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 3inl_1_H DATA FIRST_RESID 6 DATA SEQUENCE QAVPAPNQQP EVFCNQIFIN NEWHDAVSRK TFPTVNPSTG EVICQVAEGD DATA SEQUENCE KEDVDKAVKA ARAAFQLGSP WRRMDASHRG RLLNRLADLI ERDRTYLAAL DATA SEQUENCE ETLDNGKPYV ISYLVDLDMV LKCLRYYAGW ADKYHGKTIP IDGDFFSYTR DATA SEQUENCE HEPVGVCGQI IPWNFPLLMQ AWKLGPALAT GNVVVMKVAE QTPLTALYVA DATA SEQUENCE NLIKEAGFPP GVVNIVPGFG PTAGAAIASH EDVDKVAFTG STEIGRVIQV DATA SEQUENCE AAGSSNLKRV TLELGGKSPN IIMSDADMDW AVEQAHFALF FNQGQCSCAG DATA SEQUENCE SRTFVQEDIY DEFVERSVAR AKSRVVGNPF DSKTEQGPQV DETQFKKILG DATA SEQUENCE YINTGKQEGA KLLCGGGIAA DRGYFIQPTV FGDVQDGMTI AKEEIFGPVM DATA SEQUENCE QILKFKTIEE VVGRANNSTY GLAAAVFTKD LDKANYLSQA LQAGTVWVNC DATA SEQUENCE YDVFGAQSPF GGYKMSGSGR ELGEYGLQAY TKVKTVTVKV PQKNS 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 6 Q HA 0.000 nan 4.340 nan 0.000 0.214 6 Q C 0.000 176.037 176.000 0.062 0.000 1.003 6 Q CA 0.000 55.845 55.803 0.070 0.000 1.022 6 Q CB 0.000 28.768 28.738 0.051 0.000 1.108 7 A N 2.627 125.483 122.820 0.061 0.000 2.409 7 A HA 0.569 4.889 4.320 0.001 0.000 0.262 7 A C -0.031 177.534 177.584 -0.032 0.000 1.113 7 A CA -0.159 51.892 52.037 0.024 0.000 0.790 7 A CB 0.679 19.696 19.000 0.029 0.000 1.046 7 A HN 0.133 nan 8.150 nan 0.000 0.496 8 V N 5.118 124.959 119.914 -0.121 0.000 2.409 8 V HA 0.348 4.469 4.120 0.001 0.000 0.291 8 V C -2.130 173.823 176.094 -0.236 0.000 1.020 8 V CA -1.316 60.762 62.300 -0.370 0.000 0.848 8 V CB 1.190 32.832 31.823 -0.301 0.000 0.990 8 V HN 0.892 nan 8.190 nan 0.000 0.430 9 P HA 0.297 nan 4.420 nan 0.000 0.269 9 P C -0.157 177.164 177.300 0.034 0.000 1.209 9 P CA -0.101 62.953 63.100 -0.076 0.000 0.776 9 P CB 0.509 32.193 31.700 -0.028 0.000 0.876 10 A N 4.376 127.205 122.820 0.014 0.000 2.520 10 A HA 0.351 4.672 4.320 0.001 0.000 0.245 10 A C -1.767 175.756 177.584 -0.101 0.000 1.072 10 A CA -0.652 51.373 52.037 -0.021 0.000 0.761 10 A CB -1.076 17.902 19.000 -0.037 0.000 1.004 10 A HN 0.438 nan 8.150 nan 0.000 0.499 11 P HA 0.175 nan 4.420 nan 0.000 0.284 11 P C -0.785 176.289 177.300 -0.376 0.000 1.258 11 P CA -0.795 61.980 63.100 -0.541 0.000 0.824 11 P CB 0.718 31.701 31.700 -1.196 0.000 1.038 12 N N 1.725 120.254 118.700 -0.285 0.000 2.415 12 N HA 0.002 4.742 4.740 0.001 0.000 0.250 12 N C 0.903 176.103 175.510 -0.516 0.000 1.127 12 N CA 0.292 53.179 53.050 -0.273 0.000 0.945 12 N CB 0.201 38.629 38.487 -0.098 0.000 1.196 12 N HN 0.254 nan 8.380 nan 0.000 0.499 13 Q N 1.893 121.276 119.800 -0.695 0.000 2.364 13 Q HA -0.067 4.274 4.340 0.001 0.000 0.207 13 Q C -0.187 175.388 176.000 -0.708 0.000 0.970 13 Q CA 1.018 56.109 55.803 -1.188 0.000 0.888 13 Q CB 0.253 28.502 28.738 -0.816 0.000 0.951 13 Q HN 0.696 nan 8.270 nan 0.000 0.469 14 Q N 0.840 120.414 119.800 -0.377 0.000 3.048 14 Q HA 0.252 4.593 4.340 0.001 0.000 0.337 14 Q C -2.438 173.478 176.000 -0.140 0.000 0.845 14 Q CA -1.453 54.227 55.803 -0.206 0.000 0.942 14 Q CB 1.318 29.961 28.738 -0.158 0.000 1.454 14 Q HN 0.132 nan 8.270 nan 0.000 0.392 15 P HA -0.099 nan 4.420 nan 0.000 0.266 15 P C -0.232 177.039 177.300 -0.048 0.000 1.195 15 P CA 0.214 63.300 63.100 -0.025 0.000 0.768 15 P CB 0.928 32.595 31.700 -0.055 0.000 0.838 16 E N 1.497 121.658 120.200 -0.064 0.000 2.373 16 E HA 0.183 4.534 4.350 0.001 0.000 0.267 16 E C -0.704 175.637 176.600 -0.431 0.000 1.032 16 E CA -0.593 55.613 56.400 -0.323 0.000 0.889 16 E CB 0.586 29.964 29.700 -0.537 0.000 0.984 16 E HN 0.135 nan 8.360 nan 0.000 0.425 17 V N 5.944 125.608 119.914 -0.415 0.000 2.465 17 V HA 0.122 4.243 4.120 0.001 0.000 0.279 17 V C 0.141 175.960 176.094 -0.458 0.000 1.045 17 V CA 0.052 62.172 62.300 -0.300 0.000 0.938 17 V CB 0.929 32.656 31.823 -0.160 0.000 0.986 17 V HN 0.744 nan 8.190 nan 0.000 0.467 18 F N 1.203 121.180 119.950 0.046 0.000 2.680 18 F HA 0.266 4.794 4.527 0.001 0.000 0.290 18 F C 0.902 176.601 175.800 -0.168 0.000 1.114 18 F CA -0.017 57.976 58.000 -0.012 0.000 1.333 18 F CB 0.486 39.543 39.000 0.094 0.000 1.091 18 F HN 0.384 nan 8.300 nan 0.000 0.606 19 C N 2.102 121.387 119.300 -0.025 0.000 2.364 19 C HA 0.424 4.884 4.460 0.001 0.000 0.324 19 C C 0.164 174.977 174.990 -0.294 0.000 1.234 19 C CA -0.865 57.883 59.018 -0.450 0.000 1.417 19 C CB 0.393 27.801 27.740 -0.553 0.000 2.101 19 C HN 0.520 nan 8.230 nan 0.000 0.466 20 N N 1.550 120.057 118.700 -0.322 0.000 2.471 20 N HA 0.096 4.836 4.740 0.001 0.000 0.270 20 N C -0.477 174.999 175.510 -0.057 0.000 1.490 20 N CA -0.244 52.720 53.050 -0.143 0.000 0.850 20 N CB 0.146 38.548 38.487 -0.141 0.000 1.411 20 N HN 0.786 nan 8.380 nan 0.000 0.488 21 Q N -0.147 119.676 119.800 0.038 0.000 3.156 21 Q HA 0.584 4.924 4.340 0.001 0.000 0.301 21 Q C -0.569 175.752 176.000 0.536 0.000 1.026 21 Q CA -0.959 55.010 55.803 0.276 0.000 0.827 21 Q CB 1.927 30.860 28.738 0.325 0.000 1.490 21 Q HN 0.134 nan 8.270 nan 0.000 0.492 22 I N 1.279 122.139 120.570 0.485 0.000 2.365 22 I HA 0.213 4.383 4.170 0.001 0.000 0.291 22 I C -0.869 175.475 176.117 0.379 0.000 1.004 22 I CA -0.284 61.249 61.300 0.388 0.000 1.311 22 I CB 0.570 38.706 38.000 0.226 0.000 1.401 22 I HN 0.372 nan 8.210 nan 0.000 0.491 23 F N 8.266 128.219 119.950 0.006 0.000 2.361 23 F HA 0.614 5.141 4.527 0.001 0.000 0.364 23 F C -0.484 175.190 175.800 -0.210 0.000 1.120 23 F CA -0.388 57.393 58.000 -0.365 0.000 1.102 23 F CB 0.414 39.040 39.000 -0.624 0.000 1.183 23 F HN 0.188 nan 8.300 nan 0.000 0.476 24 I N 5.781 125.988 120.570 -0.604 0.000 2.571 24 I HA 0.182 4.353 4.170 0.001 0.000 0.289 24 I C -0.390 175.443 176.117 -0.474 0.000 1.115 24 I CA -0.980 60.043 61.300 -0.462 0.000 1.045 24 I CB 1.843 39.583 38.000 -0.435 0.000 1.238 24 I HN 0.505 nan 8.210 nan 0.000 0.424 25 N N 4.761 123.212 118.700 -0.414 0.000 2.721 25 N HA -0.248 4.493 4.740 0.001 0.000 0.249 25 N C 0.019 175.292 175.510 -0.396 0.000 1.072 25 N CA 1.359 54.230 53.050 -0.299 0.000 0.710 25 N CB -1.027 37.367 38.487 -0.154 0.000 0.993 25 N HN 0.946 nan 8.380 nan 0.000 0.547 26 N N -1.414 116.824 118.700 -0.771 0.000 2.776 26 N HA -0.220 4.521 4.740 0.001 0.000 0.250 26 N C -0.982 174.166 175.510 -0.603 0.000 1.112 26 N CA 1.110 53.752 53.050 -0.680 0.000 0.733 26 N CB -0.411 37.978 38.487 -0.164 0.000 1.097 26 N HN 0.588 nan 8.380 nan 0.000 0.558 27 E N -0.858 118.868 120.200 -0.791 0.000 2.367 27 E HA 0.366 4.716 4.350 0.001 0.000 0.273 27 E C -1.095 175.182 176.600 -0.538 0.000 0.903 27 E CA -0.658 55.457 56.400 -0.475 0.000 0.764 27 E CB 1.240 30.774 29.700 -0.276 0.000 1.252 27 E HN 0.117 nan 8.360 nan 0.000 0.446 28 W N 1.768 122.973 121.300 -0.159 0.000 2.390 28 W HA 0.316 4.977 4.660 0.001 0.000 0.312 28 W C 0.243 176.623 176.519 -0.231 0.000 1.123 28 W CA -0.305 57.019 57.345 -0.035 0.000 1.202 28 W CB 0.925 30.421 29.460 0.060 0.000 1.251 28 W HN 0.281 nan 8.180 nan 0.000 0.511 29 H N 2.017 121.249 119.070 0.270 0.000 2.637 29 H HA 0.202 4.758 4.556 0.001 0.000 0.363 29 H C -0.538 174.883 175.328 0.156 0.000 1.131 29 H CA -0.901 55.236 56.048 0.149 0.000 1.183 29 H CB 1.860 31.661 29.762 0.065 0.000 1.637 29 H HN 0.265 nan 8.280 nan 0.000 0.531 30 D N 0.886 121.412 120.400 0.209 0.000 2.344 30 D HA 0.226 4.867 4.640 0.001 0.000 0.244 30 D C 0.429 176.815 176.300 0.143 0.000 1.134 30 D CA -0.317 53.771 54.000 0.146 0.000 0.930 30 D CB 1.238 42.095 40.800 0.095 0.000 1.175 30 D HN 0.587 nan 8.370 nan 0.000 0.437 31 A N 0.946 123.829 122.820 0.105 0.000 2.483 31 A HA 0.075 4.395 4.320 0.001 0.000 0.238 31 A C 1.521 179.145 177.584 0.067 0.000 1.070 31 A CA -0.426 51.659 52.037 0.080 0.000 0.770 31 A CB 0.331 19.368 19.000 0.062 0.000 1.008 31 A HN 0.424 nan 8.150 nan 0.000 0.497 32 V N 2.414 122.360 119.914 0.052 0.000 2.568 32 V HA -0.237 3.884 4.120 0.001 0.000 0.253 32 V C 2.731 178.850 176.094 0.041 0.000 1.072 32 V CA 2.655 64.982 62.300 0.045 0.000 1.084 32 V CB -0.871 30.971 31.823 0.031 0.000 0.676 32 V HN 1.134 nan 8.190 nan 0.000 0.469 33 S N -0.945 114.778 115.700 0.040 0.000 2.461 33 S HA -0.156 4.315 4.470 0.001 0.000 0.228 33 S C 1.443 176.067 174.600 0.041 0.000 1.005 33 S CA 0.580 58.803 58.200 0.038 0.000 0.942 33 S CB -0.025 63.197 63.200 0.038 0.000 0.776 33 S HN 0.506 nan 8.310 nan 0.000 0.514 34 R N -0.399 120.128 120.500 0.046 0.000 3.653 34 R HA -0.090 4.251 4.340 0.001 0.000 0.485 34 R C -0.517 175.809 176.300 0.043 0.000 0.840 34 R CA 1.422 57.549 56.100 0.045 0.000 1.409 34 R CB -2.300 28.023 30.300 0.038 0.000 2.089 34 R HN 0.561 nan 8.270 nan 0.000 0.482 35 K N 1.541 121.970 120.400 0.047 0.000 2.258 35 K HA 0.298 4.619 4.320 0.001 0.000 0.264 35 K C 0.785 177.420 176.600 0.058 0.000 1.007 35 K CA 0.812 57.132 56.287 0.055 0.000 0.941 35 K CB 0.632 33.170 32.500 0.064 0.000 0.966 35 K HN 0.303 nan 8.250 nan 0.000 0.480 36 T N -1.074 113.519 114.554 0.065 0.000 2.903 36 T HA 0.652 5.003 4.350 0.001 0.000 0.299 36 T C -0.826 173.947 174.700 0.122 0.000 1.093 36 T CA -1.060 61.064 62.100 0.040 0.000 1.002 36 T CB 0.684 69.527 68.868 -0.042 0.000 1.127 36 T HN 0.453 nan 8.240 nan 0.000 0.488 37 F N -0.116 119.836 119.950 0.003 0.000 2.546 37 F HA 0.879 5.407 4.527 0.001 0.000 0.320 37 F C -2.975 172.868 175.800 0.072 0.000 1.076 37 F CA -3.079 54.969 58.000 0.080 0.000 0.928 37 F CB 1.365 40.445 39.000 0.134 0.000 1.189 37 F HN 0.382 nan 8.300 nan 0.000 0.465 38 P HA 0.182 nan 4.420 nan 0.000 0.278 38 P C -0.853 176.509 177.300 0.103 0.000 1.238 38 P CA -0.169 62.947 63.100 0.027 0.000 0.794 38 P CB 1.827 33.573 31.700 0.076 0.000 0.955 39 T N 1.432 115.985 114.554 -0.002 0.000 2.829 39 T HA 0.448 4.798 4.350 0.001 0.000 0.280 39 T C -0.707 174.014 174.700 0.035 0.000 0.999 39 T CA -0.543 61.599 62.100 0.070 0.000 0.983 39 T CB 0.453 69.348 68.868 0.045 0.000 0.968 39 T HN 0.070 nan 8.240 nan 0.000 0.446 40 V N 5.271 125.214 119.914 0.049 0.000 2.667 40 V HA 0.446 4.566 4.120 0.001 0.000 0.308 40 V C 0.449 176.551 176.094 0.013 0.000 1.048 40 V CA -1.144 61.175 62.300 0.032 0.000 0.928 40 V CB 1.791 33.651 31.823 0.061 0.000 1.004 40 V HN 0.953 nan 8.190 nan 0.000 0.444 41 N N 5.145 123.839 118.700 -0.009 0.000 2.402 41 N HA 0.193 4.934 4.740 0.001 0.000 0.252 41 N C -1.561 173.907 175.510 -0.070 0.000 1.118 41 N CA -1.364 51.670 53.050 -0.028 0.000 0.945 41 N CB 1.246 39.720 38.487 -0.022 0.000 1.147 41 N HN 0.412 nan 8.380 nan 0.000 0.495 42 P HA -0.076 nan 4.420 nan 0.000 0.228 42 P C 0.512 177.584 177.300 -0.380 0.000 1.151 42 P CA 0.871 63.912 63.100 -0.098 0.000 0.770 42 P CB 0.352 32.022 31.700 -0.050 0.000 0.786 43 S N -0.737 114.812 115.700 -0.253 0.000 2.461 43 S HA -0.030 4.440 4.470 0.001 0.000 0.228 43 S C 1.774 176.317 174.600 -0.096 0.000 1.005 43 S CA 1.725 59.822 58.200 -0.172 0.000 0.942 43 S CB -0.454 62.785 63.200 0.065 0.000 0.776 43 S HN 0.444 nan 8.310 nan 0.000 0.514 44 T N -3.600 110.848 114.554 -0.177 0.000 2.954 44 T HA 0.451 4.801 4.350 0.001 0.000 0.252 44 T C 1.419 175.970 174.700 -0.248 0.000 0.983 44 T CA 0.795 62.805 62.100 -0.150 0.000 0.941 44 T CB 0.394 69.218 68.868 -0.074 0.000 1.141 44 T HN 0.465 nan 8.240 nan 0.000 0.500 45 G N 1.554 110.160 108.800 -0.324 0.000 2.143 45 G HA2 -0.200 3.760 3.960 0.001 0.000 0.249 45 G HA3 -0.200 3.760 3.960 0.001 0.000 0.249 45 G C -0.305 174.541 174.900 -0.091 0.000 0.981 45 G CA 0.170 45.101 45.100 -0.282 0.000 0.665 45 G HN 0.691 nan 8.290 nan 0.000 0.528 46 E N -0.290 119.865 120.200 -0.075 0.000 2.222 46 E HA 0.522 4.873 4.350 0.001 0.000 0.272 46 E C 0.386 176.973 176.600 -0.021 0.000 0.982 46 E CA -0.994 55.382 56.400 -0.039 0.000 0.842 46 E CB 2.266 31.940 29.700 -0.043 0.000 1.144 46 E HN 0.093 nan 8.360 nan 0.000 0.397 47 V N 3.650 123.557 119.914 -0.012 0.000 2.585 47 V HA -0.055 4.065 4.120 0.001 0.000 0.296 47 V C 1.307 177.386 176.094 -0.025 0.000 1.035 47 V CA 0.623 62.918 62.300 -0.009 0.000 1.084 47 V CB 0.168 31.987 31.823 -0.007 0.000 0.953 47 V HN 0.700 nan 8.190 nan 0.000 0.483 48 I N 3.536 124.089 120.570 -0.028 0.000 2.296 48 I HA 0.045 4.216 4.170 0.001 0.000 0.242 48 I C 0.997 177.079 176.117 -0.059 0.000 1.087 48 I CA 1.390 62.666 61.300 -0.041 0.000 1.393 48 I CB 0.255 38.233 38.000 -0.036 0.000 1.093 48 I HN 0.907 nan 8.210 nan 0.000 0.421 49 C N -2.118 117.140 119.300 -0.069 0.000 3.259 49 C HA 0.413 4.873 4.460 0.001 0.000 0.344 49 C C -1.278 173.636 174.990 -0.126 0.000 1.401 49 C CA -1.177 57.787 59.018 -0.091 0.000 1.219 49 C CB 1.260 28.938 27.740 -0.102 0.000 1.521 49 C HN 0.158 nan 8.230 nan 0.000 0.455 50 Q N 0.686 120.403 119.800 -0.139 0.000 2.230 50 Q HA 0.702 5.042 4.340 0.001 0.000 0.248 50 Q C -0.673 175.154 176.000 -0.289 0.000 0.915 50 Q CA -0.201 55.483 55.803 -0.198 0.000 0.900 50 Q CB 1.955 30.619 28.738 -0.124 0.000 1.229 50 Q HN 0.709 nan 8.270 nan 0.000 0.439 51 V N 0.833 120.429 119.914 -0.530 0.000 2.656 51 V HA 0.470 4.591 4.120 0.001 0.000 0.307 51 V C -0.197 175.656 176.094 -0.401 0.000 1.051 51 V CA -1.222 60.745 62.300 -0.555 0.000 0.893 51 V CB 1.768 33.074 31.823 -0.862 0.000 0.999 51 V HN 0.910 nan 8.190 nan 0.000 0.426 52 A N 2.804 125.562 122.820 -0.104 0.000 2.584 52 A HA 0.117 4.438 4.320 0.001 0.000 0.239 52 A C 0.443 178.122 177.584 0.159 0.000 1.043 52 A CA 0.418 52.480 52.037 0.042 0.000 0.756 52 A CB -0.059 19.010 19.000 0.116 0.000 0.963 52 A HN 0.855 nan 8.150 nan 0.000 0.511 53 E N 2.736 123.025 120.200 0.148 0.000 2.079 53 E HA 0.327 4.678 4.350 0.001 0.000 0.252 53 E C 0.568 177.166 176.600 -0.003 0.000 0.992 53 E CA -0.223 56.243 56.400 0.110 0.000 0.829 53 E CB 0.398 30.106 29.700 0.013 0.000 1.158 53 E HN 0.831 nan 8.360 nan 0.000 0.435 54 G N 3.125 111.935 108.800 0.018 0.000 2.491 54 G HA2 0.055 4.015 3.960 0.001 0.000 0.242 54 G HA3 0.055 4.015 3.960 0.001 0.000 0.242 54 G C -0.153 174.732 174.900 -0.025 0.000 1.266 54 G CA -0.161 44.947 45.100 0.014 0.000 0.844 54 G HN 0.489 nan 8.290 nan 0.000 0.571 55 D N -0.572 119.829 120.400 0.002 0.000 2.801 55 D HA 0.217 4.858 4.640 0.001 0.000 0.277 55 D C 1.380 177.696 176.300 0.026 0.000 1.125 55 D CA -0.806 53.201 54.000 0.011 0.000 1.102 55 D CB 1.412 42.222 40.800 0.016 0.000 1.400 55 D HN 0.262 nan 8.370 nan 0.000 0.601 56 K N 0.014 120.434 120.400 0.033 0.000 2.103 56 K HA -0.177 4.144 4.320 0.001 0.000 0.207 56 K C 1.295 177.922 176.600 0.045 0.000 1.048 56 K CA 1.637 57.950 56.287 0.044 0.000 0.930 56 K CB 0.108 32.628 32.500 0.034 0.000 0.716 56 K HN 0.196 nan 8.250 nan 0.000 0.444 57 E N 0.904 121.122 120.200 0.030 0.000 2.106 57 E HA -0.154 4.196 4.350 0.001 0.000 0.192 57 E C 1.624 178.233 176.600 0.015 0.000 0.984 57 E CA 1.458 57.872 56.400 0.024 0.000 0.806 57 E CB -0.040 29.672 29.700 0.019 0.000 0.750 57 E HN 0.372 nan 8.360 nan 0.000 0.458 58 D N -0.074 120.332 120.400 0.011 0.000 2.149 58 D HA -0.088 4.553 4.640 0.001 0.000 0.201 58 D C 1.954 178.244 176.300 -0.016 0.000 0.972 58 D CA 0.808 54.803 54.000 -0.009 0.000 0.835 58 D CB 0.059 40.864 40.800 0.007 0.000 0.966 58 D HN 0.059 nan 8.370 nan 0.000 0.476 59 V N 1.960 121.881 119.914 0.012 0.000 2.358 59 V HA -0.200 3.920 4.120 0.001 0.000 0.246 59 V C 1.969 178.065 176.094 0.004 0.000 1.047 59 V CA 1.577 63.882 62.300 0.008 0.000 1.035 59 V CB -0.381 31.471 31.823 0.049 0.000 0.658 59 V HN 0.032 nan 8.190 nan 0.000 0.452 60 D N 0.172 120.617 120.400 0.075 0.000 2.123 60 D HA -0.179 4.462 4.640 0.001 0.000 0.196 60 D C 2.241 178.558 176.300 0.028 0.000 0.992 60 D CA 1.323 55.403 54.000 0.133 0.000 0.833 60 D CB -0.164 40.709 40.800 0.123 0.000 0.954 60 D HN 0.442 nan 8.370 nan 0.000 0.455 61 K N 0.542 120.928 120.400 -0.023 0.000 2.057 61 K HA -0.037 4.284 4.320 0.001 0.000 0.207 61 K C 2.165 178.699 176.600 -0.109 0.000 1.049 61 K CA 1.152 57.393 56.287 -0.075 0.000 0.931 61 K CB -0.074 32.351 32.500 -0.125 0.000 0.714 61 K HN 0.020 nan 8.250 nan 0.000 0.440 62 A N 0.927 123.678 122.820 -0.116 0.000 1.902 62 A HA -0.118 4.202 4.320 0.001 0.000 0.217 62 A C 2.356 179.864 177.584 -0.127 0.000 1.181 62 A CA 1.408 53.370 52.037 -0.126 0.000 0.623 62 A CB -0.649 18.290 19.000 -0.101 0.000 0.818 62 A HN 0.074 nan 8.150 nan 0.000 0.443 63 V N 0.215 120.032 119.914 -0.162 0.000 2.427 63 V HA -0.261 3.860 4.120 0.001 0.000 0.248 63 V C 2.420 178.444 176.094 -0.117 0.000 1.051 63 V CA 2.264 64.432 62.300 -0.220 0.000 1.048 63 V CB -0.679 30.823 31.823 -0.535 0.000 0.666 63 V HN 0.531 nan 8.190 nan 0.000 0.456 64 K N 0.354 120.715 120.400 -0.066 0.000 2.026 64 K HA -0.129 4.191 4.320 0.001 0.000 0.208 64 K C 2.369 178.954 176.600 -0.025 0.000 1.048 64 K CA 1.493 57.768 56.287 -0.020 0.000 0.929 64 K CB -0.450 32.046 32.500 -0.005 0.000 0.713 64 K HN 0.463 nan 8.250 nan 0.000 0.439 65 A N 1.696 124.483 122.820 -0.055 0.000 1.883 65 A HA -0.173 4.147 4.320 0.001 0.000 0.217 65 A C 2.410 179.972 177.584 -0.036 0.000 1.186 65 A CA 2.049 54.052 52.037 -0.057 0.000 0.624 65 A CB -0.803 18.135 19.000 -0.104 0.000 0.822 65 A HN 0.354 nan 8.150 nan 0.000 0.444 66 A N -0.322 122.467 122.820 -0.052 0.000 1.877 66 A HA -0.178 4.143 4.320 0.001 0.000 0.216 66 A C 2.186 179.794 177.584 0.039 0.000 1.186 66 A CA 2.272 54.290 52.037 -0.032 0.000 0.620 66 A CB -0.487 18.469 19.000 -0.074 0.000 0.822 66 A HN 0.465 nan 8.150 nan 0.000 0.443 67 R N 0.295 120.811 120.500 0.027 0.000 2.091 67 R HA -0.073 4.268 4.340 0.001 0.000 0.238 67 R C 2.098 178.482 176.300 0.140 0.000 1.136 67 R CA 2.033 58.188 56.100 0.091 0.000 0.959 67 R CB -0.969 29.365 30.300 0.056 0.000 0.856 67 R HN 0.411 nan 8.270 nan 0.000 0.437 68 A N 0.025 122.896 122.820 0.085 0.000 1.933 68 A HA -0.009 4.311 4.320 0.001 0.000 0.218 68 A C 2.307 179.958 177.584 0.111 0.000 1.175 68 A CA 1.694 53.780 52.037 0.081 0.000 0.628 68 A CB -0.929 18.096 19.000 0.042 0.000 0.814 68 A HN 0.473 nan 8.150 nan 0.000 0.444 69 A N -2.201 120.694 122.820 0.124 0.000 2.119 69 A HA 0.105 4.425 4.320 0.001 0.000 0.217 69 A C 1.717 179.475 177.584 0.290 0.000 1.153 69 A CA 1.135 53.269 52.037 0.163 0.000 0.692 69 A CB -0.520 18.535 19.000 0.091 0.000 0.799 69 A HN 0.566 nan 8.150 nan 0.000 0.458 70 F N 0.315 120.343 119.950 0.131 0.000 2.765 70 F HA 0.191 4.719 4.527 0.001 0.000 0.302 70 F C 0.731 176.602 175.800 0.118 0.000 1.111 70 F CA -0.158 57.941 58.000 0.165 0.000 1.359 70 F CB 0.162 39.242 39.000 0.133 0.000 1.097 70 F HN 0.092 nan 8.300 nan 0.000 0.577 71 Q N 1.749 121.610 119.800 0.102 0.000 2.300 71 Q HA 0.024 4.364 4.340 0.001 0.000 0.280 71 Q C -0.133 175.829 176.000 -0.064 0.000 1.033 71 Q CA -0.109 55.709 55.803 0.025 0.000 0.903 71 Q CB 0.849 29.619 28.738 0.053 0.000 1.195 71 Q HN 0.270 nan 8.270 nan 0.000 0.386 72 L N 1.796 122.966 121.223 -0.089 0.000 2.615 72 L HA 0.042 4.382 4.340 0.001 0.000 0.284 72 L C 1.257 178.096 176.870 -0.051 0.000 1.237 72 L CA 2.195 56.977 54.840 -0.097 0.000 0.905 72 L CB 0.083 42.104 42.059 -0.064 0.000 1.149 72 L HN 0.936 nan 8.230 nan 0.000 0.499 73 G N 1.974 110.741 108.800 -0.054 0.000 2.176 73 G HA2 -0.292 3.669 3.960 0.001 0.000 0.253 73 G HA3 -0.292 3.669 3.960 0.001 0.000 0.253 73 G C 0.350 175.245 174.900 -0.008 0.000 0.979 73 G CA 0.421 45.504 45.100 -0.027 0.000 0.641 73 G HN 1.143 nan 8.290 nan 0.000 0.530 74 S N 0.318 116.019 115.700 0.002 0.000 2.624 74 S HA 0.599 5.069 4.470 0.001 0.000 0.263 74 S C -0.595 174.046 174.600 0.067 0.000 1.287 74 S CA -0.332 57.896 58.200 0.046 0.000 0.990 74 S CB 1.889 65.138 63.200 0.082 0.000 0.950 74 S HN -0.009 nan 8.310 nan 0.000 0.561 75 P HA -0.100 nan 4.420 nan 0.000 0.215 75 P C 1.259 178.677 177.300 0.197 0.000 1.153 75 P CA 1.195 64.368 63.100 0.122 0.000 0.853 75 P CB -0.126 31.656 31.700 0.137 0.000 0.788 76 W N 0.142 121.469 121.300 0.044 0.000 2.402 76 W HA -0.109 4.552 4.660 0.001 0.000 0.286 76 W C 1.609 178.152 176.519 0.041 0.000 1.221 76 W CA 0.592 57.982 57.345 0.076 0.000 1.257 76 W CB -0.019 29.513 29.460 0.121 0.000 1.120 76 W HN -0.142 nan 8.180 nan 0.000 0.551 77 R N 0.281 120.766 120.500 -0.025 0.000 2.093 77 R HA -0.008 4.333 4.340 0.001 0.000 0.224 77 R C 2.082 178.284 176.300 -0.162 0.000 1.101 77 R CA 0.873 56.862 56.100 -0.184 0.000 0.979 77 R CB -0.663 29.527 30.300 -0.183 0.000 0.877 77 R HN 0.282 nan 8.270 nan 0.000 0.441 78 R N -0.085 120.360 120.500 -0.092 0.000 2.200 78 R HA 0.150 4.491 4.340 0.001 0.000 0.208 78 R C 1.109 177.355 176.300 -0.090 0.000 1.033 78 R CA -0.144 55.909 56.100 -0.078 0.000 1.000 78 R CB -0.060 30.214 30.300 -0.045 0.000 0.906 78 R HN 0.106 nan 8.270 nan 0.000 0.462 79 M N 2.412 121.949 119.600 -0.105 0.000 2.261 79 M HA -0.071 4.410 4.480 0.001 0.000 0.350 79 M C -0.740 175.496 176.300 -0.107 0.000 1.343 79 M CA 0.467 55.706 55.300 -0.102 0.000 1.003 79 M CB 0.482 33.034 32.600 -0.080 0.000 1.848 79 M HN -0.045 nan 8.290 nan 0.000 0.456 80 D N 4.211 124.576 120.400 -0.058 0.000 2.443 80 D HA 0.077 4.718 4.640 0.001 0.000 0.239 80 D C 0.890 177.181 176.300 -0.015 0.000 1.136 80 D CA 0.542 54.525 54.000 -0.028 0.000 0.879 80 D CB 0.984 41.784 40.800 0.000 0.000 1.195 80 D HN 0.778 nan 8.370 nan 0.000 0.443 81 A N 2.481 125.285 122.820 -0.026 0.000 1.892 81 A HA -0.251 4.070 4.320 0.001 0.000 0.218 81 A C 2.122 179.716 177.584 0.016 0.000 1.188 81 A CA 2.472 54.498 52.037 -0.019 0.000 0.631 81 A CB -0.768 18.235 19.000 0.006 0.000 0.822 81 A HN 0.617 nan 8.150 nan 0.000 0.447 82 S N -1.289 114.430 115.700 0.032 0.000 2.419 82 S HA -0.257 4.214 4.470 0.001 0.000 0.235 82 S C 1.773 176.402 174.600 0.048 0.000 1.019 82 S CA 1.691 59.913 58.200 0.037 0.000 0.982 82 S CB -0.672 62.549 63.200 0.036 0.000 0.789 82 S HN 0.779 nan 8.310 nan 0.000 0.490 83 H N 1.481 120.536 119.070 -0.026 0.000 2.448 83 H HA 0.257 4.813 4.556 0.001 0.000 0.292 83 H C 2.295 177.613 175.328 -0.017 0.000 1.035 83 H CA 1.087 57.119 56.048 -0.026 0.000 1.349 83 H CB -0.007 29.733 29.762 -0.036 0.000 1.425 83 H HN 0.325 nan 8.280 nan 0.000 0.539 84 R N -0.518 119.990 120.500 0.013 0.000 2.105 84 R HA -0.097 4.243 4.340 0.001 0.000 0.239 84 R C 2.496 178.838 176.300 0.071 0.000 1.135 84 R CA 1.140 57.272 56.100 0.053 0.000 0.967 84 R CB -0.553 29.747 30.300 -0.000 0.000 0.861 84 R HN 0.419 nan 8.270 nan 0.000 0.442 85 G N 1.172 109.993 108.800 0.035 0.000 2.418 85 G HA2 -0.239 3.722 3.960 0.001 0.000 0.217 85 G HA3 -0.239 3.722 3.960 0.001 0.000 0.217 85 G C 1.462 176.352 174.900 -0.015 0.000 1.158 85 G CA 0.216 45.340 45.100 0.041 0.000 0.771 85 G HN 0.115 nan 8.290 nan 0.000 0.545 86 R N 0.173 120.604 120.500 -0.115 0.000 2.081 86 R HA 0.073 4.414 4.340 0.001 0.000 0.235 86 R C 2.653 178.827 176.300 -0.210 0.000 1.131 86 R CA 0.616 56.607 56.100 -0.181 0.000 0.960 86 R CB -1.067 29.051 30.300 -0.303 0.000 0.856 86 R HN 0.405 nan 8.270 nan 0.000 0.436 87 L N 0.359 121.392 121.223 -0.317 0.000 2.046 87 L HA -0.149 4.192 4.340 0.001 0.000 0.208 87 L C 2.484 179.324 176.870 -0.051 0.000 1.077 87 L CA 1.021 55.626 54.840 -0.391 0.000 0.747 87 L CB -0.469 41.090 42.059 -0.834 0.000 0.896 87 L HN 0.120 nan 8.230 nan 0.000 0.432 88 L N -0.344 120.986 121.223 0.178 0.000 2.046 88 L HA -0.226 4.115 4.340 0.001 0.000 0.208 88 L C 2.410 179.387 176.870 0.179 0.000 1.077 88 L CA 1.086 56.111 54.840 0.309 0.000 0.747 88 L CB -0.572 41.659 42.059 0.286 0.000 0.896 88 L HN 0.356 nan 8.230 nan 0.000 0.432 89 N N -0.038 118.719 118.700 0.096 0.000 2.166 89 N HA -0.203 4.538 4.740 0.001 0.000 0.186 89 N C 1.934 177.480 175.510 0.060 0.000 1.019 89 N CA 1.064 54.155 53.050 0.068 0.000 0.856 89 N CB -0.185 38.321 38.487 0.032 0.000 0.993 89 N HN 0.231 nan 8.380 nan 0.000 0.426 90 R N 1.065 121.587 120.500 0.036 0.000 2.073 90 R HA -0.060 4.281 4.340 0.001 0.000 0.234 90 R C 2.149 178.500 176.300 0.084 0.000 1.134 90 R CA 0.906 57.026 56.100 0.033 0.000 0.952 90 R CB -0.780 29.508 30.300 -0.020 0.000 0.850 90 R HN 0.124 nan 8.270 nan 0.000 0.433 91 L N 0.479 121.791 121.223 0.149 0.000 2.012 91 L HA -0.070 4.271 4.340 0.001 0.000 0.210 91 L C 2.191 179.140 176.870 0.131 0.000 1.073 91 L CA 2.332 57.282 54.840 0.184 0.000 0.748 91 L CB -1.026 41.209 42.059 0.293 0.000 0.891 91 L HN 0.319 nan 8.230 nan 0.000 0.431 92 A N -0.928 121.967 122.820 0.125 0.000 1.902 92 A HA -0.233 4.087 4.320 0.001 0.000 0.217 92 A C 2.022 179.658 177.584 0.087 0.000 1.181 92 A CA 1.895 53.995 52.037 0.105 0.000 0.623 92 A CB -0.882 18.181 19.000 0.105 0.000 0.818 92 A HN 0.548 nan 8.150 nan 0.000 0.443 93 D N -0.001 120.446 120.400 0.078 0.000 2.117 93 D HA -0.117 4.524 4.640 0.001 0.000 0.197 93 D C 1.938 178.282 176.300 0.074 0.000 0.987 93 D CA 1.051 55.091 54.000 0.066 0.000 0.829 93 D CB -0.295 40.537 40.800 0.054 0.000 0.961 93 D HN 0.471 nan 8.370 nan 0.000 0.460 94 L N 0.312 121.584 121.223 0.081 0.000 2.056 94 L HA -0.087 4.253 4.340 0.001 0.000 0.207 94 L C 2.516 179.456 176.870 0.117 0.000 1.078 94 L CA 0.602 55.495 54.840 0.089 0.000 0.749 94 L CB -0.250 41.857 42.059 0.080 0.000 0.901 94 L HN 0.013 nan 8.230 nan 0.000 0.433 95 I N -0.150 120.491 120.570 0.119 0.000 2.286 95 I HA -0.305 3.866 4.170 0.001 0.000 0.248 95 I C 2.586 178.771 176.117 0.114 0.000 1.115 95 I CA 1.401 62.783 61.300 0.136 0.000 1.392 95 I CB -0.246 37.822 38.000 0.113 0.000 1.065 95 I HN 0.351 nan 8.210 nan 0.000 0.418 96 E N 1.271 121.522 120.200 0.085 0.000 2.106 96 E HA -0.262 4.088 4.350 0.001 0.000 0.192 96 E C 2.399 179.053 176.600 0.089 0.000 0.984 96 E CA 0.891 57.329 56.400 0.064 0.000 0.806 96 E CB -0.028 29.703 29.700 0.052 0.000 0.750 96 E HN 0.257 nan 8.360 nan 0.000 0.458 97 R N 0.341 120.900 120.500 0.099 0.000 2.103 97 R HA -0.153 4.187 4.340 0.001 0.000 0.242 97 R C 0.375 176.758 176.300 0.138 0.000 1.142 97 R CA 1.880 58.043 56.100 0.106 0.000 0.960 97 R CB -0.019 30.337 30.300 0.092 0.000 0.858 97 R HN 0.150 nan 8.270 nan 0.000 0.439 98 D N -0.423 120.082 120.400 0.175 0.000 2.491 98 D HA 0.025 4.666 4.640 0.001 0.000 0.228 98 D C 1.067 177.516 176.300 0.249 0.000 1.183 98 D CA -0.044 54.098 54.000 0.237 0.000 0.827 98 D CB 0.256 41.258 40.800 0.338 0.000 0.989 98 D HN 0.254 nan 8.370 nan 0.000 0.494 99 R N 0.399 121.009 120.500 0.183 0.000 2.083 99 R HA -0.122 4.219 4.340 0.001 0.000 0.237 99 R C 1.436 177.879 176.300 0.238 0.000 1.137 99 R CA 1.529 57.700 56.100 0.118 0.000 0.951 99 R CB -0.044 30.242 30.300 -0.024 0.000 0.851 99 R HN -0.037 nan 8.270 nan 0.000 0.434 100 T N 0.101 114.887 114.554 0.386 0.000 2.746 100 T HA -0.203 4.147 4.350 0.001 0.000 0.267 100 T C 1.340 176.284 174.700 0.405 0.000 1.039 100 T CA 1.592 63.997 62.100 0.509 0.000 1.142 100 T CB -0.451 68.656 68.868 0.398 0.000 0.866 100 T HN 0.416 nan 8.240 nan 0.000 0.444 101 Y N 1.638 122.050 120.300 0.187 0.000 2.133 101 Y HA 0.012 4.563 4.550 0.001 0.000 0.287 101 Y C 2.031 177.978 175.900 0.079 0.000 1.134 101 Y CA 0.998 59.155 58.100 0.096 0.000 1.133 101 Y CB -0.595 37.870 38.460 0.009 0.000 0.987 101 Y HN 0.080 nan 8.280 nan 0.000 0.502 102 L N 0.011 121.213 121.223 -0.036 0.000 2.079 102 L HA -0.256 4.084 4.340 0.001 0.000 0.210 102 L C 2.779 179.621 176.870 -0.047 0.000 1.081 102 L CA 1.226 55.992 54.840 -0.123 0.000 0.752 102 L CB -0.950 41.158 42.059 0.080 0.000 0.896 102 L HN 0.422 nan 8.230 nan 0.000 0.433 103 A N -0.125 122.757 122.820 0.103 0.000 1.902 103 A HA -0.200 4.121 4.320 0.001 0.000 0.217 103 A C 2.505 180.259 177.584 0.283 0.000 1.181 103 A CA 1.848 53.995 52.037 0.183 0.000 0.623 103 A CB -0.693 18.475 19.000 0.280 0.000 0.818 103 A HN 0.424 nan 8.150 nan 0.000 0.443 104 A N -0.727 122.301 122.820 0.346 0.000 1.898 104 A HA 0.020 4.341 4.320 0.001 0.000 0.216 104 A C 2.112 179.789 177.584 0.154 0.000 1.181 104 A CA 1.660 53.911 52.037 0.355 0.000 0.620 104 A CB -0.601 18.509 19.000 0.183 0.000 0.819 104 A HN 0.670 nan 8.150 nan 0.000 0.442 105 L N -0.001 121.142 121.223 -0.133 0.000 2.083 105 L HA -0.110 4.230 4.340 0.001 0.000 0.209 105 L C 2.172 178.998 176.870 -0.073 0.000 1.083 105 L CA 2.636 57.361 54.840 -0.192 0.000 0.752 105 L CB -0.667 41.103 42.059 -0.481 0.000 0.899 105 L HN 0.521 nan 8.230 nan 0.000 0.433 106 E N -1.004 119.167 120.200 -0.050 0.000 2.051 106 E HA -0.200 4.151 4.350 0.001 0.000 0.192 106 E C 2.045 178.623 176.600 -0.037 0.000 0.991 106 E CA 2.092 58.479 56.400 -0.022 0.000 0.799 106 E CB -0.365 29.331 29.700 -0.006 0.000 0.748 106 E HN 0.469 nan 8.360 nan 0.000 0.449 107 T N 0.634 115.158 114.554 -0.049 0.000 2.746 107 T HA -0.135 4.215 4.350 0.001 0.000 0.267 107 T C 1.696 176.307 174.700 -0.147 0.000 1.039 107 T CA 1.153 63.148 62.100 -0.176 0.000 1.142 107 T CB -0.343 68.276 68.868 -0.414 0.000 0.866 107 T HN 0.122 nan 8.240 nan 0.000 0.444 108 L N 1.162 122.385 121.223 0.000 0.000 2.083 108 L HA -0.071 4.270 4.340 0.001 0.000 0.209 108 L C 1.914 178.790 176.870 0.011 0.000 1.083 108 L CA 1.850 56.742 54.840 0.087 0.000 0.752 108 L CB -0.340 41.804 42.059 0.142 0.000 0.899 108 L HN 0.077 nan 8.230 nan 0.000 0.433 109 D N -1.880 118.515 120.400 -0.008 0.000 2.327 109 D HA -0.100 4.541 4.640 0.001 0.000 0.205 109 D C 1.812 178.102 176.300 -0.017 0.000 0.989 109 D CA 0.534 54.531 54.000 -0.005 0.000 0.873 109 D CB 0.125 40.931 40.800 0.010 0.000 0.955 109 D HN 0.410 nan 8.370 nan 0.000 0.515 110 N N -0.853 117.824 118.700 -0.038 0.000 2.510 110 N HA 0.018 4.758 4.740 0.001 0.000 0.186 110 N C 1.358 176.810 175.510 -0.097 0.000 1.051 110 N CA 1.490 54.512 53.050 -0.047 0.000 0.877 110 N CB 1.044 39.512 38.487 -0.033 0.000 1.183 110 N HN 0.210 nan 8.380 nan 0.000 0.443 111 G N 1.543 110.268 108.800 -0.125 0.000 2.238 111 G HA2 -0.255 3.706 3.960 0.001 0.000 0.217 111 G HA3 -0.255 3.706 3.960 0.001 0.000 0.217 111 G C -0.094 174.704 174.900 -0.170 0.000 0.996 111 G CA 0.341 45.345 45.100 -0.159 0.000 0.632 111 G HN 0.667 nan 8.290 nan 0.000 0.503 112 K N 1.209 121.505 120.400 -0.174 0.000 2.380 112 K HA 0.442 4.762 4.320 0.001 0.000 0.267 112 K C -2.688 173.809 176.600 -0.172 0.000 0.990 112 K CA -1.107 55.067 56.287 -0.187 0.000 0.946 112 K CB 0.380 32.748 32.500 -0.221 0.000 0.937 112 K HN 0.100 nan 8.250 nan 0.000 0.491 113 P HA -0.103 nan 4.420 nan 0.000 0.264 113 P C -0.334 176.927 177.300 -0.064 0.000 1.193 113 P CA -0.059 62.985 63.100 -0.093 0.000 0.763 113 P CB 0.152 31.830 31.700 -0.038 0.000 0.810 114 Y N 4.549 124.726 120.300 -0.205 0.000 2.256 114 Y HA -0.245 4.305 4.550 0.001 0.000 0.288 114 Y C 1.692 177.617 175.900 0.041 0.000 1.155 114 Y CA 1.725 59.761 58.100 -0.107 0.000 1.203 114 Y CB -0.745 37.680 38.460 -0.059 0.000 0.980 114 Y HN 0.080 nan 8.280 nan 0.000 0.530 115 V N 0.269 120.146 119.914 -0.062 0.000 2.427 115 V HA -0.301 3.820 4.120 0.001 0.000 0.248 115 V C 2.312 178.384 176.094 -0.037 0.000 1.051 115 V CA 1.689 63.933 62.300 -0.094 0.000 1.048 115 V CB -0.570 31.267 31.823 0.022 0.000 0.666 115 V HN 0.418 nan 8.190 nan 0.000 0.456 116 I N -0.205 120.367 120.570 0.004 0.000 2.333 116 I HA -0.107 4.063 4.170 0.001 0.000 0.246 116 I C 2.589 178.731 176.117 0.041 0.000 1.106 116 I CA 1.209 62.551 61.300 0.070 0.000 1.411 116 I CB -1.443 36.605 38.000 0.081 0.000 1.082 116 I HN 0.254 nan 8.210 nan 0.000 0.420 117 S N 0.445 116.130 115.700 -0.025 0.000 2.365 117 S HA -0.261 4.210 4.470 0.001 0.000 0.225 117 S C 2.048 176.624 174.600 -0.039 0.000 1.039 117 S CA 1.714 59.899 58.200 -0.025 0.000 1.033 117 S CB -0.540 62.647 63.200 -0.022 0.000 0.887 117 S HN 0.463 nan 8.310 nan 0.000 0.447 118 Y N 1.339 121.481 120.300 -0.264 0.000 2.153 118 Y HA 0.061 4.612 4.550 0.001 0.000 0.289 118 Y C 1.949 177.788 175.900 -0.101 0.000 1.127 118 Y CA 1.359 59.312 58.100 -0.245 0.000 1.131 118 Y CB -0.165 38.004 38.460 -0.485 0.000 0.995 118 Y HN 0.119 nan 8.280 nan 0.000 0.505 119 L N -1.456 119.832 121.223 0.108 0.000 2.270 119 L HA -0.062 4.279 4.340 0.001 0.000 0.210 119 L C 1.662 178.563 176.870 0.051 0.000 1.104 119 L CA 0.284 55.183 54.840 0.098 0.000 0.804 119 L CB -0.148 41.993 42.059 0.137 0.000 0.937 119 L HN 0.148 nan 8.230 nan 0.000 0.450 120 V N -0.840 119.117 119.914 0.073 0.000 2.695 120 V HA -0.061 4.059 4.120 0.001 0.000 0.230 120 V C 1.693 177.822 176.094 0.058 0.000 1.110 120 V CA 0.970 63.330 62.300 0.100 0.000 1.159 120 V CB -0.338 31.620 31.823 0.225 0.000 0.875 120 V HN 0.183 nan 8.190 nan 0.000 0.502 121 D N 0.863 121.309 120.400 0.076 0.000 2.127 121 D HA -0.192 4.449 4.640 0.001 0.000 0.190 121 D C 2.049 178.343 176.300 -0.010 0.000 1.000 121 D CA 1.393 55.418 54.000 0.042 0.000 0.839 121 D CB -0.271 40.569 40.800 0.067 0.000 0.955 121 D HN 0.100 nan 8.370 nan 0.000 0.446 122 L N 0.542 121.736 121.223 -0.048 0.000 2.141 122 L HA -0.134 4.206 4.340 0.001 0.000 0.209 122 L C 1.896 178.725 176.870 -0.068 0.000 1.094 122 L CA 1.504 56.296 54.840 -0.079 0.000 0.763 122 L CB -0.937 41.014 42.059 -0.180 0.000 0.908 122 L HN 0.078 nan 8.230 nan 0.000 0.437 123 D N -0.307 120.050 120.400 -0.071 0.000 2.117 123 D HA -0.201 4.439 4.640 0.001 0.000 0.197 123 D C 2.324 178.636 176.300 0.019 0.000 0.987 123 D CA 1.256 55.237 54.000 -0.031 0.000 0.829 123 D CB 0.122 40.912 40.800 -0.017 0.000 0.961 123 D HN 0.187 nan 8.370 nan 0.000 0.460 124 M N -0.693 118.923 119.600 0.027 0.000 2.319 124 M HA -0.075 4.405 4.480 0.001 0.000 0.265 124 M C 2.119 178.480 176.300 0.103 0.000 1.068 124 M CA 0.442 55.783 55.300 0.067 0.000 1.118 124 M CB 0.184 32.805 32.600 0.034 0.000 1.395 124 M HN -0.042 nan 8.290 nan 0.000 0.435 125 V N 0.974 120.924 119.914 0.060 0.000 2.295 125 V HA -0.250 3.871 4.120 0.001 0.000 0.246 125 V C 2.278 178.440 176.094 0.113 0.000 1.049 125 V CA 1.639 63.990 62.300 0.085 0.000 1.024 125 V CB -0.615 31.236 31.823 0.047 0.000 0.648 125 V HN 0.444 nan 8.190 nan 0.000 0.447 126 L N -0.535 120.736 121.223 0.080 0.000 2.017 126 L HA -0.198 4.143 4.340 0.001 0.000 0.208 126 L C 2.597 179.535 176.870 0.114 0.000 1.073 126 L CA 1.782 56.673 54.840 0.086 0.000 0.745 126 L CB -0.669 41.419 42.059 0.050 0.000 0.894 126 L HN 0.252 nan 8.230 nan 0.000 0.432 127 K N -0.787 119.678 120.400 0.109 0.000 2.097 127 K HA -0.212 4.109 4.320 0.001 0.000 0.206 127 K C 2.311 179.019 176.600 0.181 0.000 1.049 127 K CA 1.595 57.955 56.287 0.121 0.000 0.933 127 K CB -0.503 32.050 32.500 0.089 0.000 0.717 127 K HN 0.399 nan 8.250 nan 0.000 0.442 128 C N 1.296 120.730 119.300 0.224 0.000 2.436 128 C HA -0.093 4.368 4.460 0.001 0.000 0.277 128 C C 2.462 177.691 174.990 0.398 0.000 1.241 128 C CA 0.735 59.953 59.018 0.333 0.000 1.721 128 C CB -0.930 27.063 27.740 0.421 0.000 2.043 128 C HN 0.402 nan 8.230 nan 0.000 0.472 129 L N 0.167 121.569 121.223 0.297 0.000 2.046 129 L HA -0.107 4.233 4.340 0.001 0.000 0.208 129 L C 3.012 180.027 176.870 0.243 0.000 1.077 129 L CA 1.663 56.665 54.840 0.270 0.000 0.747 129 L CB -0.682 41.492 42.059 0.192 0.000 0.896 129 L HN 0.358 nan 8.230 nan 0.000 0.432 130 R N -1.310 119.305 120.500 0.193 0.000 2.092 130 R HA -0.190 4.151 4.340 0.001 0.000 0.231 130 R C 2.268 178.643 176.300 0.124 0.000 1.119 130 R CA 1.387 57.570 56.100 0.138 0.000 0.970 130 R CB -0.404 29.960 30.300 0.105 0.000 0.864 130 R HN 0.270 nan 8.270 nan 0.000 0.440 131 Y N 0.091 120.409 120.300 0.030 0.000 2.145 131 Y HA -0.260 4.291 4.550 0.001 0.000 0.286 131 Y C 1.576 177.427 175.900 -0.082 0.000 1.145 131 Y CA 1.518 59.569 58.100 -0.081 0.000 1.148 131 Y CB -0.327 38.047 38.460 -0.144 0.000 0.981 131 Y HN 0.002 nan 8.280 nan 0.000 0.507 132 Y N -0.395 120.006 120.300 0.168 0.000 2.439 132 Y HA -0.042 4.509 4.550 0.001 0.000 0.292 132 Y C 2.550 178.502 175.900 0.087 0.000 1.130 132 Y CA 0.614 58.799 58.100 0.141 0.000 1.254 132 Y CB -0.519 38.064 38.460 0.205 0.000 1.000 132 Y HN 0.263 nan 8.280 nan 0.000 0.554 133 A N 0.163 123.095 122.820 0.186 0.000 1.940 133 A HA -0.193 4.128 4.320 0.001 0.000 0.219 133 A C 2.491 180.096 177.584 0.035 0.000 1.176 133 A CA 1.881 53.991 52.037 0.121 0.000 0.631 133 A CB -1.374 17.680 19.000 0.091 0.000 0.814 133 A HN 0.468 nan 8.150 nan 0.000 0.446 134 G N -2.811 105.937 108.800 -0.086 0.000 2.534 134 G HA2 -0.145 3.816 3.960 0.001 0.000 0.217 134 G HA3 -0.145 3.816 3.960 0.001 0.000 0.217 134 G C 1.273 176.029 174.900 -0.239 0.000 1.128 134 G CA 0.532 45.505 45.100 -0.211 0.000 0.784 134 G HN 0.682 nan 8.290 nan 0.000 0.542 135 W N 0.493 121.689 121.300 -0.174 0.000 2.770 135 W HA 0.319 4.979 4.660 0.001 0.000 0.256 135 W C 2.677 179.175 176.519 -0.035 0.000 1.291 135 W CA 0.143 57.411 57.345 -0.127 0.000 1.396 135 W CB 0.391 29.783 29.460 -0.113 0.000 1.114 135 W HN 0.237 nan 8.180 nan 0.000 0.637 136 A N 1.131 124.084 122.820 0.221 0.000 1.903 136 A HA -0.283 4.038 4.320 0.001 0.000 0.219 136 A C 1.288 178.945 177.584 0.122 0.000 1.191 136 A CA 2.380 54.512 52.037 0.157 0.000 0.638 136 A CB -0.852 18.212 19.000 0.107 0.000 0.823 136 A HN 0.340 nan 8.150 nan 0.000 0.451 137 D N -2.231 118.220 120.400 0.084 0.000 2.643 137 D HA 0.256 4.897 4.640 0.001 0.000 0.244 137 D C 0.400 176.706 176.300 0.009 0.000 1.257 137 D CA -0.072 53.956 54.000 0.048 0.000 0.831 137 D CB 0.142 40.960 40.800 0.031 0.000 1.043 137 D HN 0.480 nan 8.370 nan 0.000 0.488 138 K N -0.717 119.705 120.400 0.036 0.000 2.517 138 K HA 0.046 4.366 4.320 0.001 0.000 0.210 138 K C -0.520 175.990 176.600 -0.150 0.000 1.166 138 K CA -0.474 55.745 56.287 -0.113 0.000 1.030 138 K CB 0.866 33.363 32.500 -0.006 0.000 0.974 138 K HN -0.026 nan 8.250 nan 0.000 0.585 139 Y N 2.866 123.103 120.300 -0.105 0.000 2.714 139 Y HA 0.165 4.715 4.550 0.001 0.000 0.333 139 Y C -0.424 175.394 175.900 -0.137 0.000 1.220 139 Y CA -1.161 56.900 58.100 -0.066 0.000 1.513 139 Y CB -0.824 37.637 38.460 0.002 0.000 1.435 139 Y HN 0.065 nan 8.280 nan 0.000 0.489 140 H N 1.127 120.106 119.070 -0.152 0.000 2.690 140 H HA 0.421 4.978 4.556 0.001 0.000 0.365 140 H C 0.900 175.813 175.328 -0.691 0.000 1.142 140 H CA 0.322 56.205 56.048 -0.275 0.000 1.417 140 H CB 0.854 30.529 29.762 -0.145 0.000 1.446 140 H HN 0.726 nan 8.280 nan 0.000 0.599 141 G N 0.669 109.184 108.800 -0.475 0.000 2.510 141 G HA2 0.426 4.387 3.960 0.001 0.000 0.280 141 G HA3 0.426 4.387 3.960 0.001 0.000 0.280 141 G C -0.771 173.992 174.900 -0.228 0.000 1.386 141 G CA -0.849 43.878 45.100 -0.622 0.000 1.047 141 G HN 0.533 nan 8.290 nan 0.000 0.527 142 K N -0.502 119.840 120.400 -0.095 0.000 2.318 142 K HA 0.521 4.842 4.320 0.001 0.000 0.249 142 K C -0.628 176.014 176.600 0.071 0.000 0.942 142 K CA -0.648 55.632 56.287 -0.011 0.000 0.808 142 K CB 2.088 34.590 32.500 0.004 0.000 1.189 142 K HN 0.613 nan 8.250 nan 0.000 0.428 143 T N -0.763 113.845 114.554 0.090 0.000 2.829 143 T HA 0.614 4.964 4.350 0.001 0.000 0.282 143 T C 0.049 174.831 174.700 0.138 0.000 0.990 143 T CA -0.741 61.468 62.100 0.181 0.000 1.028 143 T CB 0.271 69.288 68.868 0.248 0.000 0.951 143 T HN 0.393 nan 8.240 nan 0.000 0.460 144 I N 4.297 124.958 120.570 0.151 0.000 2.418 144 I HA 0.327 4.497 4.170 0.001 0.000 0.287 144 I C -2.031 174.157 176.117 0.119 0.000 1.008 144 I CA -2.808 58.550 61.300 0.098 0.000 1.104 144 I CB 2.655 40.686 38.000 0.052 0.000 1.264 144 I HN 0.491 nan 8.210 nan 0.000 0.438 145 P HA 0.148 nan 4.420 nan 0.000 0.232 145 P C 0.135 177.488 177.300 0.089 0.000 1.738 145 P CA 0.123 63.279 63.100 0.093 0.000 0.948 145 P CB -0.035 31.704 31.700 0.064 0.000 1.943 146 I N 0.781 121.414 120.570 0.106 0.000 2.892 146 I HA -0.001 4.169 4.170 0.001 0.000 0.287 146 I C 0.387 176.584 176.117 0.132 0.000 1.205 146 I CA -0.024 61.334 61.300 0.097 0.000 1.409 146 I CB 0.581 38.631 38.000 0.084 0.000 1.367 146 I HN -0.008 nan 8.210 nan 0.000 0.597 147 D N 4.693 125.162 120.400 0.115 0.000 2.400 147 D HA 0.411 5.052 4.640 0.001 0.000 0.238 147 D C 0.383 176.828 176.300 0.242 0.000 1.157 147 D CA 1.308 55.387 54.000 0.132 0.000 0.889 147 D CB 0.769 41.628 40.800 0.097 0.000 1.199 147 D HN 0.926 nan 8.370 nan 0.000 0.436 148 G N 1.711 110.615 108.800 0.174 0.000 2.728 148 G HA2 -0.192 3.769 3.960 0.001 0.000 0.294 148 G HA3 -0.192 3.769 3.960 0.001 0.000 0.294 148 G C -0.745 174.131 174.900 -0.040 0.000 1.342 148 G CA -0.685 44.494 45.100 0.132 0.000 0.866 148 G HN 0.503 nan 8.290 nan 0.000 0.534 149 D N 1.025 121.172 120.400 -0.421 0.000 2.713 149 D HA 0.490 5.130 4.640 0.001 0.000 0.229 149 D C -0.103 175.754 176.300 -0.740 0.000 1.136 149 D CA 0.816 54.540 54.000 -0.459 0.000 1.010 149 D CB -0.483 40.081 40.800 -0.392 0.000 1.084 149 D HN 0.273 nan 8.370 nan 0.000 0.495 150 F N 0.310 120.305 119.950 0.076 0.000 2.603 150 F HA 0.414 4.941 4.527 0.001 0.000 0.317 150 F C -0.303 175.615 175.800 0.197 0.000 1.066 150 F CA -1.486 56.577 58.000 0.105 0.000 0.941 150 F CB 1.676 40.711 39.000 0.059 0.000 1.291 150 F HN -0.149 nan 8.300 nan 0.000 0.472 151 F N 2.058 122.154 119.950 0.244 0.000 2.402 151 F HA 0.661 5.188 4.527 0.000 0.000 0.355 151 F C -0.568 175.357 175.800 0.208 0.000 1.123 151 F CA -1.097 57.017 58.000 0.190 0.000 1.021 151 F CB 1.113 40.210 39.000 0.162 0.000 1.160 151 F HN 0.274 nan 8.300 nan 0.000 0.451 152 S N 6.695 122.397 115.700 0.004 0.000 2.500 152 S HA 0.819 5.290 4.470 0.001 0.000 0.301 152 S C -1.434 173.052 174.600 -0.190 0.000 1.092 152 S CA -0.282 57.797 58.200 -0.202 0.000 1.030 152 S CB 0.745 63.902 63.200 -0.072 0.000 1.031 152 S HN 0.707 nan 8.310 nan 0.000 0.483 153 Y N -0.047 120.030 120.300 -0.371 0.000 2.638 153 Y HA 0.765 5.315 4.550 0.001 0.000 0.335 153 Y C -0.617 175.195 175.900 -0.146 0.000 1.155 153 Y CA -1.070 56.885 58.100 -0.242 0.000 1.046 153 Y CB 0.838 39.113 38.460 -0.308 0.000 1.303 153 Y HN 0.551 nan 8.280 nan 0.000 0.460 154 T N -0.313 114.290 114.554 0.080 0.000 2.856 154 T HA 0.705 5.055 4.350 0.001 0.000 0.283 154 T C -0.833 173.953 174.700 0.142 0.000 1.008 154 T CA -1.061 61.066 62.100 0.045 0.000 0.997 154 T CB 1.783 70.701 68.868 0.083 0.000 0.992 154 T HN 0.804 nan 8.240 nan 0.000 0.454 155 R N 1.109 121.692 120.500 0.138 0.000 2.460 155 R HA 0.340 4.681 4.340 0.001 0.000 0.303 155 R C -0.336 176.118 176.300 0.257 0.000 0.968 155 R CA -0.708 55.488 56.100 0.160 0.000 0.889 155 R CB 1.008 31.391 30.300 0.138 0.000 1.123 155 R HN 0.732 nan 8.270 nan 0.000 0.455 156 H N 2.362 121.454 119.070 0.036 0.000 2.787 156 H HA 0.124 4.681 4.556 0.001 0.000 0.275 156 H C -0.307 175.080 175.328 0.099 0.000 1.183 156 H CA -0.377 55.702 56.048 0.051 0.000 1.290 156 H CB 0.878 30.640 29.762 -0.001 0.000 1.438 156 H HN 0.401 nan 8.280 nan 0.000 0.487 157 E N 3.836 124.152 120.200 0.193 0.000 2.280 157 E HA 0.224 4.575 4.350 0.001 0.000 0.264 157 E C -2.420 174.300 176.600 0.199 0.000 1.064 157 E CA -2.234 54.267 56.400 0.169 0.000 0.900 157 E CB 0.857 30.640 29.700 0.139 0.000 1.123 157 E HN 0.374 nan 8.360 nan 0.000 0.418 158 P HA -0.020 nan 4.420 nan 0.000 0.275 158 P C 0.567 178.032 177.300 0.274 0.000 1.227 158 P CA -0.055 63.231 63.100 0.311 0.000 0.781 158 P CB 0.735 32.736 31.700 0.501 0.000 0.906 159 V N 1.597 121.603 119.914 0.154 0.000 2.407 159 V HA -0.032 4.089 4.120 0.001 0.000 0.248 159 V C 1.500 177.553 176.094 -0.070 0.000 1.055 159 V CA 2.676 65.008 62.300 0.053 0.000 1.049 159 V CB -1.442 30.387 31.823 0.011 0.000 0.662 159 V HN 1.049 nan 8.190 nan 0.000 0.455 160 G N -1.124 107.497 108.800 -0.298 0.000 2.254 160 G HA2 -0.122 3.838 3.960 0.001 0.000 0.193 160 G HA3 -0.122 3.838 3.960 0.001 0.000 0.193 160 G C -0.573 173.887 174.900 -0.733 0.000 1.233 160 G CA -0.260 44.217 45.100 -1.038 0.000 1.290 160 G HN 0.210 nan 8.290 nan 0.000 0.517 161 V N 1.232 120.853 119.914 -0.487 0.000 2.405 161 V HA 0.419 4.540 4.120 0.001 0.000 0.264 161 V C 0.319 176.333 176.094 -0.133 0.000 1.048 161 V CA -0.222 61.923 62.300 -0.259 0.000 0.966 161 V CB 0.322 32.029 31.823 -0.192 0.000 1.015 161 V HN 0.805 nan 8.190 nan 0.000 0.477 162 C N 4.959 124.221 119.300 -0.062 0.000 2.264 162 C HA 0.686 5.147 4.460 0.001 0.000 0.324 162 C C 1.091 176.095 174.990 0.024 0.000 1.267 162 C CA -0.957 58.078 59.018 0.027 0.000 1.618 162 C CB 0.206 28.055 27.740 0.181 0.000 2.278 162 C HN 0.993 nan 8.230 nan 0.000 0.499 163 G N 2.939 111.751 108.800 0.020 0.000 2.372 163 G HA2 0.530 4.491 3.960 0.001 0.000 0.283 163 G HA3 0.530 4.491 3.960 0.001 0.000 0.283 163 G C -0.852 174.092 174.900 0.074 0.000 1.177 163 G CA -0.120 44.997 45.100 0.029 0.000 0.842 163 G HN 0.808 nan 8.290 nan 0.000 0.503 164 Q N 1.179 121.026 119.800 0.079 0.000 2.274 164 Q HA 0.390 4.731 4.340 0.001 0.000 0.268 164 Q C -0.921 175.141 176.000 0.103 0.000 1.015 164 Q CA -0.428 55.436 55.803 0.103 0.000 0.775 164 Q CB 2.718 31.514 28.738 0.096 0.000 1.256 164 Q HN 0.525 nan 8.270 nan 0.000 0.442 165 I N 4.679 125.330 120.570 0.135 0.000 2.362 165 I HA 0.474 4.645 4.170 0.001 0.000 0.289 165 I C -0.140 176.000 176.117 0.038 0.000 0.994 165 I CA -0.833 60.556 61.300 0.150 0.000 1.158 165 I CB 0.947 39.147 38.000 0.334 0.000 1.315 165 I HN 0.527 nan 8.210 nan 0.000 0.451 166 I N 4.813 125.397 120.570 0.024 0.000 2.603 166 I HA 0.748 4.918 4.170 0.001 0.000 0.300 166 I C -2.693 173.394 176.117 -0.051 0.000 1.017 166 I CA -2.300 58.978 61.300 -0.038 0.000 1.098 166 I CB 1.764 39.767 38.000 0.004 0.000 1.279 166 I HN 0.207 nan 8.210 nan 0.000 0.437 167 P HA 0.183 nan 4.420 nan 0.000 0.302 167 P C -0.137 177.104 177.300 -0.098 0.000 1.307 167 P CA -0.312 62.656 63.100 -0.221 0.000 0.754 167 P CB 0.257 31.719 31.700 -0.397 0.000 1.298 168 W N -0.154 121.156 121.300 0.018 0.000 3.127 168 W HA 0.114 4.774 4.660 0.001 0.000 0.344 168 W C 0.617 177.102 176.519 -0.056 0.000 1.151 168 W CA 0.089 57.434 57.345 0.001 0.000 1.765 168 W CB -1.212 28.256 29.460 0.014 0.000 1.085 168 W HN 0.225 nan 8.180 nan 0.000 0.596 169 N N 2.004 120.540 118.700 -0.274 0.000 2.250 169 N HA -0.127 4.613 4.740 0.001 0.000 0.181 169 N C -0.129 175.019 175.510 -0.602 0.000 1.017 169 N CA 0.678 53.508 53.050 -0.367 0.000 0.866 169 N CB -1.085 37.049 38.487 -0.588 0.000 0.985 169 N HN 0.072 nan 8.380 nan 0.000 0.429 170 F N 0.099 119.955 119.950 -0.157 0.000 2.660 170 F HA 0.457 4.984 4.527 0.001 0.000 0.352 170 F C -1.763 173.943 175.800 -0.158 0.000 1.257 170 F CA -2.118 55.768 58.000 -0.190 0.000 1.200 170 F CB 2.160 40.955 39.000 -0.343 0.000 1.473 170 F HN -0.147 nan 8.300 nan 0.000 0.561 171 P HA -0.188 nan 4.420 nan 0.000 0.213 171 P C 1.929 179.244 177.300 0.025 0.000 1.170 171 P CA 1.562 64.690 63.100 0.047 0.000 0.902 171 P CB 0.440 32.178 31.700 0.063 0.000 0.789 172 L N -1.861 119.375 121.223 0.022 0.000 2.056 172 L HA -0.142 4.198 4.340 0.001 0.000 0.207 172 L C 2.440 179.286 176.870 -0.040 0.000 1.078 172 L CA 0.911 55.758 54.840 0.012 0.000 0.749 172 L CB -0.892 41.182 42.059 0.026 0.000 0.901 172 L HN -0.028 nan 8.230 nan 0.000 0.433 173 L N -0.787 120.370 121.223 -0.110 0.000 2.093 173 L HA -0.192 4.149 4.340 0.001 0.000 0.208 173 L C 2.448 179.045 176.870 -0.455 0.000 1.085 173 L CA 1.736 56.385 54.840 -0.318 0.000 0.755 173 L CB -0.368 41.371 42.059 -0.533 0.000 0.904 173 L HN 0.172 nan 8.230 nan 0.000 0.435 174 M N -1.023 118.383 119.600 -0.324 0.000 2.175 174 M HA -0.217 4.264 4.480 0.001 0.000 0.264 174 M C 2.239 178.529 176.300 -0.017 0.000 1.063 174 M CA 1.563 56.746 55.300 -0.195 0.000 1.119 174 M CB -1.180 31.356 32.600 -0.107 0.000 1.377 174 M HN 0.501 nan 8.290 nan 0.000 0.415 175 Q N 0.116 119.907 119.800 -0.015 0.000 2.050 175 Q HA -0.145 4.196 4.340 0.001 0.000 0.202 175 Q C 2.017 178.041 176.000 0.040 0.000 0.980 175 Q CA 2.136 57.949 55.803 0.017 0.000 0.840 175 Q CB -0.033 28.713 28.738 0.014 0.000 0.898 175 Q HN 0.473 nan 8.270 nan 0.000 0.424 176 A N -0.135 122.720 122.820 0.059 0.000 1.930 176 A HA -0.166 4.154 4.320 0.001 0.000 0.217 176 A C 1.535 179.272 177.584 0.255 0.000 1.175 176 A CA 1.134 53.250 52.037 0.131 0.000 0.627 176 A CB -1.085 18.007 19.000 0.153 0.000 0.815 176 A HN 0.644 nan 8.150 nan 0.000 0.443 177 W N 0.547 121.851 121.300 0.007 0.000 2.387 177 W HA -0.049 4.612 4.660 0.001 0.000 0.272 177 W C 2.048 178.541 176.519 -0.043 0.000 1.224 177 W CA 1.261 58.615 57.345 0.015 0.000 1.210 177 W CB -0.119 29.356 29.460 0.025 0.000 1.125 177 W HN 0.289 nan 8.180 nan 0.000 0.572 178 K N -0.676 119.819 120.400 0.158 0.000 2.168 178 K HA 0.115 4.436 4.320 0.001 0.000 0.201 178 K C 2.008 178.518 176.600 -0.150 0.000 1.049 178 K CA 0.580 56.888 56.287 0.035 0.000 0.974 178 K CB -0.712 31.832 32.500 0.073 0.000 0.792 178 K HN 0.201 nan 8.250 nan 0.000 0.463 179 L N 0.437 121.595 121.223 -0.108 0.000 2.131 179 L HA -0.028 4.312 4.340 0.001 0.000 0.206 179 L C 2.483 179.234 176.870 -0.199 0.000 1.087 179 L CA 1.087 55.825 54.840 -0.169 0.000 0.767 179 L CB -0.885 41.094 42.059 -0.134 0.000 0.917 179 L HN 0.249 nan 8.230 nan 0.000 0.441 180 G N 1.384 110.089 108.800 -0.158 0.000 2.545 180 G HA2 -0.232 3.729 3.960 0.001 0.000 0.217 180 G HA3 -0.232 3.729 3.960 0.001 0.000 0.217 180 G C -0.539 174.098 174.900 -0.438 0.000 1.218 180 G CA 1.075 46.081 45.100 -0.158 0.000 0.787 180 G HN 0.298 nan 8.290 nan 0.000 0.571 181 P HA -0.039 nan 4.420 nan 0.000 0.215 181 P C 2.142 179.081 177.300 -0.603 0.000 1.157 181 P CA 2.149 64.752 63.100 -0.828 0.000 0.863 181 P CB -0.259 30.984 31.700 -0.761 0.000 0.787 182 A N 0.410 122.700 122.820 -0.884 0.000 1.883 182 A HA -0.152 4.169 4.320 0.001 0.000 0.217 182 A C 2.502 179.985 177.584 -0.169 0.000 1.186 182 A CA 1.650 53.233 52.037 -0.758 0.000 0.624 182 A CB -1.647 16.902 19.000 -0.751 0.000 0.822 182 A HN 0.116 nan 8.150 nan 0.000 0.444 183 L N -1.056 120.124 121.223 -0.072 0.000 2.109 183 L HA -0.120 4.221 4.340 0.001 0.000 0.207 183 L C 3.078 180.130 176.870 0.303 0.000 1.086 183 L CA 0.863 55.846 54.840 0.237 0.000 0.760 183 L CB -0.608 41.548 42.059 0.163 0.000 0.910 183 L HN 0.446 nan 8.230 nan 0.000 0.437 184 A N 0.245 123.153 122.820 0.147 0.000 1.978 184 A HA -0.202 4.119 4.320 0.001 0.000 0.220 184 A C 2.176 179.834 177.584 0.123 0.000 1.170 184 A CA 2.238 54.374 52.037 0.165 0.000 0.636 184 A CB -0.807 18.311 19.000 0.196 0.000 0.810 184 A HN 0.520 nan 8.150 nan 0.000 0.448 185 T N -4.629 109.977 114.554 0.088 0.000 3.122 185 T HA 0.437 4.788 4.350 0.001 0.000 0.250 185 T C 1.183 175.965 174.700 0.136 0.000 1.067 185 T CA 0.925 63.087 62.100 0.103 0.000 0.966 185 T CB 0.153 69.073 68.868 0.087 0.000 1.002 185 T HN 1.689 nan 8.240 nan 0.000 0.542 186 G N 1.638 110.533 108.800 0.159 0.000 2.132 186 G HA2 -0.234 3.727 3.960 0.001 0.000 0.234 186 G HA3 -0.234 3.727 3.960 0.001 0.000 0.234 186 G C -0.062 175.151 174.900 0.521 0.000 0.989 186 G CA -0.337 44.828 45.100 0.109 0.000 0.676 186 G HN 0.579 nan 8.290 nan 0.000 0.522 187 N N -0.481 118.524 118.700 0.508 0.000 2.408 187 N HA 0.568 5.309 4.740 0.001 0.000 0.260 187 N C 0.535 176.321 175.510 0.459 0.000 1.242 187 N CA 0.548 53.855 53.050 0.428 0.000 0.959 187 N CB 1.860 40.466 38.487 0.199 0.000 1.201 187 N HN 0.751 nan 8.380 nan 0.000 0.511 188 V N -2.136 117.886 119.914 0.181 0.000 2.815 188 V HA 0.716 4.836 4.120 0.001 0.000 0.314 188 V C -0.190 175.872 176.094 -0.054 0.000 1.064 188 V CA -0.739 61.572 62.300 0.019 0.000 0.952 188 V CB 1.741 33.592 31.823 0.047 0.000 1.020 188 V HN 0.241 nan 8.190 nan 0.000 0.439 189 V N 3.093 122.951 119.914 -0.094 0.000 2.656 189 V HA 0.560 4.680 4.120 0.001 0.000 0.307 189 V C -0.482 175.572 176.094 -0.067 0.000 1.051 189 V CA -0.477 61.779 62.300 -0.073 0.000 0.893 189 V CB 2.192 33.962 31.823 -0.089 0.000 0.999 189 V HN 0.828 nan 8.190 nan 0.000 0.426 190 V N 5.779 125.663 119.914 -0.049 0.000 2.313 190 V HA 0.489 4.609 4.120 0.001 0.000 0.278 190 V C -0.110 175.982 176.094 -0.004 0.000 1.017 190 V CA -0.289 61.987 62.300 -0.040 0.000 0.823 190 V CB 1.328 33.109 31.823 -0.069 0.000 1.010 190 V HN 0.892 nan 8.190 nan 0.000 0.443 191 M N 4.969 124.576 119.600 0.012 0.000 2.336 191 M HA 0.589 5.070 4.480 0.001 0.000 0.342 191 M C -0.690 175.645 176.300 0.059 0.000 1.128 191 M CA -0.533 54.788 55.300 0.036 0.000 1.016 191 M CB 1.514 34.128 32.600 0.024 0.000 1.665 191 M HN 0.452 nan 8.290 nan 0.000 0.445 192 K N 5.215 125.660 120.400 0.076 0.000 2.394 192 K HA 0.451 4.771 4.320 0.001 0.000 0.260 192 K C -1.455 175.210 176.600 0.108 0.000 0.967 192 K CA -0.418 55.925 56.287 0.094 0.000 0.855 192 K CB 1.010 33.568 32.500 0.097 0.000 1.101 192 K HN 0.670 nan 8.250 nan 0.000 0.433 193 V N 0.869 120.857 119.914 0.123 0.000 2.837 193 V HA 0.725 4.846 4.120 0.001 0.000 0.310 193 V C 0.429 176.620 176.094 0.162 0.000 1.059 193 V CA -1.188 61.193 62.300 0.136 0.000 1.004 193 V CB 1.164 33.075 31.823 0.148 0.000 1.045 193 V HN 0.734 nan 8.190 nan 0.000 0.465 194 A N 2.143 125.072 122.820 0.182 0.000 2.462 194 A HA 0.293 4.613 4.320 0.001 0.000 0.243 194 A C 1.247 178.969 177.584 0.230 0.000 1.076 194 A CA 0.328 52.501 52.037 0.226 0.000 0.773 194 A CB -0.103 19.090 19.000 0.321 0.000 1.010 194 A HN 1.143 nan 8.150 nan 0.000 0.493 195 E N 1.650 121.961 120.200 0.184 0.000 2.153 195 E HA -0.292 4.059 4.350 0.001 0.000 0.194 195 E C 1.120 177.896 176.600 0.293 0.000 0.988 195 E CA 1.665 58.179 56.400 0.189 0.000 0.811 195 E CB -0.258 29.444 29.700 0.003 0.000 0.746 195 E HN 0.806 nan 8.360 nan 0.000 0.466 196 Q N 0.712 120.611 119.800 0.165 0.000 2.297 196 Q HA -0.021 4.320 4.340 0.001 0.000 0.204 196 Q C 0.548 176.615 176.000 0.111 0.000 0.962 196 Q CA 1.720 57.560 55.803 0.062 0.000 0.879 196 Q CB 0.444 29.075 28.738 -0.177 0.000 0.947 196 Q HN 0.483 nan 8.270 nan 0.000 0.462 197 T N -4.456 110.207 114.554 0.182 0.000 3.686 197 T HA 0.308 4.659 4.350 0.001 0.000 0.248 197 T C -2.659 172.141 174.700 0.166 0.000 1.090 197 T CA -1.216 60.976 62.100 0.154 0.000 1.659 197 T CB 0.996 69.961 68.868 0.161 0.000 0.780 197 T HN -0.107 nan 8.240 nan 0.000 0.632 198 P HA 0.272 nan 4.420 nan 0.000 0.234 198 P C 1.638 179.025 177.300 0.146 0.000 1.175 198 P CA -0.082 63.132 63.100 0.191 0.000 0.801 198 P CB 0.262 32.114 31.700 0.252 0.000 0.891 199 L N -0.084 121.203 121.223 0.107 0.000 2.027 199 L HA -0.123 4.218 4.340 0.001 0.000 0.206 199 L C 2.498 179.449 176.870 0.133 0.000 1.074 199 L CA 2.409 57.305 54.840 0.093 0.000 0.745 199 L CB -1.922 40.161 42.059 0.041 0.000 0.898 199 L HN 0.106 nan 8.230 nan 0.000 0.433 200 T N -2.218 112.399 114.554 0.106 0.000 2.867 200 T HA -0.092 4.258 4.350 0.001 0.000 0.268 200 T C 1.934 176.738 174.700 0.173 0.000 1.057 200 T CA 0.924 63.100 62.100 0.126 0.000 1.136 200 T CB -0.335 68.573 68.868 0.066 0.000 0.874 200 T HN 0.315 nan 8.240 nan 0.000 0.466 201 A N 1.537 124.441 122.820 0.139 0.000 1.930 201 A HA 0.233 4.554 4.320 0.001 0.000 0.217 201 A C 2.404 180.069 177.584 0.136 0.000 1.175 201 A CA 0.989 53.096 52.037 0.116 0.000 0.627 201 A CB -0.797 18.264 19.000 0.101 0.000 0.815 201 A HN 0.529 nan 8.150 nan 0.000 0.443 202 L N -2.304 119.043 121.223 0.207 0.000 2.093 202 L HA -0.154 4.187 4.340 0.001 0.000 0.208 202 L C 2.548 179.619 176.870 0.334 0.000 1.085 202 L CA 1.478 56.513 54.840 0.325 0.000 0.755 202 L CB -0.552 41.697 42.059 0.316 0.000 0.904 202 L HN 0.573 nan 8.230 nan 0.000 0.435 203 Y N 0.152 120.558 120.300 0.176 0.000 2.242 203 Y HA -0.196 4.354 4.550 0.001 0.000 0.291 203 Y C 2.378 178.361 175.900 0.138 0.000 1.137 203 Y CA 1.300 59.517 58.100 0.196 0.000 1.181 203 Y CB -0.100 38.522 38.460 0.270 0.000 0.989 203 Y HN -0.170 nan 8.280 nan 0.000 0.527 204 V N 0.293 120.298 119.914 0.150 0.000 2.407 204 V HA -0.345 3.775 4.120 0.001 0.000 0.248 204 V C 2.645 178.640 176.094 -0.165 0.000 1.055 204 V CA 1.637 63.946 62.300 0.014 0.000 1.049 204 V CB -1.522 30.328 31.823 0.045 0.000 0.662 204 V HN 0.568 nan 8.190 nan 0.000 0.455 205 A N 0.320 122.981 122.820 -0.265 0.000 1.917 205 A HA -0.326 3.995 4.320 0.001 0.000 0.219 205 A C 2.072 179.237 177.584 -0.699 0.000 1.182 205 A CA 2.483 54.066 52.037 -0.755 0.000 0.633 205 A CB -0.831 17.420 19.000 -1.248 0.000 0.819 205 A HN 0.584 nan 8.150 nan 0.000 0.448 206 N N -0.104 118.423 118.700 -0.288 0.000 2.120 206 N HA -0.077 4.663 4.740 0.001 0.000 0.188 206 N C 1.551 176.974 175.510 -0.145 0.000 1.024 206 N CA 1.498 54.488 53.050 -0.101 0.000 0.852 206 N CB -0.369 38.037 38.487 -0.135 0.000 1.003 206 N HN 0.520 nan 8.380 nan 0.000 0.424 207 L N -0.091 121.008 121.223 -0.207 0.000 2.141 207 L HA -0.059 4.282 4.340 0.001 0.000 0.209 207 L C 2.053 178.926 176.870 0.005 0.000 1.094 207 L CA 0.606 55.392 54.840 -0.091 0.000 0.763 207 L CB -0.378 41.649 42.059 -0.053 0.000 0.908 207 L HN 0.190 nan 8.230 nan 0.000 0.437 208 I N 0.293 120.839 120.570 -0.041 0.000 2.163 208 I HA -0.356 3.814 4.170 0.001 0.000 0.243 208 I C 2.760 178.991 176.117 0.190 0.000 1.085 208 I CA 1.530 62.860 61.300 0.049 0.000 1.347 208 I CB -0.327 37.568 38.000 -0.174 0.000 1.044 208 I HN 0.279 nan 8.210 nan 0.000 0.408 209 K N 1.178 121.649 120.400 0.119 0.000 2.009 209 K HA -0.284 4.036 4.320 0.001 0.000 0.210 209 K C 2.133 178.803 176.600 0.118 0.000 1.049 209 K CA 2.042 58.427 56.287 0.164 0.000 0.929 209 K CB -0.185 32.429 32.500 0.190 0.000 0.714 209 K HN 0.255 nan 8.250 nan 0.000 0.440 210 E N -0.401 119.845 120.200 0.077 0.000 2.160 210 E HA -0.189 4.162 4.350 0.001 0.000 0.195 210 E C 1.578 178.215 176.600 0.062 0.000 0.991 210 E CA 1.022 57.454 56.400 0.054 0.000 0.810 210 E CB -0.098 29.615 29.700 0.022 0.000 0.742 210 E HN 0.475 nan 8.360 nan 0.000 0.466 211 A N -0.169 122.710 122.820 0.099 0.000 2.119 211 A HA 0.128 4.448 4.320 0.001 0.000 0.217 211 A C 1.766 179.336 177.584 -0.024 0.000 1.153 211 A CA 1.190 53.270 52.037 0.072 0.000 0.692 211 A CB -0.265 18.844 19.000 0.182 0.000 0.799 211 A HN 0.488 nan 8.150 nan 0.000 0.458 212 G N -2.441 106.376 108.800 0.029 0.000 2.138 212 G HA2 -0.177 3.784 3.960 0.001 0.000 0.193 212 G HA3 -0.177 3.784 3.960 0.001 0.000 0.193 212 G C -0.074 174.806 174.900 -0.032 0.000 0.998 212 G CA -0.246 44.850 45.100 -0.008 0.000 0.668 212 G HN 0.267 nan 8.290 nan 0.000 0.516 213 F N 1.635 121.609 119.950 0.041 0.000 2.538 213 F HA 0.406 4.933 4.527 0.001 0.000 0.371 213 F C -1.158 174.625 175.800 -0.029 0.000 1.087 213 F CA -1.558 56.433 58.000 -0.015 0.000 1.250 213 F CB 0.525 39.449 39.000 -0.128 0.000 1.110 213 F HN -0.102 nan 8.300 nan 0.000 0.570 214 P HA -0.031 nan 4.420 nan 0.000 0.265 214 P C -2.398 174.912 177.300 0.016 0.000 1.187 214 P CA -0.725 62.430 63.100 0.092 0.000 0.766 214 P CB -0.194 31.600 31.700 0.156 0.000 0.820 215 P HA -0.019 nan 4.420 nan 0.000 0.265 215 P C 0.894 178.148 177.300 -0.077 0.000 1.193 215 P CA 0.960 64.026 63.100 -0.057 0.000 0.765 215 P CB 0.315 31.978 31.700 -0.061 0.000 0.823 216 G N 1.411 110.137 108.800 -0.123 0.000 2.217 216 G HA2 -0.294 3.667 3.960 0.001 0.000 0.246 216 G HA3 -0.294 3.667 3.960 0.001 0.000 0.246 216 G C 0.859 175.675 174.900 -0.141 0.000 0.990 216 G CA 0.171 45.202 45.100 -0.115 0.000 0.627 216 G HN 0.379 nan 8.290 nan 0.000 0.522 217 V N -0.019 119.761 119.914 -0.223 0.000 2.358 217 V HA 0.098 4.218 4.120 0.001 0.000 0.246 217 V C 1.441 177.348 176.094 -0.312 0.000 1.047 217 V CA 1.973 64.018 62.300 -0.425 0.000 1.035 217 V CB 0.111 31.442 31.823 -0.819 0.000 0.658 217 V HN 0.389 nan 8.190 nan 0.000 0.452 218 V N 1.912 121.696 119.914 -0.217 0.000 2.443 218 V HA 0.473 4.594 4.120 0.001 0.000 0.293 218 V C -0.796 175.315 176.094 0.028 0.000 1.021 218 V CA -0.762 61.458 62.300 -0.133 0.000 0.848 218 V CB 1.610 33.311 31.823 -0.204 0.000 0.998 218 V HN 0.438 nan 8.190 nan 0.000 0.424 219 N N 5.263 123.969 118.700 0.009 0.000 2.269 219 N HA 0.691 5.431 4.740 0.001 0.000 0.304 219 N C -1.183 174.374 175.510 0.079 0.000 1.072 219 N CA -0.440 52.642 53.050 0.053 0.000 0.802 219 N CB 3.147 41.597 38.487 -0.061 0.000 1.348 219 N HN 0.480 nan 8.380 nan 0.000 0.484 220 I N 1.273 121.934 120.570 0.151 0.000 2.466 220 I HA 0.307 4.477 4.170 0.001 0.000 0.289 220 I C -0.634 175.568 176.117 0.142 0.000 1.026 220 I CA -0.930 60.446 61.300 0.126 0.000 1.078 220 I CB 2.318 40.393 38.000 0.125 0.000 1.249 220 I HN 0.045 nan 8.210 nan 0.000 0.429 221 V N 7.866 127.847 119.914 0.111 0.000 2.304 221 V HA 0.330 4.450 4.120 0.001 0.000 0.278 221 V C -2.271 173.902 176.094 0.132 0.000 1.018 221 V CA -1.706 60.662 62.300 0.113 0.000 0.814 221 V CB 1.262 33.122 31.823 0.062 0.000 1.021 221 V HN 0.528 nan 8.190 nan 0.000 0.440 222 P HA 0.596 nan 4.420 nan 0.000 0.274 222 P C 0.395 177.788 177.300 0.154 0.000 1.231 222 P CA 0.404 63.645 63.100 0.234 0.000 0.790 222 P CB 1.323 33.229 31.700 0.343 0.000 0.951 223 G N 0.115 108.900 108.800 -0.025 0.000 2.367 223 G HA2 0.300 4.261 3.960 0.001 0.000 0.272 223 G HA3 0.300 4.261 3.960 0.001 0.000 0.272 223 G C -1.666 172.968 174.900 -0.443 0.000 1.271 223 G CA -0.670 44.185 45.100 -0.408 0.000 0.893 223 G HN 0.214 nan 8.290 nan 0.000 0.485 224 F N 0.491 120.313 119.950 -0.214 0.000 2.410 224 F HA 0.674 5.202 4.527 0.001 0.000 0.324 224 F C 1.668 177.431 175.800 -0.062 0.000 1.093 224 F CA -0.040 57.859 58.000 -0.168 0.000 1.028 224 F CB 1.073 39.986 39.000 -0.146 0.000 1.309 224 F HN 0.675 nan 8.300 nan 0.000 0.499 225 G N 0.207 109.120 108.800 0.189 0.000 2.439 225 G HA2 -0.033 3.927 3.960 0.001 0.000 0.212 225 G HA3 -0.033 3.927 3.960 0.001 0.000 0.212 225 G C -1.152 173.793 174.900 0.075 0.000 1.199 225 G CA 0.338 45.506 45.100 0.113 0.000 0.807 225 G HN 0.461 nan 8.290 nan 0.000 0.537 226 P HA 0.025 nan 4.420 nan 0.000 0.236 226 P C 1.254 178.585 177.300 0.052 0.000 1.172 226 P CA 1.842 64.962 63.100 0.034 0.000 0.759 226 P CB 0.122 31.831 31.700 0.015 0.000 0.843 227 T N -4.919 109.684 114.554 0.083 0.000 3.429 227 T HA 0.336 4.687 4.350 0.001 0.000 0.212 227 T C 1.860 176.593 174.700 0.055 0.000 0.980 227 T CA 0.500 62.643 62.100 0.071 0.000 1.201 227 T CB -0.870 68.054 68.868 0.094 0.000 1.289 227 T HN -0.129 nan 8.240 nan 0.000 0.346 228 A N 1.778 124.629 122.820 0.053 0.000 1.877 228 A HA 0.255 4.576 4.320 0.001 0.000 0.216 228 A C 2.547 180.165 177.584 0.055 0.000 1.186 228 A CA 2.126 54.189 52.037 0.043 0.000 0.620 228 A CB -1.708 17.307 19.000 0.024 0.000 0.822 228 A HN 0.692 nan 8.150 nan 0.000 0.443 229 G N -0.722 108.118 108.800 0.066 0.000 2.402 229 G HA2 0.050 4.011 3.960 0.001 0.000 0.216 229 G HA3 0.050 4.011 3.960 0.001 0.000 0.216 229 G C 1.753 176.677 174.900 0.040 0.000 1.162 229 G CA 1.377 46.520 45.100 0.071 0.000 0.777 229 G HN 0.813 nan 8.290 nan 0.000 0.539 230 A N 1.177 124.012 122.820 0.026 0.000 1.940 230 A HA 0.244 4.565 4.320 0.001 0.000 0.219 230 A C 2.761 180.360 177.584 0.024 0.000 1.176 230 A CA 2.217 54.258 52.037 0.007 0.000 0.631 230 A CB -0.682 18.320 19.000 0.003 0.000 0.814 230 A HN 0.785 nan 8.150 nan 0.000 0.446 231 A N -0.335 122.512 122.820 0.043 0.000 2.015 231 A HA 0.016 4.336 4.320 0.001 0.000 0.219 231 A C 2.056 179.704 177.584 0.106 0.000 1.163 231 A CA 1.328 53.405 52.037 0.067 0.000 0.646 231 A CB -0.496 18.548 19.000 0.073 0.000 0.806 231 A HN 0.521 nan 8.150 nan 0.000 0.448 232 I N -0.551 120.066 120.570 0.078 0.000 2.277 232 I HA -0.180 3.991 4.170 0.001 0.000 0.243 232 I C 2.898 179.057 176.117 0.070 0.000 1.094 232 I CA 0.972 62.315 61.300 0.070 0.000 1.393 232 I CB -0.382 37.647 38.000 0.047 0.000 1.078 232 I HN 0.320 nan 8.210 nan 0.000 0.417 233 A N -0.010 122.836 122.820 0.043 0.000 2.019 233 A HA -0.122 4.199 4.320 0.001 0.000 0.219 233 A C 2.183 179.781 177.584 0.023 0.000 1.164 233 A CA 1.840 53.889 52.037 0.019 0.000 0.644 233 A CB -0.361 18.627 19.000 -0.020 0.000 0.805 233 A HN 0.417 nan 8.150 nan 0.000 0.449 234 S N -1.135 114.587 115.700 0.036 0.000 2.578 234 S HA 0.129 4.599 4.470 0.001 0.000 0.231 234 S C 0.368 174.986 174.600 0.031 0.000 0.994 234 S CA -0.588 57.623 58.200 0.018 0.000 0.956 234 S CB -0.153 63.045 63.200 -0.004 0.000 0.870 234 S HN 0.678 nan 8.310 nan 0.000 0.494 235 H N 2.629 121.692 119.070 -0.012 0.000 2.764 235 H HA 0.170 4.726 4.556 0.001 0.000 0.341 235 H C 0.670 175.991 175.328 -0.012 0.000 1.072 235 H CA 0.484 56.526 56.048 -0.010 0.000 1.444 235 H CB 0.776 30.533 29.762 -0.009 0.000 1.458 235 H HN 0.091 nan 8.280 nan 0.000 0.572 236 E N 2.768 122.933 120.200 -0.058 0.000 2.371 236 E HA -0.095 4.255 4.350 0.001 0.000 0.194 236 E C 0.502 177.182 176.600 0.132 0.000 1.012 236 E CA 0.614 57.024 56.400 0.017 0.000 0.860 236 E CB 0.305 29.964 29.700 -0.069 0.000 0.811 236 E HN 0.588 nan 8.360 nan 0.000 0.502 237 D N -0.271 120.345 120.400 0.360 0.000 2.440 237 D HA 0.058 4.699 4.640 0.001 0.000 0.216 237 D C -0.689 175.660 176.300 0.083 0.000 1.150 237 D CA -0.035 54.086 54.000 0.201 0.000 0.832 237 D CB 0.656 41.578 40.800 0.204 0.000 0.992 237 D HN -0.218 nan 8.370 nan 0.000 0.502 238 V N 1.513 121.484 119.914 0.095 0.000 2.407 238 V HA 0.164 4.285 4.120 0.001 0.000 0.278 238 V C 0.806 176.896 176.094 -0.007 0.000 1.037 238 V CA -0.367 61.924 62.300 -0.015 0.000 0.900 238 V CB 1.777 33.587 31.823 -0.021 0.000 0.983 238 V HN 0.061 nan 8.190 nan 0.000 0.459 239 D N 2.813 123.186 120.400 -0.045 0.000 2.271 239 D HA 0.070 4.710 4.640 0.001 0.000 0.206 239 D C 0.751 177.025 176.300 -0.043 0.000 0.967 239 D CA 0.833 54.806 54.000 -0.045 0.000 0.867 239 D CB 0.619 41.373 40.800 -0.078 0.000 0.960 239 D HN 0.395 nan 8.370 nan 0.000 0.509 240 K N 0.752 121.125 120.400 -0.044 0.000 2.557 240 K HA 0.306 4.627 4.320 0.001 0.000 0.257 240 K C -2.058 174.527 176.600 -0.025 0.000 0.933 240 K CA -0.519 55.737 56.287 -0.053 0.000 0.820 240 K CB 2.889 35.331 32.500 -0.096 0.000 1.330 240 K HN -0.158 nan 8.250 nan 0.000 0.432 241 V N 2.731 122.635 119.914 -0.016 0.000 2.540 241 V HA 0.801 4.922 4.120 0.001 0.000 0.302 241 V C -1.089 175.027 176.094 0.037 0.000 1.035 241 V CA -0.395 61.920 62.300 0.026 0.000 0.873 241 V CB 1.445 33.291 31.823 0.038 0.000 0.992 241 V HN 0.859 nan 8.190 nan 0.000 0.428 242 A N 6.637 129.505 122.820 0.081 0.000 2.303 242 A HA 0.827 5.147 4.320 0.001 0.000 0.320 242 A C -1.209 176.486 177.584 0.184 0.000 1.192 242 A CA -0.451 51.648 52.037 0.104 0.000 0.821 242 A CB 0.836 19.902 19.000 0.112 0.000 1.188 242 A HN 1.146 nan 8.150 nan 0.000 0.492 243 F N 2.337 122.307 119.950 0.034 0.000 2.518 243 F HA 0.637 5.164 4.527 0.001 0.000 0.323 243 F C -0.340 175.488 175.800 0.046 0.000 1.129 243 F CA -0.007 58.016 58.000 0.038 0.000 0.920 243 F CB 2.097 41.111 39.000 0.023 0.000 1.160 243 F HN 0.424 nan 8.300 nan 0.000 0.440 244 T N 4.828 118.907 114.554 -0.791 0.000 2.807 244 T HA 0.833 5.184 4.350 0.001 0.000 0.279 244 T C -0.062 173.931 174.700 -1.178 0.000 0.993 244 T CA -0.183 61.503 62.100 -0.690 0.000 0.970 244 T CB 1.300 70.021 68.868 -0.244 0.000 0.950 244 T HN 1.104 nan 8.240 nan 0.000 0.441 245 G N 1.653 109.964 108.800 -0.816 0.000 2.360 245 G HA2 0.434 4.395 3.960 0.001 0.000 0.276 245 G HA3 0.434 4.395 3.960 0.001 0.000 0.276 245 G C -0.433 174.406 174.900 -0.102 0.000 1.256 245 G CA -0.239 44.561 45.100 -0.499 0.000 0.890 245 G HN 0.930 nan 8.290 nan 0.000 0.486 246 S N -0.976 114.761 115.700 0.062 0.000 2.589 246 S HA 0.412 4.883 4.470 0.001 0.000 0.265 246 S C 1.386 176.091 174.600 0.174 0.000 1.342 246 S CA 1.188 59.415 58.200 0.045 0.000 1.005 246 S CB 1.320 64.540 63.200 0.034 0.000 0.909 246 S HN 1.114 nan 8.310 nan 0.000 0.555 247 T N 0.043 114.682 114.554 0.142 0.000 2.867 247 T HA -0.091 4.260 4.350 0.001 0.000 0.268 247 T C 1.683 176.447 174.700 0.107 0.000 1.057 247 T CA 1.775 63.974 62.100 0.166 0.000 1.136 247 T CB -0.628 68.373 68.868 0.221 0.000 0.874 247 T HN 0.782 nan 8.240 nan 0.000 0.466 248 E N 0.985 121.235 120.200 0.083 0.000 2.031 248 E HA -0.076 4.275 4.350 0.001 0.000 0.193 248 E C 2.036 178.630 176.600 -0.011 0.000 0.994 248 E CA 1.206 57.627 56.400 0.035 0.000 0.800 248 E CB -0.457 29.263 29.700 0.034 0.000 0.752 248 E HN 0.400 nan 8.360 nan 0.000 0.447 249 I N 0.631 121.195 120.570 -0.009 0.000 2.286 249 I HA -0.113 4.058 4.170 0.001 0.000 0.248 249 I C 2.375 178.241 176.117 -0.419 0.000 1.115 249 I CA 1.427 62.616 61.300 -0.185 0.000 1.392 249 I CB -1.782 36.137 38.000 -0.136 0.000 1.065 249 I HN 0.281 nan 8.210 nan 0.000 0.418 250 G N 1.146 109.820 108.800 -0.209 0.000 2.469 250 G HA2 -0.275 3.685 3.960 0.001 0.000 0.220 250 G HA3 -0.275 3.685 3.960 0.001 0.000 0.220 250 G C 1.909 176.731 174.900 -0.129 0.000 1.136 250 G CA 0.580 45.597 45.100 -0.138 0.000 0.759 250 G HN 0.353 nan 8.290 nan 0.000 0.562 251 R N -0.342 120.108 120.500 -0.084 0.000 2.075 251 R HA 0.018 4.359 4.340 0.001 0.000 0.232 251 R C 2.671 178.912 176.300 -0.098 0.000 1.126 251 R CA 1.050 57.110 56.100 -0.067 0.000 0.963 251 R CB -0.578 29.697 30.300 -0.041 0.000 0.858 251 R HN 0.288 nan 8.270 nan 0.000 0.435 252 V N 1.597 121.431 119.914 -0.133 0.000 2.392 252 V HA -0.254 3.866 4.120 0.001 0.000 0.249 252 V C 2.264 178.267 176.094 -0.152 0.000 1.059 252 V CA 1.502 63.722 62.300 -0.133 0.000 1.051 252 V CB -0.441 31.294 31.823 -0.147 0.000 0.658 252 V HN 0.264 nan 8.190 nan 0.000 0.455 253 I N -0.081 120.349 120.570 -0.232 0.000 2.252 253 I HA -0.206 3.965 4.170 0.001 0.000 0.245 253 I C 2.513 178.566 176.117 -0.105 0.000 1.102 253 I CA 1.628 62.807 61.300 -0.202 0.000 1.385 253 I CB -1.209 36.601 38.000 -0.318 0.000 1.064 253 I HN 0.385 nan 8.210 nan 0.000 0.414 254 Q N 0.986 120.734 119.800 -0.088 0.000 2.167 254 Q HA -0.094 4.247 4.340 0.001 0.000 0.202 254 Q C 2.154 178.126 176.000 -0.046 0.000 0.970 254 Q CA 1.394 57.166 55.803 -0.051 0.000 0.855 254 Q CB -0.184 28.531 28.738 -0.038 0.000 0.911 254 Q HN 0.331 nan 8.270 nan 0.000 0.438 255 V N 0.286 120.168 119.914 -0.053 0.000 2.379 255 V HA -0.150 3.970 4.120 0.001 0.000 0.245 255 V C 2.218 178.288 176.094 -0.040 0.000 1.044 255 V CA 1.542 63.816 62.300 -0.044 0.000 1.036 255 V CB -1.131 30.665 31.823 -0.045 0.000 0.664 255 V HN 0.478 nan 8.190 nan 0.000 0.453 256 A N 0.035 122.827 122.820 -0.046 0.000 1.972 256 A HA -0.108 4.213 4.320 0.001 0.000 0.219 256 A C 2.376 179.944 177.584 -0.027 0.000 1.169 256 A CA 2.032 54.047 52.037 -0.037 0.000 0.635 256 A CB -0.609 18.366 19.000 -0.041 0.000 0.810 256 A HN 0.557 nan 8.150 nan 0.000 0.446 257 A N -0.499 122.304 122.820 -0.028 0.000 1.873 257 A HA 0.183 4.503 4.320 0.001 0.000 0.215 257 A C 2.414 179.986 177.584 -0.020 0.000 1.186 257 A CA 1.768 53.793 52.037 -0.020 0.000 0.616 257 A CB -1.341 17.647 19.000 -0.021 0.000 0.823 257 A HN 0.695 nan 8.150 nan 0.000 0.442 258 G N -0.172 108.613 108.800 -0.024 0.000 2.408 258 G HA2 -0.165 3.796 3.960 0.001 0.000 0.217 258 G HA3 -0.165 3.796 3.960 0.001 0.000 0.217 258 G C 1.916 176.803 174.900 -0.021 0.000 1.150 258 G CA 1.680 46.766 45.100 -0.023 0.000 0.776 258 G HN 0.879 nan 8.290 nan 0.000 0.542 259 S N 0.510 116.196 115.700 -0.023 0.000 2.481 259 S HA 0.003 4.473 4.470 0.001 0.000 0.231 259 S C 2.032 176.620 174.600 -0.021 0.000 0.996 259 S CA 1.378 59.565 58.200 -0.022 0.000 0.942 259 S CB -0.202 62.983 63.200 -0.024 0.000 0.768 259 S HN 0.540 nan 8.310 nan 0.000 0.520 260 S N 3.140 118.829 115.700 -0.019 0.000 3.171 260 S HA 0.188 4.659 4.470 0.001 0.000 0.170 260 S C 1.049 175.641 174.600 -0.014 0.000 0.773 260 S CA 0.119 58.309 58.200 -0.018 0.000 1.114 260 S CB -0.666 62.526 63.200 -0.013 0.000 0.657 260 S HN 0.602 nan 8.310 nan 0.000 0.624 261 N N 1.286 119.982 118.700 -0.007 0.000 2.238 261 N HA 0.235 4.975 4.740 0.001 0.000 0.222 261 N C 0.175 175.682 175.510 -0.006 0.000 1.133 261 N CA -0.066 52.982 53.050 -0.004 0.000 0.854 261 N CB -0.468 38.023 38.487 0.006 0.000 1.041 261 N HN 0.652 nan 8.380 nan 0.000 0.510 262 L N -0.353 120.863 121.223 -0.011 0.000 3.865 262 L HA -0.290 4.050 4.340 0.001 0.000 0.408 262 L C 0.031 176.891 176.870 -0.016 0.000 1.209 262 L CA 0.608 55.439 54.840 -0.015 0.000 0.940 262 L CB -1.759 40.291 42.059 -0.016 0.000 1.971 262 L HN 0.437 nan 8.230 nan 0.000 0.899 263 K N 0.338 120.730 120.400 -0.013 0.000 2.440 263 K HA 0.334 4.654 4.320 0.001 0.000 0.270 263 K C 0.345 176.928 176.600 -0.029 0.000 0.980 263 K CA -0.414 55.862 56.287 -0.018 0.000 0.953 263 K CB 0.467 32.961 32.500 -0.010 0.000 0.925 263 K HN 0.136 nan 8.250 nan 0.000 0.497 264 R N 0.862 121.337 120.500 -0.042 0.000 2.543 264 R HA 0.206 4.547 4.340 0.001 0.000 0.277 264 R C -0.684 175.582 176.300 -0.056 0.000 1.074 264 R CA -0.428 55.639 56.100 -0.056 0.000 1.076 264 R CB 0.957 31.210 30.300 -0.079 0.000 0.993 264 R HN 0.392 nan 8.270 nan 0.000 0.459 265 V N 2.039 121.923 119.914 -0.050 0.000 2.638 265 V HA 0.406 4.526 4.120 0.001 0.000 0.306 265 V C -0.214 175.860 176.094 -0.033 0.000 1.052 265 V CA -0.784 61.498 62.300 -0.031 0.000 0.885 265 V CB 2.110 33.924 31.823 -0.015 0.000 0.999 265 V HN 0.985 nan 8.190 nan 0.000 0.424 266 T N 2.815 117.358 114.554 -0.019 0.000 2.893 266 T HA 0.889 5.240 4.350 0.001 0.000 0.291 266 T C -0.984 173.753 174.700 0.061 0.000 1.028 266 T CA -0.762 61.335 62.100 -0.006 0.000 0.995 266 T CB 1.890 70.730 68.868 -0.047 0.000 1.051 266 T HN 0.389 nan 8.240 nan 0.000 0.470 267 L N 1.127 122.392 121.223 0.069 0.000 2.431 267 L HA 0.591 4.931 4.340 0.001 0.000 0.266 267 L C -0.424 176.494 176.870 0.080 0.000 0.978 267 L CA -0.778 54.140 54.840 0.131 0.000 0.822 267 L CB 2.538 44.694 42.059 0.162 0.000 1.310 267 L HN 0.768 nan 8.230 nan 0.000 0.409 268 E N 3.899 124.136 120.200 0.061 0.000 2.186 268 E HA 0.552 4.903 4.350 0.001 0.000 0.255 268 E C -1.237 175.379 176.600 0.027 0.000 0.881 268 E CA -0.321 56.101 56.400 0.036 0.000 0.752 268 E CB 1.246 30.985 29.700 0.066 0.000 1.176 268 E HN 0.515 nan 8.360 nan 0.000 0.421 269 L N 1.823 123.085 121.223 0.066 0.000 2.755 269 L HA 0.653 4.994 4.340 0.001 0.000 0.243 269 L C 1.186 178.086 176.870 0.050 0.000 1.579 269 L CA -1.040 53.852 54.840 0.087 0.000 1.669 269 L CB 0.095 42.250 42.059 0.160 0.000 2.294 269 L HN 0.483 nan 8.230 nan 0.000 0.588 270 G N -1.515 107.312 108.800 0.044 0.000 2.563 270 G HA2 0.546 4.507 3.960 0.001 0.000 0.283 270 G HA3 0.546 4.507 3.960 0.001 0.000 0.283 270 G C -0.613 174.057 174.900 -0.384 0.000 1.309 270 G CA 0.157 45.164 45.100 -0.155 0.000 1.022 270 G HN 0.780 nan 8.290 nan 0.000 0.501 271 G N -1.801 106.589 108.800 -0.682 0.000 2.660 271 G HA2 0.506 4.466 3.960 0.001 0.000 0.290 271 G HA3 0.506 4.466 3.960 0.001 0.000 0.290 271 G C -1.339 173.212 174.900 -0.582 0.000 1.432 271 G CA -0.635 44.085 45.100 -0.633 0.000 0.807 271 G HN 0.582 nan 8.290 nan 0.000 0.485 272 K N 0.587 120.876 120.400 -0.185 0.000 3.207 272 K HA 0.430 4.751 4.320 0.001 0.000 0.166 272 K C -0.134 176.532 176.600 0.109 0.000 1.079 272 K CA -0.307 55.985 56.287 0.008 0.000 0.818 272 K CB 0.274 32.863 32.500 0.148 0.000 0.967 272 K HN 0.417 nan 8.250 nan 0.000 0.594 273 S N 3.022 118.797 115.700 0.124 0.000 2.533 273 S HA 0.214 4.684 4.470 0.001 0.000 0.282 273 S C -2.432 172.310 174.600 0.237 0.000 1.304 273 S CA -0.731 57.589 58.200 0.200 0.000 1.063 273 S CB 0.448 63.829 63.200 0.301 0.000 0.881 273 S HN 0.330 nan 8.310 nan 0.000 0.493 274 P HA 0.245 nan 4.420 nan 0.000 0.287 274 P C -0.850 176.661 177.300 0.352 0.000 1.281 274 P CA -0.474 62.827 63.100 0.336 0.000 0.781 274 P CB 0.255 32.111 31.700 0.259 0.000 0.903 275 N N 3.761 122.663 118.700 0.337 0.000 2.511 275 N HA 0.344 5.085 4.740 0.001 0.000 0.249 275 N C -0.918 174.772 175.510 0.301 0.000 0.971 275 N CA -0.555 52.694 53.050 0.331 0.000 0.938 275 N CB 0.392 38.966 38.487 0.145 0.000 1.131 275 N HN 0.292 nan 8.380 nan 0.000 0.505 276 I N 5.028 125.791 120.570 0.322 0.000 2.312 276 I HA 0.284 4.455 4.170 0.001 0.000 0.290 276 I C -0.253 176.051 176.117 0.312 0.000 1.008 276 I CA -0.688 60.770 61.300 0.264 0.000 1.226 276 I CB 1.144 39.203 38.000 0.097 0.000 1.371 276 I HN 0.394 nan 8.210 nan 0.000 0.468 277 I N 7.078 127.812 120.570 0.274 0.000 2.330 277 I HA 0.319 4.490 4.170 0.001 0.000 0.286 277 I C 0.185 176.477 176.117 0.291 0.000 1.025 277 I CA -0.471 60.948 61.300 0.198 0.000 1.197 277 I CB 0.826 38.733 38.000 -0.156 0.000 1.358 277 I HN 0.462 nan 8.210 nan 0.000 0.467 278 M N 3.753 123.540 119.600 0.311 0.000 2.227 278 M HA 0.158 4.639 4.480 0.001 0.000 0.316 278 M C 1.637 178.032 176.300 0.159 0.000 1.144 278 M CA -0.079 55.389 55.300 0.280 0.000 1.121 278 M CB 0.744 33.498 32.600 0.256 0.000 1.440 278 M HN 0.648 nan 8.290 nan 0.000 0.473 279 S N 0.043 115.800 115.700 0.094 0.000 2.469 279 S HA -0.132 4.338 4.470 0.001 0.000 0.238 279 S C 0.693 175.347 174.600 0.089 0.000 0.998 279 S CA 1.207 59.442 58.200 0.059 0.000 0.957 279 S CB -0.532 62.680 63.200 0.019 0.000 0.764 279 S HN 0.745 nan 8.310 nan 0.000 0.514 280 D N 1.210 121.678 120.400 0.113 0.000 2.424 280 D HA 0.432 5.073 4.640 0.001 0.000 0.220 280 D C 0.434 176.821 176.300 0.146 0.000 1.150 280 D CA -0.168 53.899 54.000 0.112 0.000 0.831 280 D CB -0.162 40.695 40.800 0.095 0.000 0.981 280 D HN 0.452 nan 8.370 nan 0.000 0.500 281 A N 0.362 123.294 122.820 0.186 0.000 2.332 281 A HA 0.246 4.567 4.320 0.001 0.000 0.258 281 A C 0.220 177.948 177.584 0.239 0.000 1.087 281 A CA -0.452 51.737 52.037 0.254 0.000 0.802 281 A CB 0.319 19.511 19.000 0.319 0.000 1.042 281 A HN 0.135 nan 8.150 nan 0.000 0.489 282 D N 1.778 122.355 120.400 0.295 0.000 2.342 282 D HA 0.097 4.738 4.640 0.001 0.000 0.260 282 D C 1.027 177.500 176.300 0.289 0.000 1.278 282 D CA -0.157 54.007 54.000 0.273 0.000 0.910 282 D CB 0.476 41.458 40.800 0.303 0.000 1.079 282 D HN 0.448 nan 8.370 nan 0.000 0.496 283 M N 4.102 123.827 119.600 0.209 0.000 2.082 283 M HA -0.206 4.275 4.480 0.001 0.000 0.258 283 M C 1.138 177.527 176.300 0.150 0.000 1.071 283 M CA 1.758 57.168 55.300 0.183 0.000 1.103 283 M CB -0.353 32.326 32.600 0.131 0.000 1.307 283 M HN 0.299 nan 8.290 nan 0.000 0.409 284 D N -0.817 119.668 120.400 0.141 0.000 2.116 284 D HA -0.256 4.385 4.640 0.001 0.000 0.193 284 D C 1.820 178.231 176.300 0.186 0.000 0.998 284 D CA 1.580 55.651 54.000 0.119 0.000 0.836 284 D CB -0.717 40.157 40.800 0.124 0.000 0.951 284 D HN 0.666 nan 8.370 nan 0.000 0.449 285 W N 1.475 122.817 121.300 0.069 0.000 2.355 285 W HA -0.184 4.477 4.660 0.001 0.000 0.309 285 W C 2.202 178.783 176.519 0.103 0.000 1.206 285 W CA 1.522 58.933 57.345 0.110 0.000 1.284 285 W CB -0.088 29.475 29.460 0.172 0.000 1.145 285 W HN -0.014 nan 8.180 nan 0.000 0.502 286 A N 0.224 123.091 122.820 0.078 0.000 1.933 286 A HA -0.180 4.141 4.320 0.001 0.000 0.218 286 A C 2.000 179.470 177.584 -0.190 0.000 1.175 286 A CA 2.078 53.961 52.037 -0.256 0.000 0.628 286 A CB -1.130 17.873 19.000 0.004 0.000 0.814 286 A HN 0.168 nan 8.150 nan 0.000 0.444 287 V N -0.175 119.667 119.914 -0.119 0.000 2.358 287 V HA -0.205 3.915 4.120 0.001 0.000 0.246 287 V C 2.607 178.562 176.094 -0.230 0.000 1.047 287 V CA 2.373 64.471 62.300 -0.337 0.000 1.035 287 V CB -0.565 31.006 31.823 -0.421 0.000 0.658 287 V HN 0.699 nan 8.190 nan 0.000 0.452 288 E N -0.122 119.963 120.200 -0.190 0.000 2.072 288 E HA -0.192 4.158 4.350 0.001 0.000 0.191 288 E C 2.268 178.768 176.600 -0.168 0.000 0.985 288 E CA 1.214 57.520 56.400 -0.156 0.000 0.801 288 E CB -0.203 29.415 29.700 -0.137 0.000 0.750 288 E HN 0.469 nan 8.360 nan 0.000 0.452 289 Q N -0.437 119.130 119.800 -0.389 0.000 2.172 289 Q HA 0.018 4.358 4.340 0.001 0.000 0.200 289 Q C 2.034 177.932 176.000 -0.171 0.000 0.964 289 Q CA 1.270 56.870 55.803 -0.340 0.000 0.855 289 Q CB -0.246 28.167 28.738 -0.542 0.000 0.918 289 Q HN 0.378 nan 8.270 nan 0.000 0.444 290 A N -0.168 122.526 122.820 -0.210 0.000 1.929 290 A HA -0.198 4.122 4.320 0.001 0.000 0.216 290 A C 1.896 179.468 177.584 -0.019 0.000 1.176 290 A CA 1.691 53.659 52.037 -0.114 0.000 0.628 290 A CB -0.674 18.398 19.000 0.120 0.000 0.816 290 A HN 0.448 nan 8.150 nan 0.000 0.444 291 H N -1.554 117.512 119.070 -0.008 0.000 2.321 291 H HA -0.140 4.416 4.556 0.001 0.000 0.300 291 H C 1.728 177.198 175.328 0.238 0.000 1.087 291 H CA 2.199 58.349 56.048 0.169 0.000 1.319 291 H CB -0.383 29.427 29.762 0.080 0.000 1.379 291 H HN 0.465 nan 8.280 nan 0.000 0.501 292 F N 0.793 120.799 119.950 0.092 0.000 2.069 292 F HA -0.220 4.307 4.527 0.001 0.000 0.298 292 F C 2.578 178.351 175.800 -0.045 0.000 1.113 292 F CA 1.632 59.666 58.000 0.056 0.000 1.214 292 F CB -0.704 38.289 39.000 -0.010 0.000 0.978 292 F HN 0.298 nan 8.300 nan 0.000 0.474 293 A N 0.448 123.121 122.820 -0.246 0.000 1.986 293 A HA -0.207 4.114 4.320 0.001 0.000 0.220 293 A C 2.195 179.469 177.584 -0.516 0.000 1.171 293 A CA 1.946 53.586 52.037 -0.662 0.000 0.640 293 A CB -0.941 17.320 19.000 -1.232 0.000 0.811 293 A HN 0.568 nan 8.150 nan 0.000 0.451 294 L N -2.552 118.423 121.223 -0.413 0.000 2.269 294 L HA 0.222 4.563 4.340 0.001 0.000 0.200 294 L C 1.955 178.528 176.870 -0.495 0.000 1.069 294 L CA 1.471 56.026 54.840 -0.476 0.000 0.804 294 L CB -0.651 41.036 42.059 -0.620 0.000 0.987 294 L HN 0.414 nan 8.230 nan 0.000 0.468 295 F N -0.684 119.073 119.950 -0.322 0.000 2.664 295 F HA -0.008 4.520 4.527 0.001 0.000 0.296 295 F C 1.096 176.770 175.800 -0.210 0.000 1.125 295 F CA -0.262 57.558 58.000 -0.300 0.000 1.444 295 F CB -0.189 38.519 39.000 -0.486 0.000 1.114 295 F HN -0.081 nan 8.300 nan 0.000 0.576 296 F N 2.032 121.850 119.950 -0.219 0.000 2.629 296 F HA -0.057 4.470 4.527 0.001 0.000 0.369 296 F C 1.253 176.952 175.800 -0.168 0.000 1.125 296 F CA -0.002 57.856 58.000 -0.236 0.000 1.330 296 F CB 0.142 38.801 39.000 -0.568 0.000 1.071 296 F HN 0.100 nan 8.300 nan 0.000 0.595 297 N N 3.189 121.237 118.700 -1.088 0.000 2.727 297 N HA -0.302 4.439 4.740 0.001 0.000 0.249 297 N C 0.006 175.257 175.510 -0.432 0.000 1.048 297 N CA 1.388 53.944 53.050 -0.823 0.000 0.714 297 N CB -1.060 36.927 38.487 -0.833 0.000 0.959 297 N HN 0.756 nan 8.380 nan 0.000 0.544 298 Q N -2.318 117.319 119.800 -0.272 0.000 2.480 298 Q HA -0.177 4.164 4.340 0.001 0.000 0.265 298 Q C 1.155 177.065 176.000 -0.149 0.000 1.072 298 Q CA 2.197 57.920 55.803 -0.132 0.000 1.018 298 Q CB -1.839 26.831 28.738 -0.113 0.000 1.433 298 Q HN 1.168 nan 8.270 nan 0.000 0.513 299 G N -1.008 107.665 108.800 -0.213 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 0.127 174.737 174.900 -0.484 0.000 0.977 299 G CA 0.417 45.346 45.100 -0.285 0.000 0.659 299 G HN 0.457 nan 8.290 nan 0.000 0.533 300 Q N 0.001 119.448 119.800 -0.588 0.000 3.122 300 Q HA 0.459 4.799 4.340 0.001 0.000 0.360 300 Q C -0.145 175.217 176.000 -1.063 0.000 1.300 300 Q CA -0.073 55.038 55.803 -1.155 0.000 0.982 300 Q CB 0.215 28.628 28.738 -0.541 0.000 1.534 300 Q HN 0.453 nan 8.270 nan 0.000 0.474 301 C N -0.085 118.759 119.300 -0.760 0.000 2.482 301 C HA 0.213 4.674 4.460 0.001 0.000 0.317 301 C C 1.641 176.693 174.990 0.102 0.000 1.197 301 C CA -0.699 58.260 59.018 -0.099 0.000 1.432 301 C CB 1.729 29.567 27.740 0.163 0.000 2.062 301 C HN 0.704 nan 8.230 nan 0.000 0.471 302 S N -0.025 115.909 115.700 0.390 0.000 2.474 302 S HA -0.126 4.344 4.470 0.001 0.000 0.235 302 S C 1.163 175.929 174.600 0.277 0.000 0.997 302 S CA 1.217 59.644 58.200 0.379 0.000 0.949 302 S CB -0.507 62.864 63.200 0.286 0.000 0.766 302 S HN 0.993 nan 8.310 nan 0.000 0.517 303 C N 1.367 120.897 119.300 0.384 0.000 2.614 303 C HA 0.804 5.264 4.460 0.001 0.000 0.299 303 C C 1.180 176.460 174.990 0.484 0.000 1.293 303 C CA -1.334 57.962 59.018 0.464 0.000 1.713 303 C CB -2.061 26.106 27.740 0.711 0.000 1.890 303 C HN 0.575 nan 8.230 nan 0.000 0.602 304 A N 1.098 124.086 122.820 0.280 0.000 2.520 304 A HA 0.451 4.772 4.320 0.001 0.000 0.235 304 A C 1.127 178.786 177.584 0.125 0.000 1.065 304 A CA 0.763 52.883 52.037 0.138 0.000 0.764 304 A CB -0.129 18.843 19.000 -0.047 0.000 1.002 304 A HN 1.151 nan 8.150 nan 0.000 0.502 305 G N 1.058 109.776 108.800 -0.136 0.000 3.008 305 G HA2 0.341 4.302 3.960 0.001 0.000 0.272 305 G HA3 0.341 4.302 3.960 0.001 0.000 0.272 305 G C 0.873 175.693 174.900 -0.133 0.000 0.764 305 G CA 0.418 45.409 45.100 -0.182 0.000 2.029 305 G HN 1.187 nan 8.290 nan 0.000 0.587 306 S N 0.770 116.442 115.700 -0.048 0.000 2.575 306 S HA 0.207 4.678 4.470 0.001 0.000 0.215 306 S C 0.946 175.505 174.600 -0.069 0.000 0.966 306 S CA -0.339 57.811 58.200 -0.084 0.000 0.911 306 S CB 0.468 63.626 63.200 -0.070 0.000 0.780 306 S HN 0.383 nan 8.310 nan 0.000 0.514 307 R N 1.768 122.246 120.500 -0.037 0.000 2.472 307 R HA 0.314 4.654 4.340 0.001 0.000 0.294 307 R C -1.261 174.954 176.300 -0.141 0.000 1.243 307 R CA -0.094 55.930 56.100 -0.128 0.000 1.023 307 R CB 1.424 31.700 30.300 -0.041 0.000 1.157 307 R HN 0.146 nan 8.270 nan 0.000 0.530 308 T N 4.086 118.530 114.554 -0.183 0.000 2.794 308 T HA 0.274 4.625 4.350 0.001 0.000 0.304 308 T C -0.201 174.409 174.700 -0.150 0.000 0.973 308 T CA -0.104 61.939 62.100 -0.096 0.000 0.972 308 T CB -0.102 68.745 68.868 -0.036 0.000 0.952 308 T HN 0.188 nan 8.240 nan 0.000 0.509 309 F N 2.708 122.693 119.950 0.058 0.000 2.421 309 F HA 0.419 4.947 4.527 0.001 0.000 0.358 309 F C 0.341 176.317 175.800 0.293 0.000 1.115 309 F CA -0.705 57.405 58.000 0.183 0.000 1.160 309 F CB 0.811 39.840 39.000 0.048 0.000 1.123 309 F HN 0.190 nan 8.300 nan 0.000 0.508 310 V N 4.037 124.208 119.914 0.427 0.000 2.487 310 V HA 0.248 4.369 4.120 0.001 0.000 0.298 310 V C -0.027 175.973 176.094 -0.158 0.000 1.028 310 V CA -1.093 61.274 62.300 0.112 0.000 0.860 310 V CB 1.458 33.169 31.823 -0.187 0.000 0.991 310 V HN 0.565 nan 8.190 nan 0.000 0.427 311 Q N 3.186 122.634 119.800 -0.587 0.000 2.361 311 Q HA 0.010 4.350 4.340 0.001 0.000 0.276 311 Q C 1.446 177.223 176.000 -0.371 0.000 1.022 311 Q CA 0.363 55.562 55.803 -1.008 0.000 0.898 311 Q CB 1.094 29.440 28.738 -0.653 0.000 1.246 311 Q HN 1.010 nan 8.270 nan 0.000 0.410 312 E N 2.528 122.530 120.200 -0.331 0.000 2.160 312 E HA -0.251 4.099 4.350 0.001 0.000 0.195 312 E C 0.288 176.868 176.600 -0.033 0.000 0.991 312 E CA 1.565 57.882 56.400 -0.140 0.000 0.810 312 E CB 0.064 29.678 29.700 -0.143 0.000 0.742 312 E HN 0.534 nan 8.360 nan 0.000 0.466 313 D N 1.242 121.611 120.400 -0.052 0.000 2.219 313 D HA -0.092 4.549 4.640 0.001 0.000 0.205 313 D C 1.979 178.304 176.300 0.041 0.000 0.970 313 D CA 1.347 55.346 54.000 -0.001 0.000 0.851 313 D CB -0.026 40.768 40.800 -0.009 0.000 0.943 313 D HN 0.618 nan 8.370 nan 0.000 0.488 314 I N -3.490 117.112 120.570 0.052 0.000 4.154 314 I HA 0.187 4.357 4.170 0.001 0.000 0.334 314 I C 1.717 177.922 176.117 0.147 0.000 1.371 314 I CA -0.528 60.829 61.300 0.094 0.000 1.110 314 I CB -0.094 37.960 38.000 0.090 0.000 1.085 314 I HN -0.231 nan 8.210 nan 0.000 0.398 315 Y N 2.811 123.120 120.300 0.016 0.000 2.097 315 Y HA -0.277 4.274 4.550 0.001 0.000 0.282 315 Y C 2.048 178.013 175.900 0.109 0.000 1.152 315 Y CA 2.253 60.380 58.100 0.045 0.000 1.136 315 Y CB -0.080 38.377 38.460 -0.004 0.000 0.975 315 Y HN 0.186 nan 8.280 nan 0.000 0.498 316 D N 0.122 120.667 120.400 0.242 0.000 2.106 316 D HA -0.234 4.406 4.640 0.001 0.000 0.191 316 D C 2.108 178.436 176.300 0.046 0.000 0.997 316 D CA 1.848 55.932 54.000 0.140 0.000 0.834 316 D CB -0.500 40.385 40.800 0.143 0.000 0.956 316 D HN 0.619 nan 8.370 nan 0.000 0.448 317 E N -0.562 119.678 120.200 0.067 0.000 2.051 317 E HA -0.190 4.161 4.350 0.001 0.000 0.192 317 E C 2.123 178.738 176.600 0.024 0.000 0.991 317 E CA 0.598 57.023 56.400 0.043 0.000 0.799 317 E CB -0.296 29.441 29.700 0.061 0.000 0.748 317 E HN 0.246 nan 8.360 nan 0.000 0.449 318 F N 0.773 120.672 119.950 -0.085 0.000 2.126 318 F HA -0.234 4.294 4.527 0.001 0.000 0.299 318 F C 2.055 177.760 175.800 -0.158 0.000 1.096 318 F CA 1.450 59.383 58.000 -0.112 0.000 1.255 318 F CB -0.134 38.797 39.000 -0.115 0.000 0.997 318 F HN -0.085 nan 8.300 nan 0.000 0.479 319 V N 0.283 120.175 119.914 -0.037 0.000 2.358 319 V HA -0.283 3.838 4.120 0.001 0.000 0.246 319 V C 2.346 178.367 176.094 -0.120 0.000 1.047 319 V CA 2.188 64.412 62.300 -0.127 0.000 1.035 319 V CB -0.697 30.978 31.823 -0.248 0.000 0.658 319 V HN 0.423 nan 8.190 nan 0.000 0.452 320 E N 0.379 120.524 120.200 -0.092 0.000 2.058 320 E HA -0.258 4.093 4.350 0.001 0.000 0.194 320 E C 2.456 178.987 176.600 -0.115 0.000 0.997 320 E CA 1.483 57.837 56.400 -0.076 0.000 0.801 320 E CB -0.053 29.620 29.700 -0.045 0.000 0.746 320 E HN 0.530 nan 8.360 nan 0.000 0.450 321 R N -0.079 120.323 120.500 -0.164 0.000 2.115 321 R HA -0.033 4.308 4.340 0.001 0.000 0.230 321 R C 2.561 178.709 176.300 -0.253 0.000 1.111 321 R CA 1.228 57.205 56.100 -0.205 0.000 0.976 321 R CB -0.072 30.086 30.300 -0.237 0.000 0.870 321 R HN 0.069 nan 8.270 nan 0.000 0.445 322 S N 0.317 115.833 115.700 -0.306 0.000 2.371 322 S HA -0.054 4.416 4.470 0.001 0.000 0.224 322 S C 2.087 176.627 174.600 -0.099 0.000 1.029 322 S CA 0.907 58.964 58.200 -0.239 0.000 0.978 322 S CB 0.033 63.081 63.200 -0.253 0.000 0.833 322 S HN 0.057 nan 8.310 nan 0.000 0.466 323 V N 2.154 122.014 119.914 -0.090 0.000 2.427 323 V HA -0.142 3.979 4.120 0.001 0.000 0.248 323 V C 2.630 178.675 176.094 -0.082 0.000 1.051 323 V CA 1.544 63.808 62.300 -0.060 0.000 1.048 323 V CB -1.205 30.588 31.823 -0.051 0.000 0.666 323 V HN 0.516 nan 8.190 nan 0.000 0.456 324 A N 0.502 123.261 122.820 -0.102 0.000 1.902 324 A HA -0.265 4.056 4.320 0.001 0.000 0.217 324 A C 2.327 179.825 177.584 -0.143 0.000 1.181 324 A CA 2.244 54.216 52.037 -0.108 0.000 0.623 324 A CB -0.502 18.434 19.000 -0.106 0.000 0.818 324 A HN 0.458 nan 8.150 nan 0.000 0.443 325 R N 0.018 120.408 120.500 -0.183 0.000 2.075 325 R HA 0.055 4.396 4.340 0.001 0.000 0.232 325 R C 2.131 178.252 176.300 -0.299 0.000 1.126 325 R CA 1.791 57.715 56.100 -0.293 0.000 0.963 325 R CB -0.818 29.256 30.300 -0.376 0.000 0.858 325 R HN 0.379 nan 8.270 nan 0.000 0.435 326 A N 0.607 123.336 122.820 -0.152 0.000 1.969 326 A HA -0.114 4.207 4.320 0.001 0.000 0.218 326 A C 1.903 179.392 177.584 -0.158 0.000 1.169 326 A CA 1.475 53.419 52.037 -0.155 0.000 0.635 326 A CB -0.344 18.632 19.000 -0.040 0.000 0.810 326 A HN 0.333 nan 8.150 nan 0.000 0.445 327 K N 0.234 120.562 120.400 -0.120 0.000 2.155 327 K HA -0.074 4.247 4.320 0.001 0.000 0.203 327 K C 2.164 178.700 176.600 -0.106 0.000 1.052 327 K CA 1.379 57.607 56.287 -0.098 0.000 0.948 327 K CB -0.125 32.329 32.500 -0.077 0.000 0.728 327 K HN 0.646 nan 8.250 nan 0.000 0.448 328 S N 0.867 116.488 115.700 -0.131 0.000 2.522 328 S HA -0.058 4.412 4.470 0.001 0.000 0.227 328 S C 0.940 175.464 174.600 -0.128 0.000 0.986 328 S CA -0.110 58.016 58.200 -0.124 0.000 0.929 328 S CB -0.153 62.966 63.200 -0.136 0.000 0.769 328 S HN 0.151 nan 8.310 nan 0.000 0.529 329 R N 1.756 122.165 120.500 -0.152 0.000 2.404 329 R HA 0.269 4.609 4.340 0.001 0.000 0.315 329 R C -1.091 175.157 176.300 -0.087 0.000 1.032 329 R CA -0.175 55.848 56.100 -0.128 0.000 0.992 329 R CB 0.285 30.485 30.300 -0.166 0.000 0.959 329 R HN 0.157 nan 8.270 nan 0.000 0.428 330 V N 6.361 126.239 119.914 -0.060 0.000 2.455 330 V HA 0.137 4.258 4.120 0.001 0.000 0.273 330 V C -0.002 176.070 176.094 -0.035 0.000 1.045 330 V CA -0.351 61.919 62.300 -0.050 0.000 0.976 330 V CB 1.382 33.179 31.823 -0.044 0.000 0.993 330 V HN 0.494 nan 8.190 nan 0.000 0.475 331 V N 5.015 124.902 119.914 -0.045 0.000 2.398 331 V HA 0.992 5.112 4.120 0.001 0.000 0.286 331 V C 0.620 176.626 176.094 -0.146 0.000 1.026 331 V CA 0.478 62.763 62.300 -0.024 0.000 0.868 331 V CB 0.966 32.803 31.823 0.024 0.000 0.982 331 V HN 1.118 nan 8.190 nan 0.000 0.443 332 G N 3.455 112.159 108.800 -0.161 0.000 2.356 332 G HA2 0.150 4.111 3.960 0.001 0.000 0.281 332 G HA3 0.150 4.111 3.960 0.001 0.000 0.281 332 G C -0.967 173.844 174.900 -0.147 0.000 1.246 332 G CA -0.862 44.015 45.100 -0.372 0.000 0.889 332 G HN 0.576 nan 8.290 nan 0.000 0.486 333 N N 1.903 120.530 118.700 -0.121 0.000 2.374 333 N HA 0.119 4.859 4.740 0.001 0.000 0.269 333 N C -0.789 174.762 175.510 0.069 0.000 1.310 333 N CA -1.038 52.042 53.050 0.049 0.000 0.877 333 N CB 1.399 39.913 38.487 0.045 0.000 1.096 333 N HN 0.109 nan 8.380 nan 0.000 0.484 334 P HA -0.111 nan 4.420 nan 0.000 0.222 334 P C 0.819 178.034 177.300 -0.141 0.000 1.147 334 P CA 1.194 64.244 63.100 -0.084 0.000 0.790 334 P CB -0.045 31.528 31.700 -0.211 0.000 0.780 335 F N -0.403 119.574 119.950 0.046 0.000 2.780 335 F HA 0.077 4.604 4.527 0.001 0.000 0.299 335 F C 1.270 177.075 175.800 0.008 0.000 1.146 335 F CA 0.032 58.038 58.000 0.011 0.000 1.428 335 F CB -0.054 38.907 39.000 -0.065 0.000 1.115 335 F HN -0.131 nan 8.300 nan 0.000 0.583 336 D N 0.151 120.641 120.400 0.150 0.000 2.277 336 D HA 0.007 4.647 4.640 0.001 0.000 0.249 336 D C 1.239 177.584 176.300 0.076 0.000 1.134 336 D CA 0.233 54.284 54.000 0.086 0.000 0.863 336 D CB 1.555 42.378 40.800 0.038 0.000 1.143 336 D HN 0.133 nan 8.370 nan 0.000 0.458 337 S N 3.505 119.249 115.700 0.073 0.000 2.419 337 S HA -0.206 4.264 4.470 0.001 0.000 0.233 337 S C 1.363 175.990 174.600 0.043 0.000 1.016 337 S CA 0.840 59.083 58.200 0.071 0.000 0.974 337 S CB -0.203 63.035 63.200 0.063 0.000 0.786 337 S HN 0.656 nan 8.310 nan 0.000 0.492 338 K N 0.539 120.954 120.400 0.025 0.000 2.444 338 K HA 0.147 4.467 4.320 0.001 0.000 0.193 338 K C -0.155 176.448 176.600 0.004 0.000 1.024 338 K CA 0.159 56.452 56.287 0.009 0.000 1.077 338 K CB -0.353 32.145 32.500 -0.004 0.000 0.833 338 K HN 0.100 nan 8.250 nan 0.000 0.517 339 T N 2.708 117.269 114.554 0.012 0.000 2.779 339 T HA 0.075 4.425 4.350 0.001 0.000 0.296 339 T C 0.481 175.192 174.700 0.018 0.000 0.938 339 T CA -0.089 62.016 62.100 0.007 0.000 1.119 339 T CB 1.286 70.162 68.868 0.013 0.000 0.891 339 T HN 0.258 nan 8.240 nan 0.000 0.526 340 E N 2.011 122.220 120.200 0.015 0.000 2.364 340 E HA 0.052 4.403 4.350 0.001 0.000 0.196 340 E C 0.752 177.364 176.600 0.021 0.000 0.990 340 E CA 0.159 56.577 56.400 0.030 0.000 0.886 340 E CB 0.621 30.342 29.700 0.036 0.000 0.866 340 E HN 0.533 nan 8.360 nan 0.000 0.493 341 Q N 0.501 120.315 119.800 0.024 0.000 2.290 341 Q HA 0.390 4.731 4.340 0.001 0.000 0.269 341 Q C -0.386 175.676 176.000 0.104 0.000 1.016 341 Q CA -0.600 55.225 55.803 0.037 0.000 0.754 341 Q CB 1.611 30.378 28.738 0.048 0.000 1.247 341 Q HN 0.134 nan 8.270 nan 0.000 0.451 342 G N 3.397 112.233 108.800 0.059 0.000 2.494 342 G HA2 0.500 4.461 3.960 0.001 0.000 0.270 342 G HA3 0.500 4.461 3.960 0.001 0.000 0.270 342 G C -2.486 172.424 174.900 0.016 0.000 1.423 342 G CA -0.807 44.361 45.100 0.112 0.000 1.055 342 G HN 0.547 nan 8.290 nan 0.000 0.536 343 P HA 0.248 nan 4.420 nan 0.000 0.280 343 P C -0.730 176.409 177.300 -0.269 0.000 1.272 343 P CA -0.585 62.111 63.100 -0.674 0.000 0.819 343 P CB 0.989 31.971 31.700 -1.197 0.000 1.122 344 Q N -0.132 119.576 119.800 -0.152 0.000 2.471 344 Q HA 0.057 4.398 4.340 0.001 0.000 0.223 344 Q C 1.274 177.174 176.000 -0.167 0.000 1.045 344 Q CA -0.315 55.437 55.803 -0.084 0.000 0.956 344 Q CB -0.050 28.703 28.738 0.024 0.000 1.249 344 Q HN 0.189 nan 8.270 nan 0.000 0.549 345 V N 0.190 119.929 119.914 -0.292 0.000 2.427 345 V HA -0.175 3.946 4.120 0.001 0.000 0.248 345 V C 0.239 176.073 176.094 -0.432 0.000 1.051 345 V CA 2.513 64.549 62.300 -0.441 0.000 1.048 345 V CB -0.065 31.172 31.823 -0.978 0.000 0.666 345 V HN 0.973 nan 8.190 nan 0.000 0.456 346 D N -3.205 116.856 120.400 -0.566 0.000 2.759 346 D HA 0.115 4.755 4.640 0.001 0.000 0.321 346 D C 0.674 176.328 176.300 -1.076 0.000 1.267 346 D CA -0.091 53.462 54.000 -0.745 0.000 0.933 346 D CB 0.653 41.155 40.800 -0.496 0.000 1.431 346 D HN -0.028 nan 8.370 nan 0.000 0.504 347 E N -0.727 118.807 120.200 -1.110 0.000 2.106 347 E HA -0.129 4.221 4.350 0.001 0.000 0.192 347 E C 1.145 177.606 176.600 -0.231 0.000 0.984 347 E CA 1.508 57.498 56.400 -0.683 0.000 0.806 347 E CB -0.042 29.483 29.700 -0.293 0.000 0.750 347 E HN 0.505 nan 8.360 nan 0.000 0.458 348 T N 1.244 115.660 114.554 -0.229 0.000 2.652 348 T HA -0.184 4.166 4.350 0.001 0.000 0.267 348 T C 1.796 176.445 174.700 -0.085 0.000 1.039 348 T CA 1.311 63.334 62.100 -0.128 0.000 1.153 348 T CB -0.183 68.609 68.868 -0.125 0.000 0.863 348 T HN 0.159 nan 8.240 nan 0.000 0.428 349 Q N 0.168 119.898 119.800 -0.117 0.000 2.050 349 Q HA -0.043 4.298 4.340 0.001 0.000 0.202 349 Q C 2.085 178.111 176.000 0.044 0.000 0.980 349 Q CA 1.179 56.974 55.803 -0.013 0.000 0.840 349 Q CB -0.900 27.802 28.738 -0.059 0.000 0.898 349 Q HN 0.523 nan 8.270 nan 0.000 0.424 350 F N 2.347 122.190 119.950 -0.177 0.000 2.032 350 F HA -0.312 4.215 4.527 0.001 0.000 0.297 350 F C 1.913 177.697 175.800 -0.026 0.000 1.125 350 F CA 1.827 59.768 58.000 -0.098 0.000 1.202 350 F CB -0.193 38.711 39.000 -0.161 0.000 0.958 350 F HN -0.016 nan 8.300 nan 0.000 0.491 351 K N 0.554 120.838 120.400 -0.193 0.000 2.097 351 K HA -0.177 4.143 4.320 0.001 0.000 0.205 351 K C 2.149 178.649 176.600 -0.168 0.000 1.050 351 K CA 1.370 57.490 56.287 -0.279 0.000 0.938 351 K CB -0.640 31.777 32.500 -0.139 0.000 0.718 351 K HN 0.383 nan 8.250 nan 0.000 0.442 352 K N 1.179 121.533 120.400 -0.077 0.000 2.009 352 K HA -0.102 4.219 4.320 0.001 0.000 0.210 352 K C 2.196 178.823 176.600 0.046 0.000 1.049 352 K CA 1.215 57.481 56.287 -0.036 0.000 0.929 352 K CB -0.155 32.373 32.500 0.047 0.000 0.714 352 K HN -0.010 nan 8.250 nan 0.000 0.440 353 I N 1.276 121.918 120.570 0.120 0.000 2.163 353 I HA -0.333 3.838 4.170 0.001 0.000 0.243 353 I C 2.266 178.446 176.117 0.105 0.000 1.085 353 I CA 1.260 62.676 61.300 0.193 0.000 1.347 353 I CB -0.313 37.773 38.000 0.144 0.000 1.044 353 I HN 0.202 nan 8.210 nan 0.000 0.408 354 L N 0.486 121.674 121.223 -0.059 0.000 2.079 354 L HA -0.171 4.169 4.340 0.001 0.000 0.210 354 L C 2.678 179.520 176.870 -0.047 0.000 1.081 354 L CA 1.537 56.320 54.840 -0.096 0.000 0.752 354 L CB -1.144 40.749 42.059 -0.277 0.000 0.896 354 L HN 0.367 nan 8.230 nan 0.000 0.433 355 G N -1.203 107.543 108.800 -0.090 0.000 2.422 355 G HA2 -0.282 3.679 3.960 0.001 0.000 0.218 355 G HA3 -0.282 3.679 3.960 0.001 0.000 0.218 355 G C 1.371 176.206 174.900 -0.108 0.000 1.146 355 G CA 0.542 45.562 45.100 -0.134 0.000 0.769 355 G HN 0.318 nan 8.290 nan 0.000 0.547 356 Y N 0.411 120.718 120.300 0.012 0.000 2.242 356 Y HA 0.038 4.589 4.550 0.001 0.000 0.291 356 Y C 2.743 178.680 175.900 0.062 0.000 1.137 356 Y CA 0.548 58.664 58.100 0.027 0.000 1.181 356 Y CB -0.003 38.483 38.460 0.043 0.000 0.989 356 Y HN 0.123 nan 8.280 nan 0.000 0.527 357 I N -0.012 120.719 120.570 0.269 0.000 2.226 357 I HA -0.333 3.837 4.170 0.001 0.000 0.245 357 I C 1.741 178.014 176.117 0.260 0.000 1.100 357 I CA 1.082 62.586 61.300 0.340 0.000 1.374 357 I CB -0.423 37.721 38.000 0.240 0.000 1.057 357 I HN 0.285 nan 8.210 nan 0.000 0.413 358 N N 0.556 119.332 118.700 0.126 0.000 2.120 358 N HA -0.139 4.602 4.740 0.001 0.000 0.188 358 N C 1.848 177.388 175.510 0.051 0.000 1.024 358 N CA 1.846 54.941 53.050 0.076 0.000 0.852 358 N CB -0.751 37.747 38.487 0.018 0.000 1.003 358 N HN 0.326 nan 8.380 nan 0.000 0.424 359 T N -0.107 114.463 114.554 0.027 0.000 2.833 359 T HA -0.049 4.301 4.350 0.001 0.000 0.269 359 T C 1.918 176.584 174.700 -0.055 0.000 1.054 359 T CA 1.306 63.402 62.100 -0.006 0.000 1.135 359 T CB -0.569 68.303 68.868 0.006 0.000 0.869 359 T HN 0.396 nan 8.240 nan 0.000 0.466 360 G N 1.974 110.698 108.800 -0.126 0.000 2.404 360 G HA2 -0.160 3.801 3.960 0.001 0.000 0.215 360 G HA3 -0.160 3.801 3.960 0.001 0.000 0.215 360 G C 1.574 176.323 174.900 -0.252 0.000 1.174 360 G CA 0.446 45.271 45.100 -0.459 0.000 0.780 360 G HN 0.436 nan 8.290 nan 0.000 0.537 361 K N 0.273 120.699 120.400 0.044 0.000 2.063 361 K HA -0.107 4.213 4.320 0.001 0.000 0.208 361 K C 2.638 179.268 176.600 0.051 0.000 1.048 361 K CA 1.269 57.642 56.287 0.143 0.000 0.928 361 K CB -0.247 32.359 32.500 0.177 0.000 0.713 361 K HN 0.343 nan 8.250 nan 0.000 0.442 362 Q N 0.903 120.715 119.800 0.021 0.000 2.084 362 Q HA -0.175 4.166 4.340 0.001 0.000 0.202 362 Q C 1.684 177.681 176.000 -0.006 0.000 0.978 362 Q CA 1.499 57.308 55.803 0.009 0.000 0.844 362 Q CB -0.053 28.686 28.738 0.002 0.000 0.898 362 Q HN 0.561 nan 8.270 nan 0.000 0.426 363 E N -0.647 119.534 120.200 -0.031 0.000 2.403 363 E HA 0.127 4.478 4.350 0.001 0.000 0.187 363 E C 0.834 177.415 176.600 -0.032 0.000 1.073 363 E CA 0.524 56.904 56.400 -0.034 0.000 0.888 363 E CB 0.314 29.986 29.700 -0.047 0.000 1.035 363 E HN 0.375 nan 8.360 nan 0.000 0.471 364 G N 0.797 109.587 108.800 -0.016 0.000 2.232 364 G HA2 -0.304 3.656 3.960 0.001 0.000 0.226 364 G HA3 -0.304 3.656 3.960 0.001 0.000 0.226 364 G C 0.528 175.439 174.900 0.019 0.000 0.996 364 G CA -0.225 44.879 45.100 0.006 0.000 0.626 364 G HN 0.692 nan 8.290 nan 0.000 0.509 365 A N 0.691 123.491 122.820 -0.034 0.000 2.567 365 A HA 0.458 4.778 4.320 0.001 0.000 0.240 365 A C 0.669 178.375 177.584 0.202 0.000 1.053 365 A CA 1.305 53.338 52.037 -0.006 0.000 0.755 365 A CB 0.140 18.932 19.000 -0.347 0.000 0.978 365 A HN 0.669 nan 8.150 nan 0.000 0.507 366 K N 3.162 123.715 120.400 0.255 0.000 2.220 366 K HA 0.248 4.568 4.320 0.001 0.000 0.283 366 K C -0.428 176.345 176.600 0.289 0.000 1.098 366 K CA -0.486 55.943 56.287 0.237 0.000 0.928 366 K CB -0.045 32.554 32.500 0.165 0.000 1.214 366 K HN 0.615 nan 8.250 nan 0.000 0.442 367 L N 5.927 127.306 121.223 0.260 0.000 2.562 367 L HA -0.002 4.338 4.340 0.001 0.000 0.271 367 L C 0.230 177.075 176.870 -0.042 0.000 1.167 367 L CA 0.747 55.578 54.840 -0.015 0.000 0.917 367 L CB 0.323 42.377 42.059 -0.007 0.000 1.187 367 L HN 0.788 nan 8.230 nan 0.000 0.482 368 L N 4.916 126.078 121.223 -0.100 0.000 2.515 368 L HA 0.221 4.562 4.340 0.001 0.000 0.223 368 L C 0.424 177.256 176.870 -0.064 0.000 1.079 368 L CA 0.235 55.048 54.840 -0.046 0.000 0.857 368 L CB 0.135 42.184 42.059 -0.017 0.000 1.050 368 L HN 0.851 nan 8.230 nan 0.000 0.476 369 C N -3.295 115.940 119.300 -0.108 0.000 3.292 369 C HA 0.727 5.187 4.460 0.001 0.000 0.338 369 C C 0.825 175.756 174.990 -0.098 0.000 1.323 369 C CA -0.546 58.424 59.018 -0.081 0.000 1.232 369 C CB 0.858 28.563 27.740 -0.057 0.000 1.517 369 C HN 0.611 nan 8.230 nan 0.000 0.470 370 G N 1.071 109.835 108.800 -0.060 0.000 2.611 370 G HA2 0.310 4.270 3.960 0.001 0.000 0.301 370 G HA3 0.310 4.270 3.960 0.001 0.000 0.301 370 G C 1.417 176.286 174.900 -0.053 0.000 1.233 370 G CA 2.677 47.752 45.100 -0.042 0.000 0.993 370 G HN 3.320 nan 8.290 nan 0.000 0.553 371 G N -2.380 106.391 108.800 -0.048 0.000 2.201 371 G HA2 0.421 4.382 3.960 0.001 0.000 0.212 371 G HA3 0.421 4.382 3.960 0.001 0.000 0.212 371 G C 1.441 176.348 174.900 0.013 0.000 0.994 371 G CA 0.968 46.043 45.100 -0.042 0.000 0.644 371 G HN 2.534 nan 8.290 nan 0.000 0.508 372 G N -0.857 107.960 108.800 0.029 0.000 3.085 372 G HA2 0.668 4.629 3.960 0.001 0.000 0.264 372 G HA3 0.668 4.629 3.960 0.001 0.000 0.264 372 G C -0.577 174.381 174.900 0.095 0.000 1.206 372 G CA -0.586 44.542 45.100 0.047 0.000 0.809 372 G HN 0.592 nan 8.290 nan 0.000 0.592 373 I N 1.372 122.017 120.570 0.124 0.000 2.519 373 I HA 0.388 4.559 4.170 0.001 0.000 0.287 373 I C 1.329 177.547 176.117 0.169 0.000 1.047 373 I CA -0.318 61.117 61.300 0.225 0.000 1.381 373 I CB 1.916 40.086 38.000 0.284 0.000 1.417 373 I HN 0.554 nan 8.210 nan 0.000 0.540 374 A N 4.719 127.660 122.820 0.201 0.000 2.115 374 A HA 0.655 4.975 4.320 0.001 0.000 0.211 374 A C 0.803 178.415 177.584 0.047 0.000 1.169 374 A CA 0.607 52.713 52.037 0.116 0.000 0.787 374 A CB 0.202 19.288 19.000 0.143 0.000 0.858 374 A HN 0.778 nan 8.150 nan 0.000 0.474 375 A N -0.141 122.734 122.820 0.092 0.000 2.594 375 A HA 0.528 4.848 4.320 0.001 0.000 0.295 375 A C -0.230 177.386 177.584 0.054 0.000 1.071 375 A CA 0.160 52.203 52.037 0.009 0.000 0.685 375 A CB 0.633 19.548 19.000 -0.142 0.000 1.285 375 A HN 0.160 nan 8.150 nan 0.000 0.405 376 D N -0.039 120.367 120.400 0.011 0.000 2.347 376 D HA 0.034 4.675 4.640 0.001 0.000 0.213 376 D C 0.599 176.894 176.300 -0.008 0.000 0.985 376 D CA 0.584 54.593 54.000 0.015 0.000 0.879 376 D CB 0.202 41.004 40.800 0.003 0.000 0.919 376 D HN 0.439 nan 8.370 nan 0.000 0.526 377 R N 0.032 120.524 120.500 -0.013 0.000 2.451 377 R HA 0.516 4.857 4.340 0.001 0.000 0.307 377 R C -0.281 176.016 176.300 -0.005 0.000 0.965 377 R CA 0.081 56.156 56.100 -0.043 0.000 0.865 377 R CB 1.073 31.350 30.300 -0.038 0.000 1.174 377 R HN 0.159 nan 8.270 nan 0.000 0.455 378 G N 2.595 111.246 108.800 -0.248 0.000 2.663 378 G HA2 -0.246 3.714 3.960 0.001 0.000 0.686 378 G HA3 -0.246 3.714 3.960 0.001 0.000 0.686 378 G C -0.903 173.563 174.900 -0.722 0.000 1.288 378 G CA -0.645 44.132 45.100 -0.539 0.000 0.836 378 G HN 0.630 nan 8.290 nan 0.000 0.584 379 Y N -0.080 119.774 120.300 -0.743 0.000 2.994 379 Y HA 0.474 5.024 4.550 0.001 0.000 0.393 379 Y C 0.859 176.345 175.900 -0.690 0.000 1.118 379 Y CA -0.661 56.821 58.100 -1.030 0.000 1.906 379 Y CB -0.299 37.703 38.460 -0.764 0.000 1.925 379 Y HN 0.324 nan 8.280 nan 0.000 0.446 380 F N 1.471 121.318 119.950 -0.171 0.000 2.410 380 F HA 0.418 4.946 4.527 0.001 0.000 0.348 380 F C 0.302 176.213 175.800 0.185 0.000 1.106 380 F CA -0.692 57.315 58.000 0.012 0.000 1.163 380 F CB 0.601 39.584 39.000 -0.029 0.000 1.129 380 F HN 0.024 nan 8.300 nan 0.000 0.516 381 I N 2.702 123.482 120.570 0.350 0.000 2.509 381 I HA 0.232 4.402 4.170 0.001 0.000 0.293 381 I C -0.455 175.784 176.117 0.203 0.000 1.020 381 I CA -1.037 60.445 61.300 0.304 0.000 1.088 381 I CB 1.951 40.114 38.000 0.272 0.000 1.267 381 I HN 0.523 nan 8.210 nan 0.000 0.430 382 Q N 5.892 125.783 119.800 0.151 0.000 2.337 382 Q HA 0.157 4.497 4.340 0.001 0.000 0.270 382 Q C -2.270 173.788 176.000 0.098 0.000 1.002 382 Q CA -1.541 54.317 55.803 0.093 0.000 0.888 382 Q CB 0.110 28.881 28.738 0.055 0.000 1.222 382 Q HN 0.243 nan 8.270 nan 0.000 0.400 383 P HA -0.052 nan 4.420 nan 0.000 0.261 383 P C -1.078 176.299 177.300 0.129 0.000 1.203 383 P CA 0.558 63.724 63.100 0.111 0.000 0.767 383 P CB 0.463 32.055 31.700 -0.181 0.000 0.785 384 T N 3.127 117.807 114.554 0.210 0.000 2.823 384 T HA 0.466 4.817 4.350 0.001 0.000 0.279 384 T C -0.246 174.460 174.700 0.009 0.000 0.998 384 T CA -0.443 61.665 62.100 0.015 0.000 0.994 384 T CB 1.038 69.858 68.868 -0.080 0.000 0.960 384 T HN -0.054 nan 8.240 nan 0.000 0.448 385 V N 3.687 123.527 119.914 -0.124 0.000 2.540 385 V HA 0.539 4.659 4.120 0.001 0.000 0.302 385 V C -0.983 174.968 176.094 -0.238 0.000 1.035 385 V CA -0.918 61.333 62.300 -0.081 0.000 0.873 385 V CB 1.388 33.223 31.823 0.020 0.000 0.992 385 V HN 0.839 nan 8.190 nan 0.000 0.428 386 F N 2.252 122.226 119.950 0.040 0.000 2.444 386 F HA 0.759 5.287 4.527 0.001 0.000 0.342 386 F C 0.897 176.727 175.800 0.049 0.000 1.121 386 F CA -0.340 57.684 58.000 0.039 0.000 0.997 386 F CB 2.094 41.110 39.000 0.026 0.000 1.130 386 F HN 0.616 nan 8.300 nan 0.000 0.454 387 G N 0.803 109.767 108.800 0.274 0.000 2.509 387 G HA2 0.354 4.315 3.960 0.001 0.000 0.328 387 G HA3 0.354 4.315 3.960 0.001 0.000 0.328 387 G C -0.597 174.449 174.900 0.243 0.000 1.194 387 G CA -0.624 44.618 45.100 0.236 0.000 0.967 387 G HN 0.729 nan 8.290 nan 0.000 0.488 388 D N -1.109 119.464 120.400 0.290 0.000 2.723 388 D HA -0.164 4.477 4.640 0.001 0.000 0.236 388 D C 0.422 176.780 176.300 0.096 0.000 1.138 388 D CA 0.643 54.742 54.000 0.165 0.000 0.676 388 D CB -1.103 39.770 40.800 0.121 0.000 1.069 388 D HN 0.189 nan 8.370 nan 0.000 0.430 389 V N 1.051 121.019 119.914 0.090 0.000 2.583 389 V HA 0.093 4.213 4.120 0.001 0.000 0.287 389 V C 0.795 176.889 176.094 0.000 0.000 1.051 389 V CA -0.062 62.248 62.300 0.017 0.000 1.010 389 V CB 1.779 33.596 31.823 -0.010 0.000 0.988 389 V HN 0.042 nan 8.190 nan 0.000 0.478 390 Q N 2.177 121.972 119.800 -0.008 0.000 2.257 390 Q HA 0.356 4.697 4.340 0.001 0.000 0.262 390 Q C 0.423 176.432 176.000 0.015 0.000 0.997 390 Q CA -0.790 55.020 55.803 0.012 0.000 0.873 390 Q CB 1.370 30.116 28.738 0.012 0.000 1.312 390 Q HN 0.638 nan 8.270 nan 0.000 0.450 391 D N 1.335 121.764 120.400 0.049 0.000 2.182 391 D HA -0.128 4.512 4.640 0.001 0.000 0.201 391 D C 1.536 177.860 176.300 0.041 0.000 0.986 391 D CA 1.711 55.751 54.000 0.067 0.000 0.847 391 D CB -0.085 40.776 40.800 0.102 0.000 0.942 391 D HN 0.832 nan 8.370 nan 0.000 0.467 392 G N -0.021 108.796 108.800 0.029 0.000 2.534 392 G HA2 -0.075 3.886 3.960 0.001 0.000 0.217 392 G HA3 -0.075 3.886 3.960 0.001 0.000 0.217 392 G C 0.793 175.698 174.900 0.009 0.000 1.128 392 G CA -0.120 44.992 45.100 0.019 0.000 0.784 392 G HN 0.182 nan 8.290 nan 0.000 0.542 393 M N 1.109 120.706 119.600 -0.005 0.000 2.239 393 M HA 0.107 4.587 4.480 0.001 0.000 0.348 393 M C 1.778 178.070 176.300 -0.013 0.000 1.239 393 M CA -0.073 55.211 55.300 -0.025 0.000 1.114 393 M CB 0.922 33.484 32.600 -0.063 0.000 1.641 393 M HN -0.062 nan 8.290 nan 0.000 0.453 394 T N 2.901 117.455 114.554 0.000 0.000 2.737 394 T HA -0.157 4.194 4.350 0.001 0.000 0.269 394 T C 1.524 176.246 174.700 0.036 0.000 1.040 394 T CA 1.841 63.969 62.100 0.047 0.000 1.142 394 T CB -0.504 68.415 68.868 0.087 0.000 0.861 394 T HN 0.780 nan 8.240 nan 0.000 0.456 395 I N -0.370 120.184 120.570 -0.027 0.000 2.830 395 I HA 0.221 4.392 4.170 0.001 0.000 0.263 395 I C 2.298 178.365 176.117 -0.083 0.000 1.230 395 I CA 0.832 62.081 61.300 -0.085 0.000 1.480 395 I CB -0.388 37.509 38.000 -0.171 0.000 1.095 395 I HN 0.079 nan 8.210 nan 0.000 0.455 396 A N 0.944 123.732 122.820 -0.054 0.000 2.275 396 A HA 0.179 4.500 4.320 0.001 0.000 0.212 396 A C 2.095 179.690 177.584 0.018 0.000 1.201 396 A CA 0.286 52.304 52.037 -0.032 0.000 0.843 396 A CB -0.136 18.845 19.000 -0.031 0.000 0.873 396 A HN 0.467 nan 8.150 nan 0.000 0.492 397 K N -0.463 119.954 120.400 0.029 0.000 2.362 397 K HA 0.169 4.490 4.320 0.001 0.000 0.203 397 K C -0.030 176.641 176.600 0.119 0.000 1.198 397 K CA 0.211 56.544 56.287 0.077 0.000 0.908 397 K CB 0.475 33.013 32.500 0.064 0.000 1.236 397 K HN 0.375 nan 8.250 nan 0.000 0.487 398 E N 1.962 122.200 120.200 0.062 0.000 2.231 398 E HA 0.085 4.435 4.350 0.001 0.000 0.277 398 E C -0.964 175.570 176.600 -0.111 0.000 0.999 398 E CA -0.311 56.128 56.400 0.064 0.000 0.827 398 E CB 1.614 31.390 29.700 0.126 0.000 1.101 398 E HN 0.082 nan 8.360 nan 0.000 0.393 399 E N 2.961 123.129 120.200 -0.053 0.000 2.351 399 E HA -0.009 4.341 4.350 0.001 0.000 0.266 399 E C 0.294 176.758 176.600 -0.228 0.000 1.031 399 E CA 0.017 56.339 56.400 -0.129 0.000 0.911 399 E CB 0.452 30.077 29.700 -0.126 0.000 0.986 399 E HN 0.525 nan 8.360 nan 0.000 0.446 400 I N 4.341 124.759 120.570 -0.255 0.000 2.585 400 I HA -0.052 4.118 4.170 0.001 0.000 0.254 400 I C 0.504 176.692 176.117 0.117 0.000 1.129 400 I CA 0.032 61.163 61.300 -0.282 0.000 1.455 400 I CB 0.114 37.957 38.000 -0.262 0.000 1.111 400 I HN 0.689 nan 8.210 nan 0.000 0.433 401 F N 1.670 121.571 119.950 -0.082 0.000 3.080 401 F HA -0.183 4.345 4.527 0.001 0.000 0.292 401 F C 0.394 176.212 175.800 0.030 0.000 0.891 401 F CA 0.632 58.628 58.000 -0.007 0.000 1.086 401 F CB -1.310 37.725 39.000 0.058 0.000 1.095 401 F HN 0.164 nan 8.300 nan 0.000 0.633 402 G N -1.055 107.751 108.800 0.009 0.000 2.687 402 G HA2 0.622 4.582 3.960 0.001 0.000 0.291 402 G HA3 0.622 4.582 3.960 0.001 0.000 0.291 402 G C -3.008 171.850 174.900 -0.070 0.000 1.420 402 G CA -0.846 44.257 45.100 0.004 0.000 0.796 402 G HN -0.232 nan 8.290 nan 0.000 0.485 403 P HA 0.289 nan 4.420 nan 0.000 0.238 403 P C -0.546 176.737 177.300 -0.027 0.000 1.714 403 P CA -0.090 63.025 63.100 0.025 0.000 0.908 403 P CB 0.161 32.032 31.700 0.284 0.000 1.893 404 V N 1.927 121.746 119.914 -0.158 0.000 2.376 404 V HA 0.372 4.492 4.120 0.001 0.000 0.287 404 V C 0.085 176.087 176.094 -0.153 0.000 1.015 404 V CA -0.649 61.613 62.300 -0.062 0.000 0.834 404 V CB 1.824 33.698 31.823 0.086 0.000 1.001 404 V HN 0.244 nan 8.190 nan 0.000 0.428 405 M N 4.396 123.904 119.600 -0.153 0.000 2.180 405 M HA 0.603 5.084 4.480 0.001 0.000 0.350 405 M C -0.854 175.466 176.300 0.033 0.000 1.125 405 M CA -0.348 54.857 55.300 -0.157 0.000 1.031 405 M CB 1.442 33.928 32.600 -0.190 0.000 1.623 405 M HN 0.595 nan 8.290 nan 0.000 0.451 406 Q N 5.322 125.123 119.800 0.001 0.000 2.314 406 Q HA 0.569 4.909 4.340 0.001 0.000 0.259 406 Q C -1.237 174.758 176.000 -0.009 0.000 0.951 406 Q CA 0.095 55.918 55.803 0.033 0.000 0.909 406 Q CB 1.590 30.307 28.738 -0.035 0.000 1.236 406 Q HN 0.727 nan 8.270 nan 0.000 0.444 407 I N 4.348 124.950 120.570 0.053 0.000 2.355 407 I HA 0.367 4.538 4.170 0.001 0.000 0.288 407 I C -0.926 175.263 176.117 0.120 0.000 0.999 407 I CA -0.814 60.520 61.300 0.056 0.000 1.163 407 I CB 0.699 38.746 38.000 0.078 0.000 1.316 407 I HN 0.329 nan 8.210 nan 0.000 0.454 408 L N 6.272 127.514 121.223 0.031 0.000 2.303 408 L HA 0.583 4.924 4.340 0.001 0.000 0.266 408 L C -0.163 176.871 176.870 0.273 0.000 1.011 408 L CA -0.611 54.267 54.840 0.064 0.000 0.818 408 L CB 1.256 43.164 42.059 -0.252 0.000 1.326 408 L HN 0.439 nan 8.230 nan 0.000 0.435 409 K N 1.140 121.638 120.400 0.163 0.000 2.270 409 K HA 0.699 5.020 4.320 0.001 0.000 0.255 409 K C -1.568 175.167 176.600 0.225 0.000 0.936 409 K CA -0.490 55.833 56.287 0.060 0.000 0.809 409 K CB 1.470 33.653 32.500 -0.528 0.000 1.131 409 K HN 0.535 nan 8.250 nan 0.000 0.427 410 F N 1.161 121.175 119.950 0.106 0.000 2.629 410 F HA 0.491 5.018 4.527 0.001 0.000 0.316 410 F C 0.328 176.159 175.800 0.053 0.000 1.081 410 F CA -0.933 57.126 58.000 0.098 0.000 0.954 410 F CB 1.605 40.694 39.000 0.147 0.000 1.337 410 F HN 0.520 nan 8.300 nan 0.000 0.474 411 K N -0.076 120.411 120.400 0.145 0.000 2.266 411 K HA 0.194 4.515 4.320 0.001 0.000 0.209 411 K C 0.330 177.008 176.600 0.131 0.000 1.065 411 K CA 1.033 57.330 56.287 0.017 0.000 0.946 411 K CB 0.235 32.757 32.500 0.037 0.000 1.069 411 K HN 0.909 nan 8.250 nan 0.000 0.472 412 T N -2.129 112.588 114.554 0.272 0.000 2.952 412 T HA 0.267 4.618 4.350 0.001 0.000 0.286 412 T C 1.163 176.032 174.700 0.283 0.000 1.024 412 T CA -0.848 61.384 62.100 0.220 0.000 1.029 412 T CB 1.436 70.370 68.868 0.110 0.000 1.094 412 T HN 0.177 nan 8.240 nan 0.000 0.515 413 I N 0.355 121.025 120.570 0.167 0.000 2.353 413 I HA -0.050 4.121 4.170 0.001 0.000 0.248 413 I C 2.236 178.400 176.117 0.077 0.000 1.119 413 I CA 1.359 62.725 61.300 0.110 0.000 1.417 413 I CB -0.041 37.989 38.000 0.051 0.000 1.078 413 I HN 0.786 nan 8.210 nan 0.000 0.421 414 E N 0.588 120.828 120.200 0.065 0.000 2.110 414 E HA -0.287 4.064 4.350 0.001 0.000 0.193 414 E C 1.945 178.559 176.600 0.024 0.000 0.988 414 E CA 1.374 57.820 56.400 0.077 0.000 0.804 414 E CB -0.198 29.535 29.700 0.054 0.000 0.745 414 E HN 0.527 nan 8.360 nan 0.000 0.458 415 E N 0.470 120.684 120.200 0.023 0.000 2.031 415 E HA -0.194 4.157 4.350 0.001 0.000 0.193 415 E C 2.116 178.642 176.600 -0.124 0.000 0.994 415 E CA 1.308 57.709 56.400 0.001 0.000 0.800 415 E CB -0.088 29.661 29.700 0.083 0.000 0.752 415 E HN 0.179 nan 8.360 nan 0.000 0.447 416 V N 0.398 120.152 119.914 -0.267 0.000 2.427 416 V HA -0.183 3.937 4.120 0.001 0.000 0.248 416 V C 2.355 178.126 176.094 -0.538 0.000 1.051 416 V CA 1.361 63.264 62.300 -0.661 0.000 1.048 416 V CB 0.027 31.037 31.823 -1.355 0.000 0.666 416 V HN 0.240 nan 8.190 nan 0.000 0.456 417 V N 0.749 120.489 119.914 -0.290 0.000 2.287 417 V HA -0.217 3.903 4.120 0.001 0.000 0.248 417 V C 2.638 178.620 176.094 -0.185 0.000 1.053 417 V CA 2.426 64.604 62.300 -0.204 0.000 1.027 417 V CB -1.292 30.484 31.823 -0.079 0.000 0.646 417 V HN 0.647 nan 8.190 nan 0.000 0.447 418 G N -0.911 107.808 108.800 -0.135 0.000 2.408 418 G HA2 -0.192 3.769 3.960 0.001 0.000 0.217 418 G HA3 -0.192 3.769 3.960 0.001 0.000 0.217 418 G C 1.736 176.573 174.900 -0.106 0.000 1.150 418 G CA 0.524 45.569 45.100 -0.092 0.000 0.776 418 G HN 0.453 nan 8.290 nan 0.000 0.542 419 R N 0.394 120.790 120.500 -0.173 0.000 2.075 419 R HA 0.184 4.525 4.340 0.001 0.000 0.226 419 R C 3.028 179.226 176.300 -0.170 0.000 1.114 419 R CA 0.923 56.944 56.100 -0.132 0.000 0.972 419 R CB -0.320 29.917 30.300 -0.106 0.000 0.869 419 R HN 0.306 nan 8.270 nan 0.000 0.437 420 A N 1.791 124.358 122.820 -0.421 0.000 1.883 420 A HA -0.192 4.129 4.320 0.001 0.000 0.217 420 A C 1.707 179.243 177.584 -0.080 0.000 1.186 420 A CA 1.646 53.514 52.037 -0.281 0.000 0.624 420 A CB -0.457 18.317 19.000 -0.377 0.000 0.822 420 A HN 0.225 nan 8.150 nan 0.000 0.444 421 N N 0.207 118.847 118.700 -0.098 0.000 2.396 421 N HA -0.080 4.661 4.740 0.001 0.000 0.180 421 N C 0.421 175.924 175.510 -0.012 0.000 1.028 421 N CA 0.510 53.532 53.050 -0.046 0.000 0.893 421 N CB -0.570 37.881 38.487 -0.061 0.000 0.967 421 N HN 0.455 nan 8.380 nan 0.000 0.440 422 N N 1.032 119.727 118.700 -0.008 0.000 2.744 422 N HA 0.016 4.756 4.740 0.001 0.000 0.290 422 N C -1.286 174.247 175.510 0.038 0.000 1.206 422 N CA 0.103 53.160 53.050 0.012 0.000 1.119 422 N CB -0.256 38.240 38.487 0.016 0.000 1.449 422 N HN -0.056 nan 8.380 nan 0.000 0.514 423 S N 0.239 115.958 115.700 0.031 0.000 2.543 423 S HA 0.247 4.717 4.470 0.001 0.000 0.274 423 S C 0.731 175.327 174.600 -0.006 0.000 1.149 423 S CA -0.400 57.826 58.200 0.042 0.000 0.866 423 S CB 0.271 63.539 63.200 0.114 0.000 1.111 423 S HN 0.405 nan 8.310 nan 0.000 0.457 424 T N 0.658 115.155 114.554 -0.096 0.000 3.148 424 T HA 0.278 4.629 4.350 0.001 0.000 0.253 424 T C 0.340 174.918 174.700 -0.204 0.000 1.134 424 T CA 0.418 62.410 62.100 -0.179 0.000 1.051 424 T CB -0.554 68.150 68.868 -0.273 0.000 0.959 424 T HN 0.540 nan 8.240 nan 0.000 0.525 425 Y N 0.329 120.649 120.300 0.033 0.000 2.376 425 Y HA 0.586 5.136 4.550 0.001 0.000 0.325 425 Y C 1.229 177.148 175.900 0.032 0.000 1.199 425 Y CA -1.011 57.111 58.100 0.036 0.000 1.206 425 Y CB 1.901 40.387 38.460 0.044 0.000 1.229 425 Y HN 0.109 nan 8.280 nan 0.000 0.480 426 G N 1.757 110.682 108.800 0.209 0.000 5.302 426 G HA2 0.102 4.063 3.960 0.001 0.000 0.223 426 G HA3 0.102 4.063 3.960 0.001 0.000 0.223 426 G C 0.044 174.920 174.900 -0.040 0.000 0.832 426 G CA -0.168 44.981 45.100 0.083 0.000 0.714 426 G HN 0.556 nan 8.290 nan 0.000 0.444 427 L N 0.767 121.979 121.223 -0.018 0.000 2.007 427 L HA 0.700 5.040 4.340 0.001 0.000 0.205 427 L C 1.169 177.918 176.870 -0.201 0.000 1.073 427 L CA 2.213 56.986 54.840 -0.111 0.000 0.744 427 L CB -0.187 41.864 42.059 -0.013 0.000 0.898 427 L HN 0.334 nan 8.230 nan 0.000 0.435 428 A N -2.163 120.599 122.820 -0.097 0.000 2.564 428 A HA 0.903 5.224 4.320 0.001 0.000 0.288 428 A C -1.379 176.162 177.584 -0.071 0.000 1.164 428 A CA -0.068 51.859 52.037 -0.184 0.000 0.712 428 A CB 1.148 20.090 19.000 -0.096 0.000 1.303 428 A HN 0.541 nan 8.150 nan 0.000 0.418 429 A N -1.113 121.636 122.820 -0.118 0.000 2.601 429 A HA 0.981 5.302 4.320 0.001 0.000 0.291 429 A C -0.721 176.952 177.584 0.148 0.000 1.075 429 A CA 0.063 52.142 52.037 0.071 0.000 0.671 429 A CB 0.769 19.759 19.000 -0.017 0.000 1.277 429 A HN 2.650 nan 8.150 nan 0.000 0.417 430 A N -0.185 122.834 122.820 0.332 0.000 2.515 430 A HA 0.772 5.092 4.320 0.001 0.000 0.298 430 A C -1.501 176.298 177.584 0.357 0.000 1.059 430 A CA -0.487 51.797 52.037 0.413 0.000 0.698 430 A CB 1.616 21.094 19.000 0.796 0.000 1.289 430 A HN 1.702 nan 8.150 nan 0.000 0.404 431 V N 1.445 121.508 119.914 0.248 0.000 2.531 431 V HA 0.541 4.661 4.120 0.001 0.000 0.301 431 V C -1.502 174.687 176.094 0.159 0.000 1.034 431 V CA -0.244 62.190 62.300 0.224 0.000 0.865 431 V CB 1.294 33.181 31.823 0.107 0.000 0.995 431 V HN 0.702 nan 8.190 nan 0.000 0.424 432 F N 2.934 122.995 119.950 0.185 0.000 2.375 432 F HA 0.759 5.287 4.527 0.001 0.000 0.361 432 F C 0.374 176.282 175.800 0.180 0.000 1.117 432 F CA -0.196 57.924 58.000 0.200 0.000 1.037 432 F CB 1.996 41.120 39.000 0.207 0.000 1.192 432 F HN 0.507 nan 8.300 nan 0.000 0.452 433 T N 2.046 116.748 114.554 0.247 0.000 2.827 433 T HA 0.280 4.630 4.350 0.001 0.000 0.328 433 T C 0.059 174.842 174.700 0.139 0.000 1.598 433 T CA -0.717 61.498 62.100 0.192 0.000 1.043 433 T CB 1.375 70.339 68.868 0.161 0.000 1.447 433 T HN 0.640 nan 8.240 nan 0.000 0.491 434 K N 0.846 121.318 120.400 0.120 0.000 2.367 434 K HA 0.186 4.506 4.320 0.001 0.000 0.194 434 K C -0.166 176.473 176.600 0.066 0.000 1.027 434 K CA -0.104 56.235 56.287 0.087 0.000 1.075 434 K CB 0.266 32.815 32.500 0.082 0.000 0.845 434 K HN 0.494 nan 8.250 nan 0.000 0.529 435 D N 1.105 121.549 120.400 0.072 0.000 2.295 435 D HA 0.019 4.659 4.640 0.001 0.000 0.248 435 D C 0.885 177.218 176.300 0.054 0.000 1.154 435 D CA -0.309 53.726 54.000 0.058 0.000 0.857 435 D CB 1.027 41.863 40.800 0.060 0.000 1.117 435 D HN -0.164 nan 8.370 nan 0.000 0.468 436 L N 4.178 125.427 121.223 0.043 0.000 1.989 436 L HA -0.143 4.197 4.340 0.001 0.000 0.211 436 L C 1.246 178.145 176.870 0.048 0.000 1.071 436 L CA 1.998 56.861 54.840 0.039 0.000 0.749 436 L CB -0.490 41.587 42.059 0.030 0.000 0.890 436 L HN 0.518 nan 8.230 nan 0.000 0.431 437 D N -0.510 119.918 120.400 0.047 0.000 2.144 437 D HA -0.152 4.489 4.640 0.001 0.000 0.200 437 D C 2.204 178.558 176.300 0.090 0.000 0.978 437 D CA 1.201 55.235 54.000 0.057 0.000 0.833 437 D CB -0.042 40.777 40.800 0.032 0.000 0.961 437 D HN 0.393 nan 8.370 nan 0.000 0.470 438 K N 0.615 121.063 120.400 0.081 0.000 2.026 438 K HA -0.058 4.262 4.320 0.001 0.000 0.208 438 K C 2.139 178.828 176.600 0.147 0.000 1.048 438 K CA 1.157 57.514 56.287 0.118 0.000 0.929 438 K CB -0.106 32.454 32.500 0.100 0.000 0.713 438 K HN 0.023 nan 8.250 nan 0.000 0.439 439 A N 2.154 125.034 122.820 0.100 0.000 1.865 439 A HA -0.229 4.092 4.320 0.001 0.000 0.217 439 A C 1.893 179.514 177.584 0.062 0.000 1.191 439 A CA 1.879 53.959 52.037 0.073 0.000 0.623 439 A CB -0.599 18.430 19.000 0.048 0.000 0.826 439 A HN 0.233 nan 8.150 nan 0.000 0.444 440 N N -1.587 117.154 118.700 0.069 0.000 2.166 440 N HA -0.158 4.582 4.740 0.001 0.000 0.186 440 N C 1.580 177.132 175.510 0.070 0.000 1.019 440 N CA 1.653 54.735 53.050 0.054 0.000 0.856 440 N CB -0.629 37.890 38.487 0.054 0.000 0.993 440 N HN 0.674 nan 8.380 nan 0.000 0.426 441 Y N 1.421 121.718 120.300 -0.004 0.000 2.128 441 Y HA -0.103 4.448 4.550 0.001 0.000 0.284 441 Y C 2.136 178.024 175.900 -0.021 0.000 1.154 441 Y CA 1.498 59.593 58.100 -0.009 0.000 1.149 441 Y CB -0.440 38.018 38.460 -0.003 0.000 0.976 441 Y HN -0.022 nan 8.280 nan 0.000 0.505 442 L N -0.294 120.917 121.223 -0.020 0.000 2.109 442 L HA -0.154 4.187 4.340 0.001 0.000 0.207 442 L C 2.747 179.529 176.870 -0.146 0.000 1.086 442 L CA 1.343 56.108 54.840 -0.126 0.000 0.760 442 L CB -0.728 41.345 42.059 0.023 0.000 0.910 442 L HN 0.378 nan 8.230 nan 0.000 0.437 443 S N -0.939 114.707 115.700 -0.090 0.000 2.423 443 S HA -0.270 4.200 4.470 0.001 0.000 0.231 443 S C 1.896 176.419 174.600 -0.128 0.000 1.014 443 S CA 1.219 59.357 58.200 -0.103 0.000 0.965 443 S CB -0.278 62.879 63.200 -0.071 0.000 0.785 443 S HN 0.506 nan 8.310 nan 0.000 0.495 444 Q N 0.907 120.627 119.800 -0.134 0.000 2.123 444 Q HA 0.166 4.506 4.340 0.001 0.000 0.196 444 Q C 2.191 178.088 176.000 -0.173 0.000 0.958 444 Q CA 0.990 56.714 55.803 -0.131 0.000 0.841 444 Q CB -0.407 28.267 28.738 -0.106 0.000 0.915 444 Q HN 0.703 nan 8.270 nan 0.000 0.455 445 A N 0.514 123.165 122.820 -0.282 0.000 2.016 445 A HA 0.123 4.443 4.320 0.001 0.000 0.217 445 A C 0.898 178.355 177.584 -0.211 0.000 1.162 445 A CA 0.018 51.869 52.037 -0.309 0.000 0.662 445 A CB -0.199 18.451 19.000 -0.584 0.000 0.812 445 A HN 0.350 nan 8.150 nan 0.000 0.450 446 L N 1.044 122.149 121.223 -0.196 0.000 2.462 446 L HA 0.050 4.391 4.340 0.001 0.000 0.272 446 L C 0.130 176.916 176.870 -0.141 0.000 1.166 446 L CA -0.131 54.613 54.840 -0.160 0.000 0.880 446 L CB 0.630 42.594 42.059 -0.158 0.000 1.142 446 L HN 0.389 nan 8.230 nan 0.000 0.473 447 Q N 3.765 123.510 119.800 -0.091 0.000 3.027 447 Q HA 0.451 4.791 4.340 0.001 0.000 0.260 447 Q C -0.355 175.539 176.000 -0.176 0.000 1.379 447 Q CA -0.252 55.546 55.803 -0.008 0.000 1.038 447 Q CB 0.622 29.410 28.738 0.083 0.000 1.578 447 Q HN 0.673 nan 8.270 nan 0.000 0.571 448 A N -0.409 122.085 122.820 -0.544 0.000 2.539 448 A HA 0.698 5.019 4.320 0.001 0.000 0.296 448 A C 0.871 177.756 177.584 -1.165 0.000 1.073 448 A CA -0.435 51.195 52.037 -0.679 0.000 0.700 448 A CB 1.231 20.004 19.000 -0.379 0.000 1.296 448 A HN 0.521 nan 8.150 nan 0.000 0.405 449 G N -0.165 108.065 108.800 -0.951 0.000 2.421 449 G HA2 0.290 4.251 3.960 0.001 0.000 0.217 449 G HA3 0.290 4.251 3.960 0.001 0.000 0.217 449 G C 0.479 175.038 174.900 -0.568 0.000 1.143 449 G CA 1.579 46.231 45.100 -0.748 0.000 0.784 449 G HN 0.792 nan 8.290 nan 0.000 0.541 450 T N 0.074 114.275 114.554 -0.587 0.000 2.841 450 T HA 0.507 4.858 4.350 0.001 0.000 0.285 450 T C -0.994 173.260 174.700 -0.743 0.000 0.991 450 T CA -0.395 61.297 62.100 -0.680 0.000 0.966 450 T CB 2.603 70.959 68.868 -0.852 0.000 0.962 450 T HN -0.090 nan 8.240 nan 0.000 0.438 451 V N 4.009 123.558 119.914 -0.609 0.000 2.357 451 V HA 0.424 4.545 4.120 0.001 0.000 0.284 451 V C -0.566 175.288 176.094 -0.401 0.000 1.018 451 V CA -1.042 60.997 62.300 -0.436 0.000 0.841 451 V CB 1.058 32.728 31.823 -0.256 0.000 0.991 451 V HN 0.762 nan 8.190 nan 0.000 0.437 452 W N 3.525 124.720 121.300 -0.176 0.000 2.365 452 W HA 0.609 5.270 4.660 0.001 0.000 0.316 452 W C -0.532 175.899 176.519 -0.147 0.000 1.164 452 W CA -0.707 56.533 57.345 -0.175 0.000 1.204 452 W CB 1.835 31.157 29.460 -0.231 0.000 1.213 452 W HN 0.263 nan 8.180 nan 0.000 0.539 453 V N 4.903 124.855 119.914 0.065 0.000 2.378 453 V HA 0.128 4.248 4.120 0.001 0.000 0.288 453 V C 0.244 176.214 176.094 -0.206 0.000 1.016 453 V CA -0.851 61.404 62.300 -0.075 0.000 0.840 453 V CB 1.062 32.866 31.823 -0.032 0.000 0.994 453 V HN 0.671 nan 8.190 nan 0.000 0.431 454 N N 2.129 120.461 118.700 -0.614 0.000 2.741 454 N HA -0.176 4.565 4.740 0.001 0.000 0.250 454 N C -0.260 175.080 175.510 -0.282 0.000 1.115 454 N CA 1.294 53.921 53.050 -0.707 0.000 0.724 454 N CB -1.111 37.323 38.487 -0.088 0.000 1.090 454 N HN 1.040 nan 8.380 nan 0.000 0.558 455 C N -4.170 114.904 119.300 -0.376 0.000 3.284 455 C HA 0.808 5.269 4.460 0.001 0.000 0.348 455 C C -1.092 173.965 174.990 0.112 0.000 1.448 455 C CA -1.316 57.748 59.018 0.077 0.000 1.223 455 C CB 1.822 29.606 27.740 0.073 0.000 1.588 455 C HN 0.254 nan 8.230 nan 0.000 0.451 456 Y N -0.114 120.032 120.300 -0.257 0.000 2.558 456 Y HA 0.463 5.014 4.550 0.001 0.000 0.333 456 Y C -0.357 174.960 175.900 -0.972 0.000 1.125 456 Y CA 0.408 58.113 58.100 -0.658 0.000 1.039 456 Y CB 1.369 39.758 38.460 -0.119 0.000 1.331 456 Y HN 1.018 nan 8.280 nan 0.000 0.456 457 D N 1.722 120.944 120.400 -1.964 0.000 2.751 457 D HA -0.142 4.498 4.640 0.001 0.000 0.233 457 D C -0.879 175.094 176.300 -0.545 0.000 1.149 457 D CA 0.915 54.357 54.000 -0.930 0.000 0.682 457 D CB -1.073 39.651 40.800 -0.128 0.000 1.068 457 D HN 0.155 nan 8.370 nan 0.000 0.429 458 V N 1.293 120.668 119.914 -0.897 0.000 2.356 458 V HA 0.251 4.372 4.120 0.001 0.000 0.258 458 V C 0.463 176.496 176.094 -0.102 0.000 1.065 458 V CA -0.071 62.079 62.300 -0.249 0.000 0.935 458 V CB -0.104 31.634 31.823 -0.141 0.000 1.061 458 V HN -0.006 nan 8.190 nan 0.000 0.484 459 F N 2.777 122.752 119.950 0.041 0.000 2.469 459 F HA 0.789 5.316 4.527 0.001 0.000 0.332 459 F C 0.762 176.566 175.800 0.007 0.000 1.103 459 F CA -0.462 57.561 58.000 0.039 0.000 0.979 459 F CB 2.151 41.164 39.000 0.021 0.000 1.137 459 F HN 0.496 nan 8.300 nan 0.000 0.463 460 G N 0.461 109.333 108.800 0.120 0.000 2.591 460 G HA2 0.521 4.482 3.960 0.001 0.000 0.306 460 G HA3 0.521 4.482 3.960 0.001 0.000 0.306 460 G C 0.187 175.012 174.900 -0.124 0.000 1.334 460 G CA -0.428 44.673 45.100 0.003 0.000 0.981 460 G HN 0.858 nan 8.290 nan 0.000 0.491 461 A N 0.874 123.550 122.820 -0.241 0.000 2.076 461 A HA -0.079 4.241 4.320 0.001 0.000 0.220 461 A C 2.126 179.159 177.584 -0.919 0.000 1.160 461 A CA 1.902 53.631 52.037 -0.513 0.000 0.653 461 A CB -0.163 18.515 19.000 -0.537 0.000 0.801 461 A HN 0.588 nan 8.150 nan 0.000 0.455 462 Q N -0.065 119.306 119.800 -0.716 0.000 2.245 462 Q HA 0.119 4.459 4.340 0.001 0.000 0.201 462 Q C 0.420 176.358 176.000 -0.103 0.000 0.955 462 Q CA 0.842 56.371 55.803 -0.456 0.000 0.870 462 Q CB 0.079 28.711 28.738 -0.176 0.000 0.945 462 Q HN 0.472 nan 8.270 nan 0.000 0.461 463 S N 2.266 117.911 115.700 -0.091 0.000 2.442 463 S HA 0.373 4.843 4.470 0.001 0.000 0.297 463 S C -2.459 172.141 174.600 0.000 0.000 1.131 463 S CA -1.378 56.820 58.200 -0.004 0.000 1.092 463 S CB 1.159 64.349 63.200 -0.017 0.000 0.998 463 S HN 0.059 nan 8.310 nan 0.000 0.478 464 P HA 0.285 nan 4.420 nan 0.000 0.272 464 P C -0.974 176.336 177.300 0.018 0.000 1.223 464 P CA -0.270 62.838 63.100 0.013 0.000 0.784 464 P CB 0.399 32.040 31.700 -0.098 0.000 0.923 465 F N 1.181 121.045 119.950 -0.144 0.000 2.581 465 F HA 0.688 5.215 4.527 0.001 0.000 0.311 465 F C -0.453 175.311 175.800 -0.060 0.000 1.113 465 F CA 0.125 58.059 58.000 -0.110 0.000 0.935 465 F CB 2.102 41.098 39.000 -0.008 0.000 1.232 465 F HN 0.657 nan 8.300 nan 0.000 0.445 466 G N 2.138 110.449 108.800 -0.814 0.000 2.356 466 G HA2 0.484 4.445 3.960 0.001 0.000 0.294 466 G HA3 0.484 4.445 3.960 0.001 0.000 0.294 466 G C -1.569 173.051 174.900 -0.466 0.000 1.423 466 G CA -0.220 44.547 45.100 -0.555 0.000 0.806 466 G HN 1.030 nan 8.290 nan 0.000 0.527 467 G N -1.378 107.285 108.800 -0.229 0.000 2.434 467 G HA2 0.611 4.572 3.960 0.001 0.000 0.330 467 G HA3 0.611 4.572 3.960 0.001 0.000 0.330 467 G C -1.238 173.742 174.900 0.134 0.000 1.155 467 G CA -0.457 44.586 45.100 -0.094 0.000 0.917 467 G HN 0.403 nan 8.290 nan 0.000 0.493 468 Y N 0.303 120.541 120.300 -0.104 0.000 2.545 468 Y HA 0.430 4.981 4.550 0.001 0.000 0.324 468 Y C 1.455 177.333 175.900 -0.036 0.000 1.220 468 Y CA -1.215 56.839 58.100 -0.076 0.000 1.290 468 Y CB 1.333 39.745 38.460 -0.079 0.000 1.355 468 Y HN 0.838 nan 8.280 nan 0.000 0.516 469 K N -0.404 120.049 120.400 0.089 0.000 1.931 469 K HA -0.338 3.983 4.320 0.001 0.000 0.126 469 K C 0.440 177.061 176.600 0.034 0.000 1.372 469 K CA 1.967 58.275 56.287 0.035 0.000 0.483 469 K CB -1.038 31.491 32.500 0.049 0.000 0.562 469 K HN 0.623 nan 8.250 nan 0.000 0.923 470 M N 1.149 120.767 119.600 0.030 0.000 2.631 470 M HA 0.060 4.541 4.480 0.001 0.000 0.241 470 M C 0.247 176.649 176.300 0.170 0.000 1.255 470 M CA 0.313 55.637 55.300 0.040 0.000 0.983 470 M CB 0.475 33.038 32.600 -0.062 0.000 1.580 470 M HN 0.314 nan 8.290 nan 0.000 0.464 471 S N 0.179 115.992 115.700 0.188 0.000 2.577 471 S HA 0.501 4.971 4.470 0.001 0.000 0.219 471 S C 0.673 175.326 174.600 0.087 0.000 0.962 471 S CA 0.217 58.528 58.200 0.184 0.000 0.921 471 S CB 0.080 63.366 63.200 0.144 0.000 0.789 471 S HN 0.727 nan 8.310 nan 0.000 0.497 472 G N 1.317 110.163 108.800 0.076 0.000 2.423 472 G HA2 0.131 4.091 3.960 0.001 0.000 0.684 472 G HA3 0.131 4.091 3.960 0.001 0.000 0.684 472 G C -0.851 174.059 174.900 0.018 0.000 1.309 472 G CA -0.575 44.553 45.100 0.048 0.000 0.950 472 G HN 0.709 nan 8.290 nan 0.000 0.587 473 S N -0.695 115.008 115.700 0.005 0.000 2.538 473 S HA 1.040 5.511 4.470 0.001 0.000 0.288 473 S C 0.462 175.046 174.600 -0.027 0.000 1.108 473 S CA 0.460 58.648 58.200 -0.020 0.000 0.971 473 S CB 1.672 64.857 63.200 -0.026 0.000 1.041 473 S HN 3.010 nan 8.310 nan 0.000 0.483 474 G N 1.897 110.672 108.800 -0.041 0.000 2.712 474 G HA2 0.118 4.078 3.960 0.001 0.000 0.683 474 G HA3 0.118 4.078 3.960 0.001 0.000 0.683 474 G C -1.437 173.433 174.900 -0.050 0.000 1.320 474 G CA -1.115 43.960 45.100 -0.042 0.000 0.847 474 G HN 0.799 nan 8.290 nan 0.000 0.553 475 R N 0.189 120.668 120.500 -0.035 0.000 2.807 475 R HA 0.685 5.025 4.340 0.001 0.000 0.276 475 R C -0.030 176.281 176.300 0.019 0.000 0.979 475 R CA -0.710 55.366 56.100 -0.041 0.000 0.928 475 R CB 1.778 32.027 30.300 -0.085 0.000 1.191 475 R HN 0.780 nan 8.270 nan 0.000 0.471 476 E N 1.067 121.282 120.200 0.026 0.000 2.316 476 E HA 0.602 4.953 4.350 0.001 0.000 0.258 476 E C -0.303 176.293 176.600 -0.007 0.000 0.952 476 E CA -0.971 55.445 56.400 0.027 0.000 0.818 476 E CB 1.543 31.252 29.700 0.014 0.000 1.260 476 E HN 0.304 nan 8.360 nan 0.000 0.416 477 L N -0.333 120.883 121.223 -0.011 0.000 0.588 477 L HA -0.294 4.047 4.340 0.001 0.000 0.356 477 L C 0.722 177.711 176.870 0.199 0.000 0.994 477 L CA 0.910 55.782 54.840 0.053 0.000 1.223 477 L CB -1.505 40.415 42.059 -0.232 0.000 0.021 477 L HN 1.003 nan 8.230 nan 0.000 0.092 478 G N -0.026 108.874 108.800 0.166 0.000 2.752 478 G HA2 -0.300 3.661 3.960 0.001 0.000 0.234 478 G HA3 -0.300 3.661 3.960 0.001 0.000 0.234 478 G C 0.411 175.498 174.900 0.311 0.000 1.367 478 G CA 0.882 46.163 45.100 0.301 0.000 0.879 478 G HN 1.178 nan 8.290 nan 0.000 0.563 479 E N -0.997 119.316 120.200 0.189 0.000 2.153 479 E HA -0.124 4.227 4.350 0.001 0.000 0.194 479 E C 2.103 178.487 176.600 -0.360 0.000 0.988 479 E CA 1.838 58.032 56.400 -0.343 0.000 0.811 479 E CB -0.156 29.409 29.700 -0.226 0.000 0.746 479 E HN 0.640 nan 8.360 nan 0.000 0.466 480 Y N -0.339 119.931 120.300 -0.050 0.000 2.274 480 Y HA -0.026 4.525 4.550 0.001 0.000 0.290 480 Y C 2.444 178.310 175.900 -0.056 0.000 1.145 480 Y CA 0.980 59.055 58.100 -0.040 0.000 1.203 480 Y CB -0.558 37.902 38.460 -0.000 0.000 0.984 480 Y HN 0.145 nan 8.280 nan 0.000 0.533 481 G N -0.222 108.666 108.800 0.147 0.000 2.586 481 G HA2 -0.147 3.813 3.960 0.001 0.000 0.215 481 G HA3 -0.147 3.813 3.960 0.001 0.000 0.215 481 G C 1.437 176.356 174.900 0.032 0.000 1.128 481 G CA 0.612 45.780 45.100 0.114 0.000 0.774 481 G HN 0.389 nan 8.290 nan 0.000 0.543 482 L N -0.880 120.243 121.223 -0.166 0.000 2.307 482 L HA 0.058 4.399 4.340 0.001 0.000 0.211 482 L C 2.937 179.665 176.870 -0.237 0.000 1.099 482 L CA 0.397 55.017 54.840 -0.367 0.000 0.816 482 L CB -0.224 41.200 42.059 -1.058 0.000 0.952 482 L HN 0.217 nan 8.230 nan 0.000 0.455 483 Q N 0.206 119.923 119.800 -0.138 0.000 2.124 483 Q HA -0.150 4.191 4.340 0.001 0.000 0.202 483 Q C 2.364 178.332 176.000 -0.054 0.000 0.977 483 Q CA 1.519 57.307 55.803 -0.026 0.000 0.850 483 Q CB -0.182 28.573 28.738 0.029 0.000 0.901 483 Q HN 0.536 nan 8.270 nan 0.000 0.429 484 A N -0.402 122.357 122.820 -0.101 0.000 2.121 484 A HA -0.120 4.200 4.320 0.001 0.000 0.218 484 A C 0.909 178.244 177.584 -0.415 0.000 1.154 484 A CA 0.881 52.763 52.037 -0.259 0.000 0.679 484 A CB -0.238 18.556 19.000 -0.343 0.000 0.795 484 A HN 0.410 nan 8.150 nan 0.000 0.458 485 Y N -0.709 119.553 120.300 -0.063 0.000 2.555 485 Y HA 0.223 4.774 4.550 0.001 0.000 0.259 485 Y C 0.341 176.234 175.900 -0.011 0.000 1.179 485 Y CA 0.029 58.102 58.100 -0.046 0.000 1.230 485 Y CB 0.653 39.072 38.460 -0.068 0.000 1.146 485 Y HN 0.057 nan 8.280 nan 0.000 0.526 486 T N 0.896 115.495 114.554 0.076 0.000 2.841 486 T HA 0.341 4.692 4.350 0.001 0.000 0.283 486 T C -0.745 173.964 174.700 0.014 0.000 1.000 486 T CA -0.853 61.300 62.100 0.089 0.000 0.977 486 T CB 1.765 70.730 68.868 0.161 0.000 0.979 486 T HN -0.072 nan 8.240 nan 0.000 0.446 487 K N 2.254 122.676 120.400 0.036 0.000 2.206 487 K HA 0.646 4.966 4.320 0.001 0.000 0.264 487 K C -1.004 175.590 176.600 -0.009 0.000 0.967 487 K CA -0.657 55.636 56.287 0.009 0.000 0.844 487 K CB 1.393 33.924 32.500 0.052 0.000 1.099 487 K HN 0.312 nan 8.250 nan 0.000 0.441 488 V N 4.374 124.261 119.914 -0.045 0.000 2.407 488 V HA 0.257 4.377 4.120 0.001 0.000 0.278 488 V C -0.106 175.992 176.094 0.008 0.000 1.037 488 V CA -0.557 61.729 62.300 -0.024 0.000 0.900 488 V CB 1.183 32.967 31.823 -0.065 0.000 0.983 488 V HN 0.656 nan 8.190 nan 0.000 0.459 489 K N 3.093 123.512 120.400 0.032 0.000 2.244 489 K HA 0.537 4.857 4.320 0.001 0.000 0.260 489 K C -0.613 175.945 176.600 -0.071 0.000 0.951 489 K CA -0.373 55.904 56.287 -0.017 0.000 0.826 489 K CB 1.494 33.990 32.500 -0.008 0.000 1.108 489 K HN 0.695 nan 8.250 nan 0.000 0.433 490 T N 3.105 117.586 114.554 -0.122 0.000 2.767 490 T HA 0.293 4.644 4.350 0.001 0.000 0.284 490 T C -0.719 173.789 174.700 -0.320 0.000 0.973 490 T CA -0.568 61.408 62.100 -0.208 0.000 0.996 490 T CB 1.139 69.912 68.868 -0.158 0.000 0.927 490 T HN 0.291 nan 8.240 nan 0.000 0.456 491 V N 4.031 123.591 119.914 -0.590 0.000 2.384 491 V HA 0.508 4.629 4.120 0.001 0.000 0.287 491 V C 0.163 175.880 176.094 -0.629 0.000 1.020 491 V CA -0.685 61.207 62.300 -0.680 0.000 0.850 491 V CB 1.736 32.927 31.823 -1.053 0.000 0.987 491 V HN 0.940 nan 8.190 nan 0.000 0.436 492 T N 4.511 118.856 114.554 -0.348 0.000 2.847 492 T HA 0.555 4.906 4.350 0.001 0.000 0.291 492 T C -0.506 174.150 174.700 -0.074 0.000 0.998 492 T CA -0.340 61.622 62.100 -0.230 0.000 0.967 492 T CB 1.448 70.166 68.868 -0.250 0.000 0.954 492 T HN 0.344 nan 8.240 nan 0.000 0.441 493 V N 3.991 123.944 119.914 0.065 0.000 2.448 493 V HA 0.452 4.572 4.120 0.001 0.000 0.295 493 V C 0.378 176.674 176.094 0.337 0.000 1.025 493 V CA -1.161 61.250 62.300 0.186 0.000 0.859 493 V CB 1.797 33.754 31.823 0.223 0.000 0.988 493 V HN 0.734 nan 8.190 nan 0.000 0.431 494 K N 4.121 124.707 120.400 0.311 0.000 2.416 494 K HA 0.420 4.740 4.320 0.001 0.000 0.283 494 K C -0.493 176.167 176.600 0.100 0.000 1.037 494 K CA -0.116 56.307 56.287 0.226 0.000 0.995 494 K CB 0.897 33.499 32.500 0.170 0.000 0.938 494 K HN 0.679 nan 8.250 nan 0.000 0.475 495 V N 2.041 121.955 119.914 -0.001 0.000 3.001 495 V HA 0.417 4.538 4.120 0.001 0.000 0.314 495 V C -2.212 173.843 176.094 -0.064 0.000 1.099 495 V CA -1.920 60.381 62.300 0.002 0.000 0.989 495 V CB 1.403 33.251 31.823 0.041 0.000 1.040 495 V HN 0.652 nan 8.190 nan 0.000 0.434 496 P HA -0.040 nan 4.420 nan 0.000 0.215 496 P C 0.053 177.312 177.300 -0.068 0.000 1.157 496 P CA 1.239 64.308 63.100 -0.051 0.000 0.868 496 P CB 0.156 31.837 31.700 -0.032 0.000 0.788 497 Q N -0.899 118.864 119.800 -0.062 0.000 2.371 497 Q HA 0.144 4.484 4.340 0.001 0.000 0.244 497 Q C -1.108 174.861 176.000 -0.052 0.000 0.882 497 Q CA -0.730 55.035 55.803 -0.063 0.000 0.866 497 Q CB 1.128 29.838 28.738 -0.047 0.000 1.399 497 Q HN -0.221 nan 8.270 nan 0.000 0.432 498 K N 3.998 124.365 120.400 -0.054 0.000 2.368 498 K HA 0.272 4.592 4.320 0.001 0.000 0.282 498 K C -1.102 175.487 176.600 -0.020 0.000 1.035 498 K CA 0.283 56.554 56.287 -0.026 0.000 0.973 498 K CB 0.517 33.011 32.500 -0.009 0.000 0.957 498 K HN 0.719 nan 8.250 nan 0.000 0.474 499 N N 1.271 119.960 118.700 -0.018 0.000 2.312 499 N HA 0.138 4.878 4.740 0.001 0.000 0.296 499 N C -0.488 175.017 175.510 -0.010 0.000 1.193 499 N CA -0.522 52.519 53.050 -0.016 0.000 0.773 499 N CB 1.727 40.200 38.487 -0.023 0.000 1.435 499 N HN 0.664 nan 8.380 nan 0.000 0.484 500 S N 0.000 115.697 115.700 -0.005 0.000 2.498 500 S HA 0.000 4.471 4.470 0.001 0.000 0.327 500 S CA 0.000 58.199 58.200 -0.001 0.000 1.107 500 S CB 0.000 63.201 63.200 0.001 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517