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_A DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGRE LGEYGLQAYT EVKTVTVKVP QKNS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.577 177.584 -0.012 0.000 1.274 7 A CA 0.000 52.052 52.037 0.026 0.000 0.836 7 A CB 0.000 19.024 19.000 0.040 0.000 0.831 8 V N 2.208 122.086 119.914 -0.060 0.000 2.394 8 V HA 0.482 4.602 4.120 -0.000 0.000 0.282 8 V C -1.916 174.078 176.094 -0.167 0.000 1.031 8 V CA -1.436 60.725 62.300 -0.232 0.000 0.881 8 V CB 1.234 32.952 31.823 -0.174 0.000 0.982 8 V HN 0.716 nan 8.190 nan 0.000 0.451 9 P HA 0.275 nan 4.420 nan 0.000 0.268 9 P C -0.239 177.062 177.300 0.002 0.000 1.205 9 P CA -0.099 62.948 63.100 -0.088 0.000 0.771 9 P CB 0.480 32.138 31.700 -0.071 0.000 0.858 10 A N 4.888 127.700 122.820 -0.014 0.000 2.548 10 A HA 0.285 4.605 4.320 -0.000 0.000 0.247 10 A C -1.646 175.859 177.584 -0.132 0.000 1.067 10 A CA -0.649 51.355 52.037 -0.056 0.000 0.757 10 A CB -1.018 17.950 19.000 -0.053 0.000 0.996 10 A HN 0.431 nan 8.150 nan 0.000 0.504 11 P HA 0.152 nan 4.420 nan 0.000 0.279 11 P C -0.846 176.236 177.300 -0.363 0.000 1.252 11 P CA -0.711 62.059 63.100 -0.551 0.000 0.811 11 P CB 0.791 31.720 31.700 -1.285 0.000 1.035 12 N N 1.514 120.045 118.700 -0.281 0.000 2.420 12 N HA 0.042 4.782 4.740 -0.000 0.000 0.249 12 N C 0.708 175.919 175.510 -0.498 0.000 1.033 12 N CA 0.039 52.932 53.050 -0.260 0.000 0.944 12 N CB 0.539 38.966 38.487 -0.099 0.000 1.113 12 N HN 0.252 nan 8.380 nan 0.000 0.502 13 Q N 1.849 121.237 119.800 -0.687 0.000 2.515 13 Q HA 0.003 4.343 4.340 -0.000 0.000 0.212 13 Q C -0.232 175.348 176.000 -0.700 0.000 0.970 13 Q CA 0.865 55.949 55.803 -1.197 0.000 0.941 13 Q CB 0.267 28.442 28.738 -0.938 0.000 0.998 13 Q HN 0.628 nan 8.270 nan 0.000 0.518 14 Q N 0.976 120.549 119.800 -0.378 0.000 3.394 14 Q HA 0.223 4.563 4.340 -0.000 0.000 0.285 14 Q C -2.499 173.415 176.000 -0.143 0.000 0.866 14 Q CA -1.330 54.347 55.803 -0.209 0.000 0.844 14 Q CB 1.374 30.014 28.738 -0.164 0.000 1.472 14 Q HN 0.110 nan 8.270 nan 0.000 0.401 15 P HA -0.033 nan 4.420 nan 0.000 0.271 15 P C -0.319 176.944 177.300 -0.061 0.000 1.220 15 P CA 0.057 63.134 63.100 -0.038 0.000 0.768 15 P CB 1.044 32.687 31.700 -0.096 0.000 0.848 16 E N 2.033 122.189 120.200 -0.074 0.000 2.392 16 E HA 0.154 4.504 4.350 -0.000 0.000 0.264 16 E C -0.739 175.584 176.600 -0.461 0.000 1.024 16 E CA -0.506 55.699 56.400 -0.325 0.000 0.903 16 E CB 0.626 30.023 29.700 -0.506 0.000 0.963 16 E HN 0.167 nan 8.360 nan 0.000 0.432 17 V N 6.207 125.849 119.914 -0.452 0.000 2.383 17 V HA 0.117 4.237 4.120 -0.000 0.000 0.275 17 V C 0.080 175.903 176.094 -0.451 0.000 1.036 17 V CA -0.077 62.030 62.300 -0.321 0.000 0.889 17 V CB 0.804 32.520 31.823 -0.179 0.000 0.985 17 V HN 0.710 nan 8.190 nan 0.000 0.459 18 F N 1.770 121.732 119.950 0.021 0.000 2.678 18 F HA 0.241 4.768 4.527 -0.000 0.000 0.291 18 F C 0.956 176.640 175.800 -0.193 0.000 1.123 18 F CA -0.016 57.960 58.000 -0.040 0.000 1.395 18 F CB 0.410 39.439 39.000 0.049 0.000 1.121 18 F HN 0.388 nan 8.300 nan 0.000 0.592 19 C N 1.718 120.989 119.300 -0.048 0.000 2.396 19 C HA 0.441 4.901 4.460 -0.000 0.000 0.321 19 C C 0.284 175.106 174.990 -0.279 0.000 1.233 19 C CA -0.859 57.900 59.018 -0.432 0.000 1.440 19 C CB 0.815 28.258 27.740 -0.496 0.000 2.110 19 C HN 0.540 nan 8.230 nan 0.000 0.473 20 N N 0.826 119.335 118.700 -0.319 0.000 2.261 20 N HA 0.045 4.785 4.740 -0.000 0.000 0.241 20 N C -0.439 175.037 175.510 -0.056 0.000 1.374 20 N CA -0.265 52.695 53.050 -0.149 0.000 0.802 20 N CB 0.030 38.422 38.487 -0.159 0.000 1.339 20 N HN 0.806 nan 8.380 nan 0.000 0.498 21 Q N 0.011 119.836 119.800 0.042 0.000 2.852 21 Q HA 0.580 4.920 4.340 -0.000 0.000 0.262 21 Q C -0.417 175.886 176.000 0.505 0.000 1.051 21 Q CA -0.981 54.982 55.803 0.267 0.000 0.894 21 Q CB 1.870 30.794 28.738 0.310 0.000 1.381 21 Q HN 0.113 nan 8.270 nan 0.000 0.501 22 I N 1.212 122.038 120.570 0.427 0.000 2.395 22 I HA 0.162 4.331 4.170 -0.000 0.000 0.289 22 I C -0.772 175.512 176.117 0.278 0.000 1.023 22 I CA -0.208 61.299 61.300 0.345 0.000 1.350 22 I CB 0.475 38.625 38.000 0.249 0.000 1.409 22 I HN 0.378 nan 8.210 nan 0.000 0.507 23 F N 8.253 128.154 119.950 -0.083 0.000 2.334 23 F HA 0.578 5.105 4.527 -0.000 0.000 0.367 23 F C -0.447 175.208 175.800 -0.241 0.000 1.115 23 F CA -0.375 57.339 58.000 -0.477 0.000 1.116 23 F CB 0.312 38.903 39.000 -0.681 0.000 1.230 23 F HN 0.178 nan 8.300 nan 0.000 0.484 24 I N 5.574 125.837 120.570 -0.511 0.000 2.569 24 I HA 0.207 4.377 4.170 -0.000 0.000 0.290 24 I C -0.337 175.526 176.117 -0.424 0.000 1.088 24 I CA -1.060 60.066 61.300 -0.290 0.000 1.047 24 I CB 1.796 39.826 38.000 0.049 0.000 1.237 24 I HN 0.470 nan 8.210 nan 0.000 0.421 25 N N 4.755 123.221 118.700 -0.390 0.000 2.727 25 N HA -0.246 4.494 4.740 -0.000 0.000 0.249 25 N C 0.113 175.336 175.510 -0.477 0.000 1.048 25 N CA 1.275 54.135 53.050 -0.317 0.000 0.714 25 N CB -1.068 37.332 38.487 -0.144 0.000 0.959 25 N HN 0.944 nan 8.380 nan 0.000 0.544 26 N N -2.028 116.133 118.700 -0.900 0.000 2.753 26 N HA -0.224 4.516 4.740 -0.000 0.000 0.251 26 N C -0.993 174.020 175.510 -0.828 0.000 1.097 26 N CA 1.044 53.544 53.050 -0.917 0.000 0.786 26 N CB -0.174 38.147 38.487 -0.276 0.000 1.137 26 N HN 0.419 nan 8.380 nan 0.000 0.566 27 E N -0.544 119.069 120.200 -0.980 0.000 2.277 27 E HA 0.328 4.678 4.350 -0.000 0.000 0.266 27 E C -0.697 175.300 176.600 -1.005 0.000 0.901 27 E CA -0.430 55.527 56.400 -0.738 0.000 0.782 27 E CB 0.816 30.221 29.700 -0.492 0.000 1.228 27 E HN 0.135 nan 8.360 nan 0.000 0.424 28 W N 1.775 122.811 121.300 -0.440 0.000 2.390 28 W HA 0.287 4.947 4.660 -0.000 0.000 0.312 28 W C 0.508 176.764 176.519 -0.438 0.000 1.123 28 W CA -0.295 56.879 57.345 -0.286 0.000 1.202 28 W CB 0.834 30.267 29.460 -0.045 0.000 1.251 28 W HN 0.250 nan 8.180 nan 0.000 0.511 29 H N 1.501 120.728 119.070 0.260 0.000 2.821 29 H HA 0.261 4.817 4.556 -0.000 0.000 0.373 29 H C -0.607 174.817 175.328 0.160 0.000 1.165 29 H CA -0.866 55.273 56.048 0.153 0.000 1.154 29 H CB 1.649 31.453 29.762 0.070 0.000 1.765 29 H HN 0.268 nan 8.280 nan 0.000 0.549 30 D N 0.417 120.965 120.400 0.247 0.000 2.354 30 D HA 0.339 4.979 4.640 -0.000 0.000 0.247 30 D C 0.396 176.785 176.300 0.148 0.000 1.138 30 D CA -0.413 53.685 54.000 0.163 0.000 0.958 30 D CB 1.445 42.313 40.800 0.114 0.000 1.144 30 D HN 0.614 nan 8.370 nan 0.000 0.458 31 A N 0.797 123.689 122.820 0.120 0.000 2.466 31 A HA 0.101 4.421 4.320 -0.000 0.000 0.238 31 A C 1.568 179.198 177.584 0.076 0.000 1.074 31 A CA -0.426 51.673 52.037 0.102 0.000 0.774 31 A CB 0.335 19.396 19.000 0.101 0.000 1.015 31 A HN 0.420 nan 8.150 nan 0.000 0.498 32 V N 2.109 122.057 119.914 0.058 0.000 2.392 32 V HA -0.255 3.865 4.120 -0.000 0.000 0.249 32 V C 2.686 178.807 176.094 0.044 0.000 1.059 32 V CA 2.810 65.133 62.300 0.039 0.000 1.051 32 V CB -0.845 30.994 31.823 0.026 0.000 0.658 32 V HN 1.121 nan 8.190 nan 0.000 0.455 33 S N -1.210 114.522 115.700 0.053 0.000 2.561 33 S HA -0.076 4.394 4.470 -0.000 0.000 0.225 33 S C 1.269 175.903 174.600 0.057 0.000 0.977 33 S CA 0.236 58.468 58.200 0.053 0.000 0.926 33 S CB -0.100 63.136 63.200 0.061 0.000 0.769 33 S HN 0.525 nan 8.310 nan 0.000 0.533 34 R N -0.294 120.243 120.500 0.062 0.000 3.954 34 R HA -0.099 4.240 4.340 -0.000 0.000 0.422 34 R C -0.686 175.653 176.300 0.066 0.000 1.091 34 R CA 1.063 57.199 56.100 0.061 0.000 1.168 34 R CB -2.200 28.130 30.300 0.050 0.000 1.752 34 R HN 0.556 nan 8.270 nan 0.000 0.547 35 K N 1.394 121.842 120.400 0.080 0.000 2.270 35 K HA 0.236 4.556 4.320 -0.000 0.000 0.276 35 K C 0.749 177.415 176.600 0.111 0.000 1.023 35 K CA 0.509 56.854 56.287 0.098 0.000 0.955 35 K CB 0.866 33.437 32.500 0.118 0.000 0.975 35 K HN 0.231 nan 8.250 nan 0.000 0.471 36 T N -0.721 113.897 114.554 0.108 0.000 2.916 36 T HA 0.705 5.055 4.350 -0.000 0.000 0.292 36 T C -0.715 174.083 174.700 0.164 0.000 1.064 36 T CA -1.004 61.142 62.100 0.075 0.000 1.011 36 T CB 0.752 69.607 68.868 -0.021 0.000 1.152 36 T HN 0.449 nan 8.240 nan 0.000 0.510 37 F N -0.940 119.012 119.950 0.004 0.000 2.588 37 F HA 0.857 5.384 4.527 -0.000 0.000 0.314 37 F C -3.125 172.694 175.800 0.031 0.000 1.069 37 F CA -2.942 55.085 58.000 0.045 0.000 0.931 37 F CB 1.528 40.536 39.000 0.013 0.000 1.260 37 F HN 0.406 nan 8.300 nan 0.000 0.465 38 P HA 0.187 nan 4.420 nan 0.000 0.288 38 P C -0.980 176.380 177.300 0.101 0.000 1.267 38 P CA -0.161 62.959 63.100 0.033 0.000 0.815 38 P CB 1.974 33.719 31.700 0.075 0.000 0.989 39 T N 2.032 116.580 114.554 -0.010 0.000 2.779 39 T HA 0.413 4.763 4.350 -0.000 0.000 0.280 39 T C -0.495 174.219 174.700 0.022 0.000 0.987 39 T CA -0.479 61.648 62.100 0.045 0.000 0.966 39 T CB 0.317 69.184 68.868 -0.002 0.000 0.933 39 T HN 0.075 nan 8.240 nan 0.000 0.442 40 V N 5.503 125.440 119.914 0.039 0.000 2.713 40 V HA 0.443 4.563 4.120 -0.000 0.000 0.307 40 V C 0.560 176.664 176.094 0.016 0.000 1.052 40 V CA -1.132 61.185 62.300 0.029 0.000 0.967 40 V CB 1.726 33.585 31.823 0.059 0.000 1.019 40 V HN 0.938 nan 8.190 nan 0.000 0.459 41 N N 4.826 123.530 118.700 0.006 0.000 2.439 41 N HA 0.209 4.949 4.740 -0.000 0.000 0.243 41 N C -1.480 174.020 175.510 -0.016 0.000 1.088 41 N CA -1.505 51.543 53.050 -0.004 0.000 0.940 41 N CB 1.302 39.790 38.487 0.000 0.000 1.180 41 N HN 0.433 nan 8.380 nan 0.000 0.505 42 P HA -0.101 nan 4.420 nan 0.000 0.223 42 P C 0.522 177.687 177.300 -0.224 0.000 1.144 42 P CA 0.994 64.106 63.100 0.020 0.000 0.783 42 P CB 0.364 32.060 31.700 -0.006 0.000 0.771 43 S N -0.667 114.932 115.700 -0.169 0.000 2.446 43 S HA -0.032 4.437 4.470 -0.000 0.000 0.225 43 S C 1.864 176.452 174.600 -0.020 0.000 1.016 43 S CA 1.699 59.833 58.200 -0.110 0.000 0.943 43 S CB -0.553 62.690 63.200 0.071 0.000 0.786 43 S HN 0.454 nan 8.310 nan 0.000 0.508 44 T N -3.155 111.347 114.554 -0.086 0.000 2.964 44 T HA 0.478 4.828 4.350 -0.000 0.000 0.249 44 T C 1.561 176.157 174.700 -0.174 0.000 1.000 44 T CA 0.856 62.906 62.100 -0.085 0.000 0.992 44 T CB 0.328 69.174 68.868 -0.037 0.000 1.087 44 T HN 0.492 nan 8.240 nan 0.000 0.489 45 G N 1.091 109.768 108.800 -0.206 0.000 2.175 45 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.244 45 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.244 45 G C -0.185 174.677 174.900 -0.064 0.000 0.982 45 G CA 0.074 45.056 45.100 -0.197 0.000 0.641 45 G HN 0.663 nan 8.290 nan 0.000 0.527 46 E N -0.001 120.168 120.200 -0.052 0.000 2.343 46 E HA 0.525 4.875 4.350 -0.000 0.000 0.269 46 E C 0.688 177.280 176.600 -0.013 0.000 1.047 46 E CA -0.412 55.971 56.400 -0.028 0.000 0.874 46 E CB 1.623 31.304 29.700 -0.032 0.000 1.033 46 E HN 0.177 nan 8.360 nan 0.000 0.409 47 V N 4.994 124.903 119.914 -0.009 0.000 2.585 47 V HA -0.043 4.077 4.120 -0.000 0.000 0.296 47 V C 1.306 177.385 176.094 -0.025 0.000 1.035 47 V CA 0.525 62.820 62.300 -0.008 0.000 1.084 47 V CB 0.486 32.305 31.823 -0.006 0.000 0.953 47 V HN 0.707 nan 8.190 nan 0.000 0.483 48 I N 3.654 124.205 120.570 -0.031 0.000 2.296 48 I HA 0.049 4.219 4.170 -0.000 0.000 0.242 48 I C 0.963 177.040 176.117 -0.066 0.000 1.087 48 I CA 1.335 62.607 61.300 -0.046 0.000 1.393 48 I CB 0.239 38.212 38.000 -0.044 0.000 1.093 48 I HN 0.880 nan 8.210 nan 0.000 0.421 49 C N -2.041 117.211 119.300 -0.079 0.000 3.216 49 C HA 0.424 4.884 4.460 -0.000 0.000 0.346 49 C C -1.248 173.660 174.990 -0.136 0.000 1.384 49 C CA -1.175 57.783 59.018 -0.100 0.000 1.208 49 C CB 1.296 28.967 27.740 -0.115 0.000 1.483 49 C HN 0.162 nan 8.230 nan 0.000 0.453 50 Q N 0.609 120.321 119.800 -0.147 0.000 2.230 50 Q HA 0.737 5.077 4.340 -0.000 0.000 0.248 50 Q C -0.663 175.160 176.000 -0.295 0.000 0.915 50 Q CA -0.196 55.485 55.803 -0.203 0.000 0.900 50 Q CB 1.895 30.558 28.738 -0.125 0.000 1.229 50 Q HN 0.738 nan 8.270 nan 0.000 0.439 51 V N 0.779 120.377 119.914 -0.528 0.000 2.709 51 V HA 0.476 4.596 4.120 -0.000 0.000 0.308 51 V C -0.386 175.436 176.094 -0.454 0.000 1.062 51 V CA -1.255 60.700 62.300 -0.574 0.000 0.901 51 V CB 1.867 33.143 31.823 -0.913 0.000 1.003 51 V HN 0.895 nan 8.190 nan 0.000 0.425 52 A N 2.905 125.649 122.820 -0.127 0.000 2.566 52 A HA 0.154 4.474 4.320 -0.000 0.000 0.245 52 A C 0.415 178.110 177.584 0.184 0.000 1.056 52 A CA 0.345 52.408 52.037 0.044 0.000 0.757 52 A CB -0.110 18.957 19.000 0.112 0.000 0.979 52 A HN 0.891 nan 8.150 nan 0.000 0.508 53 E N 3.013 123.350 120.200 0.228 0.000 1.963 53 E HA 0.354 4.704 4.350 -0.000 0.000 0.274 53 E C 0.583 177.246 176.600 0.106 0.000 1.061 53 E CA -0.264 56.277 56.400 0.235 0.000 0.847 53 E CB 0.281 30.106 29.700 0.208 0.000 1.083 53 E HN 0.787 nan 8.360 nan 0.000 0.402 54 G N 3.578 112.430 108.800 0.086 0.000 2.432 54 G HA2 0.083 4.043 3.960 -0.000 0.000 0.257 54 G HA3 0.083 4.043 3.960 -0.000 0.000 0.257 54 G C -0.355 174.574 174.900 0.048 0.000 1.238 54 G CA -0.280 44.865 45.100 0.074 0.000 0.838 54 G HN 0.553 nan 8.290 nan 0.000 0.547 55 D N -0.083 120.355 120.400 0.062 0.000 2.758 55 D HA 0.215 4.855 4.640 -0.000 0.000 0.279 55 D C 1.353 177.689 176.300 0.061 0.000 1.111 55 D CA -0.826 53.212 54.000 0.063 0.000 1.109 55 D CB 1.819 42.660 40.800 0.068 0.000 1.428 55 D HN 0.280 nan 8.370 nan 0.000 0.586 56 K N 0.269 120.703 120.400 0.056 0.000 2.059 56 K HA -0.209 4.111 4.320 -0.000 0.000 0.212 56 K C 1.516 178.150 176.600 0.057 0.000 1.050 56 K CA 1.779 58.099 56.287 0.055 0.000 0.927 56 K CB 0.046 32.566 32.500 0.033 0.000 0.714 56 K HN 0.338 nan 8.250 nan 0.000 0.447 57 E N 0.021 120.248 120.200 0.044 0.000 2.153 57 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 57 E C 1.587 178.210 176.600 0.039 0.000 0.988 57 E CA 1.286 57.708 56.400 0.037 0.000 0.811 57 E CB 0.041 29.757 29.700 0.027 0.000 0.746 57 E HN 0.446 nan 8.360 nan 0.000 0.466 58 D N 0.075 120.502 120.400 0.046 0.000 2.162 58 D HA -0.088 4.551 4.640 -0.000 0.000 0.203 58 D C 2.096 178.425 176.300 0.048 0.000 0.967 58 D CA 0.641 54.668 54.000 0.044 0.000 0.840 58 D CB 0.098 40.936 40.800 0.063 0.000 0.972 58 D HN 0.050 nan 8.370 nan 0.000 0.482 59 V N 2.131 122.085 119.914 0.065 0.000 2.343 59 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 59 V C 1.961 178.100 176.094 0.076 0.000 1.051 59 V CA 1.639 63.982 62.300 0.072 0.000 1.036 59 V CB -0.385 31.500 31.823 0.103 0.000 0.654 59 V HN 0.041 nan 8.190 nan 0.000 0.451 60 D N 0.159 120.632 120.400 0.122 0.000 2.123 60 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 60 D C 2.238 178.577 176.300 0.065 0.000 0.992 60 D CA 1.307 55.408 54.000 0.168 0.000 0.833 60 D CB -0.211 40.672 40.800 0.138 0.000 0.954 60 D HN 0.425 nan 8.370 nan 0.000 0.455 61 K N 0.586 121.001 120.400 0.024 0.000 2.097 61 K HA -0.053 4.267 4.320 -0.000 0.000 0.206 61 K C 2.124 178.707 176.600 -0.029 0.000 1.049 61 K CA 1.158 57.434 56.287 -0.018 0.000 0.933 61 K CB -0.051 32.416 32.500 -0.054 0.000 0.717 61 K HN 0.032 nan 8.250 nan 0.000 0.442 62 A N 0.822 123.629 122.820 -0.020 0.000 1.898 62 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 62 A C 2.339 179.886 177.584 -0.062 0.000 1.181 62 A CA 1.226 53.243 52.037 -0.033 0.000 0.620 62 A CB -0.537 18.456 19.000 -0.011 0.000 0.819 62 A HN 0.063 nan 8.150 nan 0.000 0.442 63 V N 0.390 120.246 119.914 -0.097 0.000 2.343 63 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 63 V C 2.410 178.445 176.094 -0.099 0.000 1.051 63 V CA 2.274 64.468 62.300 -0.178 0.000 1.036 63 V CB -0.671 30.872 31.823 -0.466 0.000 0.654 63 V HN 0.530 nan 8.190 nan 0.000 0.451 64 K N 0.330 120.702 120.400 -0.046 0.000 2.097 64 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 64 K C 2.301 178.896 176.600 -0.010 0.000 1.049 64 K CA 1.429 57.709 56.287 -0.010 0.000 0.933 64 K CB -0.375 32.129 32.500 0.006 0.000 0.717 64 K HN 0.478 nan 8.250 nan 0.000 0.442 65 A N 1.594 124.397 122.820 -0.027 0.000 1.930 65 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 65 A C 2.377 179.951 177.584 -0.017 0.000 1.175 65 A CA 1.708 53.727 52.037 -0.029 0.000 0.627 65 A CB -0.545 18.422 19.000 -0.056 0.000 0.815 65 A HN 0.317 nan 8.150 nan 0.000 0.443 66 A N -0.153 122.651 122.820 -0.026 0.000 1.873 66 A HA -0.114 4.206 4.320 -0.000 0.000 0.215 66 A C 2.178 179.799 177.584 0.060 0.000 1.186 66 A CA 2.035 54.066 52.037 -0.009 0.000 0.616 66 A CB -0.443 18.527 19.000 -0.049 0.000 0.823 66 A HN 0.439 nan 8.150 nan 0.000 0.442 67 R N 0.375 120.900 120.500 0.041 0.000 2.091 67 R HA -0.057 4.283 4.340 -0.000 0.000 0.238 67 R C 2.120 178.508 176.300 0.147 0.000 1.136 67 R CA 2.066 58.225 56.100 0.100 0.000 0.959 67 R CB -0.985 29.347 30.300 0.053 0.000 0.856 67 R HN 0.392 nan 8.270 nan 0.000 0.437 68 A N 0.141 123.015 122.820 0.090 0.000 1.902 68 A HA -0.025 4.294 4.320 -0.000 0.000 0.217 68 A C 2.342 179.989 177.584 0.106 0.000 1.181 68 A CA 1.792 53.878 52.037 0.081 0.000 0.623 68 A CB -1.031 17.995 19.000 0.043 0.000 0.818 68 A HN 0.484 nan 8.150 nan 0.000 0.443 69 A N -2.139 120.751 122.820 0.116 0.000 2.067 69 A HA 0.054 4.374 4.320 -0.000 0.000 0.219 69 A C 1.803 179.544 177.584 0.261 0.000 1.158 69 A CA 1.287 53.410 52.037 0.143 0.000 0.661 69 A CB -0.542 18.502 19.000 0.073 0.000 0.801 69 A HN 0.587 nan 8.150 nan 0.000 0.452 70 F N 0.305 120.330 119.950 0.126 0.000 2.776 70 F HA 0.168 4.695 4.527 -0.000 0.000 0.300 70 F C 0.778 176.650 175.800 0.120 0.000 1.116 70 F CA -0.106 57.994 58.000 0.167 0.000 1.375 70 F CB 0.123 39.204 39.000 0.135 0.000 1.109 70 F HN 0.099 nan 8.300 nan 0.000 0.585 71 Q N 1.509 121.359 119.800 0.083 0.000 2.349 71 Q HA 0.007 4.347 4.340 -0.000 0.000 0.287 71 Q C -0.207 175.742 176.000 -0.086 0.000 1.044 71 Q CA -0.044 55.765 55.803 0.010 0.000 0.918 71 Q CB 0.577 29.342 28.738 0.045 0.000 1.242 71 Q HN 0.225 nan 8.270 nan 0.000 0.405 72 L N 1.410 122.579 121.223 -0.091 0.000 2.540 72 L HA 0.151 4.491 4.340 -0.000 0.000 0.276 72 L C 1.257 178.093 176.870 -0.056 0.000 1.212 72 L CA 2.139 56.919 54.840 -0.100 0.000 0.893 72 L CB 0.109 42.131 42.059 -0.061 0.000 1.138 72 L HN 0.916 nan 8.230 nan 0.000 0.491 73 G N 1.903 110.667 108.800 -0.060 0.000 2.175 73 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.244 73 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.244 73 G C 0.332 175.224 174.900 -0.014 0.000 0.982 73 G CA 0.338 45.419 45.100 -0.032 0.000 0.641 73 G HN 1.080 nan 8.290 nan 0.000 0.527 74 S N 0.255 115.951 115.700 -0.008 0.000 2.614 74 S HA 0.596 5.066 4.470 -0.000 0.000 0.265 74 S C -0.651 173.983 174.600 0.057 0.000 1.303 74 S CA -0.341 57.881 58.200 0.037 0.000 1.000 74 S CB 1.943 65.185 63.200 0.070 0.000 0.935 74 S HN -0.018 nan 8.310 nan 0.000 0.551 75 P HA -0.099 nan 4.420 nan 0.000 0.216 75 P C 1.203 178.615 177.300 0.187 0.000 1.150 75 P CA 1.172 64.338 63.100 0.110 0.000 0.837 75 P CB -0.079 31.693 31.700 0.121 0.000 0.786 76 W N -0.055 121.260 121.300 0.026 0.000 2.436 76 W HA -0.092 4.568 4.660 -0.000 0.000 0.284 76 W C 1.573 178.103 176.519 0.017 0.000 1.225 76 W CA 0.568 57.946 57.345 0.054 0.000 1.271 76 W CB -0.029 29.492 29.460 0.102 0.000 1.114 76 W HN -0.152 nan 8.180 nan 0.000 0.559 77 R N 0.374 120.854 120.500 -0.034 0.000 2.093 77 R HA -0.005 4.335 4.340 -0.000 0.000 0.224 77 R C 2.074 178.273 176.300 -0.168 0.000 1.101 77 R CA 0.864 56.843 56.100 -0.201 0.000 0.979 77 R CB -0.648 29.522 30.300 -0.217 0.000 0.877 77 R HN 0.275 nan 8.270 nan 0.000 0.441 78 R N -0.084 120.358 120.500 -0.096 0.000 2.240 78 R HA 0.150 4.490 4.340 -0.000 0.000 0.203 78 R C 1.085 177.331 176.300 -0.091 0.000 1.011 78 R CA -0.141 55.911 56.100 -0.080 0.000 1.007 78 R CB -0.036 30.235 30.300 -0.048 0.000 0.911 78 R HN 0.104 nan 8.270 nan 0.000 0.468 79 M N 2.320 121.856 119.600 -0.106 0.000 2.260 79 M HA -0.056 4.424 4.480 -0.000 0.000 0.348 79 M C -0.734 175.498 176.300 -0.113 0.000 1.342 79 M CA 0.393 55.631 55.300 -0.103 0.000 1.040 79 M CB 0.502 33.056 32.600 -0.077 0.000 1.810 79 M HN -0.065 nan 8.290 nan 0.000 0.453 80 D N 4.227 124.590 120.400 -0.061 0.000 2.488 80 D HA 0.056 4.696 4.640 -0.000 0.000 0.238 80 D C 0.873 177.159 176.300 -0.024 0.000 1.138 80 D CA 0.538 54.519 54.000 -0.031 0.000 0.873 80 D CB 1.061 41.862 40.800 0.001 0.000 1.183 80 D HN 0.780 nan 8.370 nan 0.000 0.458 81 A N 2.551 125.351 122.820 -0.033 0.000 1.948 81 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 81 A C 2.140 179.727 177.584 0.005 0.000 1.177 81 A CA 2.245 54.265 52.037 -0.029 0.000 0.636 81 A CB -0.567 18.435 19.000 0.004 0.000 0.815 81 A HN 0.604 nan 8.150 nan 0.000 0.449 82 S N -1.178 114.537 115.700 0.025 0.000 2.399 82 S HA -0.246 4.224 4.470 -0.000 0.000 0.231 82 S C 1.847 176.468 174.600 0.034 0.000 1.022 82 S CA 1.573 59.791 58.200 0.030 0.000 0.983 82 S CB -0.733 62.488 63.200 0.034 0.000 0.803 82 S HN 0.742 nan 8.310 nan 0.000 0.480 83 H N 1.258 120.306 119.070 -0.036 0.000 2.428 83 H HA 0.235 4.791 4.556 -0.000 0.000 0.296 83 H C 2.340 177.645 175.328 -0.039 0.000 1.062 83 H CA 1.412 57.436 56.048 -0.039 0.000 1.350 83 H CB -0.098 29.637 29.762 -0.046 0.000 1.403 83 H HN 0.338 nan 8.280 nan 0.000 0.533 84 R N -0.806 119.680 120.500 -0.023 0.000 2.096 84 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 84 R C 2.514 178.827 176.300 0.022 0.000 1.127 84 R CA 1.118 57.216 56.100 -0.003 0.000 0.968 84 R CB -0.388 29.879 30.300 -0.055 0.000 0.861 84 R HN 0.457 nan 8.270 nan 0.000 0.440 85 G N 0.604 109.406 108.800 0.003 0.000 2.418 85 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 85 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 85 G C 1.311 176.190 174.900 -0.035 0.000 1.158 85 G CA 0.260 45.371 45.100 0.017 0.000 0.771 85 G HN 0.142 nan 8.290 nan 0.000 0.545 86 R N 0.166 120.587 120.500 -0.131 0.000 2.081 86 R HA 0.063 4.403 4.340 -0.000 0.000 0.235 86 R C 2.616 178.784 176.300 -0.220 0.000 1.131 86 R CA 0.622 56.605 56.100 -0.194 0.000 0.960 86 R CB -0.984 29.117 30.300 -0.332 0.000 0.856 86 R HN 0.399 nan 8.270 nan 0.000 0.436 87 L N 0.404 121.434 121.223 -0.321 0.000 2.056 87 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 87 L C 2.514 179.348 176.870 -0.059 0.000 1.078 87 L CA 0.910 55.516 54.840 -0.390 0.000 0.749 87 L CB -0.441 41.102 42.059 -0.859 0.000 0.901 87 L HN 0.105 nan 8.230 nan 0.000 0.433 88 L N -0.259 121.043 121.223 0.131 0.000 2.083 88 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 88 L C 2.328 179.297 176.870 0.164 0.000 1.083 88 L CA 0.981 55.987 54.840 0.277 0.000 0.752 88 L CB -0.488 41.725 42.059 0.257 0.000 0.899 88 L HN 0.364 nan 8.230 nan 0.000 0.433 89 N N -0.210 118.538 118.700 0.081 0.000 2.270 89 N HA -0.170 4.570 4.740 -0.000 0.000 0.181 89 N C 1.934 177.477 175.510 0.055 0.000 1.016 89 N CA 0.785 53.870 53.050 0.059 0.000 0.870 89 N CB -0.135 38.366 38.487 0.023 0.000 0.979 89 N HN 0.158 nan 8.380 nan 0.000 0.431 90 R N 1.214 121.735 120.500 0.036 0.000 2.092 90 R HA 0.015 4.355 4.340 -0.000 0.000 0.231 90 R C 1.985 178.337 176.300 0.086 0.000 1.119 90 R CA 0.716 56.838 56.100 0.036 0.000 0.970 90 R CB -0.902 29.391 30.300 -0.010 0.000 0.864 90 R HN 0.144 nan 8.270 nan 0.000 0.440 91 L N 0.287 121.600 121.223 0.150 0.000 2.046 91 L HA 0.040 4.380 4.340 -0.000 0.000 0.208 91 L C 2.080 179.021 176.870 0.119 0.000 1.077 91 L CA 2.257 57.201 54.840 0.174 0.000 0.747 91 L CB -1.081 41.134 42.059 0.259 0.000 0.896 91 L HN 0.255 nan 8.230 nan 0.000 0.432 92 A N -0.834 122.054 122.820 0.115 0.000 1.902 92 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 92 A C 1.991 179.623 177.584 0.080 0.000 1.181 92 A CA 1.887 53.981 52.037 0.096 0.000 0.623 92 A CB -0.837 18.220 19.000 0.094 0.000 0.818 92 A HN 0.543 nan 8.150 nan 0.000 0.443 93 D N 0.050 120.493 120.400 0.073 0.000 2.144 93 D HA -0.100 4.540 4.640 -0.000 0.000 0.199 93 D C 1.929 178.272 176.300 0.071 0.000 0.984 93 D CA 0.970 55.008 54.000 0.063 0.000 0.834 93 D CB -0.297 40.533 40.800 0.051 0.000 0.955 93 D HN 0.474 nan 8.370 nan 0.000 0.465 94 L N 0.331 121.600 121.223 0.076 0.000 2.109 94 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 94 L C 2.483 179.419 176.870 0.110 0.000 1.086 94 L CA 0.583 55.471 54.840 0.081 0.000 0.760 94 L CB -0.210 41.888 42.059 0.066 0.000 0.910 94 L HN 0.004 nan 8.230 nan 0.000 0.437 95 I N -0.158 120.478 120.570 0.110 0.000 2.315 95 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 95 I C 2.554 178.743 176.117 0.119 0.000 1.117 95 I CA 1.232 62.611 61.300 0.133 0.000 1.404 95 I CB -0.172 37.893 38.000 0.109 0.000 1.071 95 I HN 0.341 nan 8.210 nan 0.000 0.419 96 E N 1.318 121.571 120.200 0.089 0.000 2.107 96 E HA -0.244 4.106 4.350 -0.000 0.000 0.191 96 E C 2.387 179.046 176.600 0.098 0.000 0.982 96 E CA 0.734 57.176 56.400 0.071 0.000 0.809 96 E CB 0.021 29.755 29.700 0.056 0.000 0.756 96 E HN 0.257 nan 8.360 nan 0.000 0.459 97 R N 0.336 120.899 120.500 0.105 0.000 2.096 97 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 97 R C 0.297 176.684 176.300 0.145 0.000 1.127 97 R CA 1.764 57.930 56.100 0.110 0.000 0.968 97 R CB 0.063 30.419 30.300 0.093 0.000 0.861 97 R HN 0.130 nan 8.270 nan 0.000 0.440 98 D N -0.237 120.273 120.400 0.183 0.000 2.491 98 D HA 0.034 4.674 4.640 -0.000 0.000 0.228 98 D C 0.969 177.431 176.300 0.269 0.000 1.183 98 D CA -0.075 54.075 54.000 0.248 0.000 0.827 98 D CB 0.284 41.292 40.800 0.347 0.000 0.989 98 D HN 0.227 nan 8.370 nan 0.000 0.494 99 R N 0.810 121.433 120.500 0.206 0.000 2.080 99 R HA -0.174 4.166 4.340 -0.000 0.000 0.236 99 R C 2.072 178.543 176.300 0.285 0.000 1.137 99 R CA 2.251 58.444 56.100 0.156 0.000 0.943 99 R CB -0.242 30.078 30.300 0.033 0.000 0.846 99 R HN 0.234 nan 8.270 nan 0.000 0.431 100 T N -1.730 113.078 114.554 0.423 0.000 2.788 100 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 100 T C 1.862 176.804 174.700 0.404 0.000 1.044 100 T CA 1.446 63.849 62.100 0.505 0.000 1.139 100 T CB -0.683 68.417 68.868 0.386 0.000 0.867 100 T HN 0.492 nan 8.240 nan 0.000 0.454 101 Y N 1.925 122.342 120.300 0.194 0.000 2.133 101 Y HA 0.120 4.670 4.550 -0.000 0.000 0.287 101 Y C 2.179 178.137 175.900 0.097 0.000 1.134 101 Y CA 1.050 59.213 58.100 0.105 0.000 1.133 101 Y CB -0.540 37.928 38.460 0.013 0.000 0.987 101 Y HN 0.164 nan 8.280 nan 0.000 0.502 102 L N -0.081 121.155 121.223 0.023 0.000 2.131 102 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 102 L C 2.718 179.583 176.870 -0.008 0.000 1.092 102 L CA 1.142 55.947 54.840 -0.058 0.000 0.759 102 L CB -0.826 41.312 42.059 0.132 0.000 0.903 102 L HN 0.410 nan 8.230 nan 0.000 0.435 103 A N -0.346 122.546 122.820 0.120 0.000 1.968 103 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 103 A C 2.473 180.232 177.584 0.291 0.000 1.169 103 A CA 1.451 53.584 52.037 0.159 0.000 0.638 103 A CB -0.463 18.643 19.000 0.177 0.000 0.812 103 A HN 0.391 nan 8.150 nan 0.000 0.446 104 A N -0.614 122.433 122.820 0.378 0.000 1.898 104 A HA 0.090 4.410 4.320 -0.000 0.000 0.214 104 A C 2.045 179.745 177.584 0.194 0.000 1.183 104 A CA 1.477 53.771 52.037 0.427 0.000 0.622 104 A CB -0.534 18.621 19.000 0.257 0.000 0.824 104 A HN 0.575 nan 8.150 nan 0.000 0.444 105 L N -0.025 121.143 121.223 -0.092 0.000 2.141 105 L HA -0.093 4.247 4.340 -0.000 0.000 0.209 105 L C 2.148 178.981 176.870 -0.062 0.000 1.094 105 L CA 2.517 57.253 54.840 -0.173 0.000 0.763 105 L CB -0.529 41.255 42.059 -0.457 0.000 0.908 105 L HN 0.506 nan 8.230 nan 0.000 0.437 106 E N -1.128 119.051 120.200 -0.035 0.000 2.047 106 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 106 E C 2.037 178.612 176.600 -0.042 0.000 0.987 106 E CA 1.901 58.288 56.400 -0.023 0.000 0.799 106 E CB -0.295 29.399 29.700 -0.009 0.000 0.752 106 E HN 0.443 nan 8.360 nan 0.000 0.449 107 T N 0.761 115.284 114.554 -0.053 0.000 2.746 107 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 107 T C 1.712 176.318 174.700 -0.158 0.000 1.039 107 T CA 1.181 63.169 62.100 -0.187 0.000 1.142 107 T CB -0.347 68.255 68.868 -0.443 0.000 0.866 107 T HN 0.123 nan 8.240 nan 0.000 0.444 108 L N 1.192 122.416 121.223 0.002 0.000 2.046 108 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 108 L C 2.020 178.897 176.870 0.011 0.000 1.077 108 L CA 1.891 56.786 54.840 0.091 0.000 0.747 108 L CB -0.392 41.752 42.059 0.142 0.000 0.896 108 L HN 0.078 nan 8.230 nan 0.000 0.432 109 D N -1.622 118.772 120.400 -0.010 0.000 2.213 109 D HA -0.133 4.507 4.640 -0.000 0.000 0.205 109 D C 1.888 178.171 176.300 -0.029 0.000 0.961 109 D CA 0.682 54.673 54.000 -0.013 0.000 0.853 109 D CB 0.042 40.841 40.800 -0.002 0.000 0.967 109 D HN 0.423 nan 8.370 nan 0.000 0.496 110 N N -0.729 117.943 118.700 -0.047 0.000 2.439 110 N HA -0.020 4.720 4.740 -0.000 0.000 0.176 110 N C 1.356 176.800 175.510 -0.109 0.000 1.029 110 N CA 1.524 54.536 53.050 -0.063 0.000 0.886 110 N CB 0.851 39.302 38.487 -0.060 0.000 1.057 110 N HN 0.239 nan 8.380 nan 0.000 0.437 111 G N 1.455 110.177 108.800 -0.130 0.000 2.232 111 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.226 111 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.226 111 G C -0.067 174.733 174.900 -0.166 0.000 0.996 111 G CA 0.395 45.399 45.100 -0.159 0.000 0.626 111 G HN 0.666 nan 8.290 nan 0.000 0.509 112 K N 1.023 121.321 120.400 -0.170 0.000 2.319 112 K HA 0.477 4.797 4.320 -0.000 0.000 0.265 112 K C -2.704 173.809 176.600 -0.144 0.000 1.000 112 K CA -1.304 54.883 56.287 -0.165 0.000 0.943 112 K CB 0.488 32.868 32.500 -0.200 0.000 0.950 112 K HN 0.073 nan 8.250 nan 0.000 0.485 113 P HA -0.113 nan 4.420 nan 0.000 0.264 113 P C -0.291 176.987 177.300 -0.037 0.000 1.193 113 P CA -0.017 63.055 63.100 -0.048 0.000 0.763 113 P CB 0.135 31.846 31.700 0.018 0.000 0.810 114 Y N 4.927 125.123 120.300 -0.173 0.000 2.114 114 Y HA -0.278 4.272 4.550 -0.000 0.000 0.282 114 Y C 1.858 177.793 175.900 0.059 0.000 1.165 114 Y CA 1.839 59.885 58.100 -0.091 0.000 1.148 114 Y CB -0.938 37.495 38.460 -0.045 0.000 0.972 114 Y HN 0.085 nan 8.280 nan 0.000 0.504 115 V N 0.523 120.419 119.914 -0.030 0.000 2.392 115 V HA -0.345 3.775 4.120 -0.000 0.000 0.249 115 V C 2.346 178.430 176.094 -0.017 0.000 1.059 115 V CA 1.858 64.126 62.300 -0.054 0.000 1.051 115 V CB -0.689 31.177 31.823 0.071 0.000 0.658 115 V HN 0.459 nan 8.190 nan 0.000 0.455 116 I N -0.368 120.217 120.570 0.025 0.000 2.286 116 I HA -0.117 4.053 4.170 -0.000 0.000 0.245 116 I C 2.583 178.731 176.117 0.050 0.000 1.104 116 I CA 1.319 62.674 61.300 0.093 0.000 1.397 116 I CB -1.477 36.606 38.000 0.140 0.000 1.072 116 I HN 0.257 nan 8.210 nan 0.000 0.417 117 S N 0.288 115.969 115.700 -0.031 0.000 2.359 117 S HA -0.243 4.227 4.470 -0.000 0.000 0.224 117 S C 2.055 176.619 174.600 -0.061 0.000 1.035 117 S CA 1.528 59.703 58.200 -0.041 0.000 1.018 117 S CB -0.500 62.665 63.200 -0.060 0.000 0.876 117 S HN 0.457 nan 8.310 nan 0.000 0.448 118 Y N 1.588 121.714 120.300 -0.289 0.000 2.153 118 Y HA 0.010 4.560 4.550 -0.000 0.000 0.289 118 Y C 1.956 177.799 175.900 -0.096 0.000 1.127 118 Y CA 1.424 59.374 58.100 -0.249 0.000 1.131 118 Y CB -0.229 37.943 38.460 -0.480 0.000 0.995 118 Y HN 0.122 nan 8.280 nan 0.000 0.505 119 L N -1.392 119.899 121.223 0.114 0.000 2.240 119 L HA -0.104 4.236 4.340 -0.000 0.000 0.211 119 L C 1.771 178.673 176.870 0.053 0.000 1.106 119 L CA 0.508 55.407 54.840 0.098 0.000 0.793 119 L CB -0.259 41.887 42.059 0.145 0.000 0.927 119 L HN 0.166 nan 8.230 nan 0.000 0.446 120 V N -0.978 118.984 119.914 0.079 0.000 2.635 120 V HA -0.064 4.056 4.120 -0.000 0.000 0.233 120 V C 1.666 177.817 176.094 0.095 0.000 1.097 120 V CA 0.992 63.364 62.300 0.121 0.000 1.134 120 V CB -0.260 31.709 31.823 0.243 0.000 0.841 120 V HN 0.198 nan 8.190 nan 0.000 0.496 121 D N 0.800 121.263 120.400 0.106 0.000 2.103 121 D HA -0.210 4.430 4.640 -0.000 0.000 0.190 121 D C 1.988 178.302 176.300 0.022 0.000 0.997 121 D CA 1.617 55.665 54.000 0.079 0.000 0.833 121 D CB -0.283 40.569 40.800 0.087 0.000 0.961 121 D HN 0.196 nan 8.370 nan 0.000 0.447 122 L N 0.197 121.402 121.223 -0.031 0.000 2.131 122 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 122 L C 1.855 178.691 176.870 -0.057 0.000 1.092 122 L CA 1.256 56.059 54.840 -0.062 0.000 0.759 122 L CB -0.286 41.685 42.059 -0.146 0.000 0.903 122 L HN 0.023 nan 8.230 nan 0.000 0.435 123 D N -0.488 119.872 120.400 -0.066 0.000 2.097 123 D HA -0.233 4.407 4.640 -0.000 0.000 0.195 123 D C 2.237 178.552 176.300 0.024 0.000 0.989 123 D CA 1.566 55.547 54.000 -0.031 0.000 0.827 123 D CB 0.032 40.822 40.800 -0.017 0.000 0.966 123 D HN 0.209 nan 8.370 nan 0.000 0.456 124 M N -0.608 119.020 119.600 0.047 0.000 2.229 124 M HA -0.092 4.388 4.480 -0.000 0.000 0.264 124 M C 2.179 178.548 176.300 0.115 0.000 1.063 124 M CA 0.541 55.894 55.300 0.087 0.000 1.114 124 M CB 0.090 32.747 32.600 0.095 0.000 1.387 124 M HN -0.017 nan 8.290 nan 0.000 0.420 125 V N 0.868 120.834 119.914 0.086 0.000 2.295 125 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 125 V C 2.264 178.425 176.094 0.112 0.000 1.049 125 V CA 1.668 64.031 62.300 0.104 0.000 1.024 125 V CB -0.578 31.285 31.823 0.067 0.000 0.648 125 V HN 0.456 nan 8.190 nan 0.000 0.447 126 L N -0.610 120.660 121.223 0.077 0.000 2.046 126 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 126 L C 2.548 179.475 176.870 0.095 0.000 1.077 126 L CA 1.736 56.622 54.840 0.076 0.000 0.747 126 L CB -0.608 41.477 42.059 0.042 0.000 0.896 126 L HN 0.271 nan 8.230 nan 0.000 0.432 127 K N -0.982 119.472 120.400 0.091 0.000 2.155 127 K HA -0.159 4.161 4.320 -0.000 0.000 0.203 127 K C 2.287 178.968 176.600 0.135 0.000 1.052 127 K CA 1.300 57.644 56.287 0.094 0.000 0.948 127 K CB -0.333 32.205 32.500 0.064 0.000 0.728 127 K HN 0.369 nan 8.250 nan 0.000 0.448 128 C N 1.102 120.502 119.300 0.166 0.000 2.462 128 C HA -0.029 4.431 4.460 -0.000 0.000 0.278 128 C C 2.383 177.566 174.990 0.323 0.000 1.253 128 C CA 0.547 59.708 59.018 0.238 0.000 1.713 128 C CB -0.880 27.045 27.740 0.309 0.000 2.049 128 C HN 0.400 nan 8.230 nan 0.000 0.477 129 L N 0.307 121.684 121.223 0.257 0.000 2.083 129 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 129 L C 2.969 179.968 176.870 0.216 0.000 1.083 129 L CA 1.685 56.671 54.840 0.243 0.000 0.752 129 L CB -0.696 41.469 42.059 0.177 0.000 0.899 129 L HN 0.365 nan 8.230 nan 0.000 0.433 130 R N -1.449 119.152 120.500 0.168 0.000 2.115 130 R HA -0.159 4.180 4.340 -0.000 0.000 0.226 130 R C 2.247 178.607 176.300 0.100 0.000 1.100 130 R CA 1.090 57.260 56.100 0.117 0.000 0.980 130 R CB -0.318 30.035 30.300 0.088 0.000 0.875 130 R HN 0.267 nan 8.270 nan 0.000 0.445 131 Y N 0.128 120.427 120.300 -0.002 0.000 2.133 131 Y HA -0.248 4.302 4.550 -0.000 0.000 0.287 131 Y C 1.565 177.406 175.900 -0.098 0.000 1.134 131 Y CA 1.466 59.498 58.100 -0.112 0.000 1.133 131 Y CB -0.419 37.920 38.460 -0.203 0.000 0.987 131 Y HN -0.007 nan 8.280 nan 0.000 0.502 132 Y N -0.277 120.087 120.300 0.107 0.000 2.439 132 Y HA -0.079 4.471 4.550 -0.000 0.000 0.292 132 Y C 2.551 178.482 175.900 0.052 0.000 1.130 132 Y CA 0.554 58.705 58.100 0.086 0.000 1.254 132 Y CB -0.395 38.168 38.460 0.171 0.000 1.000 132 Y HN 0.285 nan 8.280 nan 0.000 0.554 133 A N 0.011 122.928 122.820 0.160 0.000 1.972 133 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 133 A C 2.476 180.073 177.584 0.020 0.000 1.169 133 A CA 1.706 53.806 52.037 0.106 0.000 0.635 133 A CB -1.295 17.753 19.000 0.080 0.000 0.810 133 A HN 0.460 nan 8.150 nan 0.000 0.446 134 G N -2.447 106.292 108.800 -0.101 0.000 2.484 134 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.218 134 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.218 134 G C 1.326 176.084 174.900 -0.237 0.000 1.130 134 G CA 0.561 45.532 45.100 -0.216 0.000 0.784 134 G HN 0.680 nan 8.290 nan 0.000 0.543 135 W N 0.621 121.818 121.300 -0.172 0.000 2.584 135 W HA 0.258 4.918 4.660 -0.000 0.000 0.264 135 W C 2.752 179.251 176.519 -0.034 0.000 1.264 135 W CA 0.224 57.497 57.345 -0.120 0.000 1.306 135 W CB 0.322 29.725 29.460 -0.096 0.000 1.110 135 W HN 0.249 nan 8.180 nan 0.000 0.606 136 A N 1.166 124.127 122.820 0.235 0.000 1.940 136 A HA -0.305 4.015 4.320 -0.000 0.000 0.221 136 A C 1.239 178.897 177.584 0.122 0.000 1.190 136 A CA 2.500 54.629 52.037 0.153 0.000 0.647 136 A CB -0.854 18.205 19.000 0.098 0.000 0.821 136 A HN 0.386 nan 8.150 nan 0.000 0.457 137 D N -2.639 117.822 120.400 0.101 0.000 2.696 137 D HA 0.251 4.891 4.640 -0.000 0.000 0.269 137 D C 0.409 176.745 176.300 0.059 0.000 1.319 137 D CA -0.105 53.940 54.000 0.075 0.000 0.826 137 D CB 0.017 40.846 40.800 0.048 0.000 1.086 137 D HN 0.463 nan 8.370 nan 0.000 0.481 138 K N -0.677 119.781 120.400 0.097 0.000 2.517 138 K HA 0.064 4.384 4.320 -0.000 0.000 0.210 138 K C -0.488 176.048 176.600 -0.108 0.000 1.166 138 K CA -0.481 55.766 56.287 -0.067 0.000 1.030 138 K CB 0.819 33.318 32.500 -0.002 0.000 0.974 138 K HN -0.034 nan 8.250 nan 0.000 0.585 139 Y N 3.039 123.309 120.300 -0.050 0.000 2.636 139 Y HA 0.138 4.688 4.550 -0.000 0.000 0.334 139 Y C -0.415 175.431 175.900 -0.089 0.000 1.286 139 Y CA -1.213 56.849 58.100 -0.063 0.000 1.688 139 Y CB -0.970 37.474 38.460 -0.027 0.000 1.662 139 Y HN 0.082 nan 8.280 nan 0.000 0.465 140 H N 0.931 119.960 119.070 -0.068 0.000 2.790 140 H HA 0.363 4.919 4.556 -0.000 0.000 0.358 140 H C 0.938 175.880 175.328 -0.643 0.000 1.103 140 H CA 0.331 56.240 56.048 -0.231 0.000 1.426 140 H CB 0.808 30.499 29.762 -0.117 0.000 1.424 140 H HN 0.717 nan 8.280 nan 0.000 0.599 141 G N 0.968 109.476 108.800 -0.486 0.000 2.531 141 G HA2 0.462 4.422 3.960 -0.000 0.000 0.281 141 G HA3 0.462 4.422 3.960 -0.000 0.000 0.281 141 G C -0.766 173.978 174.900 -0.261 0.000 1.382 141 G CA -0.895 43.771 45.100 -0.724 0.000 1.045 141 G HN 0.552 nan 8.290 nan 0.000 0.533 142 K N -0.679 119.650 120.400 -0.118 0.000 2.385 142 K HA 0.536 4.856 4.320 -0.000 0.000 0.248 142 K C -0.909 175.727 176.600 0.060 0.000 0.955 142 K CA -0.702 55.572 56.287 -0.023 0.000 0.816 142 K CB 2.143 34.640 32.500 -0.006 0.000 1.250 142 K HN 0.590 nan 8.250 nan 0.000 0.434 143 T N -0.717 113.887 114.554 0.084 0.000 2.758 143 T HA 0.569 4.919 4.350 -0.000 0.000 0.285 143 T C -0.007 174.775 174.700 0.136 0.000 0.981 143 T CA -0.726 61.482 62.100 0.179 0.000 0.965 143 T CB -0.041 68.967 68.868 0.234 0.000 0.927 143 T HN 0.379 nan 8.240 nan 0.000 0.448 144 I N 5.303 125.954 120.570 0.135 0.000 2.378 144 I HA 0.344 4.514 4.170 -0.000 0.000 0.291 144 I C -1.847 174.341 176.117 0.118 0.000 0.992 144 I CA -2.838 58.518 61.300 0.093 0.000 1.154 144 I CB 2.367 40.395 38.000 0.046 0.000 1.315 144 I HN 0.478 nan 8.210 nan 0.000 0.448 145 P HA 0.160 nan 4.420 nan 0.000 0.226 145 P C 0.020 177.373 177.300 0.089 0.000 1.783 145 P CA 0.098 63.255 63.100 0.096 0.000 0.980 145 P CB 0.150 31.890 31.700 0.067 0.000 1.967 146 I N 1.090 121.724 120.570 0.106 0.000 2.938 146 I HA 0.035 4.205 4.170 -0.000 0.000 0.285 146 I C 0.354 176.552 176.117 0.135 0.000 1.182 146 I CA -0.081 61.276 61.300 0.096 0.000 1.388 146 I CB 0.656 38.704 38.000 0.080 0.000 1.390 146 I HN 0.037 nan 8.210 nan 0.000 0.600 147 D N 4.203 124.676 120.400 0.122 0.000 2.368 147 D HA 0.433 5.073 4.640 -0.000 0.000 0.240 147 D C 0.336 176.798 176.300 0.269 0.000 1.169 147 D CA 1.048 55.133 54.000 0.142 0.000 0.906 147 D CB 0.717 41.579 40.800 0.103 0.000 1.187 147 D HN 0.936 nan 8.370 nan 0.000 0.435 148 G N 1.055 109.972 108.800 0.196 0.000 2.828 148 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.463 148 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.463 148 G C -0.732 174.135 174.900 -0.055 0.000 1.394 148 G CA -0.706 44.484 45.100 0.152 0.000 0.862 148 G HN 0.518 nan 8.290 nan 0.000 0.540 149 D N 0.948 121.066 120.400 -0.470 0.000 2.600 149 D HA 0.460 5.099 4.640 -0.000 0.000 0.226 149 D C 0.004 175.795 176.300 -0.847 0.000 1.119 149 D CA 1.061 54.754 54.000 -0.512 0.000 1.051 149 D CB -0.552 40.000 40.800 -0.413 0.000 1.106 149 D HN 0.294 nan 8.370 nan 0.000 0.491 150 F N 0.449 120.445 119.950 0.077 0.000 2.613 150 F HA 0.372 4.899 4.527 -0.000 0.000 0.310 150 F C -0.418 175.500 175.800 0.197 0.000 1.085 150 F CA -1.471 56.593 58.000 0.107 0.000 0.945 150 F CB 1.686 40.722 39.000 0.059 0.000 1.298 150 F HN -0.134 nan 8.300 nan 0.000 0.455 151 F N 2.316 122.412 119.950 0.244 0.000 2.382 151 F HA 0.632 5.159 4.527 -0.000 0.000 0.361 151 F C -0.589 175.338 175.800 0.212 0.000 1.109 151 F CA -1.145 56.970 58.000 0.191 0.000 1.031 151 F CB 0.959 40.059 39.000 0.167 0.000 1.234 151 F HN 0.270 nan 8.300 nan 0.000 0.445 152 S N 6.777 122.507 115.700 0.051 0.000 2.472 152 S HA 0.808 5.278 4.470 -0.000 0.000 0.303 152 S C -1.312 173.183 174.600 -0.176 0.000 1.099 152 S CA -0.237 57.858 58.200 -0.176 0.000 1.077 152 S CB 0.628 63.789 63.200 -0.065 0.000 1.031 152 S HN 0.682 nan 8.310 nan 0.000 0.487 153 Y N 0.065 120.144 120.300 -0.369 0.000 2.638 153 Y HA 0.750 5.300 4.550 -0.000 0.000 0.335 153 Y C -0.635 175.168 175.900 -0.162 0.000 1.155 153 Y CA -1.090 56.856 58.100 -0.257 0.000 1.046 153 Y CB 0.838 39.090 38.460 -0.346 0.000 1.303 153 Y HN 0.543 nan 8.280 nan 0.000 0.460 154 T N -0.229 114.373 114.554 0.079 0.000 2.856 154 T HA 0.694 5.044 4.350 -0.000 0.000 0.283 154 T C -0.885 173.891 174.700 0.126 0.000 1.008 154 T CA -1.032 61.089 62.100 0.036 0.000 0.997 154 T CB 1.757 70.660 68.868 0.060 0.000 0.992 154 T HN 0.813 nan 8.240 nan 0.000 0.454 155 R N 1.358 121.934 120.500 0.127 0.000 2.338 155 R HA 0.319 4.659 4.340 -0.000 0.000 0.317 155 R C -0.368 176.075 176.300 0.239 0.000 0.968 155 R CA -0.676 55.517 56.100 0.154 0.000 0.849 155 R CB 0.989 31.370 30.300 0.136 0.000 1.128 155 R HN 0.736 nan 8.270 nan 0.000 0.448 156 H N 2.582 121.681 119.070 0.048 0.000 2.872 156 H HA 0.118 4.674 4.556 -0.000 0.000 0.273 156 H C -0.290 175.096 175.328 0.097 0.000 1.205 156 H CA -0.333 55.750 56.048 0.059 0.000 1.342 156 H CB 0.854 30.633 29.762 0.028 0.000 1.469 156 H HN 0.405 nan 8.280 nan 0.000 0.487 157 E N 4.006 124.321 120.200 0.192 0.000 2.250 157 E HA 0.241 4.591 4.350 -0.000 0.000 0.265 157 E C -2.463 174.251 176.600 0.188 0.000 1.033 157 E CA -2.282 54.219 56.400 0.168 0.000 0.888 157 E CB 1.029 30.815 29.700 0.144 0.000 1.151 157 E HN 0.375 nan 8.360 nan 0.000 0.412 158 P HA -0.050 nan 4.420 nan 0.000 0.275 158 P C 0.542 177.971 177.300 0.215 0.000 1.228 158 P CA -0.048 63.222 63.100 0.284 0.000 0.786 158 P CB 0.770 32.765 31.700 0.490 0.000 0.927 159 V N 2.045 122.021 119.914 0.103 0.000 2.515 159 V HA 0.051 4.171 4.120 -0.000 0.000 0.250 159 V C 1.068 177.088 176.094 -0.123 0.000 1.058 159 V CA 2.736 65.038 62.300 0.003 0.000 1.064 159 V CB -1.089 30.708 31.823 -0.043 0.000 0.675 159 V HN 0.973 nan 8.190 nan 0.000 0.461 160 G N -1.139 107.468 108.800 -0.321 0.000 2.253 160 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.190 160 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.190 160 G C -0.551 173.962 174.900 -0.644 0.000 1.274 160 G CA -0.229 44.321 45.100 -0.918 0.000 1.275 160 G HN 0.481 nan 8.290 nan 0.000 0.518 161 V N 1.106 120.748 119.914 -0.454 0.000 2.415 161 V HA 0.394 4.514 4.120 -0.000 0.000 0.267 161 V C 0.431 176.447 176.094 -0.129 0.000 1.042 161 V CA -0.128 62.028 62.300 -0.240 0.000 1.000 161 V CB 0.236 31.947 31.823 -0.187 0.000 1.015 161 V HN 0.812 nan 8.190 nan 0.000 0.478 162 C N 4.911 124.178 119.300 -0.055 0.000 2.281 162 C HA 0.679 5.139 4.460 -0.000 0.000 0.325 162 C C 1.053 176.059 174.990 0.027 0.000 1.282 162 C CA -0.957 58.074 59.018 0.022 0.000 1.640 162 C CB 0.289 28.130 27.740 0.169 0.000 2.288 162 C HN 0.998 nan 8.230 nan 0.000 0.507 163 G N 3.034 111.848 108.800 0.023 0.000 2.339 163 G HA2 0.518 4.478 3.960 -0.000 0.000 0.287 163 G HA3 0.518 4.478 3.960 -0.000 0.000 0.287 163 G C -0.790 174.158 174.900 0.080 0.000 1.163 163 G CA -0.121 45.002 45.100 0.037 0.000 0.872 163 G HN 0.812 nan 8.290 nan 0.000 0.464 164 Q N 1.585 121.436 119.800 0.085 0.000 2.310 164 Q HA 0.416 4.756 4.340 -0.000 0.000 0.270 164 Q C -0.817 175.244 176.000 0.102 0.000 1.025 164 Q CA -0.430 55.437 55.803 0.106 0.000 0.772 164 Q CB 2.708 31.502 28.738 0.094 0.000 1.253 164 Q HN 0.533 nan 8.270 nan 0.000 0.450 165 I N 4.841 125.491 120.570 0.133 0.000 2.382 165 I HA 0.438 4.608 4.170 -0.000 0.000 0.285 165 I C -0.145 175.973 176.117 0.002 0.000 1.007 165 I CA -0.786 60.596 61.300 0.138 0.000 1.142 165 I CB 0.864 39.062 38.000 0.330 0.000 1.289 165 I HN 0.524 nan 8.210 nan 0.000 0.453 166 I N 5.493 126.054 120.570 -0.015 0.000 2.562 166 I HA 0.724 4.894 4.170 -0.000 0.000 0.301 166 I C -2.537 173.523 176.117 -0.095 0.000 1.003 166 I CA -2.198 59.048 61.300 -0.090 0.000 1.127 166 I CB 1.934 39.902 38.000 -0.053 0.000 1.304 166 I HN 0.235 nan 8.210 nan 0.000 0.446 167 P HA 0.098 nan 4.420 nan 0.000 0.289 167 P C -0.062 177.144 177.300 -0.156 0.000 1.299 167 P CA -0.143 62.801 63.100 -0.260 0.000 0.766 167 P CB 0.545 31.972 31.700 -0.455 0.000 1.226 168 W N 0.385 121.675 121.300 -0.017 0.000 3.114 168 W HA 0.032 4.692 4.660 -0.000 0.000 0.279 168 W C 0.996 177.449 176.519 -0.110 0.000 1.277 168 W CA 0.292 57.613 57.345 -0.039 0.000 1.630 168 W CB -1.617 27.831 29.460 -0.020 0.000 1.087 168 W HN 0.220 nan 8.180 nan 0.000 0.637 169 N N 2.233 120.680 118.700 -0.422 0.000 2.166 169 N HA -0.196 4.544 4.740 -0.000 0.000 0.186 169 N C -0.099 174.944 175.510 -0.778 0.000 1.019 169 N CA 1.020 53.755 53.050 -0.525 0.000 0.856 169 N CB -1.193 36.859 38.487 -0.725 0.000 0.993 169 N HN 0.123 nan 8.380 nan 0.000 0.426 170 F N -0.604 119.210 119.950 -0.227 0.000 2.710 170 F HA 0.428 4.955 4.527 -0.000 0.000 0.345 170 F C -1.844 173.834 175.800 -0.202 0.000 1.362 170 F CA -2.064 55.792 58.000 -0.239 0.000 1.175 170 F CB 2.170 40.942 39.000 -0.380 0.000 1.561 170 F HN -0.177 nan 8.300 nan 0.000 0.593 171 P HA -0.218 nan 4.420 nan 0.000 0.213 171 P C 1.934 179.233 177.300 -0.002 0.000 1.176 171 P CA 1.710 64.817 63.100 0.012 0.000 0.919 171 P CB 0.408 32.130 31.700 0.036 0.000 0.791 172 L N -1.970 119.259 121.223 0.011 0.000 2.017 172 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 172 L C 2.474 179.328 176.870 -0.027 0.000 1.073 172 L CA 1.012 55.858 54.840 0.011 0.000 0.745 172 L CB -1.016 41.062 42.059 0.033 0.000 0.894 172 L HN -0.013 nan 8.230 nan 0.000 0.432 173 L N -0.711 120.467 121.223 -0.075 0.000 2.017 173 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 173 L C 2.490 179.112 176.870 -0.413 0.000 1.073 173 L CA 1.877 56.582 54.840 -0.224 0.000 0.745 173 L CB -0.462 41.380 42.059 -0.361 0.000 0.894 173 L HN 0.187 nan 8.230 nan 0.000 0.432 174 M N -1.032 118.332 119.600 -0.393 0.000 2.213 174 M HA -0.225 4.255 4.480 -0.000 0.000 0.263 174 M C 2.236 178.480 176.300 -0.094 0.000 1.062 174 M CA 1.535 56.627 55.300 -0.345 0.000 1.105 174 M CB -1.220 31.230 32.600 -0.249 0.000 1.385 174 M HN 0.518 nan 8.290 nan 0.000 0.417 175 Q N -0.112 119.656 119.800 -0.053 0.000 2.119 175 Q HA -0.106 4.234 4.340 -0.000 0.000 0.201 175 Q C 1.985 178.007 176.000 0.036 0.000 0.972 175 Q CA 1.765 57.566 55.803 -0.003 0.000 0.847 175 Q CB 0.035 28.771 28.738 -0.003 0.000 0.903 175 Q HN 0.468 nan 8.270 nan 0.000 0.433 176 A N -0.022 122.841 122.820 0.072 0.000 1.898 176 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 176 A C 1.494 179.244 177.584 0.277 0.000 1.181 176 A CA 1.076 53.208 52.037 0.158 0.000 0.620 176 A CB -1.057 18.058 19.000 0.192 0.000 0.819 176 A HN 0.614 nan 8.150 nan 0.000 0.442 177 W N 0.539 121.844 121.300 0.007 0.000 2.364 177 W HA -0.061 4.599 4.660 -0.000 0.000 0.281 177 W C 2.087 178.581 176.519 -0.041 0.000 1.219 177 W CA 1.305 58.663 57.345 0.022 0.000 1.220 177 W CB -0.182 29.278 29.460 -0.001 0.000 1.127 177 W HN 0.230 nan 8.180 nan 0.000 0.556 178 K N -0.334 120.166 120.400 0.166 0.000 2.078 178 K HA 0.091 4.411 4.320 -0.000 0.000 0.203 178 K C 2.052 178.570 176.600 -0.138 0.000 1.043 178 K CA 0.765 57.069 56.287 0.027 0.000 0.960 178 K CB -1.015 31.518 32.500 0.056 0.000 0.761 178 K HN 0.200 nan 8.250 nan 0.000 0.448 179 L N 0.467 121.637 121.223 -0.089 0.000 2.141 179 L HA -0.065 4.275 4.340 -0.000 0.000 0.209 179 L C 2.452 179.228 176.870 -0.155 0.000 1.094 179 L CA 1.177 55.934 54.840 -0.138 0.000 0.763 179 L CB -0.986 41.004 42.059 -0.115 0.000 0.908 179 L HN 0.260 nan 8.230 nan 0.000 0.437 180 G N 1.486 110.221 108.800 -0.110 0.000 2.587 180 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 180 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 180 G C -0.476 174.148 174.900 -0.460 0.000 1.240 180 G CA 1.047 46.088 45.100 -0.098 0.000 0.794 180 G HN 0.303 nan 8.290 nan 0.000 0.580 181 P HA -0.006 nan 4.420 nan 0.000 0.219 181 P C 1.956 178.806 177.300 -0.750 0.000 1.150 181 P CA 1.936 64.400 63.100 -1.060 0.000 0.814 181 P CB -0.087 30.993 31.700 -1.032 0.000 0.787 182 A N 0.493 122.794 122.820 -0.866 0.000 1.873 182 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 182 A C 2.436 179.944 177.584 -0.127 0.000 1.186 182 A CA 1.312 52.942 52.037 -0.678 0.000 0.616 182 A CB -1.533 17.131 19.000 -0.560 0.000 0.823 182 A HN 0.116 nan 8.150 nan 0.000 0.442 183 L N -0.843 120.365 121.223 -0.024 0.000 2.156 183 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 183 L C 3.002 180.059 176.870 0.313 0.000 1.095 183 L CA 0.812 55.833 54.840 0.301 0.000 0.770 183 L CB -0.553 41.675 42.059 0.281 0.000 0.914 183 L HN 0.424 nan 8.230 nan 0.000 0.439 184 A N 0.318 123.213 122.820 0.126 0.000 1.972 184 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 184 A C 2.237 179.874 177.584 0.088 0.000 1.169 184 A CA 2.090 54.205 52.037 0.130 0.000 0.635 184 A CB -0.777 18.310 19.000 0.145 0.000 0.810 184 A HN 0.500 nan 8.150 nan 0.000 0.446 185 T N -4.399 110.187 114.554 0.053 0.000 3.144 185 T HA 0.422 4.772 4.350 -0.000 0.000 0.249 185 T C 1.233 176.004 174.700 0.118 0.000 1.089 185 T CA 0.934 63.081 62.100 0.078 0.000 0.989 185 T CB 0.083 68.990 68.868 0.064 0.000 0.992 185 T HN 1.654 nan 8.240 nan 0.000 0.540 186 G N 1.658 110.541 108.800 0.137 0.000 2.136 186 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.242 186 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.242 186 G C -0.006 175.224 174.900 0.550 0.000 0.989 186 G CA -0.215 44.942 45.100 0.095 0.000 0.682 186 G HN 0.589 nan 8.290 nan 0.000 0.522 187 N N -0.618 118.401 118.700 0.532 0.000 2.364 187 N HA 0.571 5.311 4.740 -0.000 0.000 0.264 187 N C 0.501 176.310 175.510 0.499 0.000 1.263 187 N CA 0.540 53.865 53.050 0.458 0.000 0.959 187 N CB 1.640 40.274 38.487 0.245 0.000 1.204 187 N HN 0.694 nan 8.380 nan 0.000 0.550 188 V N -2.036 118.006 119.914 0.213 0.000 2.715 188 V HA 0.698 4.818 4.120 -0.000 0.000 0.310 188 V C -0.110 175.973 176.094 -0.017 0.000 1.054 188 V CA -0.780 61.556 62.300 0.061 0.000 0.928 188 V CB 1.626 33.498 31.823 0.082 0.000 1.007 188 V HN 0.240 nan 8.190 nan 0.000 0.437 189 V N 3.007 122.883 119.914 -0.063 0.000 2.769 189 V HA 0.632 4.752 4.120 -0.000 0.000 0.312 189 V C -0.476 175.592 176.094 -0.043 0.000 1.061 189 V CA -0.554 61.719 62.300 -0.046 0.000 0.931 189 V CB 2.178 33.964 31.823 -0.062 0.000 1.010 189 V HN 0.786 nan 8.190 nan 0.000 0.433 190 V N 5.088 124.989 119.914 -0.022 0.000 2.385 190 V HA 0.419 4.539 4.120 -0.000 0.000 0.277 190 V C -0.234 175.870 176.094 0.016 0.000 1.012 190 V CA -0.187 62.106 62.300 -0.012 0.000 0.832 190 V CB 1.309 33.111 31.823 -0.035 0.000 1.028 190 V HN 0.893 nan 8.190 nan 0.000 0.436 191 M N 4.666 124.281 119.600 0.025 0.000 2.363 191 M HA 0.585 5.065 4.480 -0.000 0.000 0.343 191 M C -0.583 175.753 176.300 0.059 0.000 1.165 191 M CA -0.429 54.895 55.300 0.039 0.000 1.046 191 M CB 1.288 33.901 32.600 0.021 0.000 1.648 191 M HN 0.349 nan 8.290 nan 0.000 0.452 192 K N 5.031 125.473 120.400 0.071 0.000 2.394 192 K HA 0.425 4.745 4.320 -0.000 0.000 0.260 192 K C -1.365 175.285 176.600 0.083 0.000 0.967 192 K CA -0.415 55.922 56.287 0.082 0.000 0.855 192 K CB 1.052 33.608 32.500 0.093 0.000 1.101 192 K HN 0.670 nan 8.250 nan 0.000 0.433 193 V N 0.752 120.720 119.914 0.090 0.000 2.997 193 V HA 0.717 4.837 4.120 -0.000 0.000 0.311 193 V C 0.426 176.587 176.094 0.113 0.000 1.066 193 V CA -1.156 61.201 62.300 0.095 0.000 1.039 193 V CB 1.192 33.078 31.823 0.105 0.000 1.081 193 V HN 0.719 nan 8.190 nan 0.000 0.467 194 A N 2.057 124.957 122.820 0.134 0.000 2.477 194 A HA 0.285 4.605 4.320 -0.000 0.000 0.246 194 A C 1.237 178.926 177.584 0.176 0.000 1.078 194 A CA 0.330 52.476 52.037 0.181 0.000 0.770 194 A CB -0.141 19.031 19.000 0.286 0.000 1.011 194 A HN 1.151 nan 8.150 nan 0.000 0.494 195 E N 1.585 121.858 120.200 0.121 0.000 2.204 195 E HA -0.286 4.064 4.350 -0.000 0.000 0.195 195 E C 1.072 177.817 176.600 0.242 0.000 0.990 195 E CA 1.667 58.116 56.400 0.081 0.000 0.821 195 E CB -0.210 29.420 29.700 -0.117 0.000 0.750 195 E HN 0.816 nan 8.360 nan 0.000 0.477 196 Q N 0.705 120.598 119.800 0.155 0.000 2.245 196 Q HA 0.002 4.342 4.340 -0.000 0.000 0.201 196 Q C 0.633 176.690 176.000 0.095 0.000 0.955 196 Q CA 1.609 57.449 55.803 0.063 0.000 0.870 196 Q CB 0.649 29.293 28.738 -0.156 0.000 0.945 196 Q HN 0.436 nan 8.270 nan 0.000 0.461 197 T N -3.429 111.219 114.554 0.156 0.000 3.583 197 T HA 0.295 4.645 4.350 -0.000 0.000 0.266 197 T C -2.482 172.296 174.700 0.130 0.000 1.296 197 T CA -1.306 60.870 62.100 0.126 0.000 1.668 197 T CB 1.151 70.101 68.868 0.136 0.000 0.832 197 T HN -0.052 nan 8.240 nan 0.000 0.649 198 P HA 0.226 nan 4.420 nan 0.000 0.238 198 P C 1.620 178.983 177.300 0.105 0.000 1.183 198 P CA -0.137 63.047 63.100 0.140 0.000 0.813 198 P CB 0.394 32.212 31.700 0.196 0.000 0.944 199 L N 0.653 121.919 121.223 0.071 0.000 1.989 199 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 199 L C 2.834 179.770 176.870 0.110 0.000 1.071 199 L CA 2.790 57.668 54.840 0.063 0.000 0.749 199 L CB -2.157 39.911 42.059 0.015 0.000 0.890 199 L HN 0.105 nan 8.230 nan 0.000 0.431 200 T N -2.072 112.535 114.554 0.089 0.000 2.746 200 T HA -0.155 4.194 4.350 -0.000 0.000 0.267 200 T C 1.939 176.735 174.700 0.159 0.000 1.039 200 T CA 1.043 63.216 62.100 0.122 0.000 1.142 200 T CB -0.489 68.420 68.868 0.068 0.000 0.866 200 T HN 0.339 nan 8.240 nan 0.000 0.444 201 A N 1.375 124.263 122.820 0.113 0.000 1.969 201 A HA 0.219 4.539 4.320 -0.000 0.000 0.218 201 A C 2.432 180.070 177.584 0.089 0.000 1.169 201 A CA 1.071 53.157 52.037 0.083 0.000 0.635 201 A CB -0.796 18.243 19.000 0.065 0.000 0.810 201 A HN 0.559 nan 8.150 nan 0.000 0.445 202 L N -2.419 118.901 121.223 0.162 0.000 2.109 202 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 202 L C 2.529 179.574 176.870 0.291 0.000 1.086 202 L CA 1.332 56.331 54.840 0.263 0.000 0.760 202 L CB -0.521 41.704 42.059 0.277 0.000 0.910 202 L HN 0.570 nan 8.230 nan 0.000 0.437 203 Y N 0.213 120.603 120.300 0.149 0.000 2.242 203 Y HA -0.166 4.384 4.550 -0.000 0.000 0.291 203 Y C 2.332 178.298 175.900 0.112 0.000 1.137 203 Y CA 1.160 59.364 58.100 0.174 0.000 1.181 203 Y CB -0.121 38.496 38.460 0.261 0.000 0.989 203 Y HN -0.172 nan 8.280 nan 0.000 0.527 204 V N 0.302 120.252 119.914 0.059 0.000 2.490 204 V HA -0.307 3.813 4.120 -0.000 0.000 0.250 204 V C 2.622 178.575 176.094 -0.235 0.000 1.061 204 V CA 1.612 63.874 62.300 -0.063 0.000 1.064 204 V CB -1.452 30.374 31.823 0.005 0.000 0.670 204 V HN 0.553 nan 8.190 nan 0.000 0.461 205 A N 0.220 122.839 122.820 -0.334 0.000 1.972 205 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 205 A C 2.048 179.160 177.584 -0.785 0.000 1.169 205 A CA 2.202 53.738 52.037 -0.835 0.000 0.635 205 A CB -0.736 17.458 19.000 -1.343 0.000 0.810 205 A HN 0.577 nan 8.150 nan 0.000 0.446 206 N N -0.185 118.312 118.700 -0.337 0.000 2.244 206 N HA -0.016 4.724 4.740 -0.000 0.000 0.183 206 N C 1.468 176.867 175.510 -0.184 0.000 1.016 206 N CA 1.076 54.053 53.050 -0.122 0.000 0.866 206 N CB -0.295 38.119 38.487 -0.123 0.000 0.980 206 N HN 0.511 nan 8.380 nan 0.000 0.430 207 L N -0.346 120.718 121.223 -0.265 0.000 2.240 207 L HA 0.043 4.383 4.340 -0.000 0.000 0.211 207 L C 1.853 178.706 176.870 -0.028 0.000 1.106 207 L CA 0.488 55.244 54.840 -0.141 0.000 0.793 207 L CB -0.223 41.764 42.059 -0.119 0.000 0.927 207 L HN 0.166 nan 8.230 nan 0.000 0.446 208 I N 0.267 120.785 120.570 -0.087 0.000 2.315 208 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 208 I C 2.704 178.925 176.117 0.175 0.000 1.117 208 I CA 1.281 62.573 61.300 -0.014 0.000 1.404 208 I CB -0.197 37.636 38.000 -0.278 0.000 1.071 208 I HN 0.257 nan 8.210 nan 0.000 0.419 209 K N 1.219 121.692 120.400 0.122 0.000 2.062 209 K HA -0.227 4.093 4.320 -0.000 0.000 0.205 209 K C 2.096 178.770 176.600 0.125 0.000 1.051 209 K CA 1.488 57.881 56.287 0.176 0.000 0.941 209 K CB -0.043 32.584 32.500 0.212 0.000 0.719 209 K HN 0.238 nan 8.250 nan 0.000 0.440 210 E N -0.040 120.210 120.200 0.082 0.000 2.106 210 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 210 E C 1.699 178.343 176.600 0.073 0.000 0.984 210 E CA 0.929 57.364 56.400 0.058 0.000 0.806 210 E CB -0.093 29.617 29.700 0.018 0.000 0.750 210 E HN 0.444 nan 8.360 nan 0.000 0.458 211 A N 0.058 122.948 122.820 0.117 0.000 2.019 211 A HA 0.018 4.338 4.320 -0.000 0.000 0.219 211 A C 1.888 179.493 177.584 0.035 0.000 1.164 211 A CA 1.567 53.669 52.037 0.109 0.000 0.644 211 A CB -0.450 18.692 19.000 0.236 0.000 0.805 211 A HN 0.534 nan 8.150 nan 0.000 0.449 212 G N -3.114 105.737 108.800 0.084 0.000 2.175 212 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.182 212 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.182 212 G C -0.046 174.869 174.900 0.024 0.000 1.003 212 G CA -0.251 44.868 45.100 0.033 0.000 0.666 212 G HN 0.262 nan 8.290 nan 0.000 0.506 213 F N 1.845 121.819 119.950 0.039 0.000 2.538 213 F HA 0.418 4.945 4.527 -0.000 0.000 0.371 213 F C -1.135 174.646 175.800 -0.031 0.000 1.087 213 F CA -1.448 56.546 58.000 -0.010 0.000 1.250 213 F CB 0.467 39.395 39.000 -0.119 0.000 1.110 213 F HN -0.099 nan 8.300 nan 0.000 0.570 214 P HA 0.030 nan 4.420 nan 0.000 0.268 214 P C -2.539 174.762 177.300 0.001 0.000 1.208 214 P CA -0.769 62.379 63.100 0.080 0.000 0.777 214 P CB 0.018 31.798 31.700 0.133 0.000 0.875 215 P HA 0.075 nan 4.420 nan 0.000 0.268 215 P C 0.975 178.218 177.300 -0.096 0.000 1.204 215 P CA 1.200 64.249 63.100 -0.085 0.000 0.768 215 P CB 0.169 31.823 31.700 -0.076 0.000 0.842 216 G N 1.275 109.988 108.800 -0.144 0.000 2.241 216 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.244 216 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.244 216 G C 1.054 175.872 174.900 -0.137 0.000 0.998 216 G CA 0.274 45.302 45.100 -0.119 0.000 0.621 216 G HN 0.396 nan 8.290 nan 0.000 0.519 217 V N -0.086 119.697 119.914 -0.218 0.000 2.407 217 V HA 0.069 4.189 4.120 -0.000 0.000 0.248 217 V C 1.386 177.302 176.094 -0.296 0.000 1.055 217 V CA 2.011 64.071 62.300 -0.400 0.000 1.049 217 V CB 0.049 31.402 31.823 -0.784 0.000 0.662 217 V HN 0.449 nan 8.190 nan 0.000 0.455 218 V N 1.602 121.393 119.914 -0.205 0.000 2.482 218 V HA 0.452 4.572 4.120 -0.000 0.000 0.295 218 V C -0.875 175.238 176.094 0.030 0.000 1.026 218 V CA -0.780 61.443 62.300 -0.128 0.000 0.856 218 V CB 1.739 33.431 31.823 -0.218 0.000 1.001 218 V HN 0.425 nan 8.190 nan 0.000 0.424 219 N N 5.612 124.324 118.700 0.020 0.000 2.314 219 N HA 0.639 5.379 4.740 -0.000 0.000 0.294 219 N C -1.160 174.405 175.510 0.092 0.000 1.029 219 N CA -0.423 52.669 53.050 0.070 0.000 0.845 219 N CB 3.044 41.521 38.487 -0.018 0.000 1.321 219 N HN 0.490 nan 8.380 nan 0.000 0.481 220 I N 1.554 122.221 120.570 0.162 0.000 2.406 220 I HA 0.328 4.498 4.170 -0.000 0.000 0.290 220 I C -0.375 175.828 176.117 0.144 0.000 0.999 220 I CA -0.989 60.382 61.300 0.119 0.000 1.124 220 I CB 2.017 40.069 38.000 0.086 0.000 1.289 220 I HN 0.044 nan 8.210 nan 0.000 0.441 221 V N 8.088 128.072 119.914 0.117 0.000 2.284 221 V HA 0.305 4.425 4.120 -0.000 0.000 0.274 221 V C -2.065 174.102 176.094 0.123 0.000 1.023 221 V CA -1.501 60.872 62.300 0.122 0.000 0.808 221 V CB 1.229 33.106 31.823 0.090 0.000 1.035 221 V HN 0.581 nan 8.190 nan 0.000 0.445 222 P HA 0.619 nan 4.420 nan 0.000 0.276 222 P C 0.187 177.556 177.300 0.115 0.000 1.244 222 P CA 0.403 63.615 63.100 0.186 0.000 0.801 222 P CB 2.196 34.063 31.700 0.278 0.000 1.006 223 G N 0.127 108.870 108.800 -0.095 0.000 2.350 223 G HA2 0.240 4.200 3.960 -0.000 0.000 0.276 223 G HA3 0.240 4.200 3.960 -0.000 0.000 0.276 223 G C -1.554 172.937 174.900 -0.682 0.000 1.313 223 G CA -0.852 43.936 45.100 -0.521 0.000 0.903 223 G HN 0.310 nan 8.290 nan 0.000 0.490 224 F N 0.424 120.237 119.950 -0.228 0.000 2.380 224 F HA 0.549 5.076 4.527 -0.000 0.000 0.319 224 F C 1.838 177.604 175.800 -0.057 0.000 1.113 224 F CA 0.144 58.042 58.000 -0.170 0.000 1.056 224 F CB 1.561 40.465 39.000 -0.161 0.000 1.289 224 F HN 0.658 nan 8.300 nan 0.000 0.515 225 G N 0.286 109.209 108.800 0.205 0.000 2.424 225 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.214 225 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.214 225 G C -1.065 173.889 174.900 0.090 0.000 1.202 225 G CA 0.484 45.663 45.100 0.132 0.000 0.793 225 G HN 0.443 nan 8.290 nan 0.000 0.534 226 P HA -0.013 nan 4.420 nan 0.000 0.228 226 P C 1.734 179.063 177.300 0.049 0.000 1.151 226 P CA 1.934 65.055 63.100 0.035 0.000 0.770 226 P CB 0.080 31.784 31.700 0.008 0.000 0.786 227 T N -3.939 110.668 114.554 0.088 0.000 3.395 227 T HA 0.281 4.631 4.350 -0.000 0.000 0.230 227 T C 1.948 176.691 174.700 0.071 0.000 0.958 227 T CA 0.572 62.722 62.100 0.084 0.000 1.377 227 T CB -1.100 67.844 68.868 0.126 0.000 1.124 227 T HN -0.108 nan 8.240 nan 0.000 0.425 228 A N 1.769 124.632 122.820 0.073 0.000 1.873 228 A HA 0.285 4.605 4.320 -0.000 0.000 0.215 228 A C 2.628 180.253 177.584 0.069 0.000 1.186 228 A CA 1.865 53.940 52.037 0.063 0.000 0.616 228 A CB -1.717 17.311 19.000 0.045 0.000 0.823 228 A HN 0.666 nan 8.150 nan 0.000 0.442 229 G N -0.431 108.414 108.800 0.076 0.000 2.421 229 G HA2 -0.019 3.940 3.960 -0.000 0.000 0.216 229 G HA3 -0.019 3.940 3.960 -0.000 0.000 0.216 229 G C 1.764 176.692 174.900 0.048 0.000 1.171 229 G CA 1.561 46.708 45.100 0.080 0.000 0.775 229 G HN 0.818 nan 8.290 nan 0.000 0.543 230 A N 1.107 123.946 122.820 0.032 0.000 1.933 230 A HA 0.280 4.600 4.320 -0.000 0.000 0.218 230 A C 2.804 180.403 177.584 0.025 0.000 1.175 230 A CA 2.187 54.230 52.037 0.009 0.000 0.628 230 A CB -0.738 18.264 19.000 0.003 0.000 0.814 230 A HN 0.819 nan 8.150 nan 0.000 0.444 231 A N -0.093 122.754 122.820 0.045 0.000 1.933 231 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 231 A C 2.107 179.758 177.584 0.111 0.000 1.175 231 A CA 1.538 53.614 52.037 0.065 0.000 0.628 231 A CB -0.543 18.503 19.000 0.078 0.000 0.814 231 A HN 0.518 nan 8.150 nan 0.000 0.444 232 I N -0.544 120.082 120.570 0.094 0.000 2.233 232 I HA -0.214 3.956 4.170 -0.000 0.000 0.243 232 I C 2.959 179.124 176.117 0.079 0.000 1.093 232 I CA 0.989 62.344 61.300 0.092 0.000 1.380 232 I CB -0.388 37.654 38.000 0.069 0.000 1.067 232 I HN 0.340 nan 8.210 nan 0.000 0.413 233 A N -0.259 122.588 122.820 0.045 0.000 1.972 233 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 233 A C 2.293 179.888 177.584 0.017 0.000 1.169 233 A CA 1.995 54.040 52.037 0.013 0.000 0.635 233 A CB -0.437 18.544 19.000 -0.033 0.000 0.810 233 A HN 0.390 nan 8.150 nan 0.000 0.446 234 S N -1.167 114.550 115.700 0.028 0.000 2.540 234 S HA 0.103 4.572 4.470 -0.000 0.000 0.218 234 S C 0.489 175.104 174.600 0.026 0.000 0.977 234 S CA -0.557 57.650 58.200 0.011 0.000 0.918 234 S CB -0.222 62.970 63.200 -0.014 0.000 0.806 234 S HN 0.665 nan 8.310 nan 0.000 0.496 235 H N 2.659 121.723 119.070 -0.010 0.000 2.848 235 H HA 0.094 4.650 4.556 -0.000 0.000 0.341 235 H C 0.890 176.212 175.328 -0.011 0.000 1.060 235 H CA 0.551 56.595 56.048 -0.007 0.000 1.444 235 H CB 0.713 30.473 29.762 -0.004 0.000 1.446 235 H HN 0.128 nan 8.280 nan 0.000 0.583 236 E N 2.845 123.092 120.200 0.078 0.000 2.347 236 E HA -0.114 4.236 4.350 -0.000 0.000 0.196 236 E C 0.647 177.361 176.600 0.190 0.000 1.008 236 E CA 0.714 57.173 56.400 0.099 0.000 0.852 236 E CB 0.260 29.961 29.700 0.001 0.000 0.783 236 E HN 0.584 nan 8.360 nan 0.000 0.505 237 D N -0.391 120.254 120.400 0.409 0.000 2.431 237 D HA 0.048 4.688 4.640 -0.000 0.000 0.213 237 D C -0.623 175.669 176.300 -0.013 0.000 1.130 237 D CA -0.030 54.056 54.000 0.144 0.000 0.834 237 D CB 0.661 41.532 40.800 0.117 0.000 0.985 237 D HN -0.208 nan 8.370 nan 0.000 0.504 238 V N 1.667 121.584 119.914 0.005 0.000 2.406 238 V HA 0.140 4.260 4.120 -0.000 0.000 0.272 238 V C 0.878 176.951 176.094 -0.035 0.000 1.043 238 V CA -0.337 61.928 62.300 -0.059 0.000 0.915 238 V CB 1.739 33.540 31.823 -0.036 0.000 0.988 238 V HN 0.075 nan 8.190 nan 0.000 0.466 239 D N 2.937 123.294 120.400 -0.071 0.000 2.213 239 D HA 0.047 4.687 4.640 -0.000 0.000 0.205 239 D C 0.781 177.040 176.300 -0.068 0.000 0.961 239 D CA 0.868 54.826 54.000 -0.069 0.000 0.853 239 D CB 0.651 41.387 40.800 -0.107 0.000 0.967 239 D HN 0.366 nan 8.370 nan 0.000 0.496 240 K N 0.710 121.067 120.400 -0.071 0.000 2.523 240 K HA 0.364 4.684 4.320 -0.000 0.000 0.257 240 K C -2.005 174.566 176.600 -0.048 0.000 0.932 240 K CA -0.609 55.628 56.287 -0.082 0.000 0.812 240 K CB 3.095 35.509 32.500 -0.144 0.000 1.326 240 K HN -0.148 nan 8.250 nan 0.000 0.433 241 V N 2.193 122.085 119.914 -0.036 0.000 2.588 241 V HA 0.797 4.917 4.120 -0.000 0.000 0.304 241 V C -1.339 174.776 176.094 0.034 0.000 1.042 241 V CA -0.418 61.892 62.300 0.017 0.000 0.877 241 V CB 1.541 33.382 31.823 0.030 0.000 0.996 241 V HN 0.869 nan 8.190 nan 0.000 0.425 242 A N 6.624 129.498 122.820 0.090 0.000 2.304 242 A HA 0.856 5.176 4.320 -0.000 0.000 0.314 242 A C -1.300 176.406 177.584 0.203 0.000 1.187 242 A CA -0.443 51.668 52.037 0.123 0.000 0.810 242 A CB 0.934 20.029 19.000 0.158 0.000 1.183 242 A HN 1.157 nan 8.150 nan 0.000 0.487 243 F N 2.010 121.988 119.950 0.046 0.000 2.540 243 F HA 0.711 5.238 4.527 -0.000 0.000 0.317 243 F C -0.404 175.430 175.800 0.055 0.000 1.104 243 F CA -0.044 57.983 58.000 0.045 0.000 0.913 243 F CB 2.345 41.362 39.000 0.028 0.000 1.170 243 F HN 0.416 nan 8.300 nan 0.000 0.450 244 T N 4.500 118.475 114.554 -0.965 0.000 2.841 244 T HA 0.793 5.143 4.350 -0.000 0.000 0.285 244 T C -0.174 173.818 174.700 -1.180 0.000 0.991 244 T CA -0.208 61.447 62.100 -0.742 0.000 0.966 244 T CB 1.236 69.921 68.868 -0.305 0.000 0.962 244 T HN 1.125 nan 8.240 nan 0.000 0.438 245 G N 1.932 110.266 108.800 -0.776 0.000 2.452 245 G HA2 0.442 4.402 3.960 -0.000 0.000 0.224 245 G HA3 0.442 4.402 3.960 -0.000 0.000 0.224 245 G C -0.519 174.335 174.900 -0.077 0.000 1.208 245 G CA -0.169 44.670 45.100 -0.434 0.000 0.946 245 G HN 0.954 nan 8.290 nan 0.000 0.481 246 S N -0.560 115.195 115.700 0.093 0.000 2.603 246 S HA 0.465 4.935 4.470 -0.000 0.000 0.268 246 S C 1.250 175.969 174.600 0.200 0.000 1.317 246 S CA 1.061 59.312 58.200 0.084 0.000 1.012 246 S CB 1.347 64.587 63.200 0.066 0.000 0.926 246 S HN 0.782 nan 8.310 nan 0.000 0.539 247 T N 0.930 115.585 114.554 0.169 0.000 2.867 247 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 247 T C 1.610 176.376 174.700 0.110 0.000 1.057 247 T CA 1.497 63.704 62.100 0.178 0.000 1.136 247 T CB -0.428 68.575 68.868 0.225 0.000 0.874 247 T HN 0.832 nan 8.240 nan 0.000 0.466 248 E N 0.638 120.894 120.200 0.093 0.000 2.031 248 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 248 E C 1.859 178.463 176.600 0.008 0.000 0.994 248 E CA 1.047 57.474 56.400 0.046 0.000 0.800 248 E CB -0.008 29.721 29.700 0.048 0.000 0.752 248 E HN 0.290 nan 8.360 nan 0.000 0.447 249 I N 0.814 121.396 120.570 0.020 0.000 2.676 249 I HA -0.062 4.108 4.170 -0.000 0.000 0.259 249 I C 2.448 178.366 176.117 -0.332 0.000 1.194 249 I CA 1.072 62.300 61.300 -0.121 0.000 1.473 249 I CB -1.551 36.418 38.000 -0.051 0.000 1.096 249 I HN 0.210 nan 8.210 nan 0.000 0.443 250 G N 1.208 109.937 108.800 -0.118 0.000 2.440 250 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 250 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 250 G C 1.902 176.727 174.900 -0.124 0.000 1.154 250 G CA 0.388 45.427 45.100 -0.102 0.000 0.767 250 G HN 0.313 nan 8.290 nan 0.000 0.552 251 R N -0.300 120.155 120.500 -0.075 0.000 2.092 251 R HA 0.009 4.349 4.340 -0.000 0.000 0.231 251 R C 2.636 178.878 176.300 -0.096 0.000 1.119 251 R CA 1.018 57.078 56.100 -0.065 0.000 0.970 251 R CB -0.427 29.849 30.300 -0.040 0.000 0.864 251 R HN 0.304 nan 8.270 nan 0.000 0.440 252 V N 1.257 121.091 119.914 -0.132 0.000 2.407 252 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 252 V C 2.223 178.219 176.094 -0.163 0.000 1.055 252 V CA 1.375 63.594 62.300 -0.135 0.000 1.049 252 V CB -0.409 31.328 31.823 -0.144 0.000 0.662 252 V HN 0.246 nan 8.190 nan 0.000 0.455 253 I N 0.061 120.479 120.570 -0.253 0.000 2.202 253 I HA -0.257 3.912 4.170 -0.000 0.000 0.242 253 I C 2.543 178.586 176.117 -0.124 0.000 1.091 253 I CA 1.866 63.025 61.300 -0.235 0.000 1.368 253 I CB -1.169 36.604 38.000 -0.379 0.000 1.058 253 I HN 0.432 nan 8.210 nan 0.000 0.410 254 Q N 0.712 120.451 119.800 -0.101 0.000 2.119 254 Q HA -0.128 4.212 4.340 -0.000 0.000 0.201 254 Q C 2.282 178.249 176.000 -0.054 0.000 0.972 254 Q CA 1.452 57.219 55.803 -0.060 0.000 0.847 254 Q CB 0.168 28.879 28.738 -0.044 0.000 0.903 254 Q HN 0.304 nan 8.270 nan 0.000 0.433 255 V N 0.717 120.595 119.914 -0.060 0.000 2.427 255 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 255 V C 2.282 178.348 176.094 -0.046 0.000 1.051 255 V CA 1.637 63.908 62.300 -0.049 0.000 1.048 255 V CB -0.904 30.889 31.823 -0.050 0.000 0.666 255 V HN 0.522 nan 8.190 nan 0.000 0.456 256 A N -0.002 122.785 122.820 -0.055 0.000 1.930 256 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 256 A C 2.410 179.974 177.584 -0.034 0.000 1.175 256 A CA 1.905 53.915 52.037 -0.046 0.000 0.627 256 A CB -0.653 18.315 19.000 -0.054 0.000 0.815 256 A HN 0.543 nan 8.150 nan 0.000 0.443 257 A N -0.495 122.303 122.820 -0.036 0.000 1.898 257 A HA 0.159 4.479 4.320 -0.000 0.000 0.216 257 A C 2.378 179.947 177.584 -0.025 0.000 1.181 257 A CA 1.811 53.832 52.037 -0.026 0.000 0.620 257 A CB -1.283 17.699 19.000 -0.029 0.000 0.819 257 A HN 0.702 nan 8.150 nan 0.000 0.442 258 G N -1.169 107.614 108.800 -0.029 0.000 2.421 258 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.217 258 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.217 258 G C 1.658 176.544 174.900 -0.024 0.000 1.143 258 G CA 1.176 46.261 45.100 -0.026 0.000 0.784 258 G HN 0.478 nan 8.290 nan 0.000 0.541 259 S N 0.120 115.805 115.700 -0.026 0.000 2.489 259 S HA 0.035 4.505 4.470 -0.000 0.000 0.228 259 S C 2.257 176.844 174.600 -0.022 0.000 0.995 259 S CA 0.903 59.089 58.200 -0.024 0.000 0.934 259 S CB 0.031 63.215 63.200 -0.027 0.000 0.771 259 S HN 0.633 nan 8.310 nan 0.000 0.522 260 S N 3.236 118.924 115.700 -0.020 0.000 3.224 260 S HA 0.107 4.577 4.470 -0.000 0.000 0.171 260 S C 0.931 175.525 174.600 -0.010 0.000 0.846 260 S CA 0.102 58.292 58.200 -0.016 0.000 1.328 260 S CB -0.596 62.599 63.200 -0.009 0.000 0.614 260 S HN 0.436 nan 8.310 nan 0.000 0.578 261 N N 1.434 120.133 118.700 -0.002 0.000 2.276 261 N HA 0.212 4.952 4.740 -0.000 0.000 0.212 261 N C 0.238 175.744 175.510 -0.007 0.000 1.127 261 N CA -0.045 53.005 53.050 -0.000 0.000 0.834 261 N CB -0.823 37.672 38.487 0.014 0.000 1.014 261 N HN 0.687 nan 8.380 nan 0.000 0.491 262 L N -0.717 120.499 121.223 -0.012 0.000 3.717 262 L HA -0.294 4.046 4.340 -0.000 0.000 0.411 262 L C -0.023 176.834 176.870 -0.022 0.000 1.233 262 L CA 0.551 55.380 54.840 -0.018 0.000 0.917 262 L CB -1.766 40.282 42.059 -0.018 0.000 1.902 262 L HN 0.475 nan 8.230 nan 0.000 0.894 263 K N -0.108 120.280 120.400 -0.020 0.000 2.380 263 K HA 0.386 4.706 4.320 -0.000 0.000 0.267 263 K C 0.388 176.965 176.600 -0.039 0.000 0.990 263 K CA -0.589 55.681 56.287 -0.027 0.000 0.946 263 K CB 0.464 32.952 32.500 -0.020 0.000 0.937 263 K HN 0.004 nan 8.250 nan 0.000 0.491 264 R N 0.939 121.406 120.500 -0.055 0.000 2.590 264 R HA 0.209 4.549 4.340 -0.000 0.000 0.274 264 R C -0.599 175.660 176.300 -0.070 0.000 1.061 264 R CA -0.248 55.810 56.100 -0.069 0.000 1.081 264 R CB 0.825 31.067 30.300 -0.096 0.000 0.984 264 R HN 0.461 nan 8.270 nan 0.000 0.448 265 V N 1.476 121.353 119.914 -0.061 0.000 2.709 265 V HA 0.607 4.727 4.120 -0.000 0.000 0.308 265 V C -0.511 175.561 176.094 -0.037 0.000 1.062 265 V CA -0.826 61.450 62.300 -0.041 0.000 0.901 265 V CB 2.263 34.073 31.823 -0.022 0.000 1.003 265 V HN 0.985 nan 8.190 nan 0.000 0.425 266 T N 2.386 116.932 114.554 -0.013 0.000 2.916 266 T HA 0.862 5.212 4.350 -0.000 0.000 0.298 266 T C -1.114 173.634 174.700 0.079 0.000 1.031 266 T CA -0.683 61.422 62.100 0.007 0.000 0.993 266 T CB 1.627 70.480 68.868 -0.024 0.000 1.045 266 T HN 0.410 nan 8.240 nan 0.000 0.454 267 L N 1.603 122.881 121.223 0.092 0.000 2.401 267 L HA 0.693 5.033 4.340 -0.000 0.000 0.266 267 L C -0.468 176.476 176.870 0.123 0.000 0.991 267 L CA -0.914 54.023 54.840 0.161 0.000 0.818 267 L CB 2.362 44.532 42.059 0.184 0.000 1.321 267 L HN 0.639 nan 8.230 nan 0.000 0.413 268 E N 3.917 124.187 120.200 0.117 0.000 2.207 268 E HA 0.503 4.853 4.350 -0.000 0.000 0.250 268 E C -1.295 175.348 176.600 0.071 0.000 0.890 268 E CA -0.250 56.213 56.400 0.106 0.000 0.749 268 E CB 1.211 31.002 29.700 0.152 0.000 1.193 268 E HN 0.525 nan 8.360 nan 0.000 0.423 269 L N 1.252 122.539 121.223 0.106 0.000 2.793 269 L HA 0.698 5.038 4.340 -0.000 0.000 0.242 269 L C 1.330 178.244 176.870 0.073 0.000 1.315 269 L CA -1.004 53.901 54.840 0.108 0.000 1.263 269 L CB 0.131 42.297 42.059 0.178 0.000 2.076 269 L HN 0.429 nan 8.230 nan 0.000 0.575 270 G N -1.768 107.057 108.800 0.042 0.000 2.531 270 G HA2 0.622 4.582 3.960 -0.000 0.000 0.281 270 G HA3 0.622 4.582 3.960 -0.000 0.000 0.281 270 G C -0.626 174.079 174.900 -0.324 0.000 1.382 270 G CA 0.066 45.097 45.100 -0.114 0.000 1.045 270 G HN 0.830 nan 8.290 nan 0.000 0.533 271 G N -1.980 106.418 108.800 -0.669 0.000 2.554 271 G HA2 0.490 4.450 3.960 -0.000 0.000 0.306 271 G HA3 0.490 4.450 3.960 -0.000 0.000 0.306 271 G C -1.468 173.040 174.900 -0.653 0.000 1.320 271 G CA -0.442 44.178 45.100 -0.799 0.000 0.800 271 G HN 0.647 nan 8.290 nan 0.000 0.481 272 K N 0.474 120.753 120.400 -0.203 0.000 3.429 272 K HA 0.416 4.736 4.320 -0.000 0.000 0.166 272 K C -0.239 176.426 176.600 0.108 0.000 1.079 272 K CA -0.300 55.986 56.287 -0.001 0.000 0.750 272 K CB 0.188 32.774 32.500 0.143 0.000 0.883 272 K HN 0.462 nan 8.250 nan 0.000 0.549 273 S N 3.691 119.467 115.700 0.127 0.000 2.544 273 S HA 0.139 4.609 4.470 -0.000 0.000 0.290 273 S C -2.302 172.444 174.600 0.244 0.000 1.276 273 S CA -0.502 57.823 58.200 0.209 0.000 1.075 273 S CB 0.258 63.647 63.200 0.314 0.000 0.849 273 S HN 0.365 nan 8.310 nan 0.000 0.494 274 P HA 0.184 nan 4.420 nan 0.000 0.286 274 P C -1.059 176.460 177.300 0.365 0.000 1.269 274 P CA -0.601 62.712 63.100 0.356 0.000 0.787 274 P CB 0.497 32.421 31.700 0.373 0.000 0.920 275 N N 3.889 122.801 118.700 0.354 0.000 2.564 275 N HA 0.296 5.035 4.740 -0.000 0.000 0.248 275 N C -0.605 175.096 175.510 0.318 0.000 0.986 275 N CA -0.623 52.640 53.050 0.355 0.000 0.921 275 N CB 0.386 38.977 38.487 0.174 0.000 1.136 275 N HN 0.308 nan 8.380 nan 0.000 0.509 276 I N 4.461 125.222 120.570 0.318 0.000 2.337 276 I HA 0.230 4.400 4.170 -0.000 0.000 0.291 276 I C -0.048 176.253 176.117 0.305 0.000 1.046 276 I CA -0.558 60.893 61.300 0.251 0.000 1.324 276 I CB 0.891 38.919 38.000 0.048 0.000 1.409 276 I HN 0.364 nan 8.210 nan 0.000 0.494 277 I N 7.199 127.931 120.570 0.270 0.000 2.330 277 I HA 0.299 4.469 4.170 -0.000 0.000 0.286 277 I C 0.171 176.449 176.117 0.269 0.000 1.025 277 I CA -0.533 60.875 61.300 0.180 0.000 1.197 277 I CB 0.755 38.626 38.000 -0.215 0.000 1.358 277 I HN 0.482 nan 8.210 nan 0.000 0.467 278 M N 3.741 123.519 119.600 0.296 0.000 2.241 278 M HA 0.130 4.610 4.480 -0.000 0.000 0.335 278 M C 1.692 178.077 176.300 0.141 0.000 1.122 278 M CA -0.011 55.441 55.300 0.254 0.000 1.164 278 M CB 0.710 33.447 32.600 0.228 0.000 1.459 278 M HN 0.661 nan 8.290 nan 0.000 0.461 279 S N 0.422 116.166 115.700 0.073 0.000 2.469 279 S HA -0.161 4.309 4.470 -0.000 0.000 0.238 279 S C 0.741 175.388 174.600 0.079 0.000 0.998 279 S CA 1.365 59.594 58.200 0.048 0.000 0.957 279 S CB -0.567 62.637 63.200 0.007 0.000 0.764 279 S HN 0.740 nan 8.310 nan 0.000 0.514 280 D N 1.541 121.998 120.400 0.096 0.000 2.328 280 D HA 0.415 5.055 4.640 -0.000 0.000 0.221 280 D C 0.548 176.928 176.300 0.132 0.000 1.072 280 D CA 0.113 54.171 54.000 0.097 0.000 0.850 280 D CB -0.302 40.545 40.800 0.079 0.000 0.922 280 D HN 0.529 nan 8.370 nan 0.000 0.516 281 A N 0.386 123.311 122.820 0.174 0.000 2.366 281 A HA 0.184 4.504 4.320 -0.000 0.000 0.249 281 A C 0.292 178.019 177.584 0.238 0.000 1.084 281 A CA -0.469 51.717 52.037 0.248 0.000 0.794 281 A CB 0.255 19.451 19.000 0.328 0.000 1.034 281 A HN 0.184 nan 8.150 nan 0.000 0.491 282 D N 1.967 122.542 120.400 0.291 0.000 2.363 282 D HA 0.071 4.711 4.640 -0.000 0.000 0.263 282 D C 1.079 177.551 176.300 0.286 0.000 1.258 282 D CA -0.174 53.983 54.000 0.262 0.000 0.907 282 D CB 0.537 41.511 40.800 0.289 0.000 1.107 282 D HN 0.481 nan 8.370 nan 0.000 0.495 283 M N 4.504 124.228 119.600 0.207 0.000 2.082 283 M HA -0.210 4.270 4.480 -0.000 0.000 0.258 283 M C 1.216 177.610 176.300 0.156 0.000 1.071 283 M CA 1.739 57.151 55.300 0.186 0.000 1.103 283 M CB -0.360 32.318 32.600 0.130 0.000 1.307 283 M HN 0.361 nan 8.290 nan 0.000 0.409 284 D N -0.997 119.488 120.400 0.142 0.000 2.116 284 D HA -0.273 4.367 4.640 -0.000 0.000 0.193 284 D C 1.934 178.353 176.300 0.199 0.000 0.998 284 D CA 1.671 55.744 54.000 0.122 0.000 0.836 284 D CB -0.792 40.081 40.800 0.122 0.000 0.951 284 D HN 0.671 nan 8.370 nan 0.000 0.449 285 W N 1.687 123.029 121.300 0.070 0.000 2.355 285 W HA -0.165 4.495 4.660 -0.000 0.000 0.309 285 W C 2.322 178.905 176.519 0.106 0.000 1.206 285 W CA 1.473 58.885 57.345 0.112 0.000 1.284 285 W CB -0.026 29.540 29.460 0.177 0.000 1.145 285 W HN -0.043 nan 8.180 nan 0.000 0.502 286 A N 0.210 123.115 122.820 0.141 0.000 1.933 286 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 286 A C 1.988 179.489 177.584 -0.138 0.000 1.175 286 A CA 2.071 53.981 52.037 -0.211 0.000 0.628 286 A CB -1.092 17.939 19.000 0.052 0.000 0.814 286 A HN 0.177 nan 8.150 nan 0.000 0.444 287 V N -0.222 119.645 119.914 -0.077 0.000 2.307 287 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 287 V C 2.613 178.570 176.094 -0.228 0.000 1.045 287 V CA 2.343 64.445 62.300 -0.330 0.000 1.024 287 V CB -0.615 30.964 31.823 -0.406 0.000 0.651 287 V HN 0.662 nan 8.190 nan 0.000 0.449 288 E N -0.051 120.038 120.200 -0.185 0.000 2.072 288 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 288 E C 2.280 178.786 176.600 -0.156 0.000 0.985 288 E CA 1.235 57.545 56.400 -0.150 0.000 0.801 288 E CB -0.221 29.401 29.700 -0.131 0.000 0.750 288 E HN 0.483 nan 8.360 nan 0.000 0.452 289 Q N -0.441 119.135 119.800 -0.373 0.000 2.172 289 Q HA 0.017 4.357 4.340 -0.000 0.000 0.200 289 Q C 2.064 177.959 176.000 -0.175 0.000 0.964 289 Q CA 1.291 56.895 55.803 -0.332 0.000 0.855 289 Q CB -0.324 28.113 28.738 -0.502 0.000 0.918 289 Q HN 0.368 nan 8.270 nan 0.000 0.444 290 A N -0.003 122.690 122.820 -0.212 0.000 1.969 290 A HA -0.204 4.115 4.320 -0.000 0.000 0.218 290 A C 1.899 179.472 177.584 -0.019 0.000 1.169 290 A CA 1.732 53.697 52.037 -0.121 0.000 0.635 290 A CB -0.631 18.442 19.000 0.121 0.000 0.810 290 A HN 0.438 nan 8.150 nan 0.000 0.445 291 H N -1.466 117.598 119.070 -0.009 0.000 2.299 291 H HA -0.122 4.434 4.556 -0.000 0.000 0.302 291 H C 1.708 177.178 175.328 0.236 0.000 1.078 291 H CA 2.172 58.321 56.048 0.168 0.000 1.323 291 H CB -0.453 29.347 29.762 0.065 0.000 1.381 291 H HN 0.444 nan 8.280 nan 0.000 0.498 292 F N 0.792 120.767 119.950 0.041 0.000 2.161 292 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 292 F C 2.472 178.231 175.800 -0.069 0.000 1.089 292 F CA 1.407 59.409 58.000 0.003 0.000 1.282 292 F CB -0.576 38.393 39.000 -0.052 0.000 1.010 292 F HN 0.298 nan 8.300 nan 0.000 0.485 293 A N 0.078 122.757 122.820 -0.235 0.000 1.978 293 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 293 A C 2.086 179.372 177.584 -0.496 0.000 1.170 293 A CA 2.026 53.684 52.037 -0.632 0.000 0.636 293 A CB -0.888 17.424 19.000 -1.147 0.000 0.810 293 A HN 0.596 nan 8.150 nan 0.000 0.448 294 L N -3.208 117.774 121.223 -0.403 0.000 2.349 294 L HA 0.317 4.657 4.340 -0.000 0.000 0.200 294 L C 1.914 178.475 176.870 -0.515 0.000 1.064 294 L CA 0.762 55.322 54.840 -0.467 0.000 0.821 294 L CB 0.011 41.709 42.059 -0.602 0.000 1.027 294 L HN 0.268 nan 8.230 nan 0.000 0.476 295 F N -0.675 119.080 119.950 -0.324 0.000 2.558 295 F HA 0.013 4.540 4.527 -0.000 0.000 0.298 295 F C 0.982 176.649 175.800 -0.222 0.000 1.119 295 F CA 0.021 57.841 58.000 -0.299 0.000 1.451 295 F CB -0.362 38.362 39.000 -0.459 0.000 1.091 295 F HN -0.064 nan 8.300 nan 0.000 0.563 296 F N 2.334 122.115 119.950 -0.283 0.000 2.623 296 F HA -0.065 4.462 4.527 -0.000 0.000 0.383 296 F C 1.141 176.827 175.800 -0.190 0.000 1.077 296 F CA -0.053 57.757 58.000 -0.317 0.000 1.268 296 F CB 0.064 38.617 39.000 -0.745 0.000 1.053 296 F HN 0.127 nan 8.300 nan 0.000 0.571 297 N N 3.640 121.780 118.700 -0.934 0.000 2.738 297 N HA -0.290 4.450 4.740 -0.000 0.000 0.249 297 N C -0.037 175.186 175.510 -0.479 0.000 1.047 297 N CA 1.332 53.867 53.050 -0.858 0.000 0.707 297 N CB -1.030 36.732 38.487 -1.208 0.000 0.937 297 N HN 0.795 nan 8.380 nan 0.000 0.545 298 Q N -2.084 117.556 119.800 -0.267 0.000 2.468 298 Q HA -0.178 4.162 4.340 -0.000 0.000 0.256 298 Q C 1.253 177.148 176.000 -0.175 0.000 0.984 298 Q CA 2.309 58.027 55.803 -0.142 0.000 1.110 298 Q CB -1.822 26.838 28.738 -0.129 0.000 1.527 298 Q HN 1.255 nan 8.270 nan 0.000 0.535 299 G N -1.106 107.544 108.800 -0.251 0.000 2.184 299 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.264 299 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.264 299 G C 0.137 174.730 174.900 -0.512 0.000 0.975 299 G CA 0.436 45.348 45.100 -0.314 0.000 0.642 299 G HN 0.454 nan 8.290 nan 0.000 0.536 300 Q N 0.188 119.609 119.800 -0.631 0.000 3.181 300 Q HA 0.476 4.815 4.340 -0.000 0.000 0.293 300 Q C -0.239 175.092 176.000 -1.115 0.000 1.406 300 Q CA -0.054 55.036 55.803 -1.188 0.000 1.026 300 Q CB 0.188 28.605 28.738 -0.535 0.000 1.630 300 Q HN 0.419 nan 8.270 nan 0.000 0.553 301 C N -0.233 118.546 119.300 -0.869 0.000 2.481 301 C HA 0.184 4.644 4.460 -0.000 0.000 0.324 301 C C 1.909 176.950 174.990 0.085 0.000 1.170 301 C CA -1.251 57.681 59.018 -0.143 0.000 1.361 301 C CB 0.409 28.236 27.740 0.144 0.000 1.977 301 C HN 0.935 nan 8.230 nan 0.000 0.459 302 C N 0.094 119.603 119.300 0.349 0.000 2.411 302 C HA -0.106 4.354 4.460 -0.000 0.000 0.279 302 C C 1.864 177.063 174.990 0.348 0.000 1.288 302 C CA 1.441 60.707 59.018 0.415 0.000 1.764 302 C CB -2.165 25.783 27.740 0.346 0.000 1.974 302 C HN 0.945 nan 8.230 nan 0.000 0.498 303 C N 1.240 120.808 119.300 0.447 0.000 2.563 303 C HA 0.754 5.214 4.460 -0.000 0.000 0.307 303 C C 1.223 176.513 174.990 0.500 0.000 1.371 303 C CA -0.867 58.458 59.018 0.511 0.000 1.772 303 C CB -2.497 25.719 27.740 0.793 0.000 2.283 303 C HN 0.749 nan 8.230 nan 0.000 0.570 304 A N 0.997 123.996 122.820 0.299 0.000 2.511 304 A HA 0.479 4.799 4.320 -0.000 0.000 0.242 304 A C 1.146 178.813 177.584 0.139 0.000 1.069 304 A CA 0.741 52.874 52.037 0.160 0.000 0.763 304 A CB -0.059 18.926 19.000 -0.026 0.000 1.001 304 A HN 1.158 nan 8.150 nan 0.000 0.498 305 G N 1.791 110.564 108.800 -0.045 0.000 2.924 305 G HA2 0.310 4.270 3.960 -0.000 0.000 0.273 305 G HA3 0.310 4.270 3.960 -0.000 0.000 0.273 305 G C 0.914 175.746 174.900 -0.112 0.000 0.734 305 G CA 0.376 45.415 45.100 -0.102 0.000 2.065 305 G HN 1.130 nan 8.290 nan 0.000 0.580 306 S N 0.709 116.383 115.700 -0.043 0.000 2.603 306 S HA 0.140 4.610 4.470 -0.000 0.000 0.220 306 S C 1.017 175.572 174.600 -0.075 0.000 0.967 306 S CA -0.136 58.014 58.200 -0.082 0.000 0.920 306 S CB 0.396 63.554 63.200 -0.069 0.000 0.773 306 S HN 0.426 nan 8.310 nan 0.000 0.529 307 R N 1.764 122.233 120.500 -0.052 0.000 2.607 307 R HA 0.257 4.597 4.340 -0.000 0.000 0.278 307 R C -1.241 174.955 176.300 -0.174 0.000 1.637 307 R CA -0.094 55.910 56.100 -0.161 0.000 1.325 307 R CB 1.222 31.462 30.300 -0.100 0.000 1.211 307 R HN 0.146 nan 8.270 nan 0.000 0.565 308 T N 3.695 118.148 114.554 -0.168 0.000 2.863 308 T HA 0.235 4.585 4.350 -0.000 0.000 0.299 308 T C -0.084 174.557 174.700 -0.098 0.000 0.973 308 T CA 0.056 62.117 62.100 -0.065 0.000 0.994 308 T CB -0.219 68.656 68.868 0.011 0.000 0.961 308 T HN 0.154 nan 8.240 nan 0.000 0.552 309 F N 2.494 122.491 119.950 0.078 0.000 2.420 309 F HA 0.439 4.966 4.527 -0.000 0.000 0.352 309 F C 0.373 176.346 175.800 0.288 0.000 1.108 309 F CA -0.751 57.366 58.000 0.196 0.000 1.162 309 F CB 0.880 39.907 39.000 0.044 0.000 1.118 309 F HN 0.178 nan 8.300 nan 0.000 0.510 310 V N 3.775 123.961 119.914 0.453 0.000 2.487 310 V HA 0.244 4.364 4.120 -0.000 0.000 0.298 310 V C -0.151 175.855 176.094 -0.145 0.000 1.028 310 V CA -1.163 61.208 62.300 0.119 0.000 0.860 310 V CB 1.563 33.309 31.823 -0.129 0.000 0.991 310 V HN 0.647 nan 8.190 nan 0.000 0.427 311 Q N 2.538 122.021 119.800 -0.528 0.000 2.300 311 Q HA 0.008 4.348 4.340 -0.000 0.000 0.280 311 Q C 1.439 177.221 176.000 -0.363 0.000 1.033 311 Q CA 0.303 55.539 55.803 -0.946 0.000 0.903 311 Q CB 0.784 29.154 28.738 -0.615 0.000 1.195 311 Q HN 0.954 nan 8.270 nan 0.000 0.386 312 E N 2.672 122.671 120.200 -0.336 0.000 2.169 312 E HA -0.330 4.020 4.350 -0.000 0.000 0.202 312 E C 0.262 176.847 176.600 -0.024 0.000 1.016 312 E CA 1.826 58.150 56.400 -0.127 0.000 0.817 312 E CB 0.000 29.616 29.700 -0.140 0.000 0.736 312 E HN 0.619 nan 8.360 nan 0.000 0.462 313 D N 0.920 121.288 120.400 -0.053 0.000 2.264 313 D HA -0.082 4.558 4.640 -0.000 0.000 0.208 313 D C 1.957 178.277 176.300 0.034 0.000 0.966 313 D CA 1.406 55.403 54.000 -0.006 0.000 0.864 313 D CB 0.003 40.793 40.800 -0.017 0.000 0.933 313 D HN 0.646 nan 8.370 nan 0.000 0.499 314 I N -3.639 116.957 120.570 0.042 0.000 4.147 314 I HA 0.177 4.347 4.170 -0.000 0.000 0.329 314 I C 1.760 177.951 176.117 0.123 0.000 1.424 314 I CA -0.579 60.769 61.300 0.079 0.000 1.127 314 I CB -0.101 37.944 38.000 0.075 0.000 1.128 314 I HN -0.246 nan 8.210 nan 0.000 0.417 315 Y N 2.813 123.119 120.300 0.010 0.000 2.053 315 Y HA -0.314 4.236 4.550 -0.000 0.000 0.277 315 Y C 2.112 178.078 175.900 0.110 0.000 1.159 315 Y CA 2.386 60.513 58.100 0.045 0.000 1.125 315 Y CB -0.086 38.375 38.460 0.000 0.000 0.969 315 Y HN 0.193 nan 8.280 nan 0.000 0.492 316 D N 0.083 120.559 120.400 0.126 0.000 2.116 316 D HA -0.233 4.407 4.640 -0.000 0.000 0.193 316 D C 2.105 178.389 176.300 -0.028 0.000 0.998 316 D CA 1.845 55.866 54.000 0.036 0.000 0.836 316 D CB -0.469 40.397 40.800 0.110 0.000 0.951 316 D HN 0.615 nan 8.370 nan 0.000 0.449 317 E N -0.745 119.468 120.200 0.021 0.000 2.072 317 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 317 E C 2.081 178.677 176.600 -0.008 0.000 0.985 317 E CA 0.429 56.835 56.400 0.010 0.000 0.801 317 E CB -0.188 29.535 29.700 0.039 0.000 0.750 317 E HN 0.220 nan 8.360 nan 0.000 0.452 318 F N 0.759 120.638 119.950 -0.119 0.000 2.102 318 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 318 F C 2.112 177.806 175.800 -0.177 0.000 1.105 318 F CA 1.390 59.311 58.000 -0.131 0.000 1.239 318 F CB -0.283 38.642 39.000 -0.124 0.000 0.991 318 F HN -0.127 nan 8.300 nan 0.000 0.474 319 V N 0.306 120.161 119.914 -0.099 0.000 2.332 319 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 319 V C 2.347 178.340 176.094 -0.168 0.000 1.055 319 V CA 2.297 64.487 62.300 -0.184 0.000 1.038 319 V CB -0.732 30.881 31.823 -0.349 0.000 0.651 319 V HN 0.402 nan 8.190 nan 0.000 0.450 320 E N -0.024 120.090 120.200 -0.142 0.000 2.038 320 E HA -0.251 4.098 4.350 -0.000 0.000 0.195 320 E C 2.505 179.018 176.600 -0.144 0.000 1.000 320 E CA 1.527 57.861 56.400 -0.110 0.000 0.803 320 E CB -0.050 29.605 29.700 -0.076 0.000 0.750 320 E HN 0.527 nan 8.360 nan 0.000 0.448 321 R N -0.202 120.181 120.500 -0.196 0.000 2.092 321 R HA -0.028 4.312 4.340 -0.000 0.000 0.231 321 R C 2.574 178.704 176.300 -0.284 0.000 1.119 321 R CA 1.236 57.197 56.100 -0.231 0.000 0.970 321 R CB -0.088 30.057 30.300 -0.258 0.000 0.864 321 R HN 0.028 nan 8.270 nan 0.000 0.440 322 S N 0.312 115.795 115.700 -0.363 0.000 2.368 322 S HA -0.091 4.379 4.470 -0.000 0.000 0.224 322 S C 2.083 176.596 174.600 -0.145 0.000 1.029 322 S CA 1.131 59.155 58.200 -0.293 0.000 0.988 322 S CB -0.077 62.941 63.200 -0.304 0.000 0.838 322 S HN 0.066 nan 8.310 nan 0.000 0.462 323 V N 2.025 121.864 119.914 -0.126 0.000 2.358 323 V HA -0.171 3.949 4.120 -0.000 0.000 0.246 323 V C 2.654 178.682 176.094 -0.111 0.000 1.047 323 V CA 1.648 63.896 62.300 -0.087 0.000 1.035 323 V CB -1.205 30.575 31.823 -0.072 0.000 0.658 323 V HN 0.533 nan 8.190 nan 0.000 0.452 324 A N 0.273 123.015 122.820 -0.129 0.000 1.940 324 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 324 A C 2.303 179.783 177.584 -0.173 0.000 1.176 324 A CA 2.241 54.199 52.037 -0.131 0.000 0.631 324 A CB -0.504 18.422 19.000 -0.124 0.000 0.814 324 A HN 0.456 nan 8.150 nan 0.000 0.446 325 R N 0.052 120.413 120.500 -0.231 0.000 2.073 325 R HA 0.096 4.436 4.340 -0.000 0.000 0.229 325 R C 2.104 178.167 176.300 -0.396 0.000 1.120 325 R CA 1.774 57.655 56.100 -0.366 0.000 0.967 325 R CB -0.890 29.117 30.300 -0.488 0.000 0.862 325 R HN 0.363 nan 8.270 nan 0.000 0.436 326 A N 0.510 123.185 122.820 -0.243 0.000 1.969 326 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 326 A C 1.914 179.392 177.584 -0.176 0.000 1.169 326 A CA 1.348 53.262 52.037 -0.205 0.000 0.635 326 A CB -0.322 18.627 19.000 -0.085 0.000 0.810 326 A HN 0.330 nan 8.150 nan 0.000 0.445 327 K N 0.292 120.610 120.400 -0.138 0.000 2.217 327 K HA -0.060 4.260 4.320 -0.000 0.000 0.202 327 K C 1.778 178.313 176.600 -0.107 0.000 1.051 327 K CA 1.339 57.563 56.287 -0.106 0.000 0.952 327 K CB -0.037 32.410 32.500 -0.087 0.000 0.736 327 K HN 0.642 nan 8.250 nan 0.000 0.453 328 S N 0.281 115.900 115.700 -0.135 0.000 2.556 328 S HA 0.062 4.532 4.470 -0.000 0.000 0.216 328 S C 0.646 175.175 174.600 -0.117 0.000 0.970 328 S CA -0.452 57.678 58.200 -0.118 0.000 0.912 328 S CB 0.029 63.156 63.200 -0.122 0.000 0.790 328 S HN 0.121 nan 8.310 nan 0.000 0.504 329 R N 2.065 122.482 120.500 -0.139 0.000 2.404 329 R HA 0.259 4.599 4.340 -0.000 0.000 0.315 329 R C -0.924 175.339 176.300 -0.061 0.000 1.032 329 R CA -0.172 55.867 56.100 -0.102 0.000 0.992 329 R CB 0.279 30.497 30.300 -0.136 0.000 0.959 329 R HN 0.154 nan 8.270 nan 0.000 0.428 330 V N 6.294 126.190 119.914 -0.031 0.000 2.446 330 V HA 0.082 4.202 4.120 -0.000 0.000 0.276 330 V C 0.148 176.244 176.094 0.004 0.000 1.030 330 V CA -0.173 62.115 62.300 -0.018 0.000 1.033 330 V CB 1.110 32.927 31.823 -0.010 0.000 0.993 330 V HN 0.470 nan 8.190 nan 0.000 0.477 331 V N 4.935 124.847 119.914 -0.004 0.000 2.435 331 V HA 1.000 5.120 4.120 -0.000 0.000 0.290 331 V C 0.630 176.693 176.094 -0.053 0.000 1.030 331 V CA 0.511 62.830 62.300 0.032 0.000 0.881 331 V CB 1.075 32.935 31.823 0.062 0.000 0.983 331 V HN 1.140 nan 8.190 nan 0.000 0.445 332 G N 3.393 112.180 108.800 -0.022 0.000 2.335 332 G HA2 0.156 4.116 3.960 -0.000 0.000 0.291 332 G HA3 0.156 4.116 3.960 -0.000 0.000 0.291 332 G C -1.037 173.876 174.900 0.021 0.000 1.261 332 G CA -0.861 44.133 45.100 -0.177 0.000 0.871 332 G HN 0.625 nan 8.290 nan 0.000 0.491 333 N N 1.978 120.671 118.700 -0.011 0.000 2.414 333 N HA 0.149 4.889 4.740 -0.000 0.000 0.268 333 N C -0.505 175.071 175.510 0.109 0.000 1.286 333 N CA -1.079 52.037 53.050 0.109 0.000 0.896 333 N CB 1.340 39.877 38.487 0.084 0.000 1.093 333 N HN 0.154 nan 8.380 nan 0.000 0.480 334 P HA -0.153 nan 4.420 nan 0.000 0.221 334 P C 0.810 178.039 177.300 -0.119 0.000 1.145 334 P CA 1.286 64.348 63.100 -0.064 0.000 0.795 334 P CB -0.055 31.526 31.700 -0.198 0.000 0.775 335 F N -0.029 119.963 119.950 0.070 0.000 2.780 335 F HA 0.074 4.601 4.527 -0.000 0.000 0.299 335 F C 1.055 176.869 175.800 0.023 0.000 1.146 335 F CA -0.082 57.936 58.000 0.029 0.000 1.428 335 F CB -0.231 38.738 39.000 -0.050 0.000 1.115 335 F HN -0.098 nan 8.300 nan 0.000 0.583 336 D N -0.485 120.017 120.400 0.171 0.000 2.277 336 D HA 0.061 4.700 4.640 -0.000 0.000 0.249 336 D C 1.230 177.592 176.300 0.103 0.000 1.134 336 D CA 0.064 54.130 54.000 0.109 0.000 0.863 336 D CB 1.100 41.939 40.800 0.066 0.000 1.143 336 D HN 0.034 nan 8.370 nan 0.000 0.458 337 S N 3.060 118.820 115.700 0.100 0.000 2.462 337 S HA -0.234 4.236 4.470 -0.000 0.000 0.243 337 S C 1.553 176.194 174.600 0.070 0.000 1.003 337 S CA 0.895 59.153 58.200 0.097 0.000 0.970 337 S CB -0.086 63.164 63.200 0.082 0.000 0.762 337 S HN 0.465 nan 8.310 nan 0.000 0.510 338 K N 0.948 121.378 120.400 0.052 0.000 2.314 338 K HA 0.161 4.481 4.320 -0.000 0.000 0.198 338 K C 0.148 176.770 176.600 0.037 0.000 1.045 338 K CA 0.364 56.672 56.287 0.035 0.000 0.988 338 K CB -0.050 32.461 32.500 0.018 0.000 0.783 338 K HN 0.284 nan 8.250 nan 0.000 0.484 339 T N 1.715 116.297 114.554 0.046 0.000 2.817 339 T HA 0.012 4.362 4.350 -0.000 0.000 0.295 339 T C 0.645 175.381 174.700 0.060 0.000 0.958 339 T CA 0.312 62.441 62.100 0.048 0.000 1.157 339 T CB 0.873 69.776 68.868 0.058 0.000 0.898 339 T HN 0.202 nan 8.240 nan 0.000 0.536 340 E N 1.956 122.191 120.200 0.058 0.000 2.251 340 E HA 0.040 4.389 4.350 -0.000 0.000 0.194 340 E C 0.853 177.498 176.600 0.075 0.000 0.964 340 E CA 0.239 56.686 56.400 0.078 0.000 0.868 340 E CB 0.528 30.273 29.700 0.076 0.000 0.828 340 E HN 0.564 nan 8.360 nan 0.000 0.481 341 Q N 0.284 120.127 119.800 0.070 0.000 2.304 341 Q HA 0.434 4.774 4.340 -0.000 0.000 0.270 341 Q C -0.578 175.500 176.000 0.130 0.000 1.035 341 Q CA -0.626 55.222 55.803 0.076 0.000 0.781 341 Q CB 1.812 30.599 28.738 0.082 0.000 1.261 341 Q HN 0.125 nan 8.270 nan 0.000 0.444 342 G N 3.037 111.886 108.800 0.082 0.000 2.641 342 G HA2 0.612 4.572 3.960 -0.000 0.000 0.239 342 G HA3 0.612 4.572 3.960 -0.000 0.000 0.239 342 G C -2.555 172.321 174.900 -0.041 0.000 1.402 342 G CA -0.992 44.178 45.100 0.116 0.000 1.046 342 G HN 0.573 nan 8.290 nan 0.000 0.565 343 P HA 0.243 nan 4.420 nan 0.000 0.280 343 P C -0.880 176.245 177.300 -0.292 0.000 1.272 343 P CA -0.451 62.196 63.100 -0.756 0.000 0.819 343 P CB 1.208 32.154 31.700 -1.257 0.000 1.122 344 Q N 0.018 119.727 119.800 -0.152 0.000 2.443 344 Q HA 0.065 4.405 4.340 -0.000 0.000 0.232 344 Q C 1.369 177.254 176.000 -0.190 0.000 1.026 344 Q CA -0.382 55.366 55.803 -0.090 0.000 0.924 344 Q CB 0.298 29.057 28.738 0.034 0.000 1.256 344 Q HN 0.201 nan 8.270 nan 0.000 0.519 345 V N 0.615 120.337 119.914 -0.321 0.000 2.332 345 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 345 V C 0.410 176.215 176.094 -0.482 0.000 1.055 345 V CA 2.769 64.787 62.300 -0.469 0.000 1.038 345 V CB -0.076 31.172 31.823 -0.957 0.000 0.651 345 V HN 0.993 nan 8.190 nan 0.000 0.450 346 D N -3.444 116.575 120.400 -0.635 0.000 2.759 346 D HA 0.138 4.778 4.640 -0.000 0.000 0.321 346 D C 0.697 176.300 176.300 -1.161 0.000 1.267 346 D CA -0.100 53.400 54.000 -0.833 0.000 0.933 346 D CB 0.701 41.180 40.800 -0.535 0.000 1.431 346 D HN 0.011 nan 8.370 nan 0.000 0.504 347 E N -0.725 118.790 120.200 -1.140 0.000 2.106 347 E HA -0.143 4.206 4.350 -0.000 0.000 0.192 347 E C 1.215 177.691 176.600 -0.206 0.000 0.984 347 E CA 1.611 57.621 56.400 -0.649 0.000 0.806 347 E CB -0.053 29.510 29.700 -0.229 0.000 0.750 347 E HN 0.516 nan 8.360 nan 0.000 0.458 348 T N 1.120 115.549 114.554 -0.209 0.000 2.720 348 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 348 T C 1.783 176.442 174.700 -0.067 0.000 1.037 348 T CA 1.152 63.188 62.100 -0.107 0.000 1.144 348 T CB -0.112 68.693 68.868 -0.106 0.000 0.864 348 T HN 0.149 nan 8.240 nan 0.000 0.444 349 Q N -0.044 119.687 119.800 -0.115 0.000 2.083 349 Q HA 0.037 4.377 4.340 -0.000 0.000 0.198 349 Q C 2.070 178.100 176.000 0.049 0.000 0.969 349 Q CA 0.936 56.726 55.803 -0.020 0.000 0.838 349 Q CB -0.679 28.004 28.738 -0.092 0.000 0.900 349 Q HN 0.530 nan 8.270 nan 0.000 0.436 350 F N 2.011 121.865 119.950 -0.160 0.000 2.043 350 F HA -0.263 4.264 4.527 -0.000 0.000 0.297 350 F C 2.082 177.882 175.800 0.000 0.000 1.121 350 F CA 1.809 59.773 58.000 -0.060 0.000 1.199 350 F CB -0.067 38.898 39.000 -0.059 0.000 0.968 350 F HN -0.034 nan 8.300 nan 0.000 0.478 351 K N 0.023 120.416 120.400 -0.011 0.000 2.097 351 K HA -0.193 4.127 4.320 -0.000 0.000 0.205 351 K C 2.199 178.742 176.600 -0.095 0.000 1.050 351 K CA 1.516 57.744 56.287 -0.098 0.000 0.938 351 K CB -0.256 32.241 32.500 -0.005 0.000 0.718 351 K HN 0.199 nan 8.250 nan 0.000 0.442 352 K N 1.036 121.413 120.400 -0.038 0.000 2.057 352 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 352 K C 1.899 178.523 176.600 0.041 0.000 1.049 352 K CA 1.344 57.616 56.287 -0.025 0.000 0.931 352 K CB -0.038 32.500 32.500 0.062 0.000 0.714 352 K HN 0.050 nan 8.250 nan 0.000 0.440 353 I N 1.004 121.635 120.570 0.101 0.000 2.315 353 I HA -0.275 3.894 4.170 -0.000 0.000 0.248 353 I C 2.045 178.207 176.117 0.075 0.000 1.117 353 I CA 0.966 62.365 61.300 0.165 0.000 1.404 353 I CB -0.140 37.925 38.000 0.108 0.000 1.071 353 I HN 0.166 nan 8.210 nan 0.000 0.419 354 L N 0.310 121.486 121.223 -0.079 0.000 2.141 354 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 354 L C 2.651 179.495 176.870 -0.043 0.000 1.094 354 L CA 1.362 56.141 54.840 -0.102 0.000 0.763 354 L CB -1.027 40.886 42.059 -0.243 0.000 0.908 354 L HN 0.317 nan 8.230 nan 0.000 0.437 355 G N -1.080 107.669 108.800 -0.084 0.000 2.408 355 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 355 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 355 G C 1.380 176.213 174.900 -0.112 0.000 1.150 355 G CA 0.474 45.494 45.100 -0.133 0.000 0.776 355 G HN 0.304 nan 8.290 nan 0.000 0.542 356 Y N 0.383 120.688 120.300 0.008 0.000 2.242 356 Y HA 0.048 4.598 4.550 -0.000 0.000 0.291 356 Y C 2.737 178.662 175.900 0.041 0.000 1.137 356 Y CA 0.481 58.591 58.100 0.017 0.000 1.181 356 Y CB 0.008 38.487 38.460 0.032 0.000 0.989 356 Y HN 0.117 nan 8.280 nan 0.000 0.527 357 I N 0.020 120.736 120.570 0.244 0.000 2.252 357 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 357 I C 2.477 178.733 176.117 0.233 0.000 1.102 357 I CA 1.373 62.859 61.300 0.310 0.000 1.385 357 I CB -0.467 37.670 38.000 0.230 0.000 1.064 357 I HN 0.376 nan 8.210 nan 0.000 0.414 358 N N 0.709 119.477 118.700 0.114 0.000 2.120 358 N HA -0.175 4.565 4.740 -0.000 0.000 0.188 358 N C 1.720 177.254 175.510 0.039 0.000 1.024 358 N CA 2.084 55.175 53.050 0.067 0.000 0.852 358 N CB 0.039 38.535 38.487 0.016 0.000 1.003 358 N HN 0.258 nan 8.380 nan 0.000 0.424 359 T N -0.217 114.347 114.554 0.016 0.000 2.788 359 T HA -0.060 4.290 4.350 -0.000 0.000 0.268 359 T C 1.794 176.458 174.700 -0.061 0.000 1.044 359 T CA 1.325 63.418 62.100 -0.011 0.000 1.139 359 T CB -0.730 68.142 68.868 0.007 0.000 0.867 359 T HN 0.457 nan 8.240 nan 0.000 0.454 360 G N 1.519 110.238 108.800 -0.134 0.000 2.418 360 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 360 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 360 G C 1.634 176.335 174.900 -0.331 0.000 1.158 360 G CA 0.787 45.601 45.100 -0.477 0.000 0.771 360 G HN 0.420 nan 8.290 nan 0.000 0.545 361 K N -0.182 120.200 120.400 -0.030 0.000 2.097 361 K HA -0.008 4.312 4.320 -0.000 0.000 0.205 361 K C 2.524 179.146 176.600 0.036 0.000 1.050 361 K CA 1.110 57.463 56.287 0.109 0.000 0.938 361 K CB -0.152 32.454 32.500 0.177 0.000 0.718 361 K HN 0.381 nan 8.250 nan 0.000 0.442 362 Q N 1.321 121.126 119.800 0.008 0.000 2.084 362 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 362 Q C 1.286 177.279 176.000 -0.011 0.000 0.978 362 Q CA 1.726 57.530 55.803 0.001 0.000 0.844 362 Q CB 0.145 28.880 28.738 -0.004 0.000 0.898 362 Q HN 0.445 nan 8.270 nan 0.000 0.426 363 E N -1.576 118.602 120.200 -0.037 0.000 2.463 363 E HA 0.106 4.456 4.350 -0.000 0.000 0.191 363 E C 0.739 177.319 176.600 -0.034 0.000 1.083 363 E CA 0.464 56.841 56.400 -0.038 0.000 0.872 363 E CB 0.366 30.037 29.700 -0.050 0.000 0.966 363 E HN 0.489 nan 8.360 nan 0.000 0.491 364 G N 0.622 109.410 108.800 -0.020 0.000 2.176 364 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.232 364 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.232 364 G C 0.374 175.282 174.900 0.014 0.000 0.986 364 G CA -0.160 44.942 45.100 0.004 0.000 0.643 364 G HN 0.659 nan 8.290 nan 0.000 0.522 365 A N 0.259 123.059 122.820 -0.033 0.000 2.440 365 A HA 0.584 4.904 4.320 -0.000 0.000 0.251 365 A C 0.666 178.381 177.584 0.218 0.000 1.089 365 A CA 0.605 52.646 52.037 0.006 0.000 0.779 365 A CB 0.392 19.207 19.000 -0.309 0.000 1.022 365 A HN 0.565 nan 8.150 nan 0.000 0.492 366 K N 2.750 123.303 120.400 0.256 0.000 2.310 366 K HA 0.237 4.557 4.320 -0.000 0.000 0.290 366 K C -0.713 176.065 176.600 0.296 0.000 1.077 366 K CA -0.464 55.968 56.287 0.241 0.000 0.922 366 K CB 0.104 32.703 32.500 0.165 0.000 1.057 366 K HN 0.579 nan 8.250 nan 0.000 0.479 367 L N 6.532 127.889 121.223 0.223 0.000 2.456 367 L HA 0.075 4.414 4.340 -0.000 0.000 0.277 367 L C 0.307 177.139 176.870 -0.063 0.000 1.124 367 L CA 0.560 55.365 54.840 -0.057 0.000 0.880 367 L CB 0.432 42.462 42.059 -0.048 0.000 1.192 367 L HN 0.793 nan 8.230 nan 0.000 0.463 368 L N 4.816 125.972 121.223 -0.112 0.000 2.463 368 L HA 0.211 4.551 4.340 -0.000 0.000 0.219 368 L C 0.452 177.278 176.870 -0.074 0.000 1.088 368 L CA 0.221 55.027 54.840 -0.056 0.000 0.849 368 L CB -0.066 41.978 42.059 -0.025 0.000 1.012 368 L HN 0.833 nan 8.230 nan 0.000 0.468 369 C N -3.190 116.039 119.300 -0.118 0.000 3.253 369 C HA 0.716 5.176 4.460 -0.000 0.000 0.342 369 C C 0.642 175.566 174.990 -0.110 0.000 1.306 369 C CA -0.657 58.307 59.018 -0.090 0.000 1.207 369 C CB 0.799 28.500 27.740 -0.065 0.000 1.479 369 C HN 0.630 nan 8.230 nan 0.000 0.469 370 G N 0.948 109.706 108.800 -0.070 0.000 2.547 370 G HA2 0.366 4.326 3.960 -0.000 0.000 0.271 370 G HA3 0.366 4.326 3.960 -0.000 0.000 0.271 370 G C 1.316 176.175 174.900 -0.069 0.000 1.209 370 G CA 2.304 47.373 45.100 -0.052 0.000 0.959 370 G HN 3.344 nan 8.290 nan 0.000 0.563 371 G N -2.318 106.447 108.800 -0.058 0.000 2.201 371 G HA2 0.443 4.403 3.960 -0.000 0.000 0.212 371 G HA3 0.443 4.403 3.960 -0.000 0.000 0.212 371 G C 1.406 176.307 174.900 0.001 0.000 0.994 371 G CA 0.974 46.047 45.100 -0.044 0.000 0.644 371 G HN 2.564 nan 8.290 nan 0.000 0.508 372 G N -0.930 107.877 108.800 0.011 0.000 2.921 372 G HA2 0.679 4.639 3.960 -0.000 0.000 0.291 372 G HA3 0.679 4.639 3.960 -0.000 0.000 0.291 372 G C -0.290 174.642 174.900 0.054 0.000 1.370 372 G CA -0.780 44.332 45.100 0.021 0.000 0.847 372 G HN 0.603 nan 8.290 nan 0.000 0.532 373 I N 1.109 121.728 120.570 0.082 0.000 2.692 373 I HA 0.250 4.420 4.170 -0.000 0.000 0.284 373 I C 1.440 177.655 176.117 0.162 0.000 1.159 373 I CA 0.033 61.446 61.300 0.188 0.000 1.423 373 I CB 1.676 39.824 38.000 0.247 0.000 1.380 373 I HN 0.550 nan 8.210 nan 0.000 0.580 374 A N 4.954 127.902 122.820 0.213 0.000 2.220 374 A HA 0.665 4.985 4.320 -0.000 0.000 0.211 374 A C 0.724 178.338 177.584 0.049 0.000 1.176 374 A CA 0.590 52.702 52.037 0.124 0.000 0.834 374 A CB 0.159 19.247 19.000 0.146 0.000 0.868 374 A HN 0.802 nan 8.150 nan 0.000 0.488 375 A N -0.226 122.656 122.820 0.103 0.000 2.604 375 A HA 0.510 4.830 4.320 -0.000 0.000 0.295 375 A C -0.019 177.600 177.584 0.059 0.000 1.067 375 A CA 0.131 52.169 52.037 0.001 0.000 0.683 375 A CB 0.313 19.199 19.000 -0.190 0.000 1.281 375 A HN 0.216 nan 8.150 nan 0.000 0.407 376 D N 0.242 120.646 120.400 0.007 0.000 2.269 376 D HA 0.008 4.648 4.640 -0.000 0.000 0.208 376 D C 0.754 177.041 176.300 -0.021 0.000 0.963 376 D CA 0.899 54.905 54.000 0.011 0.000 0.864 376 D CB 0.267 41.063 40.800 -0.005 0.000 0.936 376 D HN 0.438 nan 8.370 nan 0.000 0.505 377 R N -0.137 120.344 120.500 -0.030 0.000 2.562 377 R HA 0.512 4.852 4.340 -0.000 0.000 0.298 377 R C 0.034 176.328 176.300 -0.010 0.000 0.961 377 R CA 0.137 56.198 56.100 -0.066 0.000 0.881 377 R CB 1.354 31.622 30.300 -0.054 0.000 1.159 377 R HN 0.239 nan 8.270 nan 0.000 0.450 378 G N 2.116 110.744 108.800 -0.287 0.000 2.660 378 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.247 378 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.247 378 G C -1.068 173.275 174.900 -0.928 0.000 1.328 378 G CA -0.458 44.319 45.100 -0.539 0.000 0.884 378 G HN 0.633 nan 8.290 nan 0.000 0.531 379 Y N -0.084 119.803 120.300 -0.688 0.000 2.724 379 Y HA 0.546 5.096 4.550 -0.000 0.000 0.370 379 Y C 0.542 176.192 175.900 -0.417 0.000 0.978 379 Y CA -0.736 56.801 58.100 -0.939 0.000 1.443 379 Y CB 0.130 38.178 38.460 -0.686 0.000 1.386 379 Y HN 0.344 nan 8.280 nan 0.000 0.557 380 F N 1.676 121.638 119.950 0.019 0.000 2.410 380 F HA 0.459 4.986 4.527 -0.000 0.000 0.348 380 F C 0.278 176.271 175.800 0.322 0.000 1.106 380 F CA -0.611 57.481 58.000 0.154 0.000 1.163 380 F CB 0.633 39.662 39.000 0.049 0.000 1.129 380 F HN 0.018 nan 8.300 nan 0.000 0.516 381 I N 2.495 123.308 120.570 0.405 0.000 2.608 381 I HA 0.251 4.421 4.170 -0.000 0.000 0.295 381 I C -0.568 175.668 176.117 0.198 0.000 1.049 381 I CA -1.077 60.391 61.300 0.280 0.000 1.063 381 I CB 2.088 40.209 38.000 0.201 0.000 1.248 381 I HN 0.513 nan 8.210 nan 0.000 0.424 382 Q N 5.318 125.200 119.800 0.137 0.000 2.352 382 Q HA 0.208 4.548 4.340 -0.000 0.000 0.260 382 Q C -2.330 173.730 176.000 0.100 0.000 0.976 382 Q CA -1.554 54.303 55.803 0.090 0.000 0.881 382 Q CB 0.232 28.999 28.738 0.047 0.000 1.235 382 Q HN 0.241 nan 8.270 nan 0.000 0.419 383 P HA -0.017 nan 4.420 nan 0.000 0.264 383 P C -1.138 176.253 177.300 0.152 0.000 1.229 383 P CA 0.421 63.616 63.100 0.159 0.000 0.780 383 P CB 0.528 32.129 31.700 -0.164 0.000 0.808 384 T N 3.154 117.831 114.554 0.205 0.000 2.794 384 T HA 0.436 4.786 4.350 -0.000 0.000 0.280 384 T C -0.127 174.579 174.700 0.011 0.000 0.987 384 T CA -0.426 61.683 62.100 0.014 0.000 0.993 384 T CB 0.920 69.745 68.868 -0.072 0.000 0.939 384 T HN -0.051 nan 8.240 nan 0.000 0.449 385 V N 3.872 123.712 119.914 -0.123 0.000 2.487 385 V HA 0.523 4.643 4.120 -0.000 0.000 0.298 385 V C -0.962 175.001 176.094 -0.218 0.000 1.028 385 V CA -0.886 61.376 62.300 -0.062 0.000 0.860 385 V CB 1.326 33.173 31.823 0.039 0.000 0.991 385 V HN 0.838 nan 8.190 nan 0.000 0.427 386 F N 2.384 122.365 119.950 0.053 0.000 2.444 386 F HA 0.755 5.282 4.527 -0.000 0.000 0.342 386 F C 0.874 176.713 175.800 0.066 0.000 1.121 386 F CA -0.362 57.668 58.000 0.049 0.000 0.997 386 F CB 2.099 41.118 39.000 0.032 0.000 1.130 386 F HN 0.597 nan 8.300 nan 0.000 0.454 387 G N 0.888 109.864 108.800 0.293 0.000 2.471 387 G HA2 0.372 4.332 3.960 -0.000 0.000 0.332 387 G HA3 0.372 4.332 3.960 -0.000 0.000 0.332 387 G C -0.596 174.449 174.900 0.242 0.000 1.176 387 G CA -0.610 44.648 45.100 0.262 0.000 0.949 387 G HN 0.733 nan 8.290 nan 0.000 0.488 388 D N -1.025 119.527 120.400 0.253 0.000 2.772 388 D HA -0.166 4.474 4.640 -0.000 0.000 0.233 388 D C 0.586 176.928 176.300 0.069 0.000 1.143 388 D CA 0.643 54.714 54.000 0.118 0.000 0.700 388 D CB -1.212 39.644 40.800 0.093 0.000 1.076 388 D HN 0.209 nan 8.370 nan 0.000 0.430 389 V N 0.766 120.721 119.914 0.067 0.000 2.686 389 V HA 0.067 4.187 4.120 -0.000 0.000 0.295 389 V C 0.854 176.942 176.094 -0.011 0.000 1.055 389 V CA 0.155 62.458 62.300 0.006 0.000 1.050 389 V CB 1.720 33.532 31.823 -0.017 0.000 0.984 389 V HN 0.054 nan 8.190 nan 0.000 0.482 390 Q N 1.828 121.619 119.800 -0.016 0.000 2.348 390 Q HA 0.342 4.682 4.340 -0.000 0.000 0.271 390 Q C 0.395 176.401 176.000 0.009 0.000 1.067 390 Q CA -0.793 55.013 55.803 0.006 0.000 0.839 390 Q CB 1.540 30.283 28.738 0.009 0.000 1.354 390 Q HN 0.667 nan 8.270 nan 0.000 0.447 391 D N 1.257 121.684 120.400 0.045 0.000 2.158 391 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 391 D C 1.517 177.840 176.300 0.038 0.000 0.995 391 D CA 1.842 55.879 54.000 0.062 0.000 0.846 391 D CB -0.119 40.739 40.800 0.097 0.000 0.941 391 D HN 0.837 nan 8.370 nan 0.000 0.456 392 G N -0.264 108.552 108.800 0.026 0.000 2.650 392 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.214 392 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.214 392 G C 0.752 175.656 174.900 0.007 0.000 1.136 392 G CA -0.152 44.959 45.100 0.017 0.000 0.789 392 G HN 0.174 nan 8.290 nan 0.000 0.536 393 M N 0.740 120.336 119.600 -0.007 0.000 2.248 393 M HA 0.125 4.604 4.480 -0.000 0.000 0.337 393 M C 1.824 178.116 176.300 -0.014 0.000 1.121 393 M CA -0.084 55.200 55.300 -0.026 0.000 1.155 393 M CB 0.938 33.501 32.600 -0.062 0.000 1.514 393 M HN -0.062 nan 8.290 nan 0.000 0.452 394 T N 2.597 117.149 114.554 -0.003 0.000 2.684 394 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 394 T C 1.539 176.254 174.700 0.026 0.000 1.036 394 T CA 1.801 63.926 62.100 0.041 0.000 1.148 394 T CB -0.463 68.454 68.868 0.081 0.000 0.863 394 T HN 0.778 nan 8.240 nan 0.000 0.436 395 I N -0.291 120.261 120.570 -0.031 0.000 2.916 395 I HA 0.169 4.339 4.170 -0.000 0.000 0.267 395 I C 2.172 178.237 176.117 -0.087 0.000 1.263 395 I CA 0.887 62.134 61.300 -0.088 0.000 1.471 395 I CB -0.389 37.507 38.000 -0.175 0.000 1.089 395 I HN 0.089 nan 8.210 nan 0.000 0.468 396 A N 0.827 123.614 122.820 -0.056 0.000 2.308 396 A HA 0.231 4.551 4.320 -0.000 0.000 0.217 396 A C 2.052 179.643 177.584 0.012 0.000 1.216 396 A CA 0.042 52.056 52.037 -0.038 0.000 0.864 396 A CB -0.038 18.940 19.000 -0.038 0.000 0.902 396 A HN 0.442 nan 8.150 nan 0.000 0.499 397 K N -0.453 119.963 120.400 0.027 0.000 2.443 397 K HA 0.165 4.485 4.320 -0.000 0.000 0.200 397 K C -0.179 176.493 176.600 0.120 0.000 1.278 397 K CA 0.150 56.483 56.287 0.077 0.000 0.925 397 K CB 0.719 33.257 32.500 0.063 0.000 1.225 397 K HN 0.394 nan 8.250 nan 0.000 0.514 398 E N 1.963 122.197 120.200 0.057 0.000 2.242 398 E HA 0.095 4.445 4.350 -0.000 0.000 0.275 398 E C -0.962 175.564 176.600 -0.123 0.000 1.002 398 E CA -0.309 56.119 56.400 0.047 0.000 0.841 398 E CB 1.668 31.426 29.700 0.097 0.000 1.109 398 E HN 0.064 nan 8.360 nan 0.000 0.394 399 E N 2.979 123.137 120.200 -0.069 0.000 2.220 399 E HA 0.012 4.362 4.350 -0.000 0.000 0.272 399 E C 0.352 176.803 176.600 -0.249 0.000 1.099 399 E CA -0.016 56.301 56.400 -0.137 0.000 0.907 399 E CB 0.377 29.999 29.700 -0.129 0.000 1.022 399 E HN 0.519 nan 8.360 nan 0.000 0.428 400 I N 4.338 124.726 120.570 -0.303 0.000 2.480 400 I HA -0.077 4.093 4.170 -0.000 0.000 0.251 400 I C 0.488 176.671 176.117 0.110 0.000 1.124 400 I CA 0.075 61.168 61.300 -0.345 0.000 1.444 400 I CB 0.066 37.879 38.000 -0.313 0.000 1.098 400 I HN 0.671 nan 8.210 nan 0.000 0.428 401 F N 1.617 121.512 119.950 -0.091 0.000 3.080 401 F HA -0.174 4.353 4.527 -0.000 0.000 0.292 401 F C 0.455 176.266 175.800 0.019 0.000 0.891 401 F CA 0.629 58.622 58.000 -0.013 0.000 1.086 401 F CB -1.405 37.636 39.000 0.069 0.000 1.095 401 F HN 0.162 nan 8.300 nan 0.000 0.633 402 G N -0.667 108.137 108.800 0.005 0.000 2.727 402 G HA2 0.645 4.605 3.960 -0.000 0.000 0.289 402 G HA3 0.645 4.605 3.960 -0.000 0.000 0.289 402 G C -2.919 171.928 174.900 -0.088 0.000 1.418 402 G CA -0.681 44.414 45.100 -0.009 0.000 0.818 402 G HN -0.140 nan 8.290 nan 0.000 0.486 403 P HA 0.245 nan 4.420 nan 0.000 0.225 403 P C -0.600 176.692 177.300 -0.013 0.000 1.768 403 P CA -0.010 63.095 63.100 0.009 0.000 0.943 403 P CB 0.123 31.986 31.700 0.272 0.000 1.936 404 V N 2.765 122.584 119.914 -0.159 0.000 2.380 404 V HA 0.338 4.458 4.120 -0.000 0.000 0.286 404 V C 0.295 176.299 176.094 -0.150 0.000 1.015 404 V CA -0.654 61.617 62.300 -0.048 0.000 0.834 404 V CB 1.897 33.773 31.823 0.088 0.000 1.009 404 V HN 0.286 nan 8.190 nan 0.000 0.428 405 M N 4.030 123.545 119.600 -0.142 0.000 2.233 405 M HA 0.572 5.052 4.480 -0.000 0.000 0.355 405 M C -0.759 175.572 176.300 0.051 0.000 1.191 405 M CA -0.309 54.910 55.300 -0.135 0.000 1.101 405 M CB 1.411 33.939 32.600 -0.121 0.000 1.592 405 M HN 0.624 nan 8.290 nan 0.000 0.461 406 Q N 5.038 124.844 119.800 0.009 0.000 2.348 406 Q HA 0.570 4.910 4.340 -0.000 0.000 0.265 406 Q C -1.306 174.699 176.000 0.007 0.000 0.998 406 Q CA 0.044 55.870 55.803 0.039 0.000 0.831 406 Q CB 1.733 30.449 28.738 -0.037 0.000 1.251 406 Q HN 0.693 nan 8.270 nan 0.000 0.456 407 I N 4.133 124.751 120.570 0.080 0.000 2.362 407 I HA 0.397 4.567 4.170 -0.000 0.000 0.289 407 I C -0.962 175.232 176.117 0.129 0.000 0.994 407 I CA -0.888 60.477 61.300 0.108 0.000 1.158 407 I CB 0.866 38.979 38.000 0.189 0.000 1.315 407 I HN 0.329 nan 8.210 nan 0.000 0.451 408 L N 6.484 127.721 121.223 0.023 0.000 2.333 408 L HA 0.541 4.881 4.340 -0.000 0.000 0.269 408 L C -0.144 176.842 176.870 0.193 0.000 1.010 408 L CA -0.538 54.312 54.840 0.017 0.000 0.818 408 L CB 1.456 43.355 42.059 -0.266 0.000 1.306 408 L HN 0.448 nan 8.230 nan 0.000 0.430 409 K N 1.824 122.279 120.400 0.091 0.000 2.164 409 K HA 0.709 5.029 4.320 -0.000 0.000 0.258 409 K C -1.443 175.283 176.600 0.211 0.000 0.951 409 K CA -0.454 55.841 56.287 0.013 0.000 0.844 409 K CB 1.249 33.466 32.500 -0.471 0.000 1.099 409 K HN 0.540 nan 8.250 nan 0.000 0.435 410 F N 1.091 121.092 119.950 0.085 0.000 2.643 410 F HA 0.459 4.986 4.527 -0.000 0.000 0.314 410 F C 0.210 176.034 175.800 0.040 0.000 1.096 410 F CA -0.935 57.115 58.000 0.083 0.000 0.953 410 F CB 1.574 40.649 39.000 0.126 0.000 1.345 410 F HN 0.532 nan 8.300 nan 0.000 0.468 411 K N -0.043 120.436 120.400 0.131 0.000 2.273 411 K HA 0.213 4.533 4.320 -0.000 0.000 0.206 411 K C 0.213 176.880 176.600 0.111 0.000 1.072 411 K CA 1.040 57.327 56.287 -0.000 0.000 0.953 411 K CB 0.274 32.789 32.500 0.024 0.000 1.043 411 K HN 0.908 nan 8.250 nan 0.000 0.477 412 T N -1.930 112.771 114.554 0.247 0.000 2.952 412 T HA 0.281 4.631 4.350 -0.000 0.000 0.286 412 T C 1.156 176.009 174.700 0.254 0.000 1.024 412 T CA -0.854 61.364 62.100 0.197 0.000 1.029 412 T CB 1.483 70.405 68.868 0.091 0.000 1.094 412 T HN 0.177 nan 8.240 nan 0.000 0.515 413 I N 0.238 120.884 120.570 0.125 0.000 2.353 413 I HA -0.051 4.119 4.170 -0.000 0.000 0.248 413 I C 2.106 178.245 176.117 0.036 0.000 1.119 413 I CA 1.291 62.618 61.300 0.045 0.000 1.417 413 I CB -0.030 37.918 38.000 -0.086 0.000 1.078 413 I HN 0.732 nan 8.210 nan 0.000 0.421 414 E N 0.718 120.944 120.200 0.043 0.000 2.072 414 E HA -0.277 4.073 4.350 -0.000 0.000 0.191 414 E C 1.914 178.530 176.600 0.027 0.000 0.985 414 E CA 1.344 57.798 56.400 0.089 0.000 0.801 414 E CB -0.253 29.489 29.700 0.070 0.000 0.750 414 E HN 0.532 nan 8.360 nan 0.000 0.452 415 E N 0.584 120.796 120.200 0.019 0.000 2.017 415 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 415 E C 2.139 178.666 176.600 -0.121 0.000 0.997 415 E CA 1.392 57.790 56.400 -0.003 0.000 0.804 415 E CB -0.162 29.582 29.700 0.072 0.000 0.757 415 E HN 0.169 nan 8.360 nan 0.000 0.448 416 V N 0.601 120.359 119.914 -0.259 0.000 2.392 416 V HA -0.216 3.904 4.120 -0.000 0.000 0.249 416 V C 2.363 178.149 176.094 -0.514 0.000 1.059 416 V CA 1.650 63.566 62.300 -0.640 0.000 1.051 416 V CB -0.086 30.965 31.823 -1.287 0.000 0.658 416 V HN 0.260 nan 8.190 nan 0.000 0.455 417 V N 0.704 120.455 119.914 -0.272 0.000 2.287 417 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 417 V C 2.687 178.676 176.094 -0.176 0.000 1.053 417 V CA 2.249 64.435 62.300 -0.190 0.000 1.027 417 V CB -1.463 30.317 31.823 -0.072 0.000 0.646 417 V HN 0.641 nan 8.190 nan 0.000 0.447 418 G N -0.410 108.311 108.800 -0.130 0.000 2.422 418 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 418 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 418 G C 1.753 176.594 174.900 -0.097 0.000 1.146 418 G CA 0.625 45.671 45.100 -0.090 0.000 0.769 418 G HN 0.454 nan 8.290 nan 0.000 0.547 419 R N 0.365 120.773 120.500 -0.154 0.000 2.115 419 R HA 0.167 4.507 4.340 -0.000 0.000 0.226 419 R C 2.969 179.198 176.300 -0.119 0.000 1.100 419 R CA 0.922 56.958 56.100 -0.106 0.000 0.980 419 R CB -0.245 29.995 30.300 -0.100 0.000 0.875 419 R HN 0.338 nan 8.270 nan 0.000 0.445 420 A N 1.519 124.143 122.820 -0.327 0.000 1.898 420 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 420 A C 1.595 179.143 177.584 -0.060 0.000 1.181 420 A CA 1.274 53.184 52.037 -0.213 0.000 0.620 420 A CB -0.253 18.552 19.000 -0.327 0.000 0.819 420 A HN 0.197 nan 8.150 nan 0.000 0.442 421 N N 0.368 119.016 118.700 -0.087 0.000 2.467 421 N HA -0.052 4.688 4.740 -0.000 0.000 0.184 421 N C 0.278 175.779 175.510 -0.015 0.000 1.106 421 N CA 0.300 53.319 53.050 -0.051 0.000 0.892 421 N CB -0.400 38.044 38.487 -0.071 0.000 0.969 421 N HN 0.377 nan 8.380 nan 0.000 0.454 422 N N 0.977 119.675 118.700 -0.002 0.000 3.050 422 N HA 0.044 4.784 4.740 -0.000 0.000 0.289 422 N C -1.273 174.260 175.510 0.038 0.000 1.209 422 N CA 0.111 53.170 53.050 0.015 0.000 1.154 422 N CB -0.246 38.254 38.487 0.020 0.000 1.444 422 N HN -0.086 nan 8.380 nan 0.000 0.529 423 S N -0.150 115.568 115.700 0.029 0.000 2.547 423 S HA 0.307 4.777 4.470 -0.000 0.000 0.270 423 S C 0.597 175.188 174.600 -0.014 0.000 1.150 423 S CA -0.546 57.676 58.200 0.037 0.000 0.850 423 S CB 0.746 64.014 63.200 0.114 0.000 1.118 423 S HN 0.233 nan 8.310 nan 0.000 0.461 424 T N 2.183 116.669 114.554 -0.113 0.000 3.088 424 T HA 0.227 4.577 4.350 -0.000 0.000 0.259 424 T C -0.212 174.367 174.700 -0.201 0.000 1.122 424 T CA 0.870 62.849 62.100 -0.202 0.000 1.095 424 T CB -0.313 68.350 68.868 -0.342 0.000 0.930 424 T HN 0.521 nan 8.240 nan 0.000 0.508 425 Y N -0.264 120.057 120.300 0.035 0.000 2.432 425 Y HA 0.569 5.119 4.550 -0.000 0.000 0.322 425 Y C 1.194 177.113 175.900 0.032 0.000 1.246 425 Y CA -0.950 57.174 58.100 0.040 0.000 1.268 425 Y CB 1.646 40.136 38.460 0.049 0.000 1.276 425 Y HN -0.022 nan 8.280 nan 0.000 0.499 426 G N 1.187 110.121 108.800 0.224 0.000 5.515 426 G HA2 0.059 4.019 3.960 -0.000 0.000 0.198 426 G HA3 0.059 4.019 3.960 -0.000 0.000 0.198 426 G C -0.155 174.755 174.900 0.018 0.000 0.858 426 G CA -0.289 44.859 45.100 0.080 0.000 0.634 426 G HN 0.548 nan 8.290 nan 0.000 0.290 427 L N 0.565 121.804 121.223 0.026 0.000 2.044 427 L HA 0.727 5.067 4.340 -0.000 0.000 0.205 427 L C 1.094 177.865 176.870 -0.165 0.000 1.075 427 L CA 2.314 57.114 54.840 -0.066 0.000 0.747 427 L CB -0.039 42.029 42.059 0.015 0.000 0.903 427 L HN 0.566 nan 8.230 nan 0.000 0.435 428 A N -2.335 120.439 122.820 -0.077 0.000 2.581 428 A HA 0.882 5.202 4.320 -0.000 0.000 0.290 428 A C -1.446 176.115 177.584 -0.039 0.000 1.119 428 A CA -0.139 51.803 52.037 -0.159 0.000 0.670 428 A CB 0.547 19.488 19.000 -0.099 0.000 1.280 428 A HN 0.571 nan 8.150 nan 0.000 0.425 429 A N -1.335 121.441 122.820 -0.073 0.000 2.540 429 A HA 1.037 5.357 4.320 -0.000 0.000 0.291 429 A C -0.685 177.006 177.584 0.178 0.000 1.083 429 A CA 0.110 52.209 52.037 0.103 0.000 0.650 429 A CB 0.426 19.426 19.000 -0.001 0.000 1.292 429 A HN 2.709 nan 8.150 nan 0.000 0.435 430 A N -0.602 122.419 122.820 0.334 0.000 2.587 430 A HA 0.791 5.111 4.320 -0.000 0.000 0.293 430 A C -1.588 176.200 177.584 0.340 0.000 1.087 430 A CA -0.445 51.838 52.037 0.410 0.000 0.692 430 A CB 1.554 21.028 19.000 0.790 0.000 1.291 430 A HN 1.814 nan 8.150 nan 0.000 0.407 431 V N 0.956 121.021 119.914 0.251 0.000 2.569 431 V HA 0.532 4.652 4.120 -0.000 0.000 0.301 431 V C -1.613 174.560 176.094 0.132 0.000 1.044 431 V CA -0.222 62.207 62.300 0.215 0.000 0.874 431 V CB 1.381 33.266 31.823 0.104 0.000 1.002 431 V HN 0.704 nan 8.190 nan 0.000 0.424 432 F N 2.834 122.891 119.950 0.178 0.000 2.375 432 F HA 0.771 5.298 4.527 -0.000 0.000 0.361 432 F C 0.379 176.279 175.800 0.168 0.000 1.117 432 F CA -0.167 57.948 58.000 0.193 0.000 1.037 432 F CB 2.007 41.128 39.000 0.201 0.000 1.192 432 F HN 0.516 nan 8.300 nan 0.000 0.452 433 T N 2.050 116.736 114.554 0.220 0.000 2.830 433 T HA 0.284 4.634 4.350 -0.000 0.000 0.322 433 T C 0.198 174.971 174.700 0.122 0.000 1.501 433 T CA -0.641 61.563 62.100 0.172 0.000 1.036 433 T CB 1.561 70.510 68.868 0.136 0.000 1.379 433 T HN 0.632 nan 8.240 nan 0.000 0.493 434 K N 0.556 121.019 120.400 0.104 0.000 2.354 434 K HA 0.176 4.496 4.320 -0.000 0.000 0.194 434 K C -0.177 176.454 176.600 0.053 0.000 1.038 434 K CA -0.042 56.289 56.287 0.073 0.000 1.052 434 K CB 0.269 32.811 32.500 0.070 0.000 0.861 434 K HN 0.509 nan 8.250 nan 0.000 0.535 435 D N 0.949 121.382 120.400 0.056 0.000 2.312 435 D HA 0.004 4.644 4.640 -0.000 0.000 0.252 435 D C 0.893 177.216 176.300 0.040 0.000 1.150 435 D CA -0.248 53.777 54.000 0.042 0.000 0.870 435 D CB 1.062 41.885 40.800 0.038 0.000 1.153 435 D HN -0.159 nan 8.370 nan 0.000 0.457 436 L N 4.136 125.378 121.223 0.032 0.000 1.989 436 L HA -0.129 4.211 4.340 -0.000 0.000 0.211 436 L C 1.265 178.159 176.870 0.040 0.000 1.071 436 L CA 1.950 56.809 54.840 0.031 0.000 0.749 436 L CB -0.476 41.597 42.059 0.024 0.000 0.890 436 L HN 0.505 nan 8.230 nan 0.000 0.431 437 D N -0.253 120.169 120.400 0.038 0.000 2.117 437 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 437 D C 2.197 178.541 176.300 0.073 0.000 0.987 437 D CA 1.394 55.423 54.000 0.050 0.000 0.829 437 D CB -0.103 40.714 40.800 0.028 0.000 0.961 437 D HN 0.392 nan 8.370 nan 0.000 0.460 438 K N 0.546 120.973 120.400 0.046 0.000 2.063 438 K HA -0.074 4.246 4.320 -0.000 0.000 0.208 438 K C 2.120 178.788 176.600 0.114 0.000 1.048 438 K CA 1.196 57.517 56.287 0.056 0.000 0.928 438 K CB -0.096 32.428 32.500 0.040 0.000 0.713 438 K HN 0.037 nan 8.250 nan 0.000 0.442 439 A N 1.913 124.782 122.820 0.083 0.000 1.877 439 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 439 A C 1.831 179.455 177.584 0.066 0.000 1.186 439 A CA 1.660 53.737 52.037 0.067 0.000 0.620 439 A CB -0.449 18.576 19.000 0.042 0.000 0.822 439 A HN 0.222 nan 8.150 nan 0.000 0.443 440 N N -1.632 117.111 118.700 0.072 0.000 2.188 440 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 440 N C 1.546 177.101 175.510 0.075 0.000 1.018 440 N CA 1.517 54.601 53.050 0.056 0.000 0.858 440 N CB -0.561 37.956 38.487 0.051 0.000 0.989 440 N HN 0.702 nan 8.380 nan 0.000 0.426 441 Y N 1.407 121.699 120.300 -0.013 0.000 2.145 441 Y HA -0.063 4.486 4.550 -0.000 0.000 0.286 441 Y C 2.124 178.004 175.900 -0.033 0.000 1.145 441 Y CA 1.382 59.471 58.100 -0.018 0.000 1.148 441 Y CB -0.284 38.170 38.460 -0.010 0.000 0.981 441 Y HN -0.055 nan 8.280 nan 0.000 0.507 442 L N -0.238 121.097 121.223 0.188 0.000 2.072 442 L HA -0.181 4.159 4.340 -0.000 0.000 0.205 442 L C 2.762 179.596 176.870 -0.059 0.000 1.079 442 L CA 1.441 56.315 54.840 0.056 0.000 0.752 442 L CB -0.804 41.319 42.059 0.107 0.000 0.906 442 L HN 0.360 nan 8.230 nan 0.000 0.436 443 S N -0.869 114.806 115.700 -0.041 0.000 2.419 443 S HA -0.283 4.187 4.470 -0.000 0.000 0.233 443 S C 1.886 176.415 174.600 -0.117 0.000 1.016 443 S CA 1.360 59.511 58.200 -0.081 0.000 0.974 443 S CB -0.324 62.840 63.200 -0.059 0.000 0.786 443 S HN 0.514 nan 8.310 nan 0.000 0.492 444 Q N 1.231 120.959 119.800 -0.120 0.000 2.062 444 Q HA 0.133 4.473 4.340 -0.000 0.000 0.196 444 Q C 2.268 178.162 176.000 -0.177 0.000 0.967 444 Q CA 1.058 56.781 55.803 -0.135 0.000 0.832 444 Q CB -0.525 28.136 28.738 -0.129 0.000 0.899 444 Q HN 0.669 nan 8.270 nan 0.000 0.442 445 A N 0.675 123.344 122.820 -0.252 0.000 2.015 445 A HA 0.058 4.378 4.320 -0.000 0.000 0.219 445 A C 0.903 178.364 177.584 -0.205 0.000 1.163 445 A CA 0.246 52.122 52.037 -0.268 0.000 0.646 445 A CB -0.374 18.370 19.000 -0.427 0.000 0.806 445 A HN 0.381 nan 8.150 nan 0.000 0.448 446 L N 0.989 122.093 121.223 -0.199 0.000 2.418 446 L HA 0.069 4.409 4.340 -0.000 0.000 0.274 446 L C 0.062 176.761 176.870 -0.285 0.000 1.135 446 L CA -0.166 54.550 54.840 -0.206 0.000 0.870 446 L CB 0.632 42.582 42.059 -0.182 0.000 1.154 446 L HN 0.378 nan 8.230 nan 0.000 0.462 447 Q N 3.945 123.583 119.800 -0.271 0.000 2.844 447 Q HA 0.485 4.825 4.340 -0.000 0.000 0.235 447 Q C -0.319 175.306 176.000 -0.625 0.000 1.336 447 Q CA -0.249 55.319 55.803 -0.392 0.000 1.026 447 Q CB 0.623 29.294 28.738 -0.112 0.000 1.513 447 Q HN 0.684 nan 8.270 nan 0.000 0.577 448 A N -0.196 122.048 122.820 -0.959 0.000 2.539 448 A HA 0.676 4.996 4.320 -0.000 0.000 0.296 448 A C 0.868 177.929 177.584 -0.872 0.000 1.073 448 A CA -0.454 51.136 52.037 -0.746 0.000 0.700 448 A CB 1.215 19.985 19.000 -0.383 0.000 1.296 448 A HN 0.532 nan 8.150 nan 0.000 0.405 449 G N -0.073 108.474 108.800 -0.422 0.000 2.443 449 G HA2 0.291 4.251 3.960 -0.000 0.000 0.219 449 G HA3 0.291 4.251 3.960 -0.000 0.000 0.219 449 G C 0.465 175.167 174.900 -0.330 0.000 1.131 449 G CA 1.637 46.623 45.100 -0.189 0.000 0.775 449 G HN 0.845 nan 8.290 nan 0.000 0.547 450 T N -0.184 114.089 114.554 -0.468 0.000 2.937 450 T HA 0.474 4.823 4.350 -0.000 0.000 0.297 450 T C -1.123 173.146 174.700 -0.718 0.000 0.991 450 T CA -0.401 61.320 62.100 -0.631 0.000 0.990 450 T CB 2.618 70.979 68.868 -0.844 0.000 0.991 450 T HN -0.116 nan 8.240 nan 0.000 0.440 451 V N 4.184 123.750 119.914 -0.580 0.000 2.350 451 V HA 0.408 4.528 4.120 -0.000 0.000 0.285 451 V C -0.588 175.295 176.094 -0.351 0.000 1.014 451 V CA -0.980 61.083 62.300 -0.396 0.000 0.831 451 V CB 0.952 32.633 31.823 -0.237 0.000 1.000 451 V HN 0.760 nan 8.190 nan 0.000 0.433 452 W N 3.759 124.966 121.300 -0.155 0.000 2.365 452 W HA 0.597 5.257 4.660 -0.000 0.000 0.316 452 W C -0.490 175.946 176.519 -0.139 0.000 1.164 452 W CA -0.648 56.600 57.345 -0.162 0.000 1.204 452 W CB 1.814 31.134 29.460 -0.233 0.000 1.213 452 W HN 0.255 nan 8.180 nan 0.000 0.539 453 V N 4.867 124.820 119.914 0.066 0.000 2.378 453 V HA 0.134 4.254 4.120 -0.000 0.000 0.288 453 V C 0.153 176.124 176.094 -0.206 0.000 1.016 453 V CA -0.945 61.308 62.300 -0.078 0.000 0.840 453 V CB 1.080 32.883 31.823 -0.032 0.000 0.994 453 V HN 0.670 nan 8.190 nan 0.000 0.431 454 N N 2.090 120.409 118.700 -0.636 0.000 2.747 454 N HA -0.172 4.568 4.740 -0.000 0.000 0.249 454 N C -0.288 175.071 175.510 -0.252 0.000 1.107 454 N CA 1.262 53.866 53.050 -0.743 0.000 0.707 454 N CB -1.139 37.289 38.487 -0.099 0.000 1.054 454 N HN 1.070 nan 8.380 nan 0.000 0.555 455 C N -4.230 114.866 119.300 -0.340 0.000 3.249 455 C HA 0.805 5.265 4.460 -0.000 0.000 0.350 455 C C -1.132 173.918 174.990 0.100 0.000 1.431 455 C CA -1.355 57.713 59.018 0.083 0.000 1.209 455 C CB 1.782 29.562 27.740 0.067 0.000 1.546 455 C HN 0.274 nan 8.230 nan 0.000 0.450 456 Y N -0.072 120.037 120.300 -0.318 0.000 2.565 456 Y HA 0.456 5.006 4.550 -0.000 0.000 0.330 456 Y C -0.437 174.844 175.900 -1.032 0.000 1.150 456 Y CA 0.381 58.048 58.100 -0.723 0.000 1.055 456 Y CB 1.336 39.701 38.460 -0.158 0.000 1.337 456 Y HN 1.027 nan 8.280 nan 0.000 0.457 457 D N 1.964 121.145 120.400 -2.031 0.000 2.772 457 D HA -0.136 4.504 4.640 -0.000 0.000 0.233 457 D C -0.928 174.792 176.300 -0.966 0.000 1.143 457 D CA 0.931 54.171 54.000 -1.266 0.000 0.700 457 D CB -1.067 39.595 40.800 -0.229 0.000 1.076 457 D HN 0.155 nan 8.370 nan 0.000 0.430 458 V N 1.420 120.677 119.914 -1.094 0.000 2.339 458 V HA 0.282 4.402 4.120 -0.000 0.000 0.261 458 V C 0.512 176.503 176.094 -0.171 0.000 1.058 458 V CA -0.173 61.910 62.300 -0.362 0.000 0.897 458 V CB -0.146 31.587 31.823 -0.150 0.000 1.052 458 V HN -0.001 nan 8.190 nan 0.000 0.480 459 F N 2.499 122.510 119.950 0.102 0.000 2.450 459 F HA 0.795 5.322 4.527 -0.000 0.000 0.332 459 F C 0.816 176.627 175.800 0.017 0.000 1.093 459 F CA -0.503 57.550 58.000 0.088 0.000 1.003 459 F CB 2.087 41.119 39.000 0.054 0.000 1.151 459 F HN 0.488 nan 8.300 nan 0.000 0.474 460 G N 0.325 109.209 108.800 0.141 0.000 2.662 460 G HA2 0.510 4.470 3.960 -0.000 0.000 0.302 460 G HA3 0.510 4.470 3.960 -0.000 0.000 0.302 460 G C 0.077 174.879 174.900 -0.164 0.000 1.389 460 G CA -0.476 44.619 45.100 -0.009 0.000 0.998 460 G HN 0.876 nan 8.290 nan 0.000 0.502 461 A N 1.200 123.843 122.820 -0.296 0.000 2.125 461 A HA -0.027 4.293 4.320 -0.000 0.000 0.219 461 A C 2.046 178.980 177.584 -1.083 0.000 1.156 461 A CA 1.640 53.318 52.037 -0.598 0.000 0.671 461 A CB -0.053 18.616 19.000 -0.552 0.000 0.794 461 A HN 0.571 nan 8.150 nan 0.000 0.459 462 Q N -0.204 119.141 119.800 -0.759 0.000 2.354 462 Q HA 0.167 4.507 4.340 -0.000 0.000 0.203 462 Q C 0.338 176.261 176.000 -0.128 0.000 0.933 462 Q CA 0.627 56.120 55.803 -0.516 0.000 0.901 462 Q CB 0.183 28.811 28.738 -0.185 0.000 1.007 462 Q HN 0.445 nan 8.270 nan 0.000 0.495 463 S N 2.439 118.076 115.700 -0.104 0.000 2.462 463 S HA 0.394 4.864 4.470 -0.000 0.000 0.294 463 S C -2.481 172.123 174.600 0.006 0.000 1.144 463 S CA -1.384 56.818 58.200 0.003 0.000 1.088 463 S CB 1.153 64.359 63.200 0.010 0.000 1.009 463 S HN 0.060 nan 8.310 nan 0.000 0.484 464 P HA 0.241 nan 4.420 nan 0.000 0.271 464 P C -1.022 176.299 177.300 0.035 0.000 1.218 464 P CA -0.217 62.879 63.100 -0.007 0.000 0.780 464 P CB 0.374 31.958 31.700 -0.193 0.000 0.901 465 F N 1.635 121.518 119.950 -0.111 0.000 2.547 465 F HA 0.695 5.222 4.527 -0.000 0.000 0.316 465 F C -0.304 175.496 175.800 -0.000 0.000 1.121 465 F CA 0.188 58.165 58.000 -0.039 0.000 0.911 465 F CB 2.162 41.181 39.000 0.032 0.000 1.179 465 F HN 0.643 nan 8.300 nan 0.000 0.443 466 G N 2.228 110.654 108.800 -0.622 0.000 2.368 466 G HA2 0.481 4.440 3.960 -0.000 0.000 0.293 466 G HA3 0.481 4.440 3.960 -0.000 0.000 0.293 466 G C -1.630 173.057 174.900 -0.355 0.000 1.467 466 G CA -0.226 44.651 45.100 -0.373 0.000 0.804 466 G HN 1.007 nan 8.290 nan 0.000 0.535 467 G N -1.413 107.292 108.800 -0.159 0.000 2.471 467 G HA2 0.620 4.580 3.960 -0.000 0.000 0.332 467 G HA3 0.620 4.580 3.960 -0.000 0.000 0.332 467 G C -1.346 173.611 174.900 0.095 0.000 1.176 467 G CA -0.561 44.520 45.100 -0.031 0.000 0.949 467 G HN 0.443 nan 8.290 nan 0.000 0.488 468 Y N 0.380 120.627 120.300 -0.088 0.000 2.432 468 Y HA 0.428 4.978 4.550 -0.000 0.000 0.322 468 Y C 1.415 177.300 175.900 -0.024 0.000 1.246 468 Y CA -0.476 57.586 58.100 -0.064 0.000 1.268 468 Y CB 1.438 39.857 38.460 -0.068 0.000 1.276 468 Y HN 0.863 nan 8.280 nan 0.000 0.499 469 K N -0.364 120.097 120.400 0.101 0.000 1.867 469 K HA -0.334 3.986 4.320 -0.000 0.000 0.140 469 K C 0.671 177.294 176.600 0.038 0.000 1.408 469 K CA 2.014 58.332 56.287 0.051 0.000 0.461 469 K CB -1.043 31.495 32.500 0.064 0.000 0.594 469 K HN 0.685 nan 8.250 nan 0.000 0.888 470 M N 0.975 120.594 119.600 0.031 0.000 2.568 470 M HA 0.033 4.513 4.480 -0.000 0.000 0.226 470 M C 0.935 177.324 176.300 0.148 0.000 1.148 470 M CA 0.434 55.756 55.300 0.037 0.000 1.007 470 M CB 0.262 32.829 32.600 -0.054 0.000 1.651 470 M HN 0.310 nan 8.290 nan 0.000 0.488 471 S N 0.497 116.311 115.700 0.191 0.000 2.603 471 S HA 0.289 4.759 4.470 -0.000 0.000 0.220 471 S C 0.849 175.524 174.600 0.125 0.000 0.967 471 S CA 0.502 58.835 58.200 0.222 0.000 0.920 471 S CB 0.100 63.412 63.200 0.186 0.000 0.773 471 S HN 0.769 nan 8.310 nan 0.000 0.529 472 G N 0.598 109.454 108.800 0.093 0.000 2.334 472 G HA2 0.257 4.217 3.960 -0.000 0.000 0.315 472 G HA3 0.257 4.217 3.960 -0.000 0.000 0.315 472 G C -1.134 173.779 174.900 0.021 0.000 1.284 472 G CA -0.412 44.729 45.100 0.068 0.000 0.985 472 G HN 0.755 nan 8.290 nan 0.000 0.504 473 S N -1.181 114.526 115.700 0.012 0.000 2.536 473 S HA 0.999 5.469 4.470 -0.000 0.000 0.271 473 S C 0.322 174.909 174.600 -0.022 0.000 1.134 473 S CA 0.575 58.759 58.200 -0.026 0.000 0.897 473 S CB 1.551 64.734 63.200 -0.028 0.000 1.094 473 S HN 3.080 nan 8.310 nan 0.000 0.473 474 G N 1.798 110.570 108.800 -0.047 0.000 2.756 474 G HA2 0.141 4.100 3.960 -0.000 0.000 0.678 474 G HA3 0.141 4.100 3.960 -0.000 0.000 0.678 474 G C -1.457 173.427 174.900 -0.027 0.000 1.349 474 G CA -1.034 44.047 45.100 -0.032 0.000 0.847 474 G HN 0.833 nan 8.290 nan 0.000 0.548 475 R N 0.272 120.773 120.500 0.000 0.000 2.744 475 R HA 0.606 4.946 4.340 -0.000 0.000 0.279 475 R C -0.259 176.086 176.300 0.075 0.000 0.977 475 R CA -0.717 55.385 56.100 0.005 0.000 0.906 475 R CB 1.938 32.200 30.300 -0.064 0.000 1.197 475 R HN 0.760 nan 8.270 nan 0.000 0.463 476 E N 1.849 122.102 120.200 0.088 0.000 2.263 476 E HA 0.607 4.957 4.350 -0.000 0.000 0.264 476 E C -0.307 176.291 176.600 -0.003 0.000 0.923 476 E CA -0.897 55.551 56.400 0.080 0.000 0.802 476 E CB 1.846 31.614 29.700 0.113 0.000 1.228 476 E HN 0.326 nan 8.360 nan 0.000 0.417 477 L N -0.079 121.159 121.223 0.026 0.000 0.585 477 L HA -0.256 4.084 4.340 -0.000 0.000 0.356 477 L C 0.596 177.569 176.870 0.170 0.000 0.963 477 L CA 0.714 55.562 54.840 0.014 0.000 1.223 477 L CB -1.307 40.560 42.059 -0.319 0.000 0.011 477 L HN 1.005 nan 8.230 nan 0.000 0.091 478 G N 0.212 109.069 108.800 0.096 0.000 2.752 478 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.234 478 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.234 478 G C 0.397 175.534 174.900 0.395 0.000 1.367 478 G CA 0.911 46.186 45.100 0.292 0.000 0.879 478 G HN 1.162 nan 8.290 nan 0.000 0.563 479 E N -1.016 119.360 120.200 0.294 0.000 2.150 479 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 479 E C 2.142 178.594 176.600 -0.247 0.000 0.985 479 E CA 1.644 57.924 56.400 -0.200 0.000 0.814 479 E CB -0.144 29.482 29.700 -0.123 0.000 0.752 479 E HN 0.633 nan 8.360 nan 0.000 0.466 480 Y N -0.193 120.102 120.300 -0.009 0.000 2.333 480 Y HA -0.054 4.496 4.550 -0.000 0.000 0.290 480 Y C 2.405 178.290 175.900 -0.024 0.000 1.144 480 Y CA 1.002 59.096 58.100 -0.010 0.000 1.228 480 Y CB -0.581 37.892 38.460 0.021 0.000 0.985 480 Y HN 0.148 nan 8.280 nan 0.000 0.542 481 G N -0.289 108.624 108.800 0.189 0.000 2.586 481 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.215 481 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.215 481 G C 1.373 176.290 174.900 0.028 0.000 1.128 481 G CA 0.647 45.839 45.100 0.153 0.000 0.774 481 G HN 0.413 nan 8.290 nan 0.000 0.543 482 L N -0.952 120.166 121.223 -0.176 0.000 2.463 482 L HA 0.117 4.457 4.340 -0.000 0.000 0.219 482 L C 2.834 179.555 176.870 -0.248 0.000 1.088 482 L CA 0.108 54.713 54.840 -0.392 0.000 0.849 482 L CB -0.223 41.169 42.059 -1.112 0.000 1.012 482 L HN 0.184 nan 8.230 nan 0.000 0.468 483 Q N 0.745 120.472 119.800 -0.122 0.000 2.045 483 Q HA -0.231 4.108 4.340 -0.000 0.000 0.206 483 Q C 2.330 178.303 176.000 -0.044 0.000 0.991 483 Q CA 2.010 57.809 55.803 -0.005 0.000 0.851 483 Q CB -0.297 28.466 28.738 0.042 0.000 0.911 483 Q HN 0.558 nan 8.270 nan 0.000 0.418 484 A N -0.516 122.249 122.820 -0.091 0.000 2.216 484 A HA -0.110 4.209 4.320 -0.000 0.000 0.214 484 A C 0.797 178.120 177.584 -0.435 0.000 1.160 484 A CA 0.790 52.676 52.037 -0.250 0.000 0.725 484 A CB -0.265 18.544 19.000 -0.319 0.000 0.784 484 A HN 0.416 nan 8.150 nan 0.000 0.472 485 Y N -0.415 119.841 120.300 -0.072 0.000 2.607 485 Y HA 0.216 4.766 4.550 -0.000 0.000 0.266 485 Y C 0.267 176.151 175.900 -0.027 0.000 1.178 485 Y CA 0.031 58.096 58.100 -0.059 0.000 1.226 485 Y CB 0.543 38.951 38.460 -0.088 0.000 1.144 485 Y HN 0.066 nan 8.280 nan 0.000 0.528 486 T N 0.151 114.733 114.554 0.047 0.000 2.841 486 T HA 0.366 4.716 4.350 -0.000 0.000 0.283 486 T C -1.026 173.671 174.700 -0.006 0.000 1.000 486 T CA -0.689 61.444 62.100 0.055 0.000 0.977 486 T CB 2.052 70.962 68.868 0.070 0.000 0.979 486 T HN -0.086 nan 8.240 nan 0.000 0.446 487 E N 2.144 122.357 120.200 0.022 0.000 2.165 487 E HA 0.518 4.868 4.350 -0.000 0.000 0.266 487 E C -1.043 175.562 176.600 0.008 0.000 0.889 487 E CA -0.591 55.813 56.400 0.006 0.000 0.756 487 E CB 1.000 30.722 29.700 0.037 0.000 1.131 487 E HN 0.341 nan 8.360 nan 0.000 0.411 488 V N 5.064 124.964 119.914 -0.024 0.000 2.465 488 V HA 0.351 4.471 4.120 -0.000 0.000 0.279 488 V C 0.125 176.225 176.094 0.011 0.000 1.045 488 V CA -0.476 61.825 62.300 0.001 0.000 0.938 488 V CB 1.190 32.994 31.823 -0.031 0.000 0.986 488 V HN 0.574 nan 8.190 nan 0.000 0.467 489 K N 2.888 123.305 120.400 0.027 0.000 2.376 489 K HA 0.525 4.845 4.320 -0.000 0.000 0.257 489 K C -0.723 175.832 176.600 -0.074 0.000 0.939 489 K CA -0.383 55.892 56.287 -0.021 0.000 0.809 489 K CB 1.718 34.212 32.500 -0.010 0.000 1.121 489 K HN 0.707 nan 8.250 nan 0.000 0.425 490 T N 2.873 117.354 114.554 -0.122 0.000 2.799 490 T HA 0.313 4.663 4.350 -0.000 0.000 0.286 490 T C -0.808 173.704 174.700 -0.313 0.000 0.973 490 T CA -0.500 61.479 62.100 -0.202 0.000 1.035 490 T CB 1.163 69.937 68.868 -0.156 0.000 0.932 490 T HN 0.300 nan 8.240 nan 0.000 0.469 491 V N 4.139 123.711 119.914 -0.570 0.000 2.376 491 V HA 0.403 4.522 4.120 -0.000 0.000 0.287 491 V C 0.064 175.765 176.094 -0.656 0.000 1.015 491 V CA -0.739 61.154 62.300 -0.679 0.000 0.834 491 V CB 1.675 32.840 31.823 -1.097 0.000 1.001 491 V HN 0.949 nan 8.190 nan 0.000 0.428 492 T N 4.783 119.124 114.554 -0.355 0.000 2.788 492 T HA 0.521 4.871 4.350 -0.000 0.000 0.296 492 T C -0.244 174.411 174.700 -0.076 0.000 1.009 492 T CA -0.310 61.652 62.100 -0.230 0.000 0.949 492 T CB 1.310 70.034 68.868 -0.240 0.000 0.946 492 T HN 0.328 nan 8.240 nan 0.000 0.453 493 V N 4.064 124.006 119.914 0.047 0.000 2.435 493 V HA 0.426 4.546 4.120 -0.000 0.000 0.290 493 V C 0.494 176.792 176.094 0.340 0.000 1.030 493 V CA -1.129 61.283 62.300 0.187 0.000 0.881 493 V CB 1.609 33.573 31.823 0.235 0.000 0.983 493 V HN 0.719 nan 8.190 nan 0.000 0.445 494 K N 3.993 124.577 120.400 0.307 0.000 2.379 494 K HA 0.456 4.776 4.320 -0.000 0.000 0.284 494 K C -0.524 176.132 176.600 0.093 0.000 1.044 494 K CA -0.240 56.183 56.287 0.227 0.000 0.974 494 K CB 0.996 33.601 32.500 0.176 0.000 0.962 494 K HN 0.684 nan 8.250 nan 0.000 0.474 495 V N 2.151 122.056 119.914 -0.014 0.000 2.864 495 V HA 0.401 4.521 4.120 -0.000 0.000 0.314 495 V C -2.133 173.918 176.094 -0.072 0.000 1.073 495 V CA -2.008 60.288 62.300 -0.007 0.000 0.956 495 V CB 1.381 33.221 31.823 0.028 0.000 1.023 495 V HN 0.674 nan 8.190 nan 0.000 0.435 496 P HA -0.112 nan 4.420 nan 0.000 0.215 496 P C 0.098 177.355 177.300 -0.072 0.000 1.157 496 P CA 1.438 64.506 63.100 -0.053 0.000 0.874 496 P CB 0.136 31.815 31.700 -0.035 0.000 0.790 497 Q N -1.243 118.516 119.800 -0.068 0.000 2.371 497 Q HA 0.148 4.488 4.340 -0.000 0.000 0.244 497 Q C -1.117 174.847 176.000 -0.059 0.000 0.882 497 Q CA -0.662 55.100 55.803 -0.069 0.000 0.866 497 Q CB 1.080 29.788 28.738 -0.051 0.000 1.399 497 Q HN -0.146 nan 8.270 nan 0.000 0.432 498 K N 3.767 124.129 120.400 -0.064 0.000 2.322 498 K HA 0.296 4.616 4.320 -0.000 0.000 0.283 498 K C -0.987 175.598 176.600 -0.024 0.000 1.042 498 K CA 0.116 56.383 56.287 -0.034 0.000 0.958 498 K CB 0.640 33.131 32.500 -0.015 0.000 0.984 498 K HN 0.627 nan 8.250 nan 0.000 0.473 499 N N 1.280 119.968 118.700 -0.021 0.000 2.262 499 N HA 0.113 4.853 4.740 -0.000 0.000 0.295 499 N C -0.728 174.775 175.510 -0.011 0.000 1.161 499 N CA -0.525 52.514 53.050 -0.018 0.000 0.767 499 N CB 1.987 40.458 38.487 -0.026 0.000 1.499 499 N HN 0.730 nan 8.380 nan 0.000 0.476 500 S N 0.000 115.696 115.700 -0.006 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 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 0.001 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517