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 2onp_1_A DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGQE LGEYGLQAYT EVKTVTVKVP QKNS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.580 177.584 -0.006 0.000 1.274 7 A CA 0.000 52.054 52.037 0.028 0.000 0.836 7 A CB 0.000 19.020 19.000 0.034 0.000 0.831 8 V N 3.589 123.464 119.914 -0.064 0.000 2.417 8 V HA 0.530 4.650 4.120 -0.000 0.000 0.291 8 V C -2.004 173.985 176.094 -0.176 0.000 1.024 8 V CA -1.436 60.717 62.300 -0.246 0.000 0.861 8 V CB 1.371 33.076 31.823 -0.196 0.000 0.985 8 V HN 0.832 nan 8.190 nan 0.000 0.436 9 P HA 0.293 nan 4.420 nan 0.000 0.269 9 P C -0.224 177.080 177.300 0.008 0.000 1.209 9 P CA -0.088 62.962 63.100 -0.083 0.000 0.776 9 P CB 0.503 32.167 31.700 -0.059 0.000 0.876 10 A N 4.786 127.602 122.820 -0.006 0.000 2.520 10 A HA 0.309 4.629 4.320 -0.000 0.000 0.245 10 A C -1.707 175.806 177.584 -0.118 0.000 1.072 10 A CA -0.652 51.359 52.037 -0.044 0.000 0.761 10 A CB -0.988 17.983 19.000 -0.048 0.000 1.004 10 A HN 0.432 nan 8.150 nan 0.000 0.499 11 P HA 0.160 nan 4.420 nan 0.000 0.279 11 P C -0.879 176.206 177.300 -0.359 0.000 1.252 11 P CA -0.736 62.040 63.100 -0.541 0.000 0.811 11 P CB 0.808 31.734 31.700 -1.290 0.000 1.035 12 N N 1.497 120.029 118.700 -0.281 0.000 2.437 12 N HA 0.040 4.780 4.740 -0.000 0.000 0.243 12 N C 0.774 175.989 175.510 -0.492 0.000 1.041 12 N CA 0.038 52.934 53.050 -0.256 0.000 0.940 12 N CB 0.443 38.876 38.487 -0.090 0.000 1.133 12 N HN 0.247 nan 8.380 nan 0.000 0.506 13 Q N 1.801 121.174 119.800 -0.712 0.000 2.500 13 Q HA -0.039 4.301 4.340 -0.000 0.000 0.213 13 Q C -0.215 175.339 176.000 -0.743 0.000 0.974 13 Q CA 0.911 55.941 55.803 -1.288 0.000 0.918 13 Q CB 0.233 28.372 28.738 -0.998 0.000 0.980 13 Q HN 0.639 nan 8.270 nan 0.000 0.505 14 Q N 0.928 120.492 119.800 -0.394 0.000 3.230 14 Q HA 0.234 4.574 4.340 -0.000 0.000 0.303 14 Q C -2.481 173.436 176.000 -0.138 0.000 0.884 14 Q CA -1.417 54.257 55.803 -0.216 0.000 0.859 14 Q CB 1.357 29.993 28.738 -0.170 0.000 1.432 14 Q HN 0.112 nan 8.270 nan 0.000 0.403 15 P HA -0.049 nan 4.420 nan 0.000 0.271 15 P C -0.377 176.911 177.300 -0.020 0.000 1.216 15 P CA 0.051 63.154 63.100 0.004 0.000 0.776 15 P CB 1.070 32.747 31.700 -0.039 0.000 0.881 16 E N 1.716 121.903 120.200 -0.022 0.000 2.354 16 E HA 0.207 4.557 4.350 -0.000 0.000 0.269 16 E C -0.798 175.558 176.600 -0.407 0.000 1.036 16 E CA -0.665 55.558 56.400 -0.295 0.000 0.876 16 E CB 0.730 30.127 29.700 -0.504 0.000 1.009 16 E HN 0.149 nan 8.360 nan 0.000 0.416 17 V N 6.172 125.837 119.914 -0.415 0.000 2.383 17 V HA 0.109 4.229 4.120 -0.000 0.000 0.275 17 V C 0.095 175.926 176.094 -0.440 0.000 1.036 17 V CA -0.027 62.104 62.300 -0.282 0.000 0.889 17 V CB 0.709 32.432 31.823 -0.166 0.000 0.985 17 V HN 0.719 nan 8.190 nan 0.000 0.459 18 F N 1.793 121.757 119.950 0.022 0.000 2.678 18 F HA 0.241 4.768 4.527 -0.000 0.000 0.291 18 F C 0.978 176.667 175.800 -0.186 0.000 1.123 18 F CA 0.009 57.987 58.000 -0.036 0.000 1.395 18 F CB 0.388 39.423 39.000 0.058 0.000 1.121 18 F HN 0.385 nan 8.300 nan 0.000 0.592 19 C N 1.820 121.095 119.300 -0.042 0.000 2.396 19 C HA 0.448 4.908 4.460 -0.000 0.000 0.321 19 C C 0.196 175.001 174.990 -0.309 0.000 1.233 19 C CA -0.868 57.880 59.018 -0.450 0.000 1.440 19 C CB 0.668 28.080 27.740 -0.546 0.000 2.110 19 C HN 0.531 nan 8.230 nan 0.000 0.473 20 N N 1.142 119.631 118.700 -0.352 0.000 2.361 20 N HA 0.070 4.810 4.740 -0.000 0.000 0.253 20 N C -0.505 174.962 175.510 -0.072 0.000 1.413 20 N CA -0.274 52.674 53.050 -0.170 0.000 0.821 20 N CB -0.000 38.387 38.487 -0.167 0.000 1.380 20 N HN 0.806 nan 8.380 nan 0.000 0.493 21 Q N -0.112 119.703 119.800 0.024 0.000 3.105 21 Q HA 0.588 4.928 4.340 -0.000 0.000 0.280 21 Q C -0.514 175.799 176.000 0.522 0.000 1.042 21 Q CA -0.995 54.972 55.803 0.274 0.000 0.857 21 Q CB 1.799 30.738 28.738 0.336 0.000 1.468 21 Q HN 0.126 nan 8.270 nan 0.000 0.494 22 I N 1.250 122.108 120.570 0.480 0.000 2.342 22 I HA 0.193 4.363 4.170 -0.000 0.000 0.291 22 I C -0.850 175.518 176.117 0.417 0.000 1.010 22 I CA -0.249 61.291 61.300 0.399 0.000 1.308 22 I CB 0.507 38.661 38.000 0.256 0.000 1.400 22 I HN 0.361 nan 8.210 nan 0.000 0.488 23 F N 8.351 128.326 119.950 0.041 0.000 2.371 23 F HA 0.602 5.129 4.527 -0.000 0.000 0.363 23 F C -0.454 175.247 175.800 -0.165 0.000 1.122 23 F CA -0.377 57.426 58.000 -0.328 0.000 1.129 23 F CB 0.349 38.999 39.000 -0.582 0.000 1.173 23 F HN 0.196 nan 8.300 nan 0.000 0.489 24 I N 5.727 126.033 120.570 -0.440 0.000 2.571 24 I HA 0.196 4.366 4.170 -0.000 0.000 0.289 24 I C -0.380 175.486 176.117 -0.418 0.000 1.115 24 I CA -0.974 60.106 61.300 -0.366 0.000 1.045 24 I CB 1.812 39.626 38.000 -0.310 0.000 1.238 24 I HN 0.493 nan 8.210 nan 0.000 0.424 25 N N 4.713 123.168 118.700 -0.408 0.000 2.735 25 N HA -0.244 4.496 4.740 -0.000 0.000 0.248 25 N C 0.034 175.282 175.510 -0.436 0.000 1.083 25 N CA 1.333 54.196 53.050 -0.312 0.000 0.703 25 N CB -1.046 37.347 38.487 -0.157 0.000 1.005 25 N HN 0.953 nan 8.380 nan 0.000 0.550 26 N N -1.504 116.682 118.700 -0.857 0.000 2.741 26 N HA -0.232 4.508 4.740 -0.000 0.000 0.251 26 N C -0.946 174.123 175.510 -0.734 0.000 1.112 26 N CA 1.235 53.777 53.050 -0.847 0.000 0.750 26 N CB -0.386 37.957 38.487 -0.239 0.000 1.119 26 N HN 0.604 nan 8.380 nan 0.000 0.561 27 E N -0.885 118.793 120.200 -0.870 0.000 2.343 27 E HA 0.358 4.708 4.350 -0.000 0.000 0.270 27 E C -1.056 175.146 176.600 -0.663 0.000 0.895 27 E CA -0.702 55.351 56.400 -0.578 0.000 0.767 27 E CB 1.162 30.650 29.700 -0.353 0.000 1.248 27 E HN 0.125 nan 8.360 nan 0.000 0.440 28 W N 2.076 123.249 121.300 -0.212 0.000 2.338 28 W HA 0.287 4.946 4.660 -0.000 0.000 0.307 28 W C 0.297 176.626 176.519 -0.317 0.000 1.167 28 W CA -0.282 57.010 57.345 -0.088 0.000 1.208 28 W CB 0.758 30.238 29.460 0.033 0.000 1.228 28 W HN 0.281 nan 8.180 nan 0.000 0.499 29 H N 1.774 121.004 119.070 0.267 0.000 2.747 29 H HA 0.245 4.800 4.556 -0.000 0.000 0.371 29 H C -0.612 174.819 175.328 0.171 0.000 1.161 29 H CA -0.946 55.199 56.048 0.161 0.000 1.167 29 H CB 1.920 31.729 29.762 0.078 0.000 1.732 29 H HN 0.253 nan 8.280 nan 0.000 0.544 30 D N 0.612 121.154 120.400 0.238 0.000 2.354 30 D HA 0.296 4.936 4.640 -0.000 0.000 0.247 30 D C 0.352 176.752 176.300 0.166 0.000 1.138 30 D CA -0.427 53.676 54.000 0.171 0.000 0.958 30 D CB 1.416 42.288 40.800 0.119 0.000 1.144 30 D HN 0.598 nan 8.370 nan 0.000 0.458 31 A N 0.773 123.678 122.820 0.141 0.000 2.483 31 A HA 0.095 4.415 4.320 -0.000 0.000 0.238 31 A C 1.521 179.166 177.584 0.101 0.000 1.070 31 A CA -0.421 51.690 52.037 0.124 0.000 0.770 31 A CB 0.321 19.399 19.000 0.129 0.000 1.008 31 A HN 0.420 nan 8.150 nan 0.000 0.497 32 V N 2.234 122.197 119.914 0.082 0.000 2.469 32 V HA -0.235 3.885 4.120 -0.000 0.000 0.251 32 V C 2.602 178.735 176.094 0.065 0.000 1.064 32 V CA 2.668 65.008 62.300 0.066 0.000 1.066 32 V CB -0.845 31.008 31.823 0.050 0.000 0.667 32 V HN 1.110 nan 8.190 nan 0.000 0.461 33 S N -1.202 114.542 115.700 0.072 0.000 2.562 33 S HA -0.054 4.416 4.470 -0.000 0.000 0.221 33 S C 1.313 175.956 174.600 0.072 0.000 0.975 33 S CA 0.118 58.360 58.200 0.069 0.000 0.918 33 S CB 0.017 63.262 63.200 0.076 0.000 0.772 33 S HN 0.495 nan 8.310 nan 0.000 0.531 34 R N -0.281 120.267 120.500 0.080 0.000 3.922 34 R HA -0.112 4.227 4.340 -0.000 0.000 0.447 34 R C -0.545 175.805 176.300 0.083 0.000 1.035 34 R CA 1.363 57.509 56.100 0.077 0.000 1.289 34 R CB -2.362 27.975 30.300 0.062 0.000 1.906 34 R HN 0.575 nan 8.270 nan 0.000 0.540 35 K N 1.621 122.081 120.400 0.099 0.000 2.355 35 K HA 0.222 4.542 4.320 -0.000 0.000 0.270 35 K C 0.908 177.595 176.600 0.145 0.000 1.003 35 K CA 0.933 57.292 56.287 0.121 0.000 0.957 35 K CB 0.586 33.170 32.500 0.139 0.000 0.939 35 K HN 0.327 nan 8.250 nan 0.000 0.482 36 T N -0.934 113.708 114.554 0.148 0.000 2.901 36 T HA 0.707 5.057 4.350 -0.000 0.000 0.293 36 T C -0.828 174.009 174.700 0.228 0.000 1.084 36 T CA -1.047 61.132 62.100 0.131 0.000 1.008 36 T CB 0.804 69.682 68.868 0.017 0.000 1.170 36 T HN 0.477 nan 8.240 nan 0.000 0.509 37 F N -0.894 119.083 119.950 0.045 0.000 2.588 37 F HA 0.866 5.393 4.527 -0.000 0.000 0.310 37 F C -3.137 172.685 175.800 0.036 0.000 1.082 37 F CA -2.861 55.183 58.000 0.074 0.000 0.929 37 F CB 1.575 40.618 39.000 0.073 0.000 1.254 37 F HN 0.428 nan 8.300 nan 0.000 0.455 38 P HA 0.192 nan 4.420 nan 0.000 0.284 38 P C -0.965 176.371 177.300 0.060 0.000 1.253 38 P CA -0.160 62.947 63.100 0.011 0.000 0.800 38 P CB 1.968 33.711 31.700 0.071 0.000 0.961 39 T N 1.830 116.356 114.554 -0.045 0.000 2.797 39 T HA 0.402 4.752 4.350 -0.000 0.000 0.279 39 T C -0.539 174.168 174.700 0.011 0.000 0.991 39 T CA -0.515 61.592 62.100 0.013 0.000 0.979 39 T CB 0.313 69.156 68.868 -0.043 0.000 0.943 39 T HN 0.075 nan 8.240 nan 0.000 0.444 40 V N 5.788 125.723 119.914 0.036 0.000 2.539 40 V HA 0.413 4.533 4.120 -0.000 0.000 0.292 40 V C 0.624 176.730 176.094 0.019 0.000 1.045 40 V CA -1.055 61.265 62.300 0.033 0.000 0.945 40 V CB 1.553 33.419 31.823 0.072 0.000 0.993 40 V HN 0.949 nan 8.190 nan 0.000 0.464 41 N N 5.555 124.259 118.700 0.007 0.000 2.415 41 N HA 0.214 4.954 4.740 -0.000 0.000 0.246 41 N C -1.482 174.016 175.510 -0.020 0.000 1.078 41 N CA -1.495 51.552 53.050 -0.006 0.000 0.942 41 N CB 1.352 39.838 38.487 -0.001 0.000 1.140 41 N HN 0.422 nan 8.380 nan 0.000 0.501 42 P HA -0.084 nan 4.420 nan 0.000 0.228 42 P C 0.471 177.613 177.300 -0.263 0.000 1.151 42 P CA 0.940 64.034 63.100 -0.011 0.000 0.770 42 P CB 0.349 32.044 31.700 -0.007 0.000 0.786 43 S N -0.747 114.851 115.700 -0.169 0.000 2.470 43 S HA -0.024 4.446 4.470 -0.000 0.000 0.225 43 S C 1.798 176.414 174.600 0.027 0.000 1.006 43 S CA 1.621 59.787 58.200 -0.056 0.000 0.934 43 S CB -0.502 62.764 63.200 0.111 0.000 0.778 43 S HN 0.451 nan 8.310 nan 0.000 0.517 44 T N -3.223 111.281 114.554 -0.083 0.000 2.954 44 T HA 0.453 4.803 4.350 -0.000 0.000 0.252 44 T C 1.462 176.056 174.700 -0.178 0.000 0.983 44 T CA 0.804 62.851 62.100 -0.088 0.000 0.941 44 T CB 0.339 69.183 68.868 -0.041 0.000 1.141 44 T HN 0.477 nan 8.240 nan 0.000 0.500 45 G N 1.550 110.210 108.800 -0.232 0.000 2.159 45 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.256 45 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.256 45 G C -0.280 174.584 174.900 -0.060 0.000 0.977 45 G CA 0.196 45.170 45.100 -0.211 0.000 0.652 45 G HN 0.692 nan 8.290 nan 0.000 0.531 46 E N -0.401 119.771 120.200 -0.048 0.000 2.222 46 E HA 0.532 4.882 4.350 -0.000 0.000 0.272 46 E C 0.231 176.826 176.600 -0.010 0.000 0.982 46 E CA -0.992 55.394 56.400 -0.024 0.000 0.842 46 E CB 2.265 31.947 29.700 -0.031 0.000 1.144 46 E HN 0.062 nan 8.360 nan 0.000 0.397 47 V N 3.331 123.241 119.914 -0.007 0.000 2.572 47 V HA -0.029 4.091 4.120 -0.000 0.000 0.291 47 V C 1.304 177.381 176.094 -0.028 0.000 1.039 47 V CA 0.552 62.846 62.300 -0.010 0.000 1.055 47 V CB 0.340 32.159 31.823 -0.008 0.000 0.969 47 V HN 0.679 nan 8.190 nan 0.000 0.482 48 I N 3.729 124.278 120.570 -0.035 0.000 2.339 48 I HA 0.055 4.225 4.170 -0.000 0.000 0.245 48 I C 0.958 177.032 176.117 -0.071 0.000 1.096 48 I CA 1.233 62.503 61.300 -0.050 0.000 1.408 48 I CB 0.258 38.228 38.000 -0.049 0.000 1.092 48 I HN 0.888 nan 8.210 nan 0.000 0.423 49 C N -2.129 117.120 119.300 -0.085 0.000 3.167 49 C HA 0.395 4.855 4.460 -0.000 0.000 0.348 49 C C -1.281 173.624 174.990 -0.141 0.000 1.394 49 C CA -1.190 57.765 59.018 -0.106 0.000 1.204 49 C CB 1.269 28.936 27.740 -0.121 0.000 1.467 49 C HN 0.137 nan 8.230 nan 0.000 0.446 50 Q N 0.480 120.191 119.800 -0.149 0.000 2.227 50 Q HA 0.786 5.125 4.340 -0.000 0.000 0.245 50 Q C -0.662 175.162 176.000 -0.293 0.000 0.926 50 Q CA -0.262 55.422 55.803 -0.199 0.000 0.895 50 Q CB 1.923 30.593 28.738 -0.113 0.000 1.230 50 Q HN 0.777 nan 8.270 nan 0.000 0.450 51 V N 0.455 120.069 119.914 -0.500 0.000 2.760 51 V HA 0.499 4.619 4.120 -0.000 0.000 0.309 51 V C -0.456 175.426 176.094 -0.353 0.000 1.077 51 V CA -1.300 60.684 62.300 -0.527 0.000 0.910 51 V CB 1.875 33.144 31.823 -0.922 0.000 1.008 51 V HN 0.899 nan 8.190 nan 0.000 0.424 52 A N 2.530 125.307 122.820 -0.072 0.000 2.567 52 A HA 0.176 4.496 4.320 -0.000 0.000 0.240 52 A C 0.410 178.144 177.584 0.249 0.000 1.053 52 A CA 0.332 52.425 52.037 0.095 0.000 0.755 52 A CB -0.068 19.018 19.000 0.143 0.000 0.978 52 A HN 0.894 nan 8.150 nan 0.000 0.507 53 E N 2.884 123.261 120.200 0.296 0.000 1.936 53 E HA 0.342 4.692 4.350 -0.000 0.000 0.267 53 E C 0.643 177.354 176.600 0.184 0.000 1.076 53 E CA -0.268 56.329 56.400 0.329 0.000 0.870 53 E CB 0.186 30.092 29.700 0.342 0.000 1.093 53 E HN 0.812 nan 8.360 nan 0.000 0.411 54 G N 3.334 112.225 108.800 0.153 0.000 2.491 54 G HA2 0.050 4.009 3.960 -0.000 0.000 0.242 54 G HA3 0.050 4.009 3.960 -0.000 0.000 0.242 54 G C -0.260 174.695 174.900 0.092 0.000 1.266 54 G CA -0.193 44.976 45.100 0.115 0.000 0.844 54 G HN 0.562 nan 8.290 nan 0.000 0.571 55 D N -0.368 120.085 120.400 0.088 0.000 2.867 55 D HA 0.187 4.827 4.640 -0.000 0.000 0.308 55 D C 1.294 177.636 176.300 0.071 0.000 1.202 55 D CA -0.790 53.260 54.000 0.082 0.000 1.035 55 D CB 1.548 42.399 40.800 0.084 0.000 1.427 55 D HN 0.281 nan 8.370 nan 0.000 0.570 56 K N 0.377 120.815 120.400 0.064 0.000 2.059 56 K HA -0.202 4.118 4.320 -0.000 0.000 0.212 56 K C 1.545 178.183 176.600 0.063 0.000 1.050 56 K CA 1.810 58.135 56.287 0.062 0.000 0.927 56 K CB 0.034 32.560 32.500 0.044 0.000 0.714 56 K HN 0.319 nan 8.250 nan 0.000 0.447 57 E N 0.128 120.359 120.200 0.051 0.000 2.110 57 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 57 E C 1.693 178.316 176.600 0.037 0.000 0.988 57 E CA 1.295 57.721 56.400 0.043 0.000 0.804 57 E CB -0.003 29.719 29.700 0.036 0.000 0.745 57 E HN 0.447 nan 8.360 nan 0.000 0.458 58 D N 0.377 120.802 120.400 0.042 0.000 2.123 58 D HA -0.102 4.537 4.640 -0.000 0.000 0.200 58 D C 2.129 178.441 176.300 0.019 0.000 0.976 58 D CA 0.735 54.751 54.000 0.026 0.000 0.831 58 D CB -0.053 40.778 40.800 0.052 0.000 0.974 58 D HN 0.044 nan 8.370 nan 0.000 0.469 59 V N 2.000 121.941 119.914 0.045 0.000 2.407 59 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 59 V C 1.884 178.002 176.094 0.040 0.000 1.055 59 V CA 1.640 63.967 62.300 0.045 0.000 1.049 59 V CB -0.390 31.482 31.823 0.083 0.000 0.662 59 V HN 0.024 nan 8.190 nan 0.000 0.455 60 D N 0.112 120.567 120.400 0.091 0.000 2.117 60 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 60 D C 2.255 178.577 176.300 0.037 0.000 0.987 60 D CA 1.226 55.306 54.000 0.134 0.000 0.829 60 D CB -0.180 40.695 40.800 0.125 0.000 0.961 60 D HN 0.430 nan 8.370 nan 0.000 0.460 61 K N 0.571 120.965 120.400 -0.010 0.000 2.057 61 K HA 0.009 4.329 4.320 -0.000 0.000 0.206 61 K C 2.133 178.679 176.600 -0.090 0.000 1.050 61 K CA 1.070 57.320 56.287 -0.062 0.000 0.935 61 K CB -0.049 32.384 32.500 -0.112 0.000 0.715 61 K HN 0.018 nan 8.250 nan 0.000 0.439 62 A N 0.988 123.757 122.820 -0.086 0.000 1.902 62 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 62 A C 2.368 179.891 177.584 -0.103 0.000 1.181 62 A CA 1.403 53.383 52.037 -0.095 0.000 0.623 62 A CB -0.660 18.302 19.000 -0.063 0.000 0.818 62 A HN 0.066 nan 8.150 nan 0.000 0.443 63 V N 0.159 119.993 119.914 -0.133 0.000 2.358 63 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 63 V C 2.426 178.452 176.094 -0.114 0.000 1.047 63 V CA 2.335 64.514 62.300 -0.202 0.000 1.035 63 V CB -0.687 30.833 31.823 -0.505 0.000 0.658 63 V HN 0.545 nan 8.190 nan 0.000 0.452 64 K N 0.321 120.682 120.400 -0.065 0.000 2.097 64 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 64 K C 2.313 178.898 176.600 -0.026 0.000 1.049 64 K CA 1.460 57.733 56.287 -0.023 0.000 0.933 64 K CB -0.418 32.078 32.500 -0.006 0.000 0.717 64 K HN 0.478 nan 8.250 nan 0.000 0.442 65 A N 1.603 124.392 122.820 -0.053 0.000 1.877 65 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 65 A C 2.400 179.963 177.584 -0.034 0.000 1.186 65 A CA 1.862 53.864 52.037 -0.057 0.000 0.620 65 A CB -0.751 18.188 19.000 -0.102 0.000 0.822 65 A HN 0.329 nan 8.150 nan 0.000 0.443 66 A N -0.163 122.631 122.820 -0.044 0.000 1.877 66 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 66 A C 2.191 179.807 177.584 0.053 0.000 1.186 66 A CA 2.241 54.267 52.037 -0.019 0.000 0.620 66 A CB -0.477 18.490 19.000 -0.056 0.000 0.822 66 A HN 0.474 nan 8.150 nan 0.000 0.443 67 R N 0.237 120.759 120.500 0.036 0.000 2.081 67 R HA -0.043 4.297 4.340 -0.000 0.000 0.235 67 R C 2.074 178.460 176.300 0.144 0.000 1.131 67 R CA 2.011 58.171 56.100 0.099 0.000 0.960 67 R CB -0.863 29.470 30.300 0.056 0.000 0.856 67 R HN 0.395 nan 8.270 nan 0.000 0.436 68 A N -0.014 122.857 122.820 0.086 0.000 1.969 68 A HA 0.059 4.379 4.320 -0.000 0.000 0.218 68 A C 2.269 179.915 177.584 0.104 0.000 1.169 68 A CA 1.478 53.562 52.037 0.079 0.000 0.635 68 A CB -0.811 18.213 19.000 0.040 0.000 0.810 68 A HN 0.469 nan 8.150 nan 0.000 0.445 69 A N -2.132 120.757 122.820 0.115 0.000 2.119 69 A HA 0.133 4.453 4.320 -0.000 0.000 0.217 69 A C 1.665 179.411 177.584 0.270 0.000 1.153 69 A CA 1.024 53.147 52.037 0.143 0.000 0.692 69 A CB -0.521 18.520 19.000 0.068 0.000 0.799 69 A HN 0.567 nan 8.150 nan 0.000 0.458 70 F N 0.351 120.380 119.950 0.132 0.000 2.765 70 F HA 0.195 4.722 4.527 -0.000 0.000 0.302 70 F C 0.712 176.585 175.800 0.121 0.000 1.111 70 F CA -0.208 57.894 58.000 0.171 0.000 1.359 70 F CB 0.159 39.244 39.000 0.141 0.000 1.097 70 F HN 0.092 nan 8.300 nan 0.000 0.577 71 Q N 1.623 121.468 119.800 0.075 0.000 2.361 71 Q HA 0.024 4.364 4.340 -0.000 0.000 0.276 71 Q C -0.199 175.743 176.000 -0.096 0.000 1.022 71 Q CA -0.097 55.707 55.803 0.003 0.000 0.898 71 Q CB 0.821 29.583 28.738 0.041 0.000 1.246 71 Q HN 0.253 nan 8.270 nan 0.000 0.410 72 L N 1.436 122.597 121.223 -0.104 0.000 2.540 72 L HA 0.171 4.511 4.340 -0.000 0.000 0.276 72 L C 1.238 178.073 176.870 -0.058 0.000 1.212 72 L CA 2.115 56.889 54.840 -0.109 0.000 0.893 72 L CB 0.143 42.161 42.059 -0.067 0.000 1.138 72 L HN 0.914 nan 8.230 nan 0.000 0.491 73 G N 1.958 110.723 108.800 -0.059 0.000 2.195 73 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.246 73 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.246 73 G C 0.342 175.235 174.900 -0.012 0.000 0.984 73 G CA 0.342 45.424 45.100 -0.029 0.000 0.633 73 G HN 1.115 nan 8.290 nan 0.000 0.525 74 S N 0.534 116.230 115.700 -0.006 0.000 2.600 74 S HA 0.573 5.043 4.470 -0.000 0.000 0.265 74 S C -0.658 173.979 174.600 0.062 0.000 1.325 74 S CA -0.248 57.976 58.200 0.040 0.000 1.002 74 S CB 1.921 65.166 63.200 0.074 0.000 0.921 74 S HN 0.003 nan 8.310 nan 0.000 0.554 75 P HA -0.084 nan 4.420 nan 0.000 0.216 75 P C 1.233 178.651 177.300 0.197 0.000 1.150 75 P CA 1.098 64.268 63.100 0.116 0.000 0.837 75 P CB -0.081 31.694 31.700 0.126 0.000 0.786 76 W N 0.157 121.475 121.300 0.031 0.000 2.388 76 W HA -0.126 4.534 4.660 -0.000 0.000 0.294 76 W C 1.692 178.227 176.519 0.026 0.000 1.212 76 W CA 0.630 58.012 57.345 0.062 0.000 1.271 76 W CB -0.069 29.456 29.460 0.108 0.000 1.126 76 W HN -0.160 nan 8.180 nan 0.000 0.535 77 R N 0.405 120.893 120.500 -0.020 0.000 2.090 77 R HA -0.050 4.290 4.340 -0.000 0.000 0.228 77 R C 2.070 178.276 176.300 -0.157 0.000 1.110 77 R CA 1.069 57.056 56.100 -0.188 0.000 0.973 77 R CB -0.734 29.440 30.300 -0.210 0.000 0.869 77 R HN 0.307 nan 8.270 nan 0.000 0.440 78 R N -0.167 120.280 120.500 -0.088 0.000 2.240 78 R HA 0.155 4.494 4.340 -0.000 0.000 0.203 78 R C 1.141 177.391 176.300 -0.083 0.000 1.011 78 R CA -0.167 55.888 56.100 -0.073 0.000 1.007 78 R CB -0.049 30.225 30.300 -0.043 0.000 0.911 78 R HN 0.121 nan 8.270 nan 0.000 0.468 79 M N 2.259 121.802 119.600 -0.095 0.000 2.251 79 M HA -0.053 4.426 4.480 -0.000 0.000 0.343 79 M C -0.694 175.544 176.300 -0.103 0.000 1.245 79 M CA 0.430 55.675 55.300 -0.093 0.000 1.061 79 M CB 0.530 33.093 32.600 -0.061 0.000 1.723 79 M HN -0.058 nan 8.290 nan 0.000 0.449 80 D N 3.962 124.330 120.400 -0.054 0.000 2.443 80 D HA 0.078 4.718 4.640 -0.000 0.000 0.239 80 D C 0.817 177.108 176.300 -0.015 0.000 1.136 80 D CA 0.513 54.499 54.000 -0.024 0.000 0.879 80 D CB 1.093 41.896 40.800 0.006 0.000 1.195 80 D HN 0.775 nan 8.370 nan 0.000 0.443 81 A N 2.391 125.197 122.820 -0.023 0.000 1.940 81 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 81 A C 2.137 179.731 177.584 0.016 0.000 1.176 81 A CA 2.205 54.231 52.037 -0.017 0.000 0.631 81 A CB -0.617 18.391 19.000 0.014 0.000 0.814 81 A HN 0.607 nan 8.150 nan 0.000 0.446 82 S N -1.073 114.647 115.700 0.033 0.000 2.400 82 S HA -0.273 4.197 4.470 -0.000 0.000 0.232 82 S C 1.857 176.483 174.600 0.042 0.000 1.025 82 S CA 1.697 59.919 58.200 0.036 0.000 0.993 82 S CB -0.735 62.488 63.200 0.038 0.000 0.808 82 S HN 0.734 nan 8.310 nan 0.000 0.478 83 H N 1.733 120.787 119.070 -0.028 0.000 2.395 83 H HA 0.198 4.754 4.556 -0.000 0.000 0.299 83 H C 2.336 177.650 175.328 -0.024 0.000 1.070 83 H CA 1.550 57.580 56.048 -0.030 0.000 1.356 83 H CB -0.070 29.670 29.762 -0.037 0.000 1.401 83 H HN 0.362 nan 8.280 nan 0.000 0.524 84 R N -0.705 119.798 120.500 0.005 0.000 2.127 84 R HA -0.087 4.253 4.340 -0.000 0.000 0.238 84 R C 2.492 178.822 176.300 0.051 0.000 1.134 84 R CA 1.023 57.143 56.100 0.034 0.000 0.975 84 R CB -0.459 29.830 30.300 -0.019 0.000 0.865 84 R HN 0.409 nan 8.270 nan 0.000 0.447 85 G N 1.238 110.049 108.800 0.018 0.000 2.402 85 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 85 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 85 G C 1.430 176.313 174.900 -0.028 0.000 1.162 85 G CA 0.157 45.273 45.100 0.028 0.000 0.777 85 G HN 0.116 nan 8.290 nan 0.000 0.539 86 R N 0.275 120.697 120.500 -0.131 0.000 2.091 86 R HA 0.024 4.364 4.340 -0.000 0.000 0.238 86 R C 2.635 178.810 176.300 -0.209 0.000 1.136 86 R CA 0.726 56.708 56.100 -0.198 0.000 0.959 86 R CB -1.116 28.959 30.300 -0.374 0.000 0.856 86 R HN 0.407 nan 8.270 nan 0.000 0.437 87 L N 0.408 121.448 121.223 -0.305 0.000 2.093 87 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 87 L C 2.518 179.372 176.870 -0.027 0.000 1.085 87 L CA 0.987 55.601 54.840 -0.378 0.000 0.755 87 L CB -0.467 41.077 42.059 -0.860 0.000 0.904 87 L HN 0.115 nan 8.230 nan 0.000 0.435 88 L N -0.419 120.906 121.223 0.171 0.000 2.056 88 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 88 L C 2.390 179.365 176.870 0.176 0.000 1.078 88 L CA 0.988 56.008 54.840 0.300 0.000 0.749 88 L CB -0.557 41.667 42.059 0.276 0.000 0.901 88 L HN 0.344 nan 8.230 nan 0.000 0.433 89 N N 0.004 118.760 118.700 0.093 0.000 2.166 89 N HA -0.199 4.541 4.740 -0.000 0.000 0.186 89 N C 1.948 177.493 175.510 0.058 0.000 1.019 89 N CA 1.001 54.089 53.050 0.063 0.000 0.856 89 N CB -0.185 38.316 38.487 0.024 0.000 0.993 89 N HN 0.169 nan 8.380 nan 0.000 0.426 90 R N 1.213 121.735 120.500 0.038 0.000 2.075 90 R HA -0.004 4.336 4.340 -0.000 0.000 0.232 90 R C 2.045 178.398 176.300 0.088 0.000 1.126 90 R CA 0.819 56.941 56.100 0.037 0.000 0.963 90 R CB -1.010 29.284 30.300 -0.011 0.000 0.858 90 R HN 0.171 nan 8.270 nan 0.000 0.435 91 L N 0.407 121.723 121.223 0.154 0.000 2.042 91 L HA -0.004 4.335 4.340 -0.000 0.000 0.210 91 L C 2.109 179.053 176.870 0.123 0.000 1.076 91 L CA 2.280 57.227 54.840 0.179 0.000 0.749 91 L CB -1.027 41.194 42.059 0.269 0.000 0.893 91 L HN 0.285 nan 8.230 nan 0.000 0.432 92 A N -0.904 121.987 122.820 0.118 0.000 1.902 92 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 92 A C 2.001 179.633 177.584 0.080 0.000 1.181 92 A CA 1.845 53.941 52.037 0.098 0.000 0.623 92 A CB -0.805 18.253 19.000 0.098 0.000 0.818 92 A HN 0.538 nan 8.150 nan 0.000 0.443 93 D N 0.108 120.551 120.400 0.073 0.000 2.117 93 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 93 D C 1.959 178.301 176.300 0.070 0.000 0.987 93 D CA 1.018 55.056 54.000 0.062 0.000 0.829 93 D CB -0.324 40.506 40.800 0.050 0.000 0.961 93 D HN 0.465 nan 8.370 nan 0.000 0.460 94 L N 0.400 121.669 121.223 0.076 0.000 2.056 94 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 94 L C 2.520 179.456 176.870 0.110 0.000 1.078 94 L CA 0.658 55.547 54.840 0.082 0.000 0.749 94 L CB -0.272 41.830 42.059 0.071 0.000 0.901 94 L HN 0.013 nan 8.230 nan 0.000 0.433 95 I N -0.169 120.467 120.570 0.109 0.000 2.315 95 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 95 I C 2.581 178.764 176.117 0.110 0.000 1.117 95 I CA 1.266 62.643 61.300 0.129 0.000 1.404 95 I CB -0.180 37.883 38.000 0.105 0.000 1.071 95 I HN 0.337 nan 8.210 nan 0.000 0.419 96 E N 1.305 121.554 120.200 0.081 0.000 2.106 96 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 96 E C 2.385 179.037 176.600 0.087 0.000 0.984 96 E CA 0.846 57.283 56.400 0.060 0.000 0.806 96 E CB -0.010 29.718 29.700 0.047 0.000 0.750 96 E HN 0.259 nan 8.360 nan 0.000 0.458 97 R N 0.333 120.890 120.500 0.095 0.000 2.091 97 R HA -0.141 4.199 4.340 -0.000 0.000 0.238 97 R C 0.385 176.765 176.300 0.132 0.000 1.136 97 R CA 1.852 58.013 56.100 0.101 0.000 0.959 97 R CB 0.010 30.362 30.300 0.086 0.000 0.856 97 R HN 0.136 nan 8.270 nan 0.000 0.437 98 D N -0.219 120.282 120.400 0.168 0.000 2.427 98 D HA 0.025 4.664 4.640 -0.000 0.000 0.224 98 D C 1.084 177.533 176.300 0.247 0.000 1.157 98 D CA -0.061 54.075 54.000 0.226 0.000 0.828 98 D CB 0.188 41.178 40.800 0.317 0.000 0.974 98 D HN 0.248 nan 8.370 nan 0.000 0.498 99 R N 0.547 121.158 120.500 0.186 0.000 2.094 99 R HA -0.158 4.182 4.340 -0.000 0.000 0.239 99 R C 1.432 177.895 176.300 0.273 0.000 1.137 99 R CA 1.823 58.004 56.100 0.135 0.000 0.943 99 R CB -0.148 30.154 30.300 0.003 0.000 0.850 99 R HN 0.014 nan 8.270 nan 0.000 0.433 100 T N 0.089 114.892 114.554 0.415 0.000 2.684 100 T HA -0.230 4.120 4.350 -0.000 0.000 0.267 100 T C 1.425 176.371 174.700 0.411 0.000 1.036 100 T CA 1.713 64.114 62.100 0.503 0.000 1.148 100 T CB -0.588 68.501 68.868 0.370 0.000 0.863 100 T HN 0.428 nan 8.240 nan 0.000 0.436 101 Y N 1.759 122.170 120.300 0.184 0.000 2.114 101 Y HA -0.067 4.483 4.550 -0.000 0.000 0.284 101 Y C 2.093 178.047 175.900 0.091 0.000 1.143 101 Y CA 1.075 59.232 58.100 0.095 0.000 1.135 101 Y CB -0.674 37.781 38.460 -0.009 0.000 0.980 101 Y HN 0.093 nan 8.280 nan 0.000 0.499 102 L N -0.045 121.177 121.223 -0.002 0.000 2.042 102 L HA -0.265 4.074 4.340 -0.000 0.000 0.210 102 L C 2.791 179.642 176.870 -0.032 0.000 1.076 102 L CA 1.310 56.091 54.840 -0.099 0.000 0.749 102 L CB -0.949 41.167 42.059 0.095 0.000 0.893 102 L HN 0.414 nan 8.230 nan 0.000 0.432 103 A N -0.256 122.631 122.820 0.113 0.000 1.902 103 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 103 A C 2.499 180.246 177.584 0.272 0.000 1.181 103 A CA 1.804 53.937 52.037 0.159 0.000 0.623 103 A CB -0.701 18.418 19.000 0.199 0.000 0.818 103 A HN 0.431 nan 8.150 nan 0.000 0.443 104 A N -0.580 122.460 122.820 0.367 0.000 1.873 104 A HA -0.012 4.308 4.320 -0.000 0.000 0.215 104 A C 2.121 179.801 177.584 0.160 0.000 1.186 104 A CA 1.686 53.949 52.037 0.376 0.000 0.616 104 A CB -0.661 18.460 19.000 0.202 0.000 0.823 104 A HN 0.677 nan 8.150 nan 0.000 0.442 105 L N -0.072 121.076 121.223 -0.124 0.000 2.083 105 L HA -0.141 4.198 4.340 -0.000 0.000 0.209 105 L C 2.217 179.042 176.870 -0.075 0.000 1.083 105 L CA 2.682 57.407 54.840 -0.193 0.000 0.752 105 L CB -0.603 41.168 42.059 -0.480 0.000 0.899 105 L HN 0.525 nan 8.230 nan 0.000 0.433 106 E N -1.087 119.082 120.200 -0.052 0.000 2.051 106 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 106 E C 2.043 178.611 176.600 -0.053 0.000 0.991 106 E CA 2.014 58.392 56.400 -0.036 0.000 0.799 106 E CB -0.348 29.337 29.700 -0.024 0.000 0.748 106 E HN 0.471 nan 8.360 nan 0.000 0.449 107 T N 0.761 115.278 114.554 -0.061 0.000 2.788 107 T HA -0.132 4.218 4.350 -0.000 0.000 0.268 107 T C 1.696 176.299 174.700 -0.161 0.000 1.044 107 T CA 1.121 63.108 62.100 -0.189 0.000 1.139 107 T CB -0.327 68.291 68.868 -0.416 0.000 0.867 107 T HN 0.106 nan 8.240 nan 0.000 0.454 108 L N 1.280 122.503 121.223 -0.000 0.000 2.017 108 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 108 L C 2.044 178.919 176.870 0.009 0.000 1.073 108 L CA 1.900 56.794 54.840 0.091 0.000 0.745 108 L CB -0.437 41.704 42.059 0.137 0.000 0.894 108 L HN 0.077 nan 8.230 nan 0.000 0.432 109 D N -1.645 118.746 120.400 -0.015 0.000 2.213 109 D HA -0.141 4.499 4.640 -0.000 0.000 0.205 109 D C 1.912 178.192 176.300 -0.033 0.000 0.961 109 D CA 0.731 54.720 54.000 -0.019 0.000 0.853 109 D CB 0.025 40.819 40.800 -0.010 0.000 0.967 109 D HN 0.412 nan 8.370 nan 0.000 0.496 110 N N -0.719 117.948 118.700 -0.054 0.000 2.436 110 N HA -0.020 4.720 4.740 -0.000 0.000 0.178 110 N C 1.360 176.798 175.510 -0.120 0.000 1.026 110 N CA 1.651 54.660 53.050 -0.069 0.000 0.880 110 N CB 0.804 39.249 38.487 -0.070 0.000 1.061 110 N HN 0.254 nan 8.380 nan 0.000 0.434 111 G N 1.355 110.066 108.800 -0.147 0.000 2.231 111 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.206 111 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.206 111 G C -0.087 174.692 174.900 -0.201 0.000 0.996 111 G CA 0.326 45.315 45.100 -0.185 0.000 0.645 111 G HN 0.672 nan 8.290 nan 0.000 0.498 112 K N 1.038 121.316 120.400 -0.204 0.000 2.319 112 K HA 0.473 4.793 4.320 -0.000 0.000 0.265 112 K C -2.684 173.809 176.600 -0.178 0.000 1.000 112 K CA -1.295 54.867 56.287 -0.208 0.000 0.943 112 K CB 0.555 32.905 32.500 -0.250 0.000 0.950 112 K HN 0.056 nan 8.250 nan 0.000 0.485 113 P HA -0.121 nan 4.420 nan 0.000 0.262 113 P C -0.306 176.959 177.300 -0.058 0.000 1.182 113 P CA 0.032 63.086 63.100 -0.078 0.000 0.761 113 P CB 0.117 31.809 31.700 -0.013 0.000 0.795 114 Y N 4.778 124.961 120.300 -0.196 0.000 2.207 114 Y HA -0.258 4.292 4.550 -0.000 0.000 0.287 114 Y C 1.806 177.729 175.900 0.038 0.000 1.156 114 Y CA 1.753 59.788 58.100 -0.108 0.000 1.182 114 Y CB -0.814 37.603 38.460 -0.071 0.000 0.979 114 Y HN 0.083 nan 8.280 nan 0.000 0.521 115 V N 0.371 120.262 119.914 -0.040 0.000 2.392 115 V HA -0.327 3.793 4.120 -0.000 0.000 0.249 115 V C 2.318 178.393 176.094 -0.031 0.000 1.059 115 V CA 1.751 64.008 62.300 -0.073 0.000 1.051 115 V CB -0.633 31.221 31.823 0.051 0.000 0.658 115 V HN 0.443 nan 8.190 nan 0.000 0.455 116 I N -0.356 120.220 120.570 0.010 0.000 2.286 116 I HA -0.108 4.062 4.170 -0.000 0.000 0.245 116 I C 2.566 178.707 176.117 0.040 0.000 1.104 116 I CA 1.293 62.641 61.300 0.080 0.000 1.397 116 I CB -1.366 36.699 38.000 0.108 0.000 1.072 116 I HN 0.256 nan 8.210 nan 0.000 0.417 117 S N 0.152 115.828 115.700 -0.041 0.000 2.370 117 S HA -0.229 4.240 4.470 -0.000 0.000 0.226 117 S C 2.032 176.599 174.600 -0.055 0.000 1.033 117 S CA 1.400 59.572 58.200 -0.046 0.000 1.011 117 S CB -0.414 62.751 63.200 -0.057 0.000 0.852 117 S HN 0.454 nan 8.310 nan 0.000 0.457 118 Y N 1.507 121.636 120.300 -0.285 0.000 2.176 118 Y HA 0.087 4.637 4.550 -0.000 0.000 0.291 118 Y C 1.886 177.724 175.900 -0.103 0.000 1.122 118 Y CA 1.293 59.243 58.100 -0.250 0.000 1.128 118 Y CB -0.169 38.008 38.460 -0.473 0.000 1.005 118 Y HN 0.112 nan 8.280 nan 0.000 0.509 119 L N -1.384 119.908 121.223 0.115 0.000 2.240 119 L HA -0.079 4.261 4.340 -0.000 0.000 0.211 119 L C 1.669 178.568 176.870 0.049 0.000 1.106 119 L CA 0.388 55.283 54.840 0.092 0.000 0.793 119 L CB -0.206 41.936 42.059 0.139 0.000 0.927 119 L HN 0.153 nan 8.230 nan 0.000 0.446 120 V N -1.016 118.942 119.914 0.072 0.000 2.784 120 V HA -0.049 4.071 4.120 -0.000 0.000 0.231 120 V C 1.651 177.789 176.094 0.073 0.000 1.128 120 V CA 0.905 63.270 62.300 0.108 0.000 1.178 120 V CB -0.250 31.713 31.823 0.233 0.000 0.943 120 V HN 0.174 nan 8.190 nan 0.000 0.500 121 D N 0.814 121.266 120.400 0.086 0.000 2.106 121 D HA -0.186 4.454 4.640 -0.000 0.000 0.191 121 D C 2.067 178.362 176.300 -0.009 0.000 0.997 121 D CA 1.364 55.394 54.000 0.050 0.000 0.834 121 D CB -0.196 40.642 40.800 0.063 0.000 0.956 121 D HN 0.099 nan 8.370 nan 0.000 0.448 122 L N 0.514 121.708 121.223 -0.050 0.000 2.093 122 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 122 L C 1.937 178.763 176.870 -0.075 0.000 1.085 122 L CA 1.553 56.344 54.840 -0.083 0.000 0.755 122 L CB -0.968 40.985 42.059 -0.177 0.000 0.904 122 L HN 0.096 nan 8.230 nan 0.000 0.435 123 D N -0.400 119.952 120.400 -0.080 0.000 2.117 123 D HA -0.211 4.429 4.640 -0.000 0.000 0.197 123 D C 2.323 178.631 176.300 0.013 0.000 0.987 123 D CA 1.231 55.206 54.000 -0.042 0.000 0.829 123 D CB 0.140 40.923 40.800 -0.028 0.000 0.961 123 D HN 0.188 nan 8.370 nan 0.000 0.460 124 M N -0.516 119.100 119.600 0.027 0.000 2.254 124 M HA -0.076 4.404 4.480 -0.000 0.000 0.265 124 M C 2.134 178.490 176.300 0.094 0.000 1.066 124 M CA 0.492 55.832 55.300 0.067 0.000 1.123 124 M CB 0.083 32.716 32.600 0.055 0.000 1.388 124 M HN -0.006 nan 8.290 nan 0.000 0.425 125 V N 1.094 121.038 119.914 0.050 0.000 2.295 125 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 125 V C 2.333 178.487 176.094 0.101 0.000 1.049 125 V CA 1.640 63.982 62.300 0.070 0.000 1.024 125 V CB -0.575 31.267 31.823 0.032 0.000 0.648 125 V HN 0.444 nan 8.190 nan 0.000 0.447 126 L N -0.553 120.711 121.223 0.069 0.000 2.017 126 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 126 L C 2.596 179.527 176.870 0.101 0.000 1.073 126 L CA 1.819 56.703 54.840 0.074 0.000 0.745 126 L CB -0.638 41.444 42.059 0.038 0.000 0.894 126 L HN 0.279 nan 8.230 nan 0.000 0.432 127 K N -0.878 119.580 120.400 0.097 0.000 2.097 127 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 127 K C 2.296 178.992 176.600 0.161 0.000 1.049 127 K CA 1.526 57.878 56.287 0.108 0.000 0.933 127 K CB -0.421 32.126 32.500 0.079 0.000 0.717 127 K HN 0.408 nan 8.250 nan 0.000 0.442 128 C N 1.186 120.609 119.300 0.205 0.000 2.462 128 C HA -0.052 4.408 4.460 -0.000 0.000 0.278 128 C C 2.425 177.639 174.990 0.374 0.000 1.253 128 C CA 0.582 59.785 59.018 0.309 0.000 1.713 128 C CB -0.914 27.078 27.740 0.420 0.000 2.049 128 C HN 0.401 nan 8.230 nan 0.000 0.477 129 L N 0.300 121.697 121.223 0.291 0.000 2.083 129 L HA -0.120 4.219 4.340 -0.000 0.000 0.209 129 L C 3.013 180.026 176.870 0.238 0.000 1.083 129 L CA 1.726 56.729 54.840 0.272 0.000 0.752 129 L CB -0.688 41.487 42.059 0.193 0.000 0.899 129 L HN 0.366 nan 8.230 nan 0.000 0.433 130 R N -1.452 119.158 120.500 0.184 0.000 2.115 130 R HA -0.176 4.164 4.340 -0.000 0.000 0.226 130 R C 2.232 178.598 176.300 0.111 0.000 1.100 130 R CA 1.209 57.386 56.100 0.128 0.000 0.980 130 R CB -0.339 30.019 30.300 0.096 0.000 0.875 130 R HN 0.271 nan 8.270 nan 0.000 0.445 131 Y N 0.157 120.458 120.300 0.001 0.000 2.133 131 Y HA -0.258 4.292 4.550 -0.000 0.000 0.287 131 Y C 1.646 177.475 175.900 -0.120 0.000 1.134 131 Y CA 1.474 59.505 58.100 -0.115 0.000 1.133 131 Y CB -0.475 37.871 38.460 -0.191 0.000 0.987 131 Y HN -0.016 nan 8.280 nan 0.000 0.502 132 Y N -0.187 120.243 120.300 0.216 0.000 2.333 132 Y HA -0.179 4.371 4.550 -0.000 0.000 0.290 132 Y C 2.596 178.552 175.900 0.093 0.000 1.144 132 Y CA 0.891 59.092 58.100 0.169 0.000 1.228 132 Y CB -0.558 38.032 38.460 0.217 0.000 0.985 132 Y HN 0.288 nan 8.280 nan 0.000 0.542 133 A N 0.051 122.973 122.820 0.171 0.000 1.933 133 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 133 A C 2.522 180.114 177.584 0.014 0.000 1.175 133 A CA 1.712 53.816 52.037 0.111 0.000 0.628 133 A CB -1.391 17.660 19.000 0.083 0.000 0.814 133 A HN 0.469 nan 8.150 nan 0.000 0.444 134 G N -2.110 106.620 108.800 -0.116 0.000 2.422 134 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 134 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 134 G C 1.363 176.087 174.900 -0.293 0.000 1.140 134 G CA 0.725 45.671 45.100 -0.257 0.000 0.775 134 G HN 0.683 nan 8.290 nan 0.000 0.545 135 W N 0.787 121.967 121.300 -0.200 0.000 2.519 135 W HA 0.248 4.908 4.660 -0.000 0.000 0.266 135 W C 2.801 179.298 176.519 -0.037 0.000 1.253 135 W CA 0.257 57.516 57.345 -0.143 0.000 1.274 135 W CB 0.263 29.641 29.460 -0.136 0.000 1.114 135 W HN 0.265 nan 8.180 nan 0.000 0.596 136 A N 1.159 124.112 122.820 0.222 0.000 1.940 136 A HA -0.296 4.024 4.320 -0.000 0.000 0.221 136 A C 1.304 178.967 177.584 0.131 0.000 1.190 136 A CA 2.440 54.575 52.037 0.163 0.000 0.647 136 A CB -0.835 18.231 19.000 0.110 0.000 0.821 136 A HN 0.375 nan 8.150 nan 0.000 0.457 137 D N -2.459 117.998 120.400 0.095 0.000 2.593 137 D HA 0.225 4.865 4.640 -0.000 0.000 0.241 137 D C 0.530 176.860 176.300 0.049 0.000 1.257 137 D CA -0.047 53.996 54.000 0.071 0.000 0.828 137 D CB 0.066 40.894 40.800 0.047 0.000 1.049 137 D HN 0.476 nan 8.370 nan 0.000 0.490 138 K N -0.719 119.723 120.400 0.070 0.000 2.477 138 K HA 0.055 4.375 4.320 -0.000 0.000 0.208 138 K C -0.405 176.103 176.600 -0.154 0.000 1.117 138 K CA -0.459 55.771 56.287 -0.095 0.000 1.039 138 K CB 0.832 33.294 32.500 -0.065 0.000 0.937 138 K HN -0.032 nan 8.250 nan 0.000 0.570 139 Y N 3.118 123.391 120.300 -0.045 0.000 2.632 139 Y HA 0.125 4.675 4.550 -0.000 0.000 0.336 139 Y C -0.436 175.416 175.900 -0.080 0.000 1.237 139 Y CA -1.186 56.889 58.100 -0.041 0.000 1.595 139 Y CB -1.000 37.472 38.460 0.020 0.000 1.508 139 Y HN 0.074 nan 8.280 nan 0.000 0.480 140 H N 1.127 120.160 119.070 -0.061 0.000 2.690 140 H HA 0.406 4.962 4.556 -0.000 0.000 0.365 140 H C 0.924 175.853 175.328 -0.666 0.000 1.142 140 H CA 0.176 56.080 56.048 -0.240 0.000 1.417 140 H CB 0.832 30.523 29.762 -0.118 0.000 1.446 140 H HN 0.716 nan 8.280 nan 0.000 0.599 141 G N 0.721 109.204 108.800 -0.529 0.000 2.510 141 G HA2 0.449 4.408 3.960 -0.000 0.000 0.280 141 G HA3 0.449 4.408 3.960 -0.000 0.000 0.280 141 G C -0.743 173.991 174.900 -0.276 0.000 1.386 141 G CA -0.841 43.792 45.100 -0.778 0.000 1.047 141 G HN 0.541 nan 8.290 nan 0.000 0.527 142 K N -0.777 119.548 120.400 -0.125 0.000 2.435 142 K HA 0.542 4.861 4.320 -0.000 0.000 0.251 142 K C -0.944 175.689 176.600 0.056 0.000 0.954 142 K CA -0.690 55.583 56.287 -0.023 0.000 0.820 142 K CB 2.196 34.696 32.500 0.000 0.000 1.292 142 K HN 0.603 nan 8.250 nan 0.000 0.436 143 T N -0.785 113.817 114.554 0.080 0.000 2.770 143 T HA 0.584 4.934 4.350 -0.000 0.000 0.283 143 T C -0.034 174.743 174.700 0.129 0.000 0.988 143 T CA -0.743 61.459 62.100 0.169 0.000 0.957 143 T CB 0.068 69.084 68.868 0.246 0.000 0.930 143 T HN 0.375 nan 8.240 nan 0.000 0.443 144 I N 5.140 125.783 120.570 0.122 0.000 2.378 144 I HA 0.349 4.519 4.170 -0.000 0.000 0.291 144 I C -1.862 174.321 176.117 0.111 0.000 0.992 144 I CA -2.798 58.553 61.300 0.085 0.000 1.154 144 I CB 2.376 40.398 38.000 0.038 0.000 1.315 144 I HN 0.483 nan 8.210 nan 0.000 0.448 145 P HA 0.166 nan 4.420 nan 0.000 0.226 145 P C 0.011 177.361 177.300 0.083 0.000 1.783 145 P CA 0.047 63.203 63.100 0.094 0.000 0.980 145 P CB 0.130 31.871 31.700 0.068 0.000 1.967 146 I N 0.967 121.592 120.570 0.093 0.000 2.836 146 I HA 0.034 4.204 4.170 -0.000 0.000 0.285 146 I C 0.221 176.406 176.117 0.114 0.000 1.174 146 I CA -0.050 61.295 61.300 0.075 0.000 1.405 146 I CB 0.642 38.671 38.000 0.048 0.000 1.385 146 I HN 0.026 nan 8.210 nan 0.000 0.594 147 D N 4.896 125.352 120.400 0.093 0.000 2.400 147 D HA 0.415 5.055 4.640 -0.000 0.000 0.238 147 D C 0.383 176.823 176.300 0.234 0.000 1.157 147 D CA 1.185 55.255 54.000 0.118 0.000 0.889 147 D CB 0.783 41.631 40.800 0.081 0.000 1.199 147 D HN 0.951 nan 8.370 nan 0.000 0.436 148 G N 1.452 110.379 108.800 0.212 0.000 2.757 148 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.638 148 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.638 148 G C -0.852 174.106 174.900 0.096 0.000 1.344 148 G CA -0.761 44.492 45.100 0.255 0.000 0.855 148 G HN 0.496 nan 8.290 nan 0.000 0.537 149 D N 0.979 121.197 120.400 -0.304 0.000 2.558 149 D HA 0.510 5.150 4.640 -0.000 0.000 0.221 149 D C -0.138 175.649 176.300 -0.855 0.000 1.143 149 D CA 0.961 54.691 54.000 -0.450 0.000 1.010 149 D CB -0.452 40.114 40.800 -0.388 0.000 1.068 149 D HN 0.288 nan 8.370 nan 0.000 0.511 150 F N 0.515 120.510 119.950 0.075 0.000 2.645 150 F HA 0.390 4.917 4.527 -0.000 0.000 0.310 150 F C -0.529 175.386 175.800 0.192 0.000 1.102 150 F CA -1.426 56.637 58.000 0.104 0.000 0.952 150 F CB 1.606 40.640 39.000 0.057 0.000 1.326 150 F HN -0.132 nan 8.300 nan 0.000 0.456 151 F N 1.980 122.069 119.950 0.232 0.000 2.449 151 F HA 0.717 5.244 4.527 -0.000 0.000 0.342 151 F C -0.705 175.217 175.800 0.204 0.000 1.127 151 F CA -1.235 56.874 58.000 0.182 0.000 0.975 151 F CB 1.332 40.428 39.000 0.159 0.000 1.146 151 F HN 0.282 nan 8.300 nan 0.000 0.444 152 S N 6.728 122.409 115.700 -0.033 0.000 2.532 152 S HA 0.805 5.275 4.470 -0.000 0.000 0.299 152 S C -1.518 172.941 174.600 -0.235 0.000 1.105 152 S CA -0.308 57.747 58.200 -0.241 0.000 1.018 152 S CB 0.718 63.865 63.200 -0.088 0.000 1.021 152 S HN 0.710 nan 8.310 nan 0.000 0.483 153 Y N 0.086 120.134 120.300 -0.420 0.000 2.655 153 Y HA 0.801 5.351 4.550 -0.000 0.000 0.336 153 Y C -0.547 175.251 175.900 -0.171 0.000 1.154 153 Y CA -1.055 56.878 58.100 -0.277 0.000 1.055 153 Y CB 0.919 39.172 38.460 -0.344 0.000 1.295 153 Y HN 0.535 nan 8.280 nan 0.000 0.465 154 T N -0.366 114.232 114.554 0.073 0.000 2.863 154 T HA 0.698 5.047 4.350 -0.000 0.000 0.285 154 T C -0.901 173.871 174.700 0.119 0.000 1.009 154 T CA -1.058 61.061 62.100 0.031 0.000 0.989 154 T CB 1.820 70.724 68.868 0.060 0.000 1.004 154 T HN 0.809 nan 8.240 nan 0.000 0.455 155 R N 1.197 121.772 120.500 0.124 0.000 2.393 155 R HA 0.332 4.672 4.340 -0.000 0.000 0.310 155 R C -0.425 176.014 176.300 0.232 0.000 0.968 155 R CA -0.696 55.491 56.100 0.145 0.000 0.867 155 R CB 1.074 31.456 30.300 0.138 0.000 1.124 155 R HN 0.737 nan 8.270 nan 0.000 0.450 156 H N 2.495 121.585 119.070 0.034 0.000 2.820 156 H HA 0.122 4.678 4.556 -0.000 0.000 0.278 156 H C -0.299 175.084 175.328 0.092 0.000 1.142 156 H CA -0.356 55.716 56.048 0.041 0.000 1.346 156 H CB 0.918 30.666 29.762 -0.024 0.000 1.438 156 H HN 0.399 nan 8.280 nan 0.000 0.473 157 E N 4.201 124.520 120.200 0.198 0.000 2.232 157 E HA 0.250 4.600 4.350 -0.000 0.000 0.265 157 E C -2.461 174.259 176.600 0.200 0.000 1.001 157 E CA -2.303 54.203 56.400 0.177 0.000 0.870 157 E CB 1.072 30.863 29.700 0.150 0.000 1.175 157 E HN 0.381 nan 8.360 nan 0.000 0.407 158 P HA -0.055 nan 4.420 nan 0.000 0.274 158 P C 0.477 177.909 177.300 0.219 0.000 1.231 158 P CA -0.133 63.140 63.100 0.288 0.000 0.790 158 P CB 0.753 32.746 31.700 0.488 0.000 0.951 159 V N 1.510 121.489 119.914 0.107 0.000 2.548 159 V HA 0.130 4.250 4.120 -0.000 0.000 0.249 159 V C 1.012 177.013 176.094 -0.155 0.000 1.055 159 V CA 2.586 64.889 62.300 0.005 0.000 1.065 159 V CB -1.087 30.723 31.823 -0.021 0.000 0.681 159 V HN 0.940 nan 8.190 nan 0.000 0.462 160 G N -0.712 107.855 108.800 -0.388 0.000 2.390 160 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.202 160 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.202 160 G C -0.445 174.080 174.900 -0.626 0.000 1.210 160 G CA -0.211 44.249 45.100 -1.067 0.000 1.271 160 G HN 0.642 nan 8.290 nan 0.000 0.543 161 V N 1.294 120.955 119.914 -0.422 0.000 2.405 161 V HA 0.407 4.527 4.120 -0.000 0.000 0.264 161 V C 0.391 176.417 176.094 -0.113 0.000 1.048 161 V CA -0.140 62.033 62.300 -0.211 0.000 0.966 161 V CB 0.225 31.949 31.823 -0.164 0.000 1.015 161 V HN 0.798 nan 8.190 nan 0.000 0.477 162 C N 4.945 124.219 119.300 -0.044 0.000 2.281 162 C HA 0.689 5.149 4.460 -0.000 0.000 0.325 162 C C 1.068 176.079 174.990 0.035 0.000 1.282 162 C CA -0.932 58.105 59.018 0.032 0.000 1.640 162 C CB 0.282 28.130 27.740 0.179 0.000 2.288 162 C HN 0.983 nan 8.230 nan 0.000 0.507 163 G N 2.954 111.772 108.800 0.030 0.000 2.338 163 G HA2 0.530 4.490 3.960 -0.000 0.000 0.298 163 G HA3 0.530 4.490 3.960 -0.000 0.000 0.298 163 G C -0.844 174.104 174.900 0.081 0.000 1.140 163 G CA -0.141 44.983 45.100 0.039 0.000 0.860 163 G HN 0.807 nan 8.290 nan 0.000 0.470 164 Q N 1.526 121.377 119.800 0.084 0.000 2.309 164 Q HA 0.393 4.733 4.340 -0.000 0.000 0.270 164 Q C -0.849 175.210 176.000 0.098 0.000 1.023 164 Q CA -0.392 55.472 55.803 0.103 0.000 0.758 164 Q CB 2.634 31.429 28.738 0.094 0.000 1.247 164 Q HN 0.513 nan 8.270 nan 0.000 0.455 165 I N 4.963 125.611 120.570 0.130 0.000 2.355 165 I HA 0.434 4.604 4.170 -0.000 0.000 0.288 165 I C -0.126 176.001 176.117 0.017 0.000 0.999 165 I CA -0.722 60.662 61.300 0.139 0.000 1.163 165 I CB 0.846 39.033 38.000 0.312 0.000 1.316 165 I HN 0.522 nan 8.210 nan 0.000 0.454 166 I N 5.651 126.219 120.570 -0.003 0.000 2.693 166 I HA 0.750 4.920 4.170 -0.000 0.000 0.303 166 I C -2.621 173.448 176.117 -0.080 0.000 1.025 166 I CA -2.201 59.054 61.300 -0.075 0.000 1.086 166 I CB 2.033 40.014 38.000 -0.031 0.000 1.268 166 I HN 0.224 nan 8.210 nan 0.000 0.440 167 P HA 0.158 nan 4.420 nan 0.000 0.302 167 P C -0.184 177.031 177.300 -0.141 0.000 1.307 167 P CA -0.160 62.802 63.100 -0.229 0.000 0.754 167 P CB 0.648 32.090 31.700 -0.428 0.000 1.298 168 W N 0.132 121.440 121.300 0.012 0.000 3.107 168 W HA 0.055 4.715 4.660 -0.000 0.000 0.293 168 W C 0.931 177.401 176.519 -0.082 0.000 1.239 168 W CA 0.215 57.550 57.345 -0.017 0.000 1.653 168 W CB -1.600 27.856 29.460 -0.006 0.000 1.068 168 W HN 0.197 nan 8.180 nan 0.000 0.615 169 N N 2.117 120.559 118.700 -0.429 0.000 2.223 169 N HA -0.191 4.549 4.740 -0.000 0.000 0.185 169 N C -0.114 174.969 175.510 -0.712 0.000 1.016 169 N CA 0.970 53.734 53.050 -0.477 0.000 0.863 169 N CB -1.153 36.941 38.487 -0.656 0.000 0.983 169 N HN 0.118 nan 8.380 nan 0.000 0.429 170 F N -0.528 119.298 119.950 -0.205 0.000 2.794 170 F HA 0.415 4.941 4.527 -0.000 0.000 0.353 170 F C -1.834 173.843 175.800 -0.204 0.000 1.371 170 F CA -2.038 55.822 58.000 -0.233 0.000 1.173 170 F CB 2.165 40.939 39.000 -0.376 0.000 1.693 170 F HN -0.184 nan 8.300 nan 0.000 0.606 171 P HA -0.223 nan 4.420 nan 0.000 0.213 171 P C 1.917 179.208 177.300 -0.016 0.000 1.176 171 P CA 1.750 64.851 63.100 0.002 0.000 0.919 171 P CB 0.399 32.113 31.700 0.023 0.000 0.791 172 L N -2.047 119.168 121.223 -0.014 0.000 2.056 172 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 172 L C 2.454 179.278 176.870 -0.078 0.000 1.078 172 L CA 0.936 55.764 54.840 -0.019 0.000 0.749 172 L CB -0.951 41.109 42.059 0.002 0.000 0.901 172 L HN -0.020 nan 8.230 nan 0.000 0.433 173 L N -0.714 120.418 121.223 -0.151 0.000 2.046 173 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 173 L C 2.492 179.029 176.870 -0.555 0.000 1.077 173 L CA 1.780 56.391 54.840 -0.383 0.000 0.747 173 L CB -0.390 41.332 42.059 -0.562 0.000 0.896 173 L HN 0.178 nan 8.230 nan 0.000 0.432 174 M N -1.093 118.268 119.600 -0.399 0.000 2.117 174 M HA -0.239 4.241 4.480 -0.000 0.000 0.262 174 M C 2.273 178.538 176.300 -0.058 0.000 1.065 174 M CA 1.779 56.931 55.300 -0.247 0.000 1.114 174 M CB -0.999 31.517 32.600 -0.140 0.000 1.361 174 M HN 0.513 nan 8.290 nan 0.000 0.408 175 Q N 0.141 119.911 119.800 -0.050 0.000 2.084 175 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 175 Q C 1.998 178.009 176.000 0.019 0.000 0.978 175 Q CA 1.875 57.674 55.803 -0.007 0.000 0.844 175 Q CB -0.026 28.706 28.738 -0.010 0.000 0.898 175 Q HN 0.461 nan 8.270 nan 0.000 0.426 176 A N 0.187 123.023 122.820 0.027 0.000 1.902 176 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 176 A C 1.575 179.303 177.584 0.241 0.000 1.181 176 A CA 1.218 53.322 52.037 0.111 0.000 0.623 176 A CB -1.170 17.905 19.000 0.126 0.000 0.818 176 A HN 0.648 nan 8.150 nan 0.000 0.443 177 W N 0.490 121.794 121.300 0.008 0.000 2.364 177 W HA -0.072 4.588 4.660 -0.000 0.000 0.281 177 W C 2.096 178.580 176.519 -0.059 0.000 1.219 177 W CA 1.320 58.673 57.345 0.013 0.000 1.220 177 W CB -0.263 29.205 29.460 0.013 0.000 1.127 177 W HN 0.257 nan 8.180 nan 0.000 0.556 178 K N -0.326 120.171 120.400 0.162 0.000 2.078 178 K HA 0.069 4.388 4.320 -0.000 0.000 0.203 178 K C 2.074 178.587 176.600 -0.144 0.000 1.043 178 K CA 0.743 57.045 56.287 0.026 0.000 0.960 178 K CB -0.976 31.559 32.500 0.060 0.000 0.761 178 K HN 0.202 nan 8.250 nan 0.000 0.448 179 L N 0.416 121.583 121.223 -0.095 0.000 2.141 179 L HA -0.075 4.264 4.340 -0.000 0.000 0.209 179 L C 2.464 179.236 176.870 -0.162 0.000 1.094 179 L CA 1.210 55.964 54.840 -0.143 0.000 0.763 179 L CB -1.001 40.990 42.059 -0.114 0.000 0.908 179 L HN 0.264 nan 8.230 nan 0.000 0.437 180 G N 1.430 110.158 108.800 -0.120 0.000 2.545 180 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 180 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 180 G C -0.487 174.153 174.900 -0.434 0.000 1.218 180 G CA 1.052 46.090 45.100 -0.105 0.000 0.787 180 G HN 0.309 nan 8.290 nan 0.000 0.571 181 P HA 0.007 nan 4.420 nan 0.000 0.219 181 P C 1.993 178.911 177.300 -0.636 0.000 1.150 181 P CA 1.902 64.462 63.100 -0.901 0.000 0.814 181 P CB -0.109 31.037 31.700 -0.924 0.000 0.787 182 A N 0.389 122.698 122.820 -0.852 0.000 1.902 182 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 182 A C 2.410 179.912 177.584 -0.136 0.000 1.181 182 A CA 1.391 52.997 52.037 -0.719 0.000 0.623 182 A CB -1.538 17.059 19.000 -0.672 0.000 0.818 182 A HN 0.133 nan 8.150 nan 0.000 0.443 183 L N -1.041 120.167 121.223 -0.026 0.000 2.179 183 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 183 L C 2.972 180.028 176.870 0.310 0.000 1.096 183 L CA 0.748 55.763 54.840 0.292 0.000 0.779 183 L CB -0.496 41.730 42.059 0.280 0.000 0.922 183 L HN 0.398 nan 8.230 nan 0.000 0.443 184 A N 0.265 123.182 122.820 0.163 0.000 1.972 184 A HA -0.170 4.149 4.320 -0.000 0.000 0.219 184 A C 2.193 179.855 177.584 0.129 0.000 1.169 184 A CA 2.046 54.190 52.037 0.177 0.000 0.635 184 A CB -0.784 18.352 19.000 0.228 0.000 0.810 184 A HN 0.492 nan 8.150 nan 0.000 0.446 185 T N -4.466 110.146 114.554 0.098 0.000 3.163 185 T HA 0.427 4.777 4.350 -0.000 0.000 0.252 185 T C 1.204 175.988 174.700 0.140 0.000 1.056 185 T CA 0.904 63.074 62.100 0.118 0.000 0.947 185 T CB -0.005 68.930 68.868 0.111 0.000 1.016 185 T HN 1.639 nan 8.240 nan 0.000 0.554 186 G N 1.632 110.512 108.800 0.134 0.000 2.143 186 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.248 186 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.248 186 G C 0.026 175.214 174.900 0.481 0.000 0.991 186 G CA -0.164 44.986 45.100 0.084 0.000 0.689 186 G HN 0.597 nan 8.290 nan 0.000 0.522 187 N N -0.646 118.343 118.700 0.482 0.000 2.379 187 N HA 0.585 5.325 4.740 -0.000 0.000 0.260 187 N C 0.547 176.348 175.510 0.486 0.000 1.254 187 N CA 0.512 53.811 53.050 0.415 0.000 0.958 187 N CB 1.708 40.329 38.487 0.222 0.000 1.208 187 N HN 0.692 nan 8.380 nan 0.000 0.532 188 V N -2.097 117.948 119.914 0.219 0.000 2.815 188 V HA 0.732 4.852 4.120 -0.000 0.000 0.314 188 V C -0.134 175.957 176.094 -0.005 0.000 1.064 188 V CA -0.748 61.600 62.300 0.080 0.000 0.952 188 V CB 1.664 33.540 31.823 0.088 0.000 1.020 188 V HN 0.242 nan 8.190 nan 0.000 0.439 189 V N 2.505 122.388 119.914 -0.052 0.000 2.735 189 V HA 0.637 4.757 4.120 -0.000 0.000 0.310 189 V C -0.551 175.518 176.094 -0.040 0.000 1.061 189 V CA -0.557 61.719 62.300 -0.040 0.000 0.913 189 V CB 2.150 33.938 31.823 -0.059 0.000 1.005 189 V HN 0.790 nan 8.190 nan 0.000 0.428 190 V N 5.038 124.938 119.914 -0.022 0.000 2.398 190 V HA 0.435 4.555 4.120 -0.000 0.000 0.282 190 V C -0.274 175.828 176.094 0.014 0.000 1.014 190 V CA -0.204 62.086 62.300 -0.016 0.000 0.838 190 V CB 1.382 33.179 31.823 -0.043 0.000 1.018 190 V HN 0.897 nan 8.190 nan 0.000 0.432 191 M N 5.061 124.677 119.600 0.025 0.000 2.238 191 M HA 0.570 5.050 4.480 -0.000 0.000 0.350 191 M C -0.570 175.765 176.300 0.059 0.000 1.138 191 M CA -0.456 54.868 55.300 0.040 0.000 1.040 191 M CB 1.163 33.778 32.600 0.025 0.000 1.639 191 M HN 0.341 nan 8.290 nan 0.000 0.451 192 K N 5.678 126.119 120.400 0.069 0.000 2.389 192 K HA 0.349 4.669 4.320 -0.000 0.000 0.261 192 K C -1.134 175.513 176.600 0.078 0.000 1.014 192 K CA -0.369 55.965 56.287 0.078 0.000 0.920 192 K CB 0.694 33.246 32.500 0.086 0.000 1.149 192 K HN 0.698 nan 8.250 nan 0.000 0.444 193 V N 0.922 120.885 119.914 0.082 0.000 3.083 193 V HA 0.594 4.713 4.120 -0.000 0.000 0.306 193 V C 0.536 176.685 176.094 0.093 0.000 1.077 193 V CA -1.029 61.322 62.300 0.084 0.000 1.073 193 V CB 0.916 32.797 31.823 0.096 0.000 1.081 193 V HN 0.685 nan 8.190 nan 0.000 0.474 194 A N 2.605 125.493 122.820 0.113 0.000 2.477 194 A HA 0.287 4.607 4.320 -0.000 0.000 0.246 194 A C 1.335 179.000 177.584 0.134 0.000 1.078 194 A CA 0.267 52.396 52.037 0.154 0.000 0.770 194 A CB 0.048 19.204 19.000 0.260 0.000 1.011 194 A HN 1.128 nan 8.150 nan 0.000 0.494 195 E N 2.262 122.492 120.200 0.050 0.000 2.204 195 E HA -0.269 4.081 4.350 -0.000 0.000 0.195 195 E C 1.043 177.747 176.600 0.175 0.000 0.990 195 E CA 1.715 58.084 56.400 -0.051 0.000 0.821 195 E CB -0.272 29.149 29.700 -0.465 0.000 0.750 195 E HN 0.823 nan 8.360 nan 0.000 0.477 196 Q N 0.756 120.635 119.800 0.132 0.000 2.245 196 Q HA 0.002 4.342 4.340 -0.000 0.000 0.201 196 Q C 0.743 176.800 176.000 0.094 0.000 0.955 196 Q CA 1.716 57.560 55.803 0.069 0.000 0.870 196 Q CB 0.345 29.016 28.738 -0.112 0.000 0.945 196 Q HN 0.467 nan 8.270 nan 0.000 0.461 197 T N -3.412 111.231 114.554 0.147 0.000 3.542 197 T HA 0.297 4.647 4.350 -0.000 0.000 0.276 197 T C -2.430 172.338 174.700 0.114 0.000 1.412 197 T CA -1.334 60.836 62.100 0.116 0.000 1.664 197 T CB 1.135 70.083 68.868 0.133 0.000 0.863 197 T HN -0.037 nan 8.240 nan 0.000 0.661 198 P HA 0.183 nan 4.420 nan 0.000 0.234 198 P C 1.638 178.990 177.300 0.087 0.000 1.175 198 P CA -0.088 63.083 63.100 0.119 0.000 0.801 198 P CB 0.366 32.163 31.700 0.163 0.000 0.891 199 L N 0.675 121.930 121.223 0.054 0.000 1.971 199 L HA -0.184 4.156 4.340 -0.000 0.000 0.215 199 L C 2.866 179.794 176.870 0.097 0.000 1.072 199 L CA 2.893 57.763 54.840 0.050 0.000 0.758 199 L CB -2.269 39.794 42.059 0.007 0.000 0.889 199 L HN 0.105 nan 8.230 nan 0.000 0.433 200 T N -1.956 112.643 114.554 0.075 0.000 2.720 200 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 200 T C 1.955 176.742 174.700 0.146 0.000 1.037 200 T CA 1.107 63.270 62.100 0.105 0.000 1.144 200 T CB -0.564 68.334 68.868 0.050 0.000 0.864 200 T HN 0.353 nan 8.240 nan 0.000 0.444 201 A N 1.669 124.551 122.820 0.103 0.000 1.933 201 A HA 0.138 4.458 4.320 -0.000 0.000 0.218 201 A C 2.476 180.116 177.584 0.093 0.000 1.175 201 A CA 1.390 53.475 52.037 0.079 0.000 0.628 201 A CB -0.887 18.152 19.000 0.066 0.000 0.814 201 A HN 0.566 nan 8.150 nan 0.000 0.444 202 L N -2.405 118.912 121.223 0.157 0.000 2.093 202 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 202 L C 2.571 179.608 176.870 0.277 0.000 1.085 202 L CA 1.513 56.506 54.840 0.256 0.000 0.755 202 L CB -0.579 41.617 42.059 0.228 0.000 0.904 202 L HN 0.578 nan 8.230 nan 0.000 0.435 203 Y N 0.325 120.706 120.300 0.135 0.000 2.200 203 Y HA -0.179 4.371 4.550 -0.000 0.000 0.290 203 Y C 2.394 178.360 175.900 0.111 0.000 1.137 203 Y CA 1.270 59.467 58.100 0.162 0.000 1.163 203 Y CB -0.207 38.398 38.460 0.241 0.000 0.988 203 Y HN -0.184 nan 8.280 nan 0.000 0.518 204 V N 0.561 120.519 119.914 0.073 0.000 2.469 204 V HA -0.351 3.769 4.120 -0.000 0.000 0.251 204 V C 2.620 178.582 176.094 -0.219 0.000 1.064 204 V CA 1.654 63.923 62.300 -0.052 0.000 1.066 204 V CB -1.534 30.295 31.823 0.010 0.000 0.667 204 V HN 0.581 nan 8.190 nan 0.000 0.461 205 A N 0.110 122.750 122.820 -0.302 0.000 1.972 205 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 205 A C 2.070 179.220 177.584 -0.723 0.000 1.169 205 A CA 2.158 53.726 52.037 -0.782 0.000 0.635 205 A CB -0.677 17.579 19.000 -1.240 0.000 0.810 205 A HN 0.567 nan 8.150 nan 0.000 0.446 206 N N -0.062 118.458 118.700 -0.299 0.000 2.188 206 N HA -0.035 4.705 4.740 -0.000 0.000 0.184 206 N C 1.542 176.947 175.510 -0.175 0.000 1.018 206 N CA 1.149 54.130 53.050 -0.114 0.000 0.858 206 N CB -0.342 38.051 38.487 -0.158 0.000 0.989 206 N HN 0.513 nan 8.380 nan 0.000 0.426 207 L N -0.091 120.975 121.223 -0.261 0.000 2.156 207 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 207 L C 1.957 178.814 176.870 -0.022 0.000 1.095 207 L CA 0.617 55.377 54.840 -0.133 0.000 0.770 207 L CB -0.297 41.696 42.059 -0.109 0.000 0.914 207 L HN 0.168 nan 8.230 nan 0.000 0.439 208 I N 0.197 120.720 120.570 -0.078 0.000 2.226 208 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 208 I C 2.739 178.964 176.117 0.181 0.000 1.100 208 I CA 1.379 62.679 61.300 -0.000 0.000 1.374 208 I CB -0.249 37.602 38.000 -0.247 0.000 1.057 208 I HN 0.272 nan 8.210 nan 0.000 0.413 209 K N 1.210 121.685 120.400 0.125 0.000 2.025 209 K HA -0.250 4.070 4.320 -0.000 0.000 0.207 209 K C 2.105 178.782 176.600 0.128 0.000 1.049 209 K CA 1.687 58.082 56.287 0.180 0.000 0.933 209 K CB -0.100 32.525 32.500 0.209 0.000 0.714 209 K HN 0.247 nan 8.250 nan 0.000 0.438 210 E N -0.033 120.217 120.200 0.085 0.000 2.110 210 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 210 E C 1.683 178.328 176.600 0.075 0.000 0.988 210 E CA 1.021 57.458 56.400 0.060 0.000 0.804 210 E CB -0.128 29.586 29.700 0.023 0.000 0.745 210 E HN 0.451 nan 8.360 nan 0.000 0.458 211 A N -0.035 122.856 122.820 0.119 0.000 2.070 211 A HA 0.016 4.336 4.320 -0.000 0.000 0.220 211 A C 1.919 179.521 177.584 0.029 0.000 1.159 211 A CA 1.560 53.662 52.037 0.108 0.000 0.656 211 A CB -0.509 18.636 19.000 0.241 0.000 0.800 211 A HN 0.557 nan 8.150 nan 0.000 0.453 212 G N -3.061 105.786 108.800 0.078 0.000 2.184 212 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.206 212 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.206 212 G C 0.022 174.933 174.900 0.019 0.000 0.995 212 G CA -0.206 44.911 45.100 0.028 0.000 0.651 212 G HN 0.291 nan 8.290 nan 0.000 0.511 213 F N 1.963 121.933 119.950 0.034 0.000 2.608 213 F HA 0.379 4.906 4.527 -0.000 0.000 0.380 213 F C -1.111 174.659 175.800 -0.050 0.000 1.083 213 F CA -1.025 56.959 58.000 -0.027 0.000 1.266 213 F CB 0.313 39.234 39.000 -0.132 0.000 1.076 213 F HN -0.084 nan 8.300 nan 0.000 0.574 214 P HA 0.027 nan 4.420 nan 0.000 0.267 214 P C -2.484 174.805 177.300 -0.018 0.000 1.200 214 P CA -0.799 62.337 63.100 0.060 0.000 0.772 214 P CB -0.021 31.752 31.700 0.121 0.000 0.855 215 P HA 0.027 nan 4.420 nan 0.000 0.265 215 P C 0.982 178.219 177.300 -0.104 0.000 1.193 215 P CA 1.150 64.198 63.100 -0.087 0.000 0.765 215 P CB 0.089 31.745 31.700 -0.074 0.000 0.823 216 G N 1.432 110.139 108.800 -0.155 0.000 2.176 216 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.253 216 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.253 216 G C 0.883 175.695 174.900 -0.147 0.000 0.979 216 G CA 0.214 45.234 45.100 -0.133 0.000 0.641 216 G HN 0.400 nan 8.290 nan 0.000 0.530 217 V N -0.350 119.425 119.914 -0.232 0.000 2.379 217 V HA 0.136 4.256 4.120 -0.000 0.000 0.245 217 V C 1.422 177.345 176.094 -0.286 0.000 1.044 217 V CA 1.871 63.926 62.300 -0.409 0.000 1.036 217 V CB 0.299 31.627 31.823 -0.825 0.000 0.664 217 V HN 0.342 nan 8.190 nan 0.000 0.453 218 V N 1.806 121.599 119.914 -0.202 0.000 2.483 218 V HA 0.476 4.596 4.120 -0.000 0.000 0.297 218 V C -0.841 175.277 176.094 0.040 0.000 1.027 218 V CA -0.741 61.489 62.300 -0.116 0.000 0.855 218 V CB 1.723 33.430 31.823 -0.192 0.000 0.995 218 V HN 0.450 nan 8.190 nan 0.000 0.424 219 N N 5.492 124.209 118.700 0.029 0.000 2.296 219 N HA 0.626 5.366 4.740 -0.000 0.000 0.294 219 N C -1.263 174.306 175.510 0.098 0.000 1.033 219 N CA -0.428 52.666 53.050 0.074 0.000 0.839 219 N CB 3.035 41.501 38.487 -0.034 0.000 1.395 219 N HN 0.480 nan 8.380 nan 0.000 0.479 220 I N 1.529 122.207 120.570 0.179 0.000 2.406 220 I HA 0.345 4.515 4.170 -0.000 0.000 0.290 220 I C -0.382 175.829 176.117 0.157 0.000 0.999 220 I CA -1.008 60.374 61.300 0.136 0.000 1.124 220 I CB 2.111 40.179 38.000 0.114 0.000 1.289 220 I HN 0.058 nan 8.210 nan 0.000 0.441 221 V N 7.911 127.898 119.914 0.122 0.000 2.305 221 V HA 0.299 4.419 4.120 -0.000 0.000 0.275 221 V C -2.113 174.059 176.094 0.130 0.000 1.020 221 V CA -1.557 60.819 62.300 0.126 0.000 0.811 221 V CB 1.240 33.114 31.823 0.085 0.000 1.031 221 V HN 0.576 nan 8.190 nan 0.000 0.439 222 P HA 0.574 nan 4.420 nan 0.000 0.275 222 P C 0.157 177.543 177.300 0.142 0.000 1.228 222 P CA 0.490 63.710 63.100 0.200 0.000 0.786 222 P CB 2.075 33.942 31.700 0.278 0.000 0.927 223 G N 0.910 109.661 108.800 -0.082 0.000 2.343 223 G HA2 0.278 4.238 3.960 -0.000 0.000 0.289 223 G HA3 0.278 4.238 3.960 -0.000 0.000 0.289 223 G C -1.541 172.988 174.900 -0.620 0.000 1.295 223 G CA -0.891 43.941 45.100 -0.447 0.000 0.869 223 G HN 0.265 nan 8.290 nan 0.000 0.522 224 F N 0.421 120.230 119.950 -0.234 0.000 2.368 224 F HA 0.520 5.047 4.527 -0.000 0.000 0.315 224 F C 1.896 177.666 175.800 -0.049 0.000 1.145 224 F CA 0.634 58.535 58.000 -0.164 0.000 1.095 224 F CB 1.293 40.195 39.000 -0.163 0.000 1.286 224 F HN 0.642 nan 8.300 nan 0.000 0.530 225 G N 0.339 109.264 108.800 0.209 0.000 2.404 225 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.214 225 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.214 225 G C -1.067 173.893 174.900 0.100 0.000 1.189 225 G CA 0.488 45.674 45.100 0.143 0.000 0.789 225 G HN 0.462 nan 8.290 nan 0.000 0.533 226 P HA 0.033 nan 4.420 nan 0.000 0.230 226 P C 1.651 178.980 177.300 0.048 0.000 1.158 226 P CA 1.751 64.875 63.100 0.040 0.000 0.769 226 P CB 0.204 31.911 31.700 0.011 0.000 0.807 227 T N -3.663 110.940 114.554 0.082 0.000 3.535 227 T HA 0.276 4.625 4.350 -0.000 0.000 0.223 227 T C 1.942 176.689 174.700 0.077 0.000 0.933 227 T CA 0.579 62.728 62.100 0.082 0.000 1.445 227 T CB -1.105 67.834 68.868 0.119 0.000 1.286 227 T HN -0.123 nan 8.240 nan 0.000 0.436 228 A N 1.764 124.634 122.820 0.084 0.000 1.877 228 A HA 0.264 4.584 4.320 -0.000 0.000 0.216 228 A C 2.626 180.255 177.584 0.074 0.000 1.186 228 A CA 1.932 54.012 52.037 0.072 0.000 0.620 228 A CB -1.758 17.277 19.000 0.059 0.000 0.822 228 A HN 0.684 nan 8.150 nan 0.000 0.443 229 G N -0.397 108.452 108.800 0.081 0.000 2.459 229 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.217 229 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.217 229 G C 1.769 176.708 174.900 0.064 0.000 1.183 229 G CA 1.652 46.805 45.100 0.089 0.000 0.776 229 G HN 0.853 nan 8.290 nan 0.000 0.552 230 A N 0.973 123.821 122.820 0.046 0.000 1.972 230 A HA 0.313 4.632 4.320 -0.000 0.000 0.219 230 A C 2.787 180.392 177.584 0.035 0.000 1.169 230 A CA 2.113 54.163 52.037 0.022 0.000 0.635 230 A CB -0.663 18.343 19.000 0.011 0.000 0.810 230 A HN 0.810 nan 8.150 nan 0.000 0.446 231 A N 0.003 122.855 122.820 0.054 0.000 1.902 231 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 231 A C 2.104 179.758 177.584 0.117 0.000 1.181 231 A CA 1.531 53.612 52.037 0.074 0.000 0.623 231 A CB -0.542 18.509 19.000 0.085 0.000 0.818 231 A HN 0.501 nan 8.150 nan 0.000 0.443 232 I N -0.404 120.225 120.570 0.097 0.000 2.202 232 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 232 I C 2.954 179.122 176.117 0.085 0.000 1.091 232 I CA 1.020 62.375 61.300 0.092 0.000 1.368 232 I CB -0.316 37.722 38.000 0.065 0.000 1.058 232 I HN 0.341 nan 8.210 nan 0.000 0.410 233 A N -0.350 122.504 122.820 0.055 0.000 1.972 233 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 233 A C 2.293 179.892 177.584 0.025 0.000 1.169 233 A CA 2.051 54.103 52.037 0.026 0.000 0.635 233 A CB -0.442 18.550 19.000 -0.014 0.000 0.810 233 A HN 0.401 nan 8.150 nan 0.000 0.446 234 S N -1.165 114.556 115.700 0.035 0.000 2.540 234 S HA 0.100 4.570 4.470 -0.000 0.000 0.218 234 S C 0.511 175.128 174.600 0.029 0.000 0.977 234 S CA -0.570 57.640 58.200 0.016 0.000 0.918 234 S CB -0.215 62.980 63.200 -0.008 0.000 0.806 234 S HN 0.672 nan 8.310 nan 0.000 0.496 235 H N 2.707 121.773 119.070 -0.007 0.000 2.928 235 H HA 0.081 4.637 4.556 -0.000 0.000 0.338 235 H C 0.832 176.155 175.328 -0.008 0.000 1.047 235 H CA 0.604 56.649 56.048 -0.005 0.000 1.435 235 H CB 0.679 30.439 29.762 -0.002 0.000 1.428 235 H HN 0.118 nan 8.280 nan 0.000 0.590 236 E N 2.901 123.089 120.200 -0.019 0.000 2.427 236 E HA -0.109 4.241 4.350 -0.000 0.000 0.196 236 E C 0.592 177.298 176.600 0.178 0.000 1.028 236 E CA 0.705 57.136 56.400 0.051 0.000 0.864 236 E CB 0.254 29.926 29.700 -0.047 0.000 0.813 236 E HN 0.586 nan 8.360 nan 0.000 0.514 237 D N -0.487 120.180 120.400 0.445 0.000 2.479 237 D HA 0.053 4.693 4.640 -0.000 0.000 0.218 237 D C -0.725 175.598 176.300 0.038 0.000 1.177 237 D CA -0.040 54.077 54.000 0.195 0.000 0.830 237 D CB 0.682 41.591 40.800 0.181 0.000 1.014 237 D HN -0.222 nan 8.370 nan 0.000 0.503 238 V N 1.689 121.633 119.914 0.051 0.000 2.383 238 V HA 0.152 4.272 4.120 -0.000 0.000 0.275 238 V C 0.822 176.907 176.094 -0.016 0.000 1.036 238 V CA -0.373 61.906 62.300 -0.035 0.000 0.889 238 V CB 1.722 33.530 31.823 -0.026 0.000 0.985 238 V HN 0.077 nan 8.190 nan 0.000 0.459 239 D N 3.021 123.390 120.400 -0.053 0.000 2.249 239 D HA 0.038 4.678 4.640 -0.000 0.000 0.205 239 D C 0.787 177.056 176.300 -0.052 0.000 0.962 239 D CA 0.979 54.947 54.000 -0.054 0.000 0.860 239 D CB 0.609 41.354 40.800 -0.092 0.000 0.955 239 D HN 0.401 nan 8.370 nan 0.000 0.505 240 K N 0.377 120.746 120.400 -0.052 0.000 2.551 240 K HA 0.390 4.710 4.320 -0.000 0.000 0.269 240 K C -2.058 174.525 176.600 -0.028 0.000 0.949 240 K CA -0.618 55.634 56.287 -0.059 0.000 0.849 240 K CB 3.082 35.518 32.500 -0.107 0.000 1.411 240 K HN -0.153 nan 8.250 nan 0.000 0.432 241 V N 1.860 121.762 119.914 -0.020 0.000 2.577 241 V HA 0.783 4.903 4.120 -0.000 0.000 0.303 241 V C -1.467 174.651 176.094 0.040 0.000 1.042 241 V CA -0.381 61.935 62.300 0.027 0.000 0.872 241 V CB 1.564 33.410 31.823 0.039 0.000 0.998 241 V HN 0.874 nan 8.190 nan 0.000 0.423 242 A N 6.625 129.497 122.820 0.087 0.000 2.287 242 A HA 0.849 5.169 4.320 -0.000 0.000 0.317 242 A C -1.278 176.419 177.584 0.189 0.000 1.220 242 A CA -0.433 51.669 52.037 0.109 0.000 0.835 242 A CB 0.879 19.954 19.000 0.125 0.000 1.180 242 A HN 1.165 nan 8.150 nan 0.000 0.500 243 F N 2.147 122.117 119.950 0.035 0.000 2.520 243 F HA 0.708 5.235 4.527 -0.000 0.000 0.322 243 F C -0.333 175.497 175.800 0.049 0.000 1.103 243 F CA -0.043 57.981 58.000 0.039 0.000 0.926 243 F CB 2.325 41.339 39.000 0.025 0.000 1.154 243 F HN 0.413 nan 8.300 nan 0.000 0.453 244 T N 4.541 118.550 114.554 -0.910 0.000 2.881 244 T HA 0.784 5.134 4.350 -0.000 0.000 0.291 244 T C -0.171 173.857 174.700 -1.120 0.000 0.990 244 T CA -0.228 61.455 62.100 -0.694 0.000 0.976 244 T CB 1.191 69.909 68.868 -0.250 0.000 0.970 244 T HN 1.129 nan 8.240 nan 0.000 0.438 245 G N 1.963 110.300 108.800 -0.772 0.000 2.455 245 G HA2 0.411 4.371 3.960 -0.000 0.000 0.223 245 G HA3 0.411 4.371 3.960 -0.000 0.000 0.223 245 G C -0.586 174.288 174.900 -0.042 0.000 1.226 245 G CA -0.222 44.617 45.100 -0.434 0.000 0.948 245 G HN 0.983 nan 8.290 nan 0.000 0.478 246 S N -0.271 115.516 115.700 0.146 0.000 2.576 246 S HA 0.438 4.908 4.470 -0.000 0.000 0.276 246 S C 1.308 176.050 174.600 0.236 0.000 1.339 246 S CA 1.075 59.356 58.200 0.135 0.000 1.039 246 S CB 1.336 64.607 63.200 0.118 0.000 0.902 246 S HN 0.843 nan 8.310 nan 0.000 0.516 247 T N 1.448 116.108 114.554 0.176 0.000 2.833 247 T HA -0.126 4.223 4.350 -0.000 0.000 0.269 247 T C 1.604 176.360 174.700 0.093 0.000 1.054 247 T CA 1.674 63.872 62.100 0.164 0.000 1.135 247 T CB -0.443 68.532 68.868 0.177 0.000 0.869 247 T HN 0.864 nan 8.240 nan 0.000 0.466 248 E N 0.479 120.726 120.200 0.078 0.000 2.051 248 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 248 E C 1.876 178.467 176.600 -0.015 0.000 0.991 248 E CA 0.991 57.409 56.400 0.031 0.000 0.799 248 E CB -0.008 29.716 29.700 0.040 0.000 0.748 248 E HN 0.298 nan 8.360 nan 0.000 0.449 249 I N 0.829 121.393 120.570 -0.009 0.000 2.617 249 I HA -0.056 4.114 4.170 -0.000 0.000 0.256 249 I C 2.459 178.305 176.117 -0.452 0.000 1.167 249 I CA 1.084 62.278 61.300 -0.175 0.000 1.469 249 I CB -1.521 36.426 38.000 -0.088 0.000 1.098 249 I HN 0.202 nan 8.210 nan 0.000 0.436 250 G N 1.359 109.994 108.800 -0.275 0.000 2.442 250 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.219 250 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.219 250 G C 1.854 176.645 174.900 -0.182 0.000 1.141 250 G CA 0.345 45.297 45.100 -0.248 0.000 0.763 250 G HN 0.340 nan 8.290 nan 0.000 0.554 251 R N -0.147 120.287 120.500 -0.111 0.000 2.075 251 R HA 0.010 4.350 4.340 -0.000 0.000 0.232 251 R C 2.593 178.827 176.300 -0.111 0.000 1.126 251 R CA 1.057 57.106 56.100 -0.084 0.000 0.963 251 R CB -0.665 29.603 30.300 -0.054 0.000 0.858 251 R HN 0.283 nan 8.270 nan 0.000 0.435 252 V N 1.703 121.531 119.914 -0.143 0.000 2.343 252 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 252 V C 2.371 178.369 176.094 -0.159 0.000 1.051 252 V CA 1.512 63.730 62.300 -0.137 0.000 1.036 252 V CB -0.418 31.320 31.823 -0.140 0.000 0.654 252 V HN 0.239 nan 8.190 nan 0.000 0.451 253 I N -0.068 120.351 120.570 -0.252 0.000 2.142 253 I HA -0.282 3.888 4.170 -0.000 0.000 0.240 253 I C 2.577 178.617 176.117 -0.129 0.000 1.078 253 I CA 2.029 63.191 61.300 -0.231 0.000 1.343 253 I CB -1.227 36.542 38.000 -0.385 0.000 1.046 253 I HN 0.404 nan 8.210 nan 0.000 0.405 254 Q N 0.825 120.556 119.800 -0.115 0.000 2.096 254 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 254 Q C 2.207 178.171 176.000 -0.060 0.000 0.982 254 Q CA 1.846 57.607 55.803 -0.070 0.000 0.850 254 Q CB -0.160 28.543 28.738 -0.058 0.000 0.901 254 Q HN 0.333 nan 8.270 nan 0.000 0.422 255 V N 0.454 120.329 119.914 -0.065 0.000 2.427 255 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 255 V C 2.237 178.302 176.094 -0.048 0.000 1.051 255 V CA 1.646 63.914 62.300 -0.052 0.000 1.048 255 V CB -1.098 30.694 31.823 -0.052 0.000 0.666 255 V HN 0.537 nan 8.190 nan 0.000 0.456 256 A N -0.056 122.731 122.820 -0.055 0.000 1.930 256 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 256 A C 2.406 179.971 177.584 -0.033 0.000 1.175 256 A CA 1.916 53.927 52.037 -0.043 0.000 0.627 256 A CB -0.632 18.339 19.000 -0.048 0.000 0.815 256 A HN 0.546 nan 8.150 nan 0.000 0.443 257 A N -0.427 122.371 122.820 -0.036 0.000 1.873 257 A HA 0.151 4.471 4.320 -0.000 0.000 0.215 257 A C 2.406 179.975 177.584 -0.025 0.000 1.186 257 A CA 1.822 53.843 52.037 -0.026 0.000 0.616 257 A CB -1.367 17.615 19.000 -0.030 0.000 0.823 257 A HN 0.724 nan 8.150 nan 0.000 0.442 258 G N -1.050 107.733 108.800 -0.030 0.000 2.443 258 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.219 258 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.219 258 G C 1.591 176.476 174.900 -0.025 0.000 1.131 258 G CA 1.239 46.323 45.100 -0.027 0.000 0.775 258 G HN 0.496 nan 8.290 nan 0.000 0.547 259 S N 0.051 115.735 115.700 -0.026 0.000 2.528 259 S HA 0.066 4.536 4.470 -0.000 0.000 0.219 259 S C 2.243 176.829 174.600 -0.023 0.000 0.985 259 S CA 0.800 58.985 58.200 -0.025 0.000 0.914 259 S CB 0.148 63.331 63.200 -0.027 0.000 0.776 259 S HN 0.624 nan 8.310 nan 0.000 0.526 260 S N 3.188 118.875 115.700 -0.021 0.000 2.836 260 S HA 0.111 4.581 4.470 -0.000 0.000 0.164 260 S C 0.948 175.540 174.600 -0.013 0.000 0.714 260 S CA 0.171 58.359 58.200 -0.018 0.000 0.906 260 S CB -0.501 62.691 63.200 -0.013 0.000 0.702 260 S HN 0.452 nan 8.310 nan 0.000 0.571 261 N N 1.273 119.969 118.700 -0.005 0.000 2.235 261 N HA 0.270 5.010 4.740 -0.000 0.000 0.231 261 N C 0.138 175.644 175.510 -0.006 0.000 1.177 261 N CA -0.094 52.955 53.050 -0.002 0.000 0.874 261 N CB -0.398 38.096 38.487 0.011 0.000 1.097 261 N HN 0.634 nan 8.380 nan 0.000 0.518 262 L N -0.301 120.915 121.223 -0.012 0.000 3.865 262 L HA -0.293 4.047 4.340 -0.000 0.000 0.408 262 L C 0.076 176.935 176.870 -0.019 0.000 1.209 262 L CA 0.651 55.481 54.840 -0.017 0.000 0.940 262 L CB -1.739 40.310 42.059 -0.017 0.000 1.971 262 L HN 0.454 nan 8.230 nan 0.000 0.899 263 K N 0.672 121.063 120.400 -0.016 0.000 2.397 263 K HA 0.349 4.669 4.320 -0.000 0.000 0.265 263 K C 0.346 176.927 176.600 -0.033 0.000 0.982 263 K CA -0.472 55.802 56.287 -0.021 0.000 0.931 263 K CB 0.517 33.009 32.500 -0.012 0.000 0.943 263 K HN 0.176 nan 8.250 nan 0.000 0.501 264 R N 0.761 121.233 120.500 -0.046 0.000 2.641 264 R HA 0.258 4.598 4.340 -0.000 0.000 0.269 264 R C -0.540 175.725 176.300 -0.059 0.000 1.074 264 R CA -0.659 55.404 56.100 -0.060 0.000 1.133 264 R CB 0.812 31.062 30.300 -0.084 0.000 1.029 264 R HN 0.385 nan 8.270 nan 0.000 0.488 265 V N 1.085 120.965 119.914 -0.056 0.000 2.760 265 V HA 0.371 4.490 4.120 -0.000 0.000 0.309 265 V C -0.340 175.731 176.094 -0.037 0.000 1.077 265 V CA -0.839 61.439 62.300 -0.037 0.000 0.910 265 V CB 2.225 34.034 31.823 -0.024 0.000 1.008 265 V HN 1.009 nan 8.190 nan 0.000 0.424 266 T N 2.674 117.218 114.554 -0.017 0.000 2.886 266 T HA 0.852 5.202 4.350 -0.000 0.000 0.292 266 T C -1.036 173.706 174.700 0.070 0.000 1.012 266 T CA -0.658 61.438 62.100 -0.006 0.000 0.982 266 T CB 1.523 70.359 68.868 -0.053 0.000 1.018 266 T HN 0.398 nan 8.240 nan 0.000 0.451 267 L N 1.812 123.081 121.223 0.077 0.000 2.386 267 L HA 0.749 5.089 4.340 -0.000 0.000 0.271 267 L C -0.520 176.409 176.870 0.098 0.000 0.993 267 L CA -0.979 53.952 54.840 0.151 0.000 0.819 267 L CB 2.213 44.370 42.059 0.164 0.000 1.294 267 L HN 0.720 nan 8.230 nan 0.000 0.414 268 E N 3.409 123.665 120.200 0.095 0.000 2.437 268 E HA 0.519 4.869 4.350 -0.000 0.000 0.238 268 E C -1.350 175.273 176.600 0.038 0.000 0.969 268 E CA -0.218 56.208 56.400 0.045 0.000 0.759 268 E CB 0.689 30.422 29.700 0.055 0.000 1.283 268 E HN 0.456 nan 8.360 nan 0.000 0.416 269 L N 1.441 122.710 121.223 0.076 0.000 2.751 269 L HA 0.767 5.107 4.340 -0.000 0.000 0.241 269 L C 1.357 178.252 176.870 0.041 0.000 1.146 269 L CA -0.984 53.913 54.840 0.095 0.000 0.879 269 L CB 0.270 42.435 42.059 0.178 0.000 1.687 269 L HN 0.529 nan 8.230 nan 0.000 0.527 270 G N -1.640 107.164 108.800 0.007 0.000 2.508 270 G HA2 0.562 4.522 3.960 -0.000 0.000 0.278 270 G HA3 0.562 4.522 3.960 -0.000 0.000 0.278 270 G C -0.476 174.136 174.900 -0.481 0.000 1.389 270 G CA 0.165 45.152 45.100 -0.187 0.000 1.050 270 G HN 0.853 nan 8.290 nan 0.000 0.522 271 G N -2.127 106.190 108.800 -0.805 0.000 2.550 271 G HA2 0.487 4.446 3.960 -0.000 0.000 0.293 271 G HA3 0.487 4.446 3.960 -0.000 0.000 0.293 271 G C -1.422 173.098 174.900 -0.634 0.000 1.402 271 G CA -0.513 44.054 45.100 -0.889 0.000 0.784 271 G HN 0.600 nan 8.290 nan 0.000 0.482 272 K N 0.530 120.809 120.400 -0.202 0.000 3.350 272 K HA 0.439 4.759 4.320 -0.000 0.000 0.167 272 K C -0.125 176.544 176.600 0.115 0.000 1.058 272 K CA -0.319 55.981 56.287 0.022 0.000 0.783 272 K CB 0.212 32.820 32.500 0.180 0.000 0.872 272 K HN 0.430 nan 8.250 nan 0.000 0.561 273 S N 3.700 119.478 115.700 0.130 0.000 2.525 273 S HA 0.137 4.606 4.470 -0.000 0.000 0.285 273 S C -2.313 172.437 174.600 0.249 0.000 1.283 273 S CA -0.556 57.772 58.200 0.213 0.000 1.072 273 S CB 0.266 63.654 63.200 0.314 0.000 0.867 273 S HN 0.376 nan 8.310 nan 0.000 0.492 274 P HA 0.178 nan 4.420 nan 0.000 0.286 274 P C -1.040 176.484 177.300 0.373 0.000 1.269 274 P CA -0.569 62.747 63.100 0.361 0.000 0.787 274 P CB 0.467 32.401 31.700 0.390 0.000 0.920 275 N N 3.875 122.786 118.700 0.352 0.000 2.511 275 N HA 0.329 5.069 4.740 -0.000 0.000 0.249 275 N C -0.762 174.947 175.510 0.331 0.000 0.971 275 N CA -0.653 52.613 53.050 0.360 0.000 0.938 275 N CB 0.510 39.099 38.487 0.171 0.000 1.131 275 N HN 0.302 nan 8.380 nan 0.000 0.505 276 I N 4.649 125.424 120.570 0.342 0.000 2.315 276 I HA 0.286 4.456 4.170 -0.000 0.000 0.291 276 I C -0.181 176.133 176.117 0.329 0.000 1.006 276 I CA -0.731 60.737 61.300 0.280 0.000 1.265 276 I CB 1.173 39.228 38.000 0.092 0.000 1.387 276 I HN 0.386 nan 8.210 nan 0.000 0.475 277 I N 6.999 127.735 120.570 0.277 0.000 2.330 277 I HA 0.320 4.490 4.170 -0.000 0.000 0.286 277 I C 0.164 176.436 176.117 0.259 0.000 1.025 277 I CA -0.559 60.855 61.300 0.190 0.000 1.197 277 I CB 0.824 38.712 38.000 -0.188 0.000 1.358 277 I HN 0.472 nan 8.210 nan 0.000 0.467 278 M N 3.747 123.516 119.600 0.281 0.000 2.228 278 M HA 0.147 4.626 4.480 -0.000 0.000 0.326 278 M C 1.693 178.068 176.300 0.125 0.000 1.122 278 M CA -0.053 55.388 55.300 0.236 0.000 1.161 278 M CB 0.650 33.377 32.600 0.212 0.000 1.437 278 M HN 0.668 nan 8.290 nan 0.000 0.465 279 S N 0.278 116.014 115.700 0.060 0.000 2.442 279 S HA -0.152 4.318 4.470 -0.000 0.000 0.236 279 S C 0.824 175.465 174.600 0.069 0.000 1.007 279 S CA 1.343 59.564 58.200 0.035 0.000 0.965 279 S CB -0.516 62.682 63.200 -0.004 0.000 0.773 279 S HN 0.748 nan 8.310 nan 0.000 0.504 280 D N 1.623 122.075 120.400 0.087 0.000 2.328 280 D HA 0.361 5.001 4.640 -0.000 0.000 0.221 280 D C 0.600 176.976 176.300 0.127 0.000 1.072 280 D CA 0.138 54.192 54.000 0.091 0.000 0.850 280 D CB -0.309 40.535 40.800 0.074 0.000 0.922 280 D HN 0.509 nan 8.370 nan 0.000 0.516 281 A N 0.497 123.418 122.820 0.169 0.000 2.406 281 A HA 0.167 4.486 4.320 -0.000 0.000 0.243 281 A C 0.296 178.019 177.584 0.232 0.000 1.082 281 A CA -0.345 51.838 52.037 0.242 0.000 0.786 281 A CB 0.223 19.414 19.000 0.319 0.000 1.029 281 A HN 0.162 nan 8.150 nan 0.000 0.495 282 D N 1.810 122.383 120.400 0.288 0.000 2.344 282 D HA 0.113 4.753 4.640 -0.000 0.000 0.253 282 D C 1.066 177.539 176.300 0.288 0.000 1.255 282 D CA -0.253 53.902 54.000 0.257 0.000 0.894 282 D CB 0.533 41.497 40.800 0.272 0.000 1.067 282 D HN 0.448 nan 8.370 nan 0.000 0.492 283 M N 4.209 123.935 119.600 0.210 0.000 2.110 283 M HA -0.232 4.248 4.480 -0.000 0.000 0.257 283 M C 1.027 177.422 176.300 0.159 0.000 1.071 283 M CA 1.878 57.293 55.300 0.191 0.000 1.096 283 M CB -0.425 32.256 32.600 0.136 0.000 1.300 283 M HN 0.307 nan 8.290 nan 0.000 0.411 284 D N -0.961 119.526 120.400 0.144 0.000 2.123 284 D HA -0.233 4.407 4.640 -0.000 0.000 0.196 284 D C 1.774 178.181 176.300 0.179 0.000 0.992 284 D CA 1.505 55.575 54.000 0.116 0.000 0.833 284 D CB -0.664 40.206 40.800 0.117 0.000 0.954 284 D HN 0.655 nan 8.370 nan 0.000 0.455 285 W N 1.561 122.901 121.300 0.066 0.000 2.378 285 W HA -0.182 4.478 4.660 -0.000 0.000 0.313 285 W C 2.178 178.747 176.519 0.083 0.000 1.197 285 W CA 1.533 58.939 57.345 0.101 0.000 1.304 285 W CB -0.167 29.394 29.460 0.168 0.000 1.148 285 W HN 0.003 nan 8.180 nan 0.000 0.494 286 A N 0.403 123.294 122.820 0.118 0.000 1.940 286 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 286 A C 2.031 179.511 177.584 -0.173 0.000 1.176 286 A CA 2.245 54.144 52.037 -0.231 0.000 0.631 286 A CB -1.146 17.885 19.000 0.051 0.000 0.814 286 A HN 0.182 nan 8.150 nan 0.000 0.446 287 V N -0.181 119.676 119.914 -0.096 0.000 2.307 287 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 287 V C 2.629 178.583 176.094 -0.233 0.000 1.045 287 V CA 2.399 64.502 62.300 -0.329 0.000 1.024 287 V CB -0.656 30.924 31.823 -0.404 0.000 0.651 287 V HN 0.694 nan 8.190 nan 0.000 0.449 288 E N -0.024 120.052 120.200 -0.207 0.000 2.077 288 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 288 E C 2.271 178.761 176.600 -0.183 0.000 0.989 288 E CA 1.365 57.658 56.400 -0.177 0.000 0.800 288 E CB -0.257 29.337 29.700 -0.177 0.000 0.746 288 E HN 0.494 nan 8.360 nan 0.000 0.452 289 Q N -0.320 119.231 119.800 -0.415 0.000 2.119 289 Q HA -0.024 4.316 4.340 -0.000 0.000 0.201 289 Q C 2.124 178.009 176.000 -0.192 0.000 0.972 289 Q CA 1.414 56.993 55.803 -0.374 0.000 0.847 289 Q CB -0.457 27.938 28.738 -0.572 0.000 0.903 289 Q HN 0.389 nan 8.270 nan 0.000 0.433 290 A N 0.002 122.680 122.820 -0.236 0.000 1.969 290 A HA -0.212 4.107 4.320 -0.000 0.000 0.218 290 A C 1.904 179.463 177.584 -0.041 0.000 1.169 290 A CA 1.781 53.734 52.037 -0.139 0.000 0.635 290 A CB -0.678 18.374 19.000 0.085 0.000 0.810 290 A HN 0.463 nan 8.150 nan 0.000 0.445 291 H N -1.703 117.355 119.070 -0.021 0.000 2.326 291 H HA -0.118 4.438 4.556 -0.000 0.000 0.301 291 H C 1.708 177.168 175.328 0.220 0.000 1.081 291 H CA 2.144 58.290 56.048 0.163 0.000 1.334 291 H CB -0.372 29.434 29.762 0.073 0.000 1.385 291 H HN 0.452 nan 8.280 nan 0.000 0.504 292 F N 0.807 120.798 119.950 0.068 0.000 2.102 292 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 292 F C 2.552 178.330 175.800 -0.036 0.000 1.105 292 F CA 1.544 59.570 58.000 0.044 0.000 1.239 292 F CB -0.742 38.239 39.000 -0.032 0.000 0.991 292 F HN 0.299 nan 8.300 nan 0.000 0.474 293 A N 0.609 123.332 122.820 -0.162 0.000 1.927 293 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 293 A C 2.234 179.559 177.584 -0.433 0.000 1.185 293 A CA 2.028 53.749 52.037 -0.526 0.000 0.639 293 A CB -1.071 17.251 19.000 -1.130 0.000 0.820 293 A HN 0.541 nan 8.150 nan 0.000 0.451 294 L N -2.138 118.841 121.223 -0.408 0.000 2.189 294 L HA 0.162 4.501 4.340 -0.000 0.000 0.199 294 L C 2.148 178.688 176.870 -0.550 0.000 1.074 294 L CA 1.616 56.158 54.840 -0.497 0.000 0.783 294 L CB -0.922 40.741 42.059 -0.659 0.000 0.955 294 L HN 0.423 nan 8.230 nan 0.000 0.460 295 F N -0.516 119.237 119.950 -0.328 0.000 2.558 295 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 295 F C 1.173 176.825 175.800 -0.247 0.000 1.119 295 F CA -0.126 57.688 58.000 -0.309 0.000 1.451 295 F CB -0.454 38.265 39.000 -0.468 0.000 1.091 295 F HN -0.068 nan 8.300 nan 0.000 0.563 296 F N 2.195 121.952 119.950 -0.322 0.000 2.629 296 F HA -0.077 4.450 4.527 -0.000 0.000 0.377 296 F C 1.212 176.877 175.800 -0.225 0.000 1.101 296 F CA -0.069 57.699 58.000 -0.386 0.000 1.301 296 F CB 0.104 38.601 39.000 -0.839 0.000 1.062 296 F HN 0.109 nan 8.300 nan 0.000 0.583 297 N N 3.530 121.539 118.700 -1.152 0.000 2.725 297 N HA -0.303 4.437 4.740 -0.000 0.000 0.251 297 N C -0.044 175.164 175.510 -0.504 0.000 1.031 297 N CA 1.360 53.851 53.050 -0.931 0.000 0.720 297 N CB -0.971 36.845 38.487 -1.118 0.000 0.930 297 N HN 0.769 nan 8.380 nan 0.000 0.543 298 Q N -2.004 117.610 119.800 -0.310 0.000 2.480 298 Q HA -0.177 4.163 4.340 -0.000 0.000 0.265 298 Q C 1.215 177.105 176.000 -0.182 0.000 1.072 298 Q CA 2.236 57.937 55.803 -0.169 0.000 1.018 298 Q CB -1.844 26.798 28.738 -0.160 0.000 1.433 298 Q HN 1.232 nan 8.270 nan 0.000 0.513 299 G N -1.013 107.641 108.800 -0.244 0.000 2.168 299 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.263 299 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.263 299 G C 0.161 174.784 174.900 -0.462 0.000 0.977 299 G CA 0.457 45.384 45.100 -0.289 0.000 0.659 299 G HN 0.466 nan 8.290 nan 0.000 0.533 300 Q N 0.000 119.446 119.800 -0.591 0.000 3.170 300 Q HA 0.447 4.787 4.340 -0.000 0.000 0.346 300 Q C -0.093 175.304 176.000 -1.004 0.000 1.333 300 Q CA -0.102 55.028 55.803 -1.122 0.000 0.958 300 Q CB 0.196 28.586 28.738 -0.580 0.000 1.600 300 Q HN 0.445 nan 8.270 nan 0.000 0.482 301 C N -0.485 118.416 119.300 -0.665 0.000 2.441 301 C HA 0.201 4.661 4.460 -0.000 0.000 0.318 301 C C 1.997 177.110 174.990 0.205 0.000 1.222 301 C CA -1.207 57.800 59.018 -0.018 0.000 1.474 301 C CB 0.443 28.308 27.740 0.208 0.000 2.125 301 C HN 0.884 nan 8.230 nan 0.000 0.479 302 C N 0.167 119.719 119.300 0.420 0.000 2.413 302 C HA -0.104 4.356 4.460 -0.000 0.000 0.277 302 C C 2.125 177.324 174.990 0.349 0.000 1.265 302 C CA 1.498 60.775 59.018 0.432 0.000 1.752 302 C CB -2.139 25.816 27.740 0.357 0.000 1.998 302 C HN 0.943 nan 8.230 nan 0.000 0.489 303 C N 1.577 121.152 119.300 0.459 0.000 2.559 303 C HA 0.698 5.158 4.460 -0.000 0.000 0.300 303 C C 1.420 176.718 174.990 0.513 0.000 1.288 303 C CA -0.898 58.434 59.018 0.523 0.000 1.699 303 C CB -2.602 25.615 27.740 0.794 0.000 1.819 303 C HN 0.761 nan 8.230 nan 0.000 0.600 304 A N 1.193 124.209 122.820 0.327 0.000 2.567 304 A HA 0.433 4.753 4.320 -0.000 0.000 0.240 304 A C 1.163 178.839 177.584 0.154 0.000 1.053 304 A CA 0.830 52.978 52.037 0.185 0.000 0.755 304 A CB -0.136 18.872 19.000 0.013 0.000 0.978 304 A HN 1.117 nan 8.150 nan 0.000 0.507 305 G N 1.874 110.647 108.800 -0.045 0.000 3.008 305 G HA2 0.320 4.280 3.960 -0.000 0.000 0.272 305 G HA3 0.320 4.280 3.960 -0.000 0.000 0.272 305 G C 0.938 175.763 174.900 -0.126 0.000 0.764 305 G CA 0.387 45.411 45.100 -0.127 0.000 2.029 305 G HN 1.230 nan 8.290 nan 0.000 0.587 306 S N 0.762 116.435 115.700 -0.046 0.000 2.603 306 S HA 0.163 4.633 4.470 -0.000 0.000 0.220 306 S C 0.984 175.536 174.600 -0.079 0.000 0.967 306 S CA -0.249 57.901 58.200 -0.084 0.000 0.920 306 S CB 0.348 63.510 63.200 -0.063 0.000 0.773 306 S HN 0.407 nan 8.310 nan 0.000 0.529 307 R N 1.685 122.151 120.500 -0.057 0.000 2.607 307 R HA 0.254 4.594 4.340 -0.000 0.000 0.278 307 R C -1.239 174.958 176.300 -0.171 0.000 1.637 307 R CA -0.095 55.905 56.100 -0.166 0.000 1.325 307 R CB 1.242 31.476 30.300 -0.110 0.000 1.211 307 R HN 0.162 nan 8.270 nan 0.000 0.565 308 T N 3.670 118.124 114.554 -0.167 0.000 2.863 308 T HA 0.235 4.585 4.350 -0.000 0.000 0.299 308 T C -0.079 174.567 174.700 -0.090 0.000 0.973 308 T CA 0.053 62.114 62.100 -0.064 0.000 0.994 308 T CB -0.236 68.635 68.868 0.005 0.000 0.961 308 T HN 0.159 nan 8.240 nan 0.000 0.552 309 F N 2.556 122.558 119.950 0.087 0.000 2.424 309 F HA 0.428 4.954 4.527 -0.000 0.000 0.356 309 F C 0.387 176.360 175.800 0.287 0.000 1.110 309 F CA -0.704 57.417 58.000 0.201 0.000 1.161 309 F CB 0.838 39.872 39.000 0.057 0.000 1.115 309 F HN 0.181 nan 8.300 nan 0.000 0.507 310 V N 3.842 124.027 119.914 0.452 0.000 2.540 310 V HA 0.249 4.369 4.120 -0.000 0.000 0.302 310 V C -0.128 175.918 176.094 -0.081 0.000 1.035 310 V CA -1.118 61.255 62.300 0.122 0.000 0.873 310 V CB 1.552 33.266 31.823 -0.181 0.000 0.992 310 V HN 0.559 nan 8.190 nan 0.000 0.428 311 Q N 3.074 122.608 119.800 -0.443 0.000 2.330 311 Q HA 0.016 4.356 4.340 -0.000 0.000 0.279 311 Q C 1.455 177.260 176.000 -0.325 0.000 1.024 311 Q CA 0.383 55.674 55.803 -0.854 0.000 0.900 311 Q CB 1.117 29.497 28.738 -0.597 0.000 1.221 311 Q HN 1.023 nan 8.270 nan 0.000 0.396 312 E N 2.929 122.942 120.200 -0.312 0.000 2.147 312 E HA -0.282 4.068 4.350 -0.000 0.000 0.199 312 E C 0.310 176.896 176.600 -0.023 0.000 1.005 312 E CA 1.839 58.168 56.400 -0.119 0.000 0.810 312 E CB 0.003 29.623 29.700 -0.133 0.000 0.736 312 E HN 0.556 nan 8.360 nan 0.000 0.460 313 D N 1.026 121.396 120.400 -0.050 0.000 2.263 313 D HA -0.098 4.542 4.640 -0.000 0.000 0.208 313 D C 1.998 178.319 176.300 0.035 0.000 0.971 313 D CA 1.426 55.423 54.000 -0.004 0.000 0.867 313 D CB -0.071 40.719 40.800 -0.016 0.000 0.929 313 D HN 0.644 nan 8.370 nan 0.000 0.492 314 I N -3.714 116.882 120.570 0.043 0.000 4.154 314 I HA 0.181 4.351 4.170 -0.000 0.000 0.334 314 I C 1.778 177.975 176.117 0.133 0.000 1.371 314 I CA -0.560 60.790 61.300 0.083 0.000 1.110 314 I CB -0.082 37.962 38.000 0.073 0.000 1.085 314 I HN -0.250 nan 8.210 nan 0.000 0.398 315 Y N 2.921 123.230 120.300 0.014 0.000 2.081 315 Y HA -0.308 4.242 4.550 -0.000 0.000 0.280 315 Y C 2.113 178.083 175.900 0.116 0.000 1.163 315 Y CA 2.361 60.493 58.100 0.053 0.000 1.135 315 Y CB -0.107 38.358 38.460 0.009 0.000 0.970 315 Y HN 0.210 nan 8.280 nan 0.000 0.498 316 D N 0.049 120.581 120.400 0.219 0.000 2.092 316 D HA -0.239 4.401 4.640 -0.000 0.000 0.193 316 D C 2.096 178.413 176.300 0.029 0.000 0.994 316 D CA 1.858 55.930 54.000 0.119 0.000 0.828 316 D CB -0.525 40.358 40.800 0.139 0.000 0.963 316 D HN 0.623 nan 8.370 nan 0.000 0.450 317 E N -0.559 119.675 120.200 0.056 0.000 2.072 317 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 317 E C 2.098 178.708 176.600 0.016 0.000 0.985 317 E CA 0.447 56.867 56.400 0.034 0.000 0.801 317 E CB -0.194 29.538 29.700 0.054 0.000 0.750 317 E HN 0.206 nan 8.360 nan 0.000 0.452 318 F N 0.764 120.656 119.950 -0.096 0.000 2.075 318 F HA -0.217 4.310 4.527 -0.000 0.000 0.297 318 F C 2.119 177.820 175.800 -0.165 0.000 1.113 318 F CA 1.410 59.339 58.000 -0.118 0.000 1.218 318 F CB -0.339 38.588 39.000 -0.122 0.000 0.984 318 F HN -0.126 nan 8.300 nan 0.000 0.472 319 V N 0.480 120.348 119.914 -0.076 0.000 2.287 319 V HA -0.344 3.776 4.120 -0.000 0.000 0.248 319 V C 2.380 178.380 176.094 -0.156 0.000 1.053 319 V CA 2.371 64.566 62.300 -0.175 0.000 1.027 319 V CB -0.766 30.861 31.823 -0.326 0.000 0.646 319 V HN 0.433 nan 8.190 nan 0.000 0.447 320 E N -0.053 120.076 120.200 -0.118 0.000 2.058 320 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 320 E C 2.470 178.992 176.600 -0.131 0.000 0.997 320 E CA 1.630 57.975 56.400 -0.092 0.000 0.801 320 E CB -0.071 29.596 29.700 -0.056 0.000 0.746 320 E HN 0.516 nan 8.360 nan 0.000 0.450 321 R N -0.189 120.203 120.500 -0.180 0.000 2.115 321 R HA -0.040 4.300 4.340 -0.000 0.000 0.230 321 R C 2.605 178.743 176.300 -0.270 0.000 1.111 321 R CA 1.282 57.251 56.100 -0.217 0.000 0.976 321 R CB -0.093 30.061 30.300 -0.244 0.000 0.870 321 R HN 0.053 nan 8.270 nan 0.000 0.445 322 S N 0.234 115.724 115.700 -0.350 0.000 2.368 322 S HA -0.088 4.382 4.470 -0.000 0.000 0.224 322 S C 2.081 176.604 174.600 -0.128 0.000 1.029 322 S CA 1.107 59.139 58.200 -0.281 0.000 0.988 322 S CB -0.070 62.945 63.200 -0.307 0.000 0.838 322 S HN 0.065 nan 8.310 nan 0.000 0.462 323 V N 2.126 121.970 119.914 -0.116 0.000 2.295 323 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 323 V C 2.667 178.701 176.094 -0.099 0.000 1.049 323 V CA 1.720 63.972 62.300 -0.079 0.000 1.024 323 V CB -1.245 30.537 31.823 -0.068 0.000 0.648 323 V HN 0.535 nan 8.190 nan 0.000 0.447 324 A N 0.289 123.039 122.820 -0.117 0.000 1.908 324 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 324 A C 2.309 179.799 177.584 -0.156 0.000 1.181 324 A CA 2.356 54.321 52.037 -0.120 0.000 0.627 324 A CB -0.542 18.389 19.000 -0.115 0.000 0.818 324 A HN 0.461 nan 8.150 nan 0.000 0.445 325 R N 0.084 120.462 120.500 -0.203 0.000 2.075 325 R HA 0.042 4.382 4.340 -0.000 0.000 0.232 325 R C 2.167 178.268 176.300 -0.331 0.000 1.126 325 R CA 1.891 57.799 56.100 -0.320 0.000 0.963 325 R CB -0.983 29.061 30.300 -0.426 0.000 0.858 325 R HN 0.380 nan 8.270 nan 0.000 0.435 326 A N 0.723 123.431 122.820 -0.187 0.000 1.933 326 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 326 A C 1.989 179.465 177.584 -0.180 0.000 1.175 326 A CA 1.661 53.585 52.037 -0.190 0.000 0.628 326 A CB -0.413 18.515 19.000 -0.120 0.000 0.814 326 A HN 0.372 nan 8.150 nan 0.000 0.444 327 K N 0.279 120.597 120.400 -0.136 0.000 2.211 327 K HA -0.084 4.236 4.320 -0.000 0.000 0.203 327 K C 1.961 178.496 176.600 -0.109 0.000 1.050 327 K CA 1.439 57.661 56.287 -0.108 0.000 0.945 327 K CB -0.105 32.343 32.500 -0.087 0.000 0.732 327 K HN 0.666 nan 8.250 nan 0.000 0.451 328 S N 0.395 116.015 115.700 -0.134 0.000 2.575 328 S HA 0.024 4.494 4.470 -0.000 0.000 0.215 328 S C 0.766 175.294 174.600 -0.121 0.000 0.966 328 S CA -0.346 57.782 58.200 -0.120 0.000 0.911 328 S CB -0.021 63.105 63.200 -0.124 0.000 0.780 328 S HN 0.134 nan 8.310 nan 0.000 0.514 329 R N 2.184 122.598 120.500 -0.143 0.000 2.399 329 R HA 0.215 4.555 4.340 -0.000 0.000 0.324 329 R C -0.937 175.323 176.300 -0.067 0.000 1.030 329 R CA -0.143 55.892 56.100 -0.109 0.000 0.984 329 R CB 0.144 30.363 30.300 -0.135 0.000 0.961 329 R HN 0.150 nan 8.270 nan 0.000 0.433 330 V N 6.454 126.345 119.914 -0.039 0.000 2.446 330 V HA 0.042 4.161 4.120 -0.000 0.000 0.276 330 V C 0.199 176.293 176.094 -0.000 0.000 1.030 330 V CA -0.051 62.235 62.300 -0.023 0.000 1.033 330 V CB 0.987 32.801 31.823 -0.015 0.000 0.993 330 V HN 0.454 nan 8.190 nan 0.000 0.477 331 V N 5.225 125.137 119.914 -0.002 0.000 2.435 331 V HA 0.983 5.103 4.120 -0.000 0.000 0.290 331 V C 0.673 176.752 176.094 -0.025 0.000 1.030 331 V CA 0.561 62.887 62.300 0.043 0.000 0.881 331 V CB 0.988 32.855 31.823 0.074 0.000 0.983 331 V HN 1.110 nan 8.190 nan 0.000 0.445 332 G N 3.464 112.273 108.800 0.015 0.000 2.356 332 G HA2 0.129 4.088 3.960 -0.000 0.000 0.281 332 G HA3 0.129 4.088 3.960 -0.000 0.000 0.281 332 G C -0.999 173.920 174.900 0.031 0.000 1.246 332 G CA -0.809 44.203 45.100 -0.147 0.000 0.889 332 G HN 0.557 nan 8.290 nan 0.000 0.486 333 N N 2.081 120.771 118.700 -0.017 0.000 2.414 333 N HA 0.140 4.880 4.740 -0.000 0.000 0.268 333 N C -0.778 174.791 175.510 0.099 0.000 1.286 333 N CA -1.137 51.970 53.050 0.095 0.000 0.896 333 N CB 1.500 40.029 38.487 0.070 0.000 1.093 333 N HN 0.129 nan 8.380 nan 0.000 0.480 334 P HA -0.127 nan 4.420 nan 0.000 0.221 334 P C 0.856 178.066 177.300 -0.150 0.000 1.145 334 P CA 1.190 64.237 63.100 -0.087 0.000 0.795 334 P CB -0.043 31.527 31.700 -0.217 0.000 0.775 335 F N -0.305 119.679 119.950 0.056 0.000 2.780 335 F HA 0.079 4.606 4.527 -0.000 0.000 0.299 335 F C 1.247 177.055 175.800 0.014 0.000 1.146 335 F CA 0.005 58.014 58.000 0.015 0.000 1.428 335 F CB -0.149 38.813 39.000 -0.064 0.000 1.115 335 F HN -0.133 nan 8.300 nan 0.000 0.583 336 D N 0.028 120.525 120.400 0.161 0.000 2.277 336 D HA 0.012 4.652 4.640 -0.000 0.000 0.249 336 D C 1.266 177.623 176.300 0.094 0.000 1.134 336 D CA 0.179 54.240 54.000 0.101 0.000 0.863 336 D CB 1.514 42.349 40.800 0.059 0.000 1.143 336 D HN 0.101 nan 8.370 nan 0.000 0.458 337 S N 3.514 119.268 115.700 0.090 0.000 2.440 337 S HA -0.172 4.298 4.470 -0.000 0.000 0.238 337 S C 1.339 175.975 174.600 0.061 0.000 1.010 337 S CA 0.888 59.140 58.200 0.087 0.000 0.972 337 S CB -0.063 63.183 63.200 0.075 0.000 0.774 337 S HN 0.513 nan 8.310 nan 0.000 0.501 338 K N 0.828 121.255 120.400 0.044 0.000 2.365 338 K HA 0.108 4.428 4.320 -0.000 0.000 0.197 338 K C 0.092 176.710 176.600 0.030 0.000 1.042 338 K CA 0.388 56.693 56.287 0.029 0.000 0.987 338 K CB -0.104 32.404 32.500 0.013 0.000 0.779 338 K HN 0.278 nan 8.250 nan 0.000 0.484 339 T N 2.118 116.695 114.554 0.038 0.000 2.817 339 T HA 0.016 4.366 4.350 -0.000 0.000 0.295 339 T C 0.770 175.498 174.700 0.047 0.000 0.958 339 T CA 0.385 62.508 62.100 0.039 0.000 1.157 339 T CB 0.869 69.765 68.868 0.047 0.000 0.898 339 T HN 0.197 nan 8.240 nan 0.000 0.536 340 E N 1.827 122.054 120.200 0.045 0.000 2.307 340 E HA 0.058 4.408 4.350 -0.000 0.000 0.195 340 E C 0.792 177.423 176.600 0.051 0.000 0.975 340 E CA 0.168 56.606 56.400 0.062 0.000 0.878 340 E CB 0.596 30.335 29.700 0.065 0.000 0.845 340 E HN 0.561 nan 8.360 nan 0.000 0.488 341 Q N 0.253 120.081 119.800 0.047 0.000 2.285 341 Q HA 0.433 4.773 4.340 -0.000 0.000 0.269 341 Q C -0.679 175.375 176.000 0.090 0.000 1.030 341 Q CA -0.608 55.219 55.803 0.041 0.000 0.788 341 Q CB 1.821 30.590 28.738 0.052 0.000 1.266 341 Q HN 0.133 nan 8.270 nan 0.000 0.438 342 G N 2.993 111.809 108.800 0.027 0.000 2.606 342 G HA2 0.621 4.580 3.960 -0.000 0.000 0.262 342 G HA3 0.621 4.580 3.960 -0.000 0.000 0.262 342 G C -2.540 172.270 174.900 -0.150 0.000 1.394 342 G CA -1.016 44.109 45.100 0.041 0.000 1.044 342 G HN 0.557 nan 8.290 nan 0.000 0.553 343 P HA 0.211 nan 4.420 nan 0.000 0.279 343 P C -0.864 176.229 177.300 -0.345 0.000 1.276 343 P CA -0.397 62.183 63.100 -0.865 0.000 0.801 343 P CB 0.951 31.850 31.700 -1.335 0.000 1.127 344 Q N -0.126 119.559 119.800 -0.191 0.000 2.368 344 Q HA 0.076 4.416 4.340 -0.000 0.000 0.237 344 Q C 1.380 177.264 176.000 -0.194 0.000 0.987 344 Q CA -0.447 55.290 55.803 -0.110 0.000 0.896 344 Q CB 0.450 29.201 28.738 0.023 0.000 1.241 344 Q HN 0.193 nan 8.270 nan 0.000 0.485 345 V N 0.825 120.548 119.914 -0.319 0.000 2.324 345 V HA -0.249 3.871 4.120 -0.000 0.000 0.250 345 V C 0.426 176.254 176.094 -0.443 0.000 1.060 345 V CA 2.826 64.853 62.300 -0.455 0.000 1.042 345 V CB -0.082 31.171 31.823 -0.951 0.000 0.650 345 V HN 1.003 nan 8.190 nan 0.000 0.450 346 D N -3.533 116.518 120.400 -0.581 0.000 2.677 346 D HA 0.133 4.773 4.640 -0.000 0.000 0.298 346 D C 0.665 176.324 176.300 -1.068 0.000 1.250 346 D CA -0.027 53.517 54.000 -0.760 0.000 0.888 346 D CB 0.741 41.237 40.800 -0.506 0.000 1.397 346 D HN 0.028 nan 8.370 nan 0.000 0.461 347 E N -0.632 118.867 120.200 -1.167 0.000 2.077 347 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 347 E C 1.170 177.638 176.600 -0.219 0.000 0.989 347 E CA 1.793 57.760 56.400 -0.723 0.000 0.800 347 E CB -0.078 29.422 29.700 -0.333 0.000 0.746 347 E HN 0.519 nan 8.360 nan 0.000 0.452 348 T N 1.069 115.498 114.554 -0.208 0.000 2.684 348 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 348 T C 1.801 176.470 174.700 -0.052 0.000 1.036 348 T CA 1.211 63.254 62.100 -0.096 0.000 1.148 348 T CB -0.145 68.670 68.868 -0.089 0.000 0.863 348 T HN 0.161 nan 8.240 nan 0.000 0.436 349 Q N 0.072 119.812 119.800 -0.101 0.000 2.079 349 Q HA 0.002 4.342 4.340 -0.000 0.000 0.200 349 Q C 2.088 178.129 176.000 0.069 0.000 0.974 349 Q CA 1.060 56.860 55.803 -0.005 0.000 0.840 349 Q CB -0.703 27.980 28.738 -0.092 0.000 0.898 349 Q HN 0.558 nan 8.270 nan 0.000 0.430 350 F N 2.081 121.942 119.950 -0.150 0.000 2.091 350 F HA -0.249 4.277 4.527 -0.000 0.000 0.299 350 F C 1.976 177.777 175.800 0.001 0.000 1.103 350 F CA 1.708 59.671 58.000 -0.062 0.000 1.228 350 F CB -0.013 38.934 39.000 -0.088 0.000 0.984 350 F HN -0.024 nan 8.300 nan 0.000 0.477 351 K N 0.040 120.439 120.400 -0.002 0.000 2.097 351 K HA -0.185 4.135 4.320 -0.000 0.000 0.205 351 K C 2.214 178.762 176.600 -0.087 0.000 1.050 351 K CA 1.391 57.617 56.287 -0.102 0.000 0.938 351 K CB -0.294 32.203 32.500 -0.006 0.000 0.718 351 K HN 0.247 nan 8.250 nan 0.000 0.442 352 K N 1.464 121.852 120.400 -0.020 0.000 2.057 352 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 352 K C 2.028 178.679 176.600 0.086 0.000 1.049 352 K CA 1.249 57.538 56.287 0.003 0.000 0.931 352 K CB -0.070 32.486 32.500 0.093 0.000 0.714 352 K HN 0.045 nan 8.250 nan 0.000 0.440 353 I N 1.218 121.865 120.570 0.127 0.000 2.179 353 I HA -0.310 3.860 4.170 -0.000 0.000 0.242 353 I C 2.223 178.392 176.117 0.087 0.000 1.088 353 I CA 1.112 62.519 61.300 0.178 0.000 1.357 353 I CB -0.247 37.823 38.000 0.116 0.000 1.051 353 I HN 0.171 nan 8.210 nan 0.000 0.409 354 L N 0.460 121.635 121.223 -0.079 0.000 2.079 354 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 354 L C 2.672 179.519 176.870 -0.038 0.000 1.081 354 L CA 1.598 56.373 54.840 -0.109 0.000 0.752 354 L CB -1.218 40.679 42.059 -0.270 0.000 0.896 354 L HN 0.356 nan 8.230 nan 0.000 0.433 355 G N -1.197 107.562 108.800 -0.068 0.000 2.418 355 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 355 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 355 G C 1.391 176.241 174.900 -0.083 0.000 1.158 355 G CA 0.516 45.551 45.100 -0.108 0.000 0.771 355 G HN 0.305 nan 8.290 nan 0.000 0.545 356 Y N 0.445 120.747 120.300 0.004 0.000 2.242 356 Y HA 0.014 4.564 4.550 -0.000 0.000 0.291 356 Y C 2.758 178.672 175.900 0.024 0.000 1.137 356 Y CA 0.605 58.710 58.100 0.008 0.000 1.181 356 Y CB -0.013 38.461 38.460 0.024 0.000 0.989 356 Y HN 0.119 nan 8.280 nan 0.000 0.527 357 I N -0.145 120.571 120.570 0.243 0.000 2.226 357 I HA -0.323 3.847 4.170 -0.000 0.000 0.245 357 I C 2.154 178.414 176.117 0.238 0.000 1.100 357 I CA 1.581 63.069 61.300 0.314 0.000 1.374 357 I CB -0.397 37.754 38.000 0.251 0.000 1.057 357 I HN 0.271 nan 8.210 nan 0.000 0.413 358 N N 0.609 119.380 118.700 0.119 0.000 2.084 358 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 358 N C 1.725 177.261 175.510 0.044 0.000 1.030 358 N CA 2.082 55.175 53.050 0.071 0.000 0.849 358 N CB -0.087 38.411 38.487 0.019 0.000 1.012 358 N HN 0.140 nan 8.380 nan 0.000 0.423 359 T N -1.143 113.421 114.554 0.017 0.000 2.788 359 T HA -0.057 4.293 4.350 -0.000 0.000 0.268 359 T C 1.752 176.416 174.700 -0.060 0.000 1.044 359 T CA 1.305 63.398 62.100 -0.011 0.000 1.139 359 T CB -0.957 67.913 68.868 0.004 0.000 0.867 359 T HN 0.480 nan 8.240 nan 0.000 0.454 360 G N 1.690 110.404 108.800 -0.144 0.000 2.418 360 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 360 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 360 G C 1.605 176.348 174.900 -0.262 0.000 1.158 360 G CA 0.790 45.598 45.100 -0.487 0.000 0.771 360 G HN 0.442 nan 8.290 nan 0.000 0.545 361 K N 0.097 120.520 120.400 0.038 0.000 2.057 361 K HA -0.046 4.274 4.320 -0.000 0.000 0.206 361 K C 2.721 179.359 176.600 0.064 0.000 1.050 361 K CA 1.230 57.612 56.287 0.159 0.000 0.935 361 K CB -0.161 32.455 32.500 0.193 0.000 0.715 361 K HN 0.335 nan 8.250 nan 0.000 0.439 362 Q N 0.683 120.499 119.800 0.027 0.000 2.167 362 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 362 Q C 1.326 177.327 176.000 0.001 0.000 0.970 362 Q CA 1.130 56.941 55.803 0.014 0.000 0.855 362 Q CB 0.099 28.840 28.738 0.005 0.000 0.911 362 Q HN 0.395 nan 8.270 nan 0.000 0.438 363 E N -0.768 119.419 120.200 -0.022 0.000 2.502 363 E HA 0.032 4.382 4.350 -0.000 0.000 0.194 363 E C 0.629 177.220 176.600 -0.015 0.000 1.062 363 E CA 0.294 56.679 56.400 -0.025 0.000 0.867 363 E CB 0.398 30.070 29.700 -0.045 0.000 0.888 363 E HN 0.507 nan 8.360 nan 0.000 0.510 364 G N 0.972 109.773 108.800 0.001 0.000 2.144 364 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 364 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 364 G C 0.302 175.226 174.900 0.040 0.000 0.988 364 G CA -0.079 45.036 45.100 0.025 0.000 0.659 364 G HN 0.424 nan 8.290 nan 0.000 0.522 365 A N 0.112 122.940 122.820 0.015 0.000 2.425 365 A HA 0.617 4.937 4.320 -0.000 0.000 0.249 365 A C 0.637 178.374 177.584 0.255 0.000 1.084 365 A CA 0.491 52.567 52.037 0.065 0.000 0.781 365 A CB 0.442 19.335 19.000 -0.179 0.000 1.019 365 A HN 0.531 nan 8.150 nan 0.000 0.490 366 K N 2.455 123.019 120.400 0.273 0.000 2.292 366 K HA 0.264 4.584 4.320 -0.000 0.000 0.290 366 K C -0.728 176.030 176.600 0.264 0.000 1.083 366 K CA -0.470 55.960 56.287 0.238 0.000 0.918 366 K CB 0.120 32.719 32.500 0.164 0.000 1.089 366 K HN 0.581 nan 8.250 nan 0.000 0.473 367 L N 6.424 127.752 121.223 0.175 0.000 2.433 367 L HA 0.066 4.406 4.340 -0.000 0.000 0.275 367 L C 0.295 177.104 176.870 -0.102 0.000 1.128 367 L CA 0.593 55.349 54.840 -0.141 0.000 0.875 367 L CB 0.413 42.398 42.059 -0.123 0.000 1.171 367 L HN 0.797 nan 8.230 nan 0.000 0.463 368 L N 4.776 125.913 121.223 -0.144 0.000 2.408 368 L HA 0.206 4.546 4.340 -0.000 0.000 0.215 368 L C 0.464 177.283 176.870 -0.084 0.000 1.081 368 L CA 0.271 55.068 54.840 -0.071 0.000 0.840 368 L CB -0.026 42.014 42.059 -0.032 0.000 1.002 368 L HN 0.836 nan 8.230 nan 0.000 0.468 369 C N -3.276 115.948 119.300 -0.128 0.000 3.292 369 C HA 0.731 5.191 4.460 -0.000 0.000 0.338 369 C C 0.673 175.592 174.990 -0.117 0.000 1.323 369 C CA -0.641 58.318 59.018 -0.098 0.000 1.232 369 C CB 0.809 28.507 27.740 -0.071 0.000 1.517 369 C HN 0.625 nan 8.230 nan 0.000 0.470 370 G N 0.817 109.572 108.800 -0.077 0.000 2.566 370 G HA2 0.351 4.311 3.960 -0.000 0.000 0.280 370 G HA3 0.351 4.311 3.960 -0.000 0.000 0.280 370 G C 1.321 176.177 174.900 -0.074 0.000 1.225 370 G CA 2.352 47.418 45.100 -0.057 0.000 0.966 370 G HN 3.336 nan 8.290 nan 0.000 0.560 371 G N -2.260 106.504 108.800 -0.060 0.000 2.179 371 G HA2 0.430 4.390 3.960 -0.000 0.000 0.220 371 G HA3 0.430 4.390 3.960 -0.000 0.000 0.220 371 G C 1.427 176.330 174.900 0.004 0.000 0.990 371 G CA 0.990 46.062 45.100 -0.047 0.000 0.646 371 G HN 2.562 nan 8.290 nan 0.000 0.517 372 G N -0.957 107.852 108.800 0.014 0.000 2.975 372 G HA2 0.681 4.641 3.960 -0.000 0.000 0.291 372 G HA3 0.681 4.641 3.960 -0.000 0.000 0.291 372 G C -0.317 174.618 174.900 0.059 0.000 1.334 372 G CA -0.772 44.343 45.100 0.025 0.000 0.843 372 G HN 0.608 nan 8.290 nan 0.000 0.548 373 I N 1.177 121.799 120.570 0.087 0.000 2.634 373 I HA 0.269 4.439 4.170 -0.000 0.000 0.284 373 I C 1.435 177.648 176.117 0.159 0.000 1.124 373 I CA -0.082 61.331 61.300 0.189 0.000 1.417 373 I CB 1.724 39.874 38.000 0.250 0.000 1.396 373 I HN 0.548 nan 8.210 nan 0.000 0.571 374 A N 4.941 127.884 122.820 0.205 0.000 2.220 374 A HA 0.647 4.967 4.320 -0.000 0.000 0.211 374 A C 0.766 178.379 177.584 0.047 0.000 1.176 374 A CA 0.644 52.754 52.037 0.122 0.000 0.834 374 A CB 0.105 19.193 19.000 0.147 0.000 0.868 374 A HN 0.813 nan 8.150 nan 0.000 0.488 375 A N -1.106 121.765 122.820 0.085 0.000 2.610 375 A HA 0.537 4.857 4.320 -0.000 0.000 0.291 375 A C -0.533 177.072 177.584 0.034 0.000 1.086 375 A CA -0.187 51.835 52.037 -0.024 0.000 0.677 375 A CB 0.301 19.159 19.000 -0.238 0.000 1.278 375 A HN -0.050 nan 8.150 nan 0.000 0.414 376 D N 0.104 120.495 120.400 -0.015 0.000 2.183 376 D HA 0.010 4.650 4.640 -0.000 0.000 0.203 376 D C 0.634 176.919 176.300 -0.025 0.000 0.969 376 D CA 1.182 55.180 54.000 -0.003 0.000 0.842 376 D CB 0.235 41.022 40.800 -0.022 0.000 0.957 376 D HN 0.426 nan 8.370 nan 0.000 0.484 377 R N -0.421 120.051 120.500 -0.046 0.000 2.732 377 R HA 0.482 4.822 4.340 -0.000 0.000 0.278 377 R C 0.524 176.805 176.300 -0.031 0.000 0.976 377 R CA 0.033 56.088 56.100 -0.076 0.000 0.963 377 R CB 1.910 32.167 30.300 -0.071 0.000 1.150 377 R HN 0.130 nan 8.270 nan 0.000 0.478 378 G N 1.109 109.737 108.800 -0.288 0.000 2.645 378 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.239 378 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.239 378 G C -0.864 173.458 174.900 -0.963 0.000 1.331 378 G CA -0.201 44.551 45.100 -0.579 0.000 0.890 378 G HN 0.663 nan 8.290 nan 0.000 0.572 379 Y N -0.234 119.714 120.300 -0.588 0.000 2.525 379 Y HA 0.560 5.110 4.550 -0.000 0.000 0.365 379 Y C 0.310 175.941 175.900 -0.448 0.000 0.929 379 Y CA -0.764 56.825 58.100 -0.852 0.000 1.196 379 Y CB 0.241 38.278 38.460 -0.706 0.000 1.232 379 Y HN 0.346 nan 8.280 nan 0.000 0.613 380 F N 1.810 121.754 119.950 -0.010 0.000 2.404 380 F HA 0.511 5.038 4.527 -0.000 0.000 0.345 380 F C 0.227 176.196 175.800 0.281 0.000 1.110 380 F CA -0.838 57.234 58.000 0.120 0.000 1.130 380 F CB 0.724 39.740 39.000 0.028 0.000 1.129 380 F HN 0.040 nan 8.300 nan 0.000 0.500 381 I N 2.522 123.317 120.570 0.376 0.000 2.569 381 I HA 0.264 4.434 4.170 -0.000 0.000 0.296 381 I C -0.572 175.658 176.117 0.188 0.000 1.028 381 I CA -1.069 60.396 61.300 0.274 0.000 1.082 381 I CB 2.058 40.185 38.000 0.211 0.000 1.264 381 I HN 0.519 nan 8.210 nan 0.000 0.429 382 Q N 5.511 125.390 119.800 0.132 0.000 2.352 382 Q HA 0.211 4.551 4.340 -0.000 0.000 0.260 382 Q C -2.336 173.715 176.000 0.085 0.000 0.976 382 Q CA -1.581 54.271 55.803 0.081 0.000 0.881 382 Q CB 0.143 28.906 28.738 0.041 0.000 1.235 382 Q HN 0.252 nan 8.270 nan 0.000 0.419 383 P HA -0.021 nan 4.420 nan 0.000 0.265 383 P C -1.106 176.259 177.300 0.108 0.000 1.222 383 P CA 0.441 63.589 63.100 0.080 0.000 0.767 383 P CB 0.544 32.091 31.700 -0.255 0.000 0.801 384 T N 3.073 117.755 114.554 0.213 0.000 2.824 384 T HA 0.472 4.822 4.350 -0.000 0.000 0.280 384 T C -0.246 174.496 174.700 0.070 0.000 0.995 384 T CA -0.429 61.697 62.100 0.044 0.000 1.009 384 T CB 0.992 69.844 68.868 -0.026 0.000 0.955 384 T HN -0.052 nan 8.240 nan 0.000 0.452 385 V N 3.707 123.571 119.914 -0.084 0.000 2.531 385 V HA 0.519 4.639 4.120 -0.000 0.000 0.301 385 V C -1.070 174.924 176.094 -0.167 0.000 1.034 385 V CA -0.898 61.389 62.300 -0.022 0.000 0.865 385 V CB 1.349 33.202 31.823 0.050 0.000 0.995 385 V HN 0.831 nan 8.190 nan 0.000 0.424 386 F N 2.386 122.366 119.950 0.050 0.000 2.458 386 F HA 0.770 5.297 4.527 -0.000 0.000 0.336 386 F C 0.916 176.754 175.800 0.064 0.000 1.114 386 F CA -0.270 57.760 58.000 0.049 0.000 0.987 386 F CB 2.085 41.105 39.000 0.034 0.000 1.130 386 F HN 0.598 nan 8.300 nan 0.000 0.458 387 G N 0.676 109.644 108.800 0.280 0.000 2.509 387 G HA2 0.359 4.319 3.960 -0.000 0.000 0.328 387 G HA3 0.359 4.319 3.960 -0.000 0.000 0.328 387 G C -0.621 174.431 174.900 0.255 0.000 1.194 387 G CA -0.688 44.569 45.100 0.260 0.000 0.967 387 G HN 0.714 nan 8.290 nan 0.000 0.488 388 D N -1.079 119.493 120.400 0.287 0.000 2.708 388 D HA -0.163 4.476 4.640 -0.000 0.000 0.236 388 D C 0.521 176.877 176.300 0.093 0.000 1.146 388 D CA 0.646 54.732 54.000 0.144 0.000 0.662 388 D CB -1.268 39.593 40.800 0.102 0.000 1.059 388 D HN 0.191 nan 8.370 nan 0.000 0.428 389 V N 0.759 120.727 119.914 0.090 0.000 2.686 389 V HA 0.080 4.199 4.120 -0.000 0.000 0.295 389 V C 0.851 176.950 176.094 0.009 0.000 1.055 389 V CA -0.043 62.273 62.300 0.025 0.000 1.050 389 V CB 1.772 33.592 31.823 -0.006 0.000 0.984 389 V HN 0.057 nan 8.190 nan 0.000 0.482 390 Q N 1.912 121.713 119.800 0.002 0.000 2.257 390 Q HA 0.332 4.672 4.340 -0.000 0.000 0.262 390 Q C 0.447 176.459 176.000 0.020 0.000 0.997 390 Q CA -0.742 55.073 55.803 0.020 0.000 0.873 390 Q CB 1.532 30.282 28.738 0.021 0.000 1.312 390 Q HN 0.663 nan 8.270 nan 0.000 0.450 391 D N 1.277 121.710 120.400 0.056 0.000 2.149 391 D HA -0.130 4.510 4.640 -0.000 0.000 0.198 391 D C 1.486 177.813 176.300 0.046 0.000 0.990 391 D CA 1.685 55.728 54.000 0.072 0.000 0.839 391 D CB -0.085 40.783 40.800 0.113 0.000 0.948 391 D HN 0.830 nan 8.370 nan 0.000 0.460 392 G N -0.202 108.618 108.800 0.034 0.000 2.679 392 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.212 392 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.212 392 G C 0.768 175.675 174.900 0.013 0.000 1.137 392 G CA -0.137 44.978 45.100 0.024 0.000 0.787 392 G HN 0.172 nan 8.290 nan 0.000 0.534 393 M N 0.430 120.030 119.600 0.001 0.000 2.248 393 M HA 0.133 4.613 4.480 -0.000 0.000 0.337 393 M C 1.839 178.134 176.300 -0.009 0.000 1.121 393 M CA -0.090 55.198 55.300 -0.019 0.000 1.155 393 M CB 0.944 33.513 32.600 -0.052 0.000 1.514 393 M HN -0.069 nan 8.290 nan 0.000 0.452 394 T N 2.383 116.937 114.554 -0.000 0.000 2.708 394 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 394 T C 1.543 176.260 174.700 0.028 0.000 1.037 394 T CA 1.735 63.862 62.100 0.045 0.000 1.146 394 T CB -0.416 68.503 68.868 0.084 0.000 0.865 394 T HN 0.762 nan 8.240 nan 0.000 0.435 395 I N -0.233 120.316 120.570 -0.035 0.000 2.916 395 I HA 0.129 4.299 4.170 -0.000 0.000 0.267 395 I C 2.223 178.282 176.117 -0.097 0.000 1.263 395 I CA 0.930 62.168 61.300 -0.104 0.000 1.471 395 I CB -0.398 37.474 38.000 -0.213 0.000 1.089 395 I HN 0.086 nan 8.210 nan 0.000 0.468 396 A N 1.012 123.796 122.820 -0.059 0.000 2.220 396 A HA 0.184 4.504 4.320 -0.000 0.000 0.211 396 A C 2.163 179.754 177.584 0.011 0.000 1.176 396 A CA 0.201 52.214 52.037 -0.040 0.000 0.834 396 A CB -0.036 18.943 19.000 -0.034 0.000 0.868 396 A HN 0.439 nan 8.150 nan 0.000 0.488 397 K N -0.306 120.109 120.400 0.026 0.000 2.367 397 K HA 0.161 4.481 4.320 -0.000 0.000 0.198 397 K C -0.180 176.486 176.600 0.110 0.000 1.132 397 K CA 0.231 56.561 56.287 0.071 0.000 0.941 397 K CB 0.563 33.098 32.500 0.059 0.000 1.052 397 K HN 0.401 nan 8.250 nan 0.000 0.507 398 E N 2.010 122.247 120.200 0.063 0.000 2.231 398 E HA 0.090 4.440 4.350 -0.000 0.000 0.277 398 E C -0.991 175.556 176.600 -0.088 0.000 0.999 398 E CA -0.352 56.089 56.400 0.068 0.000 0.827 398 E CB 1.708 31.491 29.700 0.137 0.000 1.101 398 E HN 0.072 nan 8.360 nan 0.000 0.393 399 E N 3.028 123.224 120.200 -0.007 0.000 2.328 399 E HA -0.031 4.319 4.350 -0.000 0.000 0.265 399 E C 0.226 176.693 176.600 -0.222 0.000 1.057 399 E CA 0.070 56.416 56.400 -0.090 0.000 0.916 399 E CB 0.416 30.065 29.700 -0.085 0.000 0.993 399 E HN 0.532 nan 8.360 nan 0.000 0.446 400 I N 4.436 124.848 120.570 -0.264 0.000 2.585 400 I HA -0.044 4.126 4.170 -0.000 0.000 0.254 400 I C 0.441 176.621 176.117 0.105 0.000 1.129 400 I CA -0.009 61.086 61.300 -0.341 0.000 1.455 400 I CB 0.134 37.938 38.000 -0.327 0.000 1.111 400 I HN 0.682 nan 8.210 nan 0.000 0.433 401 F N 1.654 121.556 119.950 -0.080 0.000 3.080 401 F HA -0.177 4.350 4.527 -0.000 0.000 0.292 401 F C 0.422 176.242 175.800 0.035 0.000 0.891 401 F CA 0.614 58.617 58.000 0.005 0.000 1.086 401 F CB -1.374 37.679 39.000 0.089 0.000 1.095 401 F HN 0.152 nan 8.300 nan 0.000 0.633 402 G N -0.600 108.217 108.800 0.028 0.000 2.788 402 G HA2 0.650 4.609 3.960 -0.000 0.000 0.293 402 G HA3 0.650 4.609 3.960 -0.000 0.000 0.293 402 G C -2.996 171.868 174.900 -0.060 0.000 1.392 402 G CA -0.690 44.415 45.100 0.009 0.000 0.810 402 G HN -0.133 nan 8.290 nan 0.000 0.508 403 P HA 0.284 nan 4.420 nan 0.000 0.226 403 P C -0.669 176.666 177.300 0.059 0.000 1.783 403 P CA -0.062 63.075 63.100 0.062 0.000 0.980 403 P CB 0.223 32.088 31.700 0.275 0.000 1.967 404 V N 3.271 123.116 119.914 -0.116 0.000 2.419 404 V HA 0.337 4.457 4.120 -0.000 0.000 0.287 404 V C 0.232 176.250 176.094 -0.127 0.000 1.017 404 V CA -0.629 61.665 62.300 -0.011 0.000 0.844 404 V CB 1.965 33.850 31.823 0.103 0.000 1.011 404 V HN 0.319 nan 8.190 nan 0.000 0.429 405 M N 3.989 123.521 119.600 -0.114 0.000 2.264 405 M HA 0.596 5.076 4.480 -0.000 0.000 0.352 405 M C -0.790 175.542 176.300 0.053 0.000 1.173 405 M CA -0.313 54.908 55.300 -0.131 0.000 1.075 405 M CB 1.478 33.993 32.600 -0.142 0.000 1.621 405 M HN 0.632 nan 8.290 nan 0.000 0.457 406 Q N 4.898 124.700 119.800 0.002 0.000 2.322 406 Q HA 0.598 4.938 4.340 -0.000 0.000 0.265 406 Q C -1.309 174.693 176.000 0.005 0.000 0.985 406 Q CA 0.011 55.833 55.803 0.032 0.000 0.849 406 Q CB 1.938 30.649 28.738 -0.045 0.000 1.274 406 Q HN 0.704 nan 8.270 nan 0.000 0.449 407 I N 3.998 124.612 120.570 0.074 0.000 2.389 407 I HA 0.399 4.569 4.170 -0.000 0.000 0.288 407 I C -1.042 175.164 176.117 0.147 0.000 0.999 407 I CA -0.876 60.484 61.300 0.099 0.000 1.129 407 I CB 0.953 39.037 38.000 0.141 0.000 1.288 407 I HN 0.324 nan 8.210 nan 0.000 0.444 408 L N 6.435 127.693 121.223 0.058 0.000 2.333 408 L HA 0.543 4.883 4.340 -0.000 0.000 0.269 408 L C -0.146 176.888 176.870 0.272 0.000 1.010 408 L CA -0.515 54.367 54.840 0.070 0.000 0.818 408 L CB 1.513 43.430 42.059 -0.238 0.000 1.306 408 L HN 0.449 nan 8.230 nan 0.000 0.430 409 K N 1.899 122.405 120.400 0.178 0.000 2.164 409 K HA 0.715 5.035 4.320 -0.000 0.000 0.258 409 K C -1.440 175.316 176.600 0.260 0.000 0.951 409 K CA -0.460 55.886 56.287 0.098 0.000 0.844 409 K CB 1.284 33.549 32.500 -0.391 0.000 1.099 409 K HN 0.537 nan 8.250 nan 0.000 0.435 410 F N 1.006 121.023 119.950 0.111 0.000 2.643 410 F HA 0.452 4.979 4.527 -0.000 0.000 0.314 410 F C 0.160 175.989 175.800 0.048 0.000 1.096 410 F CA -0.932 57.125 58.000 0.095 0.000 0.953 410 F CB 1.570 40.648 39.000 0.131 0.000 1.345 410 F HN 0.527 nan 8.300 nan 0.000 0.468 411 K N -0.042 120.423 120.400 0.108 0.000 2.266 411 K HA 0.216 4.536 4.320 -0.000 0.000 0.209 411 K C 0.219 176.870 176.600 0.085 0.000 1.065 411 K CA 1.020 57.292 56.287 -0.024 0.000 0.946 411 K CB 0.264 32.776 32.500 0.020 0.000 1.069 411 K HN 0.902 nan 8.250 nan 0.000 0.472 412 T N -1.933 112.773 114.554 0.252 0.000 2.945 412 T HA 0.265 4.615 4.350 -0.000 0.000 0.286 412 T C 1.164 176.029 174.700 0.274 0.000 1.025 412 T CA -0.844 61.381 62.100 0.207 0.000 1.039 412 T CB 1.489 70.413 68.868 0.094 0.000 1.068 412 T HN 0.194 nan 8.240 nan 0.000 0.497 413 I N 0.415 121.068 120.570 0.138 0.000 2.315 413 I HA -0.098 4.072 4.170 -0.000 0.000 0.248 413 I C 2.112 178.234 176.117 0.010 0.000 1.117 413 I CA 1.478 62.800 61.300 0.037 0.000 1.404 413 I CB -0.026 37.903 38.000 -0.119 0.000 1.071 413 I HN 0.770 nan 8.210 nan 0.000 0.419 414 E N 0.605 120.820 120.200 0.025 0.000 2.106 414 E HA -0.272 4.078 4.350 -0.000 0.000 0.192 414 E C 1.964 178.579 176.600 0.025 0.000 0.984 414 E CA 1.305 57.750 56.400 0.075 0.000 0.806 414 E CB -0.214 29.526 29.700 0.067 0.000 0.750 414 E HN 0.531 nan 8.360 nan 0.000 0.458 415 E N 0.519 120.731 120.200 0.020 0.000 2.047 415 E HA -0.170 4.179 4.350 -0.000 0.000 0.191 415 E C 2.101 178.621 176.600 -0.133 0.000 0.987 415 E CA 1.141 57.540 56.400 -0.002 0.000 0.799 415 E CB -0.044 29.705 29.700 0.082 0.000 0.752 415 E HN 0.173 nan 8.360 nan 0.000 0.449 416 V N 0.518 120.256 119.914 -0.294 0.000 2.490 416 V HA -0.186 3.934 4.120 -0.000 0.000 0.250 416 V C 2.314 178.088 176.094 -0.533 0.000 1.061 416 V CA 1.329 63.205 62.300 -0.707 0.000 1.064 416 V CB 0.024 30.991 31.823 -1.426 0.000 0.670 416 V HN 0.218 nan 8.190 nan 0.000 0.461 417 V N 0.671 120.424 119.914 -0.268 0.000 2.295 417 V HA -0.171 3.949 4.120 -0.000 0.000 0.246 417 V C 2.654 178.656 176.094 -0.154 0.000 1.049 417 V CA 2.256 64.460 62.300 -0.162 0.000 1.024 417 V CB -1.344 30.467 31.823 -0.019 0.000 0.648 417 V HN 0.635 nan 8.190 nan 0.000 0.447 418 G N -0.515 108.214 108.800 -0.118 0.000 2.402 418 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 418 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 418 G C 1.751 176.596 174.900 -0.090 0.000 1.162 418 G CA 0.585 45.638 45.100 -0.078 0.000 0.777 418 G HN 0.439 nan 8.290 nan 0.000 0.539 419 R N 0.465 120.873 120.500 -0.154 0.000 2.075 419 R HA 0.120 4.460 4.340 -0.000 0.000 0.232 419 R C 3.024 179.253 176.300 -0.118 0.000 1.126 419 R CA 1.024 57.059 56.100 -0.109 0.000 0.963 419 R CB -0.346 29.886 30.300 -0.113 0.000 0.858 419 R HN 0.329 nan 8.270 nan 0.000 0.435 420 A N 1.667 124.277 122.820 -0.350 0.000 1.902 420 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 420 A C 1.672 179.238 177.584 -0.030 0.000 1.181 420 A CA 1.552 53.465 52.037 -0.206 0.000 0.623 420 A CB -0.390 18.421 19.000 -0.315 0.000 0.818 420 A HN 0.227 nan 8.150 nan 0.000 0.443 421 N N 0.206 118.871 118.700 -0.058 0.000 2.457 421 N HA -0.066 4.674 4.740 -0.000 0.000 0.180 421 N C 0.358 175.876 175.510 0.014 0.000 1.050 421 N CA 0.421 53.462 53.050 -0.015 0.000 0.906 421 N CB -0.496 37.972 38.487 -0.031 0.000 0.968 421 N HN 0.425 nan 8.380 nan 0.000 0.445 422 N N 0.957 119.668 118.700 0.019 0.000 2.819 422 N HA 0.033 4.773 4.740 -0.000 0.000 0.284 422 N C -1.287 174.257 175.510 0.056 0.000 1.196 422 N CA 0.089 53.158 53.050 0.032 0.000 1.114 422 N CB -0.224 38.283 38.487 0.032 0.000 1.437 422 N HN -0.083 nan 8.380 nan 0.000 0.518 423 S N 0.109 115.840 115.700 0.052 0.000 2.550 423 S HA 0.335 4.805 4.470 -0.000 0.000 0.270 423 S C 0.738 175.348 174.600 0.018 0.000 1.145 423 S CA -0.590 57.648 58.200 0.064 0.000 0.852 423 S CB 0.777 64.060 63.200 0.137 0.000 1.119 423 S HN 0.277 nan 8.310 nan 0.000 0.465 424 T N 2.133 116.648 114.554 -0.065 0.000 3.043 424 T HA 0.179 4.529 4.350 -0.000 0.000 0.263 424 T C 0.026 174.637 174.700 -0.147 0.000 1.094 424 T CA 1.089 63.090 62.100 -0.164 0.000 1.127 424 T CB -0.307 68.373 68.868 -0.313 0.000 0.905 424 T HN 0.553 nan 8.240 nan 0.000 0.490 425 Y N -0.125 120.198 120.300 0.039 0.000 2.392 425 Y HA 0.558 5.108 4.550 -0.000 0.000 0.323 425 Y C 1.284 177.208 175.900 0.041 0.000 1.291 425 Y CA -0.882 57.243 58.100 0.042 0.000 1.345 425 Y CB 1.290 39.780 38.460 0.050 0.000 1.320 425 Y HN -0.007 nan 8.280 nan 0.000 0.518 426 G N 0.728 109.665 108.800 0.228 0.000 5.569 426 G HA2 0.095 4.055 3.960 -0.000 0.000 0.192 426 G HA3 0.095 4.055 3.960 -0.000 0.000 0.192 426 G C -0.178 174.712 174.900 -0.018 0.000 0.708 426 G CA -0.264 44.890 45.100 0.090 0.000 0.628 426 G HN 0.522 nan 8.290 nan 0.000 0.345 427 L N 0.638 121.858 121.223 -0.005 0.000 2.049 427 L HA 0.739 5.079 4.340 -0.000 0.000 0.203 427 L C 1.174 177.946 176.870 -0.163 0.000 1.074 427 L CA 2.383 57.166 54.840 -0.094 0.000 0.749 427 L CB -0.108 41.939 42.059 -0.021 0.000 0.907 427 L HN 0.471 nan 8.230 nan 0.000 0.439 428 A N -2.199 120.584 122.820 -0.061 0.000 2.567 428 A HA 0.910 5.230 4.320 -0.000 0.000 0.289 428 A C -1.449 176.128 177.584 -0.012 0.000 1.177 428 A CA -0.108 51.853 52.037 -0.127 0.000 0.694 428 A CB 0.871 19.851 19.000 -0.033 0.000 1.292 428 A HN 0.598 nan 8.150 nan 0.000 0.425 429 A N -1.520 121.287 122.820 -0.021 0.000 2.567 429 A HA 0.938 5.258 4.320 -0.000 0.000 0.291 429 A C -0.709 177.008 177.584 0.222 0.000 1.048 429 A CA 0.165 52.288 52.037 0.144 0.000 0.661 429 A CB 0.393 19.412 19.000 0.032 0.000 1.288 429 A HN 2.652 nan 8.150 nan 0.000 0.424 430 A N -0.225 122.828 122.820 0.388 0.000 2.556 430 A HA 0.857 5.176 4.320 -0.000 0.000 0.294 430 A C -1.431 176.367 177.584 0.356 0.000 1.091 430 A CA -0.549 51.753 52.037 0.442 0.000 0.704 430 A CB 1.695 21.189 19.000 0.822 0.000 1.300 430 A HN 1.834 nan 8.150 nan 0.000 0.406 431 V N 0.876 120.939 119.914 0.248 0.000 2.623 431 V HA 0.505 4.625 4.120 -0.000 0.000 0.304 431 V C -1.657 174.496 176.094 0.098 0.000 1.054 431 V CA -0.216 62.212 62.300 0.213 0.000 0.882 431 V CB 1.425 33.315 31.823 0.111 0.000 1.002 431 V HN 0.709 nan 8.190 nan 0.000 0.424 432 F N 2.845 122.908 119.950 0.188 0.000 2.375 432 F HA 0.780 5.307 4.527 -0.000 0.000 0.361 432 F C 0.369 176.271 175.800 0.170 0.000 1.117 432 F CA -0.182 57.939 58.000 0.202 0.000 1.037 432 F CB 2.034 41.163 39.000 0.215 0.000 1.192 432 F HN 0.519 nan 8.300 nan 0.000 0.452 433 T N 2.063 116.748 114.554 0.217 0.000 2.827 433 T HA 0.282 4.632 4.350 -0.000 0.000 0.328 433 T C 0.071 174.841 174.700 0.115 0.000 1.598 433 T CA -0.682 61.519 62.100 0.167 0.000 1.043 433 T CB 1.480 70.427 68.868 0.132 0.000 1.447 433 T HN 0.642 nan 8.240 nan 0.000 0.491 434 K N 0.713 121.172 120.400 0.098 0.000 2.353 434 K HA 0.184 4.503 4.320 -0.000 0.000 0.195 434 K C -0.209 176.419 176.600 0.047 0.000 1.031 434 K CA -0.079 56.247 56.287 0.066 0.000 1.079 434 K CB 0.278 32.815 32.500 0.062 0.000 0.857 434 K HN 0.504 nan 8.250 nan 0.000 0.535 435 D N 0.973 121.404 120.400 0.052 0.000 2.312 435 D HA 0.014 4.654 4.640 -0.000 0.000 0.252 435 D C 0.874 177.196 176.300 0.037 0.000 1.150 435 D CA -0.276 53.748 54.000 0.039 0.000 0.870 435 D CB 1.073 41.895 40.800 0.037 0.000 1.153 435 D HN -0.165 nan 8.370 nan 0.000 0.457 436 L N 4.142 125.383 121.223 0.029 0.000 1.989 436 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 436 L C 1.266 178.160 176.870 0.040 0.000 1.071 436 L CA 1.968 56.825 54.840 0.029 0.000 0.749 436 L CB -0.484 41.589 42.059 0.023 0.000 0.890 436 L HN 0.508 nan 8.230 nan 0.000 0.431 437 D N -0.374 120.050 120.400 0.039 0.000 2.144 437 D HA -0.170 4.470 4.640 -0.000 0.000 0.199 437 D C 2.200 178.545 176.300 0.077 0.000 0.984 437 D CA 1.292 55.324 54.000 0.054 0.000 0.834 437 D CB -0.072 40.750 40.800 0.037 0.000 0.955 437 D HN 0.407 nan 8.370 nan 0.000 0.465 438 K N 0.538 120.967 120.400 0.048 0.000 2.057 438 K HA -0.034 4.286 4.320 -0.000 0.000 0.207 438 K C 2.127 178.792 176.600 0.109 0.000 1.049 438 K CA 1.111 57.431 56.287 0.055 0.000 0.931 438 K CB -0.070 32.451 32.500 0.036 0.000 0.714 438 K HN 0.026 nan 8.250 nan 0.000 0.440 439 A N 1.982 124.850 122.820 0.080 0.000 1.902 439 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 439 A C 1.818 179.443 177.584 0.068 0.000 1.181 439 A CA 1.664 53.741 52.037 0.067 0.000 0.623 439 A CB -0.434 18.589 19.000 0.039 0.000 0.818 439 A HN 0.224 nan 8.150 nan 0.000 0.443 440 N N -1.639 117.106 118.700 0.074 0.000 2.216 440 N HA -0.123 4.617 4.740 -0.000 0.000 0.183 440 N C 1.578 177.136 175.510 0.080 0.000 1.017 440 N CA 1.519 54.605 53.050 0.059 0.000 0.861 440 N CB -0.585 37.932 38.487 0.050 0.000 0.986 440 N HN 0.701 nan 8.380 nan 0.000 0.428 441 Y N 1.609 121.905 120.300 -0.006 0.000 2.145 441 Y HA -0.101 4.449 4.550 -0.000 0.000 0.286 441 Y C 2.158 178.045 175.900 -0.020 0.000 1.145 441 Y CA 1.441 59.536 58.100 -0.009 0.000 1.148 441 Y CB -0.292 38.167 38.460 -0.002 0.000 0.981 441 Y HN -0.054 nan 8.280 nan 0.000 0.507 442 L N -0.252 121.115 121.223 0.240 0.000 2.044 442 L HA -0.196 4.144 4.340 -0.000 0.000 0.205 442 L C 2.795 179.655 176.870 -0.018 0.000 1.075 442 L CA 1.450 56.355 54.840 0.109 0.000 0.747 442 L CB -0.892 41.247 42.059 0.132 0.000 0.903 442 L HN 0.361 nan 8.230 nan 0.000 0.435 443 S N -0.630 115.063 115.700 -0.012 0.000 2.383 443 S HA -0.328 4.141 4.470 -0.000 0.000 0.229 443 S C 1.910 176.458 174.600 -0.088 0.000 1.030 443 S CA 1.642 59.809 58.200 -0.056 0.000 1.002 443 S CB -0.474 62.698 63.200 -0.047 0.000 0.829 443 S HN 0.520 nan 8.310 nan 0.000 0.467 444 Q N 1.251 120.995 119.800 -0.092 0.000 2.083 444 Q HA 0.082 4.422 4.340 -0.000 0.000 0.198 444 Q C 2.268 178.185 176.000 -0.139 0.000 0.969 444 Q CA 1.131 56.869 55.803 -0.109 0.000 0.838 444 Q CB -0.508 28.161 28.738 -0.115 0.000 0.900 444 Q HN 0.694 nan 8.270 nan 0.000 0.436 445 A N 0.684 123.381 122.820 -0.205 0.000 1.968 445 A HA 0.069 4.388 4.320 -0.000 0.000 0.217 445 A C 0.928 178.430 177.584 -0.136 0.000 1.169 445 A CA 0.210 52.116 52.037 -0.219 0.000 0.638 445 A CB -0.374 18.401 19.000 -0.375 0.000 0.812 445 A HN 0.373 nan 8.150 nan 0.000 0.446 446 L N 0.968 122.118 121.223 -0.121 0.000 2.462 446 L HA 0.053 4.393 4.340 -0.000 0.000 0.272 446 L C 0.128 176.921 176.870 -0.128 0.000 1.166 446 L CA -0.109 54.664 54.840 -0.112 0.000 0.880 446 L CB 0.484 42.478 42.059 -0.108 0.000 1.142 446 L HN 0.382 nan 8.230 nan 0.000 0.473 447 Q N 3.881 123.628 119.800 -0.089 0.000 2.844 447 Q HA 0.504 4.844 4.340 -0.000 0.000 0.235 447 Q C -0.332 175.520 176.000 -0.246 0.000 1.336 447 Q CA -0.267 55.510 55.803 -0.043 0.000 1.026 447 Q CB 0.666 29.456 28.738 0.086 0.000 1.513 447 Q HN 0.701 nan 8.270 nan 0.000 0.577 448 A N -0.241 122.187 122.820 -0.653 0.000 2.556 448 A HA 0.691 5.011 4.320 -0.000 0.000 0.294 448 A C 0.823 177.670 177.584 -1.227 0.000 1.091 448 A CA -0.436 51.149 52.037 -0.754 0.000 0.704 448 A CB 1.153 19.927 19.000 -0.376 0.000 1.300 448 A HN 0.522 nan 8.150 nan 0.000 0.406 449 G N -0.345 107.919 108.800 -0.893 0.000 2.448 449 G HA2 0.329 4.289 3.960 -0.000 0.000 0.218 449 G HA3 0.329 4.289 3.960 -0.000 0.000 0.218 449 G C 0.438 175.041 174.900 -0.495 0.000 1.135 449 G CA 1.576 46.303 45.100 -0.621 0.000 0.784 449 G HN 0.828 nan 8.290 nan 0.000 0.543 450 T N -0.316 113.916 114.554 -0.537 0.000 2.921 450 T HA 0.511 4.861 4.350 -0.000 0.000 0.297 450 T C -1.217 173.066 174.700 -0.694 0.000 1.013 450 T CA -0.380 61.334 62.100 -0.643 0.000 0.990 450 T CB 2.760 71.131 68.868 -0.827 0.000 1.023 450 T HN -0.116 nan 8.240 nan 0.000 0.447 451 V N 3.643 123.194 119.914 -0.606 0.000 2.443 451 V HA 0.456 4.576 4.120 -0.000 0.000 0.293 451 V C -0.797 175.086 176.094 -0.351 0.000 1.021 451 V CA -1.003 61.059 62.300 -0.395 0.000 0.848 451 V CB 1.435 33.123 31.823 -0.225 0.000 0.998 451 V HN 0.771 nan 8.190 nan 0.000 0.424 452 W N 3.477 124.676 121.300 -0.168 0.000 2.438 452 W HA 0.658 5.317 4.660 -0.000 0.000 0.324 452 W C -0.584 175.845 176.519 -0.149 0.000 1.119 452 W CA -0.693 56.545 57.345 -0.178 0.000 1.221 452 W CB 1.962 31.274 29.460 -0.246 0.000 1.253 452 W HN 0.267 nan 8.180 nan 0.000 0.555 453 V N 4.644 124.596 119.914 0.063 0.000 2.376 453 V HA 0.131 4.251 4.120 -0.000 0.000 0.287 453 V C 0.124 176.097 176.094 -0.201 0.000 1.015 453 V CA -0.915 61.336 62.300 -0.081 0.000 0.834 453 V CB 0.991 32.792 31.823 -0.036 0.000 1.001 453 V HN 0.684 nan 8.190 nan 0.000 0.428 454 N N 2.090 120.424 118.700 -0.609 0.000 2.747 454 N HA -0.170 4.570 4.740 -0.000 0.000 0.249 454 N C -0.277 175.128 175.510 -0.175 0.000 1.107 454 N CA 1.260 53.891 53.050 -0.698 0.000 0.707 454 N CB -1.136 37.287 38.487 -0.107 0.000 1.054 454 N HN 1.061 nan 8.380 nan 0.000 0.555 455 C N -4.055 115.075 119.300 -0.283 0.000 3.259 455 C HA 0.808 5.268 4.460 -0.000 0.000 0.344 455 C C -1.133 173.898 174.990 0.068 0.000 1.401 455 C CA -1.305 57.786 59.018 0.123 0.000 1.219 455 C CB 1.810 29.603 27.740 0.088 0.000 1.521 455 C HN 0.271 nan 8.230 nan 0.000 0.455 456 Y N -0.124 119.976 120.300 -0.333 0.000 2.592 456 Y HA 0.464 5.014 4.550 -0.000 0.000 0.334 456 Y C -0.266 174.996 175.900 -1.064 0.000 1.136 456 Y CA 0.422 58.071 58.100 -0.753 0.000 1.042 456 Y CB 1.359 39.723 38.460 -0.160 0.000 1.325 456 Y HN 1.025 nan 8.280 nan 0.000 0.457 457 D N 1.624 120.826 120.400 -1.996 0.000 2.811 457 D HA -0.140 4.500 4.640 -0.000 0.000 0.231 457 D C -0.873 174.983 176.300 -0.739 0.000 1.157 457 D CA 0.997 54.389 54.000 -1.012 0.000 0.716 457 D CB -1.090 39.710 40.800 -0.001 0.000 1.077 457 D HN 0.157 nan 8.370 nan 0.000 0.428 458 V N 1.300 120.597 119.914 -1.029 0.000 2.356 458 V HA 0.289 4.409 4.120 -0.000 0.000 0.258 458 V C 0.507 176.474 176.094 -0.211 0.000 1.065 458 V CA -0.111 61.984 62.300 -0.342 0.000 0.935 458 V CB -0.127 31.586 31.823 -0.183 0.000 1.061 458 V HN -0.020 nan 8.190 nan 0.000 0.484 459 F N 2.405 122.395 119.950 0.067 0.000 2.492 459 F HA 0.841 5.368 4.527 -0.000 0.000 0.327 459 F C 0.756 176.559 175.800 0.005 0.000 1.079 459 F CA -0.538 57.490 58.000 0.046 0.000 0.967 459 F CB 2.259 41.262 39.000 0.005 0.000 1.169 459 F HN 0.506 nan 8.300 nan 0.000 0.472 460 G N 0.029 108.914 108.800 0.142 0.000 2.701 460 G HA2 0.509 4.469 3.960 -0.000 0.000 0.300 460 G HA3 0.509 4.469 3.960 -0.000 0.000 0.300 460 G C 0.037 174.868 174.900 -0.114 0.000 1.410 460 G CA -0.346 44.763 45.100 0.014 0.000 1.014 460 G HN 0.875 nan 8.290 nan 0.000 0.509 461 A N 1.040 123.727 122.820 -0.223 0.000 2.076 461 A HA -0.082 4.238 4.320 -0.000 0.000 0.220 461 A C 2.145 179.133 177.584 -0.994 0.000 1.160 461 A CA 2.025 53.756 52.037 -0.510 0.000 0.653 461 A CB -0.151 18.553 19.000 -0.494 0.000 0.801 461 A HN 0.590 nan 8.150 nan 0.000 0.455 462 Q N 0.018 119.381 119.800 -0.728 0.000 2.187 462 Q HA 0.117 4.456 4.340 -0.000 0.000 0.199 462 Q C 0.666 176.594 176.000 -0.119 0.000 0.957 462 Q CA 0.849 56.366 55.803 -0.476 0.000 0.857 462 Q CB -0.095 28.561 28.738 -0.138 0.000 0.929 462 Q HN 0.458 nan 8.270 nan 0.000 0.453 463 S N 2.460 118.107 115.700 -0.089 0.000 2.499 463 S HA 0.324 4.794 4.470 -0.000 0.000 0.279 463 S C -2.389 172.218 174.600 0.011 0.000 1.219 463 S CA -1.319 56.882 58.200 0.002 0.000 1.062 463 S CB 0.919 64.116 63.200 -0.006 0.000 0.978 463 S HN 0.087 nan 8.310 nan 0.000 0.489 464 P HA 0.244 nan 4.420 nan 0.000 0.272 464 P C -0.999 176.323 177.300 0.037 0.000 1.223 464 P CA -0.279 62.831 63.100 0.018 0.000 0.784 464 P CB 0.382 32.017 31.700 -0.107 0.000 0.923 465 F N 1.634 121.496 119.950 -0.148 0.000 2.745 465 F HA 0.636 5.163 4.527 -0.000 0.000 0.343 465 F C -0.688 175.062 175.800 -0.084 0.000 1.196 465 F CA -0.052 57.880 58.000 -0.112 0.000 1.021 465 F CB 1.413 40.380 39.000 -0.054 0.000 1.297 465 F HN 0.513 nan 8.300 nan 0.000 0.486 466 G N 2.460 110.940 108.800 -0.533 0.000 2.704 466 G HA2 0.553 4.513 3.960 -0.000 0.000 0.293 466 G HA3 0.553 4.513 3.960 -0.000 0.000 0.293 466 G C -1.266 173.404 174.900 -0.384 0.000 1.421 466 G CA -0.463 44.385 45.100 -0.420 0.000 0.870 466 G HN 0.933 nan 8.290 nan 0.000 0.492 467 G N -1.078 107.580 108.800 -0.237 0.000 2.461 467 G HA2 0.577 4.537 3.960 -0.000 0.000 0.329 467 G HA3 0.577 4.537 3.960 -0.000 0.000 0.329 467 G C -1.241 173.743 174.900 0.141 0.000 1.170 467 G CA -0.467 44.577 45.100 -0.094 0.000 0.935 467 G HN 0.370 nan 8.290 nan 0.000 0.492 468 Y N 0.238 120.480 120.300 -0.097 0.000 2.458 468 Y HA 0.429 4.979 4.550 -0.000 0.000 0.322 468 Y C 1.427 177.313 175.900 -0.024 0.000 1.259 468 Y CA -1.104 56.956 58.100 -0.066 0.000 1.302 468 Y CB 1.318 39.738 38.460 -0.066 0.000 1.314 468 Y HN 0.840 nan 8.280 nan 0.000 0.509 469 K N -0.473 119.991 120.400 0.106 0.000 1.867 469 K HA -0.325 3.995 4.320 -0.000 0.000 0.140 469 K C 0.670 177.298 176.600 0.046 0.000 1.408 469 K CA 1.965 58.283 56.287 0.052 0.000 0.461 469 K CB -1.096 31.446 32.500 0.071 0.000 0.594 469 K HN 0.653 nan 8.250 nan 0.000 0.888 470 M N 1.044 120.670 119.600 0.043 0.000 2.568 470 M HA 0.035 4.515 4.480 -0.000 0.000 0.226 470 M C 0.832 177.234 176.300 0.170 0.000 1.148 470 M CA 0.427 55.755 55.300 0.046 0.000 1.007 470 M CB 0.268 32.830 32.600 -0.063 0.000 1.651 470 M HN 0.295 nan 8.290 nan 0.000 0.488 471 S N 0.483 116.306 115.700 0.205 0.000 2.593 471 S HA 0.338 4.808 4.470 -0.000 0.000 0.217 471 S C 0.822 175.480 174.600 0.097 0.000 0.966 471 S CA 0.425 58.749 58.200 0.206 0.000 0.914 471 S CB 0.125 63.415 63.200 0.150 0.000 0.776 471 S HN 0.769 nan 8.310 nan 0.000 0.523 472 G N 0.864 109.712 108.800 0.080 0.000 2.343 472 G HA2 0.189 4.149 3.960 -0.000 0.000 0.465 472 G HA3 0.189 4.149 3.960 -0.000 0.000 0.465 472 G C -0.937 173.972 174.900 0.014 0.000 1.282 472 G CA -0.477 44.652 45.100 0.049 0.000 0.996 472 G HN 0.718 nan 8.290 nan 0.000 0.521 473 S N -1.017 114.684 115.700 0.001 0.000 2.546 473 S HA 1.029 5.499 4.470 -0.000 0.000 0.274 473 S C 0.486 175.066 174.600 -0.033 0.000 1.121 473 S CA 0.534 58.719 58.200 -0.026 0.000 0.887 473 S CB 1.648 64.832 63.200 -0.028 0.000 1.094 473 S HN 3.052 nan 8.310 nan 0.000 0.474 474 G N 1.276 110.046 108.800 -0.049 0.000 2.795 474 G HA2 0.203 4.163 3.960 -0.000 0.000 0.664 474 G HA3 0.203 4.163 3.960 -0.000 0.000 0.664 474 G C -1.160 173.710 174.900 -0.051 0.000 1.381 474 G CA -0.206 44.866 45.100 -0.046 0.000 0.853 474 G HN 1.375 nan 8.290 nan 0.000 0.545 475 Q N -0.398 119.384 119.800 -0.031 0.000 2.451 475 Q HA 0.773 5.113 4.340 -0.000 0.000 0.281 475 Q C -0.790 175.220 176.000 0.017 0.000 1.099 475 Q CA -0.879 54.904 55.803 -0.033 0.000 0.806 475 Q CB 2.409 31.107 28.738 -0.067 0.000 1.419 475 Q HN 0.756 nan 8.270 nan 0.000 0.427 476 E N 1.003 121.207 120.200 0.007 0.000 2.277 476 E HA 0.696 5.046 4.350 -0.000 0.000 0.266 476 E C -0.516 176.051 176.600 -0.055 0.000 0.901 476 E CA -0.956 55.436 56.400 -0.013 0.000 0.782 476 E CB 1.883 31.549 29.700 -0.057 0.000 1.228 476 E HN 0.523 nan 8.360 nan 0.000 0.424 477 L N 0.063 121.281 121.223 -0.008 0.000 0.585 477 L HA -0.264 4.075 4.340 -0.000 0.000 0.356 477 L C 0.569 177.549 176.870 0.183 0.000 0.963 477 L CA 0.807 55.675 54.840 0.047 0.000 1.223 477 L CB -1.189 40.719 42.059 -0.252 0.000 0.011 477 L HN 1.021 nan 8.230 nan 0.000 0.091 478 G N 0.381 109.261 108.800 0.134 0.000 2.752 478 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.234 478 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.234 478 G C 0.386 175.469 174.900 0.305 0.000 1.367 478 G CA 0.838 46.108 45.100 0.283 0.000 0.879 478 G HN 1.152 nan 8.290 nan 0.000 0.563 479 E N -0.986 119.311 120.200 0.162 0.000 2.150 479 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 479 E C 2.127 178.517 176.600 -0.349 0.000 0.985 479 E CA 1.692 57.861 56.400 -0.385 0.000 0.814 479 E CB -0.142 29.370 29.700 -0.314 0.000 0.752 479 E HN 0.634 nan 8.360 nan 0.000 0.466 480 Y N -0.120 120.137 120.300 -0.071 0.000 2.256 480 Y HA -0.087 4.463 4.550 -0.000 0.000 0.288 480 Y C 2.459 178.317 175.900 -0.071 0.000 1.155 480 Y CA 1.071 59.138 58.100 -0.056 0.000 1.203 480 Y CB -0.668 37.785 38.460 -0.012 0.000 0.980 480 Y HN 0.159 nan 8.280 nan 0.000 0.530 481 G N -0.091 108.788 108.800 0.132 0.000 2.498 481 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.219 481 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.219 481 G C 1.480 176.387 174.900 0.013 0.000 1.119 481 G CA 0.808 45.967 45.100 0.098 0.000 0.766 481 G HN 0.403 nan 8.290 nan 0.000 0.552 482 L N -0.632 120.472 121.223 -0.199 0.000 2.270 482 L HA 0.025 4.365 4.340 -0.000 0.000 0.210 482 L C 2.960 179.685 176.870 -0.242 0.000 1.104 482 L CA 0.427 55.036 54.840 -0.384 0.000 0.804 482 L CB -0.342 41.053 42.059 -1.106 0.000 0.937 482 L HN 0.223 nan 8.230 nan 0.000 0.450 483 Q N 0.480 120.193 119.800 -0.146 0.000 2.061 483 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 483 Q C 2.399 178.370 176.000 -0.048 0.000 0.984 483 Q CA 1.855 57.648 55.803 -0.017 0.000 0.846 483 Q CB -0.319 28.433 28.738 0.024 0.000 0.902 483 Q HN 0.569 nan 8.270 nan 0.000 0.421 484 A N -0.479 122.282 122.820 -0.097 0.000 2.121 484 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 484 A C 0.936 178.269 177.584 -0.418 0.000 1.154 484 A CA 0.887 52.775 52.037 -0.250 0.000 0.679 484 A CB -0.268 18.538 19.000 -0.323 0.000 0.795 484 A HN 0.424 nan 8.150 nan 0.000 0.458 485 Y N -0.640 119.624 120.300 -0.060 0.000 2.507 485 Y HA 0.206 4.756 4.550 -0.000 0.000 0.254 485 Y C 0.395 176.292 175.900 -0.005 0.000 1.171 485 Y CA 0.076 58.151 58.100 -0.042 0.000 1.238 485 Y CB 0.610 39.032 38.460 -0.063 0.000 1.148 485 Y HN 0.068 nan 8.280 nan 0.000 0.525 486 T N 0.770 115.371 114.554 0.079 0.000 2.856 486 T HA 0.348 4.698 4.350 -0.000 0.000 0.283 486 T C -0.559 174.150 174.700 0.015 0.000 1.008 486 T CA -0.771 61.383 62.100 0.091 0.000 0.997 486 T CB 1.933 70.888 68.868 0.144 0.000 0.992 486 T HN -0.134 nan 8.240 nan 0.000 0.454 487 E N 1.637 121.858 120.200 0.035 0.000 2.195 487 E HA 0.502 4.851 4.350 -0.000 0.000 0.271 487 E C -0.953 175.651 176.600 0.007 0.000 0.923 487 E CA -0.676 55.733 56.400 0.015 0.000 0.790 487 E CB 2.214 31.944 29.700 0.050 0.000 1.155 487 E HN 0.291 nan 8.360 nan 0.000 0.402 488 V N 3.426 123.330 119.914 -0.017 0.000 2.328 488 V HA 0.275 4.395 4.120 -0.000 0.000 0.278 488 V C 0.235 176.338 176.094 0.016 0.000 1.021 488 V CA -0.664 61.640 62.300 0.007 0.000 0.838 488 V CB 1.198 33.001 31.823 -0.032 0.000 0.999 488 V HN 0.405 nan 8.190 nan 0.000 0.447 489 K N 3.317 123.738 120.400 0.036 0.000 2.235 489 K HA 0.545 4.865 4.320 -0.000 0.000 0.266 489 K C -0.497 176.061 176.600 -0.070 0.000 0.980 489 K CA -0.327 55.952 56.287 -0.014 0.000 0.849 489 K CB 1.424 33.922 32.500 -0.003 0.000 1.098 489 K HN 0.639 nan 8.250 nan 0.000 0.445 490 T N 3.111 117.593 114.554 -0.120 0.000 2.767 490 T HA 0.303 4.653 4.350 -0.000 0.000 0.284 490 T C -0.809 173.701 174.700 -0.318 0.000 0.973 490 T CA -0.551 61.426 62.100 -0.205 0.000 0.996 490 T CB 1.178 69.952 68.868 -0.156 0.000 0.927 490 T HN 0.310 nan 8.240 nan 0.000 0.456 491 V N 4.026 123.587 119.914 -0.589 0.000 2.409 491 V HA 0.485 4.605 4.120 -0.000 0.000 0.291 491 V C 0.091 175.806 176.094 -0.632 0.000 1.020 491 V CA -0.709 61.186 62.300 -0.674 0.000 0.848 491 V CB 1.810 33.008 31.823 -1.042 0.000 0.990 491 V HN 0.943 nan 8.190 nan 0.000 0.430 492 T N 4.585 118.938 114.554 -0.335 0.000 2.815 492 T HA 0.579 4.929 4.350 -0.000 0.000 0.289 492 T C -0.452 174.223 174.700 -0.042 0.000 1.000 492 T CA -0.355 61.624 62.100 -0.203 0.000 0.958 492 T CB 1.494 70.236 68.868 -0.211 0.000 0.944 492 T HN 0.340 nan 8.240 nan 0.000 0.442 493 V N 3.887 123.852 119.914 0.085 0.000 2.495 493 V HA 0.451 4.571 4.120 -0.000 0.000 0.298 493 V C 0.364 176.656 176.094 0.329 0.000 1.031 493 V CA -1.170 61.250 62.300 0.200 0.000 0.871 493 V CB 1.800 33.765 31.823 0.237 0.000 0.988 493 V HN 0.745 nan 8.190 nan 0.000 0.432 494 K N 3.909 124.480 120.400 0.285 0.000 2.412 494 K HA 0.437 4.757 4.320 -0.000 0.000 0.281 494 K C -0.485 176.129 176.600 0.023 0.000 1.027 494 K CA -0.172 56.186 56.287 0.119 0.000 0.989 494 K CB 0.926 33.482 32.500 0.094 0.000 0.935 494 K HN 0.680 nan 8.250 nan 0.000 0.475 495 V N 2.049 121.907 119.914 -0.093 0.000 2.960 495 V HA 0.410 4.530 4.120 -0.000 0.000 0.315 495 V C -2.149 173.884 176.094 -0.101 0.000 1.087 495 V CA -1.970 60.303 62.300 -0.044 0.000 0.982 495 V CB 1.391 33.217 31.823 0.006 0.000 1.039 495 V HN 0.677 nan 8.190 nan 0.000 0.437 496 P HA -0.101 nan 4.420 nan 0.000 0.214 496 P C 0.081 177.333 177.300 -0.081 0.000 1.163 496 P CA 1.416 64.477 63.100 -0.066 0.000 0.889 496 P CB 0.134 31.808 31.700 -0.043 0.000 0.790 497 Q N -1.188 118.568 119.800 -0.073 0.000 2.371 497 Q HA 0.148 4.488 4.340 -0.000 0.000 0.244 497 Q C -1.037 174.929 176.000 -0.056 0.000 0.882 497 Q CA -0.666 55.096 55.803 -0.068 0.000 0.866 497 Q CB 1.057 29.765 28.738 -0.049 0.000 1.399 497 Q HN -0.142 nan 8.270 nan 0.000 0.432 498 K N 3.730 124.096 120.400 -0.056 0.000 2.350 498 K HA 0.260 4.580 4.320 -0.000 0.000 0.279 498 K C -0.964 175.627 176.600 -0.016 0.000 1.027 498 K CA 0.205 56.477 56.287 -0.024 0.000 0.969 498 K CB 0.618 33.119 32.500 0.002 0.000 0.954 498 K HN 0.633 nan 8.250 nan 0.000 0.474 499 N N 1.256 119.948 118.700 -0.014 0.000 2.321 499 N HA 0.115 4.855 4.740 -0.000 0.000 0.290 499 N C -0.755 174.751 175.510 -0.006 0.000 1.212 499 N CA -0.560 52.483 53.050 -0.012 0.000 0.767 499 N CB 1.959 40.433 38.487 -0.022 0.000 1.494 499 N HN 0.729 nan 8.380 nan 0.000 0.479 500 S N 0.000 115.699 115.700 -0.002 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.201 58.200 0.001 0.000 1.107 500 S CB 0.000 63.202 63.200 0.004 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517