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 1o04_1_B DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCSCAGS 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 0.000 177.591 177.584 0.012 0.000 1.274 7 A CA 0.000 52.061 52.037 0.041 0.000 0.836 7 A CB 0.000 19.020 19.000 0.033 0.000 0.831 8 V N 3.171 123.055 119.914 -0.050 0.000 2.378 8 V HA 0.515 4.635 4.120 -0.001 0.000 0.288 8 V C -2.120 173.863 176.094 -0.185 0.000 1.016 8 V CA -1.323 60.841 62.300 -0.227 0.000 0.840 8 V CB 1.197 32.929 31.823 -0.151 0.000 0.994 8 V HN 0.844 nan 8.190 nan 0.000 0.431 9 P HA 0.281 nan 4.420 nan 0.000 0.268 9 P C -0.084 177.225 177.300 0.015 0.000 1.205 9 P CA -0.033 62.996 63.100 -0.118 0.000 0.771 9 P CB 0.509 32.132 31.700 -0.128 0.000 0.858 10 A N 4.793 127.620 122.820 0.012 0.000 2.540 10 A HA 0.322 4.641 4.320 -0.001 0.000 0.239 10 A C -1.726 175.803 177.584 -0.091 0.000 1.061 10 A CA -0.686 51.343 52.037 -0.014 0.000 0.758 10 A CB -1.058 17.918 19.000 -0.041 0.000 0.991 10 A HN 0.450 nan 8.150 nan 0.000 0.502 11 P HA 0.131 nan 4.420 nan 0.000 0.276 11 P C -0.803 176.271 177.300 -0.377 0.000 1.244 11 P CA -0.692 62.047 63.100 -0.602 0.000 0.801 11 P CB 0.643 31.665 31.700 -1.131 0.000 1.006 12 N N 1.419 119.941 118.700 -0.297 0.000 2.420 12 N HA 0.037 4.777 4.740 -0.001 0.000 0.249 12 N C 0.706 175.897 175.510 -0.532 0.000 1.033 12 N CA 0.092 52.967 53.050 -0.291 0.000 0.944 12 N CB 0.433 38.849 38.487 -0.117 0.000 1.113 12 N HN 0.252 nan 8.380 nan 0.000 0.502 13 Q N 1.345 120.697 119.800 -0.748 0.000 2.482 13 Q HA 0.058 4.397 4.340 -0.001 0.000 0.209 13 Q C -0.281 175.309 176.000 -0.684 0.000 0.961 13 Q CA 0.707 55.718 55.803 -1.320 0.000 0.945 13 Q CB 0.437 28.515 28.738 -1.101 0.000 1.012 13 Q HN 0.483 nan 8.270 nan 0.000 0.515 14 Q N 0.856 120.429 119.800 -0.378 0.000 3.230 14 Q HA 0.249 4.589 4.340 -0.001 0.000 0.303 14 Q C -2.506 173.403 176.000 -0.150 0.000 0.884 14 Q CA -1.476 54.201 55.803 -0.210 0.000 0.859 14 Q CB 1.248 29.887 28.738 -0.164 0.000 1.432 14 Q HN 0.189 nan 8.270 nan 0.000 0.403 15 P HA 0.040 nan 4.420 nan 0.000 0.271 15 P C 0.023 177.260 177.300 -0.106 0.000 1.216 15 P CA -0.055 63.012 63.100 -0.056 0.000 0.776 15 P CB 1.266 32.912 31.700 -0.090 0.000 0.881 16 E N 1.600 121.709 120.200 -0.151 0.000 2.373 16 E HA 0.176 4.526 4.350 -0.001 0.000 0.267 16 E C -0.752 175.458 176.600 -0.650 0.000 1.032 16 E CA -0.557 55.598 56.400 -0.409 0.000 0.889 16 E CB 0.615 30.019 29.700 -0.495 0.000 0.984 16 E HN 0.141 nan 8.360 nan 0.000 0.425 17 V N 6.113 125.707 119.914 -0.534 0.000 2.407 17 V HA 0.123 4.242 4.120 -0.001 0.000 0.278 17 V C 0.099 175.891 176.094 -0.503 0.000 1.037 17 V CA -0.019 62.032 62.300 -0.415 0.000 0.900 17 V CB 0.832 32.526 31.823 -0.215 0.000 0.983 17 V HN 0.716 nan 8.190 nan 0.000 0.459 18 F N 1.559 121.527 119.950 0.029 0.000 2.694 18 F HA 0.261 4.788 4.527 -0.001 0.000 0.292 18 F C 0.914 176.601 175.800 -0.188 0.000 1.121 18 F CA -0.078 57.899 58.000 -0.038 0.000 1.352 18 F CB 0.460 39.486 39.000 0.044 0.000 1.107 18 F HN 0.379 nan 8.300 nan 0.000 0.597 19 C N 2.027 121.290 119.300 -0.061 0.000 2.364 19 C HA 0.411 4.870 4.460 -0.001 0.000 0.324 19 C C 0.255 175.039 174.990 -0.343 0.000 1.234 19 C CA -0.851 57.877 59.018 -0.484 0.000 1.417 19 C CB 0.512 27.964 27.740 -0.480 0.000 2.101 19 C HN 0.534 nan 8.230 nan 0.000 0.466 20 N N 1.360 119.831 118.700 -0.380 0.000 2.286 20 N HA 0.069 4.809 4.740 -0.001 0.000 0.245 20 N C -0.449 175.017 175.510 -0.073 0.000 1.363 20 N CA -0.240 52.702 53.050 -0.180 0.000 0.822 20 N CB 0.088 38.475 38.487 -0.166 0.000 1.345 20 N HN 0.783 nan 8.380 nan 0.000 0.494 21 Q N -0.069 119.743 119.800 0.021 0.000 2.962 21 Q HA 0.578 4.917 4.340 -0.001 0.000 0.282 21 Q C -0.561 175.783 176.000 0.572 0.000 1.058 21 Q CA -0.981 55.001 55.803 0.299 0.000 0.854 21 Q CB 1.941 30.895 28.738 0.360 0.000 1.441 21 Q HN 0.127 nan 8.270 nan 0.000 0.497 22 I N 1.158 122.029 120.570 0.501 0.000 2.428 22 I HA 0.161 4.331 4.170 -0.001 0.000 0.289 22 I C -0.814 175.543 176.117 0.400 0.000 1.019 22 I CA -0.090 61.449 61.300 0.397 0.000 1.351 22 I CB 0.507 38.651 38.000 0.241 0.000 1.412 22 I HN 0.368 nan 8.210 nan 0.000 0.513 23 F N 8.244 128.179 119.950 -0.024 0.000 2.332 23 F HA 0.632 5.158 4.527 -0.001 0.000 0.368 23 F C -0.665 174.993 175.800 -0.237 0.000 1.110 23 F CA -0.429 57.310 58.000 -0.436 0.000 1.087 23 F CB 0.402 38.958 39.000 -0.742 0.000 1.235 23 F HN 0.173 nan 8.300 nan 0.000 0.470 24 I N 5.565 125.843 120.570 -0.487 0.000 2.569 24 I HA 0.227 4.397 4.170 -0.001 0.000 0.290 24 I C -0.334 175.517 176.117 -0.445 0.000 1.088 24 I CA -1.026 60.024 61.300 -0.418 0.000 1.047 24 I CB 1.844 39.597 38.000 -0.411 0.000 1.237 24 I HN 0.498 nan 8.210 nan 0.000 0.421 25 N N 4.607 123.061 118.700 -0.410 0.000 2.721 25 N HA -0.220 4.520 4.740 -0.001 0.000 0.249 25 N C -0.056 175.195 175.510 -0.431 0.000 1.072 25 N CA 0.898 53.761 53.050 -0.311 0.000 0.710 25 N CB -0.946 37.449 38.487 -0.153 0.000 0.993 25 N HN 0.777 nan 8.380 nan 0.000 0.547 26 N N -1.358 116.836 118.700 -0.843 0.000 2.741 26 N HA -0.209 4.530 4.740 -0.001 0.000 0.250 26 N C -0.683 174.415 175.510 -0.687 0.000 1.115 26 N CA 1.675 54.220 53.050 -0.841 0.000 0.724 26 N CB -0.829 37.515 38.487 -0.238 0.000 1.090 26 N HN 0.725 nan 8.380 nan 0.000 0.558 27 E N -1.552 118.171 120.200 -0.795 0.000 2.369 27 E HA 0.459 4.809 4.350 -0.001 0.000 0.270 27 E C -0.672 175.597 176.600 -0.551 0.000 0.909 27 E CA -0.743 55.358 56.400 -0.498 0.000 0.775 27 E CB 1.136 30.648 29.700 -0.313 0.000 1.270 27 E HN 0.114 nan 8.360 nan 0.000 0.445 28 W N 1.493 122.719 121.300 -0.123 0.000 2.390 28 W HA 0.323 4.983 4.660 -0.001 0.000 0.312 28 W C 0.181 176.584 176.519 -0.193 0.000 1.123 28 W CA -0.314 57.033 57.345 0.003 0.000 1.202 28 W CB 0.924 30.428 29.460 0.074 0.000 1.251 28 W HN 0.266 nan 8.180 nan 0.000 0.511 29 H N 1.974 121.217 119.070 0.288 0.000 2.637 29 H HA 0.183 4.739 4.556 -0.001 0.000 0.363 29 H C -0.501 174.933 175.328 0.178 0.000 1.131 29 H CA -0.997 55.152 56.048 0.168 0.000 1.183 29 H CB 1.797 31.612 29.762 0.088 0.000 1.637 29 H HN 0.262 nan 8.280 nan 0.000 0.531 30 D N 0.995 121.535 120.400 0.233 0.000 2.368 30 D HA 0.175 4.814 4.640 -0.001 0.000 0.240 30 D C 0.534 176.942 176.300 0.179 0.000 1.169 30 D CA -0.202 53.905 54.000 0.179 0.000 0.906 30 D CB 0.971 41.845 40.800 0.123 0.000 1.187 30 D HN 0.594 nan 8.370 nan 0.000 0.435 31 A N 0.990 123.901 122.820 0.152 0.000 2.483 31 A HA 0.080 4.400 4.320 -0.001 0.000 0.238 31 A C 1.614 179.263 177.584 0.109 0.000 1.070 31 A CA -0.489 51.628 52.037 0.133 0.000 0.770 31 A CB 0.276 19.360 19.000 0.139 0.000 1.008 31 A HN 0.423 nan 8.150 nan 0.000 0.497 32 V N 2.409 122.377 119.914 0.089 0.000 2.324 32 V HA -0.293 3.827 4.120 -0.001 0.000 0.250 32 V C 2.790 178.927 176.094 0.070 0.000 1.060 32 V CA 2.891 65.235 62.300 0.073 0.000 1.042 32 V CB -0.994 30.863 31.823 0.056 0.000 0.650 32 V HN 1.157 nan 8.190 nan 0.000 0.450 33 S N -0.940 114.805 115.700 0.076 0.000 2.481 33 S HA -0.163 4.307 4.470 -0.001 0.000 0.231 33 S C 1.299 175.943 174.600 0.074 0.000 0.996 33 S CA 0.540 58.783 58.200 0.072 0.000 0.942 33 S CB -0.157 63.091 63.200 0.080 0.000 0.768 33 S HN 0.541 nan 8.310 nan 0.000 0.520 34 R N -0.057 120.493 120.500 0.084 0.000 3.994 34 R HA -0.101 4.239 4.340 -0.001 0.000 0.403 34 R C -0.577 175.775 176.300 0.087 0.000 1.126 34 R CA 1.152 57.300 56.100 0.081 0.000 1.143 34 R CB -2.474 27.864 30.300 0.064 0.000 1.695 34 R HN 0.604 nan 8.270 nan 0.000 0.555 35 K N 1.347 121.810 120.400 0.106 0.000 2.258 35 K HA 0.265 4.585 4.320 -0.001 0.000 0.264 35 K C 0.911 177.603 176.600 0.154 0.000 1.007 35 K CA 0.765 57.128 56.287 0.127 0.000 0.941 35 K CB 0.688 33.277 32.500 0.148 0.000 0.966 35 K HN 0.294 nan 8.250 nan 0.000 0.480 36 T N -1.072 113.576 114.554 0.157 0.000 2.896 36 T HA 0.664 5.014 4.350 -0.001 0.000 0.297 36 T C -0.785 174.058 174.700 0.239 0.000 1.108 36 T CA -1.034 61.150 62.100 0.140 0.000 1.004 36 T CB 0.766 69.644 68.868 0.016 0.000 1.159 36 T HN 0.479 nan 8.240 nan 0.000 0.499 37 F N -0.557 119.448 119.950 0.092 0.000 2.577 37 F HA 0.877 5.404 4.527 -0.000 0.000 0.318 37 F C -3.034 172.802 175.800 0.060 0.000 1.065 37 F CA -3.016 55.057 58.000 0.122 0.000 0.929 37 F CB 1.414 40.543 39.000 0.215 0.000 1.237 37 F HN 0.388 nan 8.300 nan 0.000 0.468 38 P HA 0.174 nan 4.420 nan 0.000 0.279 38 P C -0.828 176.511 177.300 0.064 0.000 1.239 38 P CA -0.108 63.005 63.100 0.021 0.000 0.789 38 P CB 1.843 33.587 31.700 0.073 0.000 0.933 39 T N 1.490 116.013 114.554 -0.052 0.000 2.855 39 T HA 0.451 4.801 4.350 -0.001 0.000 0.281 39 T C -0.681 174.014 174.700 -0.009 0.000 1.007 39 T CA -0.554 61.550 62.100 0.006 0.000 1.009 39 T CB 0.542 69.393 68.868 -0.028 0.000 0.983 39 T HN 0.070 nan 8.240 nan 0.000 0.455 40 V N 5.039 124.956 119.914 0.006 0.000 2.667 40 V HA 0.485 4.604 4.120 -0.001 0.000 0.308 40 V C 0.252 176.335 176.094 -0.018 0.000 1.048 40 V CA -1.170 61.131 62.300 0.001 0.000 0.928 40 V CB 1.895 33.738 31.823 0.034 0.000 1.004 40 V HN 0.886 nan 8.190 nan 0.000 0.444 41 N N 5.571 124.254 118.700 -0.027 0.000 2.401 41 N HA 0.229 4.969 4.740 -0.001 0.000 0.255 41 N C -1.484 173.987 175.510 -0.065 0.000 1.110 41 N CA -1.987 51.039 53.050 -0.040 0.000 0.949 41 N CB 1.647 40.117 38.487 -0.028 0.000 1.110 41 N HN 0.325 nan 8.380 nan 0.000 0.490 42 P HA -0.018 nan 4.420 nan 0.000 0.230 42 P C 0.627 177.745 177.300 -0.303 0.000 1.158 42 P CA 0.636 63.685 63.100 -0.085 0.000 0.769 42 P CB 0.430 32.092 31.700 -0.063 0.000 0.807 43 S N -0.570 114.999 115.700 -0.218 0.000 2.461 43 S HA -0.031 4.438 4.470 -0.001 0.000 0.228 43 S C 1.741 176.307 174.600 -0.056 0.000 1.005 43 S CA 1.733 59.847 58.200 -0.144 0.000 0.942 43 S CB -0.532 62.698 63.200 0.050 0.000 0.776 43 S HN 0.448 nan 8.310 nan 0.000 0.514 44 T N -3.492 110.987 114.554 -0.125 0.000 2.958 44 T HA 0.444 4.794 4.350 -0.001 0.000 0.256 44 T C 1.475 176.055 174.700 -0.199 0.000 0.983 44 T CA 0.770 62.801 62.100 -0.113 0.000 0.924 44 T CB 0.365 69.200 68.868 -0.056 0.000 1.136 44 T HN 0.431 nan 8.240 nan 0.000 0.506 45 G N 1.654 110.298 108.800 -0.260 0.000 2.162 45 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.260 45 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.260 45 G C -0.162 174.690 174.900 -0.080 0.000 0.976 45 G CA 0.251 45.223 45.100 -0.212 0.000 0.655 45 G HN 0.614 nan 8.290 nan 0.000 0.533 46 E N -0.089 120.070 120.200 -0.068 0.000 2.283 46 E HA 0.495 4.845 4.350 -0.001 0.000 0.271 46 E C 0.677 177.260 176.600 -0.029 0.000 1.031 46 E CA -0.728 55.647 56.400 -0.042 0.000 0.868 46 E CB 1.889 31.563 29.700 -0.043 0.000 1.094 46 E HN 0.120 nan 8.360 nan 0.000 0.401 47 V N 3.749 123.649 119.914 -0.022 0.000 2.585 47 V HA -0.020 4.100 4.120 -0.001 0.000 0.296 47 V C 1.704 177.774 176.094 -0.040 0.000 1.035 47 V CA 0.413 62.699 62.300 -0.024 0.000 1.084 47 V CB 0.245 32.057 31.823 -0.019 0.000 0.953 47 V HN 0.618 nan 8.190 nan 0.000 0.483 48 I N 3.710 124.251 120.570 -0.049 0.000 2.296 48 I HA 0.043 4.212 4.170 -0.001 0.000 0.242 48 I C 0.961 177.029 176.117 -0.080 0.000 1.087 48 I CA 1.319 62.581 61.300 -0.064 0.000 1.393 48 I CB 0.206 38.165 38.000 -0.067 0.000 1.093 48 I HN 0.877 nan 8.210 nan 0.000 0.421 49 C N -2.149 117.096 119.300 -0.093 0.000 3.259 49 C HA 0.435 4.894 4.460 -0.001 0.000 0.344 49 C C -1.161 173.744 174.990 -0.142 0.000 1.401 49 C CA -1.210 57.743 59.018 -0.109 0.000 1.219 49 C CB 1.232 28.898 27.740 -0.125 0.000 1.521 49 C HN 0.157 nan 8.230 nan 0.000 0.455 50 Q N 0.543 120.255 119.800 -0.146 0.000 2.260 50 Q HA 0.744 5.083 4.340 -0.001 0.000 0.242 50 Q C -0.615 175.213 176.000 -0.287 0.000 0.932 50 Q CA -0.186 55.498 55.803 -0.199 0.000 0.891 50 Q CB 1.826 30.496 28.738 -0.113 0.000 1.222 50 Q HN 0.741 nan 8.270 nan 0.000 0.453 51 V N 0.494 120.114 119.914 -0.489 0.000 2.760 51 V HA 0.481 4.600 4.120 -0.001 0.000 0.309 51 V C -0.461 175.419 176.094 -0.356 0.000 1.077 51 V CA -1.274 60.712 62.300 -0.525 0.000 0.910 51 V CB 1.904 33.179 31.823 -0.912 0.000 1.008 51 V HN 0.898 nan 8.190 nan 0.000 0.424 52 A N 2.564 125.345 122.820 -0.066 0.000 2.566 52 A HA 0.193 4.513 4.320 -0.001 0.000 0.245 52 A C 0.384 178.128 177.584 0.267 0.000 1.056 52 A CA 0.310 52.411 52.037 0.106 0.000 0.757 52 A CB -0.131 18.963 19.000 0.157 0.000 0.979 52 A HN 0.918 nan 8.150 nan 0.000 0.508 53 E N 2.891 123.288 120.200 0.329 0.000 1.998 53 E HA 0.371 4.720 4.350 -0.001 0.000 0.257 53 E C 0.686 177.436 176.600 0.249 0.000 1.038 53 E CA -0.260 56.393 56.400 0.421 0.000 0.869 53 E CB 0.110 30.078 29.700 0.447 0.000 1.135 53 E HN 0.818 nan 8.360 nan 0.000 0.430 54 G N 3.073 111.999 108.800 0.210 0.000 2.491 54 G HA2 0.074 4.034 3.960 -0.001 0.000 0.242 54 G HA3 0.074 4.034 3.960 -0.001 0.000 0.242 54 G C -0.334 174.640 174.900 0.123 0.000 1.266 54 G CA -0.208 44.980 45.100 0.147 0.000 0.844 54 G HN 0.550 nan 8.290 nan 0.000 0.571 55 D N -0.447 120.014 120.400 0.103 0.000 2.867 55 D HA 0.186 4.826 4.640 -0.001 0.000 0.308 55 D C 1.356 177.702 176.300 0.075 0.000 1.202 55 D CA -0.800 53.255 54.000 0.091 0.000 1.035 55 D CB 1.419 42.273 40.800 0.090 0.000 1.427 55 D HN 0.269 nan 8.370 nan 0.000 0.570 56 K N 0.288 120.728 120.400 0.067 0.000 2.059 56 K HA -0.191 4.128 4.320 -0.001 0.000 0.212 56 K C 1.522 178.162 176.600 0.066 0.000 1.050 56 K CA 1.846 58.173 56.287 0.067 0.000 0.927 56 K CB 0.034 32.563 32.500 0.049 0.000 0.714 56 K HN 0.328 nan 8.250 nan 0.000 0.447 57 E N 0.151 120.383 120.200 0.054 0.000 2.153 57 E HA -0.174 4.175 4.350 -0.001 0.000 0.194 57 E C 1.651 178.273 176.600 0.037 0.000 0.988 57 E CA 1.277 57.704 56.400 0.046 0.000 0.811 57 E CB -0.014 29.710 29.700 0.040 0.000 0.746 57 E HN 0.478 nan 8.360 nan 0.000 0.466 58 D N 0.495 120.918 120.400 0.040 0.000 2.149 58 D HA -0.099 4.541 4.640 -0.001 0.000 0.201 58 D C 2.145 178.449 176.300 0.006 0.000 0.972 58 D CA 0.703 54.714 54.000 0.018 0.000 0.835 58 D CB -0.000 40.827 40.800 0.045 0.000 0.966 58 D HN 0.042 nan 8.370 nan 0.000 0.476 59 V N 2.130 122.065 119.914 0.035 0.000 2.343 59 V HA -0.218 3.901 4.120 -0.001 0.000 0.247 59 V C 1.970 178.073 176.094 0.014 0.000 1.051 59 V CA 1.727 64.043 62.300 0.027 0.000 1.036 59 V CB -0.394 31.470 31.823 0.068 0.000 0.654 59 V HN 0.039 nan 8.190 nan 0.000 0.451 60 D N -0.012 120.433 120.400 0.076 0.000 2.117 60 D HA -0.157 4.482 4.640 -0.001 0.000 0.197 60 D C 2.248 178.562 176.300 0.023 0.000 0.987 60 D CA 1.215 55.286 54.000 0.118 0.000 0.829 60 D CB -0.196 40.684 40.800 0.132 0.000 0.961 60 D HN 0.439 nan 8.370 nan 0.000 0.460 61 K N 0.648 121.038 120.400 -0.017 0.000 2.057 61 K HA -0.063 4.256 4.320 -0.001 0.000 0.207 61 K C 2.152 178.692 176.600 -0.100 0.000 1.049 61 K CA 1.222 57.468 56.287 -0.067 0.000 0.931 61 K CB -0.084 32.346 32.500 -0.116 0.000 0.714 61 K HN 0.026 nan 8.250 nan 0.000 0.440 62 A N 0.959 123.717 122.820 -0.104 0.000 1.898 62 A HA -0.115 4.205 4.320 -0.001 0.000 0.216 62 A C 2.379 179.893 177.584 -0.117 0.000 1.181 62 A CA 1.372 53.340 52.037 -0.115 0.000 0.620 62 A CB -0.654 18.293 19.000 -0.089 0.000 0.819 62 A HN 0.070 nan 8.150 nan 0.000 0.442 63 V N 0.156 119.979 119.914 -0.151 0.000 2.343 63 V HA -0.282 3.838 4.120 -0.001 0.000 0.247 63 V C 2.441 178.467 176.094 -0.112 0.000 1.051 63 V CA 2.400 64.573 62.300 -0.211 0.000 1.036 63 V CB -0.682 30.829 31.823 -0.520 0.000 0.654 63 V HN 0.548 nan 8.190 nan 0.000 0.451 64 K N 0.144 120.505 120.400 -0.065 0.000 2.097 64 K HA -0.090 4.229 4.320 -0.001 0.000 0.206 64 K C 2.290 178.876 176.600 -0.024 0.000 1.049 64 K CA 1.378 57.653 56.287 -0.020 0.000 0.933 64 K CB -0.381 32.118 32.500 -0.002 0.000 0.717 64 K HN 0.483 nan 8.250 nan 0.000 0.442 65 A N 1.455 124.244 122.820 -0.053 0.000 1.898 65 A HA -0.091 4.229 4.320 -0.001 0.000 0.216 65 A C 2.365 179.928 177.584 -0.035 0.000 1.181 65 A CA 1.740 53.743 52.037 -0.056 0.000 0.620 65 A CB -0.667 18.272 19.000 -0.103 0.000 0.819 65 A HN 0.317 nan 8.150 nan 0.000 0.442 66 A N -0.089 122.704 122.820 -0.046 0.000 1.877 66 A HA -0.164 4.156 4.320 -0.001 0.000 0.216 66 A C 2.188 179.806 177.584 0.056 0.000 1.186 66 A CA 2.184 54.209 52.037 -0.020 0.000 0.620 66 A CB -0.454 18.510 19.000 -0.060 0.000 0.822 66 A HN 0.461 nan 8.150 nan 0.000 0.443 67 R N 0.265 120.790 120.500 0.042 0.000 2.081 67 R HA -0.024 4.316 4.340 -0.001 0.000 0.235 67 R C 2.115 178.502 176.300 0.146 0.000 1.131 67 R CA 1.989 58.154 56.100 0.108 0.000 0.960 67 R CB -0.942 29.397 30.300 0.065 0.000 0.856 67 R HN 0.387 nan 8.270 nan 0.000 0.436 68 A N 0.265 123.137 122.820 0.087 0.000 1.902 68 A HA -0.025 4.294 4.320 -0.001 0.000 0.217 68 A C 2.345 179.993 177.584 0.107 0.000 1.181 68 A CA 1.743 53.828 52.037 0.080 0.000 0.623 68 A CB -1.046 17.978 19.000 0.041 0.000 0.818 68 A HN 0.483 nan 8.150 nan 0.000 0.443 69 A N -2.132 120.757 122.820 0.114 0.000 2.067 69 A HA 0.028 4.348 4.320 -0.001 0.000 0.219 69 A C 1.753 179.502 177.584 0.275 0.000 1.158 69 A CA 1.305 53.430 52.037 0.146 0.000 0.661 69 A CB -0.553 18.487 19.000 0.067 0.000 0.801 69 A HN 0.589 nan 8.150 nan 0.000 0.452 70 F N 0.228 120.257 119.950 0.131 0.000 2.765 70 F HA 0.194 4.721 4.527 -0.001 0.000 0.302 70 F C 0.701 176.573 175.800 0.120 0.000 1.111 70 F CA -0.215 57.886 58.000 0.168 0.000 1.359 70 F CB 0.137 39.220 39.000 0.138 0.000 1.097 70 F HN 0.092 nan 8.300 nan 0.000 0.577 71 Q N 1.607 121.448 119.800 0.068 0.000 2.330 71 Q HA 0.027 4.367 4.340 -0.001 0.000 0.279 71 Q C -0.166 175.775 176.000 -0.097 0.000 1.024 71 Q CA -0.117 55.684 55.803 -0.003 0.000 0.900 71 Q CB 0.699 29.460 28.738 0.038 0.000 1.221 71 Q HN 0.231 nan 8.270 nan 0.000 0.396 72 L N 1.686 122.841 121.223 -0.114 0.000 2.578 72 L HA 0.066 4.406 4.340 -0.001 0.000 0.279 72 L C 1.313 178.147 176.870 -0.060 0.000 1.227 72 L CA 2.269 57.042 54.840 -0.112 0.000 0.900 72 L CB 0.051 42.067 42.059 -0.071 0.000 1.144 72 L HN 0.933 nan 8.230 nan 0.000 0.496 73 G N 1.911 110.677 108.800 -0.058 0.000 2.176 73 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.253 73 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.253 73 G C 0.372 175.267 174.900 -0.008 0.000 0.979 73 G CA 0.423 45.506 45.100 -0.028 0.000 0.641 73 G HN 1.122 nan 8.290 nan 0.000 0.530 74 S N 0.444 116.144 115.700 -0.001 0.000 2.600 74 S HA 0.566 5.036 4.470 -0.001 0.000 0.265 74 S C -0.587 174.055 174.600 0.069 0.000 1.325 74 S CA -0.269 57.958 58.200 0.045 0.000 1.002 74 S CB 1.836 65.084 63.200 0.080 0.000 0.921 74 S HN 0.006 nan 8.310 nan 0.000 0.554 75 P HA -0.096 nan 4.420 nan 0.000 0.215 75 P C 1.266 178.692 177.300 0.211 0.000 1.153 75 P CA 1.179 64.352 63.100 0.122 0.000 0.853 75 P CB -0.111 31.664 31.700 0.125 0.000 0.788 76 W N 0.256 121.579 121.300 0.038 0.000 2.388 76 W HA -0.119 4.541 4.660 -0.001 0.000 0.294 76 W C 1.674 178.215 176.519 0.037 0.000 1.212 76 W CA 0.588 57.975 57.345 0.069 0.000 1.271 76 W CB -0.083 29.448 29.460 0.118 0.000 1.126 76 W HN -0.161 nan 8.180 nan 0.000 0.535 77 R N 0.447 120.960 120.500 0.022 0.000 2.115 77 R HA -0.059 4.281 4.340 -0.001 0.000 0.226 77 R C 2.018 178.230 176.300 -0.147 0.000 1.100 77 R CA 0.996 56.994 56.100 -0.169 0.000 0.980 77 R CB -0.668 29.512 30.300 -0.200 0.000 0.875 77 R HN 0.309 nan 8.270 nan 0.000 0.445 78 R N -0.216 120.239 120.500 -0.075 0.000 2.275 78 R HA 0.164 4.504 4.340 -0.001 0.000 0.199 78 R C 1.047 177.302 176.300 -0.075 0.000 0.989 78 R CA -0.193 55.868 56.100 -0.065 0.000 1.016 78 R CB 0.015 30.295 30.300 -0.035 0.000 0.918 78 R HN 0.104 nan 8.270 nan 0.000 0.473 79 M N 2.141 121.689 119.600 -0.087 0.000 2.248 79 M HA -0.039 4.441 4.480 -0.001 0.000 0.345 79 M C -0.683 175.560 176.300 -0.095 0.000 1.243 79 M CA 0.283 55.537 55.300 -0.078 0.000 1.090 79 M CB 0.562 33.130 32.600 -0.053 0.000 1.683 79 M HN -0.062 nan 8.290 nan 0.000 0.450 80 D N 3.921 124.292 120.400 -0.048 0.000 2.472 80 D HA 0.042 4.682 4.640 -0.001 0.000 0.237 80 D C 0.823 177.110 176.300 -0.021 0.000 1.141 80 D CA 0.535 54.521 54.000 -0.023 0.000 0.875 80 D CB 0.947 41.752 40.800 0.008 0.000 1.192 80 D HN 0.775 nan 8.370 nan 0.000 0.450 81 A N 2.421 125.223 122.820 -0.031 0.000 1.908 81 A HA -0.224 4.095 4.320 -0.001 0.000 0.218 81 A C 2.145 179.734 177.584 0.009 0.000 1.181 81 A CA 2.218 54.239 52.037 -0.028 0.000 0.627 81 A CB -0.654 18.347 19.000 0.002 0.000 0.818 81 A HN 0.610 nan 8.150 nan 0.000 0.445 82 S N -1.064 114.652 115.700 0.028 0.000 2.400 82 S HA -0.276 4.193 4.470 -0.001 0.000 0.232 82 S C 1.847 176.473 174.600 0.043 0.000 1.025 82 S CA 1.723 59.943 58.200 0.033 0.000 0.993 82 S CB -0.729 62.492 63.200 0.036 0.000 0.808 82 S HN 0.745 nan 8.310 nan 0.000 0.478 83 H N 1.623 120.676 119.070 -0.029 0.000 2.428 83 H HA 0.215 4.771 4.556 -0.001 0.000 0.296 83 H C 2.330 177.645 175.328 -0.022 0.000 1.062 83 H CA 1.401 57.432 56.048 -0.028 0.000 1.350 83 H CB -0.061 29.681 29.762 -0.033 0.000 1.403 83 H HN 0.354 nan 8.280 nan 0.000 0.533 84 R N -0.646 119.854 120.500 -0.000 0.000 2.105 84 R HA -0.113 4.227 4.340 -0.001 0.000 0.239 84 R C 2.518 178.844 176.300 0.044 0.000 1.135 84 R CA 1.146 57.263 56.100 0.028 0.000 0.967 84 R CB -0.593 29.691 30.300 -0.027 0.000 0.861 84 R HN 0.427 nan 8.270 nan 0.000 0.442 85 G N 1.256 110.065 108.800 0.016 0.000 2.418 85 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.217 85 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.217 85 G C 1.415 176.296 174.900 -0.032 0.000 1.158 85 G CA 0.231 45.345 45.100 0.024 0.000 0.771 85 G HN 0.136 nan 8.290 nan 0.000 0.545 86 R N 0.238 120.659 120.500 -0.131 0.000 2.105 86 R HA 0.041 4.380 4.340 -0.001 0.000 0.239 86 R C 2.603 178.773 176.300 -0.217 0.000 1.135 86 R CA 0.627 56.611 56.100 -0.195 0.000 0.967 86 R CB -1.056 29.045 30.300 -0.331 0.000 0.861 86 R HN 0.409 nan 8.270 nan 0.000 0.442 87 L N 0.319 121.357 121.223 -0.310 0.000 2.056 87 L HA -0.116 4.224 4.340 -0.001 0.000 0.207 87 L C 2.485 179.342 176.870 -0.021 0.000 1.078 87 L CA 0.904 55.521 54.840 -0.371 0.000 0.749 87 L CB -0.441 41.099 42.059 -0.866 0.000 0.901 87 L HN 0.096 nan 8.230 nan 0.000 0.433 88 L N -0.338 120.983 121.223 0.163 0.000 2.046 88 L HA -0.210 4.129 4.340 -0.001 0.000 0.208 88 L C 2.383 179.353 176.870 0.167 0.000 1.077 88 L CA 1.022 56.032 54.840 0.282 0.000 0.747 88 L CB -0.555 41.664 42.059 0.267 0.000 0.896 88 L HN 0.347 nan 8.230 nan 0.000 0.432 89 N N -0.097 118.655 118.700 0.087 0.000 2.166 89 N HA -0.197 4.542 4.740 -0.001 0.000 0.186 89 N C 1.957 177.502 175.510 0.059 0.000 1.019 89 N CA 0.965 54.052 53.050 0.062 0.000 0.856 89 N CB -0.191 38.310 38.487 0.024 0.000 0.993 89 N HN 0.165 nan 8.380 nan 0.000 0.426 90 R N 1.255 121.778 120.500 0.038 0.000 2.075 90 R HA -0.005 4.335 4.340 -0.001 0.000 0.232 90 R C 2.050 178.407 176.300 0.094 0.000 1.126 90 R CA 0.755 56.880 56.100 0.042 0.000 0.963 90 R CB -0.964 29.334 30.300 -0.004 0.000 0.858 90 R HN 0.169 nan 8.270 nan 0.000 0.435 91 L N 0.354 121.672 121.223 0.158 0.000 2.012 91 L HA -0.020 4.319 4.340 -0.001 0.000 0.210 91 L C 2.118 179.068 176.870 0.132 0.000 1.073 91 L CA 2.348 57.298 54.840 0.183 0.000 0.748 91 L CB -1.118 41.103 42.059 0.271 0.000 0.891 91 L HN 0.265 nan 8.230 nan 0.000 0.431 92 A N -0.798 122.098 122.820 0.126 0.000 1.908 92 A HA -0.248 4.072 4.320 -0.001 0.000 0.218 92 A C 2.009 179.648 177.584 0.092 0.000 1.181 92 A CA 1.985 54.086 52.037 0.106 0.000 0.627 92 A CB -0.940 18.122 19.000 0.102 0.000 0.818 92 A HN 0.561 nan 8.150 nan 0.000 0.445 93 D N -0.042 120.408 120.400 0.083 0.000 2.144 93 D HA -0.108 4.532 4.640 -0.001 0.000 0.199 93 D C 1.912 178.263 176.300 0.085 0.000 0.984 93 D CA 1.010 55.054 54.000 0.074 0.000 0.834 93 D CB -0.293 40.543 40.800 0.060 0.000 0.955 93 D HN 0.489 nan 8.370 nan 0.000 0.465 94 L N 0.169 121.448 121.223 0.093 0.000 2.072 94 L HA -0.065 4.275 4.340 -0.001 0.000 0.205 94 L C 2.487 179.439 176.870 0.137 0.000 1.079 94 L CA 0.559 55.461 54.840 0.104 0.000 0.752 94 L CB -0.226 41.888 42.059 0.092 0.000 0.906 94 L HN -0.006 nan 8.230 nan 0.000 0.436 95 I N -0.083 120.568 120.570 0.135 0.000 2.226 95 I HA -0.297 3.873 4.170 -0.001 0.000 0.245 95 I C 2.610 178.810 176.117 0.138 0.000 1.100 95 I CA 1.336 62.730 61.300 0.157 0.000 1.374 95 I CB -0.167 37.911 38.000 0.129 0.000 1.057 95 I HN 0.326 nan 8.210 nan 0.000 0.413 96 E N 1.129 121.392 120.200 0.105 0.000 2.077 96 E HA -0.280 4.070 4.350 -0.001 0.000 0.193 96 E C 2.391 179.060 176.600 0.115 0.000 0.989 96 E CA 1.073 57.526 56.400 0.088 0.000 0.800 96 E CB -0.040 29.702 29.700 0.069 0.000 0.746 96 E HN 0.255 nan 8.360 nan 0.000 0.452 97 R N 0.327 120.898 120.500 0.119 0.000 2.091 97 R HA -0.148 4.192 4.340 -0.001 0.000 0.238 97 R C 0.452 176.847 176.300 0.158 0.000 1.136 97 R CA 1.841 58.015 56.100 0.123 0.000 0.959 97 R CB -0.014 30.350 30.300 0.107 0.000 0.856 97 R HN 0.123 nan 8.270 nan 0.000 0.437 98 D N -0.200 120.319 120.400 0.198 0.000 2.395 98 D HA 0.022 4.661 4.640 -0.001 0.000 0.226 98 D C 1.131 177.595 176.300 0.273 0.000 1.146 98 D CA -0.002 54.151 54.000 0.256 0.000 0.830 98 D CB 0.182 41.198 40.800 0.360 0.000 0.958 98 D HN 0.245 nan 8.370 nan 0.000 0.501 99 R N 0.562 121.198 120.500 0.227 0.000 2.091 99 R HA -0.148 4.191 4.340 -0.001 0.000 0.238 99 R C 1.899 178.389 176.300 0.316 0.000 1.136 99 R CA 1.978 58.199 56.100 0.201 0.000 0.959 99 R CB -0.114 30.255 30.300 0.115 0.000 0.856 99 R HN 0.216 nan 8.270 nan 0.000 0.437 100 T N -1.996 112.801 114.554 0.406 0.000 2.867 100 T HA -0.192 4.158 4.350 -0.001 0.000 0.268 100 T C 1.808 176.737 174.700 0.381 0.000 1.057 100 T CA 1.132 63.512 62.100 0.467 0.000 1.136 100 T CB -0.584 68.500 68.868 0.359 0.000 0.874 100 T HN 0.432 nan 8.240 nan 0.000 0.466 101 Y N 1.945 122.351 120.300 0.177 0.000 2.163 101 Y HA 0.121 4.671 4.550 -0.001 0.000 0.288 101 Y C 2.096 178.034 175.900 0.063 0.000 1.136 101 Y CA 0.980 59.126 58.100 0.077 0.000 1.147 101 Y CB -0.515 37.933 38.460 -0.019 0.000 0.987 101 Y HN 0.146 nan 8.280 nan 0.000 0.509 102 L N -0.228 120.995 121.223 0.000 0.000 2.093 102 L HA -0.189 4.150 4.340 -0.001 0.000 0.208 102 L C 2.755 179.613 176.870 -0.021 0.000 1.085 102 L CA 1.090 55.883 54.840 -0.077 0.000 0.755 102 L CB -0.853 41.273 42.059 0.111 0.000 0.904 102 L HN 0.381 nan 8.230 nan 0.000 0.435 103 A N -0.103 122.786 122.820 0.116 0.000 1.902 103 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 103 A C 2.499 180.247 177.584 0.273 0.000 1.181 103 A CA 1.702 53.841 52.037 0.169 0.000 0.623 103 A CB -0.664 18.463 19.000 0.212 0.000 0.818 103 A HN 0.399 nan 8.150 nan 0.000 0.443 104 A N -0.725 122.313 122.820 0.362 0.000 1.930 104 A HA 0.027 4.346 4.320 -0.001 0.000 0.217 104 A C 2.106 179.769 177.584 0.132 0.000 1.175 104 A CA 1.615 53.872 52.037 0.367 0.000 0.627 104 A CB -0.559 18.565 19.000 0.207 0.000 0.815 104 A HN 0.612 nan 8.150 nan 0.000 0.443 105 L N -0.078 121.052 121.223 -0.154 0.000 2.083 105 L HA -0.116 4.223 4.340 -0.001 0.000 0.209 105 L C 2.212 179.023 176.870 -0.099 0.000 1.083 105 L CA 2.605 57.309 54.840 -0.226 0.000 0.752 105 L CB -0.578 41.166 42.059 -0.525 0.000 0.899 105 L HN 0.507 nan 8.230 nan 0.000 0.433 106 E N -1.060 119.099 120.200 -0.068 0.000 2.051 106 E HA -0.202 4.148 4.350 -0.001 0.000 0.192 106 E C 2.045 178.604 176.600 -0.068 0.000 0.991 106 E CA 2.071 58.443 56.400 -0.047 0.000 0.799 106 E CB -0.346 29.339 29.700 -0.026 0.000 0.748 106 E HN 0.476 nan 8.360 nan 0.000 0.449 107 T N 0.699 115.205 114.554 -0.080 0.000 2.746 107 T HA -0.159 4.190 4.350 -0.001 0.000 0.267 107 T C 1.717 176.310 174.700 -0.178 0.000 1.039 107 T CA 1.229 63.201 62.100 -0.214 0.000 1.142 107 T CB -0.374 68.222 68.868 -0.454 0.000 0.866 107 T HN 0.102 nan 8.240 nan 0.000 0.444 108 L N 1.201 122.405 121.223 -0.032 0.000 2.012 108 L HA -0.095 4.245 4.340 -0.001 0.000 0.210 108 L C 2.076 178.930 176.870 -0.026 0.000 1.073 108 L CA 1.891 56.759 54.840 0.048 0.000 0.748 108 L CB -0.421 41.693 42.059 0.092 0.000 0.891 108 L HN 0.106 nan 8.230 nan 0.000 0.431 109 D N -1.741 118.632 120.400 -0.045 0.000 2.213 109 D HA -0.137 4.503 4.640 -0.001 0.000 0.205 109 D C 1.880 178.145 176.300 -0.059 0.000 0.961 109 D CA 0.743 54.715 54.000 -0.046 0.000 0.853 109 D CB 0.037 40.815 40.800 -0.037 0.000 0.967 109 D HN 0.410 nan 8.370 nan 0.000 0.496 110 N N -0.776 117.880 118.700 -0.073 0.000 2.454 110 N HA 0.001 4.741 4.740 -0.001 0.000 0.177 110 N C 1.373 176.807 175.510 -0.127 0.000 1.049 110 N CA 1.525 54.527 53.050 -0.080 0.000 0.887 110 N CB 0.923 39.373 38.487 -0.063 0.000 1.095 110 N HN 0.234 nan 8.380 nan 0.000 0.446 111 G N 1.496 110.205 108.800 -0.151 0.000 2.232 111 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.226 111 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.226 111 G C -0.060 174.727 174.900 -0.188 0.000 0.996 111 G CA 0.419 45.409 45.100 -0.183 0.000 0.626 111 G HN 0.687 nan 8.290 nan 0.000 0.509 112 K N 1.086 121.370 120.400 -0.192 0.000 2.319 112 K HA 0.477 4.797 4.320 -0.001 0.000 0.265 112 K C -2.678 173.823 176.600 -0.166 0.000 1.000 112 K CA -1.277 54.895 56.287 -0.193 0.000 0.943 112 K CB 0.491 32.849 32.500 -0.237 0.000 0.950 112 K HN 0.087 nan 8.250 nan 0.000 0.485 113 P HA -0.109 nan 4.420 nan 0.000 0.265 113 P C -0.334 176.936 177.300 -0.050 0.000 1.193 113 P CA -0.045 63.014 63.100 -0.068 0.000 0.765 113 P CB 0.153 31.854 31.700 0.002 0.000 0.823 114 Y N 4.334 124.517 120.300 -0.196 0.000 2.207 114 Y HA -0.239 4.310 4.550 -0.001 0.000 0.287 114 Y C 1.812 177.747 175.900 0.058 0.000 1.156 114 Y CA 1.727 59.770 58.100 -0.096 0.000 1.182 114 Y CB -0.798 37.633 38.460 -0.049 0.000 0.979 114 Y HN 0.073 nan 8.280 nan 0.000 0.521 115 V N 0.333 120.238 119.914 -0.016 0.000 2.343 115 V HA -0.317 3.802 4.120 -0.001 0.000 0.247 115 V C 2.322 178.412 176.094 -0.006 0.000 1.051 115 V CA 1.772 64.045 62.300 -0.045 0.000 1.036 115 V CB -0.586 31.274 31.823 0.063 0.000 0.654 115 V HN 0.432 nan 8.190 nan 0.000 0.451 116 I N -0.324 120.265 120.570 0.031 0.000 2.286 116 I HA -0.112 4.057 4.170 -0.001 0.000 0.245 116 I C 2.584 178.730 176.117 0.049 0.000 1.104 116 I CA 1.293 62.649 61.300 0.093 0.000 1.397 116 I CB -1.426 36.654 38.000 0.133 0.000 1.072 116 I HN 0.262 nan 8.210 nan 0.000 0.417 117 S N 0.398 116.086 115.700 -0.019 0.000 2.374 117 S HA -0.255 4.214 4.470 -0.001 0.000 0.227 117 S C 2.034 176.606 174.600 -0.048 0.000 1.037 117 S CA 1.608 59.792 58.200 -0.027 0.000 1.024 117 S CB -0.551 62.630 63.200 -0.031 0.000 0.861 117 S HN 0.470 nan 8.310 nan 0.000 0.456 118 Y N 1.474 121.620 120.300 -0.257 0.000 2.153 118 Y HA 0.053 4.603 4.550 -0.001 0.000 0.289 118 Y C 1.910 177.751 175.900 -0.098 0.000 1.127 118 Y CA 1.342 59.295 58.100 -0.244 0.000 1.131 118 Y CB -0.203 37.958 38.460 -0.498 0.000 0.995 118 Y HN 0.118 nan 8.280 nan 0.000 0.505 119 L N -1.410 119.828 121.223 0.025 0.000 2.270 119 L HA -0.062 4.278 4.340 -0.001 0.000 0.210 119 L C 1.669 178.539 176.870 -0.000 0.000 1.104 119 L CA 0.347 55.199 54.840 0.020 0.000 0.804 119 L CB -0.119 42.010 42.059 0.116 0.000 0.937 119 L HN 0.156 nan 8.230 nan 0.000 0.450 120 V N -1.061 118.878 119.914 0.042 0.000 2.784 120 V HA -0.043 4.076 4.120 -0.001 0.000 0.231 120 V C 1.626 177.757 176.094 0.062 0.000 1.128 120 V CA 0.914 63.269 62.300 0.092 0.000 1.178 120 V CB -0.238 31.722 31.823 0.228 0.000 0.943 120 V HN 0.175 nan 8.190 nan 0.000 0.500 121 D N 0.745 121.193 120.400 0.079 0.000 2.092 121 D HA -0.156 4.484 4.640 -0.001 0.000 0.193 121 D C 2.071 178.373 176.300 0.002 0.000 0.994 121 D CA 1.201 55.237 54.000 0.060 0.000 0.828 121 D CB -0.167 40.679 40.800 0.077 0.000 0.963 121 D HN 0.094 nan 8.370 nan 0.000 0.450 122 L N 0.591 121.786 121.223 -0.046 0.000 2.093 122 L HA -0.126 4.214 4.340 -0.001 0.000 0.208 122 L C 1.886 178.715 176.870 -0.069 0.000 1.085 122 L CA 1.507 56.305 54.840 -0.070 0.000 0.755 122 L CB -0.877 41.090 42.059 -0.153 0.000 0.904 122 L HN 0.077 nan 8.230 nan 0.000 0.435 123 D N -0.584 119.761 120.400 -0.092 0.000 2.117 123 D HA -0.217 4.423 4.640 -0.001 0.000 0.197 123 D C 2.235 178.539 176.300 0.007 0.000 0.987 123 D CA 1.174 55.142 54.000 -0.053 0.000 0.829 123 D CB 0.223 40.993 40.800 -0.050 0.000 0.961 123 D HN 0.021 nan 8.370 nan 0.000 0.460 124 M N -0.048 119.565 119.600 0.022 0.000 2.229 124 M HA -0.065 4.415 4.480 -0.001 0.000 0.264 124 M C 2.257 178.615 176.300 0.096 0.000 1.063 124 M CA 0.522 55.858 55.300 0.060 0.000 1.114 124 M CB -0.715 31.909 32.600 0.040 0.000 1.387 124 M HN 0.030 nan 8.290 nan 0.000 0.420 125 V N 0.861 120.815 119.914 0.067 0.000 2.261 125 V HA -0.264 3.855 4.120 -0.001 0.000 0.246 125 V C 2.550 178.710 176.094 0.110 0.000 1.047 125 V CA 1.537 63.893 62.300 0.092 0.000 1.015 125 V CB -0.691 31.167 31.823 0.058 0.000 0.642 125 V HN 0.384 nan 8.190 nan 0.000 0.446 126 L N -0.578 120.691 121.223 0.077 0.000 2.012 126 L HA -0.234 4.106 4.340 -0.001 0.000 0.210 126 L C 2.580 179.510 176.870 0.100 0.000 1.073 126 L CA 1.841 56.729 54.840 0.080 0.000 0.748 126 L CB -0.642 41.444 42.059 0.045 0.000 0.891 126 L HN 0.280 nan 8.230 nan 0.000 0.431 127 K N -0.964 119.492 120.400 0.093 0.000 2.097 127 K HA -0.182 4.137 4.320 -0.001 0.000 0.205 127 K C 2.294 178.983 176.600 0.148 0.000 1.050 127 K CA 1.451 57.798 56.287 0.100 0.000 0.938 127 K CB -0.375 32.167 32.500 0.070 0.000 0.718 127 K HN 0.397 nan 8.250 nan 0.000 0.442 128 C N 1.062 120.474 119.300 0.186 0.000 2.453 128 C HA -0.019 4.441 4.460 -0.001 0.000 0.277 128 C C 2.393 177.589 174.990 0.343 0.000 1.262 128 C CA 0.487 59.668 59.018 0.271 0.000 1.718 128 C CB -0.881 27.072 27.740 0.355 0.000 2.031 128 C HN 0.388 nan 8.230 nan 0.000 0.480 129 L N 0.404 121.788 121.223 0.268 0.000 2.046 129 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 129 L C 3.005 180.010 176.870 0.224 0.000 1.077 129 L CA 1.739 56.731 54.840 0.253 0.000 0.747 129 L CB -0.707 41.464 42.059 0.186 0.000 0.896 129 L HN 0.334 nan 8.230 nan 0.000 0.432 130 R N -1.364 119.240 120.500 0.173 0.000 2.115 130 R HA -0.179 4.161 4.340 -0.001 0.000 0.230 130 R C 2.272 178.635 176.300 0.106 0.000 1.111 130 R CA 1.310 57.482 56.100 0.121 0.000 0.976 130 R CB -0.409 29.946 30.300 0.092 0.000 0.870 130 R HN 0.266 nan 8.270 nan 0.000 0.445 131 Y N 0.245 120.544 120.300 -0.001 0.000 2.114 131 Y HA -0.285 4.264 4.550 -0.001 0.000 0.284 131 Y C 1.684 177.521 175.900 -0.105 0.000 1.143 131 Y CA 1.562 59.595 58.100 -0.111 0.000 1.135 131 Y CB -0.470 37.875 38.460 -0.191 0.000 0.980 131 Y HN 0.001 nan 8.280 nan 0.000 0.499 132 Y N -0.302 120.094 120.300 0.160 0.000 2.352 132 Y HA -0.148 4.401 4.550 -0.001 0.000 0.292 132 Y C 2.608 178.545 175.900 0.062 0.000 1.136 132 Y CA 0.746 58.916 58.100 0.116 0.000 1.227 132 Y CB -0.578 37.992 38.460 0.185 0.000 0.991 132 Y HN 0.282 nan 8.280 nan 0.000 0.545 133 A N 0.229 123.151 122.820 0.170 0.000 1.948 133 A HA -0.214 4.105 4.320 -0.001 0.000 0.220 133 A C 2.508 180.100 177.584 0.013 0.000 1.177 133 A CA 1.917 54.017 52.037 0.104 0.000 0.636 133 A CB -1.463 17.584 19.000 0.078 0.000 0.815 133 A HN 0.483 nan 8.150 nan 0.000 0.449 134 G N -2.528 106.203 108.800 -0.115 0.000 2.443 134 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.219 134 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.219 134 G C 1.296 176.025 174.900 -0.286 0.000 1.131 134 G CA 0.658 45.610 45.100 -0.246 0.000 0.775 134 G HN 0.690 nan 8.290 nan 0.000 0.547 135 W N 0.627 121.812 121.300 -0.192 0.000 2.800 135 W HA 0.316 4.975 4.660 -0.001 0.000 0.249 135 W C 2.679 179.174 176.519 -0.039 0.000 1.294 135 W CA 0.116 57.383 57.345 -0.130 0.000 1.402 135 W CB 0.359 29.751 29.460 -0.114 0.000 1.126 135 W HN 0.244 nan 8.180 nan 0.000 0.652 136 A N 0.957 123.898 122.820 0.202 0.000 1.948 136 A HA -0.252 4.068 4.320 -0.001 0.000 0.220 136 A C 1.308 178.965 177.584 0.122 0.000 1.177 136 A CA 2.224 54.353 52.037 0.153 0.000 0.636 136 A CB -0.677 18.382 19.000 0.099 0.000 0.815 136 A HN 0.344 nan 8.150 nan 0.000 0.449 137 D N -2.271 118.183 120.400 0.090 0.000 2.593 137 D HA 0.208 4.847 4.640 -0.001 0.000 0.241 137 D C 0.490 176.810 176.300 0.033 0.000 1.257 137 D CA -0.056 53.980 54.000 0.060 0.000 0.828 137 D CB 0.029 40.851 40.800 0.036 0.000 1.049 137 D HN 0.426 nan 8.370 nan 0.000 0.490 138 K N -0.660 119.781 120.400 0.068 0.000 2.477 138 K HA 0.062 4.382 4.320 -0.001 0.000 0.208 138 K C -0.481 176.039 176.600 -0.134 0.000 1.117 138 K CA -0.458 55.772 56.287 -0.096 0.000 1.039 138 K CB 0.839 33.321 32.500 -0.030 0.000 0.937 138 K HN -0.019 nan 8.250 nan 0.000 0.570 139 Y N 2.819 123.090 120.300 -0.048 0.000 2.724 139 Y HA 0.160 4.710 4.550 -0.001 0.000 0.332 139 Y C -0.527 175.352 175.900 -0.034 0.000 1.276 139 Y CA -1.195 56.890 58.100 -0.025 0.000 1.597 139 Y CB -0.853 37.607 38.460 0.001 0.000 1.584 139 Y HN 0.068 nan 8.280 nan 0.000 0.478 140 H N 1.201 120.234 119.070 -0.063 0.000 2.790 140 H HA 0.357 4.912 4.556 -0.001 0.000 0.358 140 H C 0.979 175.920 175.328 -0.645 0.000 1.103 140 H CA 0.374 56.293 56.048 -0.216 0.000 1.426 140 H CB 0.838 30.531 29.762 -0.115 0.000 1.424 140 H HN 0.741 nan 8.280 nan 0.000 0.599 141 G N 1.222 109.672 108.800 -0.583 0.000 2.508 141 G HA2 0.343 4.302 3.960 -0.001 0.000 0.278 141 G HA3 0.343 4.302 3.960 -0.001 0.000 0.278 141 G C -0.631 174.103 174.900 -0.276 0.000 1.389 141 G CA -0.760 43.871 45.100 -0.782 0.000 1.050 141 G HN 0.533 nan 8.290 nan 0.000 0.522 142 K N -0.647 119.671 120.400 -0.135 0.000 2.328 142 K HA 0.518 4.838 4.320 -0.001 0.000 0.246 142 K C -0.648 175.981 176.600 0.048 0.000 0.955 142 K CA -0.614 55.653 56.287 -0.034 0.000 0.817 142 K CB 2.105 34.597 32.500 -0.013 0.000 1.208 142 K HN 0.620 nan 8.250 nan 0.000 0.432 143 T N -0.751 113.847 114.554 0.073 0.000 2.824 143 T HA 0.635 4.984 4.350 -0.001 0.000 0.280 143 T C -0.016 174.758 174.700 0.124 0.000 0.995 143 T CA -0.739 61.458 62.100 0.163 0.000 1.009 143 T CB 0.356 69.367 68.868 0.238 0.000 0.955 143 T HN 0.387 nan 8.240 nan 0.000 0.452 144 I N 4.449 125.102 120.570 0.138 0.000 2.466 144 I HA 0.341 4.511 4.170 -0.001 0.000 0.289 144 I C -2.119 174.063 176.117 0.109 0.000 1.026 144 I CA -2.696 58.657 61.300 0.088 0.000 1.078 144 I CB 2.895 40.921 38.000 0.044 0.000 1.249 144 I HN 0.518 nan 8.210 nan 0.000 0.429 145 P HA 0.211 nan 4.420 nan 0.000 0.225 145 P C 0.014 177.363 177.300 0.082 0.000 1.813 145 P CA -0.014 63.140 63.100 0.091 0.000 1.013 145 P CB 0.179 31.918 31.700 0.064 0.000 1.961 146 I N 1.265 121.892 120.570 0.095 0.000 2.892 146 I HA -0.005 4.164 4.170 -0.001 0.000 0.287 146 I C 0.366 176.553 176.117 0.117 0.000 1.205 146 I CA 0.003 61.352 61.300 0.081 0.000 1.409 146 I CB 0.566 38.602 38.000 0.061 0.000 1.367 146 I HN 0.070 nan 8.210 nan 0.000 0.597 147 D N 4.886 125.344 120.400 0.097 0.000 2.400 147 D HA 0.389 5.029 4.640 -0.001 0.000 0.238 147 D C 0.405 176.845 176.300 0.233 0.000 1.157 147 D CA 1.266 55.338 54.000 0.120 0.000 0.889 147 D CB 0.631 41.481 40.800 0.083 0.000 1.199 147 D HN 0.938 nan 8.370 nan 0.000 0.436 148 G N 1.591 110.509 108.800 0.197 0.000 2.760 148 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.246 148 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.246 148 G C -0.793 174.151 174.900 0.073 0.000 1.359 148 G CA -0.690 44.540 45.100 0.217 0.000 0.861 148 G HN 0.507 nan 8.290 nan 0.000 0.541 149 D N 1.005 121.219 120.400 -0.310 0.000 2.619 149 D HA 0.520 5.160 4.640 -0.001 0.000 0.224 149 D C -0.187 175.576 176.300 -0.894 0.000 1.133 149 D CA 0.850 54.569 54.000 -0.467 0.000 1.017 149 D CB -0.456 40.105 40.800 -0.398 0.000 1.077 149 D HN 0.284 nan 8.370 nan 0.000 0.503 150 F N 0.473 120.466 119.950 0.072 0.000 2.613 150 F HA 0.377 4.904 4.527 -0.001 0.000 0.310 150 F C -0.440 175.473 175.800 0.188 0.000 1.085 150 F CA -1.434 56.628 58.000 0.103 0.000 0.945 150 F CB 1.636 40.671 39.000 0.058 0.000 1.298 150 F HN -0.133 nan 8.300 nan 0.000 0.455 151 F N 2.134 122.221 119.950 0.228 0.000 2.426 151 F HA 0.692 5.219 4.527 -0.001 0.000 0.348 151 F C -0.548 175.374 175.800 0.203 0.000 1.124 151 F CA -1.092 57.019 58.000 0.186 0.000 1.008 151 F CB 1.191 40.291 39.000 0.166 0.000 1.139 151 F HN 0.279 nan 8.300 nan 0.000 0.452 152 S N 6.625 122.374 115.700 0.080 0.000 2.500 152 S HA 0.813 5.283 4.470 -0.001 0.000 0.301 152 S C -1.508 172.987 174.600 -0.176 0.000 1.092 152 S CA -0.299 57.797 58.200 -0.175 0.000 1.030 152 S CB 0.739 63.901 63.200 -0.064 0.000 1.031 152 S HN 0.699 nan 8.310 nan 0.000 0.483 153 Y N -0.058 120.020 120.300 -0.370 0.000 2.638 153 Y HA 0.752 5.301 4.550 -0.001 0.000 0.335 153 Y C -0.543 175.257 175.900 -0.167 0.000 1.155 153 Y CA -1.086 56.859 58.100 -0.258 0.000 1.046 153 Y CB 0.740 38.988 38.460 -0.354 0.000 1.303 153 Y HN 0.543 nan 8.280 nan 0.000 0.460 154 T N -0.168 114.428 114.554 0.071 0.000 2.855 154 T HA 0.693 5.043 4.350 -0.001 0.000 0.281 154 T C -0.690 174.087 174.700 0.129 0.000 1.007 154 T CA -1.059 61.064 62.100 0.039 0.000 1.009 154 T CB 1.583 70.486 68.868 0.058 0.000 0.983 154 T HN 0.787 nan 8.240 nan 0.000 0.455 155 R N 1.203 121.782 120.500 0.132 0.000 2.346 155 R HA 0.326 4.666 4.340 -0.001 0.000 0.311 155 R C -0.295 176.149 176.300 0.240 0.000 0.983 155 R CA -0.667 55.524 56.100 0.152 0.000 0.880 155 R CB 0.928 31.315 30.300 0.145 0.000 1.100 155 R HN 0.728 nan 8.270 nan 0.000 0.453 156 H N 2.255 121.354 119.070 0.048 0.000 2.741 156 H HA 0.132 4.688 4.556 -0.001 0.000 0.282 156 H C -0.273 175.113 175.328 0.097 0.000 1.122 156 H CA -0.340 55.742 56.048 0.058 0.000 1.293 156 H CB 0.987 30.763 29.762 0.023 0.000 1.415 156 H HN 0.395 nan 8.280 nan 0.000 0.472 157 E N 4.226 124.545 120.200 0.198 0.000 2.232 157 E HA 0.256 4.606 4.350 -0.001 0.000 0.265 157 E C -2.474 174.243 176.600 0.195 0.000 1.001 157 E CA -2.317 54.188 56.400 0.175 0.000 0.870 157 E CB 1.294 31.085 29.700 0.152 0.000 1.175 157 E HN 0.389 nan 8.360 nan 0.000 0.407 158 P HA -0.048 nan 4.420 nan 0.000 0.275 158 P C 0.638 178.067 177.300 0.215 0.000 1.228 158 P CA -0.038 63.229 63.100 0.278 0.000 0.786 158 P CB 0.788 32.765 31.700 0.462 0.000 0.927 159 V N 2.243 122.222 119.914 0.109 0.000 2.490 159 V HA -0.005 4.114 4.120 -0.001 0.000 0.250 159 V C 1.089 177.111 176.094 -0.121 0.000 1.061 159 V CA 2.874 65.183 62.300 0.014 0.000 1.064 159 V CB -1.140 30.671 31.823 -0.020 0.000 0.670 159 V HN 0.968 nan 8.190 nan 0.000 0.461 160 G N -1.214 107.375 108.800 -0.352 0.000 2.253 160 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.190 160 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.190 160 G C -0.522 173.976 174.900 -0.669 0.000 1.274 160 G CA -0.211 44.284 45.100 -1.007 0.000 1.275 160 G HN 0.583 nan 8.290 nan 0.000 0.518 161 V N 1.099 120.744 119.914 -0.449 0.000 2.427 161 V HA 0.418 4.538 4.120 -0.001 0.000 0.268 161 V C 0.311 176.331 176.094 -0.124 0.000 1.046 161 V CA -0.143 62.017 62.300 -0.233 0.000 0.970 161 V CB 0.361 32.084 31.823 -0.166 0.000 1.001 161 V HN 0.803 nan 8.190 nan 0.000 0.476 162 C N 5.012 124.277 119.300 -0.058 0.000 2.281 162 C HA 0.669 5.129 4.460 -0.001 0.000 0.323 162 C C 1.053 176.057 174.990 0.023 0.000 1.270 162 C CA -0.981 58.050 59.018 0.022 0.000 1.559 162 C CB 0.307 28.141 27.740 0.157 0.000 2.239 162 C HN 1.005 nan 8.230 nan 0.000 0.488 163 G N 3.034 111.846 108.800 0.021 0.000 2.370 163 G HA2 0.497 4.457 3.960 -0.001 0.000 0.272 163 G HA3 0.497 4.457 3.960 -0.001 0.000 0.272 163 G C -0.754 174.191 174.900 0.075 0.000 1.208 163 G CA -0.077 45.043 45.100 0.033 0.000 0.856 163 G HN 0.804 nan 8.290 nan 0.000 0.500 164 Q N 1.469 121.314 119.800 0.075 0.000 2.290 164 Q HA 0.410 4.749 4.340 -0.001 0.000 0.269 164 Q C -0.878 175.170 176.000 0.081 0.000 1.016 164 Q CA -0.389 55.469 55.803 0.092 0.000 0.754 164 Q CB 2.599 31.385 28.738 0.079 0.000 1.247 164 Q HN 0.516 nan 8.270 nan 0.000 0.451 165 I N 4.855 125.485 120.570 0.101 0.000 2.389 165 I HA 0.505 4.675 4.170 -0.001 0.000 0.288 165 I C -0.225 175.858 176.117 -0.056 0.000 0.999 165 I CA -0.815 60.541 61.300 0.093 0.000 1.129 165 I CB 1.155 39.317 38.000 0.271 0.000 1.288 165 I HN 0.530 nan 8.210 nan 0.000 0.444 166 I N 5.232 125.764 120.570 -0.063 0.000 2.892 166 I HA 0.779 4.949 4.170 -0.001 0.000 0.306 166 I C -2.781 173.257 176.117 -0.132 0.000 1.078 166 I CA -2.141 59.080 61.300 -0.133 0.000 1.032 166 I CB 2.308 40.264 38.000 -0.074 0.000 1.229 166 I HN 0.215 nan 8.210 nan 0.000 0.435 167 P HA 0.232 nan 4.420 nan 0.000 0.310 167 P C -0.355 176.860 177.300 -0.141 0.000 1.309 167 P CA -0.273 62.683 63.100 -0.240 0.000 0.769 167 P CB 0.833 32.271 31.700 -0.435 0.000 1.327 168 W N 0.272 121.554 121.300 -0.030 0.000 3.220 168 W HA 0.094 4.754 4.660 -0.001 0.000 0.328 168 W C 0.800 177.268 176.519 -0.086 0.000 1.205 168 W CA 0.071 57.390 57.345 -0.043 0.000 1.773 168 W CB -1.315 28.128 29.460 -0.030 0.000 1.086 168 W HN 0.219 nan 8.180 nan 0.000 0.622 169 N N 2.011 120.484 118.700 -0.378 0.000 2.250 169 N HA -0.140 4.600 4.740 -0.001 0.000 0.181 169 N C -0.193 174.950 175.510 -0.612 0.000 1.017 169 N CA 0.725 53.506 53.050 -0.447 0.000 0.866 169 N CB -1.048 37.039 38.487 -0.668 0.000 0.985 169 N HN 0.073 nan 8.380 nan 0.000 0.429 170 F N -0.053 119.760 119.950 -0.229 0.000 2.660 170 F HA 0.453 4.980 4.527 -0.001 0.000 0.352 170 F C -1.834 173.843 175.800 -0.205 0.000 1.257 170 F CA -2.029 55.827 58.000 -0.240 0.000 1.200 170 F CB 2.219 40.996 39.000 -0.372 0.000 1.473 170 F HN -0.147 nan 8.300 nan 0.000 0.561 171 P HA -0.156 nan 4.420 nan 0.000 0.214 171 P C 1.891 179.185 177.300 -0.010 0.000 1.163 171 P CA 1.505 64.607 63.100 0.003 0.000 0.883 171 P CB 0.417 32.134 31.700 0.029 0.000 0.788 172 L N -1.753 119.470 121.223 0.001 0.000 2.056 172 L HA -0.155 4.184 4.340 -0.001 0.000 0.207 172 L C 2.408 179.253 176.870 -0.040 0.000 1.078 172 L CA 0.961 55.802 54.840 0.002 0.000 0.749 172 L CB -0.981 41.093 42.059 0.025 0.000 0.901 172 L HN -0.018 nan 8.230 nan 0.000 0.433 173 L N -0.714 120.452 121.223 -0.096 0.000 2.056 173 L HA -0.184 4.155 4.340 -0.001 0.000 0.207 173 L C 2.477 179.093 176.870 -0.424 0.000 1.078 173 L CA 1.772 56.458 54.840 -0.256 0.000 0.749 173 L CB -0.399 41.408 42.059 -0.420 0.000 0.901 173 L HN 0.165 nan 8.230 nan 0.000 0.433 174 M N -1.004 118.368 119.600 -0.380 0.000 2.159 174 M HA -0.232 4.248 4.480 -0.001 0.000 0.263 174 M C 2.249 178.493 176.300 -0.093 0.000 1.063 174 M CA 1.621 56.729 55.300 -0.319 0.000 1.110 174 M CB -1.254 31.205 32.600 -0.235 0.000 1.374 174 M HN 0.507 nan 8.290 nan 0.000 0.411 175 Q N 0.181 119.947 119.800 -0.057 0.000 2.084 175 Q HA -0.143 4.196 4.340 -0.001 0.000 0.202 175 Q C 2.012 178.030 176.000 0.029 0.000 0.978 175 Q CA 2.084 57.882 55.803 -0.008 0.000 0.844 175 Q CB -0.022 28.713 28.738 -0.006 0.000 0.898 175 Q HN 0.487 nan 8.270 nan 0.000 0.426 176 A N -0.217 122.637 122.820 0.056 0.000 1.930 176 A HA -0.153 4.166 4.320 -0.001 0.000 0.217 176 A C 1.498 179.241 177.584 0.264 0.000 1.175 176 A CA 1.025 53.145 52.037 0.139 0.000 0.627 176 A CB -0.980 18.119 19.000 0.164 0.000 0.815 176 A HN 0.622 nan 8.150 nan 0.000 0.443 177 W N 0.564 121.870 121.300 0.009 0.000 2.392 177 W HA -0.041 4.619 4.660 -0.001 0.000 0.279 177 W C 2.059 178.555 176.519 -0.039 0.000 1.225 177 W CA 1.215 58.574 57.345 0.023 0.000 1.233 177 W CB -0.206 29.265 29.460 0.018 0.000 1.122 177 W HN 0.238 nan 8.180 nan 0.000 0.561 178 K N -0.347 120.155 120.400 0.170 0.000 2.099 178 K HA 0.087 4.406 4.320 -0.001 0.000 0.203 178 K C 2.056 178.584 176.600 -0.121 0.000 1.047 178 K CA 0.675 56.988 56.287 0.043 0.000 0.963 178 K CB -0.910 31.629 32.500 0.066 0.000 0.759 178 K HN 0.204 nan 8.250 nan 0.000 0.451 179 L N 0.421 121.596 121.223 -0.080 0.000 2.093 179 L HA -0.079 4.260 4.340 -0.001 0.000 0.208 179 L C 2.470 179.246 176.870 -0.157 0.000 1.085 179 L CA 1.255 56.014 54.840 -0.134 0.000 0.755 179 L CB -0.986 41.008 42.059 -0.109 0.000 0.904 179 L HN 0.266 nan 8.230 nan 0.000 0.435 180 G N 1.312 110.046 108.800 -0.111 0.000 2.545 180 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.217 180 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.217 180 G C -0.553 174.096 174.900 -0.418 0.000 1.218 180 G CA 1.044 46.092 45.100 -0.087 0.000 0.787 180 G HN 0.310 nan 8.290 nan 0.000 0.571 181 P HA 0.023 nan 4.420 nan 0.000 0.217 181 P C 2.049 178.925 177.300 -0.705 0.000 1.151 181 P CA 1.932 64.458 63.100 -0.957 0.000 0.828 181 P CB -0.155 30.957 31.700 -0.981 0.000 0.788 182 A N 0.347 122.617 122.820 -0.917 0.000 1.902 182 A HA -0.125 4.194 4.320 -0.001 0.000 0.217 182 A C 2.416 179.908 177.584 -0.154 0.000 1.181 182 A CA 1.481 53.069 52.037 -0.748 0.000 0.623 182 A CB -1.581 17.053 19.000 -0.610 0.000 0.818 182 A HN 0.129 nan 8.150 nan 0.000 0.443 183 L N -1.102 120.093 121.223 -0.046 0.000 2.131 183 L HA -0.054 4.285 4.340 -0.001 0.000 0.206 183 L C 3.033 180.080 176.870 0.294 0.000 1.087 183 L CA 0.754 55.765 54.840 0.285 0.000 0.767 183 L CB -0.557 41.659 42.059 0.261 0.000 0.917 183 L HN 0.406 nan 8.230 nan 0.000 0.441 184 A N 0.398 123.298 122.820 0.134 0.000 1.978 184 A HA -0.206 4.113 4.320 -0.001 0.000 0.220 184 A C 2.225 179.872 177.584 0.104 0.000 1.170 184 A CA 2.277 54.403 52.037 0.149 0.000 0.636 184 A CB -0.870 18.240 19.000 0.184 0.000 0.810 184 A HN 0.510 nan 8.150 nan 0.000 0.448 185 T N -4.491 110.103 114.554 0.067 0.000 3.144 185 T HA 0.429 4.779 4.350 -0.001 0.000 0.249 185 T C 1.221 175.991 174.700 0.117 0.000 1.089 185 T CA 0.941 63.094 62.100 0.088 0.000 0.989 185 T CB 0.109 69.026 68.868 0.081 0.000 0.992 185 T HN 1.698 nan 8.240 nan 0.000 0.540 186 G N 1.648 110.525 108.800 0.128 0.000 2.136 186 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.242 186 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.242 186 G C -0.003 175.188 174.900 0.486 0.000 0.989 186 G CA -0.261 44.876 45.100 0.062 0.000 0.682 186 G HN 0.583 nan 8.290 nan 0.000 0.522 187 N N -0.532 118.451 118.700 0.471 0.000 2.347 187 N HA 0.546 5.285 4.740 -0.001 0.000 0.253 187 N C 0.587 176.387 175.510 0.484 0.000 1.274 187 N CA 0.624 53.913 53.050 0.399 0.000 0.941 187 N CB 1.669 40.276 38.487 0.200 0.000 1.200 187 N HN 0.783 nan 8.380 nan 0.000 0.514 188 V N -2.322 117.706 119.914 0.191 0.000 2.919 188 V HA 0.744 4.864 4.120 -0.001 0.000 0.316 188 V C -0.247 175.830 176.094 -0.028 0.000 1.077 188 V CA -0.736 61.595 62.300 0.051 0.000 0.977 188 V CB 1.747 33.611 31.823 0.069 0.000 1.039 188 V HN 0.248 nan 8.190 nan 0.000 0.441 189 V N 2.664 122.539 119.914 -0.065 0.000 2.656 189 V HA 0.589 4.709 4.120 -0.001 0.000 0.307 189 V C -0.547 175.515 176.094 -0.054 0.000 1.051 189 V CA -0.509 61.760 62.300 -0.052 0.000 0.893 189 V CB 2.117 33.898 31.823 -0.068 0.000 0.999 189 V HN 0.817 nan 8.190 nan 0.000 0.426 190 V N 5.481 125.372 119.914 -0.038 0.000 2.326 190 V HA 0.482 4.602 4.120 -0.001 0.000 0.281 190 V C -0.172 175.922 176.094 -0.000 0.000 1.015 190 V CA -0.269 62.012 62.300 -0.031 0.000 0.823 190 V CB 1.411 33.200 31.823 -0.057 0.000 1.009 190 V HN 0.901 nan 8.190 nan 0.000 0.436 191 M N 5.087 124.694 119.600 0.011 0.000 2.336 191 M HA 0.569 5.048 4.480 -0.001 0.000 0.342 191 M C -0.631 175.695 176.300 0.044 0.000 1.128 191 M CA -0.510 54.806 55.300 0.026 0.000 1.016 191 M CB 1.301 33.908 32.600 0.012 0.000 1.665 191 M HN 0.382 nan 8.290 nan 0.000 0.445 192 K N 5.375 125.806 120.400 0.053 0.000 2.389 192 K HA 0.378 4.698 4.320 -0.001 0.000 0.261 192 K C -1.204 175.429 176.600 0.055 0.000 1.014 192 K CA -0.380 55.943 56.287 0.061 0.000 0.920 192 K CB 0.868 33.411 32.500 0.072 0.000 1.149 192 K HN 0.691 nan 8.250 nan 0.000 0.444 193 V N 0.952 120.901 119.914 0.059 0.000 2.904 193 V HA 0.630 4.749 4.120 -0.001 0.000 0.305 193 V C 0.493 176.621 176.094 0.056 0.000 1.067 193 V CA -1.055 61.280 62.300 0.058 0.000 1.044 193 V CB 1.033 32.901 31.823 0.075 0.000 1.050 193 V HN 0.704 nan 8.190 nan 0.000 0.475 194 A N 2.810 125.673 122.820 0.072 0.000 2.477 194 A HA 0.296 4.616 4.320 -0.001 0.000 0.246 194 A C 1.338 178.958 177.584 0.061 0.000 1.078 194 A CA 0.265 52.361 52.037 0.098 0.000 0.770 194 A CB 0.071 19.198 19.000 0.212 0.000 1.011 194 A HN 1.134 nan 8.150 nan 0.000 0.494 195 E N 2.281 122.442 120.200 -0.065 0.000 2.204 195 E HA -0.276 4.074 4.350 -0.001 0.000 0.195 195 E C 1.053 177.677 176.600 0.041 0.000 0.990 195 E CA 1.750 58.020 56.400 -0.217 0.000 0.821 195 E CB -0.315 28.922 29.700 -0.771 0.000 0.750 195 E HN 0.827 nan 8.360 nan 0.000 0.477 196 Q N 0.757 120.575 119.800 0.030 0.000 2.230 196 Q HA -0.006 4.334 4.340 -0.001 0.000 0.202 196 Q C 0.733 176.751 176.000 0.030 0.000 0.963 196 Q CA 1.732 57.521 55.803 -0.024 0.000 0.866 196 Q CB 0.277 28.863 28.738 -0.253 0.000 0.931 196 Q HN 0.485 nan 8.270 nan 0.000 0.452 197 T N -3.882 110.730 114.554 0.095 0.000 3.816 197 T HA 0.273 4.622 4.350 -0.001 0.000 0.232 197 T C -2.488 172.265 174.700 0.087 0.000 1.125 197 T CA -1.231 60.917 62.100 0.081 0.000 1.609 197 T CB 1.015 69.949 68.868 0.109 0.000 0.805 197 T HN -0.058 nan 8.240 nan 0.000 0.647 198 P HA 0.204 nan 4.420 nan 0.000 0.235 198 P C 1.494 178.838 177.300 0.074 0.000 1.177 198 P CA -0.044 63.116 63.100 0.101 0.000 0.785 198 P CB 0.355 32.141 31.700 0.143 0.000 0.885 199 L N 0.293 121.540 121.223 0.040 0.000 2.044 199 L HA -0.092 4.248 4.340 -0.001 0.000 0.205 199 L C 2.754 179.673 176.870 0.082 0.000 1.075 199 L CA 2.323 57.182 54.840 0.033 0.000 0.747 199 L CB -1.803 40.245 42.059 -0.018 0.000 0.903 199 L HN 0.084 nan 8.230 nan 0.000 0.435 200 T N -2.244 112.348 114.554 0.064 0.000 2.867 200 T HA -0.101 4.249 4.350 -0.001 0.000 0.268 200 T C 1.935 176.724 174.700 0.148 0.000 1.057 200 T CA 0.927 63.088 62.100 0.101 0.000 1.136 200 T CB -0.348 68.548 68.868 0.047 0.000 0.874 200 T HN 0.299 nan 8.240 nan 0.000 0.466 201 A N 1.535 124.417 122.820 0.104 0.000 1.969 201 A HA 0.223 4.542 4.320 -0.001 0.000 0.218 201 A C 2.407 180.049 177.584 0.097 0.000 1.169 201 A CA 1.022 53.109 52.037 0.083 0.000 0.635 201 A CB -0.795 18.241 19.000 0.059 0.000 0.810 201 A HN 0.547 nan 8.150 nan 0.000 0.445 202 L N -2.348 118.971 121.223 0.160 0.000 2.056 202 L HA -0.165 4.175 4.340 -0.001 0.000 0.207 202 L C 2.559 179.593 176.870 0.274 0.000 1.078 202 L CA 1.616 56.614 54.840 0.263 0.000 0.749 202 L CB -0.695 41.515 42.059 0.252 0.000 0.901 202 L HN 0.539 nan 8.230 nan 0.000 0.433 203 Y N 0.477 120.866 120.300 0.148 0.000 2.181 203 Y HA -0.237 4.312 4.550 -0.001 0.000 0.288 203 Y C 2.438 178.419 175.900 0.135 0.000 1.146 203 Y CA 1.510 59.722 58.100 0.188 0.000 1.164 203 Y CB -0.229 38.406 38.460 0.291 0.000 0.982 203 Y HN -0.169 nan 8.280 nan 0.000 0.515 204 V N 0.274 120.256 119.914 0.114 0.000 2.392 204 V HA -0.361 3.758 4.120 -0.001 0.000 0.249 204 V C 2.630 178.610 176.094 -0.191 0.000 1.059 204 V CA 1.678 63.969 62.300 -0.015 0.000 1.051 204 V CB -1.532 30.311 31.823 0.035 0.000 0.658 204 V HN 0.581 nan 8.190 nan 0.000 0.455 205 A N 0.181 122.824 122.820 -0.294 0.000 1.940 205 A HA -0.288 4.032 4.320 -0.001 0.000 0.219 205 A C 2.070 179.243 177.584 -0.686 0.000 1.176 205 A CA 2.280 53.847 52.037 -0.784 0.000 0.631 205 A CB -0.762 17.421 19.000 -1.361 0.000 0.814 205 A HN 0.568 nan 8.150 nan 0.000 0.446 206 N N -0.004 118.538 118.700 -0.263 0.000 2.149 206 N HA -0.083 4.657 4.740 -0.001 0.000 0.188 206 N C 1.535 176.959 175.510 -0.143 0.000 1.019 206 N CA 1.338 54.340 53.050 -0.080 0.000 0.857 206 N CB -0.392 38.024 38.487 -0.118 0.000 0.997 206 N HN 0.540 nan 8.380 nan 0.000 0.426 207 L N -0.218 120.867 121.223 -0.229 0.000 2.156 207 L HA -0.031 4.309 4.340 -0.001 0.000 0.208 207 L C 1.980 178.852 176.870 0.004 0.000 1.095 207 L CA 0.545 55.323 54.840 -0.102 0.000 0.770 207 L CB -0.313 41.704 42.059 -0.070 0.000 0.914 207 L HN 0.152 nan 8.230 nan 0.000 0.439 208 I N 0.273 120.815 120.570 -0.046 0.000 2.179 208 I HA -0.328 3.841 4.170 -0.001 0.000 0.242 208 I C 2.778 179.019 176.117 0.207 0.000 1.088 208 I CA 1.467 62.792 61.300 0.042 0.000 1.357 208 I CB -0.283 37.592 38.000 -0.208 0.000 1.051 208 I HN 0.254 nan 8.210 nan 0.000 0.409 209 K N 1.099 121.593 120.400 0.156 0.000 2.026 209 K HA -0.272 4.048 4.320 -0.001 0.000 0.208 209 K C 2.120 178.802 176.600 0.138 0.000 1.048 209 K CA 1.884 58.289 56.287 0.197 0.000 0.929 209 K CB -0.144 32.499 32.500 0.238 0.000 0.713 209 K HN 0.276 nan 8.250 nan 0.000 0.439 210 E N -0.166 120.090 120.200 0.095 0.000 2.110 210 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 210 E C 1.630 178.278 176.600 0.079 0.000 0.988 210 E CA 1.010 57.451 56.400 0.068 0.000 0.804 210 E CB -0.109 29.611 29.700 0.033 0.000 0.745 210 E HN 0.455 nan 8.360 nan 0.000 0.458 211 A N 0.005 122.897 122.820 0.120 0.000 2.067 211 A HA 0.072 4.391 4.320 -0.001 0.000 0.219 211 A C 1.819 179.415 177.584 0.021 0.000 1.158 211 A CA 1.323 53.420 52.037 0.101 0.000 0.661 211 A CB -0.435 18.691 19.000 0.209 0.000 0.801 211 A HN 0.523 nan 8.150 nan 0.000 0.452 212 G N -2.597 106.245 108.800 0.070 0.000 2.138 212 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.193 212 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.193 212 G C -0.063 174.836 174.900 -0.003 0.000 0.998 212 G CA -0.219 44.898 45.100 0.028 0.000 0.668 212 G HN 0.273 nan 8.290 nan 0.000 0.516 213 F N 1.460 121.432 119.950 0.037 0.000 2.572 213 F HA 0.392 4.918 4.527 -0.001 0.000 0.370 213 F C -1.065 174.709 175.800 -0.044 0.000 1.103 213 F CA -1.332 56.653 58.000 -0.025 0.000 1.286 213 F CB 0.375 39.292 39.000 -0.138 0.000 1.105 213 F HN -0.077 nan 8.300 nan 0.000 0.583 214 P HA 0.018 nan 4.420 nan 0.000 0.267 214 P C -2.441 174.854 177.300 -0.009 0.000 1.200 214 P CA -0.864 62.274 63.100 0.064 0.000 0.772 214 P CB -0.178 31.592 31.700 0.116 0.000 0.855 215 P HA -0.021 nan 4.420 nan 0.000 0.265 215 P C 0.883 178.122 177.300 -0.102 0.000 1.193 215 P CA 0.991 64.038 63.100 -0.087 0.000 0.765 215 P CB 0.233 31.884 31.700 -0.082 0.000 0.823 216 G N 1.480 110.190 108.800 -0.151 0.000 2.217 216 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.246 216 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.246 216 G C 0.862 175.674 174.900 -0.147 0.000 0.990 216 G CA 0.169 45.190 45.100 -0.131 0.000 0.627 216 G HN 0.388 nan 8.290 nan 0.000 0.522 217 V N -0.113 119.665 119.914 -0.228 0.000 2.427 217 V HA 0.118 4.238 4.120 -0.001 0.000 0.248 217 V C 1.384 177.297 176.094 -0.303 0.000 1.051 217 V CA 1.942 63.997 62.300 -0.408 0.000 1.048 217 V CB 0.230 31.571 31.823 -0.803 0.000 0.666 217 V HN 0.383 nan 8.190 nan 0.000 0.456 218 V N 1.596 121.385 119.914 -0.209 0.000 2.531 218 V HA 0.490 4.610 4.120 -0.001 0.000 0.301 218 V C -0.834 175.279 176.094 0.032 0.000 1.034 218 V CA -0.790 61.435 62.300 -0.125 0.000 0.865 218 V CB 1.820 33.526 31.823 -0.196 0.000 0.995 218 V HN 0.425 nan 8.190 nan 0.000 0.424 219 N N 5.202 123.912 118.700 0.017 0.000 2.258 219 N HA 0.666 5.406 4.740 -0.001 0.000 0.299 219 N C -1.301 174.257 175.510 0.080 0.000 1.047 219 N CA -0.449 52.635 53.050 0.058 0.000 0.814 219 N CB 3.128 41.582 38.487 -0.056 0.000 1.413 219 N HN 0.483 nan 8.380 nan 0.000 0.478 220 I N 1.383 122.042 120.570 0.148 0.000 2.466 220 I HA 0.319 4.488 4.170 -0.001 0.000 0.289 220 I C -0.562 175.637 176.117 0.136 0.000 1.026 220 I CA -0.976 60.393 61.300 0.114 0.000 1.078 220 I CB 2.250 40.307 38.000 0.096 0.000 1.249 220 I HN 0.054 nan 8.210 nan 0.000 0.429 221 V N 7.852 127.829 119.914 0.105 0.000 2.284 221 V HA 0.299 4.419 4.120 -0.001 0.000 0.274 221 V C -2.112 174.057 176.094 0.124 0.000 1.023 221 V CA -1.586 60.782 62.300 0.113 0.000 0.808 221 V CB 1.161 33.028 31.823 0.074 0.000 1.035 221 V HN 0.553 nan 8.190 nan 0.000 0.445 222 P HA 0.575 nan 4.420 nan 0.000 0.274 222 P C 0.254 177.650 177.300 0.160 0.000 1.231 222 P CA 0.528 63.743 63.100 0.192 0.000 0.790 222 P CB 1.857 33.726 31.700 0.281 0.000 0.951 223 G N 0.323 109.091 108.800 -0.055 0.000 2.352 223 G HA2 0.239 4.199 3.960 -0.001 0.000 0.283 223 G HA3 0.239 4.199 3.960 -0.001 0.000 0.283 223 G C -1.554 173.002 174.900 -0.574 0.000 1.308 223 G CA -0.854 44.033 45.100 -0.355 0.000 0.892 223 G HN 0.271 nan 8.290 nan 0.000 0.504 224 F N 0.298 120.122 119.950 -0.211 0.000 2.375 224 F HA 0.567 5.094 4.527 -0.001 0.000 0.317 224 F C 1.866 177.634 175.800 -0.053 0.000 1.124 224 F CA 0.758 58.658 58.000 -0.166 0.000 1.050 224 F CB 1.322 40.219 39.000 -0.172 0.000 1.314 224 F HN 0.659 nan 8.300 nan 0.000 0.511 225 G N 0.107 109.027 108.800 0.200 0.000 2.425 225 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.213 225 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.213 225 G C -1.157 173.805 174.900 0.104 0.000 1.201 225 G CA 0.429 45.612 45.100 0.138 0.000 0.799 225 G HN 0.459 nan 8.290 nan 0.000 0.534 226 P HA 0.021 nan 4.420 nan 0.000 0.230 226 P C 1.642 178.971 177.300 0.048 0.000 1.158 226 P CA 1.777 64.905 63.100 0.046 0.000 0.769 226 P CB 0.113 31.824 31.700 0.019 0.000 0.807 227 T N -3.309 111.292 114.554 0.079 0.000 3.395 227 T HA 0.274 4.623 4.350 -0.001 0.000 0.230 227 T C 1.956 176.703 174.700 0.078 0.000 0.958 227 T CA 0.622 62.767 62.100 0.076 0.000 1.377 227 T CB -1.108 67.822 68.868 0.104 0.000 1.124 227 T HN -0.100 nan 8.240 nan 0.000 0.425 228 A N 1.677 124.551 122.820 0.089 0.000 1.897 228 A HA 0.328 4.648 4.320 -0.001 0.000 0.215 228 A C 2.614 180.244 177.584 0.077 0.000 1.181 228 A CA 1.698 53.782 52.037 0.078 0.000 0.620 228 A CB -1.666 17.376 19.000 0.070 0.000 0.821 228 A HN 0.646 nan 8.150 nan 0.000 0.443 229 G N -0.336 108.514 108.800 0.083 0.000 2.421 229 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.216 229 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.216 229 G C 1.745 176.688 174.900 0.071 0.000 1.171 229 G CA 1.485 46.641 45.100 0.094 0.000 0.775 229 G HN 0.799 nan 8.290 nan 0.000 0.543 230 A N 1.001 123.854 122.820 0.054 0.000 1.969 230 A HA 0.330 4.650 4.320 -0.001 0.000 0.218 230 A C 2.772 180.381 177.584 0.042 0.000 1.169 230 A CA 2.052 54.107 52.037 0.030 0.000 0.635 230 A CB -0.635 18.377 19.000 0.019 0.000 0.810 230 A HN 0.771 nan 8.150 nan 0.000 0.445 231 A N -0.024 122.833 122.820 0.061 0.000 1.933 231 A HA -0.060 4.259 4.320 -0.001 0.000 0.218 231 A C 2.085 179.744 177.584 0.125 0.000 1.175 231 A CA 1.476 53.563 52.037 0.084 0.000 0.628 231 A CB -0.532 18.524 19.000 0.094 0.000 0.814 231 A HN 0.505 nan 8.150 nan 0.000 0.444 232 I N -0.407 120.222 120.570 0.097 0.000 2.202 232 I HA -0.228 3.942 4.170 -0.001 0.000 0.242 232 I C 2.919 179.088 176.117 0.087 0.000 1.091 232 I CA 1.070 62.422 61.300 0.087 0.000 1.368 232 I CB -0.312 37.725 38.000 0.061 0.000 1.058 232 I HN 0.329 nan 8.210 nan 0.000 0.410 233 A N -0.465 122.391 122.820 0.059 0.000 2.015 233 A HA -0.122 4.198 4.320 -0.001 0.000 0.219 233 A C 2.267 179.869 177.584 0.030 0.000 1.163 233 A CA 1.762 53.818 52.037 0.031 0.000 0.646 233 A CB -0.389 18.606 19.000 -0.008 0.000 0.806 233 A HN 0.379 nan 8.150 nan 0.000 0.448 234 S N -1.021 114.704 115.700 0.041 0.000 2.540 234 S HA 0.100 4.570 4.470 -0.001 0.000 0.218 234 S C 0.470 175.088 174.600 0.031 0.000 0.977 234 S CA -0.545 57.667 58.200 0.020 0.000 0.918 234 S CB -0.229 62.968 63.200 -0.004 0.000 0.806 234 S HN 0.680 nan 8.310 nan 0.000 0.496 235 H N 2.477 121.544 119.070 -0.006 0.000 2.764 235 H HA 0.134 4.689 4.556 -0.001 0.000 0.341 235 H C 0.751 176.075 175.328 -0.007 0.000 1.072 235 H CA 0.470 56.515 56.048 -0.004 0.000 1.444 235 H CB 0.741 30.502 29.762 -0.002 0.000 1.458 235 H HN 0.127 nan 8.280 nan 0.000 0.572 236 E N 2.791 122.931 120.200 -0.101 0.000 2.482 236 E HA -0.110 4.240 4.350 -0.001 0.000 0.196 236 E C 0.382 177.069 176.600 0.146 0.000 1.047 236 E CA 0.694 57.103 56.400 0.014 0.000 0.869 236 E CB 0.287 29.945 29.700 -0.071 0.000 0.836 236 E HN 0.572 nan 8.360 nan 0.000 0.520 237 D N -0.385 120.260 120.400 0.409 0.000 2.535 237 D HA 0.059 4.699 4.640 -0.001 0.000 0.229 237 D C -0.794 175.555 176.300 0.081 0.000 1.238 237 D CA -0.043 54.086 54.000 0.216 0.000 0.824 237 D CB 0.687 41.613 40.800 0.210 0.000 1.045 237 D HN -0.227 nan 8.370 nan 0.000 0.500 238 V N 1.621 121.589 119.914 0.090 0.000 2.407 238 V HA 0.172 4.291 4.120 -0.001 0.000 0.278 238 V C 0.818 176.909 176.094 -0.006 0.000 1.037 238 V CA -0.394 61.898 62.300 -0.014 0.000 0.900 238 V CB 1.756 33.572 31.823 -0.013 0.000 0.983 238 V HN 0.084 nan 8.190 nan 0.000 0.459 239 D N 2.954 123.327 120.400 -0.046 0.000 2.289 239 D HA 0.045 4.684 4.640 -0.001 0.000 0.207 239 D C 0.758 177.029 176.300 -0.048 0.000 0.966 239 D CA 0.872 54.844 54.000 -0.047 0.000 0.868 239 D CB 0.606 41.357 40.800 -0.082 0.000 0.943 239 D HN 0.368 nan 8.370 nan 0.000 0.514 240 K N 0.699 121.069 120.400 -0.049 0.000 2.557 240 K HA 0.313 4.632 4.320 -0.001 0.000 0.257 240 K C -2.050 174.532 176.600 -0.030 0.000 0.933 240 K CA -0.554 55.696 56.287 -0.062 0.000 0.820 240 K CB 2.928 35.362 32.500 -0.109 0.000 1.330 240 K HN -0.149 nan 8.250 nan 0.000 0.432 241 V N 2.331 122.232 119.914 -0.022 0.000 2.540 241 V HA 0.832 4.952 4.120 -0.001 0.000 0.302 241 V C -1.278 174.837 176.094 0.036 0.000 1.035 241 V CA -0.394 61.921 62.300 0.026 0.000 0.873 241 V CB 1.549 33.398 31.823 0.043 0.000 0.992 241 V HN 0.857 nan 8.190 nan 0.000 0.428 242 A N 6.612 129.485 122.820 0.088 0.000 2.304 242 A HA 0.819 5.139 4.320 -0.001 0.000 0.314 242 A C -1.277 176.422 177.584 0.192 0.000 1.187 242 A CA -0.431 51.676 52.037 0.118 0.000 0.810 242 A CB 0.842 19.928 19.000 0.142 0.000 1.183 242 A HN 1.134 nan 8.150 nan 0.000 0.487 243 F N 2.307 122.286 119.950 0.048 0.000 2.507 243 F HA 0.689 5.216 4.527 -0.001 0.000 0.325 243 F C -0.306 175.532 175.800 0.065 0.000 1.116 243 F CA -0.003 58.026 58.000 0.049 0.000 0.930 243 F CB 2.203 41.222 39.000 0.031 0.000 1.146 243 F HN 0.406 nan 8.300 nan 0.000 0.447 244 T N 4.668 118.754 114.554 -0.780 0.000 2.812 244 T HA 0.813 5.162 4.350 -0.001 0.000 0.282 244 T C -0.163 173.868 174.700 -1.115 0.000 0.990 244 T CA -0.254 61.465 62.100 -0.636 0.000 0.960 244 T CB 1.262 69.982 68.868 -0.247 0.000 0.948 244 T HN 1.106 nan 8.240 nan 0.000 0.438 245 G N 1.668 110.037 108.800 -0.719 0.000 2.360 245 G HA2 0.449 4.409 3.960 -0.001 0.000 0.276 245 G HA3 0.449 4.409 3.960 -0.001 0.000 0.276 245 G C -0.636 174.266 174.900 0.005 0.000 1.256 245 G CA -0.336 44.518 45.100 -0.410 0.000 0.890 245 G HN 0.913 nan 8.290 nan 0.000 0.486 246 S N -0.612 115.169 115.700 0.134 0.000 2.585 246 S HA 0.433 4.903 4.470 -0.001 0.000 0.273 246 S C 1.368 176.103 174.600 0.225 0.000 1.339 246 S CA 0.998 59.266 58.200 0.114 0.000 1.028 246 S CB 1.318 64.563 63.200 0.074 0.000 0.906 246 S HN 0.815 nan 8.310 nan 0.000 0.528 247 T N 1.229 115.899 114.554 0.194 0.000 2.720 247 T HA -0.163 4.187 4.350 -0.001 0.000 0.268 247 T C 1.641 176.397 174.700 0.094 0.000 1.037 247 T CA 1.810 64.014 62.100 0.174 0.000 1.144 247 T CB -0.582 68.412 68.868 0.210 0.000 0.864 247 T HN 0.869 nan 8.240 nan 0.000 0.444 248 E N 0.346 120.596 120.200 0.083 0.000 2.070 248 E HA -0.175 4.174 4.350 -0.001 0.000 0.197 248 E C 1.909 178.508 176.600 -0.001 0.000 1.004 248 E CA 1.223 57.645 56.400 0.038 0.000 0.805 248 E CB -0.059 29.671 29.700 0.049 0.000 0.744 248 E HN 0.331 nan 8.360 nan 0.000 0.451 249 I N 0.631 121.210 120.570 0.016 0.000 2.617 249 I HA -0.050 4.120 4.170 -0.001 0.000 0.256 249 I C 2.516 178.398 176.117 -0.391 0.000 1.167 249 I CA 1.079 62.306 61.300 -0.122 0.000 1.469 249 I CB -1.586 36.421 38.000 0.010 0.000 1.098 249 I HN 0.225 nan 8.210 nan 0.000 0.436 250 G N 1.388 110.041 108.800 -0.246 0.000 2.469 250 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.219 250 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.219 250 G C 1.891 176.672 174.900 -0.197 0.000 1.150 250 G CA 0.501 45.451 45.100 -0.251 0.000 0.763 250 G HN 0.319 nan 8.290 nan 0.000 0.561 251 R N -0.300 120.130 120.500 -0.116 0.000 2.081 251 R HA -0.038 4.302 4.340 -0.001 0.000 0.235 251 R C 2.704 178.934 176.300 -0.116 0.000 1.131 251 R CA 1.244 57.289 56.100 -0.090 0.000 0.960 251 R CB -0.680 29.585 30.300 -0.058 0.000 0.856 251 R HN 0.319 nan 8.270 nan 0.000 0.436 252 V N 1.705 121.533 119.914 -0.143 0.000 2.332 252 V HA -0.269 3.851 4.120 -0.001 0.000 0.248 252 V C 2.371 178.363 176.094 -0.169 0.000 1.055 252 V CA 1.575 63.791 62.300 -0.140 0.000 1.038 252 V CB -0.443 31.298 31.823 -0.136 0.000 0.651 252 V HN 0.264 nan 8.190 nan 0.000 0.450 253 I N -0.195 120.211 120.570 -0.273 0.000 2.179 253 I HA -0.279 3.891 4.170 -0.001 0.000 0.242 253 I C 2.535 178.569 176.117 -0.138 0.000 1.088 253 I CA 1.896 63.048 61.300 -0.247 0.000 1.357 253 I CB -1.195 36.560 38.000 -0.409 0.000 1.051 253 I HN 0.451 nan 8.210 nan 0.000 0.409 254 Q N 0.668 120.394 119.800 -0.123 0.000 2.124 254 Q HA -0.141 4.198 4.340 -0.001 0.000 0.202 254 Q C 2.352 178.315 176.000 -0.062 0.000 0.977 254 Q CA 1.505 57.263 55.803 -0.075 0.000 0.850 254 Q CB 0.182 28.883 28.738 -0.061 0.000 0.901 254 Q HN 0.310 nan 8.270 nan 0.000 0.429 255 V N 0.746 120.620 119.914 -0.068 0.000 2.343 255 V HA -0.257 3.863 4.120 -0.001 0.000 0.247 255 V C 2.291 178.356 176.094 -0.048 0.000 1.051 255 V CA 1.729 63.997 62.300 -0.053 0.000 1.036 255 V CB -0.940 30.852 31.823 -0.053 0.000 0.654 255 V HN 0.512 nan 8.190 nan 0.000 0.451 256 A N -0.047 122.740 122.820 -0.056 0.000 1.930 256 A HA -0.079 4.240 4.320 -0.001 0.000 0.217 256 A C 2.429 179.993 177.584 -0.032 0.000 1.175 256 A CA 1.937 53.948 52.037 -0.043 0.000 0.627 256 A CB -0.710 18.262 19.000 -0.045 0.000 0.815 256 A HN 0.554 nan 8.150 nan 0.000 0.443 257 A N -0.418 122.381 122.820 -0.035 0.000 1.877 257 A HA 0.101 4.421 4.320 -0.001 0.000 0.216 257 A C 2.406 179.975 177.584 -0.025 0.000 1.186 257 A CA 1.967 53.988 52.037 -0.026 0.000 0.620 257 A CB -1.365 17.617 19.000 -0.029 0.000 0.822 257 A HN 0.722 nan 8.150 nan 0.000 0.443 258 G N -1.069 107.713 108.800 -0.030 0.000 2.408 258 G HA2 -0.068 3.892 3.960 -0.001 0.000 0.217 258 G HA3 -0.068 3.892 3.960 -0.001 0.000 0.217 258 G C 1.670 176.555 174.900 -0.025 0.000 1.150 258 G CA 1.202 46.286 45.100 -0.027 0.000 0.776 258 G HN 0.500 nan 8.290 nan 0.000 0.542 259 S N 0.227 115.911 115.700 -0.027 0.000 2.522 259 S HA 0.031 4.500 4.470 -0.001 0.000 0.227 259 S C 2.237 176.822 174.600 -0.024 0.000 0.986 259 S CA 0.997 59.182 58.200 -0.025 0.000 0.929 259 S CB 0.037 63.221 63.200 -0.027 0.000 0.769 259 S HN 0.640 nan 8.310 nan 0.000 0.529 260 S N 3.006 118.693 115.700 -0.021 0.000 3.096 260 S HA 0.129 4.599 4.470 -0.001 0.000 0.169 260 S C 0.889 175.480 174.600 -0.015 0.000 0.736 260 S CA 0.082 58.270 58.200 -0.020 0.000 0.976 260 S CB -0.459 62.732 63.200 -0.016 0.000 0.705 260 S HN 0.448 nan 8.310 nan 0.000 0.666 261 N N 1.350 120.046 118.700 -0.008 0.000 2.235 261 N HA 0.254 4.993 4.740 -0.001 0.000 0.231 261 N C 0.115 175.621 175.510 -0.006 0.000 1.177 261 N CA -0.062 52.986 53.050 -0.003 0.000 0.874 261 N CB -0.491 38.001 38.487 0.009 0.000 1.097 261 N HN 0.652 nan 8.380 nan 0.000 0.518 262 L N -0.275 120.941 121.223 -0.012 0.000 3.843 262 L HA -0.302 4.038 4.340 -0.001 0.000 0.411 262 L C 0.027 176.886 176.870 -0.018 0.000 1.205 262 L CA 0.690 55.520 54.840 -0.017 0.000 0.945 262 L CB -1.933 40.116 42.059 -0.017 0.000 1.929 262 L HN 0.431 nan 8.230 nan 0.000 0.934 263 K N 0.044 120.436 120.400 -0.014 0.000 2.494 263 K HA 0.321 4.641 4.320 -0.001 0.000 0.273 263 K C 0.374 176.955 176.600 -0.032 0.000 0.970 263 K CA -0.363 55.912 56.287 -0.019 0.000 0.963 263 K CB 0.389 32.883 32.500 -0.010 0.000 0.913 263 K HN 0.057 nan 8.250 nan 0.000 0.502 264 R N 0.937 121.410 120.500 -0.046 0.000 2.539 264 R HA 0.285 4.624 4.340 -0.001 0.000 0.275 264 R C -0.651 175.611 176.300 -0.063 0.000 1.077 264 R CA -0.434 55.629 56.100 -0.061 0.000 1.097 264 R CB 1.088 31.338 30.300 -0.084 0.000 1.018 264 R HN 0.441 nan 8.270 nan 0.000 0.483 265 V N 1.593 121.472 119.914 -0.058 0.000 2.638 265 V HA 0.540 4.660 4.120 -0.001 0.000 0.306 265 V C -0.474 175.597 176.094 -0.039 0.000 1.052 265 V CA -0.742 61.535 62.300 -0.038 0.000 0.885 265 V CB 2.165 33.973 31.823 -0.025 0.000 0.999 265 V HN 1.007 nan 8.190 nan 0.000 0.424 266 T N 2.763 117.306 114.554 -0.018 0.000 2.907 266 T HA 0.878 5.228 4.350 -0.001 0.000 0.292 266 T C -1.046 173.708 174.700 0.090 0.000 1.043 266 T CA -0.769 61.336 62.100 0.008 0.000 1.003 266 T CB 1.874 70.728 68.868 -0.023 0.000 1.084 266 T HN 0.389 nan 8.240 nan 0.000 0.483 267 L N 1.487 122.775 121.223 0.107 0.000 2.436 267 L HA 0.576 4.916 4.340 -0.001 0.000 0.268 267 L C -0.595 176.371 176.870 0.161 0.000 0.974 267 L CA -0.864 54.090 54.840 0.191 0.000 0.826 267 L CB 2.315 44.478 42.059 0.173 0.000 1.291 267 L HN 0.661 nan 8.230 nan 0.000 0.406 268 E N 4.943 125.248 120.200 0.176 0.000 2.186 268 E HA 0.563 4.912 4.350 -0.001 0.000 0.255 268 E C -0.846 175.838 176.600 0.139 0.000 0.881 268 E CA -0.246 56.249 56.400 0.159 0.000 0.752 268 E CB 2.562 32.391 29.700 0.214 0.000 1.176 268 E HN 0.481 nan 8.360 nan 0.000 0.421 269 L N 0.219 121.534 121.223 0.155 0.000 2.670 269 L HA 0.665 5.004 4.340 -0.001 0.000 0.251 269 L C 1.139 178.085 176.870 0.126 0.000 1.548 269 L CA -1.148 53.791 54.840 0.166 0.000 1.643 269 L CB 0.248 42.437 42.059 0.216 0.000 2.174 269 L HN 0.423 nan 8.230 nan 0.000 0.585 270 G N -1.495 107.391 108.800 0.142 0.000 2.543 270 G HA2 0.579 4.539 3.960 -0.001 0.000 0.290 270 G HA3 0.579 4.539 3.960 -0.001 0.000 0.290 270 G C -0.722 173.995 174.900 -0.306 0.000 1.310 270 G CA 0.048 45.110 45.100 -0.064 0.000 1.025 270 G HN 0.767 nan 8.290 nan 0.000 0.502 271 G N -1.649 106.750 108.800 -0.669 0.000 2.684 271 G HA2 0.510 4.470 3.960 -0.001 0.000 0.290 271 G HA3 0.510 4.470 3.960 -0.001 0.000 0.290 271 G C -1.346 173.132 174.900 -0.703 0.000 1.425 271 G CA -0.659 44.050 45.100 -0.650 0.000 0.822 271 G HN 0.568 nan 8.290 nan 0.000 0.482 272 K N 0.612 120.839 120.400 -0.289 0.000 3.098 272 K HA 0.441 4.760 4.320 -0.001 0.000 0.170 272 K C -0.236 176.414 176.600 0.083 0.000 1.106 272 K CA -0.300 55.962 56.287 -0.042 0.000 0.864 272 K CB 0.339 32.907 32.500 0.113 0.000 1.047 272 K HN 0.393 nan 8.250 nan 0.000 0.609 273 S N 3.455 119.219 115.700 0.108 0.000 2.549 273 S HA 0.314 4.784 4.470 -0.001 0.000 0.279 273 S C -2.407 172.332 174.600 0.231 0.000 1.321 273 S CA -0.869 57.446 58.200 0.192 0.000 1.054 273 S CB 0.655 64.033 63.200 0.297 0.000 0.899 273 S HN 0.394 nan 8.310 nan 0.000 0.497 274 P HA 0.297 nan 4.420 nan 0.000 0.290 274 P C -1.090 176.424 177.300 0.357 0.000 1.276 274 P CA -0.737 62.568 63.100 0.341 0.000 0.808 274 P CB 0.631 32.537 31.700 0.344 0.000 0.966 275 N N 3.553 122.461 118.700 0.347 0.000 2.518 275 N HA 0.332 5.072 4.740 -0.001 0.000 0.254 275 N C -1.112 174.584 175.510 0.309 0.000 0.979 275 N CA -0.616 52.648 53.050 0.357 0.000 0.930 275 N CB 0.081 38.683 38.487 0.192 0.000 1.152 275 N HN 0.271 nan 8.380 nan 0.000 0.505 276 I N 4.150 124.914 120.570 0.325 0.000 2.312 276 I HA 0.344 4.514 4.170 -0.001 0.000 0.290 276 I C -0.244 176.062 176.117 0.316 0.000 1.008 276 I CA -0.755 60.694 61.300 0.249 0.000 1.226 276 I CB 1.131 39.168 38.000 0.062 0.000 1.371 276 I HN 0.313 nan 8.210 nan 0.000 0.468 277 I N 7.038 127.776 120.570 0.281 0.000 2.330 277 I HA 0.311 4.481 4.170 -0.001 0.000 0.286 277 I C 0.196 176.486 176.117 0.288 0.000 1.025 277 I CA -0.568 60.856 61.300 0.207 0.000 1.197 277 I CB 0.795 38.700 38.000 -0.158 0.000 1.358 277 I HN 0.465 nan 8.210 nan 0.000 0.467 278 M N 3.623 123.407 119.600 0.307 0.000 2.228 278 M HA 0.125 4.604 4.480 -0.001 0.000 0.326 278 M C 1.713 178.101 176.300 0.146 0.000 1.122 278 M CA 0.027 55.481 55.300 0.258 0.000 1.161 278 M CB 0.582 33.315 32.600 0.221 0.000 1.437 278 M HN 0.666 nan 8.290 nan 0.000 0.465 279 S N 0.326 116.070 115.700 0.073 0.000 2.442 279 S HA -0.150 4.320 4.470 -0.001 0.000 0.236 279 S C 0.799 175.446 174.600 0.079 0.000 1.007 279 S CA 1.316 59.544 58.200 0.046 0.000 0.965 279 S CB -0.507 62.694 63.200 0.000 0.000 0.773 279 S HN 0.742 nan 8.310 nan 0.000 0.504 280 D N 1.656 122.113 120.400 0.095 0.000 2.328 280 D HA 0.366 5.005 4.640 -0.001 0.000 0.221 280 D C 0.585 176.967 176.300 0.136 0.000 1.072 280 D CA 0.128 54.187 54.000 0.098 0.000 0.850 280 D CB -0.365 40.481 40.800 0.077 0.000 0.922 280 D HN 0.515 nan 8.370 nan 0.000 0.516 281 A N 0.625 123.554 122.820 0.182 0.000 2.425 281 A HA 0.124 4.443 4.320 -0.001 0.000 0.242 281 A C 0.369 178.097 177.584 0.241 0.000 1.077 281 A CA -0.302 51.890 52.037 0.259 0.000 0.781 281 A CB 0.178 19.383 19.000 0.341 0.000 1.020 281 A HN 0.177 nan 8.150 nan 0.000 0.494 282 D N 1.952 122.523 120.400 0.284 0.000 2.363 282 D HA 0.062 4.702 4.640 -0.001 0.000 0.263 282 D C 1.008 177.482 176.300 0.290 0.000 1.258 282 D CA -0.103 54.051 54.000 0.258 0.000 0.907 282 D CB 0.486 41.450 40.800 0.273 0.000 1.107 282 D HN 0.484 nan 8.370 nan 0.000 0.495 283 M N 4.298 124.023 119.600 0.209 0.000 2.067 283 M HA -0.181 4.299 4.480 -0.001 0.000 0.260 283 M C 1.055 177.443 176.300 0.146 0.000 1.069 283 M CA 1.663 57.075 55.300 0.187 0.000 1.117 283 M CB -0.225 32.455 32.600 0.133 0.000 1.334 283 M HN 0.267 nan 8.290 nan 0.000 0.407 284 D N -0.701 119.781 120.400 0.137 0.000 2.104 284 D HA -0.240 4.399 4.640 -0.001 0.000 0.194 284 D C 1.816 178.222 176.300 0.178 0.000 0.994 284 D CA 1.550 55.615 54.000 0.109 0.000 0.830 284 D CB -0.754 40.115 40.800 0.115 0.000 0.959 284 D HN 0.665 nan 8.370 nan 0.000 0.452 285 W N 1.584 122.924 121.300 0.067 0.000 2.381 285 W HA -0.138 4.521 4.660 -0.001 0.000 0.301 285 W C 2.116 178.697 176.519 0.103 0.000 1.205 285 W CA 1.469 58.879 57.345 0.108 0.000 1.285 285 W CB -0.044 29.519 29.460 0.172 0.000 1.133 285 W HN -0.021 nan 8.180 nan 0.000 0.521 286 A N 0.432 123.333 122.820 0.135 0.000 1.902 286 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 286 A C 2.044 179.524 177.584 -0.174 0.000 1.181 286 A CA 2.171 54.094 52.037 -0.191 0.000 0.623 286 A CB -1.156 17.893 19.000 0.082 0.000 0.818 286 A HN 0.147 nan 8.150 nan 0.000 0.443 287 V N -0.072 119.764 119.914 -0.131 0.000 2.295 287 V HA -0.241 3.879 4.120 -0.001 0.000 0.246 287 V C 2.625 178.574 176.094 -0.242 0.000 1.049 287 V CA 2.464 64.537 62.300 -0.379 0.000 1.024 287 V CB -0.682 30.870 31.823 -0.451 0.000 0.648 287 V HN 0.715 nan 8.190 nan 0.000 0.447 288 E N -0.094 119.984 120.200 -0.204 0.000 2.077 288 E HA -0.203 4.146 4.350 -0.001 0.000 0.193 288 E C 2.278 178.766 176.600 -0.186 0.000 0.989 288 E CA 1.329 57.627 56.400 -0.171 0.000 0.800 288 E CB -0.223 29.379 29.700 -0.163 0.000 0.746 288 E HN 0.516 nan 8.360 nan 0.000 0.452 289 Q N -0.467 119.086 119.800 -0.412 0.000 2.172 289 Q HA -0.003 4.337 4.340 -0.001 0.000 0.200 289 Q C 2.096 177.985 176.000 -0.185 0.000 0.964 289 Q CA 1.236 56.830 55.803 -0.349 0.000 0.855 289 Q CB -0.210 28.240 28.738 -0.481 0.000 0.918 289 Q HN 0.385 nan 8.270 nan 0.000 0.444 290 A N 0.117 122.799 122.820 -0.230 0.000 1.969 290 A HA -0.211 4.108 4.320 -0.001 0.000 0.218 290 A C 1.871 179.434 177.584 -0.035 0.000 1.169 290 A CA 1.746 53.702 52.037 -0.136 0.000 0.635 290 A CB -0.665 18.391 19.000 0.094 0.000 0.810 290 A HN 0.438 nan 8.150 nan 0.000 0.445 291 H N -1.543 117.515 119.070 -0.021 0.000 2.293 291 H HA -0.147 4.409 4.556 -0.001 0.000 0.300 291 H C 1.724 177.183 175.328 0.218 0.000 1.082 291 H CA 2.238 58.383 56.048 0.161 0.000 1.308 291 H CB -0.444 29.365 29.762 0.078 0.000 1.375 291 H HN 0.436 nan 8.280 nan 0.000 0.495 292 F N 0.816 120.802 119.950 0.060 0.000 2.091 292 F HA -0.245 4.281 4.527 -0.001 0.000 0.299 292 F C 2.564 178.325 175.800 -0.064 0.000 1.103 292 F CA 1.696 59.706 58.000 0.017 0.000 1.228 292 F CB -0.702 38.269 39.000 -0.049 0.000 0.984 292 F HN 0.316 nan 8.300 nan 0.000 0.477 293 A N 0.265 122.986 122.820 -0.165 0.000 1.978 293 A HA -0.186 4.134 4.320 -0.001 0.000 0.220 293 A C 2.195 179.508 177.584 -0.452 0.000 1.170 293 A CA 1.831 53.544 52.037 -0.539 0.000 0.636 293 A CB -0.919 17.366 19.000 -1.192 0.000 0.810 293 A HN 0.540 nan 8.150 nan 0.000 0.448 294 L N -2.214 118.758 121.223 -0.419 0.000 2.200 294 L HA 0.192 4.532 4.340 -0.001 0.000 0.200 294 L C 1.912 178.448 176.870 -0.558 0.000 1.072 294 L CA 1.606 56.132 54.840 -0.523 0.000 0.787 294 L CB -0.744 40.885 42.059 -0.716 0.000 0.957 294 L HN 0.420 nan 8.230 nan 0.000 0.459 295 F N -0.790 118.951 119.950 -0.348 0.000 2.743 295 F HA 0.008 4.534 4.527 -0.001 0.000 0.297 295 F C 1.132 176.776 175.800 -0.261 0.000 1.131 295 F CA -0.302 57.501 58.000 -0.328 0.000 1.426 295 F CB -0.267 38.444 39.000 -0.482 0.000 1.116 295 F HN -0.090 nan 8.300 nan 0.000 0.583 296 F N 2.101 121.830 119.950 -0.368 0.000 2.629 296 F HA -0.070 4.456 4.527 -0.001 0.000 0.377 296 F C 1.240 176.885 175.800 -0.258 0.000 1.101 296 F CA -0.009 57.729 58.000 -0.438 0.000 1.301 296 F CB 0.173 38.655 39.000 -0.864 0.000 1.062 296 F HN 0.120 nan 8.300 nan 0.000 0.583 297 N N 3.377 121.473 118.700 -1.006 0.000 2.740 297 N HA -0.298 4.441 4.740 -0.001 0.000 0.248 297 N C -0.096 175.110 175.510 -0.506 0.000 1.062 297 N CA 1.362 53.867 53.050 -0.908 0.000 0.704 297 N CB -1.016 36.736 38.487 -1.225 0.000 0.968 297 N HN 0.766 nan 8.380 nan 0.000 0.547 298 Q N -2.225 117.398 119.800 -0.295 0.000 2.480 298 Q HA -0.167 4.173 4.340 -0.001 0.000 0.265 298 Q C 1.186 177.079 176.000 -0.179 0.000 1.072 298 Q CA 2.221 57.933 55.803 -0.151 0.000 1.018 298 Q CB -1.879 26.779 28.738 -0.133 0.000 1.433 298 Q HN 1.211 nan 8.270 nan 0.000 0.513 299 G N -1.079 107.570 108.800 -0.253 0.000 2.168 299 G HA2 -0.390 3.570 3.960 -0.001 0.000 0.263 299 G HA3 -0.390 3.570 3.960 -0.001 0.000 0.263 299 G C 0.153 174.724 174.900 -0.549 0.000 0.977 299 G CA 0.437 45.342 45.100 -0.325 0.000 0.659 299 G HN 0.453 nan 8.290 nan 0.000 0.533 300 Q N -0.052 119.328 119.800 -0.699 0.000 3.041 300 Q HA 0.468 4.808 4.340 -0.001 0.000 0.372 300 Q C -0.181 175.128 176.000 -1.151 0.000 1.241 300 Q CA -0.188 54.815 55.803 -1.332 0.000 1.010 300 Q CB 0.390 28.729 28.738 -0.665 0.000 1.467 300 Q HN 0.413 nan 8.270 nan 0.000 0.462 301 C N 0.180 119.014 119.300 -0.776 0.000 2.441 301 C HA 0.198 4.658 4.460 -0.001 0.000 0.318 301 C C 1.837 176.931 174.990 0.173 0.000 1.222 301 C CA -0.532 58.440 59.018 -0.077 0.000 1.474 301 C CB 1.555 29.378 27.740 0.139 0.000 2.125 301 C HN 0.770 nan 8.230 nan 0.000 0.479 302 S N 0.754 116.700 115.700 0.411 0.000 2.383 302 S HA -0.177 4.293 4.470 -0.001 0.000 0.229 302 S C 1.297 176.102 174.600 0.342 0.000 1.030 302 S CA 1.828 60.279 58.200 0.418 0.000 1.002 302 S CB -0.626 62.795 63.200 0.369 0.000 0.829 302 S HN 1.000 nan 8.310 nan 0.000 0.467 303 C N 1.735 121.315 119.300 0.466 0.000 2.614 303 C HA 0.813 5.272 4.460 -0.001 0.000 0.299 303 C C 1.190 176.497 174.990 0.529 0.000 1.293 303 C CA -1.422 57.915 59.018 0.532 0.000 1.713 303 C CB -2.214 26.027 27.740 0.836 0.000 1.890 303 C HN 0.628 nan 8.230 nan 0.000 0.602 304 A N 1.141 124.155 122.820 0.323 0.000 2.561 304 A HA 0.432 4.752 4.320 -0.001 0.000 0.234 304 A C 1.110 178.789 177.584 0.159 0.000 1.055 304 A CA 0.842 52.984 52.037 0.175 0.000 0.756 304 A CB -0.128 18.858 19.000 -0.024 0.000 0.986 304 A HN 1.140 nan 8.150 nan 0.000 0.505 305 G N 1.376 110.133 108.800 -0.072 0.000 2.916 305 G HA2 0.360 4.320 3.960 -0.001 0.000 0.280 305 G HA3 0.360 4.320 3.960 -0.001 0.000 0.280 305 G C 0.832 175.652 174.900 -0.134 0.000 0.758 305 G CA 0.391 45.407 45.100 -0.140 0.000 1.993 305 G HN 1.208 nan 8.290 nan 0.000 0.564 306 S N 1.079 116.748 115.700 -0.051 0.000 2.556 306 S HA 0.225 4.694 4.470 -0.001 0.000 0.216 306 S C 0.879 175.426 174.600 -0.089 0.000 0.970 306 S CA -0.473 57.667 58.200 -0.099 0.000 0.912 306 S CB 0.483 63.631 63.200 -0.086 0.000 0.790 306 S HN 0.411 nan 8.310 nan 0.000 0.504 307 R N 1.795 122.259 120.500 -0.060 0.000 2.407 307 R HA 0.336 4.675 4.340 -0.001 0.000 0.298 307 R C -1.224 174.971 176.300 -0.175 0.000 1.166 307 R CA -0.131 55.862 56.100 -0.178 0.000 1.006 307 R CB 1.326 31.538 30.300 -0.146 0.000 1.145 307 R HN 0.113 nan 8.270 nan 0.000 0.538 308 T N 3.982 118.423 114.554 -0.189 0.000 2.794 308 T HA 0.262 4.612 4.350 -0.001 0.000 0.304 308 T C -0.245 174.377 174.700 -0.130 0.000 0.973 308 T CA -0.018 62.027 62.100 -0.091 0.000 0.972 308 T CB -0.061 68.785 68.868 -0.036 0.000 0.952 308 T HN 0.195 nan 8.240 nan 0.000 0.509 309 F N 2.742 122.719 119.950 0.044 0.000 2.411 309 F HA 0.466 4.992 4.527 -0.001 0.000 0.355 309 F C 0.270 176.234 175.800 0.273 0.000 1.117 309 F CA -0.712 57.382 58.000 0.156 0.000 1.139 309 F CB 1.014 40.013 39.000 -0.002 0.000 1.120 309 F HN 0.187 nan 8.300 nan 0.000 0.493 310 V N 4.021 124.213 119.914 0.463 0.000 2.487 310 V HA 0.257 4.377 4.120 -0.001 0.000 0.298 310 V C -0.144 175.914 176.094 -0.060 0.000 1.028 310 V CA -1.053 61.324 62.300 0.129 0.000 0.860 310 V CB 1.530 33.223 31.823 -0.217 0.000 0.991 310 V HN 0.567 nan 8.190 nan 0.000 0.427 311 Q N 3.084 122.635 119.800 -0.415 0.000 2.364 311 Q HA 0.043 4.383 4.340 -0.001 0.000 0.267 311 Q C 1.401 177.189 176.000 -0.353 0.000 0.999 311 Q CA 0.285 55.528 55.803 -0.934 0.000 0.886 311 Q CB 1.238 29.580 28.738 -0.660 0.000 1.243 311 Q HN 1.014 nan 8.270 nan 0.000 0.415 312 E N 2.540 122.536 120.200 -0.340 0.000 2.160 312 E HA -0.240 4.110 4.350 -0.001 0.000 0.195 312 E C 0.219 176.799 176.600 -0.033 0.000 0.991 312 E CA 1.542 57.863 56.400 -0.133 0.000 0.810 312 E CB 0.094 29.705 29.700 -0.148 0.000 0.742 312 E HN 0.532 nan 8.360 nan 0.000 0.466 313 D N 1.174 121.539 120.400 -0.058 0.000 2.264 313 D HA -0.066 4.574 4.640 -0.001 0.000 0.208 313 D C 1.946 178.266 176.300 0.034 0.000 0.966 313 D CA 1.143 55.139 54.000 -0.007 0.000 0.864 313 D CB 0.022 40.811 40.800 -0.019 0.000 0.933 313 D HN 0.610 nan 8.370 nan 0.000 0.499 314 I N -3.463 117.134 120.570 0.044 0.000 4.082 314 I HA 0.173 4.342 4.170 -0.001 0.000 0.337 314 I C 1.820 178.020 176.117 0.139 0.000 1.352 314 I CA -0.538 60.814 61.300 0.087 0.000 1.097 314 I CB -0.084 37.968 38.000 0.085 0.000 1.048 314 I HN -0.257 nan 8.210 nan 0.000 0.393 315 Y N 2.721 123.030 120.300 0.015 0.000 2.128 315 Y HA -0.272 4.278 4.550 -0.001 0.000 0.284 315 Y C 2.009 177.974 175.900 0.110 0.000 1.154 315 Y CA 2.166 60.295 58.100 0.047 0.000 1.149 315 Y CB -0.067 38.392 38.460 -0.000 0.000 0.976 315 Y HN 0.198 nan 8.280 nan 0.000 0.505 316 D N -0.045 120.488 120.400 0.221 0.000 2.117 316 D HA -0.196 4.444 4.640 -0.001 0.000 0.197 316 D C 2.080 178.398 176.300 0.030 0.000 0.987 316 D CA 1.669 55.745 54.000 0.127 0.000 0.829 316 D CB -0.395 40.490 40.800 0.142 0.000 0.961 316 D HN 0.633 nan 8.370 nan 0.000 0.460 317 E N -0.423 119.810 120.200 0.056 0.000 2.072 317 E HA -0.171 4.178 4.350 -0.001 0.000 0.191 317 E C 2.042 178.648 176.600 0.011 0.000 0.985 317 E CA 0.445 56.864 56.400 0.032 0.000 0.801 317 E CB -0.246 29.485 29.700 0.051 0.000 0.750 317 E HN 0.218 nan 8.360 nan 0.000 0.452 318 F N 0.742 120.632 119.950 -0.100 0.000 2.126 318 F HA -0.220 4.306 4.527 -0.001 0.000 0.299 318 F C 2.021 177.717 175.800 -0.173 0.000 1.096 318 F CA 1.345 59.270 58.000 -0.124 0.000 1.255 318 F CB -0.100 38.826 39.000 -0.125 0.000 0.997 318 F HN -0.090 nan 8.300 nan 0.000 0.479 319 V N 0.329 120.205 119.914 -0.062 0.000 2.307 319 V HA -0.296 3.824 4.120 -0.001 0.000 0.245 319 V C 2.344 178.357 176.094 -0.135 0.000 1.045 319 V CA 2.229 64.441 62.300 -0.146 0.000 1.024 319 V CB -0.696 30.954 31.823 -0.289 0.000 0.651 319 V HN 0.423 nan 8.190 nan 0.000 0.449 320 E N 0.218 120.355 120.200 -0.105 0.000 2.058 320 E HA -0.275 4.074 4.350 -0.001 0.000 0.194 320 E C 2.438 178.962 176.600 -0.128 0.000 0.997 320 E CA 1.635 57.982 56.400 -0.087 0.000 0.801 320 E CB -0.058 29.609 29.700 -0.054 0.000 0.746 320 E HN 0.522 nan 8.360 nan 0.000 0.450 321 R N -0.155 120.237 120.500 -0.180 0.000 2.092 321 R HA -0.018 4.321 4.340 -0.001 0.000 0.231 321 R C 2.631 178.768 176.300 -0.272 0.000 1.119 321 R CA 1.280 57.248 56.100 -0.221 0.000 0.970 321 R CB -0.090 30.057 30.300 -0.255 0.000 0.864 321 R HN 0.059 nan 8.270 nan 0.000 0.440 322 S N 0.308 115.798 115.700 -0.351 0.000 2.383 322 S HA -0.085 4.384 4.470 -0.001 0.000 0.227 322 S C 2.059 176.586 174.600 -0.121 0.000 1.026 322 S CA 1.054 59.090 58.200 -0.274 0.000 0.981 322 S CB -0.044 62.986 63.200 -0.282 0.000 0.818 322 S HN 0.068 nan 8.310 nan 0.000 0.472 323 V N 1.933 121.782 119.914 -0.109 0.000 2.358 323 V HA -0.156 3.964 4.120 -0.001 0.000 0.246 323 V C 2.635 178.670 176.094 -0.099 0.000 1.047 323 V CA 1.604 63.860 62.300 -0.074 0.000 1.035 323 V CB -1.165 30.622 31.823 -0.061 0.000 0.658 323 V HN 0.527 nan 8.190 nan 0.000 0.452 324 A N 0.391 123.141 122.820 -0.117 0.000 1.908 324 A HA -0.271 4.049 4.320 -0.001 0.000 0.218 324 A C 2.305 179.792 177.584 -0.161 0.000 1.181 324 A CA 2.255 54.218 52.037 -0.122 0.000 0.627 324 A CB -0.518 18.413 19.000 -0.116 0.000 0.818 324 A HN 0.458 nan 8.150 nan 0.000 0.445 325 R N 0.097 120.471 120.500 -0.210 0.000 2.092 325 R HA 0.062 4.401 4.340 -0.001 0.000 0.231 325 R C 2.094 178.175 176.300 -0.364 0.000 1.119 325 R CA 1.774 57.675 56.100 -0.331 0.000 0.970 325 R CB -0.853 29.184 30.300 -0.438 0.000 0.864 325 R HN 0.378 nan 8.270 nan 0.000 0.440 326 A N 0.674 123.371 122.820 -0.205 0.000 1.930 326 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 326 A C 1.911 179.385 177.584 -0.183 0.000 1.175 326 A CA 1.510 53.434 52.037 -0.189 0.000 0.627 326 A CB -0.357 18.581 19.000 -0.104 0.000 0.815 326 A HN 0.357 nan 8.150 nan 0.000 0.443 327 K N 0.326 120.642 120.400 -0.140 0.000 2.211 327 K HA -0.087 4.233 4.320 -0.001 0.000 0.203 327 K C 2.125 178.656 176.600 -0.116 0.000 1.050 327 K CA 1.382 57.602 56.287 -0.112 0.000 0.945 327 K CB -0.117 32.329 32.500 -0.090 0.000 0.732 327 K HN 0.649 nan 8.250 nan 0.000 0.451 328 S N 0.695 116.310 115.700 -0.141 0.000 2.527 328 S HA -0.041 4.428 4.470 -0.001 0.000 0.222 328 S C 0.894 175.420 174.600 -0.124 0.000 0.985 328 S CA -0.244 57.880 58.200 -0.127 0.000 0.921 328 S CB -0.057 63.060 63.200 -0.138 0.000 0.772 328 S HN 0.144 nan 8.310 nan 0.000 0.529 329 R N 1.709 122.121 120.500 -0.147 0.000 2.421 329 R HA 0.265 4.604 4.340 -0.001 0.000 0.305 329 R C -1.081 175.174 176.300 -0.075 0.000 1.039 329 R CA -0.162 55.871 56.100 -0.112 0.000 1.003 329 R CB 0.346 30.561 30.300 -0.141 0.000 0.959 329 R HN 0.176 nan 8.270 nan 0.000 0.427 330 V N 6.351 126.239 119.914 -0.043 0.000 2.455 330 V HA 0.136 4.256 4.120 -0.001 0.000 0.273 330 V C 0.034 176.119 176.094 -0.015 0.000 1.045 330 V CA -0.386 61.893 62.300 -0.034 0.000 0.976 330 V CB 1.324 33.133 31.823 -0.023 0.000 0.993 330 V HN 0.491 nan 8.190 nan 0.000 0.475 331 V N 4.938 124.836 119.914 -0.028 0.000 2.435 331 V HA 0.983 5.103 4.120 -0.001 0.000 0.290 331 V C 0.652 176.689 176.094 -0.094 0.000 1.030 331 V CA 0.426 62.725 62.300 -0.001 0.000 0.881 331 V CB 1.016 32.852 31.823 0.022 0.000 0.983 331 V HN 1.105 nan 8.190 nan 0.000 0.445 332 G N 3.214 111.972 108.800 -0.069 0.000 2.341 332 G HA2 0.182 4.142 3.960 -0.001 0.000 0.299 332 G HA3 0.182 4.142 3.960 -0.001 0.000 0.299 332 G C -1.037 173.857 174.900 -0.011 0.000 1.274 332 G CA -0.869 44.111 45.100 -0.199 0.000 0.853 332 G HN 0.570 nan 8.290 nan 0.000 0.493 333 N N 1.733 120.420 118.700 -0.021 0.000 2.374 333 N HA 0.113 4.853 4.740 -0.001 0.000 0.269 333 N C -0.864 174.710 175.510 0.107 0.000 1.310 333 N CA -1.128 51.986 53.050 0.108 0.000 0.877 333 N CB 1.433 39.968 38.487 0.081 0.000 1.096 333 N HN 0.134 nan 8.380 nan 0.000 0.484 334 P HA -0.084 nan 4.420 nan 0.000 0.230 334 P C 0.803 178.018 177.300 -0.142 0.000 1.158 334 P CA 0.992 64.054 63.100 -0.064 0.000 0.769 334 P CB -0.053 31.539 31.700 -0.180 0.000 0.807 335 F N -0.106 119.879 119.950 0.059 0.000 2.710 335 F HA 0.073 4.599 4.527 -0.000 0.000 0.298 335 F C 1.312 177.128 175.800 0.027 0.000 1.137 335 F CA -0.023 57.992 58.000 0.024 0.000 1.444 335 F CB -0.085 38.877 39.000 -0.063 0.000 1.111 335 F HN -0.122 nan 8.300 nan 0.000 0.580 336 D N 0.270 120.775 120.400 0.174 0.000 2.351 336 D HA -0.017 4.623 4.640 -0.001 0.000 0.251 336 D C 1.269 177.631 176.300 0.103 0.000 1.137 336 D CA 0.299 54.365 54.000 0.109 0.000 0.879 336 D CB 1.498 42.335 40.800 0.062 0.000 1.181 336 D HN 0.146 nan 8.370 nan 0.000 0.448 337 S N 3.709 119.467 115.700 0.096 0.000 2.419 337 S HA -0.174 4.295 4.470 -0.001 0.000 0.235 337 S C 1.443 176.083 174.600 0.067 0.000 1.019 337 S CA 0.840 59.096 58.200 0.094 0.000 0.982 337 S CB -0.041 63.207 63.200 0.079 0.000 0.789 337 S HN 0.526 nan 8.310 nan 0.000 0.490 338 K N 0.945 121.373 120.400 0.047 0.000 2.366 338 K HA 0.105 4.425 4.320 -0.001 0.000 0.198 338 K C 0.125 176.744 176.600 0.031 0.000 1.044 338 K CA 0.443 56.749 56.287 0.031 0.000 0.973 338 K CB -0.158 32.350 32.500 0.013 0.000 0.767 338 K HN 0.281 nan 8.250 nan 0.000 0.475 339 T N 1.717 116.295 114.554 0.040 0.000 2.853 339 T HA 0.026 4.376 4.350 -0.001 0.000 0.298 339 T C 0.781 175.511 174.700 0.050 0.000 0.978 339 T CA 0.305 62.428 62.100 0.038 0.000 1.152 339 T CB 1.014 69.911 68.868 0.048 0.000 0.914 339 T HN 0.186 nan 8.240 nan 0.000 0.539 340 E N 1.766 121.993 120.200 0.046 0.000 2.307 340 E HA 0.061 4.411 4.350 -0.001 0.000 0.195 340 E C 0.753 177.389 176.600 0.060 0.000 0.975 340 E CA 0.179 56.618 56.400 0.065 0.000 0.878 340 E CB 0.585 30.324 29.700 0.065 0.000 0.845 340 E HN 0.537 nan 8.360 nan 0.000 0.488 341 Q N 0.295 120.128 119.800 0.055 0.000 2.292 341 Q HA 0.405 4.745 4.340 -0.001 0.000 0.270 341 Q C -0.502 175.571 176.000 0.121 0.000 1.024 341 Q CA -0.612 55.227 55.803 0.060 0.000 0.768 341 Q CB 1.692 30.468 28.738 0.063 0.000 1.250 341 Q HN 0.139 nan 8.270 nan 0.000 0.447 342 G N 3.258 112.100 108.800 0.070 0.000 2.508 342 G HA2 0.518 4.477 3.960 -0.001 0.000 0.278 342 G HA3 0.518 4.477 3.960 -0.001 0.000 0.278 342 G C -2.466 172.418 174.900 -0.027 0.000 1.389 342 G CA -0.907 44.254 45.100 0.102 0.000 1.050 342 G HN 0.548 nan 8.290 nan 0.000 0.522 343 P HA 0.184 nan 4.420 nan 0.000 0.276 343 P C -0.677 176.454 177.300 -0.282 0.000 1.261 343 P CA -0.431 62.217 63.100 -0.752 0.000 0.800 343 P CB 0.851 31.839 31.700 -1.186 0.000 1.066 344 Q N 0.020 119.740 119.800 -0.134 0.000 2.471 344 Q HA 0.055 4.395 4.340 -0.001 0.000 0.223 344 Q C 1.248 177.154 176.000 -0.156 0.000 1.045 344 Q CA -0.319 55.444 55.803 -0.067 0.000 0.956 344 Q CB 0.057 28.831 28.738 0.060 0.000 1.249 344 Q HN 0.206 nan 8.270 nan 0.000 0.549 345 V N 0.241 119.986 119.914 -0.282 0.000 2.667 345 V HA -0.146 3.974 4.120 -0.001 0.000 0.252 345 V C 0.137 175.992 176.094 -0.399 0.000 1.065 345 V CA 2.359 64.406 62.300 -0.421 0.000 1.083 345 V CB -0.121 31.162 31.823 -0.900 0.000 0.692 345 V HN 0.970 nan 8.190 nan 0.000 0.468 346 D N -3.222 116.889 120.400 -0.482 0.000 2.738 346 D HA 0.063 4.702 4.640 -0.001 0.000 0.308 346 D C 0.624 176.331 176.300 -0.988 0.000 1.311 346 D CA -0.078 53.548 54.000 -0.624 0.000 0.799 346 D CB 0.584 41.113 40.800 -0.452 0.000 1.332 346 D HN -0.058 nan 8.370 nan 0.000 0.441 347 E N -0.637 118.890 120.200 -1.123 0.000 2.110 347 E HA -0.149 4.201 4.350 -0.001 0.000 0.193 347 E C 1.151 177.574 176.600 -0.296 0.000 0.988 347 E CA 1.761 57.645 56.400 -0.860 0.000 0.804 347 E CB -0.000 29.430 29.700 -0.450 0.000 0.745 347 E HN 0.516 nan 8.360 nan 0.000 0.458 348 T N 0.931 115.344 114.554 -0.236 0.000 2.708 348 T HA -0.142 4.208 4.350 -0.001 0.000 0.266 348 T C 1.777 176.440 174.700 -0.062 0.000 1.037 348 T CA 1.047 63.082 62.100 -0.108 0.000 1.146 348 T CB -0.091 68.721 68.868 -0.093 0.000 0.865 348 T HN 0.141 nan 8.240 nan 0.000 0.435 349 Q N 0.114 119.850 119.800 -0.106 0.000 2.079 349 Q HA 0.001 4.341 4.340 -0.001 0.000 0.200 349 Q C 2.059 178.099 176.000 0.067 0.000 0.974 349 Q CA 1.081 56.884 55.803 0.000 0.000 0.840 349 Q CB -0.705 27.997 28.738 -0.060 0.000 0.898 349 Q HN 0.558 nan 8.270 nan 0.000 0.430 350 F N 2.051 121.903 119.950 -0.162 0.000 2.065 350 F HA -0.246 4.281 4.527 -0.001 0.000 0.298 350 F C 2.013 177.801 175.800 -0.020 0.000 1.112 350 F CA 1.704 59.658 58.000 -0.077 0.000 1.212 350 F CB 0.010 38.926 39.000 -0.140 0.000 0.975 350 F HN -0.023 nan 8.300 nan 0.000 0.476 351 K N 0.065 120.500 120.400 0.058 0.000 2.097 351 K HA -0.155 4.165 4.320 -0.001 0.000 0.205 351 K C 2.095 178.653 176.600 -0.071 0.000 1.050 351 K CA 1.485 57.745 56.287 -0.044 0.000 0.938 351 K CB -0.210 32.304 32.500 0.022 0.000 0.718 351 K HN 0.290 nan 8.250 nan 0.000 0.442 352 K N 0.796 121.182 120.400 -0.022 0.000 2.057 352 K HA -0.088 4.231 4.320 -0.001 0.000 0.207 352 K C 2.123 178.745 176.600 0.037 0.000 1.049 352 K CA 1.200 57.474 56.287 -0.023 0.000 0.931 352 K CB -0.135 32.410 32.500 0.076 0.000 0.714 352 K HN 0.102 nan 8.250 nan 0.000 0.440 353 I N 1.175 121.801 120.570 0.093 0.000 2.252 353 I HA -0.272 3.898 4.170 -0.001 0.000 0.245 353 I C 2.131 178.285 176.117 0.061 0.000 1.102 353 I CA 1.091 62.483 61.300 0.153 0.000 1.385 353 I CB -0.227 37.836 38.000 0.104 0.000 1.064 353 I HN 0.089 nan 8.210 nan 0.000 0.414 354 L N 0.409 121.575 121.223 -0.095 0.000 2.131 354 L HA -0.150 4.190 4.340 -0.001 0.000 0.210 354 L C 2.661 179.502 176.870 -0.049 0.000 1.092 354 L CA 1.475 56.246 54.840 -0.114 0.000 0.759 354 L CB -1.175 40.731 42.059 -0.254 0.000 0.903 354 L HN 0.339 nan 8.230 nan 0.000 0.435 355 G N -1.000 107.748 108.800 -0.085 0.000 2.421 355 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.216 355 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.216 355 G C 1.399 176.235 174.900 -0.107 0.000 1.171 355 G CA 0.585 45.606 45.100 -0.132 0.000 0.775 355 G HN 0.302 nan 8.290 nan 0.000 0.543 356 Y N 0.469 120.777 120.300 0.013 0.000 2.181 356 Y HA -0.037 4.513 4.550 -0.001 0.000 0.288 356 Y C 2.798 178.723 175.900 0.041 0.000 1.146 356 Y CA 0.646 58.758 58.100 0.019 0.000 1.164 356 Y CB -0.082 38.399 38.460 0.035 0.000 0.982 356 Y HN 0.113 nan 8.280 nan 0.000 0.515 357 I N 0.029 120.751 120.570 0.253 0.000 2.163 357 I HA -0.370 3.799 4.170 -0.001 0.000 0.243 357 I C 2.214 178.472 176.117 0.234 0.000 1.085 357 I CA 1.797 63.285 61.300 0.314 0.000 1.347 357 I CB -0.439 37.699 38.000 0.231 0.000 1.044 357 I HN 0.271 nan 8.210 nan 0.000 0.408 358 N N 0.350 119.119 118.700 0.115 0.000 2.104 358 N HA -0.177 4.562 4.740 -0.001 0.000 0.190 358 N C 1.713 177.250 175.510 0.045 0.000 1.024 358 N CA 2.019 55.112 53.050 0.071 0.000 0.853 358 N CB -0.080 38.419 38.487 0.020 0.000 1.008 358 N HN 0.183 nan 8.380 nan 0.000 0.424 359 T N -1.239 113.329 114.554 0.023 0.000 2.746 359 T HA -0.052 4.298 4.350 -0.001 0.000 0.267 359 T C 1.739 176.396 174.700 -0.070 0.000 1.039 359 T CA 1.312 63.408 62.100 -0.006 0.000 1.142 359 T CB -0.903 67.979 68.868 0.023 0.000 0.866 359 T HN 0.476 nan 8.240 nan 0.000 0.444 360 G N 1.617 110.317 108.800 -0.167 0.000 2.418 360 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.217 360 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.217 360 G C 1.615 176.332 174.900 -0.305 0.000 1.158 360 G CA 0.644 45.405 45.100 -0.565 0.000 0.771 360 G HN 0.428 nan 8.290 nan 0.000 0.545 361 K N -0.222 120.194 120.400 0.026 0.000 2.026 361 K HA -0.072 4.247 4.320 -0.001 0.000 0.208 361 K C 2.711 179.343 176.600 0.053 0.000 1.048 361 K CA 1.140 57.515 56.287 0.146 0.000 0.929 361 K CB -0.154 32.455 32.500 0.180 0.000 0.713 361 K HN 0.155 nan 8.250 nan 0.000 0.439 362 Q N 0.897 120.709 119.800 0.021 0.000 2.124 362 Q HA -0.155 4.184 4.340 -0.001 0.000 0.202 362 Q C 1.346 177.344 176.000 -0.004 0.000 0.977 362 Q CA 1.471 57.281 55.803 0.010 0.000 0.850 362 Q CB 0.038 28.778 28.738 0.003 0.000 0.901 362 Q HN 0.448 nan 8.270 nan 0.000 0.429 363 E N -0.990 119.192 120.200 -0.030 0.000 2.489 363 E HA 0.141 4.490 4.350 -0.001 0.000 0.193 363 E C 0.554 177.136 176.600 -0.030 0.000 1.057 363 E CA 0.308 56.687 56.400 -0.035 0.000 0.866 363 E CB 0.324 29.991 29.700 -0.054 0.000 0.916 363 E HN 0.465 nan 8.360 nan 0.000 0.500 364 G N 1.236 110.029 108.800 -0.012 0.000 2.132 364 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.234 364 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.234 364 G C 0.334 175.249 174.900 0.025 0.000 0.989 364 G CA -0.024 45.086 45.100 0.017 0.000 0.676 364 G HN 0.446 nan 8.290 nan 0.000 0.522 365 A N -0.192 122.618 122.820 -0.015 0.000 2.386 365 A HA 0.611 4.931 4.320 -0.001 0.000 0.248 365 A C 0.714 178.441 177.584 0.238 0.000 1.082 365 A CA 0.629 52.689 52.037 0.038 0.000 0.789 365 A CB 0.410 19.287 19.000 -0.205 0.000 1.025 365 A HN 0.629 nan 8.150 nan 0.000 0.490 366 K N 1.996 122.561 120.400 0.276 0.000 2.273 366 K HA 0.307 4.627 4.320 -0.001 0.000 0.287 366 K C -0.738 176.030 176.600 0.280 0.000 1.089 366 K CA -0.461 55.972 56.287 0.243 0.000 0.909 366 K CB 0.104 32.704 32.500 0.168 0.000 1.123 366 K HN 0.574 nan 8.250 nan 0.000 0.473 367 L N 5.995 127.346 121.223 0.214 0.000 2.477 367 L HA 0.067 4.407 4.340 -0.001 0.000 0.272 367 L C 0.115 176.939 176.870 -0.077 0.000 1.157 367 L CA 0.651 55.431 54.840 -0.099 0.000 0.889 367 L CB 0.453 42.453 42.059 -0.099 0.000 1.158 367 L HN 0.812 nan 8.230 nan 0.000 0.473 368 L N 4.803 125.948 121.223 -0.130 0.000 2.575 368 L HA 0.253 4.593 4.340 -0.001 0.000 0.228 368 L C 0.234 177.057 176.870 -0.078 0.000 1.075 368 L CA 0.151 54.953 54.840 -0.063 0.000 0.867 368 L CB 0.222 42.266 42.059 -0.026 0.000 1.097 368 L HN 0.837 nan 8.230 nan 0.000 0.485 369 C N -3.112 116.114 119.300 -0.123 0.000 3.292 369 C HA 0.767 5.226 4.460 -0.001 0.000 0.338 369 C C 0.681 175.597 174.990 -0.124 0.000 1.323 369 C CA -0.578 58.380 59.018 -0.099 0.000 1.232 369 C CB 0.836 28.533 27.740 -0.072 0.000 1.517 369 C HN 0.614 nan 8.230 nan 0.000 0.470 370 G N 0.727 109.476 108.800 -0.085 0.000 2.547 370 G HA2 0.365 4.325 3.960 -0.001 0.000 0.271 370 G HA3 0.365 4.325 3.960 -0.001 0.000 0.271 370 G C 1.220 176.069 174.900 -0.084 0.000 1.209 370 G CA 2.226 47.286 45.100 -0.068 0.000 0.959 370 G HN 3.309 nan 8.290 nan 0.000 0.563 371 G N -2.267 106.489 108.800 -0.074 0.000 2.184 371 G HA2 0.482 4.441 3.960 -0.001 0.000 0.206 371 G HA3 0.482 4.441 3.960 -0.001 0.000 0.206 371 G C 1.397 176.291 174.900 -0.010 0.000 0.995 371 G CA 0.925 45.989 45.100 -0.060 0.000 0.651 371 G HN 2.628 nan 8.290 nan 0.000 0.511 372 G N -0.640 108.158 108.800 -0.003 0.000 2.827 372 G HA2 0.757 4.716 3.960 -0.001 0.000 0.296 372 G HA3 0.757 4.716 3.960 -0.001 0.000 0.296 372 G C 0.040 174.958 174.900 0.031 0.000 1.362 372 G CA -0.287 44.816 45.100 0.005 0.000 0.809 372 G HN 1.279 nan 8.290 nan 0.000 0.522 373 I N -1.495 119.109 120.570 0.057 0.000 2.754 373 I HA 0.534 4.703 4.170 -0.001 0.000 0.285 373 I C 0.985 177.187 176.117 0.142 0.000 1.166 373 I CA 0.040 61.434 61.300 0.157 0.000 1.417 373 I CB 1.551 39.703 38.000 0.253 0.000 1.382 373 I HN 0.478 nan 8.210 nan 0.000 0.588 374 A N 4.210 127.147 122.820 0.195 0.000 2.343 374 A HA 0.793 5.113 4.320 -0.001 0.000 0.223 374 A C 0.809 178.412 177.584 0.031 0.000 1.214 374 A CA 0.482 52.584 52.037 0.107 0.000 0.900 374 A CB -0.120 18.956 19.000 0.126 0.000 0.942 374 A HN 1.127 nan 8.150 nan 0.000 0.507 375 A N -0.964 121.908 122.820 0.087 0.000 2.610 375 A HA 0.559 4.878 4.320 -0.001 0.000 0.291 375 A C -0.917 176.702 177.584 0.058 0.000 1.086 375 A CA -0.294 51.735 52.037 -0.013 0.000 0.677 375 A CB 0.362 19.244 19.000 -0.197 0.000 1.278 375 A HN -0.067 nan 8.150 nan 0.000 0.414 376 D N -0.113 120.291 120.400 0.008 0.000 2.349 376 D HA 0.114 4.754 4.640 -0.001 0.000 0.215 376 D C 0.541 176.838 176.300 -0.005 0.000 1.016 376 D CA 0.932 54.941 54.000 0.016 0.000 0.870 376 D CB 0.303 41.101 40.800 -0.004 0.000 0.917 376 D HN 0.475 nan 8.370 nan 0.000 0.524 377 R N -0.411 120.085 120.500 -0.007 0.000 2.651 377 R HA 0.493 4.833 4.340 -0.001 0.000 0.278 377 R C -0.447 175.858 176.300 0.007 0.000 1.010 377 R CA -0.210 55.858 56.100 -0.054 0.000 0.896 377 R CB 1.675 31.944 30.300 -0.052 0.000 1.211 377 R HN 0.048 nan 8.270 nan 0.000 0.456 378 G N 1.830 110.471 108.800 -0.264 0.000 2.730 378 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.686 378 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.686 378 G C -1.027 173.488 174.900 -0.642 0.000 1.343 378 G CA -0.461 44.361 45.100 -0.464 0.000 0.826 378 G HN 0.603 nan 8.290 nan 0.000 0.582 379 Y N 0.012 119.960 120.300 -0.587 0.000 2.903 379 Y HA 0.480 5.030 4.550 -0.001 0.000 0.387 379 Y C 0.781 176.547 175.900 -0.223 0.000 1.189 379 Y CA -0.552 57.140 58.100 -0.679 0.000 1.856 379 Y CB -0.120 38.006 38.460 -0.556 0.000 1.917 379 Y HN 0.336 nan 8.280 nan 0.000 0.448 380 F N 1.314 121.369 119.950 0.176 0.000 2.408 380 F HA 0.480 5.006 4.527 -0.001 0.000 0.344 380 F C 0.168 176.149 175.800 0.301 0.000 1.112 380 F CA -0.827 57.291 58.000 0.197 0.000 1.096 380 F CB 0.810 39.856 39.000 0.077 0.000 1.129 380 F HN -0.004 nan 8.300 nan 0.000 0.486 381 I N 2.691 123.486 120.570 0.374 0.000 2.509 381 I HA 0.243 4.413 4.170 -0.001 0.000 0.293 381 I C -0.443 175.774 176.117 0.166 0.000 1.020 381 I CA -1.018 60.418 61.300 0.227 0.000 1.088 381 I CB 1.911 39.997 38.000 0.144 0.000 1.267 381 I HN 0.524 nan 8.210 nan 0.000 0.430 382 Q N 5.878 125.742 119.800 0.108 0.000 2.361 382 Q HA 0.148 4.488 4.340 -0.001 0.000 0.276 382 Q C -2.277 173.764 176.000 0.069 0.000 1.022 382 Q CA -1.520 54.320 55.803 0.061 0.000 0.898 382 Q CB 0.068 28.820 28.738 0.023 0.000 1.246 382 Q HN 0.254 nan 8.270 nan 0.000 0.410 383 P HA -0.051 nan 4.420 nan 0.000 0.262 383 P C -1.081 176.274 177.300 0.091 0.000 1.199 383 P CA 0.551 63.688 63.100 0.061 0.000 0.763 383 P CB 0.556 32.081 31.700 -0.292 0.000 0.790 384 T N 3.118 117.798 114.554 0.209 0.000 2.824 384 T HA 0.452 4.801 4.350 -0.001 0.000 0.282 384 T C -0.492 174.222 174.700 0.024 0.000 0.993 384 T CA -0.415 61.691 62.100 0.009 0.000 0.967 384 T CB 1.021 69.861 68.868 -0.047 0.000 0.960 384 T HN -0.059 nan 8.240 nan 0.000 0.441 385 V N 4.031 123.878 119.914 -0.112 0.000 2.487 385 V HA 0.552 4.671 4.120 -0.001 0.000 0.298 385 V C -1.021 174.945 176.094 -0.213 0.000 1.028 385 V CA -0.888 61.385 62.300 -0.046 0.000 0.860 385 V CB 1.340 33.189 31.823 0.044 0.000 0.991 385 V HN 0.829 nan 8.190 nan 0.000 0.427 386 F N 2.431 122.409 119.950 0.047 0.000 2.436 386 F HA 0.760 5.286 4.527 -0.001 0.000 0.340 386 F C 0.928 176.763 175.800 0.057 0.000 1.113 386 F CA -0.260 57.767 58.000 0.045 0.000 1.022 386 F CB 2.006 41.023 39.000 0.028 0.000 1.128 386 F HN 0.601 nan 8.300 nan 0.000 0.466 387 G N 0.568 109.531 108.800 0.271 0.000 2.552 387 G HA2 0.364 4.324 3.960 -0.001 0.000 0.324 387 G HA3 0.364 4.324 3.960 -0.001 0.000 0.324 387 G C -0.557 174.494 174.900 0.251 0.000 1.217 387 G CA -0.682 44.571 45.100 0.256 0.000 0.989 387 G HN 0.706 nan 8.290 nan 0.000 0.490 388 D N -1.270 119.300 120.400 0.284 0.000 2.751 388 D HA -0.163 4.477 4.640 -0.001 0.000 0.233 388 D C 0.572 176.922 176.300 0.083 0.000 1.149 388 D CA 0.640 54.722 54.000 0.138 0.000 0.682 388 D CB -1.310 39.551 40.800 0.102 0.000 1.068 388 D HN 0.196 nan 8.370 nan 0.000 0.429 389 V N 0.725 120.687 119.914 0.079 0.000 2.686 389 V HA 0.058 4.177 4.120 -0.001 0.000 0.295 389 V C 0.847 176.936 176.094 -0.007 0.000 1.055 389 V CA 0.157 62.464 62.300 0.011 0.000 1.050 389 V CB 1.708 33.521 31.823 -0.016 0.000 0.984 389 V HN 0.053 nan 8.190 nan 0.000 0.482 390 Q N 1.942 121.734 119.800 -0.014 0.000 2.348 390 Q HA 0.351 4.691 4.340 -0.001 0.000 0.271 390 Q C 0.330 176.334 176.000 0.007 0.000 1.067 390 Q CA -0.767 55.039 55.803 0.006 0.000 0.839 390 Q CB 1.636 30.380 28.738 0.009 0.000 1.354 390 Q HN 0.651 nan 8.270 nan 0.000 0.447 391 D N 1.055 121.481 120.400 0.043 0.000 2.178 391 D HA -0.096 4.544 4.640 -0.001 0.000 0.201 391 D C 1.412 177.734 176.300 0.037 0.000 0.980 391 D CA 1.455 55.491 54.000 0.060 0.000 0.842 391 D CB 0.029 40.890 40.800 0.103 0.000 0.948 391 D HN 0.811 nan 8.370 nan 0.000 0.472 392 G N -0.368 108.447 108.800 0.025 0.000 2.920 392 G HA2 0.029 3.989 3.960 -0.001 0.000 0.208 392 G HA3 0.029 3.989 3.960 -0.001 0.000 0.208 392 G C 0.704 175.607 174.900 0.005 0.000 1.159 392 G CA -0.232 44.878 45.100 0.017 0.000 0.784 392 G HN 0.150 nan 8.290 nan 0.000 0.535 393 M N 0.500 120.094 119.600 -0.010 0.000 2.243 393 M HA 0.146 4.626 4.480 -0.001 0.000 0.341 393 M C 1.853 178.140 176.300 -0.021 0.000 1.130 393 M CA -0.119 55.162 55.300 -0.031 0.000 1.162 393 M CB 1.038 33.596 32.600 -0.070 0.000 1.497 393 M HN -0.054 nan 8.290 nan 0.000 0.456 394 T N 2.457 117.006 114.554 -0.009 0.000 2.720 394 T HA -0.142 4.208 4.350 -0.001 0.000 0.268 394 T C 1.530 176.232 174.700 0.003 0.000 1.037 394 T CA 1.821 63.943 62.100 0.036 0.000 1.144 394 T CB -0.476 68.444 68.868 0.086 0.000 0.864 394 T HN 0.767 nan 8.240 nan 0.000 0.444 395 I N -0.239 120.293 120.570 -0.063 0.000 2.916 395 I HA 0.159 4.329 4.170 -0.001 0.000 0.267 395 I C 2.304 178.350 176.117 -0.117 0.000 1.263 395 I CA 0.907 62.128 61.300 -0.131 0.000 1.471 395 I CB -0.423 37.446 38.000 -0.219 0.000 1.089 395 I HN 0.083 nan 8.210 nan 0.000 0.468 396 A N 1.012 123.785 122.820 -0.079 0.000 2.218 396 A HA 0.140 4.460 4.320 -0.001 0.000 0.209 396 A C 2.167 179.750 177.584 -0.002 0.000 1.168 396 A CA 0.410 52.414 52.037 -0.054 0.000 0.804 396 A CB -0.124 18.848 19.000 -0.046 0.000 0.834 396 A HN 0.476 nan 8.150 nan 0.000 0.482 397 K N -0.474 119.932 120.400 0.011 0.000 2.380 397 K HA 0.157 4.477 4.320 -0.001 0.000 0.200 397 K C -0.086 176.577 176.600 0.106 0.000 1.201 397 K CA 0.195 56.521 56.287 0.065 0.000 0.916 397 K CB 0.495 33.029 32.500 0.056 0.000 1.187 397 K HN 0.395 nan 8.250 nan 0.000 0.498 398 E N 2.017 122.242 120.200 0.042 0.000 2.231 398 E HA 0.074 4.423 4.350 -0.001 0.000 0.277 398 E C -0.923 175.610 176.600 -0.113 0.000 0.999 398 E CA -0.309 56.122 56.400 0.050 0.000 0.827 398 E CB 1.618 31.374 29.700 0.093 0.000 1.101 398 E HN 0.088 nan 8.360 nan 0.000 0.393 399 E N 3.058 123.245 120.200 -0.022 0.000 2.328 399 E HA -0.026 4.324 4.350 -0.001 0.000 0.265 399 E C 0.230 176.707 176.600 -0.205 0.000 1.057 399 E CA 0.038 56.373 56.400 -0.108 0.000 0.916 399 E CB 0.405 30.047 29.700 -0.097 0.000 0.993 399 E HN 0.524 nan 8.360 nan 0.000 0.446 400 I N 4.401 124.820 120.570 -0.252 0.000 2.585 400 I HA -0.034 4.135 4.170 -0.001 0.000 0.254 400 I C 0.482 176.688 176.117 0.148 0.000 1.129 400 I CA 0.028 61.158 61.300 -0.284 0.000 1.455 400 I CB 0.124 37.952 38.000 -0.287 0.000 1.111 400 I HN 0.693 nan 8.210 nan 0.000 0.433 401 F N 1.555 121.463 119.950 -0.069 0.000 3.058 401 F HA -0.175 4.352 4.527 -0.001 0.000 0.295 401 F C 0.359 176.182 175.800 0.038 0.000 0.875 401 F CA 0.605 58.605 58.000 0.000 0.000 1.150 401 F CB -1.308 37.734 39.000 0.069 0.000 1.175 401 F HN 0.163 nan 8.300 nan 0.000 0.599 402 G N -0.699 108.103 108.800 0.003 0.000 2.721 402 G HA2 0.637 4.597 3.960 -0.001 0.000 0.296 402 G HA3 0.637 4.597 3.960 -0.001 0.000 0.296 402 G C -3.102 171.757 174.900 -0.067 0.000 1.383 402 G CA -0.612 44.484 45.100 -0.007 0.000 0.788 402 G HN -0.149 nan 8.290 nan 0.000 0.500 403 P HA 0.340 nan 4.420 nan 0.000 0.225 403 P C -0.722 176.613 177.300 0.059 0.000 1.813 403 P CA -0.140 62.998 63.100 0.063 0.000 1.013 403 P CB 0.369 32.248 31.700 0.299 0.000 1.961 404 V N 3.573 123.410 119.914 -0.128 0.000 2.462 404 V HA 0.347 4.467 4.120 -0.001 0.000 0.288 404 V C 0.125 176.140 176.094 -0.132 0.000 1.020 404 V CA -0.578 61.711 62.300 -0.018 0.000 0.857 404 V CB 2.034 33.921 31.823 0.106 0.000 1.013 404 V HN 0.332 nan 8.190 nan 0.000 0.431 405 M N 4.018 123.546 119.600 -0.120 0.000 2.264 405 M HA 0.632 5.111 4.480 -0.001 0.000 0.352 405 M C -0.902 175.423 176.300 0.041 0.000 1.173 405 M CA -0.358 54.848 55.300 -0.157 0.000 1.075 405 M CB 1.593 34.088 32.600 -0.175 0.000 1.621 405 M HN 0.616 nan 8.290 nan 0.000 0.457 406 Q N 5.018 124.816 119.800 -0.004 0.000 2.333 406 Q HA 0.598 4.937 4.340 -0.001 0.000 0.265 406 Q C -1.281 174.714 176.000 -0.009 0.000 0.989 406 Q CA -0.010 55.809 55.803 0.027 0.000 0.842 406 Q CB 1.840 30.545 28.738 -0.055 0.000 1.262 406 Q HN 0.702 nan 8.270 nan 0.000 0.451 407 I N 3.723 124.329 120.570 0.060 0.000 2.378 407 I HA 0.437 4.607 4.170 -0.001 0.000 0.291 407 I C -0.913 175.276 176.117 0.121 0.000 0.992 407 I CA -0.929 60.415 61.300 0.074 0.000 1.154 407 I CB 0.999 39.070 38.000 0.119 0.000 1.315 407 I HN 0.321 nan 8.210 nan 0.000 0.448 408 L N 6.377 127.619 121.223 0.033 0.000 2.362 408 L HA 0.518 4.857 4.340 -0.001 0.000 0.271 408 L C -0.181 176.827 176.870 0.230 0.000 1.002 408 L CA -0.459 54.394 54.840 0.021 0.000 0.818 408 L CB 1.769 43.623 42.059 -0.343 0.000 1.298 408 L HN 0.466 nan 8.230 nan 0.000 0.420 409 K N 2.309 122.799 120.400 0.150 0.000 2.138 409 K HA 0.714 5.033 4.320 -0.001 0.000 0.263 409 K C -1.319 175.435 176.600 0.256 0.000 0.965 409 K CA -0.471 55.863 56.287 0.077 0.000 0.868 409 K CB 1.154 33.413 32.500 -0.400 0.000 1.083 409 K HN 0.517 nan 8.250 nan 0.000 0.443 410 F N 0.769 120.785 119.950 0.110 0.000 2.643 410 F HA 0.460 4.987 4.527 -0.001 0.000 0.314 410 F C 0.268 176.094 175.800 0.044 0.000 1.096 410 F CA -0.963 57.092 58.000 0.093 0.000 0.953 410 F CB 1.551 40.626 39.000 0.126 0.000 1.345 410 F HN 0.478 nan 8.300 nan 0.000 0.468 411 K N -0.136 120.316 120.400 0.087 0.000 2.273 411 K HA 0.198 4.517 4.320 -0.001 0.000 0.206 411 K C 0.187 176.833 176.600 0.076 0.000 1.072 411 K CA 1.096 57.358 56.287 -0.041 0.000 0.953 411 K CB 0.275 32.781 32.500 0.010 0.000 1.043 411 K HN 0.904 nan 8.250 nan 0.000 0.477 412 T N -2.097 112.612 114.554 0.259 0.000 2.940 412 T HA 0.274 4.624 4.350 -0.001 0.000 0.288 412 T C 1.136 175.994 174.700 0.264 0.000 1.033 412 T CA -0.842 61.378 62.100 0.200 0.000 1.033 412 T CB 1.536 70.457 68.868 0.090 0.000 1.079 412 T HN 0.158 nan 8.240 nan 0.000 0.496 413 I N 0.513 121.159 120.570 0.126 0.000 2.286 413 I HA -0.126 4.044 4.170 -0.001 0.000 0.248 413 I C 2.171 178.294 176.117 0.010 0.000 1.115 413 I CA 1.572 62.883 61.300 0.018 0.000 1.392 413 I CB -0.029 37.876 38.000 -0.158 0.000 1.065 413 I HN 0.783 nan 8.210 nan 0.000 0.418 414 E N 0.585 120.805 120.200 0.033 0.000 2.077 414 E HA -0.291 4.059 4.350 -0.001 0.000 0.193 414 E C 1.964 178.578 176.600 0.024 0.000 0.989 414 E CA 1.456 57.905 56.400 0.082 0.000 0.800 414 E CB -0.264 29.482 29.700 0.076 0.000 0.746 414 E HN 0.548 nan 8.360 nan 0.000 0.452 415 E N 0.591 120.805 120.200 0.022 0.000 2.051 415 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 415 E C 2.103 178.629 176.600 -0.123 0.000 0.991 415 E CA 1.273 57.673 56.400 0.000 0.000 0.799 415 E CB -0.073 29.674 29.700 0.079 0.000 0.748 415 E HN 0.185 nan 8.360 nan 0.000 0.449 416 V N 0.438 120.199 119.914 -0.256 0.000 2.515 416 V HA -0.175 3.944 4.120 -0.001 0.000 0.250 416 V C 2.341 178.127 176.094 -0.513 0.000 1.058 416 V CA 1.275 63.185 62.300 -0.651 0.000 1.064 416 V CB 0.068 31.093 31.823 -1.330 0.000 0.675 416 V HN 0.233 nan 8.190 nan 0.000 0.461 417 V N 0.778 120.535 119.914 -0.262 0.000 2.287 417 V HA -0.202 3.917 4.120 -0.001 0.000 0.248 417 V C 2.672 178.663 176.094 -0.171 0.000 1.053 417 V CA 2.321 64.517 62.300 -0.174 0.000 1.027 417 V CB -1.426 30.372 31.823 -0.043 0.000 0.646 417 V HN 0.635 nan 8.190 nan 0.000 0.447 418 G N -0.590 108.133 108.800 -0.129 0.000 2.418 418 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.217 418 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.217 418 G C 1.761 176.597 174.900 -0.107 0.000 1.158 418 G CA 0.671 45.717 45.100 -0.090 0.000 0.771 418 G HN 0.446 nan 8.290 nan 0.000 0.545 419 R N 0.374 120.769 120.500 -0.175 0.000 2.073 419 R HA 0.151 4.491 4.340 -0.001 0.000 0.229 419 R C 3.032 179.237 176.300 -0.158 0.000 1.120 419 R CA 0.952 56.971 56.100 -0.134 0.000 0.967 419 R CB -0.328 29.880 30.300 -0.154 0.000 0.862 419 R HN 0.325 nan 8.270 nan 0.000 0.436 420 A N 1.586 124.168 122.820 -0.397 0.000 1.902 420 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 420 A C 1.628 179.171 177.584 -0.068 0.000 1.181 420 A CA 1.541 53.431 52.037 -0.245 0.000 0.623 420 A CB -0.338 18.456 19.000 -0.343 0.000 0.818 420 A HN 0.221 nan 8.150 nan 0.000 0.443 421 N N -0.166 118.479 118.700 -0.091 0.000 2.463 421 N HA -0.042 4.697 4.740 -0.001 0.000 0.181 421 N C 0.399 175.902 175.510 -0.012 0.000 1.078 421 N CA 0.215 53.235 53.050 -0.051 0.000 0.902 421 N CB -0.563 37.882 38.487 -0.069 0.000 0.970 421 N HN 0.649 nan 8.380 nan 0.000 0.451 422 N N 0.860 119.560 118.700 -0.000 0.000 3.050 422 N HA 0.042 4.781 4.740 -0.001 0.000 0.289 422 N C -1.083 174.452 175.510 0.043 0.000 1.209 422 N CA 0.001 53.061 53.050 0.018 0.000 1.154 422 N CB 0.100 38.600 38.487 0.022 0.000 1.444 422 N HN -0.096 nan 8.380 nan 0.000 0.529 423 S N -0.042 115.681 115.700 0.038 0.000 2.537 423 S HA 0.143 4.613 4.470 -0.001 0.000 0.271 423 S C 0.795 175.401 174.600 0.011 0.000 1.148 423 S CA -0.660 57.572 58.200 0.054 0.000 0.868 423 S CB 1.294 64.568 63.200 0.124 0.000 1.115 423 S HN 0.433 nan 8.310 nan 0.000 0.461 424 T N 0.841 115.355 114.554 -0.066 0.000 3.148 424 T HA 0.278 4.627 4.350 -0.001 0.000 0.253 424 T C 0.375 174.990 174.700 -0.143 0.000 1.134 424 T CA 0.362 62.385 62.100 -0.129 0.000 1.051 424 T CB -0.539 68.204 68.868 -0.209 0.000 0.959 424 T HN 0.540 nan 8.240 nan 0.000 0.525 425 Y N 0.422 120.742 120.300 0.033 0.000 2.354 425 Y HA 0.569 5.118 4.550 -0.001 0.000 0.322 425 Y C 1.321 177.237 175.900 0.026 0.000 1.253 425 Y CA -0.796 57.326 58.100 0.037 0.000 1.272 425 Y CB 1.630 40.117 38.460 0.046 0.000 1.255 425 Y HN 0.132 nan 8.280 nan 0.000 0.500 426 G N 1.346 110.277 108.800 0.217 0.000 5.528 426 G HA2 0.099 4.058 3.960 -0.001 0.000 0.194 426 G HA3 0.099 4.058 3.960 -0.001 0.000 0.194 426 G C -0.163 174.732 174.900 -0.009 0.000 0.679 426 G CA -0.234 44.907 45.100 0.069 0.000 0.640 426 G HN 0.558 nan 8.290 nan 0.000 0.397 427 L N 0.525 121.745 121.223 -0.004 0.000 2.102 427 L HA 0.765 5.105 4.340 -0.001 0.000 0.202 427 L C 1.095 177.832 176.870 -0.222 0.000 1.076 427 L CA 2.054 56.828 54.840 -0.109 0.000 0.761 427 L CB 0.065 42.108 42.059 -0.026 0.000 0.921 427 L HN 0.416 nan 8.230 nan 0.000 0.444 428 A N -1.985 120.764 122.820 -0.119 0.000 2.588 428 A HA 0.902 5.221 4.320 -0.001 0.000 0.290 428 A C -1.417 176.128 177.584 -0.066 0.000 1.136 428 A CA -0.099 51.817 52.037 -0.201 0.000 0.681 428 A CB 0.908 19.856 19.000 -0.086 0.000 1.282 428 A HN 0.478 nan 8.150 nan 0.000 0.421 429 A N -1.184 121.580 122.820 -0.093 0.000 2.586 429 A HA 1.018 5.338 4.320 -0.001 0.000 0.290 429 A C -0.687 176.996 177.584 0.165 0.000 1.086 429 A CA 0.079 52.172 52.037 0.094 0.000 0.665 429 A CB 0.576 19.567 19.000 -0.015 0.000 1.279 429 A HN 2.693 nan 8.150 nan 0.000 0.423 430 A N -0.469 122.557 122.820 0.343 0.000 2.587 430 A HA 0.797 5.117 4.320 -0.001 0.000 0.293 430 A C -1.507 176.288 177.584 0.350 0.000 1.087 430 A CA -0.458 51.822 52.037 0.404 0.000 0.692 430 A CB 1.507 20.969 19.000 0.770 0.000 1.291 430 A HN 1.794 nan 8.150 nan 0.000 0.407 431 V N 0.783 120.844 119.914 0.245 0.000 2.638 431 V HA 0.576 4.696 4.120 -0.001 0.000 0.306 431 V C -1.518 174.649 176.094 0.122 0.000 1.052 431 V CA -0.300 62.135 62.300 0.225 0.000 0.885 431 V CB 1.448 33.337 31.823 0.110 0.000 0.999 431 V HN 0.698 nan 8.190 nan 0.000 0.424 432 F N 2.561 122.626 119.950 0.191 0.000 2.402 432 F HA 0.776 5.303 4.527 -0.001 0.000 0.355 432 F C 0.367 176.273 175.800 0.176 0.000 1.123 432 F CA -0.216 57.909 58.000 0.208 0.000 1.021 432 F CB 2.032 41.168 39.000 0.225 0.000 1.160 432 F HN 0.535 nan 8.300 nan 0.000 0.451 433 T N 2.151 116.837 114.554 0.220 0.000 2.893 433 T HA 0.250 4.599 4.350 -0.001 0.000 0.337 433 T C 0.088 174.858 174.700 0.117 0.000 1.587 433 T CA -0.714 61.487 62.100 0.169 0.000 1.066 433 T CB 1.350 70.296 68.868 0.131 0.000 1.414 433 T HN 0.655 nan 8.240 nan 0.000 0.488 434 K N 0.951 121.412 120.400 0.101 0.000 2.393 434 K HA 0.164 4.484 4.320 -0.001 0.000 0.193 434 K C -0.164 176.465 176.600 0.048 0.000 1.026 434 K CA 0.026 56.354 56.287 0.068 0.000 1.064 434 K CB 0.222 32.760 32.500 0.064 0.000 0.833 434 K HN 0.483 nan 8.250 nan 0.000 0.521 435 D N 0.826 121.256 120.400 0.051 0.000 2.280 435 D HA 0.030 4.670 4.640 -0.001 0.000 0.243 435 D C 0.831 177.151 176.300 0.034 0.000 1.129 435 D CA -0.323 53.699 54.000 0.037 0.000 0.848 435 D CB 1.119 41.940 40.800 0.034 0.000 1.107 435 D HN -0.178 nan 8.370 nan 0.000 0.471 436 L N 4.155 125.394 121.223 0.027 0.000 1.990 436 L HA -0.170 4.170 4.340 -0.001 0.000 0.213 436 L C 1.229 178.121 176.870 0.035 0.000 1.072 436 L CA 2.035 56.891 54.840 0.027 0.000 0.755 436 L CB -0.434 41.637 42.059 0.021 0.000 0.889 436 L HN 0.520 nan 8.230 nan 0.000 0.432 437 D N -0.506 119.915 120.400 0.035 0.000 2.117 437 D HA -0.158 4.482 4.640 -0.001 0.000 0.198 437 D C 2.208 178.547 176.300 0.065 0.000 0.982 437 D CA 1.264 55.293 54.000 0.048 0.000 0.828 437 D CB -0.079 40.741 40.800 0.034 0.000 0.967 437 D HN 0.407 nan 8.370 nan 0.000 0.464 438 K N 0.590 121.011 120.400 0.034 0.000 2.097 438 K HA -0.039 4.281 4.320 -0.001 0.000 0.206 438 K C 2.106 178.761 176.600 0.091 0.000 1.049 438 K CA 1.105 57.411 56.287 0.032 0.000 0.933 438 K CB -0.049 32.462 32.500 0.019 0.000 0.717 438 K HN 0.024 nan 8.250 nan 0.000 0.442 439 A N 1.744 124.606 122.820 0.070 0.000 1.877 439 A HA -0.203 4.117 4.320 -0.001 0.000 0.216 439 A C 1.753 179.374 177.584 0.062 0.000 1.186 439 A CA 1.798 53.871 52.037 0.059 0.000 0.620 439 A CB -0.693 18.328 19.000 0.034 0.000 0.822 439 A HN 0.351 nan 8.150 nan 0.000 0.443 440 N N -2.129 116.610 118.700 0.066 0.000 2.188 440 N HA -0.154 4.586 4.740 -0.001 0.000 0.184 440 N C 1.709 177.268 175.510 0.082 0.000 1.018 440 N CA 1.365 54.448 53.050 0.054 0.000 0.858 440 N CB -0.303 38.211 38.487 0.046 0.000 0.989 440 N HN 0.660 nan 8.380 nan 0.000 0.426 441 Y N 1.502 121.793 120.300 -0.014 0.000 2.145 441 Y HA -0.150 4.400 4.550 -0.001 0.000 0.286 441 Y C 1.885 177.765 175.900 -0.035 0.000 1.145 441 Y CA 1.361 59.449 58.100 -0.020 0.000 1.148 441 Y CB -0.122 38.332 38.460 -0.011 0.000 0.981 441 Y HN -0.005 nan 8.280 nan 0.000 0.507 442 L N -0.300 121.067 121.223 0.240 0.000 2.072 442 L HA -0.170 4.170 4.340 -0.001 0.000 0.205 442 L C 2.762 179.620 176.870 -0.020 0.000 1.079 442 L CA 1.332 56.240 54.840 0.114 0.000 0.752 442 L CB -0.714 41.417 42.059 0.120 0.000 0.906 442 L HN 0.348 nan 8.230 nan 0.000 0.436 443 S N -0.792 114.897 115.700 -0.019 0.000 2.399 443 S HA -0.294 4.176 4.470 -0.001 0.000 0.231 443 S C 1.908 176.447 174.600 -0.102 0.000 1.022 443 S CA 1.342 59.500 58.200 -0.070 0.000 0.983 443 S CB -0.400 62.764 63.200 -0.060 0.000 0.803 443 S HN 0.505 nan 8.310 nan 0.000 0.480 444 Q N 1.286 121.027 119.800 -0.098 0.000 2.083 444 Q HA 0.047 4.387 4.340 -0.001 0.000 0.198 444 Q C 2.207 178.114 176.000 -0.155 0.000 0.969 444 Q CA 1.274 57.006 55.803 -0.119 0.000 0.838 444 Q CB -0.494 28.172 28.738 -0.119 0.000 0.900 444 Q HN 0.709 nan 8.270 nan 0.000 0.436 445 A N 0.440 123.138 122.820 -0.204 0.000 2.016 445 A HA 0.127 4.446 4.320 -0.001 0.000 0.217 445 A C 0.884 178.363 177.584 -0.175 0.000 1.162 445 A CA 0.045 51.946 52.037 -0.226 0.000 0.662 445 A CB -0.199 18.599 19.000 -0.337 0.000 0.812 445 A HN 0.355 nan 8.150 nan 0.000 0.450 446 L N 0.858 121.979 121.223 -0.171 0.000 2.410 446 L HA 0.088 4.428 4.340 -0.001 0.000 0.273 446 L C 0.096 176.802 176.870 -0.274 0.000 1.152 446 L CA -0.134 54.593 54.840 -0.190 0.000 0.855 446 L CB 0.685 42.641 42.059 -0.171 0.000 1.129 446 L HN 0.372 nan 8.230 nan 0.000 0.463 447 Q N 3.705 123.342 119.800 -0.273 0.000 2.835 447 Q HA 0.530 4.870 4.340 -0.001 0.000 0.235 447 Q C -0.490 175.101 176.000 -0.682 0.000 1.313 447 Q CA -0.260 55.301 55.803 -0.404 0.000 1.053 447 Q CB 0.831 29.504 28.738 -0.108 0.000 1.443 447 Q HN 0.672 nan 8.270 nan 0.000 0.576 448 A N -0.238 121.952 122.820 -1.051 0.000 2.549 448 A HA 0.670 4.989 4.320 -0.001 0.000 0.297 448 A C 0.804 177.857 177.584 -0.885 0.000 1.061 448 A CA -0.449 51.110 52.037 -0.797 0.000 0.690 448 A CB 1.165 19.916 19.000 -0.416 0.000 1.287 448 A HN 0.535 nan 8.150 nan 0.000 0.402 449 G N -0.004 108.519 108.800 -0.461 0.000 2.422 449 G HA2 0.291 4.250 3.960 -0.001 0.000 0.218 449 G HA3 0.291 4.250 3.960 -0.001 0.000 0.218 449 G C 0.500 175.174 174.900 -0.376 0.000 1.140 449 G CA 1.639 46.598 45.100 -0.235 0.000 0.775 449 G HN 0.822 nan 8.290 nan 0.000 0.545 450 T N -0.111 114.126 114.554 -0.528 0.000 2.879 450 T HA 0.503 4.853 4.350 -0.001 0.000 0.290 450 T C -1.044 173.203 174.700 -0.756 0.000 0.993 450 T CA -0.394 61.285 62.100 -0.702 0.000 0.975 450 T CB 2.656 70.932 68.868 -0.987 0.000 0.981 450 T HN -0.109 nan 8.240 nan 0.000 0.439 451 V N 4.005 123.544 119.914 -0.624 0.000 2.378 451 V HA 0.411 4.531 4.120 -0.001 0.000 0.288 451 V C -0.546 175.295 176.094 -0.422 0.000 1.016 451 V CA -1.046 60.986 62.300 -0.447 0.000 0.840 451 V CB 1.051 32.721 31.823 -0.255 0.000 0.994 451 V HN 0.764 nan 8.190 nan 0.000 0.431 452 W N 3.598 124.797 121.300 -0.169 0.000 2.316 452 W HA 0.597 5.257 4.660 -0.001 0.000 0.321 452 W C -0.497 175.939 176.519 -0.139 0.000 1.203 452 W CA -0.629 56.618 57.345 -0.164 0.000 1.214 452 W CB 1.773 31.103 29.460 -0.217 0.000 1.169 452 W HN 0.264 nan 8.180 nan 0.000 0.561 453 V N 4.711 124.665 119.914 0.068 0.000 2.378 453 V HA 0.121 4.240 4.120 -0.001 0.000 0.288 453 V C 0.209 176.188 176.094 -0.192 0.000 1.016 453 V CA -0.938 61.316 62.300 -0.076 0.000 0.840 453 V CB 1.099 32.900 31.823 -0.037 0.000 0.994 453 V HN 0.670 nan 8.190 nan 0.000 0.431 454 N N 2.031 120.374 118.700 -0.595 0.000 2.714 454 N HA -0.179 4.561 4.740 -0.001 0.000 0.250 454 N C -0.221 175.189 175.510 -0.165 0.000 1.117 454 N CA 1.326 53.971 53.050 -0.675 0.000 0.719 454 N CB -1.111 37.316 38.487 -0.100 0.000 1.081 454 N HN 1.044 nan 8.380 nan 0.000 0.557 455 C N -4.200 114.960 119.300 -0.234 0.000 3.272 455 C HA 0.822 5.282 4.460 -0.001 0.000 0.363 455 C C -1.024 174.071 174.990 0.176 0.000 1.514 455 C CA -1.317 57.797 59.018 0.160 0.000 1.185 455 C CB 1.845 29.661 27.740 0.126 0.000 1.716 455 C HN 0.260 nan 8.230 nan 0.000 0.440 456 Y N -0.166 119.992 120.300 -0.235 0.000 2.558 456 Y HA 0.462 5.012 4.550 -0.001 0.000 0.333 456 Y C -0.482 174.823 175.900 -0.991 0.000 1.125 456 Y CA 0.404 58.146 58.100 -0.598 0.000 1.039 456 Y CB 1.327 39.745 38.460 -0.069 0.000 1.331 456 Y HN 1.016 nan 8.280 nan 0.000 0.456 457 D N 1.960 121.147 120.400 -2.022 0.000 2.772 457 D HA -0.134 4.505 4.640 -0.001 0.000 0.233 457 D C -1.042 174.986 176.300 -0.453 0.000 1.143 457 D CA 0.931 54.424 54.000 -0.845 0.000 0.700 457 D CB -1.001 39.850 40.800 0.085 0.000 1.076 457 D HN 0.161 nan 8.370 nan 0.000 0.430 458 V N 1.424 120.845 119.914 -0.822 0.000 2.320 458 V HA 0.336 4.456 4.120 -0.001 0.000 0.265 458 V C 0.462 176.570 176.094 0.024 0.000 1.048 458 V CA -0.302 61.896 62.300 -0.170 0.000 0.865 458 V CB 0.152 31.913 31.823 -0.103 0.000 1.043 458 V HN -0.004 nan 8.190 nan 0.000 0.474 459 F N 2.486 122.500 119.950 0.106 0.000 2.458 459 F HA 0.830 5.357 4.527 -0.001 0.000 0.330 459 F C 0.792 176.612 175.800 0.034 0.000 1.082 459 F CA -0.401 57.662 58.000 0.106 0.000 0.995 459 F CB 2.229 41.269 39.000 0.067 0.000 1.170 459 F HN 0.503 nan 8.300 nan 0.000 0.478 460 G N 0.208 109.101 108.800 0.154 0.000 2.682 460 G HA2 0.507 4.467 3.960 -0.001 0.000 0.300 460 G HA3 0.507 4.467 3.960 -0.001 0.000 0.300 460 G C -0.019 174.810 174.900 -0.118 0.000 1.391 460 G CA -0.352 44.757 45.100 0.016 0.000 0.990 460 G HN 0.866 nan 8.290 nan 0.000 0.501 461 A N 0.831 123.508 122.820 -0.238 0.000 2.131 461 A HA -0.042 4.278 4.320 -0.001 0.000 0.220 461 A C 2.052 179.055 177.584 -0.968 0.000 1.158 461 A CA 1.784 53.513 52.037 -0.514 0.000 0.665 461 A CB -0.102 18.595 19.000 -0.505 0.000 0.795 461 A HN 0.574 nan 8.150 nan 0.000 0.460 462 Q N -0.221 119.159 119.800 -0.701 0.000 2.331 462 Q HA 0.160 4.500 4.340 -0.001 0.000 0.203 462 Q C 0.233 176.157 176.000 -0.126 0.000 0.944 462 Q CA 0.665 56.170 55.803 -0.496 0.000 0.892 462 Q CB 0.219 28.849 28.738 -0.181 0.000 0.983 462 Q HN 0.449 nan 8.270 nan 0.000 0.482 463 S N 2.046 117.683 115.700 -0.105 0.000 2.449 463 S HA 0.430 4.899 4.470 -0.001 0.000 0.310 463 S C -2.491 172.098 174.600 -0.019 0.000 1.096 463 S CA -1.412 56.778 58.200 -0.016 0.000 1.095 463 S CB 1.369 64.553 63.200 -0.027 0.000 1.007 463 S HN 0.037 nan 8.310 nan 0.000 0.474 464 P HA 0.336 nan 4.420 nan 0.000 0.272 464 P C -1.001 176.297 177.300 -0.004 0.000 1.230 464 P CA -0.310 62.770 63.100 -0.034 0.000 0.788 464 P CB 0.439 32.003 31.700 -0.226 0.000 0.949 465 F N 0.258 120.121 119.950 -0.145 0.000 2.581 465 F HA 0.650 5.177 4.527 -0.001 0.000 0.311 465 F C -0.375 175.415 175.800 -0.018 0.000 1.113 465 F CA 0.286 58.237 58.000 -0.082 0.000 0.935 465 F CB 2.018 41.032 39.000 0.022 0.000 1.232 465 F HN 0.706 nan 8.300 nan 0.000 0.445 466 G N 2.225 110.656 108.800 -0.614 0.000 2.315 466 G HA2 0.451 4.410 3.960 -0.001 0.000 0.294 466 G HA3 0.451 4.410 3.960 -0.001 0.000 0.294 466 G C -1.470 173.242 174.900 -0.313 0.000 1.300 466 G CA -0.233 44.641 45.100 -0.377 0.000 0.843 466 G HN 1.039 nan 8.290 nan 0.000 0.527 467 G N -1.312 107.413 108.800 -0.125 0.000 2.412 467 G HA2 0.597 4.557 3.960 -0.001 0.000 0.318 467 G HA3 0.597 4.557 3.960 -0.001 0.000 0.318 467 G C -0.998 173.965 174.900 0.105 0.000 1.146 467 G CA -0.390 44.700 45.100 -0.017 0.000 0.882 467 G HN 0.446 nan 8.290 nan 0.000 0.501 468 Y N 0.647 120.889 120.300 -0.098 0.000 2.334 468 Y HA 0.375 4.925 4.550 -0.001 0.000 0.325 468 Y C 1.521 177.405 175.900 -0.027 0.000 1.308 468 Y CA -0.621 57.439 58.100 -0.067 0.000 1.389 468 Y CB 1.032 39.449 38.460 -0.072 0.000 1.328 468 Y HN 0.835 nan 8.280 nan 0.000 0.532 469 K N -0.479 119.988 120.400 0.111 0.000 1.867 469 K HA -0.320 4.000 4.320 -0.001 0.000 0.140 469 K C 0.607 177.232 176.600 0.041 0.000 1.408 469 K CA 1.927 58.248 56.287 0.058 0.000 0.461 469 K CB -1.060 31.483 32.500 0.073 0.000 0.594 469 K HN 0.648 nan 8.250 nan 0.000 0.888 470 M N 1.009 120.627 119.600 0.029 0.000 2.530 470 M HA 0.044 4.524 4.480 -0.001 0.000 0.231 470 M C 0.819 177.201 176.300 0.136 0.000 1.180 470 M CA 0.448 55.761 55.300 0.022 0.000 0.985 470 M CB 0.304 32.853 32.600 -0.084 0.000 1.623 470 M HN 0.308 nan 8.290 nan 0.000 0.475 471 S N 0.537 116.353 115.700 0.195 0.000 2.603 471 S HA 0.302 4.771 4.470 -0.001 0.000 0.220 471 S C 0.901 175.579 174.600 0.130 0.000 0.967 471 S CA 0.454 58.787 58.200 0.221 0.000 0.920 471 S CB 0.172 63.481 63.200 0.182 0.000 0.773 471 S HN 0.767 nan 8.310 nan 0.000 0.529 472 G N 0.678 109.535 108.800 0.096 0.000 2.359 472 G HA2 0.281 4.241 3.960 -0.001 0.000 0.303 472 G HA3 0.281 4.241 3.960 -0.001 0.000 0.303 472 G C -1.173 173.744 174.900 0.028 0.000 1.293 472 G CA -0.417 44.729 45.100 0.076 0.000 0.964 472 G HN 0.669 nan 8.290 nan 0.000 0.531 473 S N -1.122 114.590 115.700 0.021 0.000 2.546 473 S HA 1.000 5.470 4.470 -0.001 0.000 0.274 473 S C 0.439 175.032 174.600 -0.012 0.000 1.121 473 S CA 0.539 58.728 58.200 -0.017 0.000 0.887 473 S CB 1.587 64.772 63.200 -0.024 0.000 1.094 473 S HN 3.018 nan 8.310 nan 0.000 0.474 474 G N 1.730 110.508 108.800 -0.037 0.000 2.828 474 G HA2 0.068 4.027 3.960 -0.001 0.000 0.463 474 G HA3 0.068 4.027 3.960 -0.001 0.000 0.463 474 G C -1.331 173.560 174.900 -0.015 0.000 1.394 474 G CA -0.921 44.164 45.100 -0.025 0.000 0.862 474 G HN 0.845 nan 8.290 nan 0.000 0.540 475 R N 0.307 120.813 120.500 0.010 0.000 2.744 475 R HA 0.562 4.902 4.340 -0.001 0.000 0.279 475 R C -0.144 176.203 176.300 0.077 0.000 0.977 475 R CA -0.723 55.388 56.100 0.018 0.000 0.906 475 R CB 1.853 32.128 30.300 -0.041 0.000 1.197 475 R HN 0.766 nan 8.270 nan 0.000 0.463 476 E N 1.982 122.236 120.200 0.090 0.000 2.232 476 E HA 0.608 4.957 4.350 -0.001 0.000 0.264 476 E C -0.247 176.341 176.600 -0.021 0.000 0.973 476 E CA -0.894 55.544 56.400 0.063 0.000 0.849 476 E CB 1.563 31.315 29.700 0.087 0.000 1.198 476 E HN 0.325 nan 8.360 nan 0.000 0.407 477 L N -0.297 120.922 121.223 -0.005 0.000 0.585 477 L HA -0.261 4.079 4.340 -0.001 0.000 0.356 477 L C 0.635 177.614 176.870 0.182 0.000 0.963 477 L CA 0.645 55.498 54.840 0.021 0.000 1.223 477 L CB -1.502 40.390 42.059 -0.278 0.000 0.011 477 L HN 1.011 nan 8.230 nan 0.000 0.091 478 G N 0.197 109.063 108.800 0.110 0.000 2.692 478 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.248 478 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.248 478 G C 0.435 175.545 174.900 0.351 0.000 1.340 478 G CA 0.959 46.230 45.100 0.285 0.000 0.896 478 G HN 1.167 nan 8.290 nan 0.000 0.570 479 E N -1.064 119.266 120.200 0.217 0.000 2.153 479 E HA -0.119 4.230 4.350 -0.001 0.000 0.194 479 E C 2.185 178.582 176.600 -0.339 0.000 0.988 479 E CA 1.791 57.988 56.400 -0.337 0.000 0.811 479 E CB -0.162 29.372 29.700 -0.276 0.000 0.746 479 E HN 0.622 nan 8.360 nan 0.000 0.466 480 Y N -0.237 120.036 120.300 -0.045 0.000 2.256 480 Y HA -0.103 4.447 4.550 -0.001 0.000 0.288 480 Y C 2.427 178.299 175.900 -0.047 0.000 1.155 480 Y CA 1.105 59.184 58.100 -0.035 0.000 1.203 480 Y CB -0.643 37.818 38.460 0.002 0.000 0.980 480 Y HN 0.161 nan 8.280 nan 0.000 0.530 481 G N -0.221 108.680 108.800 0.168 0.000 2.535 481 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.218 481 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.218 481 G C 1.425 176.343 174.900 0.030 0.000 1.122 481 G CA 0.716 45.897 45.100 0.135 0.000 0.769 481 G HN 0.406 nan 8.290 nan 0.000 0.549 482 L N -0.443 120.666 121.223 -0.190 0.000 2.341 482 L HA 0.056 4.396 4.340 -0.001 0.000 0.214 482 L C 2.794 179.519 176.870 -0.242 0.000 1.115 482 L CA 0.294 54.904 54.840 -0.385 0.000 0.820 482 L CB -0.219 41.155 42.059 -1.141 0.000 0.944 482 L HN 0.155 nan 8.230 nan 0.000 0.452 483 Q N 1.280 120.995 119.800 -0.141 0.000 2.084 483 Q HA -0.203 4.137 4.340 -0.001 0.000 0.202 483 Q C 2.125 178.090 176.000 -0.058 0.000 0.978 483 Q CA 2.064 57.850 55.803 -0.029 0.000 0.844 483 Q CB 0.008 28.756 28.738 0.017 0.000 0.898 483 Q HN 0.500 nan 8.270 nan 0.000 0.426 484 A N -0.988 121.759 122.820 -0.121 0.000 2.206 484 A HA -0.068 4.252 4.320 -0.001 0.000 0.211 484 A C 0.873 178.191 177.584 -0.444 0.000 1.158 484 A CA 0.365 52.234 52.037 -0.279 0.000 0.761 484 A CB -0.366 18.415 19.000 -0.364 0.000 0.801 484 A HN 0.436 nan 8.150 nan 0.000 0.473 485 Y N -0.420 119.839 120.300 -0.069 0.000 2.485 485 Y HA 0.186 4.736 4.550 -0.001 0.000 0.260 485 Y C 0.329 176.217 175.900 -0.021 0.000 1.173 485 Y CA 0.085 58.153 58.100 -0.054 0.000 1.252 485 Y CB 0.577 38.987 38.460 -0.082 0.000 1.123 485 Y HN 0.073 nan 8.280 nan 0.000 0.524 486 T N 0.347 114.938 114.554 0.062 0.000 2.807 486 T HA 0.319 4.669 4.350 -0.001 0.000 0.279 486 T C -0.897 173.805 174.700 0.004 0.000 0.993 486 T CA -0.653 61.483 62.100 0.061 0.000 0.970 486 T CB 1.796 70.696 68.868 0.054 0.000 0.950 486 T HN -0.063 nan 8.240 nan 0.000 0.441 487 E N 2.155 122.375 120.200 0.034 0.000 2.151 487 E HA 0.501 4.851 4.350 -0.001 0.000 0.275 487 E C -1.050 175.563 176.600 0.021 0.000 0.936 487 E CA -0.553 55.859 56.400 0.019 0.000 0.777 487 E CB 0.975 30.705 29.700 0.049 0.000 1.108 487 E HN 0.314 nan 8.360 nan 0.000 0.401 488 V N 5.350 125.260 119.914 -0.007 0.000 2.432 488 V HA 0.305 4.424 4.120 -0.001 0.000 0.275 488 V C 0.076 176.186 176.094 0.027 0.000 1.043 488 V CA -0.534 61.780 62.300 0.022 0.000 0.925 488 V CB 1.169 32.986 31.823 -0.010 0.000 0.985 488 V HN 0.565 nan 8.190 nan 0.000 0.466 489 K N 3.277 123.704 120.400 0.045 0.000 2.274 489 K HA 0.497 4.816 4.320 -0.001 0.000 0.262 489 K C -0.482 176.082 176.600 -0.060 0.000 0.961 489 K CA -0.367 55.915 56.287 -0.007 0.000 0.833 489 K CB 1.390 33.891 32.500 0.002 0.000 1.102 489 K HN 0.693 nan 8.250 nan 0.000 0.436 490 T N 2.971 117.460 114.554 -0.109 0.000 2.806 490 T HA 0.280 4.630 4.350 -0.001 0.000 0.290 490 T C -0.679 173.837 174.700 -0.307 0.000 0.966 490 T CA -0.510 61.472 62.100 -0.197 0.000 1.060 490 T CB 1.138 69.914 68.868 -0.154 0.000 0.927 490 T HN 0.298 nan 8.240 nan 0.000 0.485 491 V N 3.863 123.431 119.914 -0.576 0.000 2.409 491 V HA 0.491 4.611 4.120 -0.001 0.000 0.291 491 V C 0.094 175.796 176.094 -0.653 0.000 1.020 491 V CA -0.703 61.190 62.300 -0.678 0.000 0.848 491 V CB 1.871 33.059 31.823 -1.059 0.000 0.990 491 V HN 0.949 nan 8.190 nan 0.000 0.430 492 T N 4.516 118.862 114.554 -0.347 0.000 2.847 492 T HA 0.564 4.914 4.350 -0.001 0.000 0.291 492 T C -0.516 174.161 174.700 -0.039 0.000 0.998 492 T CA -0.337 61.639 62.100 -0.207 0.000 0.967 492 T CB 1.450 70.186 68.868 -0.219 0.000 0.954 492 T HN 0.344 nan 8.240 nan 0.000 0.441 493 V N 3.944 123.919 119.914 0.101 0.000 2.448 493 V HA 0.455 4.575 4.120 -0.001 0.000 0.295 493 V C 0.360 176.662 176.094 0.347 0.000 1.025 493 V CA -1.185 61.240 62.300 0.208 0.000 0.859 493 V CB 1.785 33.750 31.823 0.236 0.000 0.988 493 V HN 0.741 nan 8.190 nan 0.000 0.431 494 K N 3.950 124.526 120.400 0.294 0.000 2.412 494 K HA 0.416 4.735 4.320 -0.001 0.000 0.281 494 K C -0.439 176.176 176.600 0.025 0.000 1.027 494 K CA -0.173 56.179 56.287 0.107 0.000 0.989 494 K CB 0.870 33.427 32.500 0.094 0.000 0.935 494 K HN 0.682 nan 8.250 nan 0.000 0.475 495 V N 2.075 121.934 119.914 -0.092 0.000 2.960 495 V HA 0.416 4.535 4.120 -0.001 0.000 0.315 495 V C -2.113 173.920 176.094 -0.101 0.000 1.087 495 V CA -1.956 60.314 62.300 -0.049 0.000 0.982 495 V CB 1.353 33.173 31.823 -0.005 0.000 1.039 495 V HN 0.683 nan 8.190 nan 0.000 0.437 496 P HA -0.091 nan 4.420 nan 0.000 0.215 496 P C 0.091 177.343 177.300 -0.082 0.000 1.157 496 P CA 1.369 64.429 63.100 -0.066 0.000 0.874 496 P CB 0.138 31.812 31.700 -0.044 0.000 0.790 497 Q N -1.101 118.655 119.800 -0.075 0.000 2.371 497 Q HA 0.137 4.477 4.340 -0.001 0.000 0.244 497 Q C -1.078 174.886 176.000 -0.060 0.000 0.882 497 Q CA -0.743 55.017 55.803 -0.071 0.000 0.866 497 Q CB 1.046 29.753 28.738 -0.052 0.000 1.399 497 Q HN -0.225 nan 8.270 nan 0.000 0.432 498 K N 3.772 124.135 120.400 -0.061 0.000 2.368 498 K HA 0.237 4.556 4.320 -0.001 0.000 0.282 498 K C -1.118 175.470 176.600 -0.019 0.000 1.035 498 K CA 0.382 56.652 56.287 -0.029 0.000 0.973 498 K CB 0.492 32.988 32.500 -0.006 0.000 0.957 498 K HN 0.699 nan 8.250 nan 0.000 0.474 499 N N 1.326 120.015 118.700 -0.018 0.000 2.265 499 N HA 0.129 4.869 4.740 -0.001 0.000 0.300 499 N C -0.517 174.988 175.510 -0.009 0.000 1.148 499 N CA -0.474 52.567 53.050 -0.015 0.000 0.772 499 N CB 1.747 40.219 38.487 -0.024 0.000 1.434 499 N HN 0.688 nan 8.380 nan 0.000 0.481 500 S N 0.000 115.698 115.700 -0.004 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 500 S CA 0.000 58.200 58.200 -0.000 0.000 1.107 500 S CB 0.000 63.201 63.200 0.002 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517