan 0.000 0.499 314 I N -3.768 116.829 120.570 0.046 0.000 4.154 314 I HA 0.179 4.349 4.170 -0.001 0.000 0.334 314 I C 1.796 177.999 176.117 0.144 0.000 1.371 314 I CA -0.552 60.802 61.300 0.090 0.000 1.110 314 I CB -0.083 37.969 38.000 0.088 0.000 1.085 314 I HN -0.252 nan 8.210 nan 0.000 0.398 315 Y N 2.956 123.261 120.300 0.008 0.000 2.053 315 Y HA -0.313 4.237 4.550 -0.001 0.000 0.277 315 Y C 2.081 178.045 175.900 0.106 0.000 1.159 315 Y CA 2.373 60.497 58.100 0.041 0.000 1.125 315 Y CB -0.135 38.320 38.460 -0.008 0.000 0.969 315 Y HN 0.192 nan 8.280 nan 0.000 0.492 316 D N 0.037 120.586 120.400 0.247 0.000 2.106 316 D HA -0.234 4.406 4.640 -0.001 0.000 0.191 316 D C 2.120 178.443 176.300 0.039 0.000 0.997 316 D CA 1.859 55.942 54.000 0.139 0.000 0.834 316 D CB -0.495 40.394 40.800 0.149 0.000 0.956 316 D HN 0.635 nan 8.370 nan 0.000 0.448 317 E N -0.662 119.575 120.200 0.063 0.000 2.072 317 E HA -0.175 4.174 4.350 -0.001 0.000 0.191 317 E C 2.092 178.703 176.600 0.019 0.000 0.985 317 E CA 0.484 56.907 56.400 0.038 0.000 0.801 317 E CB -0.237 29.497 29.700 0.057 0.000 0.750 317 E HN 0.238 nan 8.360 nan 0.000 0.452 318 F N 0.698 120.594 119.950 -0.090 0.000 2.102 318 F HA -0.213 4.314 4.527 -0.001 0.000 0.298 318 F C 2.062 177.764 175.800 -0.163 0.000 1.105 318 F CA 1.344 59.276 58.000 -0.114 0.000 1.239 318 F CB -0.178 38.753 39.000 -0.115 0.000 0.991 318 F HN -0.106 nan 8.300 nan 0.000 0.474 319 V N 0.398 120.285 119.914 -0.046 0.000 2.295 319 V HA -0.303 3.817 4.120 -0.001 0.000 0.246 319 V C 2.258 178.272 176.094 -0.133 0.000 1.049 319 V CA 2.292 64.506 62.300 -0.144 0.000 1.024 319 V CB -0.713 30.927 31.823 -0.305 0.000 0.648 319 V HN 0.347 nan 8.190 nan 0.000 0.447 320 E N -0.105 120.033 120.200 -0.103 0.000 2.049 320 E HA -0.277 4.072 4.350 -0.001 0.000 0.198 320 E C 2.486 179.012 176.600 -0.124 0.000 1.007 320 E CA 1.741 58.090 56.400 -0.085 0.000 0.809 320 E CB -0.195 29.472 29.700 -0.055 0.000 0.749 320 E HN 0.532 nan 8.360 nan 0.000 0.450 321 R N 0.187 120.584 120.500 -0.172 0.000 2.081 321 R HA -0.073 4.267 4.340 -0.001 0.000 0.235 321 R C 2.601 178.747 176.300 -0.256 0.000 1.131 321 R CA 1.338 57.310 56.100 -0.213 0.000 0.960 321 R CB -0.199 29.951 30.300 -0.251 0.000 0.856 321 R HN 0.010 nan 8.270 nan 0.000 0.436 322 S N 0.347 115.850 115.700 -0.327 0.000 2.368 322 S HA -0.107 4.363 4.470 -0.001 0.000 0.225 322 S C 2.115 176.647 174.600 -0.115 0.000 1.030 322 S CA 1.301 59.350 58.200 -0.251 0.000 0.999 322 S CB -0.147 62.903 63.200 -0.251 0.000 0.844 322 S HN 0.076 nan 8.310 nan 0.000 0.459 323 V N 2.027 121.879 119.914 -0.103 0.000 2.343 323 V HA -0.196 3.924 4.120 -0.001 0.000 0.247 323 V C 2.649 178.685 176.094 -0.097 0.000 1.051 323 V CA 1.686 63.942 62.300 -0.073 0.000 1.036 323 V CB -1.258 30.528 31.823 -0.062 0.000 0.654 323 V HN 0.538 nan 8.190 nan 0.000 0.451 324 A N 0.379 123.130 122.820 -0.115 0.000 1.902 324 A HA -0.263 4.057 4.320 -0.001 0.000 0.217 324 A C 2.317 179.805 177.584 -0.159 0.000 1.181 324 A CA 2.218 54.182 52.037 -0.120 0.000 0.623 324 A CB -0.534 18.398 19.000 -0.114 0.000 0.818 324 A HN 0.453 nan 8.150 nan 0.000 0.443 325 R N 0.194 120.569 120.500 -0.208 0.000 2.081 325 R HA 0.004 4.344 4.340 -0.001 0.000 0.235 325 R C 2.141 178.224 176.300 -0.363 0.000 1.131 325 R CA 1.943 57.846 56.100 -0.329 0.000 0.960 325 R CB -0.953 29.090 30.300 -0.428 0.000 0.856 325 R HN 0.387 nan 8.270 nan 0.000 0.436 326 A N 0.645 123.332 122.820 -0.221 0.000 1.902 326 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 326 A C 2.003 179.472 177.584 -0.191 0.000 1.181 326 A CA 1.667 53.580 52.037 -0.208 0.000 0.623 326 A CB -0.407 18.520 19.000 -0.123 0.000 0.818 326 A HN 0.377 nan 8.150 nan 0.000 0.443 327 K N 0.298 120.613 120.400 -0.143 0.000 2.211 327 K HA -0.095 4.224 4.320 -0.001 0.000 0.203 327 K C 2.133 178.665 176.600 -0.112 0.000 1.050 327 K CA 1.448 57.669 56.287 -0.112 0.000 0.945 327 K CB -0.126 32.320 32.500 -0.089 0.000 0.732 327 K HN 0.667 nan 8.250 nan 0.000 0.451 328 S N 0.534 116.153 115.700 -0.136 0.000 2.527 328 S HA -0.026 4.443 4.470 -0.001 0.000 0.222 328 S C 0.876 175.406 174.600 -0.117 0.000 0.985 328 S CA -0.227 57.901 58.200 -0.120 0.000 0.921 328 S CB -0.068 63.054 63.200 -0.129 0.000 0.772 328 S HN 0.136 nan 8.310 nan 0.000 0.529 329 R N 2.102 122.517 120.500 -0.141 0.000 2.446 329 R HA 0.183 4.523 4.340 -0.001 0.000 0.325 329 R C -0.968 175.293 176.300 -0.066 0.000 0.997 329 R CA -0.107 55.930 56.100 -0.105 0.000 1.010 329 R CB 0.071 30.290 30.300 -0.135 0.000 0.946 329 R HN 0.181 nan 8.270 nan 0.000 0.422 330 V N 6.428 126.320 119.914 -0.036 0.000 2.439 330 V HA 0.074 4.194 4.120 -0.001 0.000 0.271 330 V C 0.279 176.374 176.094 0.000 0.000 1.040 330 V CA -0.195 62.092 62.300 -0.023 0.000 1.002 330 V CB 1.032 32.847 31.823 -0.014 0.000 1.000 330 V HN 0.449 nan 8.190 nan 0.000 0.477 331 V N 4.826 124.735 119.914 -0.007 0.000 2.483 331 V HA 1.009 5.129 4.120 -0.001 0.000 0.295 331 V C 0.686 176.751 176.094 -0.047 0.000 1.035 331 V CA 0.564 62.882 62.300 0.031 0.000 0.896 331 V CB 1.120 32.975 31.823 0.053 0.000 0.986 331 V HN 1.160 nan 8.190 nan 0.000 0.447 332 G N 3.162 111.957 108.800 -0.009 0.000 2.344 332 G HA2 0.110 4.069 3.960 -0.001 0.000 0.282 332 G HA3 0.110 4.069 3.960 -0.001 0.000 0.282 332 G C -1.004 173.932 174.900 0.060 0.000 1.281 332 G CA -0.854 44.148 45.100 -0.163 0.000 0.877 332 G HN 0.640 nan 8.290 nan 0.000 0.494 333 N N 2.091 120.800 118.700 0.015 0.000 2.417 333 N HA 0.149 4.889 4.740 -0.001 0.000 0.272 333 N C -0.447 175.139 175.510 0.126 0.000 1.304 333 N CA -1.013 52.114 53.050 0.128 0.000 0.906 333 N CB 1.261 39.804 38.487 0.092 0.000 1.135 333 N HN 0.170 nan 8.380 nan 0.000 0.483 334 P HA -0.164 nan 4.420 nan 0.000 0.221 334 P C 0.805 178.055 177.300 -0.083 0.000 1.145 334 P CA 1.302 64.376 63.100 -0.044 0.000 0.795 334 P CB -0.059 31.531 31.700 -0.182 0.000 0.775 335 F N -0.361 119.634 119.950 0.076 0.000 2.811 335 F HA 0.085 4.612 4.527 -0.000 0.000 0.301 335 F C 1.317 177.138 175.800 0.035 0.000 1.151 335 F CA 0.053 58.076 58.000 0.039 0.000 1.412 335 F CB -0.082 38.888 39.000 -0.050 0.000 1.113 335 F HN -0.131 nan 8.300 nan 0.000 0.579 336 D N 0.147 120.657 120.400 0.184 0.000 2.277 336 D HA 0.017 4.657 4.640 -0.001 0.000 0.249 336 D C 1.143 177.510 176.300 0.111 0.000 1.134 336 D CA 0.167 54.238 54.000 0.117 0.000 0.863 336 D CB 1.505 42.349 40.800 0.073 0.000 1.143 336 D HN 0.120 nan 8.370 nan 0.000 0.458 337 S N 3.597 119.359 115.700 0.103 0.000 2.469 337 S HA -0.117 4.352 4.470 -0.001 0.000 0.238 337 S C 1.341 175.983 174.600 0.070 0.000 0.998 337 S CA 0.608 58.867 58.200 0.099 0.000 0.957 337 S CB 0.120 63.373 63.200 0.088 0.000 0.764 337 S HN 0.433 nan 8.310 nan 0.000 0.514 338 K N 1.219 121.651 120.400 0.053 0.000 2.243 338 K HA 0.097 4.417 4.320 -0.001 0.000 0.201 338 K C 0.306 176.928 176.600 0.037 0.000 1.051 338 K CA 0.425 56.733 56.287 0.035 0.000 0.970 338 K CB -0.563 31.948 32.500 0.018 0.000 0.755 338 K HN 0.352 nan 8.250 nan 0.000 0.465 339 T N 2.503 117.086 114.554 0.047 0.000 2.829 339 T HA 0.033 4.382 4.350 -0.001 0.000 0.293 339 T C 1.031 175.767 174.700 0.059 0.000 0.970 339 T CA 0.368 62.498 62.100 0.050 0.000 1.168 339 T CB 0.861 69.767 68.868 0.063 0.000 0.911 339 T HN 0.179 nan 8.240 nan 0.000 0.535 340 E N 1.722 121.955 120.200 0.056 0.000 2.307 340 E HA 0.053 4.403 4.350 -0.001 0.000 0.195 340 E C 0.803 177.443 176.600 0.067 0.000 0.975 340 E CA 0.181 56.625 56.400 0.073 0.000 0.878 340 E CB 0.570 30.312 29.700 0.071 0.000 0.845 340 E HN 0.561 nan 8.360 nan 0.000 0.488 341 Q N 0.308 120.146 119.800 0.063 0.000 2.292 341 Q HA 0.423 4.763 4.340 -0.001 0.000 0.270 341 Q C -0.581 175.493 176.000 0.123 0.000 1.024 341 Q CA -0.615 55.228 55.803 0.066 0.000 0.768 341 Q CB 1.741 30.519 28.738 0.066 0.000 1.250 341 Q HN 0.137 nan 8.270 nan 0.000 0.447 342 G N 3.184 112.021 108.800 0.061 0.000 2.543 342 G HA2 0.589 4.549 3.960 -0.001 0.000 0.267 342 G HA3 0.589 4.549 3.960 -0.001 0.000 0.267 342 G C -2.529 172.304 174.900 -0.111 0.000 1.406 342 G CA -0.978 44.163 45.100 0.069 0.000 1.048 342 G HN 0.552 nan 8.290 nan 0.000 0.548 343 P HA 0.222 nan 4.420 nan 0.000 0.279 343 P C -0.841 176.271 177.300 -0.313 0.000 1.276 343 P CA -0.442 62.179 63.100 -0.798 0.000 0.801 343 P CB 1.048 31.982 31.700 -1.276 0.000 1.127 344 Q N -0.120 119.583 119.800 -0.161 0.000 2.382 344 Q HA 0.075 4.415 4.340 -0.001 0.000 0.229 344 Q C 1.352 177.235 176.000 -0.195 0.000 1.006 344 Q CA -0.420 55.326 55.803 -0.095 0.000 0.916 344 Q CB 0.326 29.087 28.738 0.038 0.000 1.235 344 Q HN 0.187 nan 8.270 nan 0.000 0.512 345 V N 0.631 120.345 119.914 -0.333 0.000 2.392 345 V HA -0.223 3.896 4.120 -0.001 0.000 0.249 345 V C 0.376 176.177 176.094 -0.489 0.000 1.059 345 V CA 2.708 64.713 62.300 -0.491 0.000 1.051 345 V CB -0.095 31.126 31.823 -1.003 0.000 0.658 345 V HN 0.984 nan 8.190 nan 0.000 0.455 346 D N -3.626 116.399 120.400 -0.625 0.000 2.779 346 D HA 0.096 4.736 4.640 -0.001 0.000 0.331 346 D C 0.675 176.258 176.300 -1.194 0.000 1.331 346 D CA -0.073 53.410 54.000 -0.861 0.000 0.866 346 D CB 0.633 41.092 40.800 -0.569 0.000 1.409 346 D HN -0.031 nan 8.370 nan 0.000 0.486 347 E N -0.619 118.860 120.200 -1.202 0.000 2.072 347 E HA -0.138 4.211 4.350 -0.001 0.000 0.191 347 E C 1.272 177.728 176.600 -0.240 0.000 0.985 347 E CA 1.792 57.771 56.400 -0.701 0.000 0.801 347 E CB -0.065 29.458 29.700 -0.296 0.000 0.750 347 E HN 0.513 nan 8.360 nan 0.000 0.452 348 T N 0.687 115.096 114.554 -0.241 0.000 2.652 348 T HA -0.216 4.134 4.350 -0.001 0.000 0.267 348 T C 1.825 176.470 174.700 -0.091 0.000 1.039 348 T CA 1.597 63.616 62.100 -0.135 0.000 1.153 348 T CB -0.268 68.515 68.868 -0.141 0.000 0.863 348 T HN 0.095 nan 8.240 nan 0.000 0.428 349 Q N 0.074 119.790 119.800 -0.139 0.000 2.079 349 Q HA 0.025 4.365 4.340 -0.001 0.000 0.200 349 Q C 1.854 177.871 176.000 0.029 0.000 0.974 349 Q CA 1.196 56.973 55.803 -0.043 0.000 0.840 349 Q CB -0.734 27.924 28.738 -0.134 0.000 0.898 349 Q HN 0.561 nan 8.270 nan 0.000 0.430 350 F N 0.862 120.703 119.950 -0.183 0.000 2.091 350 F HA -0.235 4.292 4.527 -0.000 0.000 0.299 350 F C 1.674 177.462 175.800 -0.020 0.000 1.103 350 F CA 1.801 59.751 58.000 -0.085 0.000 1.228 350 F CB -0.016 38.921 39.000 -0.106 0.000 0.984 350 F HN 0.012 nan 8.300 nan 0.000 0.477 351 K N -0.042 120.355 120.400 -0.004 0.000 2.155 351 K HA -0.112 4.208 4.320 -0.001 0.000 0.203 351 K C 2.136 178.671 176.600 -0.107 0.000 1.052 351 K CA 1.090 57.322 56.287 -0.091 0.000 0.948 351 K CB -0.149 32.350 32.500 -0.001 0.000 0.728 351 K HN 0.190 nan 8.250 nan 0.000 0.448 352 K N 0.810 121.175 120.400 -0.058 0.000 2.057 352 K HA -0.084 4.235 4.320 -0.001 0.000 0.207 352 K C 2.014 178.617 176.600 0.005 0.000 1.049 352 K CA 1.268 57.520 56.287 -0.058 0.000 0.931 352 K CB -0.084 32.440 32.500 0.040 0.000 0.714 352 K HN 0.090 nan 8.250 nan 0.000 0.440 353 I N 1.088 121.701 120.570 0.070 0.000 2.226 353 I HA -0.291 3.878 4.170 -0.001 0.000 0.245 353 I C 2.134 178.279 176.117 0.046 0.000 1.100 353 I CA 1.122 62.501 61.300 0.132 0.000 1.374 353 I CB -0.217 37.830 38.000 0.078 0.000 1.057 353 I HN 0.124 nan 8.210 nan 0.000 0.413 354 L N 0.411 121.565 121.223 -0.115 0.000 2.131 354 L HA -0.128 4.211 4.340 -0.001 0.000 0.210 354 L C 2.653 179.488 176.870 -0.058 0.000 1.092 354 L CA 1.434 56.196 54.840 -0.130 0.000 0.759 354 L CB -1.058 40.837 42.059 -0.274 0.000 0.903 354 L HN 0.333 nan 8.230 nan 0.000 0.435 355 G N -1.127 107.615 108.800 -0.095 0.000 2.402 355 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.216 355 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.216 355 G C 1.397 176.239 174.900 -0.096 0.000 1.162 355 G CA 0.468 45.489 45.100 -0.132 0.000 0.777 355 G HN 0.298 nan 8.290 nan 0.000 0.539 356 Y N 0.408 120.708 120.300 -0.001 0.000 2.242 356 Y HA 0.002 4.552 4.550 -0.001 0.000 0.291 356 Y C 2.764 178.681 175.900 0.029 0.000 1.137 356 Y CA 0.524 58.628 58.100 0.007 0.000 1.181 356 Y CB -0.021 38.452 38.460 0.022 0.000 0.989 356 Y HN 0.112 nan 8.280 nan 0.000 0.527 357 I N -0.047 120.667 120.570 0.240 0.000 2.286 357 I HA -0.328 3.841 4.170 -0.001 0.000 0.248 357 I C 2.142 178.399 176.117 0.233 0.000 1.115 357 I CA 1.558 63.042 61.300 0.307 0.000 1.392 357 I CB -0.364 37.773 38.000 0.228 0.000 1.065 357 I HN 0.282 nan 8.210 nan 0.000 0.418 358 N N 0.491 119.260 118.700 0.114 0.000 2.120 358 N HA -0.167 4.573 4.740 -0.001 0.000 0.188 358 N C 1.707 177.242 175.510 0.042 0.000 1.024 358 N CA 1.947 55.039 53.050 0.069 0.000 0.852 358 N CB -0.062 38.436 38.487 0.018 0.000 1.003 358 N HN 0.136 nan 8.380 nan 0.000 0.424 359 T N -1.219 113.348 114.554 0.022 0.000 2.788 359 T HA -0.045 4.305 4.350 -0.001 0.000 0.268 359 T C 1.740 176.397 174.700 -0.072 0.000 1.044 359 T CA 1.276 63.373 62.100 -0.006 0.000 1.139 359 T CB -0.883 68.004 68.868 0.033 0.000 0.867 359 T HN 0.470 nan 8.240 nan 0.000 0.454 360 G N 1.686 110.387 108.800 -0.166 0.000 2.418 360 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.217 360 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.217 360 G C 1.615 176.325 174.900 -0.316 0.000 1.158 360 G CA 0.570 45.340 45.100 -0.550 0.000 0.771 360 G HN 0.432 nan 8.290 nan 0.000 0.545 361 K N -0.201 120.196 120.400 -0.005 0.000 2.057 361 K HA -0.039 4.281 4.320 -0.001 0.000 0.206 361 K C 2.700 179.324 176.600 0.041 0.000 1.050 361 K CA 0.961 57.319 56.287 0.118 0.000 0.935 361 K CB -0.153 32.446 32.500 0.165 0.000 0.715 361 K HN 0.151 nan 8.250 nan 0.000 0.439 362 Q N 1.107 120.914 119.800 0.013 0.000 2.084 362 Q HA -0.160 4.179 4.340 -0.001 0.000 0.202 362 Q C 1.523 177.518 176.000 -0.009 0.000 0.978 362 Q CA 1.511 57.316 55.803 0.004 0.000 0.844 362 Q CB -0.068 28.669 28.738 -0.002 0.000 0.898 362 Q HN 0.446 nan 8.270 nan 0.000 0.426 363 E N -0.826 119.353 120.200 -0.035 0.000 2.511 363 E HA 0.082 4.431 4.350 -0.001 0.000 0.196 363 E C 0.631 177.212 176.600 -0.032 0.000 1.066 363 E CA 0.346 56.723 56.400 -0.038 0.000 0.871 363 E CB 0.140 29.806 29.700 -0.057 0.000 0.863 363 E HN 0.515 nan 8.360 nan 0.000 0.520 364 G N 1.002 109.791 108.800 -0.018 0.000 2.141 364 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.231 364 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.231 364 G C 0.293 175.204 174.900 0.017 0.000 0.984 364 G CA -0.046 45.059 45.100 0.008 0.000 0.660 364 G HN 0.440 nan 8.290 nan 0.000 0.525 365 A N 0.098 122.901 122.820 -0.029 0.000 2.401 365 A HA 0.616 4.935 4.320 -0.001 0.000 0.259 365 A C 0.683 178.404 177.584 0.228 0.000 1.103 365 A CA 0.437 52.479 52.037 0.009 0.000 0.789 365 A CB 0.422 19.253 19.000 -0.282 0.000 1.035 365 A HN 0.548 nan 8.150 nan 0.000 0.491 366 K N 2.655 123.211 120.400 0.259 0.000 2.315 366 K HA 0.206 4.526 4.320 -0.001 0.000 0.291 366 K C -0.602 176.174 176.600 0.293 0.000 1.074 366 K CA -0.387 56.049 56.287 0.247 0.000 0.936 366 K CB -0.043 32.557 32.500 0.168 0.000 1.049 366 K HN 0.592 nan 8.250 nan 0.000 0.471 367 L N 6.189 127.548 121.223 0.226 0.000 2.433 367 L HA 0.053 4.392 4.340 -0.001 0.000 0.275 367 L C 0.254 177.080 176.870 -0.073 0.000 1.128 367 L CA 0.630 55.414 54.840 -0.093 0.000 0.875 367 L CB 0.444 42.449 42.059 -0.090 0.000 1.171 367 L HN 0.787 nan 8.230 nan 0.000 0.463 368 L N 4.837 125.987 121.223 -0.122 0.000 2.515 368 L HA 0.229 4.569 4.340 -0.001 0.000 0.223 368 L C 0.314 177.136 176.870 -0.080 0.000 1.079 368 L CA 0.205 55.008 54.840 -0.061 0.000 0.857 368 L CB 0.101 42.145 42.059 -0.026 0.000 1.050 368 L HN 0.848 nan 8.230 nan 0.000 0.476 369 C N -3.416 115.807 119.300 -0.129 0.000 3.253 369 C HA 0.723 5.183 4.460 -0.001 0.000 0.342 369 C C 0.676 175.590 174.990 -0.126 0.000 1.306 369 C CA -0.649 58.308 59.018 -0.102 0.000 1.207 369 C CB 0.802 28.498 27.740 -0.073 0.000 1.479 369 C HN 0.613 nan 8.230 nan 0.000 0.469 370 G N 0.893 109.642 108.800 -0.084 0.000 2.550 370 G HA2 0.355 4.315 3.960 -0.001 0.000 0.277 370 G HA3 0.355 4.315 3.960 -0.001 0.000 0.277 370 G C 1.356 176.207 174.900 -0.081 0.000 1.190 370 G CA 2.442 47.503 45.100 -0.065 0.000 0.971 370 G HN 3.325 nan 8.290 nan 0.000 0.559 371 G N -2.145 106.610 108.800 -0.074 0.000 2.195 371 G HA2 0.434 4.394 3.960 -0.001 0.000 0.224 371 G HA3 0.434 4.394 3.960 -0.001 0.000 0.224 371 G C 1.481 176.377 174.900 -0.006 0.000 0.990 371 G CA 0.983 46.048 45.100 -0.058 0.000 0.639 371 G HN 2.600 nan 8.290 nan 0.000 0.514 372 G N -0.949 107.853 108.800 0.003 0.000 2.911 372 G HA2 0.672 4.631 3.960 -0.001 0.000 0.299 372 G HA3 0.672 4.631 3.960 -0.001 0.000 0.299 372 G C -0.331 174.597 174.900 0.047 0.000 1.283 372 G CA -0.593 44.515 45.100 0.014 0.000 0.805 372 G HN 0.642 nan 8.290 nan 0.000 0.548 373 I N 1.127 121.746 120.570 0.081 0.000 2.696 373 I HA 0.318 4.487 4.170 -0.001 0.000 0.284 373 I C 1.353 177.560 176.117 0.150 0.000 1.129 373 I CA 0.017 61.430 61.300 0.187 0.000 1.410 373 I CB 1.678 39.831 38.000 0.254 0.000 1.399 373 I HN 0.536 nan 8.210 nan 0.000 0.579 374 A N 4.530 127.468 122.820 0.196 0.000 2.343 374 A HA 0.705 5.025 4.320 -0.001 0.000 0.223 374 A C 0.642 178.240 177.584 0.025 0.000 1.214 374 A CA 0.455 52.557 52.037 0.107 0.000 0.900 374 A CB 0.155 19.235 19.000 0.133 0.000 0.942 374 A HN 0.815 nan 8.150 nan 0.000 0.507 375 A N -0.990 121.869 122.820 0.064 0.000 2.610 375 A HA 0.551 4.871 4.320 -0.001 0.000 0.291 375 A C -0.814 176.784 177.584 0.024 0.000 1.086 375 A CA -0.272 51.741 52.037 -0.039 0.000 0.677 375 A CB 0.359 19.215 19.000 -0.239 0.000 1.278 375 A HN -0.047 nan 8.150 nan 0.000 0.414 376 D N -0.148 120.240 120.400 -0.020 0.000 2.348 376 D HA 0.085 4.725 4.640 -0.001 0.000 0.211 376 D C 0.517 176.798 176.300 -0.032 0.000 0.998 376 D CA 0.933 54.927 54.000 -0.009 0.000 0.873 376 D CB 0.387 41.174 40.800 -0.021 0.000 0.925 376 D HN 0.458 nan 8.370 nan 0.000 0.524 377 R N -0.237 120.238 120.500 -0.040 0.000 2.621 377 R HA 0.487 4.827 4.340 -0.001 0.000 0.284 377 R C -0.498 175.801 176.300 -0.002 0.000 0.998 377 R CA -0.181 55.876 56.100 -0.070 0.000 0.895 377 R CB 1.768 32.030 30.300 -0.064 0.000 1.195 377 R HN 0.051 nan 8.270 nan 0.000 0.450 378 G N 2.085 110.756 108.800 -0.215 0.000 2.690 378 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.686 378 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.686 378 G C -0.950 173.616 174.900 -0.557 0.000 1.277 378 G CA -0.608 44.295 45.100 -0.327 0.000 0.799 378 G HN 0.624 nan 8.290 nan 0.000 0.613 379 Y N 0.059 120.037 120.300 -0.536 0.000 3.040 379 Y HA 0.439 4.989 4.550 -0.001 0.000 0.392 379 Y C 0.948 176.676 175.900 -0.287 0.000 1.105 379 Y CA -0.472 57.190 58.100 -0.730 0.000 1.950 379 Y CB -0.309 37.806 38.460 -0.575 0.000 2.014 379 Y HN 0.341 nan 8.280 nan 0.000 0.433 380 F N 1.316 121.312 119.950 0.076 0.000 2.410 380 F HA 0.428 4.954 4.527 -0.001 0.000 0.348 380 F C 0.267 176.251 175.800 0.306 0.000 1.106 380 F CA -0.680 57.419 58.000 0.165 0.000 1.163 380 F CB 0.603 39.636 39.000 0.054 0.000 1.129 380 F HN -0.003 nan 8.300 nan 0.000 0.516 381 I N 2.674 123.474 120.570 0.384 0.000 2.545 381 I HA 0.233 4.402 4.170 -0.001 0.000 0.292 381 I C -0.521 175.702 176.117 0.177 0.000 1.040 381 I CA -1.027 60.424 61.300 0.252 0.000 1.068 381 I CB 2.026 40.126 38.000 0.166 0.000 1.251 381 I HN 0.517 nan 8.210 nan 0.000 0.424 382 Q N 5.744 125.615 119.800 0.119 0.000 2.364 382 Q HA 0.168 4.508 4.340 -0.001 0.000 0.267 382 Q C -2.304 173.739 176.000 0.072 0.000 0.999 382 Q CA -1.508 54.337 55.803 0.071 0.000 0.886 382 Q CB 0.154 28.911 28.738 0.032 0.000 1.243 382 Q HN 0.242 nan 8.270 nan 0.000 0.415 383 P HA -0.023 nan 4.420 nan 0.000 0.265 383 P C -1.127 176.229 177.300 0.093 0.000 1.222 383 P CA 0.484 63.613 63.100 0.050 0.000 0.767 383 P CB 0.550 32.095 31.700 -0.259 0.000 0.801 384 T N 2.993 117.673 114.554 0.209 0.000 2.824 384 T HA 0.480 4.830 4.350 -0.001 0.000 0.280 384 T C -0.244 174.491 174.700 0.059 0.000 0.995 384 T CA -0.443 61.679 62.100 0.035 0.000 1.009 384 T CB 1.035 69.870 68.868 -0.055 0.000 0.955 384 T HN -0.057 nan 8.240 nan 0.000 0.452 385 V N 3.566 123.419 119.914 -0.102 0.000 2.531 385 V HA 0.517 4.637 4.120 -0.001 0.000 0.301 385 V C -1.098 174.882 176.094 -0.190 0.000 1.034 385 V CA -0.885 61.390 62.300 -0.043 0.000 0.865 385 V CB 1.327 33.179 31.823 0.049 0.000 0.995 385 V HN 0.839 nan 8.190 nan 0.000 0.424 386 F N 2.387 122.363 119.950 0.044 0.000 2.458 386 F HA 0.789 5.316 4.527 -0.001 0.000 0.336 386 F C 0.869 176.698 175.800 0.050 0.000 1.114 386 F CA -0.323 57.701 58.000 0.040 0.000 0.987 386 F CB 2.196 41.211 39.000 0.025 0.000 1.130 386 F HN 0.600 nan 8.300 nan 0.000 0.458 387 G N 0.634 109.598 108.800 0.274 0.000 2.537 387 G HA2 0.379 4.339 3.960 -0.001 0.000 0.323 387 G HA3 0.379 4.339 3.960 -0.001 0.000 0.323 387 G C -0.597 174.449 174.900 0.242 0.000 1.207 387 G CA -0.668 44.577 45.100 0.241 0.000 0.976 387 G HN 0.730 nan 8.290 nan 0.000 0.487 388 D N -1.247 119.323 120.400 0.284 0.000 2.837 388 D HA -0.167 4.473 4.640 -0.001 0.000 0.230 388 D C 0.569 176.919 176.300 0.083 0.000 1.152 388 D CA 0.648 54.737 54.000 0.148 0.000 0.736 388 D CB -1.181 39.687 40.800 0.112 0.000 1.084 388 D HN 0.207 nan 8.370 nan 0.000 0.429 389 V N 0.912 120.873 119.914 0.079 0.000 2.715 389 V HA 0.015 4.135 4.120 -0.001 0.000 0.299 389 V C 0.894 176.985 176.094 -0.006 0.000 1.054 389 V CA 0.296 62.603 62.300 0.010 0.000 1.077 389 V CB 1.644 33.455 31.823 -0.020 0.000 0.972 389 V HN 0.053 nan 8.190 nan 0.000 0.484 390 Q N 2.107 121.900 119.800 -0.012 0.000 2.248 390 Q HA 0.334 4.674 4.340 -0.001 0.000 0.263 390 Q C 0.468 176.474 176.000 0.009 0.000 1.007 390 Q CA -0.767 55.041 55.803 0.008 0.000 0.877 390 Q CB 1.417 30.162 28.738 0.011 0.000 1.315 390 Q HN 0.659 nan 8.270 nan 0.000 0.454 391 D N 1.059 121.487 120.400 0.046 0.000 2.182 391 D HA -0.116 4.524 4.640 -0.001 0.000 0.201 391 D C 1.492 177.815 176.300 0.039 0.000 0.986 391 D CA 1.605 55.644 54.000 0.064 0.000 0.847 391 D CB -0.094 40.770 40.800 0.107 0.000 0.942 391 D HN 0.824 nan 8.370 nan 0.000 0.467 392 G N -0.184 108.632 108.800 0.027 0.000 2.744 392 G HA2 -0.036 3.924 3.960 -0.001 0.000 0.211 392 G HA3 -0.036 3.924 3.960 -0.001 0.000 0.211 392 G C 0.755 175.659 174.900 0.006 0.000 1.143 392 G CA -0.155 44.956 45.100 0.018 0.000 0.788 392 G HN 0.168 nan 8.290 nan 0.000 0.534 393 M N 0.613 120.207 119.600 -0.008 0.000 2.243 393 M HA 0.135 4.615 4.480 -0.001 0.000 0.341 393 M C 1.817 178.104 176.300 -0.021 0.000 1.130 393 M CA -0.108 55.174 55.300 -0.029 0.000 1.162 393 M CB 1.044 33.604 32.600 -0.066 0.000 1.497 393 M HN -0.067 nan 8.290 nan 0.000 0.456 394 T N 2.521 117.069 114.554 -0.010 0.000 2.759 394 T HA -0.124 4.225 4.350 -0.001 0.000 0.269 394 T C 1.508 176.206 174.700 -0.002 0.000 1.042 394 T CA 1.630 63.748 62.100 0.030 0.000 1.140 394 T CB -0.454 68.462 68.868 0.079 0.000 0.864 394 T HN 0.761 nan 8.240 nan 0.000 0.455 395 I N -0.557 119.974 120.570 -0.064 0.000 3.176 395 I HA 0.219 4.388 4.170 -0.001 0.000 0.275 395 I C 2.179 178.227 176.117 -0.114 0.000 1.298 395 I CA 0.747 61.969 61.300 -0.131 0.000 1.445 395 I CB -0.370 37.505 38.000 -0.208 0.000 1.075 395 I HN 0.080 nan 8.210 nan 0.000 0.482 396 A N 0.930 123.706 122.820 -0.072 0.000 2.267 396 A HA 0.216 4.535 4.320 -0.001 0.000 0.213 396 A C 2.109 179.697 177.584 0.006 0.000 1.192 396 A CA 0.094 52.103 52.037 -0.047 0.000 0.851 396 A CB -0.006 18.969 19.000 -0.041 0.000 0.881 396 A HN 0.413 nan 8.150 nan 0.000 0.494 397 K N -0.239 120.170 120.400 0.015 0.000 2.325 397 K HA 0.158 4.478 4.320 -0.001 0.000 0.203 397 K C -0.116 176.551 176.600 0.112 0.000 1.128 397 K CA 0.248 56.576 56.287 0.069 0.000 0.931 397 K CB 0.441 32.975 32.500 0.057 0.000 1.125 397 K HN 0.399 nan 8.250 nan 0.000 0.487 398 E N 1.987 122.213 120.200 0.042 0.000 2.266 398 E HA 0.069 4.418 4.350 -0.001 0.000 0.277 398 E C -0.911 175.611 176.600 -0.131 0.000 1.018 398 E CA -0.293 56.130 56.400 0.038 0.000 0.840 398 E CB 1.508 31.252 29.700 0.074 0.000 1.082 398 E HN 0.080 nan 8.360 nan 0.000 0.395 399 E N 3.195 123.366 120.200 -0.049 0.000 2.328 399 E HA -0.025 4.325 4.350 -0.001 0.000 0.265 399 E C 0.276 176.757 176.600 -0.198 0.000 1.057 399 E CA 0.002 56.334 56.400 -0.114 0.000 0.916 399 E CB 0.383 30.022 29.700 -0.101 0.000 0.993 399 E HN 0.540 nan 8.360 nan 0.000 0.446 400 I N 4.423 124.844 120.570 -0.249 0.000 2.585 400 I HA -0.070 4.100 4.170 -0.001 0.000 0.254 400 I C 0.497 176.706 176.117 0.153 0.000 1.129 400 I CA 0.038 61.179 61.300 -0.263 0.000 1.455 400 I CB 0.064 37.901 38.000 -0.271 0.000 1.111 400 I HN 0.681 nan 8.210 nan 0.000 0.433 401 F N 1.680 121.586 119.950 -0.074 0.000 3.080 401 F HA -0.183 4.344 4.527 -0.001 0.000 0.292 401 F C 0.461 176.274 175.800 0.023 0.000 0.891 401 F CA 0.644 58.639 58.000 -0.008 0.000 1.086 401 F CB -1.360 37.680 39.000 0.067 0.000 1.095 401 F HN 0.161 nan 8.300 nan 0.000 0.633 402 G N -0.662 108.147 108.800 0.015 0.000 2.727 402 G HA2 0.635 4.595 3.960 -0.001 0.000 0.289 402 G HA3 0.635 4.595 3.960 -0.001 0.000 0.289 402 G C -2.970 171.891 174.900 -0.065 0.000 1.418 402 G CA -0.760 44.342 45.100 0.003 0.000 0.818 402 G HN -0.145 nan 8.290 nan 0.000 0.486 403 P HA 0.239 nan 4.420 nan 0.000 0.231 403 P C -0.589 176.743 177.300 0.053 0.000 1.756 403 P CA 0.010 63.156 63.100 0.076 0.000 0.990 403 P CB 0.128 31.997 31.700 0.281 0.000 1.973 404 V N 3.251 123.087 119.914 -0.130 0.000 2.380 404 V HA 0.338 4.457 4.120 -0.001 0.000 0.286 404 V C 0.270 176.267 176.094 -0.162 0.000 1.015 404 V CA -0.649 61.627 62.300 -0.039 0.000 0.834 404 V CB 1.893 33.765 31.823 0.082 0.000 1.009 404 V HN 0.303 nan 8.190 nan 0.000 0.428 405 M N 4.123 123.632 119.600 -0.152 0.000 2.209 405 M HA 0.572 5.052 4.480 -0.001 0.000 0.355 405 M C -0.722 175.598 176.300 0.034 0.000 1.171 405 M CA -0.283 54.921 55.300 -0.160 0.000 1.069 405 M CB 1.334 33.840 32.600 -0.156 0.000 1.622 405 M HN 0.622 nan 8.290 nan 0.000 0.459 406 Q N 5.130 124.924 119.800 -0.011 0.000 2.333 406 Q HA 0.582 4.921 4.340 -0.001 0.000 0.265 406 Q C -1.294 174.698 176.000 -0.013 0.000 0.989 406 Q CA 0.048 55.863 55.803 0.020 0.000 0.842 406 Q CB 1.766 30.472 28.738 -0.053 0.000 1.262 406 Q HN 0.705 nan 8.270 nan 0.000 0.451 407 I N 4.102 124.702 120.570 0.050 0.000 2.382 407 I HA 0.375 4.545 4.170 -0.001 0.000 0.286 407 I C -0.989 175.192 176.117 0.106 0.000 1.002 407 I CA -0.868 60.467 61.300 0.060 0.000 1.135 407 I CB 0.898 38.955 38.000 0.094 0.000 1.288 407 I HN 0.325 nan 8.210 nan 0.000 0.448 408 L N 6.564 127.785 121.223 -0.003 0.000 2.334 408 L HA 0.530 4.869 4.340 -0.001 0.000 0.273 408 L C -0.098 176.910 176.870 0.229 0.000 1.013 408 L CA -0.465 54.377 54.840 0.004 0.000 0.816 408 L CB 1.448 43.277 42.059 -0.383 0.000 1.278 408 L HN 0.455 nan 8.230 nan 0.000 0.431 409 K N 2.220 122.719 120.400 0.165 0.000 2.182 409 K HA 0.689 5.009 4.320 -0.001 0.000 0.262 409 K C -1.413 175.330 176.600 0.239 0.000 0.957 409 K CA -0.469 55.869 56.287 0.086 0.000 0.842 409 K CB 1.211 33.460 32.500 -0.418 0.000 1.099 409 K HN 0.525 nan 8.250 nan 0.000 0.438 410 F N 1.244 121.260 119.950 0.111 0.000 2.650 410 F HA 0.474 5.000 4.527 -0.001 0.000 0.320 410 F C 0.226 176.054 175.800 0.047 0.000 1.091 410 F CA -0.939 57.120 58.000 0.098 0.000 0.962 410 F CB 1.584 40.670 39.000 0.144 0.000 1.363 410 F HN 0.526 nan 8.300 nan 0.000 0.482 411 K N -0.052 120.429 120.400 0.136 0.000 2.266 411 K HA 0.221 4.541 4.320 -0.001 0.000 0.209 411 K C 0.247 176.921 176.600 0.122 0.000 1.065 411 K CA 0.977 57.263 56.287 -0.002 0.000 0.946 411 K CB 0.237 32.750 32.500 0.021 0.000 1.069 411 K HN 0.905 nan 8.250 nan 0.000 0.472 412 T N -1.832 112.870 114.554 0.247 0.000 2.952 412 T HA 0.266 4.616 4.350 -0.001 0.000 0.286 412 T C 1.192 176.035 174.700 0.237 0.000 1.024 412 T CA -0.831 61.386 62.100 0.195 0.000 1.029 412 T CB 1.436 70.355 68.868 0.085 0.000 1.094 412 T HN 0.200 nan 8.240 nan 0.000 0.515 413 I N 0.297 120.930 120.570 0.105 0.000 2.353 413 I HA -0.074 4.095 4.170 -0.001 0.000 0.248 413 I C 2.157 178.265 176.117 -0.015 0.000 1.119 413 I CA 1.376 62.678 61.300 0.004 0.000 1.417 413 I CB -0.047 37.875 38.000 -0.130 0.000 1.078 413 I HN 0.751 nan 8.210 nan 0.000 0.421 414 E N 0.672 120.875 120.200 0.004 0.000 2.077 414 E HA -0.287 4.063 4.350 -0.001 0.000 0.193 414 E C 1.949 178.556 176.600 0.011 0.000 0.989 414 E CA 1.411 57.843 56.400 0.053 0.000 0.800 414 E CB -0.248 29.481 29.700 0.048 0.000 0.746 414 E HN 0.529 nan 8.360 nan 0.000 0.452 415 E N 0.503 120.708 120.200 0.007 0.000 2.051 415 E HA -0.185 4.165 4.350 -0.001 0.000 0.192 415 E C 2.083 178.607 176.600 -0.127 0.000 0.991 415 E CA 1.221 57.616 56.400 -0.009 0.000 0.799 415 E CB -0.061 29.681 29.700 0.070 0.000 0.748 415 E HN 0.172 nan 8.360 nan 0.000 0.449 416 V N 0.398 120.150 119.914 -0.270 0.000 2.515 416 V HA -0.175 3.945 4.120 -0.001 0.000 0.250 416 V C 2.278 178.072 176.094 -0.501 0.000 1.058 416 V CA 1.250 63.168 62.300 -0.637 0.000 1.064 416 V CB 0.096 31.159 31.823 -1.267 0.000 0.675 416 V HN 0.224 nan 8.190 nan 0.000 0.461 417 V N 0.577 120.336 119.914 -0.258 0.000 2.295 417 V HA -0.140 3.979 4.120 -0.001 0.000 0.246 417 V C 2.655 178.655 176.094 -0.157 0.000 1.049 417 V CA 2.175 64.374 62.300 -0.168 0.000 1.024 417 V CB -1.298 30.505 31.823 -0.034 0.000 0.648 417 V HN 0.624 nan 8.190 nan 0.000 0.447 418 G N -0.370 108.359 108.800 -0.119 0.000 2.418 418 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.217 418 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.217 418 G C 1.751 176.595 174.900 -0.093 0.000 1.158 418 G CA 0.595 45.647 45.100 -0.081 0.000 0.771 418 G HN 0.441 nan 8.290 nan 0.000 0.545 419 R N 0.407 120.817 120.500 -0.151 0.000 2.090 419 R HA 0.138 4.478 4.340 -0.001 0.000 0.228 419 R C 2.993 179.206 176.300 -0.146 0.000 1.110 419 R CA 0.978 57.007 56.100 -0.119 0.000 0.973 419 R CB -0.295 29.923 30.300 -0.137 0.000 0.869 419 R HN 0.337 nan 8.270 nan 0.000 0.440 420 A N 1.585 124.194 122.820 -0.351 0.000 1.898 420 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 420 A C 1.610 179.153 177.584 -0.067 0.000 1.181 420 A CA 1.305 53.199 52.037 -0.239 0.000 0.620 420 A CB -0.267 18.531 19.000 -0.336 0.000 0.819 420 A HN 0.213 nan 8.150 nan 0.000 0.442 421 N N 0.301 118.950 118.700 -0.085 0.000 2.463 421 N HA -0.053 4.687 4.740 -0.001 0.000 0.181 421 N C 0.257 175.761 175.510 -0.009 0.000 1.078 421 N CA 0.279 53.303 53.050 -0.044 0.000 0.902 421 N CB -0.395 38.056 38.487 -0.060 0.000 0.970 421 N HN 0.375 nan 8.380 nan 0.000 0.451 422 N N 1.118 119.818 118.700 -0.000 0.000 2.895 422 N HA 0.032 4.771 4.740 -0.001 0.000 0.277 422 N C -1.254 174.281 175.510 0.042 0.000 1.185 422 N CA 0.131 53.191 53.050 0.018 0.000 1.106 422 N CB -0.242 38.259 38.487 0.022 0.000 1.422 422 N HN -0.071 nan 8.380 nan 0.000 0.521 423 S N 0.091 115.812 115.700 0.035 0.000 2.552 423 S HA 0.283 4.753 4.470 -0.001 0.000 0.272 423 S C 0.651 175.251 174.600 -0.001 0.000 1.150 423 S CA -0.563 57.663 58.200 0.045 0.000 0.849 423 S CB 0.685 63.959 63.200 0.124 0.000 1.113 423 S HN 0.235 nan 8.310 nan 0.000 0.458 424 T N 2.209 116.708 114.554 -0.092 0.000 3.067 424 T HA 0.203 4.552 4.350 -0.001 0.000 0.261 424 T C -0.021 174.586 174.700 -0.155 0.000 1.110 424 T CA 0.971 62.968 62.100 -0.172 0.000 1.113 424 T CB -0.324 68.356 68.868 -0.314 0.000 0.917 424 T HN 0.531 nan 8.240 nan 0.000 0.499 425 Y N -0.137 120.185 120.300 0.037 0.000 2.392 425 Y HA 0.541 5.090 4.550 -0.001 0.000 0.323 425 Y C 1.272 177.192 175.900 0.034 0.000 1.291 425 Y CA -0.789 57.336 58.100 0.042 0.000 1.345 425 Y CB 1.306 39.797 38.460 0.052 0.000 1.320 425 Y HN -0.002 nan 8.280 nan 0.000 0.518 426 G N 1.030 109.964 108.800 0.223 0.000 5.153 426 G HA2 0.078 4.038 3.960 -0.001 0.000 0.213 426 G HA3 0.078 4.038 3.960 -0.001 0.000 0.213 426 G C -0.322 174.580 174.900 0.004 0.000 1.576 426 G CA -0.321 44.825 45.100 0.077 0.000 0.640 426 G HN 0.534 nan 8.290 nan 0.000 0.237 427 L N 0.509 121.739 121.223 0.012 0.000 2.102 427 L HA 0.783 5.123 4.340 -0.001 0.000 0.202 427 L C 1.142 177.902 176.870 -0.183 0.000 1.076 427 L CA 2.225 57.018 54.840 -0.078 0.000 0.761 427 L CB 0.043 42.114 42.059 0.021 0.000 0.921 427 L HN 0.559 nan 8.230 nan 0.000 0.444 428 A N -2.030 120.742 122.820 -0.081 0.000 2.588 428 A HA 0.902 5.222 4.320 -0.001 0.000 0.290 428 A C -1.477 176.078 177.584 -0.048 0.000 1.136 428 A CA -0.103 51.835 52.037 -0.164 0.000 0.681 428 A CB 0.839 19.812 19.000 -0.046 0.000 1.282 428 A HN 0.545 nan 8.150 nan 0.000 0.421 429 A N -1.345 121.425 122.820 -0.084 0.000 2.567 429 A HA 0.963 5.283 4.320 -0.001 0.000 0.291 429 A C -0.711 176.959 177.584 0.144 0.000 1.048 429 A CA 0.169 52.259 52.037 0.089 0.000 0.661 429 A CB 0.350 19.343 19.000 -0.012 0.000 1.288 429 A HN 2.684 nan 8.150 nan 0.000 0.424 430 A N -0.271 122.746 122.820 0.328 0.000 2.556 430 A HA 0.842 5.162 4.320 -0.001 0.000 0.294 430 A C -1.457 176.335 177.584 0.347 0.000 1.091 430 A CA -0.507 51.768 52.037 0.398 0.000 0.704 430 A CB 1.627 21.087 19.000 0.766 0.000 1.300 430 A HN 1.840 nan 8.150 nan 0.000 0.406 431 V N 0.817 120.883 119.914 0.253 0.000 2.623 431 V HA 0.541 4.660 4.120 -0.001 0.000 0.304 431 V C -1.611 174.558 176.094 0.126 0.000 1.054 431 V CA -0.240 62.193 62.300 0.220 0.000 0.882 431 V CB 1.423 33.309 31.823 0.104 0.000 1.002 431 V HN 0.701 nan 8.190 nan 0.000 0.424 432 F N 2.790 122.854 119.950 0.190 0.000 2.403 432 F HA 0.781 5.308 4.527 -0.001 0.000 0.355 432 F C 0.361 176.266 175.800 0.176 0.000 1.119 432 F CA -0.178 57.947 58.000 0.208 0.000 1.007 432 F CB 2.024 41.160 39.000 0.227 0.000 1.194 432 F HN 0.534 nan 8.300 nan 0.000 0.443 433 T N 1.993 116.676 114.554 0.215 0.000 2.827 433 T HA 0.281 4.631 4.350 -0.001 0.000 0.328 433 T C 0.089 174.857 174.700 0.112 0.000 1.598 433 T CA -0.659 61.542 62.100 0.167 0.000 1.043 433 T CB 1.498 70.445 68.868 0.132 0.000 1.447 433 T HN 0.634 nan 8.240 nan 0.000 0.491 434 K N 0.492 120.950 120.400 0.096 0.000 2.354 434 K HA 0.191 4.511 4.320 -0.001 0.000 0.194 434 K C -0.165 176.462 176.600 0.045 0.000 1.038 434 K CA -0.073 56.252 56.287 0.064 0.000 1.052 434 K CB 0.275 32.813 32.500 0.062 0.000 0.861 434 K HN 0.518 nan 8.250 nan 0.000 0.535 435 D N 0.955 121.385 120.400 0.050 0.000 2.312 435 D HA 0.006 4.646 4.640 -0.001 0.000 0.252 435 D C 0.878 177.199 176.300 0.035 0.000 1.150 435 D CA -0.247 53.775 54.000 0.038 0.000 0.870 435 D CB 1.060 41.881 40.800 0.035 0.000 1.153 435 D HN -0.151 nan 8.370 nan 0.000 0.457 436 L N 4.105 125.344 121.223 0.027 0.000 2.017 436 L HA -0.117 4.223 4.340 -0.001 0.000 0.208 436 L C 1.267 178.158 176.870 0.036 0.000 1.073 436 L CA 1.928 56.784 54.840 0.026 0.000 0.745 436 L CB -0.453 41.619 42.059 0.020 0.000 0.894 436 L HN 0.502 nan 8.230 nan 0.000 0.432 437 D N -0.178 120.243 120.400 0.036 0.000 2.097 437 D HA -0.182 4.458 4.640 -0.001 0.000 0.195 437 D C 2.188 178.531 176.300 0.072 0.000 0.989 437 D CA 1.492 55.522 54.000 0.049 0.000 0.827 437 D CB -0.111 40.708 40.800 0.031 0.000 0.966 437 D HN 0.388 nan 8.370 nan 0.000 0.456 438 K N 0.626 121.052 120.400 0.043 0.000 2.063 438 K HA -0.073 4.247 4.320 -0.001 0.000 0.208 438 K C 2.135 178.797 176.600 0.102 0.000 1.048 438 K CA 1.200 57.516 56.287 0.048 0.000 0.928 438 K CB -0.116 32.403 32.500 0.032 0.000 0.713 438 K HN 0.040 nan 8.250 nan 0.000 0.442 439 A N 2.098 124.962 122.820 0.074 0.000 1.865 439 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 439 A C 1.875 179.495 177.584 0.061 0.000 1.191 439 A CA 1.770 53.843 52.037 0.060 0.000 0.623 439 A CB -0.524 18.497 19.000 0.035 0.000 0.826 439 A HN 0.230 nan 8.150 nan 0.000 0.444 440 N N -1.651 117.088 118.700 0.064 0.000 2.188 440 N HA -0.145 4.595 4.740 -0.001 0.000 0.184 440 N C 1.587 177.140 175.510 0.072 0.000 1.018 440 N CA 1.575 54.656 53.050 0.050 0.000 0.858 440 N CB -0.574 37.939 38.487 0.044 0.000 0.989 440 N HN 0.702 nan 8.380 nan 0.000 0.426 441 Y N 1.593 121.883 120.300 -0.016 0.000 2.145 441 Y HA -0.107 4.442 4.550 -0.001 0.000 0.286 441 Y C 2.196 178.074 175.900 -0.035 0.000 1.145 441 Y CA 1.436 59.524 58.100 -0.021 0.000 1.148 441 Y CB -0.301 38.151 38.460 -0.012 0.000 0.981 441 Y HN -0.048 nan 8.280 nan 0.000 0.507 442 L N -0.266 121.089 121.223 0.220 0.000 2.072 442 L HA -0.192 4.147 4.340 -0.001 0.000 0.205 442 L C 2.768 179.614 176.870 -0.041 0.000 1.079 442 L CA 1.438 56.332 54.840 0.090 0.000 0.752 442 L CB -0.838 41.288 42.059 0.113 0.000 0.906 442 L HN 0.362 nan 8.230 nan 0.000 0.436 443 S N -0.738 114.941 115.700 -0.035 0.000 2.399 443 S HA -0.304 4.165 4.470 -0.001 0.000 0.231 443 S C 1.903 176.432 174.600 -0.118 0.000 1.022 443 S CA 1.487 59.638 58.200 -0.082 0.000 0.983 443 S CB -0.389 62.772 63.200 -0.065 0.000 0.803 443 S HN 0.517 nan 8.310 nan 0.000 0.480 444 Q N 1.293 121.022 119.800 -0.119 0.000 2.062 444 Q HA 0.100 4.439 4.340 -0.001 0.000 0.196 444 Q C 2.301 178.193 176.000 -0.179 0.000 0.967 444 Q CA 1.104 56.824 55.803 -0.140 0.000 0.832 444 Q CB -0.546 28.108 28.738 -0.140 0.000 0.899 444 Q HN 0.671 nan 8.270 nan 0.000 0.442 445 A N 0.826 123.496 122.820 -0.249 0.000 1.969 445 A HA 0.030 4.350 4.320 -0.001 0.000 0.218 445 A C 0.961 178.435 177.584 -0.183 0.000 1.169 445 A CA 0.332 52.216 52.037 -0.255 0.000 0.635 445 A CB -0.499 18.269 19.000 -0.386 0.000 0.810 445 A HN 0.394 nan 8.150 nan 0.000 0.445 446 L N 0.936 122.054 121.223 -0.176 0.000 2.462 446 L HA 0.040 4.380 4.340 -0.001 0.000 0.272 446 L C 0.086 176.803 176.870 -0.254 0.000 1.166 446 L CA -0.129 54.600 54.840 -0.184 0.000 0.880 446 L CB 0.430 42.387 42.059 -0.170 0.000 1.142 446 L HN 0.397 nan 8.230 nan 0.000 0.473 447 Q N 3.872 123.533 119.800 -0.231 0.000 2.844 447 Q HA 0.492 4.832 4.340 -0.001 0.000 0.235 447 Q C -0.308 175.360 176.000 -0.554 0.000 1.336 447 Q CA -0.255 55.362 55.803 -0.310 0.000 1.026 447 Q CB 0.635 29.338 28.738 -0.059 0.000 1.513 447 Q HN 0.692 nan 8.270 nan 0.000 0.577 448 A N -0.210 122.061 122.820 -0.915 0.000 2.539 448 A HA 0.679 4.998 4.320 -0.001 0.000 0.296 448 A C 0.900 177.903 177.584 -0.968 0.000 1.073 448 A CA -0.430 51.141 52.037 -0.775 0.000 0.700 448 A CB 1.201 19.957 19.000 -0.407 0.000 1.296 448 A HN 0.530 nan 8.150 nan 0.000 0.405 449 G N 0.029 108.502 108.800 -0.545 0.000 2.432 449 G HA2 0.258 4.218 3.960 -0.001 0.000 0.219 449 G HA3 0.258 4.218 3.960 -0.001 0.000 0.219 449 G C 0.511 175.164 174.900 -0.412 0.000 1.135 449 G CA 1.729 46.643 45.100 -0.311 0.000 0.767 449 G HN 0.865 nan 8.290 nan 0.000 0.550 450 T N -0.392 113.842 114.554 -0.534 0.000 2.928 450 T HA 0.497 4.847 4.350 -0.001 0.000 0.296 450 T C -1.142 173.104 174.700 -0.757 0.000 1.000 450 T CA -0.427 61.264 62.100 -0.682 0.000 0.989 450 T CB 2.730 71.052 68.868 -0.909 0.000 1.005 450 T HN -0.092 nan 8.240 nan 0.000 0.442 451 V N 3.807 123.344 119.914 -0.628 0.000 2.350 451 V HA 0.423 4.542 4.120 -0.001 0.000 0.285 451 V C -0.704 175.158 176.094 -0.387 0.000 1.014 451 V CA -0.992 61.050 62.300 -0.430 0.000 0.831 451 V CB 1.132 32.800 31.823 -0.259 0.000 1.000 451 V HN 0.766 nan 8.190 nan 0.000 0.433 452 W N 3.751 124.951 121.300 -0.167 0.000 2.365 452 W HA 0.607 5.267 4.660 -0.001 0.000 0.316 452 W C -0.514 175.921 176.519 -0.139 0.000 1.164 452 W CA -0.689 56.555 57.345 -0.168 0.000 1.204 452 W CB 1.865 31.186 29.460 -0.231 0.000 1.213 452 W HN 0.263 nan 8.180 nan 0.000 0.539 453 V N 5.037 124.991 119.914 0.067 0.000 2.384 453 V HA 0.135 4.254 4.120 -0.001 0.000 0.287 453 V C 0.275 176.261 176.094 -0.179 0.000 1.020 453 V CA -0.862 61.399 62.300 -0.066 0.000 0.850 453 V CB 1.107 32.910 31.823 -0.033 0.000 0.987 453 V HN 0.666 nan 8.190 nan 0.000 0.436 454 N N 1.978 120.350 118.700 -0.548 0.000 2.741 454 N HA -0.177 4.562 4.740 -0.001 0.000 0.250 454 N C -0.269 175.120 175.510 -0.202 0.000 1.115 454 N CA 1.308 53.967 53.050 -0.650 0.000 0.724 454 N CB -1.119 37.293 38.487 -0.126 0.000 1.090 454 N HN 1.061 nan 8.380 nan 0.000 0.558 455 C N -4.259 114.886 119.300 -0.258 0.000 3.259 455 C HA 0.801 5.260 4.460 -0.001 0.000 0.344 455 C C -1.056 174.020 174.990 0.143 0.000 1.401 455 C CA -1.362 57.745 59.018 0.148 0.000 1.219 455 C CB 1.771 29.579 27.740 0.113 0.000 1.521 455 C HN 0.255 nan 8.230 nan 0.000 0.455 456 Y N -0.177 119.985 120.300 -0.230 0.000 2.581 456 Y HA 0.468 5.018 4.550 -0.001 0.000 0.337 456 Y C -0.292 175.065 175.900 -0.904 0.000 1.108 456 Y CA 0.362 58.113 58.100 -0.581 0.000 1.033 456 Y CB 1.397 39.820 38.460 -0.062 0.000 1.318 456 Y HN 1.020 nan 8.280 nan 0.000 0.459 457 D N 1.757 121.147 120.400 -1.684 0.000 2.751 457 D HA -0.141 4.499 4.640 -0.001 0.000 0.233 457 D C -0.968 175.028 176.300 -0.507 0.000 1.149 457 D CA 0.907 54.424 54.000 -0.804 0.000 0.682 457 D CB -1.013 39.828 40.800 0.069 0.000 1.068 457 D HN 0.150 nan 8.370 nan 0.000 0.429 458 V N 1.413 120.789 119.914 -0.897 0.000 2.339 458 V HA 0.279 4.399 4.120 -0.001 0.000 0.261 458 V C 0.458 176.512 176.094 -0.065 0.000 1.058 458 V CA -0.239 61.907 62.300 -0.256 0.000 0.897 458 V CB 0.005 31.731 31.823 -0.161 0.000 1.052 458 V HN -0.012 nan 8.190 nan 0.000 0.480 459 F N 2.617 122.606 119.950 0.065 0.000 2.443 459 F HA 0.783 5.310 4.527 -0.001 0.000 0.335 459 F C 0.812 176.621 175.800 0.016 0.000 1.104 459 F CA -0.434 57.611 58.000 0.076 0.000 1.013 459 F CB 2.100 41.130 39.000 0.051 0.000 1.136 459 F HN 0.484 nan 8.300 nan 0.000 0.470 460 G N 0.540 109.416 108.800 0.127 0.000 2.617 460 G HA2 0.516 4.475 3.960 -0.001 0.000 0.306 460 G HA3 0.516 4.475 3.960 -0.001 0.000 0.306 460 G C 0.133 174.950 174.900 -0.138 0.000 1.360 460 G CA -0.419 44.678 45.100 -0.004 0.000 0.983 460 G HN 0.875 nan 8.290 nan 0.000 0.496 461 A N 1.294 123.962 122.820 -0.254 0.000 2.070 461 A HA -0.050 4.269 4.320 -0.001 0.000 0.220 461 A C 2.107 179.096 177.584 -0.992 0.000 1.159 461 A CA 1.736 53.456 52.037 -0.529 0.000 0.656 461 A CB -0.090 18.620 19.000 -0.485 0.000 0.800 461 A HN 0.577 nan 8.150 nan 0.000 0.453 462 Q N -0.002 119.350 119.800 -0.745 0.000 2.269 462 Q HA 0.139 4.479 4.340 -0.001 0.000 0.201 462 Q C 0.480 176.398 176.000 -0.137 0.000 0.946 462 Q CA 0.750 56.245 55.803 -0.514 0.000 0.877 462 Q CB 0.027 28.659 28.738 -0.178 0.000 0.963 462 Q HN 0.462 nan 8.270 nan 0.000 0.472 463 S N 2.426 118.060 115.700 -0.110 0.000 2.480 463 S HA 0.378 4.848 4.470 -0.001 0.000 0.286 463 S C -2.440 172.153 174.600 -0.011 0.000 1.180 463 S CA -1.363 56.828 58.200 -0.016 0.000 1.075 463 S CB 1.083 64.271 63.200 -0.020 0.000 0.996 463 S HN 0.071 nan 8.310 nan 0.000 0.487 464 P HA 0.279 nan 4.420 nan 0.000 0.271 464 P C -1.027 176.284 177.300 0.017 0.000 1.218 464 P CA -0.247 62.846 63.100 -0.013 0.000 0.780 464 P CB 0.401 31.987 31.700 -0.191 0.000 0.901 465 F N 1.253 121.133 119.950 -0.117 0.000 2.569 465 F HA 0.689 5.216 4.527 -0.000 0.000 0.312 465 F C -0.397 175.408 175.800 0.009 0.000 1.109 465 F CA 0.187 58.158 58.000 -0.048 0.000 0.919 465 F CB 2.179 41.227 39.000 0.081 0.000 1.211 465 F HN 0.662 nan 8.300 nan 0.000 0.446 466 G N 2.153 110.544 108.800 -0.681 0.000 2.338 466 G HA2 0.477 4.436 3.960 -0.001 0.000 0.295 466 G HA3 0.477 4.436 3.960 -0.001 0.000 0.295 466 G C -1.603 173.074 174.900 -0.372 0.000 1.461 466 G CA -0.212 44.650 45.100 -0.396 0.000 0.817 466 G HN 1.019 nan 8.290 nan 0.000 0.556 467 G N -1.370 107.333 108.800 -0.162 0.000 2.461 467 G HA2 0.613 4.573 3.960 -0.001 0.000 0.329 467 G HA3 0.613 4.573 3.960 -0.001 0.000 0.329 467 G C -1.304 173.663 174.900 0.111 0.000 1.170 467 G CA -0.545 44.534 45.100 -0.035 0.000 0.935 467 G HN 0.444 nan 8.290 nan 0.000 0.492 468 Y N 0.384 120.627 120.300 -0.096 0.000 2.432 468 Y HA 0.428 4.978 4.550 -0.001 0.000 0.322 468 Y C 1.364 177.247 175.900 -0.029 0.000 1.246 468 Y CA -0.616 57.442 58.100 -0.070 0.000 1.268 468 Y CB 1.496 39.911 38.460 -0.075 0.000 1.276 468 Y HN 0.873 nan 8.280 nan 0.000 0.499 469 K N -0.338 120.115 120.400 0.088 0.000 1.867 469 K HA -0.327 3.992 4.320 -0.001 0.000 0.140 469 K C 0.699 177.322 176.600 0.038 0.000 1.408 469 K CA 1.953 58.267 56.287 0.046 0.000 0.461 469 K CB -1.048 31.490 32.500 0.063 0.000 0.594 469 K HN 0.687 nan 8.250 nan 0.000 0.888 470 M N 0.977 120.597 119.600 0.034 0.000 2.633 470 M HA 0.022 4.502 4.480 -0.001 0.000 0.226 470 M C 0.804 177.192 176.300 0.146 0.000 1.137 470 M CA 0.566 55.889 55.300 0.038 0.000 1.020 470 M CB 0.172 32.739 32.600 -0.054 0.000 1.675 470 M HN 0.305 nan 8.290 nan 0.000 0.500 471 S N 0.527 116.340 115.700 0.189 0.000 2.593 471 S HA 0.329 4.799 4.470 -0.001 0.000 0.217 471 S C 0.843 175.518 174.600 0.125 0.000 0.966 471 S CA 0.407 58.737 58.200 0.218 0.000 0.914 471 S CB 0.088 63.400 63.200 0.185 0.000 0.776 471 S HN 0.767 nan 8.310 nan 0.000 0.523 472 G N 0.834 109.692 108.800 0.096 0.000 2.331 472 G HA2 0.228 4.188 3.960 -0.001 0.000 0.402 472 G HA3 0.228 4.188 3.960 -0.001 0.000 0.402 472 G C -1.045 173.870 174.900 0.024 0.000 1.275 472 G CA -0.458 44.684 45.100 0.070 0.000 1.003 472 G HN 0.784 nan 8.290 nan 0.000 0.500 473 S N -1.198 114.511 115.700 0.014 0.000 2.537 473 S HA 1.007 5.477 4.470 -0.001 0.000 0.270 473 S C 0.364 174.953 174.600 -0.018 0.000 1.142 473 S CA 0.565 58.751 58.200 -0.022 0.000 0.870 473 S CB 1.542 64.727 63.200 -0.025 0.000 1.112 473 S HN 3.098 nan 8.310 nan 0.000 0.466 474 G N 1.635 110.410 108.800 -0.042 0.000 2.756 474 G HA2 0.142 4.102 3.960 -0.001 0.000 0.678 474 G HA3 0.142 4.102 3.960 -0.001 0.000 0.678 474 G C -1.437 173.451 174.900 -0.021 0.000 1.349 474 G CA -0.996 44.087 45.100 -0.028 0.000 0.847 474 G HN 0.824 nan 8.290 nan 0.000 0.548 475 R N 0.267 120.771 120.500 0.006 0.000 2.744 475 R HA 0.611 4.951 4.340 -0.001 0.000 0.279 475 R C -0.232 176.116 176.300 0.080 0.000 0.977 475 R CA -0.718 55.390 56.100 0.013 0.000 0.906 475 R CB 1.868 32.141 30.300 -0.044 0.000 1.197 475 R HN 0.765 nan 8.270 nan 0.000 0.463 476 E N 1.861 122.118 120.200 0.094 0.000 2.263 476 E HA 0.600 4.950 4.350 -0.001 0.000 0.264 476 E C -0.312 176.289 176.600 0.002 0.000 0.923 476 E CA -0.907 55.545 56.400 0.087 0.000 0.802 476 E CB 1.891 31.675 29.700 0.138 0.000 1.228 476 E HN 0.326 nan 8.360 nan 0.000 0.417 477 L N -0.023 121.212 121.223 0.019 0.000 0.584 477 L HA -0.262 4.077 4.340 -0.001 0.000 0.356 477 L C 0.619 177.584 176.870 0.159 0.000 0.953 477 L CA 0.728 55.579 54.840 0.018 0.000 1.223 477 L CB -1.274 40.609 42.059 -0.293 0.000 0.011 477 L HN 1.018 nan 8.230 nan 0.000 0.091 478 G N 0.332 109.179 108.800 0.077 0.000 2.697 478 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.240 478 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.240 478 G C 0.397 175.491 174.900 0.324 0.000 1.346 478 G CA 0.987 46.236 45.100 0.248 0.000 0.887 478 G HN 1.155 nan 8.290 nan 0.000 0.569 479 E N -1.049 119.280 120.200 0.214 0.000 2.106 479 E HA -0.072 4.278 4.350 -0.001 0.000 0.192 479 E C 2.232 178.636 176.600 -0.327 0.000 0.984 479 E CA 1.609 57.834 56.400 -0.291 0.000 0.806 479 E CB -0.156 29.427 29.700 -0.196 0.000 0.750 479 E HN 0.625 nan 8.360 nan 0.000 0.458 480 Y N 0.107 120.380 120.300 -0.045 0.000 2.193 480 Y HA -0.137 4.413 4.550 -0.001 0.000 0.285 480 Y C 2.441 178.312 175.900 -0.048 0.000 1.166 480 Y CA 1.171 59.251 58.100 -0.033 0.000 1.181 480 Y CB -0.778 37.684 38.460 0.002 0.000 0.976 480 Y HN 0.185 nan 8.280 nan 0.000 0.520 481 G N -0.163 108.735 108.800 0.162 0.000 2.501 481 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.220 481 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.220 481 G C 1.434 176.353 174.900 0.033 0.000 1.114 481 G CA 0.920 46.105 45.100 0.142 0.000 0.757 481 G HN 0.419 nan 8.290 nan 0.000 0.559 482 L N -0.805 120.307 121.223 -0.186 0.000 2.375 482 L HA 0.075 4.415 4.340 -0.001 0.000 0.215 482 L C 2.900 179.626 176.870 -0.241 0.000 1.108 482 L CA 0.223 54.833 54.840 -0.384 0.000 0.830 482 L CB -0.323 41.065 42.059 -1.119 0.000 0.959 482 L HN 0.203 nan 8.230 nan 0.000 0.457 483 Q N 0.738 120.455 119.800 -0.137 0.000 2.077 483 Q HA -0.239 4.100 4.340 -0.001 0.000 0.206 483 Q C 2.372 178.335 176.000 -0.061 0.000 0.989 483 Q CA 1.985 57.770 55.803 -0.029 0.000 0.853 483 Q CB -0.340 28.408 28.738 0.018 0.000 0.907 483 Q HN 0.571 nan 8.270 nan 0.000 0.418 484 A N -0.425 122.324 122.820 -0.118 0.000 2.172 484 A HA -0.114 4.206 4.320 -0.001 0.000 0.216 484 A C 0.873 178.185 177.584 -0.455 0.000 1.154 484 A CA 0.822 52.686 52.037 -0.287 0.000 0.701 484 A CB -0.293 18.477 19.000 -0.383 0.000 0.789 484 A HN 0.428 nan 8.150 nan 0.000 0.465 485 Y N -0.516 119.743 120.300 -0.068 0.000 2.555 485 Y HA 0.212 4.762 4.550 -0.001 0.000 0.259 485 Y C 0.324 176.208 175.900 -0.027 0.000 1.179 485 Y CA -0.002 58.064 58.100 -0.056 0.000 1.230 485 Y CB 0.551 38.963 38.460 -0.080 0.000 1.146 485 Y HN 0.062 nan 8.280 nan 0.000 0.526 486 T N 0.261 114.849 114.554 0.056 0.000 2.841 486 T HA 0.364 4.714 4.350 -0.001 0.000 0.283 486 T C -1.013 173.689 174.700 0.004 0.000 1.000 486 T CA -0.666 61.468 62.100 0.056 0.000 0.977 486 T CB 1.975 70.879 68.868 0.059 0.000 0.979 486 T HN -0.070 nan 8.240 nan 0.000 0.446 487 E N 2.172 122.392 120.200 0.034 0.000 2.155 487 E HA 0.498 4.848 4.350 -0.001 0.000 0.264 487 E C -1.053 175.566 176.600 0.032 0.000 0.886 487 E CA -0.579 55.836 56.400 0.024 0.000 0.752 487 E CB 0.954 30.686 29.700 0.054 0.000 1.133 487 E HN 0.332 nan 8.360 nan 0.000 0.414 488 V N 5.267 125.184 119.914 0.004 0.000 2.461 488 V HA 0.293 4.413 4.120 -0.001 0.000 0.275 488 V C 0.181 176.292 176.094 0.029 0.000 1.047 488 V CA -0.361 61.962 62.300 0.038 0.000 0.955 488 V CB 1.034 32.866 31.823 0.016 0.000 0.988 488 V HN 0.559 nan 8.190 nan 0.000 0.471 489 K N 3.228 123.650 120.400 0.037 0.000 2.413 489 K HA 0.490 4.809 4.320 -0.001 0.000 0.257 489 K C -0.601 175.948 176.600 -0.086 0.000 0.946 489 K CA -0.379 55.895 56.287 -0.021 0.000 0.823 489 K CB 1.526 34.019 32.500 -0.011 0.000 1.109 489 K HN 0.704 nan 8.250 nan 0.000 0.427 490 T N 2.916 117.392 114.554 -0.130 0.000 2.806 490 T HA 0.299 4.649 4.350 -0.001 0.000 0.290 490 T C -0.724 173.779 174.700 -0.328 0.000 0.966 490 T CA -0.484 61.486 62.100 -0.217 0.000 1.060 490 T CB 1.149 69.919 68.868 -0.163 0.000 0.927 490 T HN 0.296 nan 8.240 nan 0.000 0.485 491 V N 3.993 123.551 119.914 -0.594 0.000 2.407 491 V HA 0.423 4.543 4.120 -0.001 0.000 0.291 491 V C 0.069 175.782 176.094 -0.635 0.000 1.018 491 V CA -0.757 61.137 62.300 -0.677 0.000 0.842 491 V CB 1.774 32.965 31.823 -1.054 0.000 0.996 491 V HN 0.946 nan 8.190 nan 0.000 0.426 492 T N 4.718 119.067 114.554 -0.341 0.000 2.809 492 T HA 0.522 4.872 4.350 -0.001 0.000 0.296 492 T C -0.273 174.394 174.700 -0.056 0.000 1.015 492 T CA -0.307 61.663 62.100 -0.216 0.000 0.954 492 T CB 1.302 70.028 68.868 -0.237 0.000 0.950 492 T HN 0.338 nan 8.240 nan 0.000 0.450 493 V N 4.041 123.995 119.914 0.068 0.000 2.435 493 V HA 0.440 4.560 4.120 -0.001 0.000 0.290 493 V C 0.473 176.777 176.094 0.350 0.000 1.030 493 V CA -1.116 61.304 62.300 0.200 0.000 0.881 493 V CB 1.644 33.617 31.823 0.251 0.000 0.983 493 V HN 0.716 nan 8.190 nan 0.000 0.445 494 K N 3.982 124.567 120.400 0.308 0.000 2.322 494 K HA 0.514 4.834 4.320 -0.001 0.000 0.283 494 K C -0.608 176.039 176.600 0.078 0.000 1.042 494 K CA -0.277 56.136 56.287 0.210 0.000 0.958 494 K CB 1.127 33.727 32.500 0.166 0.000 0.984 494 K HN 0.672 nan 8.250 nan 0.000 0.473 495 V N 1.900 121.791 119.914 -0.038 0.000 2.914 495 V HA 0.398 4.518 4.120 -0.001 0.000 0.314 495 V C -2.140 173.905 176.094 -0.080 0.000 1.084 495 V CA -2.044 60.245 62.300 -0.019 0.000 0.963 495 V CB 1.329 33.163 31.823 0.019 0.000 1.025 495 V HN 0.675 nan 8.190 nan 0.000 0.432 496 P HA -0.142 nan 4.420 nan 0.000 0.215 496 P C 0.101 177.356 177.300 -0.076 0.000 1.163 496 P CA 1.542 64.609 63.100 -0.056 0.000 0.894 496 P CB 0.125 31.803 31.700 -0.038 0.000 0.791 497 Q N -1.408 118.349 119.800 -0.071 0.000 2.418 497 Q HA 0.141 4.480 4.340 -0.001 0.000 0.240 497 Q C -1.045 174.919 176.000 -0.060 0.000 0.859 497 Q CA -0.668 55.092 55.803 -0.072 0.000 0.916 497 Q CB 1.046 29.752 28.738 -0.053 0.000 1.448 497 Q HN -0.132 nan 8.270 nan 0.000 0.439 498 K N 3.616 123.978 120.400 -0.064 0.000 2.326 498 K HA 0.256 4.576 4.320 -0.001 0.000 0.275 498 K C -0.938 175.648 176.600 -0.023 0.000 1.018 498 K CA 0.236 56.504 56.287 -0.032 0.000 0.962 498 K CB 0.630 33.124 32.500 -0.009 0.000 0.953 498 K HN 0.642 nan 8.250 nan 0.000 0.475 499 N N 0.997 119.686 118.700 -0.019 0.000 2.357 499 N HA 0.113 4.853 4.740 -0.001 0.000 0.284 499 N C -0.872 174.631 175.510 -0.010 0.000 1.236 499 N CA -0.562 52.478 53.050 -0.017 0.000 0.774 499 N CB 1.978 40.450 38.487 -0.026 0.000 1.534 499 N HN 0.740 nan 8.380 nan 0.000 0.478 500 S N 0.000 115.696 115.700 -0.006 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 500 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 500 S CB 0.000 63.200 63.200 0.000 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517