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 2vle_1_C DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGRE LGEYGLQAYT EVKTVTVKVP QKNS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.573 177.584 -0.019 0.000 1.274 7 A CA 0.000 52.050 52.037 0.022 0.000 0.836 7 A CB 0.000 19.027 19.000 0.045 0.000 0.831 8 V N 2.013 121.881 119.914 -0.077 0.000 2.384 8 V HA 0.505 4.625 4.120 -0.000 0.000 0.287 8 V C -2.021 173.956 176.094 -0.195 0.000 1.020 8 V CA -1.483 60.666 62.300 -0.253 0.000 0.850 8 V CB 1.304 33.004 31.823 -0.205 0.000 0.987 8 V HN 0.673 nan 8.190 nan 0.000 0.436 9 P HA 0.302 nan 4.420 nan 0.000 0.268 9 P C -0.209 177.096 177.300 0.008 0.000 1.205 9 P CA -0.091 62.949 63.100 -0.100 0.000 0.771 9 P CB 0.505 32.159 31.700 -0.077 0.000 0.858 10 A N 4.702 127.521 122.820 -0.001 0.000 2.520 10 A HA 0.378 4.698 4.320 -0.000 0.000 0.245 10 A C -1.822 175.698 177.584 -0.106 0.000 1.072 10 A CA -0.741 51.275 52.037 -0.036 0.000 0.761 10 A CB -0.978 17.992 19.000 -0.048 0.000 1.004 10 A HN 0.438 nan 8.150 nan 0.000 0.499 11 P HA 0.161 nan 4.420 nan 0.000 0.282 11 P C -0.779 176.302 177.300 -0.366 0.000 1.249 11 P CA -0.770 62.014 63.100 -0.528 0.000 0.806 11 P CB 0.724 31.670 31.700 -1.257 0.000 0.984 12 N N 1.902 120.447 118.700 -0.260 0.000 2.405 12 N HA 0.003 4.743 4.740 -0.000 0.000 0.260 12 N C 0.668 175.878 175.510 -0.501 0.000 1.152 12 N CA 0.300 53.193 53.050 -0.262 0.000 0.948 12 N CB 0.336 38.767 38.487 -0.094 0.000 1.111 12 N HN 0.270 nan 8.380 nan 0.000 0.485 13 Q N 2.025 121.409 119.800 -0.694 0.000 2.444 13 Q HA 0.015 4.355 4.340 -0.000 0.000 0.206 13 Q C -0.287 175.300 176.000 -0.690 0.000 0.948 13 Q CA 0.677 55.719 55.803 -1.267 0.000 0.946 13 Q CB 0.298 28.405 28.738 -1.052 0.000 1.027 13 Q HN 0.619 nan 8.270 nan 0.000 0.513 14 Q N 0.909 120.488 119.800 -0.368 0.000 3.484 14 Q HA 0.211 4.551 4.340 -0.000 0.000 0.255 14 Q C -2.501 173.424 176.000 -0.125 0.000 0.909 14 Q CA -1.467 54.220 55.803 -0.193 0.000 0.774 14 Q CB 1.420 30.066 28.738 -0.154 0.000 1.431 14 Q HN 0.060 nan 8.270 nan 0.000 0.423 15 P HA -0.086 nan 4.420 nan 0.000 0.268 15 P C -0.281 177.004 177.300 -0.024 0.000 1.205 15 P CA 0.017 63.120 63.100 0.004 0.000 0.771 15 P CB 0.963 32.630 31.700 -0.056 0.000 0.858 16 E N 1.502 121.683 120.200 -0.032 0.000 2.383 16 E HA 0.193 4.543 4.350 -0.000 0.000 0.264 16 E C -0.794 175.543 176.600 -0.438 0.000 1.050 16 E CA -0.597 55.617 56.400 -0.309 0.000 0.896 16 E CB 0.661 30.056 29.700 -0.508 0.000 0.982 16 E HN 0.138 nan 8.360 nan 0.000 0.424 17 V N 5.647 125.283 119.914 -0.463 0.000 2.394 17 V HA 0.143 4.263 4.120 -0.000 0.000 0.282 17 V C 0.008 175.804 176.094 -0.496 0.000 1.031 17 V CA -0.092 62.008 62.300 -0.333 0.000 0.881 17 V CB 0.935 32.651 31.823 -0.178 0.000 0.982 17 V HN 0.710 nan 8.190 nan 0.000 0.451 18 F N 1.465 121.434 119.950 0.032 0.000 2.727 18 F HA 0.290 4.817 4.527 -0.000 0.000 0.302 18 F C 0.850 176.530 175.800 -0.199 0.000 1.107 18 F CA -0.045 57.933 58.000 -0.037 0.000 1.277 18 F CB 0.518 39.551 39.000 0.055 0.000 1.079 18 F HN 0.382 nan 8.300 nan 0.000 0.594 19 C N 1.880 121.142 119.300 -0.063 0.000 2.397 19 C HA 0.420 4.880 4.460 -0.000 0.000 0.325 19 C C 0.185 174.990 174.990 -0.307 0.000 1.201 19 C CA -0.862 57.878 59.018 -0.464 0.000 1.377 19 C CB 0.664 28.095 27.740 -0.515 0.000 2.038 19 C HN 0.530 nan 8.230 nan 0.000 0.457 20 N N 1.223 119.719 118.700 -0.341 0.000 2.261 20 N HA 0.062 4.802 4.740 -0.000 0.000 0.241 20 N C -0.460 175.023 175.510 -0.046 0.000 1.374 20 N CA -0.251 52.709 53.050 -0.151 0.000 0.802 20 N CB 0.087 38.483 38.487 -0.152 0.000 1.339 20 N HN 0.787 nan 8.380 nan 0.000 0.498 21 Q N 0.006 119.829 119.800 0.037 0.000 2.712 21 Q HA 0.579 4.919 4.340 -0.000 0.000 0.267 21 Q C -0.465 175.860 176.000 0.542 0.000 1.062 21 Q CA -0.984 54.994 55.803 0.291 0.000 0.888 21 Q CB 2.002 30.940 28.738 0.334 0.000 1.374 21 Q HN 0.132 nan 8.270 nan 0.000 0.498 22 I N 1.197 122.044 120.570 0.463 0.000 2.441 22 I HA 0.139 4.309 4.170 -0.000 0.000 0.287 22 I C -0.740 175.587 176.117 0.351 0.000 1.049 22 I CA -0.079 61.455 61.300 0.391 0.000 1.381 22 I CB 0.425 38.598 38.000 0.288 0.000 1.409 22 I HN 0.371 nan 8.210 nan 0.000 0.523 23 F N 8.317 128.268 119.950 0.001 0.000 2.332 23 F HA 0.614 5.141 4.527 -0.000 0.000 0.368 23 F C -0.555 175.124 175.800 -0.201 0.000 1.110 23 F CA -0.464 57.294 58.000 -0.403 0.000 1.087 23 F CB 0.342 38.953 39.000 -0.649 0.000 1.235 23 F HN 0.167 nan 8.300 nan 0.000 0.470 24 I N 5.563 125.809 120.570 -0.540 0.000 2.569 24 I HA 0.212 4.382 4.170 -0.000 0.000 0.290 24 I C -0.348 175.521 176.117 -0.413 0.000 1.088 24 I CA -1.062 60.043 61.300 -0.324 0.000 1.047 24 I CB 1.841 39.829 38.000 -0.020 0.000 1.237 24 I HN 0.469 nan 8.210 nan 0.000 0.421 25 N N 4.550 123.015 118.700 -0.392 0.000 2.721 25 N HA -0.247 4.493 4.740 -0.000 0.000 0.249 25 N C 0.037 175.281 175.510 -0.444 0.000 1.072 25 N CA 1.310 54.176 53.050 -0.307 0.000 0.710 25 N CB -1.103 37.299 38.487 -0.142 0.000 0.993 25 N HN 0.946 nan 8.380 nan 0.000 0.547 26 N N -1.610 116.573 118.700 -0.862 0.000 2.741 26 N HA -0.241 4.498 4.740 -0.000 0.000 0.251 26 N C -0.932 174.155 175.510 -0.705 0.000 1.112 26 N CA 1.252 53.812 53.050 -0.818 0.000 0.750 26 N CB -0.417 37.938 38.487 -0.220 0.000 1.119 26 N HN 0.617 nan 8.380 nan 0.000 0.561 27 E N -0.860 118.807 120.200 -0.889 0.000 2.336 27 E HA 0.404 4.754 4.350 -0.000 0.000 0.267 27 E C -0.945 175.081 176.600 -0.958 0.000 0.906 27 E CA -0.734 55.259 56.400 -0.678 0.000 0.781 27 E CB 1.119 30.567 29.700 -0.419 0.000 1.261 27 E HN 0.122 nan 8.360 nan 0.000 0.436 28 W N 1.464 122.506 121.300 -0.431 0.000 2.417 28 W HA 0.317 4.977 4.660 -0.000 0.000 0.317 28 W C 0.184 176.402 176.519 -0.502 0.000 1.121 28 W CA -0.275 56.889 57.345 -0.302 0.000 1.208 28 W CB 0.897 30.332 29.460 -0.042 0.000 1.253 28 W HN 0.316 nan 8.180 nan 0.000 0.533 29 H N 1.359 120.606 119.070 0.295 0.000 2.851 29 H HA 0.221 4.777 4.556 -0.000 0.000 0.372 29 H C -0.705 174.732 175.328 0.182 0.000 1.158 29 H CA -0.890 55.262 56.048 0.174 0.000 1.159 29 H CB 1.614 31.430 29.762 0.089 0.000 1.757 29 H HN 0.264 nan 8.280 nan 0.000 0.546 30 D N 0.617 121.174 120.400 0.261 0.000 2.344 30 D HA 0.297 4.937 4.640 -0.000 0.000 0.244 30 D C 0.530 176.937 176.300 0.178 0.000 1.134 30 D CA -0.359 53.754 54.000 0.188 0.000 0.930 30 D CB 1.153 42.034 40.800 0.135 0.000 1.175 30 D HN 0.619 nan 8.370 nan 0.000 0.437 31 A N 0.973 123.889 122.820 0.160 0.000 2.520 31 A HA 0.048 4.368 4.320 -0.000 0.000 0.235 31 A C 1.608 179.253 177.584 0.102 0.000 1.065 31 A CA -0.401 51.720 52.037 0.139 0.000 0.764 31 A CB 0.252 19.342 19.000 0.151 0.000 1.002 31 A HN 0.434 nan 8.150 nan 0.000 0.502 32 V N 2.303 122.264 119.914 0.079 0.000 2.380 32 V HA -0.265 3.855 4.120 -0.000 0.000 0.251 32 V C 2.758 178.886 176.094 0.058 0.000 1.063 32 V CA 2.843 65.176 62.300 0.055 0.000 1.055 32 V CB -0.822 31.025 31.823 0.040 0.000 0.657 32 V HN 1.158 nan 8.190 nan 0.000 0.455 33 S N -1.086 114.655 115.700 0.067 0.000 2.522 33 S HA -0.122 4.347 4.470 -0.000 0.000 0.227 33 S C 1.333 175.974 174.600 0.068 0.000 0.986 33 S CA 0.361 58.598 58.200 0.062 0.000 0.929 33 S CB -0.089 63.151 63.200 0.066 0.000 0.769 33 S HN 0.529 nan 8.310 nan 0.000 0.529 34 R N -0.249 120.300 120.500 0.080 0.000 3.977 34 R HA -0.116 4.224 4.340 -0.000 0.000 0.428 34 R C -0.445 175.908 176.300 0.089 0.000 1.079 34 R CA 1.346 57.494 56.100 0.081 0.000 1.269 34 R CB -2.414 27.923 30.300 0.062 0.000 1.856 34 R HN 0.587 nan 8.270 nan 0.000 0.551 35 K N 1.445 121.906 120.400 0.103 0.000 2.319 35 K HA 0.203 4.523 4.320 -0.000 0.000 0.265 35 K C 0.892 177.590 176.600 0.163 0.000 1.000 35 K CA 0.995 57.355 56.287 0.122 0.000 0.943 35 K CB 0.508 33.084 32.500 0.127 0.000 0.950 35 K HN 0.319 nan 8.250 nan 0.000 0.485 36 T N -1.112 113.544 114.554 0.170 0.000 2.883 36 T HA 0.691 5.041 4.350 -0.000 0.000 0.296 36 T C -0.864 174.005 174.700 0.282 0.000 1.117 36 T CA -1.060 61.144 62.100 0.173 0.000 1.006 36 T CB 0.807 69.702 68.868 0.046 0.000 1.191 36 T HN 0.485 nan 8.240 nan 0.000 0.508 37 F N -1.040 118.990 119.950 0.133 0.000 2.588 37 F HA 0.858 5.385 4.527 -0.000 0.000 0.310 37 F C -3.143 172.708 175.800 0.084 0.000 1.082 37 F CA -2.923 55.174 58.000 0.161 0.000 0.929 37 F CB 1.511 40.694 39.000 0.305 0.000 1.254 37 F HN 0.395 nan 8.300 nan 0.000 0.455 38 P HA 0.172 nan 4.420 nan 0.000 0.284 38 P C -0.870 176.460 177.300 0.050 0.000 1.253 38 P CA -0.098 63.008 63.100 0.010 0.000 0.800 38 P CB 1.876 33.620 31.700 0.073 0.000 0.961 39 T N 1.800 116.318 114.554 -0.060 0.000 2.823 39 T HA 0.414 4.764 4.350 -0.000 0.000 0.279 39 T C -0.535 174.163 174.700 -0.004 0.000 0.998 39 T CA -0.528 61.575 62.100 0.004 0.000 0.994 39 T CB 0.446 69.296 68.868 -0.030 0.000 0.960 39 T HN 0.062 nan 8.240 nan 0.000 0.448 40 V N 5.356 125.277 119.914 0.012 0.000 2.612 40 V HA 0.424 4.544 4.120 -0.000 0.000 0.301 40 V C 0.550 176.645 176.094 0.002 0.000 1.046 40 V CA -1.083 61.225 62.300 0.014 0.000 0.946 40 V CB 1.656 33.507 31.823 0.047 0.000 1.003 40 V HN 0.958 nan 8.190 nan 0.000 0.459 41 N N 5.052 123.753 118.700 0.002 0.000 2.415 41 N HA 0.212 4.952 4.740 -0.000 0.000 0.246 41 N C -1.521 173.986 175.510 -0.005 0.000 1.078 41 N CA -1.417 51.630 53.050 -0.004 0.000 0.942 41 N CB 1.302 39.791 38.487 0.004 0.000 1.140 41 N HN 0.413 nan 8.380 nan 0.000 0.501 42 P HA -0.085 nan 4.420 nan 0.000 0.225 42 P C 0.550 177.755 177.300 -0.159 0.000 1.148 42 P CA 0.937 64.061 63.100 0.040 0.000 0.779 42 P CB 0.336 32.022 31.700 -0.023 0.000 0.780 43 S N -0.434 115.197 115.700 -0.115 0.000 2.428 43 S HA -0.055 4.415 4.470 -0.000 0.000 0.230 43 S C 1.894 176.520 174.600 0.043 0.000 1.014 43 S CA 1.861 60.054 58.200 -0.011 0.000 0.957 43 S CB -0.771 62.504 63.200 0.126 0.000 0.784 43 S HN 0.450 nan 8.310 nan 0.000 0.499 44 T N -3.091 111.435 114.554 -0.046 0.000 2.964 44 T HA 0.468 4.818 4.350 -0.000 0.000 0.249 44 T C 1.567 176.179 174.700 -0.147 0.000 1.000 44 T CA 0.841 62.903 62.100 -0.064 0.000 0.992 44 T CB 0.249 69.101 68.868 -0.027 0.000 1.087 44 T HN 0.521 nan 8.240 nan 0.000 0.489 45 G N 1.530 110.227 108.800 -0.172 0.000 2.179 45 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.260 45 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.260 45 G C -0.145 174.727 174.900 -0.047 0.000 0.977 45 G CA 0.114 45.124 45.100 -0.149 0.000 0.641 45 G HN 0.607 nan 8.290 nan 0.000 0.533 46 E N 0.101 120.277 120.200 -0.040 0.000 2.343 46 E HA 0.438 4.788 4.350 -0.000 0.000 0.269 46 E C 0.629 177.222 176.600 -0.012 0.000 1.047 46 E CA -0.598 55.788 56.400 -0.024 0.000 0.874 46 E CB 1.891 31.574 29.700 -0.028 0.000 1.033 46 E HN 0.121 nan 8.360 nan 0.000 0.409 47 V N 4.434 124.342 119.914 -0.010 0.000 2.479 47 V HA -0.031 4.089 4.120 -0.000 0.000 0.281 47 V C 1.704 177.781 176.094 -0.028 0.000 1.031 47 V CA 0.393 62.686 62.300 -0.012 0.000 1.038 47 V CB 0.129 31.946 31.823 -0.011 0.000 0.981 47 V HN 0.619 nan 8.190 nan 0.000 0.478 48 I N 4.307 124.856 120.570 -0.035 0.000 2.235 48 I HA -0.006 4.164 4.170 -0.000 0.000 0.241 48 I C 1.041 177.117 176.117 -0.068 0.000 1.085 48 I CA 1.454 62.725 61.300 -0.049 0.000 1.378 48 I CB 0.108 38.079 38.000 -0.048 0.000 1.076 48 I HN 0.876 nan 8.210 nan 0.000 0.415 49 C N -2.103 117.148 119.300 -0.083 0.000 3.211 49 C HA 0.549 5.009 4.460 -0.000 0.000 0.350 49 C C -0.878 174.029 174.990 -0.139 0.000 1.413 49 C CA -1.103 57.853 59.018 -0.102 0.000 1.203 49 C CB 1.082 28.752 27.740 -0.116 0.000 1.506 49 C HN 0.250 nan 8.230 nan 0.000 0.448 50 Q N 0.303 120.016 119.800 -0.146 0.000 2.222 50 Q HA 0.834 5.174 4.340 -0.000 0.000 0.252 50 Q C -0.878 174.956 176.000 -0.277 0.000 0.926 50 Q CA -0.297 55.393 55.803 -0.189 0.000 0.899 50 Q CB 1.677 30.353 28.738 -0.103 0.000 1.250 50 Q HN 0.824 nan 8.270 nan 0.000 0.441 51 V N 1.865 121.491 119.914 -0.480 0.000 2.841 51 V HA 0.724 4.844 4.120 -0.000 0.000 0.310 51 V C -0.732 175.183 176.094 -0.300 0.000 1.090 51 V CA -1.136 60.858 62.300 -0.508 0.000 0.930 51 V CB 1.871 33.158 31.823 -0.894 0.000 1.014 51 V HN 0.960 nan 8.190 nan 0.000 0.425 52 A N 2.516 125.323 122.820 -0.022 0.000 2.546 52 A HA 0.222 4.542 4.320 -0.000 0.000 0.243 52 A C 0.357 178.149 177.584 0.346 0.000 1.063 52 A CA 0.289 52.418 52.037 0.153 0.000 0.757 52 A CB -0.061 19.049 19.000 0.184 0.000 0.991 52 A HN 0.888 nan 8.150 nan 0.000 0.503 53 E N 2.922 123.357 120.200 0.393 0.000 1.986 53 E HA 0.367 4.717 4.350 -0.000 0.000 0.264 53 E C 0.601 177.377 176.600 0.293 0.000 1.023 53 E CA -0.325 56.364 56.400 0.480 0.000 0.834 53 E CB 0.255 30.261 29.700 0.511 0.000 1.111 53 E HN 0.820 nan 8.360 nan 0.000 0.417 54 G N 3.298 112.253 108.800 0.258 0.000 2.491 54 G HA2 0.053 4.013 3.960 -0.000 0.000 0.242 54 G HA3 0.053 4.013 3.960 -0.000 0.000 0.242 54 G C -0.277 174.716 174.900 0.156 0.000 1.266 54 G CA -0.190 45.022 45.100 0.186 0.000 0.844 54 G HN 0.563 nan 8.290 nan 0.000 0.571 55 D N -0.382 120.091 120.400 0.122 0.000 2.837 55 D HA 0.203 4.843 4.640 -0.000 0.000 0.294 55 D C 1.335 177.685 176.300 0.084 0.000 1.158 55 D CA -0.809 53.250 54.000 0.098 0.000 1.073 55 D CB 1.541 42.390 40.800 0.082 0.000 1.419 55 D HN 0.268 nan 8.370 nan 0.000 0.584 56 K N 0.239 120.680 120.400 0.069 0.000 2.059 56 K HA -0.189 4.131 4.320 -0.000 0.000 0.212 56 K C 1.532 178.174 176.600 0.071 0.000 1.050 56 K CA 1.731 58.059 56.287 0.068 0.000 0.927 56 K CB 0.064 32.591 32.500 0.046 0.000 0.714 56 K HN 0.327 nan 8.250 nan 0.000 0.447 57 E N 0.172 120.406 120.200 0.057 0.000 2.153 57 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 57 E C 1.652 178.282 176.600 0.050 0.000 0.988 57 E CA 1.198 57.627 56.400 0.048 0.000 0.811 57 E CB -0.011 29.711 29.700 0.037 0.000 0.746 57 E HN 0.468 nan 8.360 nan 0.000 0.466 58 D N 0.585 121.021 120.400 0.060 0.000 2.103 58 D HA -0.102 4.538 4.640 -0.000 0.000 0.199 58 D C 2.205 178.538 176.300 0.055 0.000 0.978 58 D CA 0.719 54.754 54.000 0.059 0.000 0.829 58 D CB -0.144 40.710 40.800 0.089 0.000 0.981 58 D HN 0.019 nan 8.370 nan 0.000 0.464 59 V N 2.164 122.120 119.914 0.071 0.000 2.324 59 V HA -0.247 3.873 4.120 -0.000 0.000 0.250 59 V C 1.986 178.112 176.094 0.054 0.000 1.060 59 V CA 1.845 64.184 62.300 0.064 0.000 1.042 59 V CB -0.460 31.419 31.823 0.093 0.000 0.650 59 V HN 0.041 nan 8.190 nan 0.000 0.450 60 D N -0.169 120.295 120.400 0.106 0.000 2.123 60 D HA -0.161 4.479 4.640 -0.000 0.000 0.196 60 D C 2.282 178.616 176.300 0.057 0.000 0.992 60 D CA 1.259 55.346 54.000 0.145 0.000 0.833 60 D CB -0.217 40.666 40.800 0.138 0.000 0.954 60 D HN 0.444 nan 8.370 nan 0.000 0.455 61 K N 0.396 120.808 120.400 0.019 0.000 2.057 61 K HA -0.017 4.303 4.320 -0.000 0.000 0.206 61 K C 2.127 178.704 176.600 -0.038 0.000 1.050 61 K CA 1.013 57.288 56.287 -0.021 0.000 0.935 61 K CB -0.060 32.406 32.500 -0.056 0.000 0.715 61 K HN 0.031 nan 8.250 nan 0.000 0.439 62 A N 1.145 123.946 122.820 -0.031 0.000 1.902 62 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 62 A C 2.375 179.915 177.584 -0.073 0.000 1.181 62 A CA 1.318 53.328 52.037 -0.045 0.000 0.623 62 A CB -0.597 18.391 19.000 -0.019 0.000 0.818 62 A HN 0.063 nan 8.150 nan 0.000 0.443 63 V N 0.280 120.126 119.914 -0.113 0.000 2.427 63 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 63 V C 2.420 178.454 176.094 -0.101 0.000 1.051 63 V CA 2.265 64.450 62.300 -0.192 0.000 1.048 63 V CB -0.634 30.881 31.823 -0.513 0.000 0.666 63 V HN 0.543 nan 8.190 nan 0.000 0.456 64 K N 0.350 120.722 120.400 -0.047 0.000 2.057 64 K HA -0.090 4.230 4.320 -0.000 0.000 0.206 64 K C 2.338 178.933 176.600 -0.009 0.000 1.050 64 K CA 1.391 57.674 56.287 -0.007 0.000 0.935 64 K CB -0.407 32.099 32.500 0.010 0.000 0.715 64 K HN 0.462 nan 8.250 nan 0.000 0.439 65 A N 1.863 124.665 122.820 -0.030 0.000 1.883 65 A HA -0.155 4.164 4.320 -0.000 0.000 0.217 65 A C 2.433 180.006 177.584 -0.017 0.000 1.186 65 A CA 1.971 53.988 52.037 -0.033 0.000 0.624 65 A CB -0.737 18.223 19.000 -0.065 0.000 0.822 65 A HN 0.335 nan 8.150 nan 0.000 0.444 66 A N -0.220 122.584 122.820 -0.028 0.000 1.858 66 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 66 A C 2.179 179.802 177.584 0.066 0.000 1.190 66 A CA 2.279 54.311 52.037 -0.007 0.000 0.617 66 A CB -0.517 18.454 19.000 -0.048 0.000 0.827 66 A HN 0.469 nan 8.150 nan 0.000 0.443 67 R N 0.317 120.846 120.500 0.049 0.000 2.096 67 R HA -0.131 4.208 4.340 -0.000 0.000 0.240 67 R C 2.134 178.526 176.300 0.154 0.000 1.139 67 R CA 2.264 58.430 56.100 0.111 0.000 0.952 67 R CB -1.048 29.294 30.300 0.070 0.000 0.854 67 R HN 0.422 nan 8.270 nan 0.000 0.436 68 A N 0.089 122.966 122.820 0.095 0.000 1.877 68 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 68 A C 2.360 180.011 177.584 0.111 0.000 1.186 68 A CA 1.884 53.971 52.037 0.085 0.000 0.620 68 A CB -1.117 17.910 19.000 0.046 0.000 0.822 68 A HN 0.503 nan 8.150 nan 0.000 0.443 69 A N -2.216 120.675 122.820 0.117 0.000 2.121 69 A HA 0.043 4.362 4.320 -0.000 0.000 0.218 69 A C 1.719 179.468 177.584 0.275 0.000 1.154 69 A CA 1.296 53.421 52.037 0.147 0.000 0.679 69 A CB -0.549 18.494 19.000 0.072 0.000 0.795 69 A HN 0.634 nan 8.150 nan 0.000 0.458 70 F N 0.127 120.154 119.950 0.129 0.000 2.727 70 F HA 0.226 4.753 4.527 -0.000 0.000 0.302 70 F C 0.625 176.499 175.800 0.124 0.000 1.097 70 F CA -0.318 57.786 58.000 0.173 0.000 1.330 70 F CB 0.166 39.253 39.000 0.145 0.000 1.084 70 F HN 0.073 nan 8.300 nan 0.000 0.578 71 Q N 1.728 121.571 119.800 0.072 0.000 2.330 71 Q HA 0.042 4.382 4.340 -0.000 0.000 0.279 71 Q C -0.214 175.727 176.000 -0.099 0.000 1.024 71 Q CA -0.121 55.679 55.803 -0.004 0.000 0.900 71 Q CB 0.812 29.573 28.738 0.038 0.000 1.221 71 Q HN 0.269 nan 8.270 nan 0.000 0.396 72 L N 1.806 122.959 121.223 -0.117 0.000 2.578 72 L HA 0.083 4.423 4.340 -0.000 0.000 0.279 72 L C 1.273 178.105 176.870 -0.062 0.000 1.227 72 L CA 2.229 57.000 54.840 -0.116 0.000 0.900 72 L CB 0.020 42.034 42.059 -0.076 0.000 1.144 72 L HN 0.926 nan 8.230 nan 0.000 0.496 73 G N 1.953 110.716 108.800 -0.063 0.000 2.175 73 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.244 73 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.244 73 G C 0.356 175.249 174.900 -0.012 0.000 0.982 73 G CA 0.360 45.440 45.100 -0.032 0.000 0.641 73 G HN 1.129 nan 8.290 nan 0.000 0.527 74 S N 0.579 116.277 115.700 -0.004 0.000 2.593 74 S HA 0.552 5.022 4.470 -0.000 0.000 0.269 74 S C -0.500 174.139 174.600 0.065 0.000 1.334 74 S CA -0.218 58.008 58.200 0.044 0.000 1.015 74 S CB 1.863 65.112 63.200 0.082 0.000 0.912 74 S HN 0.009 nan 8.310 nan 0.000 0.541 75 P HA -0.126 nan 4.420 nan 0.000 0.216 75 P C 1.290 178.705 177.300 0.193 0.000 1.153 75 P CA 1.316 64.485 63.100 0.115 0.000 0.858 75 P CB -0.146 31.632 31.700 0.129 0.000 0.789 76 W N 0.186 121.509 121.300 0.038 0.000 2.388 76 W HA -0.133 4.527 4.660 -0.000 0.000 0.294 76 W C 1.693 178.235 176.519 0.039 0.000 1.212 76 W CA 0.641 58.029 57.345 0.071 0.000 1.271 76 W CB -0.091 29.441 29.460 0.120 0.000 1.126 76 W HN -0.151 nan 8.180 nan 0.000 0.535 77 R N 0.356 120.852 120.500 -0.006 0.000 2.115 77 R HA -0.038 4.302 4.340 -0.000 0.000 0.226 77 R C 2.072 178.277 176.300 -0.158 0.000 1.100 77 R CA 1.006 56.999 56.100 -0.178 0.000 0.980 77 R CB -0.648 29.534 30.300 -0.198 0.000 0.875 77 R HN 0.312 nan 8.270 nan 0.000 0.445 78 R N -0.263 120.183 120.500 -0.091 0.000 2.210 78 R HA 0.181 4.521 4.340 -0.000 0.000 0.203 78 R C 1.103 177.349 176.300 -0.090 0.000 1.010 78 R CA -0.224 55.829 56.100 -0.078 0.000 1.008 78 R CB 0.006 30.278 30.300 -0.046 0.000 0.923 78 R HN 0.105 nan 8.270 nan 0.000 0.469 79 M N 2.402 121.941 119.600 -0.101 0.000 2.248 79 M HA -0.069 4.411 4.480 -0.000 0.000 0.343 79 M C -0.755 175.477 176.300 -0.114 0.000 1.243 79 M CA 0.516 55.754 55.300 -0.103 0.000 1.025 79 M CB 0.494 33.053 32.600 -0.068 0.000 1.759 79 M HN -0.053 nan 8.290 nan 0.000 0.452 80 D N 4.249 124.608 120.400 -0.068 0.000 2.488 80 D HA 0.065 4.705 4.640 -0.000 0.000 0.238 80 D C 0.871 177.156 176.300 -0.024 0.000 1.138 80 D CA 0.612 54.592 54.000 -0.034 0.000 0.873 80 D CB 1.031 41.830 40.800 -0.003 0.000 1.183 80 D HN 0.774 nan 8.370 nan 0.000 0.458 81 A N 2.539 125.337 122.820 -0.035 0.000 1.908 81 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 81 A C 2.133 179.722 177.584 0.009 0.000 1.181 81 A CA 2.238 54.256 52.037 -0.031 0.000 0.627 81 A CB -0.593 18.405 19.000 -0.003 0.000 0.818 81 A HN 0.605 nan 8.150 nan 0.000 0.445 82 S N -1.248 114.469 115.700 0.028 0.000 2.419 82 S HA -0.242 4.228 4.470 -0.000 0.000 0.233 82 S C 1.828 176.456 174.600 0.046 0.000 1.016 82 S CA 1.582 59.803 58.200 0.034 0.000 0.974 82 S CB -0.703 62.517 63.200 0.034 0.000 0.786 82 S HN 0.745 nan 8.310 nan 0.000 0.492 83 H N 1.563 120.615 119.070 -0.030 0.000 2.395 83 H HA 0.216 4.772 4.556 -0.000 0.000 0.299 83 H C 2.357 177.671 175.328 -0.022 0.000 1.070 83 H CA 1.454 57.484 56.048 -0.030 0.000 1.356 83 H CB -0.090 29.649 29.762 -0.038 0.000 1.401 83 H HN 0.318 nan 8.280 nan 0.000 0.524 84 R N -0.611 119.903 120.500 0.022 0.000 2.117 84 R HA -0.134 4.205 4.340 -0.000 0.000 0.243 84 R C 2.486 178.822 176.300 0.060 0.000 1.143 84 R CA 1.187 57.317 56.100 0.050 0.000 0.968 84 R CB -0.577 29.721 30.300 -0.003 0.000 0.863 84 R HN 0.465 nan 8.270 nan 0.000 0.444 85 G N 1.006 109.820 108.800 0.025 0.000 2.421 85 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 85 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 85 G C 1.355 176.240 174.900 -0.025 0.000 1.171 85 G CA 0.242 45.360 45.100 0.030 0.000 0.775 85 G HN 0.142 nan 8.290 nan 0.000 0.543 86 R N 0.280 120.709 120.500 -0.119 0.000 2.096 86 R HA -0.018 4.322 4.340 -0.000 0.000 0.240 86 R C 2.642 178.825 176.300 -0.195 0.000 1.139 86 R CA 0.817 56.808 56.100 -0.183 0.000 0.952 86 R CB -1.218 28.885 30.300 -0.328 0.000 0.854 86 R HN 0.403 nan 8.270 nan 0.000 0.436 87 L N 0.455 121.503 121.223 -0.293 0.000 2.046 87 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 87 L C 2.569 179.422 176.870 -0.029 0.000 1.077 87 L CA 1.041 55.669 54.840 -0.354 0.000 0.747 87 L CB -0.453 41.145 42.059 -0.769 0.000 0.896 87 L HN 0.133 nan 8.230 nan 0.000 0.432 88 L N -0.386 120.935 121.223 0.163 0.000 2.083 88 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 88 L C 2.383 179.354 176.870 0.168 0.000 1.083 88 L CA 1.046 56.057 54.840 0.285 0.000 0.752 88 L CB -0.539 41.680 42.059 0.267 0.000 0.899 88 L HN 0.366 nan 8.230 nan 0.000 0.433 89 N N -0.122 118.630 118.700 0.087 0.000 2.188 89 N HA -0.191 4.549 4.740 -0.000 0.000 0.184 89 N C 1.928 177.472 175.510 0.056 0.000 1.018 89 N CA 0.950 54.037 53.050 0.061 0.000 0.858 89 N CB -0.172 38.329 38.487 0.024 0.000 0.989 89 N HN 0.171 nan 8.380 nan 0.000 0.426 90 R N 1.208 121.729 120.500 0.034 0.000 2.073 90 R HA -0.049 4.290 4.340 -0.000 0.000 0.234 90 R C 2.104 178.456 176.300 0.086 0.000 1.134 90 R CA 0.903 57.024 56.100 0.036 0.000 0.952 90 R CB -0.979 29.315 30.300 -0.009 0.000 0.850 90 R HN 0.159 nan 8.270 nan 0.000 0.433 91 L N 0.368 121.680 121.223 0.149 0.000 2.013 91 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 91 L C 2.140 179.085 176.870 0.124 0.000 1.073 91 L CA 2.376 57.320 54.840 0.174 0.000 0.753 91 L CB -1.097 41.118 42.059 0.260 0.000 0.890 91 L HN 0.306 nan 8.230 nan 0.000 0.432 92 A N -0.830 122.061 122.820 0.119 0.000 1.883 92 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 92 A C 2.002 179.636 177.584 0.082 0.000 1.186 92 A CA 1.919 54.015 52.037 0.099 0.000 0.624 92 A CB -0.930 18.128 19.000 0.098 0.000 0.822 92 A HN 0.553 nan 8.150 nan 0.000 0.444 93 D N 0.182 120.626 120.400 0.073 0.000 2.104 93 D HA -0.151 4.488 4.640 -0.000 0.000 0.194 93 D C 1.953 178.296 176.300 0.071 0.000 0.994 93 D CA 1.262 55.299 54.000 0.063 0.000 0.830 93 D CB -0.435 40.395 40.800 0.050 0.000 0.959 93 D HN 0.471 nan 8.370 nan 0.000 0.452 94 L N 0.339 121.609 121.223 0.078 0.000 2.046 94 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 94 L C 2.576 179.516 176.870 0.116 0.000 1.077 94 L CA 0.691 55.583 54.840 0.087 0.000 0.747 94 L CB -0.334 41.771 42.059 0.078 0.000 0.896 94 L HN 0.030 nan 8.230 nan 0.000 0.432 95 I N -0.128 120.511 120.570 0.116 0.000 2.226 95 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 95 I C 2.633 178.815 176.117 0.108 0.000 1.100 95 I CA 1.399 62.778 61.300 0.132 0.000 1.374 95 I CB -0.208 37.858 38.000 0.110 0.000 1.057 95 I HN 0.335 nan 8.210 nan 0.000 0.413 96 E N 1.208 121.455 120.200 0.080 0.000 2.077 96 E HA -0.286 4.064 4.350 -0.000 0.000 0.193 96 E C 2.391 179.041 176.600 0.083 0.000 0.989 96 E CA 1.112 57.547 56.400 0.059 0.000 0.800 96 E CB -0.069 29.660 29.700 0.048 0.000 0.746 96 E HN 0.248 nan 8.360 nan 0.000 0.452 97 R N 0.307 120.862 120.500 0.092 0.000 2.103 97 R HA -0.165 4.175 4.340 -0.000 0.000 0.242 97 R C 0.375 176.750 176.300 0.126 0.000 1.142 97 R CA 1.934 58.093 56.100 0.098 0.000 0.960 97 R CB -0.049 30.302 30.300 0.085 0.000 0.858 97 R HN 0.149 nan 8.270 nan 0.000 0.439 98 D N -0.440 120.055 120.400 0.159 0.000 2.491 98 D HA 0.026 4.666 4.640 -0.000 0.000 0.228 98 D C 1.082 177.516 176.300 0.223 0.000 1.183 98 D CA -0.051 54.073 54.000 0.206 0.000 0.827 98 D CB 0.241 41.214 40.800 0.288 0.000 0.989 98 D HN 0.271 nan 8.370 nan 0.000 0.494 99 R N 0.395 120.996 120.500 0.169 0.000 2.083 99 R HA -0.131 4.209 4.340 -0.000 0.000 0.237 99 R C 1.415 177.854 176.300 0.232 0.000 1.137 99 R CA 1.595 57.762 56.100 0.112 0.000 0.951 99 R CB -0.085 30.207 30.300 -0.013 0.000 0.851 99 R HN -0.038 nan 8.270 nan 0.000 0.434 100 T N 0.214 114.992 114.554 0.374 0.000 2.708 100 T HA -0.213 4.137 4.350 -0.000 0.000 0.266 100 T C 1.394 176.325 174.700 0.386 0.000 1.037 100 T CA 1.634 64.022 62.100 0.480 0.000 1.146 100 T CB -0.560 68.530 68.868 0.369 0.000 0.865 100 T HN 0.409 nan 8.240 nan 0.000 0.435 101 Y N 1.670 122.069 120.300 0.165 0.000 2.128 101 Y HA -0.120 4.430 4.550 -0.000 0.000 0.284 101 Y C 2.036 177.978 175.900 0.071 0.000 1.154 101 Y CA 1.202 59.349 58.100 0.079 0.000 1.149 101 Y CB -0.595 37.850 38.460 -0.026 0.000 0.976 101 Y HN 0.123 nan 8.280 nan 0.000 0.505 102 L N -0.395 120.818 121.223 -0.017 0.000 2.056 102 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 102 L C 2.781 179.622 176.870 -0.049 0.000 1.078 102 L CA 1.097 55.865 54.840 -0.120 0.000 0.749 102 L CB -0.883 41.212 42.059 0.060 0.000 0.901 102 L HN 0.365 nan 8.230 nan 0.000 0.433 103 A N -0.113 122.761 122.820 0.089 0.000 1.933 103 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 103 A C 2.488 180.230 177.584 0.263 0.000 1.175 103 A CA 1.780 53.900 52.037 0.139 0.000 0.628 103 A CB -0.653 18.448 19.000 0.168 0.000 0.814 103 A HN 0.420 nan 8.150 nan 0.000 0.444 104 A N -0.610 122.421 122.820 0.351 0.000 1.873 104 A HA 0.016 4.336 4.320 -0.000 0.000 0.215 104 A C 2.110 179.786 177.584 0.153 0.000 1.186 104 A CA 1.636 53.898 52.037 0.376 0.000 0.616 104 A CB -0.649 18.477 19.000 0.211 0.000 0.823 104 A HN 0.629 nan 8.150 nan 0.000 0.442 105 L N 0.001 121.146 121.223 -0.129 0.000 2.079 105 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 105 L C 2.246 179.064 176.870 -0.086 0.000 1.081 105 L CA 2.701 57.423 54.840 -0.197 0.000 0.752 105 L CB -0.658 41.112 42.059 -0.481 0.000 0.896 105 L HN 0.529 nan 8.230 nan 0.000 0.433 106 E N -1.077 119.082 120.200 -0.067 0.000 2.038 106 E HA -0.205 4.144 4.350 -0.000 0.000 0.195 106 E C 2.067 178.623 176.600 -0.072 0.000 1.000 106 E CA 2.121 58.490 56.400 -0.052 0.000 0.803 106 E CB -0.398 29.277 29.700 -0.041 0.000 0.750 106 E HN 0.480 nan 8.360 nan 0.000 0.448 107 T N 0.691 115.194 114.554 -0.085 0.000 2.746 107 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 107 T C 1.728 176.315 174.700 -0.189 0.000 1.039 107 T CA 1.208 63.179 62.100 -0.216 0.000 1.142 107 T CB -0.375 68.224 68.868 -0.448 0.000 0.866 107 T HN 0.121 nan 8.240 nan 0.000 0.444 108 L N 1.175 122.374 121.223 -0.039 0.000 2.042 108 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 108 L C 2.034 178.900 176.870 -0.007 0.000 1.076 108 L CA 1.905 56.783 54.840 0.063 0.000 0.749 108 L CB -0.363 41.771 42.059 0.125 0.000 0.893 108 L HN 0.096 nan 8.230 nan 0.000 0.432 109 D N -1.793 118.589 120.400 -0.031 0.000 2.240 109 D HA -0.125 4.515 4.640 -0.000 0.000 0.206 109 D C 1.857 178.127 176.300 -0.049 0.000 0.963 109 D CA 0.649 54.629 54.000 -0.033 0.000 0.863 109 D CB 0.036 40.822 40.800 -0.023 0.000 0.973 109 D HN 0.432 nan 8.370 nan 0.000 0.501 110 N N -0.532 118.128 118.700 -0.067 0.000 2.436 110 N HA -0.016 4.724 4.740 -0.000 0.000 0.178 110 N C 1.392 176.828 175.510 -0.124 0.000 1.026 110 N CA 1.731 54.735 53.050 -0.078 0.000 0.880 110 N CB 0.842 39.284 38.487 -0.075 0.000 1.061 110 N HN 0.242 nan 8.380 nan 0.000 0.434 111 G N 1.363 110.072 108.800 -0.151 0.000 2.253 111 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.209 111 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.209 111 G C -0.097 174.684 174.900 -0.198 0.000 0.997 111 G CA 0.321 45.312 45.100 -0.181 0.000 0.640 111 G HN 0.692 nan 8.290 nan 0.000 0.496 112 K N 1.160 121.433 120.400 -0.211 0.000 2.414 112 K HA 0.458 4.778 4.320 -0.000 0.000 0.272 112 K C -2.659 173.821 176.600 -0.199 0.000 0.993 112 K CA -1.185 54.965 56.287 -0.228 0.000 0.964 112 K CB 0.484 32.811 32.500 -0.289 0.000 0.925 112 K HN 0.075 nan 8.250 nan 0.000 0.487 113 P HA -0.118 nan 4.420 nan 0.000 0.264 113 P C -0.347 176.905 177.300 -0.081 0.000 1.193 113 P CA 0.006 63.046 63.100 -0.099 0.000 0.763 113 P CB 0.131 31.805 31.700 -0.043 0.000 0.810 114 Y N 4.584 124.759 120.300 -0.209 0.000 2.256 114 Y HA -0.238 4.312 4.550 -0.000 0.000 0.288 114 Y C 1.713 177.630 175.900 0.029 0.000 1.155 114 Y CA 1.673 59.699 58.100 -0.123 0.000 1.203 114 Y CB -0.707 37.700 38.460 -0.089 0.000 0.980 114 Y HN 0.078 nan 8.280 nan 0.000 0.530 115 V N 0.309 120.179 119.914 -0.072 0.000 2.407 115 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 115 V C 2.312 178.373 176.094 -0.055 0.000 1.055 115 V CA 1.660 63.899 62.300 -0.101 0.000 1.049 115 V CB -0.581 31.258 31.823 0.028 0.000 0.662 115 V HN 0.429 nan 8.190 nan 0.000 0.455 116 I N -0.229 120.329 120.570 -0.021 0.000 2.286 116 I HA -0.114 4.055 4.170 -0.000 0.000 0.245 116 I C 2.590 178.714 176.117 0.013 0.000 1.104 116 I CA 1.290 62.617 61.300 0.045 0.000 1.397 116 I CB -1.397 36.631 38.000 0.046 0.000 1.072 116 I HN 0.258 nan 8.210 nan 0.000 0.417 117 S N 0.286 115.947 115.700 -0.066 0.000 2.374 117 S HA -0.256 4.214 4.470 -0.000 0.000 0.227 117 S C 2.038 176.594 174.600 -0.073 0.000 1.037 117 S CA 1.642 59.802 58.200 -0.068 0.000 1.024 117 S CB -0.506 62.647 63.200 -0.078 0.000 0.861 117 S HN 0.477 nan 8.310 nan 0.000 0.456 118 Y N 1.332 121.463 120.300 -0.282 0.000 2.176 118 Y HA 0.091 4.641 4.550 -0.000 0.000 0.291 118 Y C 1.911 177.746 175.900 -0.108 0.000 1.122 118 Y CA 1.275 59.222 58.100 -0.254 0.000 1.128 118 Y CB -0.154 38.014 38.460 -0.486 0.000 1.005 118 Y HN 0.113 nan 8.280 nan 0.000 0.509 119 L N -1.401 119.884 121.223 0.102 0.000 2.270 119 L HA -0.069 4.271 4.340 -0.000 0.000 0.210 119 L C 1.708 178.603 176.870 0.042 0.000 1.104 119 L CA 0.373 55.268 54.840 0.092 0.000 0.804 119 L CB -0.167 41.973 42.059 0.135 0.000 0.937 119 L HN 0.155 nan 8.230 nan 0.000 0.450 120 V N -0.894 119.059 119.914 0.065 0.000 2.868 120 V HA -0.063 4.057 4.120 -0.000 0.000 0.227 120 V C 1.678 177.822 176.094 0.083 0.000 1.136 120 V CA 0.981 63.346 62.300 0.109 0.000 1.206 120 V CB -0.225 31.741 31.823 0.238 0.000 0.997 120 V HN 0.187 nan 8.190 nan 0.000 0.505 121 D N 0.688 121.145 120.400 0.094 0.000 2.116 121 D HA -0.206 4.434 4.640 -0.000 0.000 0.193 121 D C 1.976 178.284 176.300 0.013 0.000 0.998 121 D CA 1.579 55.622 54.000 0.072 0.000 0.836 121 D CB -0.228 40.609 40.800 0.061 0.000 0.951 121 D HN 0.229 nan 8.370 nan 0.000 0.449 122 L N 0.001 121.199 121.223 -0.042 0.000 2.109 122 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 122 L C 1.869 178.704 176.870 -0.060 0.000 1.086 122 L CA 1.068 55.864 54.840 -0.073 0.000 0.760 122 L CB -0.149 41.808 42.059 -0.171 0.000 0.910 122 L HN -0.029 nan 8.230 nan 0.000 0.437 123 D N -0.400 119.961 120.400 -0.066 0.000 2.097 123 D HA -0.221 4.418 4.640 -0.000 0.000 0.195 123 D C 2.280 178.597 176.300 0.028 0.000 0.989 123 D CA 1.504 55.488 54.000 -0.027 0.000 0.827 123 D CB 0.064 40.855 40.800 -0.014 0.000 0.966 123 D HN 0.168 nan 8.370 nan 0.000 0.456 124 M N -0.491 119.137 119.600 0.047 0.000 2.159 124 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 124 M C 2.252 178.626 176.300 0.123 0.000 1.063 124 M CA 0.676 56.029 55.300 0.090 0.000 1.110 124 M CB -0.128 32.520 32.600 0.079 0.000 1.374 124 M HN -0.009 nan 8.290 nan 0.000 0.411 125 V N 1.140 121.105 119.914 0.086 0.000 2.287 125 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 125 V C 2.334 178.499 176.094 0.118 0.000 1.053 125 V CA 1.810 64.172 62.300 0.104 0.000 1.027 125 V CB -0.625 31.235 31.823 0.062 0.000 0.646 125 V HN 0.454 nan 8.190 nan 0.000 0.447 126 L N -0.703 120.569 121.223 0.082 0.000 2.046 126 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 126 L C 2.570 179.503 176.870 0.104 0.000 1.077 126 L CA 1.764 56.653 54.840 0.082 0.000 0.747 126 L CB -0.618 41.469 42.059 0.046 0.000 0.896 126 L HN 0.279 nan 8.230 nan 0.000 0.432 127 K N -0.879 119.581 120.400 0.100 0.000 2.097 127 K HA -0.188 4.132 4.320 -0.000 0.000 0.205 127 K C 2.311 179.000 176.600 0.147 0.000 1.050 127 K CA 1.497 57.847 56.287 0.105 0.000 0.938 127 K CB -0.458 32.088 32.500 0.077 0.000 0.718 127 K HN 0.386 nan 8.250 nan 0.000 0.442 128 C N 1.326 120.734 119.300 0.181 0.000 2.436 128 C HA -0.086 4.374 4.460 -0.000 0.000 0.277 128 C C 2.430 177.622 174.990 0.337 0.000 1.241 128 C CA 0.715 59.886 59.018 0.254 0.000 1.721 128 C CB -0.945 27.005 27.740 0.349 0.000 2.043 128 C HN 0.397 nan 8.230 nan 0.000 0.472 129 L N 0.236 121.621 121.223 0.270 0.000 2.046 129 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 129 L C 3.023 180.027 176.870 0.224 0.000 1.077 129 L CA 1.820 56.812 54.840 0.254 0.000 0.747 129 L CB -0.744 41.426 42.059 0.184 0.000 0.896 129 L HN 0.353 nan 8.230 nan 0.000 0.432 130 R N -1.289 119.314 120.500 0.173 0.000 2.092 130 R HA -0.193 4.147 4.340 -0.000 0.000 0.231 130 R C 2.276 178.640 176.300 0.106 0.000 1.119 130 R CA 1.438 57.611 56.100 0.121 0.000 0.970 130 R CB -0.414 29.940 30.300 0.091 0.000 0.864 130 R HN 0.275 nan 8.270 nan 0.000 0.440 131 Y N 0.104 120.404 120.300 0.000 0.000 2.114 131 Y HA -0.282 4.268 4.550 -0.000 0.000 0.284 131 Y C 1.674 177.519 175.900 -0.092 0.000 1.143 131 Y CA 1.570 59.605 58.100 -0.108 0.000 1.135 131 Y CB -0.463 37.880 38.460 -0.195 0.000 0.980 131 Y HN 0.010 nan 8.280 nan 0.000 0.499 132 Y N -0.228 120.179 120.300 0.177 0.000 2.352 132 Y HA -0.162 4.388 4.550 -0.000 0.000 0.292 132 Y C 2.607 178.551 175.900 0.073 0.000 1.136 132 Y CA 0.767 58.949 58.100 0.137 0.000 1.227 132 Y CB -0.555 38.022 38.460 0.195 0.000 0.991 132 Y HN 0.294 nan 8.280 nan 0.000 0.545 133 A N 0.195 123.123 122.820 0.180 0.000 1.908 133 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 133 A C 2.516 180.115 177.584 0.025 0.000 1.181 133 A CA 1.857 53.963 52.037 0.115 0.000 0.627 133 A CB -1.469 17.581 19.000 0.085 0.000 0.818 133 A HN 0.477 nan 8.150 nan 0.000 0.445 134 G N -2.437 106.302 108.800 -0.101 0.000 2.471 134 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.219 134 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.219 134 G C 1.328 176.074 174.900 -0.256 0.000 1.125 134 G CA 0.709 45.671 45.100 -0.230 0.000 0.775 134 G HN 0.692 nan 8.290 nan 0.000 0.548 135 W N 0.559 121.757 121.300 -0.170 0.000 2.678 135 W HA 0.294 4.954 4.660 -0.000 0.000 0.256 135 W C 2.737 179.238 176.519 -0.030 0.000 1.280 135 W CA 0.181 57.456 57.345 -0.116 0.000 1.345 135 W CB 0.331 29.738 29.460 -0.088 0.000 1.118 135 W HN 0.243 nan 8.180 nan 0.000 0.629 136 A N 0.934 123.886 122.820 0.220 0.000 1.948 136 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 136 A C 1.276 178.934 177.584 0.123 0.000 1.177 136 A CA 2.248 54.382 52.037 0.162 0.000 0.636 136 A CB -0.719 18.348 19.000 0.111 0.000 0.815 136 A HN 0.352 nan 8.150 nan 0.000 0.449 137 D N -2.344 118.112 120.400 0.093 0.000 2.593 137 D HA 0.218 4.858 4.640 -0.000 0.000 0.241 137 D C 0.466 176.784 176.300 0.030 0.000 1.257 137 D CA -0.068 53.966 54.000 0.057 0.000 0.828 137 D CB 0.049 40.870 40.800 0.035 0.000 1.049 137 D HN 0.424 nan 8.370 nan 0.000 0.490 138 K N -0.639 119.805 120.400 0.073 0.000 2.517 138 K HA 0.055 4.375 4.320 -0.000 0.000 0.210 138 K C -0.503 176.035 176.600 -0.105 0.000 1.166 138 K CA -0.460 55.791 56.287 -0.060 0.000 1.030 138 K CB 0.878 33.384 32.500 0.009 0.000 0.974 138 K HN -0.032 nan 8.250 nan 0.000 0.585 139 Y N 2.857 123.108 120.300 -0.082 0.000 2.724 139 Y HA 0.150 4.700 4.550 -0.000 0.000 0.332 139 Y C -0.482 175.333 175.900 -0.142 0.000 1.276 139 Y CA -1.285 56.766 58.100 -0.081 0.000 1.597 139 Y CB -0.923 37.520 38.460 -0.028 0.000 1.584 139 Y HN 0.078 nan 8.280 nan 0.000 0.478 140 H N 0.903 119.903 119.070 -0.116 0.000 2.790 140 H HA 0.378 4.934 4.556 -0.000 0.000 0.358 140 H C 0.962 175.857 175.328 -0.722 0.000 1.103 140 H CA 0.454 56.340 56.048 -0.270 0.000 1.426 140 H CB 0.749 30.428 29.762 -0.138 0.000 1.424 140 H HN 0.706 nan 8.280 nan 0.000 0.599 141 G N 0.886 109.338 108.800 -0.580 0.000 2.510 141 G HA2 0.412 4.372 3.960 -0.000 0.000 0.280 141 G HA3 0.412 4.372 3.960 -0.000 0.000 0.280 141 G C -0.700 174.047 174.900 -0.256 0.000 1.386 141 G CA -0.870 43.789 45.100 -0.735 0.000 1.047 141 G HN 0.538 nan 8.290 nan 0.000 0.527 142 K N -0.500 119.834 120.400 -0.111 0.000 2.375 142 K HA 0.509 4.829 4.320 -0.000 0.000 0.249 142 K C -0.665 175.969 176.600 0.056 0.000 0.942 142 K CA -0.635 55.639 56.287 -0.022 0.000 0.806 142 K CB 2.094 34.592 32.500 -0.004 0.000 1.227 142 K HN 0.614 nan 8.250 nan 0.000 0.430 143 T N -0.630 113.970 114.554 0.077 0.000 2.829 143 T HA 0.624 4.974 4.350 -0.000 0.000 0.282 143 T C 0.045 174.821 174.700 0.126 0.000 0.990 143 T CA -0.725 61.474 62.100 0.164 0.000 1.028 143 T CB 0.250 69.259 68.868 0.235 0.000 0.951 143 T HN 0.393 nan 8.240 nan 0.000 0.460 144 I N 4.360 125.011 120.570 0.135 0.000 2.466 144 I HA 0.346 4.515 4.170 -0.000 0.000 0.289 144 I C -2.174 174.010 176.117 0.111 0.000 1.026 144 I CA -2.773 58.579 61.300 0.087 0.000 1.078 144 I CB 2.820 40.843 38.000 0.039 0.000 1.249 144 I HN 0.489 nan 8.210 nan 0.000 0.429 145 P HA 0.220 nan 4.420 nan 0.000 0.225 145 P C -0.064 177.286 177.300 0.083 0.000 1.813 145 P CA 0.046 63.202 63.100 0.093 0.000 1.013 145 P CB 0.218 31.957 31.700 0.066 0.000 1.961 146 I N 1.189 121.817 120.570 0.097 0.000 2.779 146 I HA 0.064 4.234 4.170 -0.000 0.000 0.285 146 I C 0.232 176.420 176.117 0.118 0.000 1.134 146 I CA -0.181 61.167 61.300 0.081 0.000 1.398 146 I CB 0.723 38.757 38.000 0.056 0.000 1.404 146 I HN 0.036 nan 8.210 nan 0.000 0.587 147 D N 4.656 125.115 120.400 0.098 0.000 2.423 147 D HA 0.414 5.054 4.640 -0.000 0.000 0.238 147 D C 0.361 176.804 176.300 0.239 0.000 1.142 147 D CA 1.201 55.274 54.000 0.122 0.000 0.884 147 D CB 0.742 41.594 40.800 0.086 0.000 1.199 147 D HN 0.934 nan 8.370 nan 0.000 0.438 148 G N 1.687 110.608 108.800 0.202 0.000 2.757 148 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.638 148 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.638 148 G C -0.766 174.170 174.900 0.059 0.000 1.344 148 G CA -0.772 44.460 45.100 0.220 0.000 0.855 148 G HN 0.502 nan 8.290 nan 0.000 0.537 149 D N 0.985 121.173 120.400 -0.353 0.000 2.608 149 D HA 0.468 5.108 4.640 -0.000 0.000 0.224 149 D C -0.101 175.725 176.300 -0.790 0.000 1.123 149 D CA 1.015 54.737 54.000 -0.465 0.000 1.030 149 D CB -0.519 40.033 40.800 -0.413 0.000 1.093 149 D HN 0.278 nan 8.370 nan 0.000 0.497 150 F N 0.371 120.365 119.950 0.074 0.000 2.613 150 F HA 0.372 4.899 4.527 -0.000 0.000 0.310 150 F C -0.373 175.542 175.800 0.192 0.000 1.085 150 F CA -1.464 56.598 58.000 0.103 0.000 0.945 150 F CB 1.527 40.560 39.000 0.056 0.000 1.298 150 F HN -0.142 nan 8.300 nan 0.000 0.455 151 F N 2.076 122.166 119.950 0.234 0.000 2.388 151 F HA 0.680 5.207 4.527 -0.000 0.000 0.358 151 F C -0.498 175.419 175.800 0.196 0.000 1.122 151 F CA -1.044 57.068 58.000 0.186 0.000 1.056 151 F CB 1.130 40.229 39.000 0.164 0.000 1.155 151 F HN 0.283 nan 8.300 nan 0.000 0.461 152 S N 6.729 122.415 115.700 -0.024 0.000 2.500 152 S HA 0.800 5.270 4.470 -0.000 0.000 0.301 152 S C -1.433 173.025 174.600 -0.237 0.000 1.092 152 S CA -0.291 57.770 58.200 -0.232 0.000 1.030 152 S CB 0.649 63.793 63.200 -0.094 0.000 1.031 152 S HN 0.701 nan 8.310 nan 0.000 0.483 153 Y N 0.043 120.105 120.300 -0.398 0.000 2.670 153 Y HA 0.771 5.321 4.550 -0.000 0.000 0.334 153 Y C -0.602 175.199 175.900 -0.166 0.000 1.185 153 Y CA -1.077 56.861 58.100 -0.269 0.000 1.053 153 Y CB 0.794 39.047 38.460 -0.345 0.000 1.298 153 Y HN 0.532 nan 8.280 nan 0.000 0.459 154 T N -0.367 114.243 114.554 0.094 0.000 2.856 154 T HA 0.703 5.052 4.350 -0.000 0.000 0.283 154 T C -0.835 173.958 174.700 0.154 0.000 1.008 154 T CA -1.072 61.058 62.100 0.051 0.000 0.997 154 T CB 1.695 70.606 68.868 0.073 0.000 0.992 154 T HN 0.798 nan 8.240 nan 0.000 0.454 155 R N 1.276 121.861 120.500 0.142 0.000 2.346 155 R HA 0.329 4.669 4.340 -0.000 0.000 0.311 155 R C -0.275 176.172 176.300 0.245 0.000 0.983 155 R CA -0.689 55.507 56.100 0.160 0.000 0.880 155 R CB 0.920 31.305 30.300 0.142 0.000 1.100 155 R HN 0.724 nan 8.270 nan 0.000 0.453 156 H N 2.415 121.506 119.070 0.034 0.000 2.872 156 H HA 0.117 4.673 4.556 -0.000 0.000 0.273 156 H C -0.278 175.103 175.328 0.088 0.000 1.205 156 H CA -0.322 55.752 56.048 0.042 0.000 1.342 156 H CB 0.856 30.611 29.762 -0.010 0.000 1.469 156 H HN 0.395 nan 8.280 nan 0.000 0.487 157 E N 4.106 124.418 120.200 0.187 0.000 2.250 157 E HA 0.234 4.584 4.350 -0.000 0.000 0.265 157 E C -2.450 174.266 176.600 0.192 0.000 1.033 157 E CA -2.287 54.215 56.400 0.170 0.000 0.888 157 E CB 1.097 30.885 29.700 0.146 0.000 1.151 157 E HN 0.381 nan 8.360 nan 0.000 0.412 158 P HA -0.057 nan 4.420 nan 0.000 0.271 158 P C 0.606 178.034 177.300 0.214 0.000 1.216 158 P CA 0.021 63.287 63.100 0.277 0.000 0.776 158 P CB 0.752 32.732 31.700 0.466 0.000 0.881 159 V N 2.354 122.332 119.914 0.105 0.000 2.626 159 V HA 0.010 4.130 4.120 -0.000 0.000 0.252 159 V C 1.131 177.160 176.094 -0.109 0.000 1.067 159 V CA 2.748 65.056 62.300 0.013 0.000 1.081 159 V CB -1.174 30.632 31.823 -0.028 0.000 0.686 159 V HN 0.977 nan 8.190 nan 0.000 0.468 160 G N -0.951 107.666 108.800 -0.306 0.000 2.390 160 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.202 160 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.202 160 G C -0.389 174.112 174.900 -0.665 0.000 1.210 160 G CA -0.220 44.295 45.100 -0.974 0.000 1.271 160 G HN 0.574 nan 8.290 nan 0.000 0.543 161 V N 1.314 120.955 119.914 -0.455 0.000 2.405 161 V HA 0.412 4.532 4.120 -0.000 0.000 0.264 161 V C 0.373 176.393 176.094 -0.124 0.000 1.048 161 V CA -0.101 62.057 62.300 -0.235 0.000 0.966 161 V CB 0.280 32.000 31.823 -0.172 0.000 1.015 161 V HN 0.813 nan 8.190 nan 0.000 0.477 162 C N 4.954 124.219 119.300 -0.058 0.000 2.264 162 C HA 0.668 5.128 4.460 -0.000 0.000 0.324 162 C C 1.073 176.076 174.990 0.021 0.000 1.267 162 C CA -1.017 58.011 59.018 0.017 0.000 1.618 162 C CB 0.264 28.096 27.740 0.155 0.000 2.278 162 C HN 0.988 nan 8.230 nan 0.000 0.499 163 G N 3.096 111.906 108.800 0.017 0.000 2.370 163 G HA2 0.500 4.460 3.960 -0.000 0.000 0.272 163 G HA3 0.500 4.460 3.960 -0.000 0.000 0.272 163 G C -0.740 174.204 174.900 0.074 0.000 1.208 163 G CA -0.094 45.026 45.100 0.033 0.000 0.856 163 G HN 0.811 nan 8.290 nan 0.000 0.500 164 Q N 1.405 121.252 119.800 0.079 0.000 2.310 164 Q HA 0.448 4.787 4.340 -0.000 0.000 0.270 164 Q C -0.909 175.147 176.000 0.092 0.000 1.025 164 Q CA -0.449 55.413 55.803 0.098 0.000 0.772 164 Q CB 2.782 31.573 28.738 0.088 0.000 1.253 164 Q HN 0.513 nan 8.270 nan 0.000 0.450 165 I N 4.809 125.448 120.570 0.115 0.000 2.410 165 I HA 0.465 4.635 4.170 -0.000 0.000 0.286 165 I C -0.259 175.843 176.117 -0.024 0.000 1.009 165 I CA -0.773 60.597 61.300 0.118 0.000 1.111 165 I CB 1.129 39.317 38.000 0.314 0.000 1.262 165 I HN 0.530 nan 8.210 nan 0.000 0.443 166 I N 4.962 125.507 120.570 -0.041 0.000 2.693 166 I HA 0.769 4.938 4.170 -0.000 0.000 0.303 166 I C -2.752 173.293 176.117 -0.122 0.000 1.025 166 I CA -2.266 58.964 61.300 -0.117 0.000 1.086 166 I CB 2.101 40.061 38.000 -0.065 0.000 1.268 166 I HN 0.188 nan 8.210 nan 0.000 0.440 167 P HA 0.249 nan 4.420 nan 0.000 0.317 167 P C -0.108 177.095 177.300 -0.162 0.000 1.307 167 P CA -0.282 62.657 63.100 -0.267 0.000 0.749 167 P CB 0.377 31.781 31.700 -0.493 0.000 1.377 168 W N -0.195 121.097 121.300 -0.015 0.000 3.177 168 W HA 0.104 4.764 4.660 -0.000 0.000 0.309 168 W C 0.710 177.193 176.519 -0.059 0.000 1.224 168 W CA 0.175 57.502 57.345 -0.030 0.000 1.718 168 W CB -1.400 28.042 29.460 -0.030 0.000 1.078 168 W HN 0.210 nan 8.180 nan 0.000 0.618 169 N N 1.847 120.387 118.700 -0.268 0.000 2.270 169 N HA -0.148 4.592 4.740 -0.000 0.000 0.181 169 N C -0.157 175.064 175.510 -0.482 0.000 1.016 169 N CA 0.722 53.615 53.050 -0.261 0.000 0.870 169 N CB -1.030 37.216 38.487 -0.402 0.000 0.979 169 N HN 0.064 nan 8.380 nan 0.000 0.431 170 F N -0.196 119.640 119.950 -0.190 0.000 2.646 170 F HA 0.439 4.966 4.527 -0.000 0.000 0.336 170 F C -1.827 173.860 175.800 -0.188 0.000 1.437 170 F CA -2.083 55.790 58.000 -0.212 0.000 1.142 170 F CB 2.081 40.871 39.000 -0.349 0.000 1.530 170 F HN -0.174 nan 8.300 nan 0.000 0.591 171 P HA -0.194 nan 4.420 nan 0.000 0.213 171 P C 1.992 179.288 177.300 -0.007 0.000 1.170 171 P CA 1.639 64.743 63.100 0.006 0.000 0.902 171 P CB 0.424 32.138 31.700 0.023 0.000 0.789 172 L N -1.830 119.392 121.223 -0.001 0.000 2.017 172 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 172 L C 2.455 179.305 176.870 -0.034 0.000 1.073 172 L CA 1.031 55.872 54.840 0.002 0.000 0.745 172 L CB -1.008 41.061 42.059 0.016 0.000 0.894 172 L HN -0.018 nan 8.230 nan 0.000 0.432 173 L N -0.559 120.616 121.223 -0.081 0.000 2.046 173 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 173 L C 2.503 179.128 176.870 -0.408 0.000 1.077 173 L CA 1.843 56.537 54.840 -0.244 0.000 0.747 173 L CB -0.426 41.410 42.059 -0.373 0.000 0.896 173 L HN 0.183 nan 8.230 nan 0.000 0.432 174 M N -1.222 118.174 119.600 -0.341 0.000 2.159 174 M HA -0.234 4.246 4.480 -0.000 0.000 0.263 174 M C 2.260 178.516 176.300 -0.073 0.000 1.063 174 M CA 1.710 56.845 55.300 -0.275 0.000 1.110 174 M CB -1.055 31.429 32.600 -0.193 0.000 1.374 174 M HN 0.504 nan 8.290 nan 0.000 0.411 175 Q N 0.406 120.179 119.800 -0.045 0.000 2.084 175 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 175 Q C 2.043 178.063 176.000 0.034 0.000 0.978 175 Q CA 1.909 57.711 55.803 -0.002 0.000 0.844 175 Q CB -0.003 28.735 28.738 -0.001 0.000 0.898 175 Q HN 0.484 nan 8.270 nan 0.000 0.426 176 A N 0.016 122.875 122.820 0.064 0.000 1.873 176 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 176 A C 1.524 179.275 177.584 0.278 0.000 1.186 176 A CA 1.122 53.251 52.037 0.152 0.000 0.616 176 A CB -1.127 17.984 19.000 0.185 0.000 0.823 176 A HN 0.629 nan 8.150 nan 0.000 0.442 177 W N 0.602 121.904 121.300 0.003 0.000 2.364 177 W HA -0.070 4.590 4.660 -0.000 0.000 0.281 177 W C 2.091 178.582 176.519 -0.046 0.000 1.219 177 W CA 1.303 58.657 57.345 0.014 0.000 1.220 177 W CB -0.187 29.270 29.460 -0.005 0.000 1.127 177 W HN 0.269 nan 8.180 nan 0.000 0.556 178 K N -0.476 120.023 120.400 0.163 0.000 2.099 178 K HA 0.088 4.408 4.320 -0.000 0.000 0.203 178 K C 2.048 178.569 176.600 -0.132 0.000 1.047 178 K CA 0.660 56.967 56.287 0.033 0.000 0.963 178 K CB -0.898 31.640 32.500 0.063 0.000 0.759 178 K HN 0.203 nan 8.250 nan 0.000 0.451 179 L N 0.501 121.672 121.223 -0.087 0.000 2.093 179 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 179 L C 2.483 179.247 176.870 -0.177 0.000 1.085 179 L CA 1.240 55.994 54.840 -0.142 0.000 0.755 179 L CB -0.944 41.047 42.059 -0.113 0.000 0.904 179 L HN 0.277 nan 8.230 nan 0.000 0.435 180 G N 1.212 109.932 108.800 -0.134 0.000 2.545 180 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 180 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 180 G C -0.650 173.975 174.900 -0.459 0.000 1.218 180 G CA 0.891 45.916 45.100 -0.125 0.000 0.787 180 G HN 0.309 nan 8.290 nan 0.000 0.571 181 P HA 0.018 nan 4.420 nan 0.000 0.217 181 P C 2.020 178.887 177.300 -0.723 0.000 1.151 181 P CA 1.915 64.388 63.100 -1.045 0.000 0.828 181 P CB -0.158 30.938 31.700 -1.007 0.000 0.788 182 A N 0.122 122.421 122.820 -0.869 0.000 1.873 182 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 182 A C 2.366 179.867 177.584 -0.138 0.000 1.186 182 A CA 1.383 53.006 52.037 -0.690 0.000 0.616 182 A CB -1.551 17.099 19.000 -0.583 0.000 0.823 182 A HN 0.110 nan 8.150 nan 0.000 0.442 183 L N -0.946 120.254 121.223 -0.039 0.000 2.131 183 L HA -0.078 4.262 4.340 -0.000 0.000 0.206 183 L C 3.062 180.126 176.870 0.324 0.000 1.087 183 L CA 0.809 55.818 54.840 0.282 0.000 0.767 183 L CB -0.598 41.600 42.059 0.230 0.000 0.917 183 L HN 0.413 nan 8.230 nan 0.000 0.441 184 A N 0.384 123.295 122.820 0.153 0.000 1.948 184 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 184 A C 2.200 179.856 177.584 0.120 0.000 1.177 184 A CA 2.340 54.473 52.037 0.161 0.000 0.636 184 A CB -0.910 18.200 19.000 0.184 0.000 0.815 184 A HN 0.518 nan 8.150 nan 0.000 0.449 185 T N -4.497 110.106 114.554 0.081 0.000 3.163 185 T HA 0.437 4.787 4.350 -0.000 0.000 0.252 185 T C 1.193 175.975 174.700 0.136 0.000 1.056 185 T CA 0.928 63.088 62.100 0.101 0.000 0.947 185 T CB 0.099 69.019 68.868 0.088 0.000 1.016 185 T HN 1.718 nan 8.240 nan 0.000 0.554 186 G N 1.599 110.498 108.800 0.165 0.000 2.136 186 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.242 186 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.242 186 G C 0.019 175.238 174.900 0.531 0.000 0.989 186 G CA -0.264 44.902 45.100 0.110 0.000 0.682 186 G HN 0.583 nan 8.290 nan 0.000 0.522 187 N N -0.520 118.483 118.700 0.505 0.000 2.327 187 N HA 0.552 5.292 4.740 -0.000 0.000 0.257 187 N C 0.558 176.351 175.510 0.473 0.000 1.281 187 N CA 0.629 53.928 53.050 0.416 0.000 0.942 187 N CB 1.592 40.204 38.487 0.209 0.000 1.199 187 N HN 0.767 nan 8.380 nan 0.000 0.532 188 V N -2.176 117.843 119.914 0.175 0.000 2.864 188 V HA 0.776 4.896 4.120 -0.000 0.000 0.314 188 V C -0.032 176.042 176.094 -0.033 0.000 1.073 188 V CA -0.926 61.390 62.300 0.026 0.000 0.956 188 V CB 1.475 33.319 31.823 0.036 0.000 1.023 188 V HN 0.431 nan 8.190 nan 0.000 0.435 189 V N 1.968 121.841 119.914 -0.068 0.000 2.823 189 V HA 0.889 5.009 4.120 -0.000 0.000 0.312 189 V C -0.924 175.143 176.094 -0.044 0.000 1.072 189 V CA -0.550 61.723 62.300 -0.045 0.000 0.937 189 V CB 2.113 33.911 31.823 -0.040 0.000 1.013 189 V HN 0.935 nan 8.190 nan 0.000 0.430 190 V N 6.707 126.606 119.914 -0.026 0.000 2.378 190 V HA 0.518 4.637 4.120 -0.000 0.000 0.288 190 V C -0.050 176.053 176.094 0.016 0.000 1.016 190 V CA -0.274 62.018 62.300 -0.013 0.000 0.840 190 V CB 1.361 33.162 31.823 -0.037 0.000 0.994 190 V HN 1.034 nan 8.190 nan 0.000 0.431 191 M N 5.335 124.954 119.600 0.031 0.000 2.294 191 M HA 0.572 5.052 4.480 -0.000 0.000 0.335 191 M C -0.732 175.606 176.300 0.065 0.000 1.079 191 M CA -0.531 54.795 55.300 0.044 0.000 0.982 191 M CB 1.364 33.980 32.600 0.027 0.000 1.651 191 M HN 0.407 nan 8.290 nan 0.000 0.437 192 K N 5.269 125.712 120.400 0.072 0.000 2.293 192 K HA 0.435 4.755 4.320 -0.000 0.000 0.267 192 K C -1.185 175.458 176.600 0.072 0.000 1.010 192 K CA -0.341 55.995 56.287 0.081 0.000 0.875 192 K CB 0.982 33.536 32.500 0.091 0.000 1.106 192 K HN 0.692 nan 8.250 nan 0.000 0.450 193 V N 0.731 120.692 119.914 0.077 0.000 2.973 193 V HA 0.730 4.849 4.120 -0.000 0.000 0.314 193 V C 0.275 176.409 176.094 0.067 0.000 1.066 193 V CA -1.099 61.243 62.300 0.071 0.000 1.021 193 V CB 1.264 33.139 31.823 0.086 0.000 1.076 193 V HN 0.716 nan 8.190 nan 0.000 0.462 194 A N 2.073 124.941 122.820 0.079 0.000 2.440 194 A HA 0.340 4.660 4.320 -0.000 0.000 0.251 194 A C 1.224 178.840 177.584 0.054 0.000 1.089 194 A CA 0.257 52.350 52.037 0.094 0.000 0.779 194 A CB 0.026 19.159 19.000 0.221 0.000 1.022 194 A HN 1.145 nan 8.150 nan 0.000 0.492 195 E N 1.853 121.995 120.200 -0.096 0.000 2.153 195 E HA -0.291 4.059 4.350 -0.000 0.000 0.194 195 E C 1.070 177.694 176.600 0.041 0.000 0.988 195 E CA 1.690 57.967 56.400 -0.206 0.000 0.811 195 E CB -0.245 28.933 29.700 -0.870 0.000 0.746 195 E HN 0.810 nan 8.360 nan 0.000 0.466 196 Q N 0.769 120.563 119.800 -0.011 0.000 2.224 196 Q HA -0.041 4.299 4.340 -0.000 0.000 0.203 196 Q C 0.788 176.805 176.000 0.029 0.000 0.970 196 Q CA 1.887 57.665 55.803 -0.042 0.000 0.865 196 Q CB 0.271 28.872 28.738 -0.229 0.000 0.922 196 Q HN 0.495 nan 8.270 nan 0.000 0.445 197 T N -4.250 110.360 114.554 0.093 0.000 3.734 197 T HA 0.339 4.689 4.350 -0.000 0.000 0.238 197 T C -2.621 172.135 174.700 0.092 0.000 1.205 197 T CA -1.309 60.843 62.100 0.086 0.000 1.606 197 T CB 1.027 69.964 68.868 0.116 0.000 0.832 197 T HN -0.083 nan 8.240 nan 0.000 0.655 198 P HA 0.274 nan 4.420 nan 0.000 0.234 198 P C 1.644 178.998 177.300 0.090 0.000 1.175 198 P CA -0.100 63.069 63.100 0.116 0.000 0.801 198 P CB 0.260 32.058 31.700 0.163 0.000 0.891 199 L N 0.053 121.310 121.223 0.056 0.000 1.994 199 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 199 L C 2.626 179.555 176.870 0.099 0.000 1.071 199 L CA 2.540 57.410 54.840 0.051 0.000 0.745 199 L CB -2.096 39.966 42.059 0.005 0.000 0.892 199 L HN 0.099 nan 8.230 nan 0.000 0.431 200 T N -1.988 112.610 114.554 0.073 0.000 2.759 200 T HA -0.175 4.175 4.350 -0.000 0.000 0.269 200 T C 1.934 176.724 174.700 0.150 0.000 1.042 200 T CA 1.088 63.249 62.100 0.103 0.000 1.140 200 T CB -0.469 68.425 68.868 0.043 0.000 0.864 200 T HN 0.330 nan 8.240 nan 0.000 0.455 201 A N 1.532 124.417 122.820 0.108 0.000 1.930 201 A HA 0.206 4.526 4.320 -0.000 0.000 0.217 201 A C 2.464 180.110 177.584 0.103 0.000 1.175 201 A CA 1.186 53.275 52.037 0.087 0.000 0.627 201 A CB -0.811 18.230 19.000 0.068 0.000 0.815 201 A HN 0.556 nan 8.150 nan 0.000 0.443 202 L N -2.320 119.002 121.223 0.164 0.000 2.093 202 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 202 L C 2.567 179.602 176.870 0.276 0.000 1.085 202 L CA 1.570 56.567 54.840 0.260 0.000 0.755 202 L CB -0.620 41.583 42.059 0.239 0.000 0.904 202 L HN 0.575 nan 8.230 nan 0.000 0.435 203 Y N 0.381 120.763 120.300 0.136 0.000 2.181 203 Y HA -0.212 4.338 4.550 -0.000 0.000 0.288 203 Y C 2.413 178.378 175.900 0.108 0.000 1.146 203 Y CA 1.416 59.612 58.100 0.160 0.000 1.164 203 Y CB -0.185 38.423 38.460 0.247 0.000 0.982 203 Y HN -0.177 nan 8.280 nan 0.000 0.515 204 V N 0.417 120.400 119.914 0.115 0.000 2.469 204 V HA -0.347 3.773 4.120 -0.000 0.000 0.251 204 V C 2.609 178.585 176.094 -0.196 0.000 1.064 204 V CA 1.633 63.926 62.300 -0.012 0.000 1.066 204 V CB -1.489 30.357 31.823 0.038 0.000 0.667 204 V HN 0.586 nan 8.190 nan 0.000 0.461 205 A N 0.161 122.802 122.820 -0.298 0.000 1.933 205 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 205 A C 2.057 179.207 177.584 -0.724 0.000 1.175 205 A CA 2.209 53.783 52.037 -0.772 0.000 0.628 205 A CB -0.751 17.459 19.000 -1.316 0.000 0.814 205 A HN 0.579 nan 8.150 nan 0.000 0.444 206 N N -0.051 118.452 118.700 -0.328 0.000 2.166 206 N HA -0.077 4.663 4.740 -0.000 0.000 0.186 206 N C 1.536 176.932 175.510 -0.189 0.000 1.019 206 N CA 1.400 54.358 53.050 -0.153 0.000 0.856 206 N CB -0.326 38.025 38.487 -0.228 0.000 0.993 206 N HN 0.516 nan 8.380 nan 0.000 0.426 207 L N -0.262 120.809 121.223 -0.253 0.000 2.109 207 L HA -0.034 4.306 4.340 -0.000 0.000 0.207 207 L C 2.010 178.871 176.870 -0.015 0.000 1.086 207 L CA 0.609 55.378 54.840 -0.118 0.000 0.760 207 L CB -0.347 41.668 42.059 -0.074 0.000 0.910 207 L HN 0.188 nan 8.230 nan 0.000 0.437 208 I N 0.348 120.877 120.570 -0.068 0.000 2.208 208 I HA -0.341 3.829 4.170 -0.000 0.000 0.245 208 I C 2.768 178.989 176.117 0.175 0.000 1.097 208 I CA 1.476 62.784 61.300 0.013 0.000 1.363 208 I CB -0.235 37.632 38.000 -0.222 0.000 1.051 208 I HN 0.268 nan 8.210 nan 0.000 0.413 209 K N 1.091 121.555 120.400 0.107 0.000 2.026 209 K HA -0.268 4.052 4.320 -0.000 0.000 0.208 209 K C 2.115 178.785 176.600 0.117 0.000 1.048 209 K CA 1.850 58.234 56.287 0.161 0.000 0.929 209 K CB -0.152 32.460 32.500 0.187 0.000 0.713 209 K HN 0.261 nan 8.250 nan 0.000 0.439 210 E N -0.216 120.027 120.200 0.072 0.000 2.153 210 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 210 E C 1.674 178.313 176.600 0.065 0.000 0.988 210 E CA 0.966 57.396 56.400 0.051 0.000 0.811 210 E CB -0.103 29.606 29.700 0.015 0.000 0.746 210 E HN 0.468 nan 8.360 nan 0.000 0.466 211 A N -0.003 122.880 122.820 0.105 0.000 2.015 211 A HA 0.052 4.372 4.320 -0.000 0.000 0.219 211 A C 1.855 179.447 177.584 0.013 0.000 1.163 211 A CA 1.451 53.541 52.037 0.088 0.000 0.646 211 A CB -0.368 18.751 19.000 0.197 0.000 0.806 211 A HN 0.516 nan 8.150 nan 0.000 0.448 212 G N -2.907 105.929 108.800 0.059 0.000 2.159 212 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.170 212 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.170 212 G C -0.057 174.842 174.900 -0.001 0.000 1.007 212 G CA -0.275 44.834 45.100 0.016 0.000 0.672 212 G HN 0.255 nan 8.290 nan 0.000 0.507 213 F N 1.802 121.772 119.950 0.034 0.000 2.538 213 F HA 0.398 4.925 4.527 -0.000 0.000 0.371 213 F C -1.129 174.650 175.800 -0.035 0.000 1.087 213 F CA -1.366 56.623 58.000 -0.020 0.000 1.250 213 F CB 0.502 39.428 39.000 -0.122 0.000 1.110 213 F HN -0.092 nan 8.300 nan 0.000 0.570 214 P HA 0.016 nan 4.420 nan 0.000 0.266 214 P C -2.503 174.800 177.300 0.005 0.000 1.193 214 P CA -0.794 62.353 63.100 0.079 0.000 0.770 214 P CB -0.077 31.703 31.700 0.134 0.000 0.836 215 P HA 0.051 nan 4.420 nan 0.000 0.265 215 P C 1.019 178.266 177.300 -0.089 0.000 1.193 215 P CA 1.113 64.168 63.100 -0.075 0.000 0.765 215 P CB 0.136 31.796 31.700 -0.067 0.000 0.823 216 G N 1.072 109.789 108.800 -0.138 0.000 2.225 216 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.254 216 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.254 216 G C 0.972 175.790 174.900 -0.136 0.000 0.988 216 G CA 0.255 45.286 45.100 -0.116 0.000 0.625 216 G HN 0.405 nan 8.290 nan 0.000 0.527 217 V N -0.072 119.714 119.914 -0.214 0.000 2.358 217 V HA 0.095 4.214 4.120 -0.000 0.000 0.246 217 V C 1.486 177.400 176.094 -0.300 0.000 1.047 217 V CA 1.968 64.030 62.300 -0.397 0.000 1.035 217 V CB 0.118 31.477 31.823 -0.773 0.000 0.658 217 V HN 0.364 nan 8.190 nan 0.000 0.452 218 V N 1.754 121.538 119.914 -0.217 0.000 2.487 218 V HA 0.475 4.595 4.120 -0.000 0.000 0.298 218 V C -0.771 175.337 176.094 0.023 0.000 1.028 218 V CA -0.744 61.478 62.300 -0.131 0.000 0.860 218 V CB 1.690 33.389 31.823 -0.207 0.000 0.991 218 V HN 0.454 nan 8.190 nan 0.000 0.427 219 N N 5.441 124.153 118.700 0.021 0.000 2.296 219 N HA 0.627 5.366 4.740 -0.000 0.000 0.294 219 N C -1.245 174.328 175.510 0.104 0.000 1.033 219 N CA -0.427 52.666 53.050 0.071 0.000 0.839 219 N CB 3.021 41.495 38.487 -0.022 0.000 1.395 219 N HN 0.481 nan 8.380 nan 0.000 0.479 220 I N 1.388 122.070 120.570 0.187 0.000 2.433 220 I HA 0.373 4.543 4.170 -0.000 0.000 0.292 220 I C -0.398 175.824 176.117 0.174 0.000 1.001 220 I CA -1.041 60.349 61.300 0.150 0.000 1.119 220 I CB 2.108 40.188 38.000 0.133 0.000 1.289 220 I HN 0.045 nan 8.210 nan 0.000 0.438 221 V N 7.445 127.445 119.914 0.144 0.000 2.325 221 V HA 0.307 4.427 4.120 -0.000 0.000 0.280 221 V C -2.321 173.870 176.094 0.162 0.000 1.016 221 V CA -1.677 60.717 62.300 0.156 0.000 0.818 221 V CB 1.217 33.112 31.823 0.119 0.000 1.019 221 V HN 0.561 nan 8.190 nan 0.000 0.434 222 P HA 0.624 nan 4.420 nan 0.000 0.274 222 P C 0.381 177.808 177.300 0.211 0.000 1.231 222 P CA 0.386 63.629 63.100 0.238 0.000 0.790 222 P CB 1.328 33.230 31.700 0.337 0.000 0.951 223 G N 0.048 108.855 108.800 0.011 0.000 2.345 223 G HA2 0.284 4.243 3.960 -0.000 0.000 0.285 223 G HA3 0.284 4.243 3.960 -0.000 0.000 0.285 223 G C -1.724 172.917 174.900 -0.431 0.000 1.297 223 G CA -0.777 44.221 45.100 -0.171 0.000 0.875 223 G HN 0.233 nan 8.290 nan 0.000 0.506 224 F N 0.557 120.382 119.950 -0.207 0.000 2.408 224 F HA 0.587 5.114 4.527 -0.000 0.000 0.325 224 F C 1.759 177.530 175.800 -0.050 0.000 1.082 224 F CA 0.689 58.594 58.000 -0.159 0.000 1.032 224 F CB 1.586 40.492 39.000 -0.157 0.000 1.259 224 F HN 0.670 nan 8.300 nan 0.000 0.503 225 G N 0.583 109.479 108.800 0.161 0.000 2.414 225 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.215 225 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.215 225 G C -1.048 173.910 174.900 0.096 0.000 1.188 225 G CA 0.539 45.711 45.100 0.120 0.000 0.783 225 G HN 0.490 nan 8.290 nan 0.000 0.537 226 P HA 0.031 nan 4.420 nan 0.000 0.234 226 P C 1.581 178.907 177.300 0.044 0.000 1.167 226 P CA 1.763 64.891 63.100 0.047 0.000 0.763 226 P CB 0.163 31.880 31.700 0.030 0.000 0.835 227 T N -3.577 111.021 114.554 0.073 0.000 3.587 227 T HA 0.308 4.658 4.350 -0.000 0.000 0.221 227 T C 1.952 176.698 174.700 0.077 0.000 0.921 227 T CA 0.556 62.696 62.100 0.067 0.000 1.426 227 T CB -1.106 67.809 68.868 0.080 0.000 1.340 227 T HN -0.115 nan 8.240 nan 0.000 0.423 228 A N 1.812 124.691 122.820 0.097 0.000 1.877 228 A HA 0.216 4.536 4.320 -0.000 0.000 0.216 228 A C 2.613 180.248 177.584 0.084 0.000 1.186 228 A CA 2.074 54.166 52.037 0.092 0.000 0.620 228 A CB -1.776 17.282 19.000 0.098 0.000 0.822 228 A HN 0.690 nan 8.150 nan 0.000 0.443 229 G N -0.536 108.315 108.800 0.086 0.000 2.446 229 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.217 229 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.217 229 G C 1.772 176.706 174.900 0.058 0.000 1.168 229 G CA 1.598 46.750 45.100 0.086 0.000 0.771 229 G HN 0.856 nan 8.290 nan 0.000 0.551 230 A N 1.050 123.895 122.820 0.042 0.000 1.933 230 A HA 0.282 4.602 4.320 -0.000 0.000 0.218 230 A C 2.799 180.403 177.584 0.035 0.000 1.175 230 A CA 2.178 54.227 52.037 0.019 0.000 0.628 230 A CB -0.704 18.302 19.000 0.011 0.000 0.814 230 A HN 0.802 nan 8.150 nan 0.000 0.444 231 A N 0.113 122.966 122.820 0.056 0.000 1.902 231 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 231 A C 2.117 179.771 177.584 0.117 0.000 1.181 231 A CA 1.552 53.636 52.037 0.080 0.000 0.623 231 A CB -0.584 18.472 19.000 0.093 0.000 0.818 231 A HN 0.509 nan 8.150 nan 0.000 0.443 232 I N -0.327 120.300 120.570 0.096 0.000 2.179 232 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 232 I C 2.946 179.111 176.117 0.080 0.000 1.088 232 I CA 1.124 62.476 61.300 0.087 0.000 1.357 232 I CB -0.406 37.633 38.000 0.065 0.000 1.051 232 I HN 0.351 nan 8.210 nan 0.000 0.409 233 A N -0.398 122.453 122.820 0.051 0.000 2.019 233 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 233 A C 2.320 179.919 177.584 0.025 0.000 1.164 233 A CA 1.936 53.986 52.037 0.021 0.000 0.644 233 A CB -0.391 18.596 19.000 -0.021 0.000 0.805 233 A HN 0.392 nan 8.150 nan 0.000 0.449 234 S N -1.350 114.373 115.700 0.039 0.000 2.540 234 S HA 0.102 4.572 4.470 -0.000 0.000 0.218 234 S C 0.549 175.169 174.600 0.033 0.000 0.977 234 S CA -0.568 57.644 58.200 0.019 0.000 0.918 234 S CB -0.202 62.996 63.200 -0.003 0.000 0.806 234 S HN 0.691 nan 8.310 nan 0.000 0.496 235 H N 2.551 121.617 119.070 -0.006 0.000 2.815 235 H HA 0.095 4.651 4.556 -0.000 0.000 0.350 235 H C 0.789 176.113 175.328 -0.006 0.000 1.080 235 H CA 0.637 56.683 56.048 -0.003 0.000 1.433 235 H CB 0.717 30.479 29.762 0.001 0.000 1.432 235 H HN 0.120 nan 8.280 nan 0.000 0.592 236 E N 2.796 122.956 120.200 -0.066 0.000 2.435 236 E HA -0.096 4.253 4.350 -0.000 0.000 0.195 236 E C 0.485 177.183 176.600 0.163 0.000 1.029 236 E CA 0.638 57.053 56.400 0.025 0.000 0.865 236 E CB 0.295 29.953 29.700 -0.070 0.000 0.833 236 E HN 0.579 nan 8.360 nan 0.000 0.510 237 D N -0.354 120.311 120.400 0.443 0.000 2.501 237 D HA 0.060 4.700 4.640 -0.000 0.000 0.224 237 D C -0.741 175.603 176.300 0.074 0.000 1.202 237 D CA -0.042 54.092 54.000 0.223 0.000 0.829 237 D CB 0.674 41.602 40.800 0.214 0.000 1.023 237 D HN -0.224 nan 8.370 nan 0.000 0.499 238 V N 1.583 121.548 119.914 0.085 0.000 2.432 238 V HA 0.153 4.273 4.120 -0.000 0.000 0.275 238 V C 0.897 176.984 176.094 -0.010 0.000 1.043 238 V CA -0.335 61.953 62.300 -0.020 0.000 0.925 238 V CB 1.726 33.539 31.823 -0.017 0.000 0.985 238 V HN 0.082 nan 8.190 nan 0.000 0.466 239 D N 2.848 123.218 120.400 -0.051 0.000 2.249 239 D HA 0.049 4.689 4.640 -0.000 0.000 0.205 239 D C 0.786 177.052 176.300 -0.056 0.000 0.962 239 D CA 0.922 54.890 54.000 -0.053 0.000 0.860 239 D CB 0.580 41.325 40.800 -0.092 0.000 0.955 239 D HN 0.361 nan 8.370 nan 0.000 0.505 240 K N 0.687 121.051 120.400 -0.060 0.000 2.543 240 K HA 0.327 4.647 4.320 -0.000 0.000 0.255 240 K C -2.035 174.538 176.600 -0.045 0.000 0.934 240 K CA -0.566 55.676 56.287 -0.075 0.000 0.810 240 K CB 2.854 35.277 32.500 -0.128 0.000 1.315 240 K HN -0.146 nan 8.250 nan 0.000 0.433 241 V N 2.344 122.236 119.914 -0.037 0.000 2.588 241 V HA 0.839 4.959 4.120 -0.000 0.000 0.304 241 V C -1.325 174.782 176.094 0.023 0.000 1.042 241 V CA -0.395 61.912 62.300 0.012 0.000 0.877 241 V CB 1.583 33.423 31.823 0.028 0.000 0.996 241 V HN 0.872 nan 8.190 nan 0.000 0.425 242 A N 6.444 129.310 122.820 0.077 0.000 2.330 242 A HA 0.869 5.189 4.320 -0.000 0.000 0.313 242 A C -1.352 176.347 177.584 0.192 0.000 1.124 242 A CA -0.470 51.634 52.037 0.111 0.000 0.774 242 A CB 1.102 20.177 19.000 0.124 0.000 1.198 242 A HN 1.229 nan 8.150 nan 0.000 0.465 243 F N 2.021 121.993 119.950 0.038 0.000 2.547 243 F HA 0.675 5.202 4.527 -0.000 0.000 0.316 243 F C -0.408 175.419 175.800 0.045 0.000 1.121 243 F CA -0.022 58.000 58.000 0.036 0.000 0.911 243 F CB 2.236 41.249 39.000 0.021 0.000 1.179 243 F HN 0.436 nan 8.300 nan 0.000 0.443 244 T N 4.656 118.749 114.554 -0.769 0.000 2.807 244 T HA 0.832 5.182 4.350 -0.000 0.000 0.279 244 T C -0.084 173.906 174.700 -1.184 0.000 0.993 244 T CA -0.189 61.506 62.100 -0.674 0.000 0.970 244 T CB 1.280 69.975 68.868 -0.288 0.000 0.950 244 T HN 1.123 nan 8.240 nan 0.000 0.441 245 G N 1.702 110.048 108.800 -0.757 0.000 2.399 245 G HA2 0.427 4.387 3.960 -0.000 0.000 0.256 245 G HA3 0.427 4.387 3.960 -0.000 0.000 0.256 245 G C -0.665 174.226 174.900 -0.015 0.000 1.236 245 G CA -0.301 44.532 45.100 -0.445 0.000 0.914 245 G HN 0.942 nan 8.290 nan 0.000 0.482 246 S N -0.527 115.262 115.700 0.149 0.000 2.592 246 S HA 0.468 4.938 4.470 -0.000 0.000 0.271 246 S C 1.354 176.079 174.600 0.209 0.000 1.326 246 S CA 0.999 59.265 58.200 0.110 0.000 1.024 246 S CB 1.368 64.613 63.200 0.075 0.000 0.921 246 S HN 0.838 nan 8.310 nan 0.000 0.527 247 T N 1.437 116.097 114.554 0.177 0.000 2.759 247 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 247 T C 1.620 176.377 174.700 0.094 0.000 1.042 247 T CA 1.889 64.088 62.100 0.165 0.000 1.140 247 T CB -0.550 68.435 68.868 0.195 0.000 0.864 247 T HN 0.876 nan 8.240 nan 0.000 0.455 248 E N 0.386 120.635 120.200 0.081 0.000 2.058 248 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 248 E C 2.002 178.599 176.600 -0.004 0.000 0.997 248 E CA 1.144 57.566 56.400 0.036 0.000 0.801 248 E CB -0.060 29.667 29.700 0.044 0.000 0.746 248 E HN 0.324 nan 8.360 nan 0.000 0.450 249 I N 0.917 121.489 120.570 0.003 0.000 2.439 249 I HA -0.090 4.080 4.170 -0.000 0.000 0.251 249 I C 2.568 178.475 176.117 -0.350 0.000 1.139 249 I CA 1.213 62.429 61.300 -0.140 0.000 1.438 249 I CB -1.742 36.212 38.000 -0.076 0.000 1.085 249 I HN 0.246 nan 8.210 nan 0.000 0.427 250 G N 1.407 110.099 108.800 -0.180 0.000 2.469 250 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.219 250 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.219 250 G C 1.895 176.708 174.900 -0.144 0.000 1.150 250 G CA 0.627 45.635 45.100 -0.154 0.000 0.763 250 G HN 0.341 nan 8.290 nan 0.000 0.561 251 R N -0.262 120.184 120.500 -0.089 0.000 2.081 251 R HA 0.001 4.341 4.340 -0.000 0.000 0.235 251 R C 2.665 178.905 176.300 -0.100 0.000 1.131 251 R CA 1.095 57.151 56.100 -0.074 0.000 0.960 251 R CB -0.595 29.677 30.300 -0.047 0.000 0.856 251 R HN 0.303 nan 8.270 nan 0.000 0.436 252 V N 1.540 121.376 119.914 -0.130 0.000 2.332 252 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 252 V C 2.318 178.320 176.094 -0.152 0.000 1.055 252 V CA 1.555 63.777 62.300 -0.130 0.000 1.038 252 V CB -0.477 31.262 31.823 -0.140 0.000 0.651 252 V HN 0.253 nan 8.190 nan 0.000 0.450 253 I N -0.138 120.290 120.570 -0.238 0.000 2.142 253 I HA -0.289 3.881 4.170 -0.000 0.000 0.240 253 I C 2.568 178.615 176.117 -0.117 0.000 1.078 253 I CA 1.939 63.109 61.300 -0.217 0.000 1.343 253 I CB -1.195 36.601 38.000 -0.340 0.000 1.046 253 I HN 0.446 nan 8.210 nan 0.000 0.405 254 Q N 0.446 120.187 119.800 -0.099 0.000 2.119 254 Q HA -0.142 4.198 4.340 -0.000 0.000 0.201 254 Q C 2.359 178.327 176.000 -0.054 0.000 0.972 254 Q CA 1.331 57.097 55.803 -0.062 0.000 0.847 254 Q CB 0.209 28.918 28.738 -0.048 0.000 0.903 254 Q HN 0.309 nan 8.270 nan 0.000 0.433 255 V N 0.672 120.550 119.914 -0.060 0.000 2.343 255 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 255 V C 2.289 178.356 176.094 -0.045 0.000 1.051 255 V CA 1.758 64.028 62.300 -0.049 0.000 1.036 255 V CB -0.894 30.900 31.823 -0.049 0.000 0.654 255 V HN 0.499 nan 8.190 nan 0.000 0.451 256 A N -0.107 122.681 122.820 -0.052 0.000 1.933 256 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 256 A C 2.408 179.973 177.584 -0.032 0.000 1.175 256 A CA 2.036 54.048 52.037 -0.042 0.000 0.628 256 A CB -0.696 18.276 19.000 -0.047 0.000 0.814 256 A HN 0.566 nan 8.150 nan 0.000 0.444 257 A N -0.521 122.278 122.820 -0.034 0.000 1.898 257 A HA 0.148 4.468 4.320 -0.000 0.000 0.216 257 A C 2.390 179.959 177.584 -0.025 0.000 1.181 257 A CA 1.838 53.860 52.037 -0.026 0.000 0.620 257 A CB -1.301 17.681 19.000 -0.029 0.000 0.819 257 A HN 0.713 nan 8.150 nan 0.000 0.442 258 G N -0.935 107.847 108.800 -0.029 0.000 2.422 258 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.218 258 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.218 258 G C 1.687 176.572 174.900 -0.024 0.000 1.140 258 G CA 1.232 46.316 45.100 -0.027 0.000 0.775 258 G HN 0.499 nan 8.290 nan 0.000 0.545 259 S N 0.346 116.031 115.700 -0.025 0.000 2.461 259 S HA 0.007 4.477 4.470 -0.000 0.000 0.228 259 S C 2.351 176.937 174.600 -0.022 0.000 1.005 259 S CA 1.051 59.237 58.200 -0.024 0.000 0.942 259 S CB 0.031 63.215 63.200 -0.026 0.000 0.776 259 S HN 0.628 nan 8.310 nan 0.000 0.514 260 S N 3.272 118.960 115.700 -0.020 0.000 2.965 260 S HA 0.107 4.577 4.470 -0.000 0.000 0.165 260 S C 0.952 175.544 174.600 -0.013 0.000 0.735 260 S CA 0.151 58.340 58.200 -0.018 0.000 0.985 260 S CB -0.544 62.648 63.200 -0.013 0.000 0.675 260 S HN 0.484 nan 8.310 nan 0.000 0.592 261 N N 1.344 120.041 118.700 -0.006 0.000 2.234 261 N HA 0.248 4.988 4.740 -0.000 0.000 0.227 261 N C 0.120 175.626 175.510 -0.006 0.000 1.151 261 N CA -0.118 52.930 53.050 -0.002 0.000 0.865 261 N CB -0.540 37.953 38.487 0.011 0.000 1.066 261 N HN 0.639 nan 8.380 nan 0.000 0.515 262 L N -0.331 120.885 121.223 -0.012 0.000 3.843 262 L HA -0.296 4.044 4.340 -0.000 0.000 0.411 262 L C -0.041 176.817 176.870 -0.020 0.000 1.205 262 L CA 0.633 55.462 54.840 -0.018 0.000 0.945 262 L CB -1.797 40.252 42.059 -0.018 0.000 1.929 262 L HN 0.446 nan 8.230 nan 0.000 0.934 263 K N -0.076 120.314 120.400 -0.017 0.000 2.440 263 K HA 0.392 4.712 4.320 -0.000 0.000 0.270 263 K C 0.375 176.953 176.600 -0.036 0.000 0.980 263 K CA -0.524 55.749 56.287 -0.023 0.000 0.953 263 K CB 0.458 32.949 32.500 -0.014 0.000 0.925 263 K HN 0.021 nan 8.250 nan 0.000 0.497 264 R N 0.936 121.405 120.500 -0.052 0.000 2.539 264 R HA 0.294 4.634 4.340 -0.000 0.000 0.275 264 R C -0.637 175.621 176.300 -0.071 0.000 1.077 264 R CA -0.475 55.585 56.100 -0.067 0.000 1.097 264 R CB 1.075 31.322 30.300 -0.090 0.000 1.018 264 R HN 0.451 nan 8.270 nan 0.000 0.483 265 V N 1.420 121.295 119.914 -0.064 0.000 2.588 265 V HA 0.562 4.682 4.120 -0.000 0.000 0.304 265 V C -0.470 175.595 176.094 -0.047 0.000 1.042 265 V CA -0.771 61.502 62.300 -0.045 0.000 0.877 265 V CB 2.113 33.919 31.823 -0.028 0.000 0.996 265 V HN 0.997 nan 8.190 nan 0.000 0.425 266 T N 2.741 117.278 114.554 -0.029 0.000 2.893 266 T HA 0.870 5.220 4.350 -0.000 0.000 0.291 266 T C -1.024 173.718 174.700 0.071 0.000 1.028 266 T CA -0.740 61.358 62.100 -0.003 0.000 0.995 266 T CB 1.787 70.633 68.868 -0.036 0.000 1.051 266 T HN 0.380 nan 8.240 nan 0.000 0.470 267 L N 1.705 122.979 121.223 0.086 0.000 2.410 267 L HA 0.567 4.907 4.340 -0.000 0.000 0.270 267 L C -0.457 176.490 176.870 0.129 0.000 0.983 267 L CA -0.907 54.025 54.840 0.153 0.000 0.822 267 L CB 2.267 44.420 42.059 0.157 0.000 1.285 267 L HN 0.640 nan 8.230 nan 0.000 0.409 268 E N 4.977 125.256 120.200 0.132 0.000 2.141 268 E HA 0.531 4.881 4.350 -0.000 0.000 0.259 268 E C -0.755 175.902 176.600 0.094 0.000 0.883 268 E CA -0.243 56.230 56.400 0.123 0.000 0.744 268 E CB 2.300 32.094 29.700 0.157 0.000 1.150 268 E HN 0.476 nan 8.360 nan 0.000 0.420 269 L N 0.274 121.571 121.223 0.123 0.000 2.558 269 L HA 0.640 4.980 4.340 -0.000 0.000 0.260 269 L C 1.209 178.136 176.870 0.097 0.000 1.130 269 L CA -1.145 53.772 54.840 0.129 0.000 1.049 269 L CB 0.311 42.481 42.059 0.186 0.000 1.758 269 L HN 0.423 nan 8.230 nan 0.000 0.555 270 G N -1.553 107.299 108.800 0.086 0.000 2.563 270 G HA2 0.565 4.525 3.960 -0.000 0.000 0.283 270 G HA3 0.565 4.525 3.960 -0.000 0.000 0.283 270 G C -0.561 174.180 174.900 -0.266 0.000 1.309 270 G CA 0.175 45.228 45.100 -0.077 0.000 1.022 270 G HN 0.809 nan 8.290 nan 0.000 0.501 271 G N -1.832 106.589 108.800 -0.630 0.000 2.645 271 G HA2 0.503 4.463 3.960 -0.000 0.000 0.292 271 G HA3 0.503 4.463 3.960 -0.000 0.000 0.292 271 G C -1.378 173.094 174.900 -0.714 0.000 1.415 271 G CA -0.595 44.094 45.100 -0.686 0.000 0.785 271 G HN 0.602 nan 8.290 nan 0.000 0.483 272 K N 0.520 120.759 120.400 -0.267 0.000 3.262 272 K HA 0.436 4.756 4.320 -0.000 0.000 0.166 272 K C -0.232 176.406 176.600 0.063 0.000 1.091 272 K CA -0.312 55.940 56.287 -0.059 0.000 0.798 272 K CB 0.255 32.812 32.500 0.094 0.000 0.953 272 K HN 0.411 nan 8.250 nan 0.000 0.588 273 S N 3.230 118.979 115.700 0.081 0.000 2.533 273 S HA 0.231 4.700 4.470 -0.000 0.000 0.282 273 S C -2.419 172.300 174.600 0.198 0.000 1.304 273 S CA -0.735 57.559 58.200 0.156 0.000 1.063 273 S CB 0.441 63.787 63.200 0.244 0.000 0.881 273 S HN 0.344 nan 8.310 nan 0.000 0.493 274 P HA 0.234 nan 4.420 nan 0.000 0.286 274 P C -0.889 176.605 177.300 0.324 0.000 1.269 274 P CA -0.543 62.741 63.100 0.306 0.000 0.787 274 P CB 0.297 32.175 31.700 0.297 0.000 0.920 275 N N 3.669 122.561 118.700 0.319 0.000 2.511 275 N HA 0.330 5.070 4.740 -0.000 0.000 0.249 275 N C -0.883 174.804 175.510 0.296 0.000 0.971 275 N CA -0.572 52.677 53.050 0.333 0.000 0.938 275 N CB 0.398 38.990 38.487 0.176 0.000 1.131 275 N HN 0.279 nan 8.380 nan 0.000 0.505 276 I N 4.904 125.659 120.570 0.308 0.000 2.297 276 I HA 0.269 4.439 4.170 -0.000 0.000 0.291 276 I C -0.127 176.173 176.117 0.305 0.000 1.033 276 I CA -0.716 60.732 61.300 0.246 0.000 1.253 276 I CB 1.008 39.046 38.000 0.064 0.000 1.396 276 I HN 0.372 nan 8.210 nan 0.000 0.476 277 I N 6.961 127.684 120.570 0.256 0.000 2.291 277 I HA 0.295 4.465 4.170 -0.000 0.000 0.290 277 I C 0.313 176.590 176.117 0.268 0.000 1.050 277 I CA -0.408 61.006 61.300 0.189 0.000 1.245 277 I CB 0.577 38.481 38.000 -0.159 0.000 1.405 277 I HN 0.486 nan 8.210 nan 0.000 0.478 278 M N 3.855 123.632 119.600 0.295 0.000 2.202 278 M HA 0.143 4.623 4.480 -0.000 0.000 0.316 278 M C 1.651 178.039 176.300 0.147 0.000 1.138 278 M CA -0.040 55.412 55.300 0.253 0.000 1.151 278 M CB 0.613 33.354 32.600 0.235 0.000 1.422 278 M HN 0.653 nan 8.290 nan 0.000 0.471 279 S N 0.138 115.888 115.700 0.083 0.000 2.469 279 S HA -0.143 4.327 4.470 -0.000 0.000 0.238 279 S C 0.769 175.420 174.600 0.085 0.000 0.998 279 S CA 1.247 59.479 58.200 0.053 0.000 0.957 279 S CB -0.538 62.670 63.200 0.013 0.000 0.764 279 S HN 0.752 nan 8.310 nan 0.000 0.514 280 D N 1.518 121.982 120.400 0.106 0.000 2.340 280 D HA 0.387 5.027 4.640 -0.000 0.000 0.217 280 D C 0.570 176.958 176.300 0.147 0.000 1.081 280 D CA 0.026 54.091 54.000 0.109 0.000 0.842 280 D CB -0.305 40.550 40.800 0.091 0.000 0.934 280 D HN 0.483 nan 8.370 nan 0.000 0.511 281 A N 0.509 123.443 122.820 0.189 0.000 2.406 281 A HA 0.203 4.523 4.320 -0.000 0.000 0.243 281 A C -0.022 177.710 177.584 0.247 0.000 1.082 281 A CA -0.315 51.880 52.037 0.264 0.000 0.786 281 A CB 0.049 19.247 19.000 0.330 0.000 1.029 281 A HN 0.166 nan 8.150 nan 0.000 0.495 282 D N 1.519 122.101 120.400 0.304 0.000 2.342 282 D HA 0.179 4.819 4.640 -0.000 0.000 0.260 282 D C 1.073 177.547 176.300 0.291 0.000 1.278 282 D CA -0.145 54.019 54.000 0.273 0.000 0.910 282 D CB 0.307 41.280 40.800 0.289 0.000 1.079 282 D HN 0.431 nan 8.370 nan 0.000 0.496 283 M N 3.620 123.346 119.600 0.210 0.000 2.088 283 M HA -0.213 4.267 4.480 -0.000 0.000 0.256 283 M C 1.050 177.437 176.300 0.146 0.000 1.071 283 M CA 1.883 57.293 55.300 0.185 0.000 1.097 283 M CB -0.250 32.427 32.600 0.130 0.000 1.315 283 M HN 0.461 nan 8.290 nan 0.000 0.406 284 D N -1.228 119.256 120.400 0.141 0.000 2.117 284 D HA -0.247 4.393 4.640 -0.000 0.000 0.197 284 D C 1.947 178.350 176.300 0.172 0.000 0.987 284 D CA 1.588 55.654 54.000 0.109 0.000 0.829 284 D CB -0.738 40.130 40.800 0.114 0.000 0.961 284 D HN 0.682 nan 8.370 nan 0.000 0.460 285 W N 1.949 123.291 121.300 0.069 0.000 2.355 285 W HA -0.152 4.508 4.660 -0.000 0.000 0.309 285 W C 2.280 178.860 176.519 0.101 0.000 1.206 285 W CA 1.484 58.898 57.345 0.114 0.000 1.284 285 W CB -0.002 29.567 29.460 0.182 0.000 1.145 285 W HN -0.062 nan 8.180 nan 0.000 0.502 286 A N 0.429 123.294 122.820 0.074 0.000 1.902 286 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 286 A C 2.039 179.498 177.584 -0.209 0.000 1.181 286 A CA 2.173 54.039 52.037 -0.285 0.000 0.623 286 A CB -1.161 17.840 19.000 0.003 0.000 0.818 286 A HN 0.169 nan 8.150 nan 0.000 0.443 287 V N -0.136 119.694 119.914 -0.139 0.000 2.295 287 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 287 V C 2.641 178.596 176.094 -0.232 0.000 1.049 287 V CA 2.426 64.505 62.300 -0.368 0.000 1.024 287 V CB -0.632 30.925 31.823 -0.443 0.000 0.648 287 V HN 0.672 nan 8.190 nan 0.000 0.447 288 E N -0.171 119.917 120.200 -0.187 0.000 2.072 288 E HA -0.187 4.162 4.350 -0.000 0.000 0.191 288 E C 2.295 178.818 176.600 -0.128 0.000 0.985 288 E CA 1.248 57.564 56.400 -0.139 0.000 0.801 288 E CB -0.244 29.386 29.700 -0.117 0.000 0.750 288 E HN 0.483 nan 8.360 nan 0.000 0.452 289 Q N -0.298 119.295 119.800 -0.344 0.000 2.119 289 Q HA -0.039 4.301 4.340 -0.000 0.000 0.201 289 Q C 2.130 178.046 176.000 -0.140 0.000 0.972 289 Q CA 1.408 57.045 55.803 -0.277 0.000 0.847 289 Q CB -0.459 27.991 28.738 -0.480 0.000 0.903 289 Q HN 0.368 nan 8.270 nan 0.000 0.433 290 A N 0.146 122.839 122.820 -0.211 0.000 1.933 290 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 290 A C 1.923 179.477 177.584 -0.051 0.000 1.175 290 A CA 1.921 53.875 52.037 -0.139 0.000 0.628 290 A CB -0.798 18.252 19.000 0.083 0.000 0.814 290 A HN 0.489 nan 8.150 nan 0.000 0.444 291 H N -1.427 117.633 119.070 -0.016 0.000 2.293 291 H HA -0.176 4.380 4.556 -0.000 0.000 0.300 291 H C 1.761 177.232 175.328 0.238 0.000 1.082 291 H CA 2.305 58.458 56.048 0.175 0.000 1.308 291 H CB -0.458 29.366 29.762 0.104 0.000 1.375 291 H HN 0.487 nan 8.280 nan 0.000 0.495 292 F N 0.765 120.774 119.950 0.100 0.000 2.095 292 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 292 F C 2.512 178.282 175.800 -0.050 0.000 1.104 292 F CA 1.597 59.632 58.000 0.058 0.000 1.232 292 F CB -0.618 38.379 39.000 -0.004 0.000 0.987 292 F HN 0.304 nan 8.300 nan 0.000 0.475 293 A N 0.287 122.830 122.820 -0.461 0.000 1.940 293 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 293 A C 2.079 179.299 177.584 -0.608 0.000 1.176 293 A CA 2.025 53.547 52.037 -0.858 0.000 0.631 293 A CB -1.026 17.148 19.000 -1.377 0.000 0.814 293 A HN 0.595 nan 8.150 nan 0.000 0.446 294 L N -2.824 118.107 121.223 -0.486 0.000 2.200 294 L HA 0.267 4.607 4.340 -0.000 0.000 0.200 294 L C 1.991 178.550 176.870 -0.519 0.000 1.072 294 L CA 1.211 55.732 54.840 -0.533 0.000 0.787 294 L CB -0.148 41.480 42.059 -0.718 0.000 0.957 294 L HN 0.300 nan 8.230 nan 0.000 0.459 295 F N -1.190 118.585 119.950 -0.291 0.000 2.615 295 F HA 0.034 4.561 4.527 -0.000 0.000 0.297 295 F C 0.975 176.698 175.800 -0.129 0.000 1.124 295 F CA -0.077 57.772 58.000 -0.252 0.000 1.451 295 F CB -0.230 38.504 39.000 -0.443 0.000 1.103 295 F HN -0.061 nan 8.300 nan 0.000 0.569 296 F N 1.957 121.841 119.950 -0.111 0.000 2.602 296 F HA -0.020 4.506 4.527 -0.000 0.000 0.367 296 F C 1.239 176.996 175.800 -0.072 0.000 1.126 296 F CA -0.111 57.854 58.000 -0.057 0.000 1.321 296 F CB 0.142 39.009 39.000 -0.221 0.000 1.094 296 F HN 0.086 nan 8.300 nan 0.000 0.594 297 N N 3.297 121.422 118.700 -0.958 0.000 2.740 297 N HA -0.303 4.437 4.740 -0.000 0.000 0.248 297 N C -0.019 175.253 175.510 -0.397 0.000 1.062 297 N CA 1.396 53.983 53.050 -0.771 0.000 0.704 297 N CB -1.055 36.954 38.487 -0.797 0.000 0.968 297 N HN 0.768 nan 8.380 nan 0.000 0.547 298 Q N -2.400 117.253 119.800 -0.245 0.000 2.494 298 Q HA -0.165 4.175 4.340 -0.000 0.000 0.266 298 Q C 1.130 177.053 176.000 -0.129 0.000 1.053 298 Q CA 2.150 57.880 55.803 -0.120 0.000 1.029 298 Q CB -1.823 26.843 28.738 -0.119 0.000 1.423 298 Q HN 1.201 nan 8.270 nan 0.000 0.516 299 G N -0.894 107.799 108.800 -0.178 0.000 2.168 299 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.263 299 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.263 299 G C 0.142 174.771 174.900 -0.451 0.000 0.977 299 G CA 0.452 45.400 45.100 -0.254 0.000 0.659 299 G HN 0.457 nan 8.290 nan 0.000 0.533 300 Q N -0.015 119.464 119.800 -0.534 0.000 3.122 300 Q HA 0.443 4.783 4.340 -0.000 0.000 0.360 300 Q C -0.073 175.406 176.000 -0.869 0.000 1.300 300 Q CA -0.100 55.069 55.803 -1.055 0.000 0.982 300 Q CB 0.207 28.665 28.738 -0.467 0.000 1.534 300 Q HN 0.462 nan 8.270 nan 0.000 0.474 301 C N -0.812 118.120 119.300 -0.614 0.000 2.441 301 C HA 0.241 4.701 4.460 -0.000 0.000 0.318 301 C C 1.669 176.723 174.990 0.108 0.000 1.222 301 C CA -0.987 58.010 59.018 -0.035 0.000 1.474 301 C CB 0.886 28.722 27.740 0.160 0.000 2.125 301 C HN 0.744 nan 8.230 nan 0.000 0.479 302 C N 0.814 120.307 119.300 0.321 0.000 2.419 302 C HA -0.116 4.344 4.460 -0.000 0.000 0.281 302 C C 2.180 177.329 174.990 0.264 0.000 1.336 302 C CA 1.088 60.316 59.018 0.350 0.000 1.770 302 C CB -1.622 26.279 27.740 0.268 0.000 1.929 302 C HN 1.013 nan 8.230 nan 0.000 0.509 303 C N 0.493 120.001 119.300 0.346 0.000 2.688 303 C HA 0.688 5.148 4.460 -0.000 0.000 0.297 303 C C 1.263 176.502 174.990 0.415 0.000 1.308 303 C CA -1.087 58.181 59.018 0.417 0.000 1.726 303 C CB -2.228 25.931 27.740 0.698 0.000 1.982 303 C HN 0.508 nan 8.230 nan 0.000 0.604 304 A N 1.225 124.185 122.820 0.233 0.000 2.587 304 A HA 0.424 4.744 4.320 -0.000 0.000 0.235 304 A C 1.145 178.786 177.584 0.095 0.000 1.044 304 A CA 0.890 52.985 52.037 0.097 0.000 0.754 304 A CB -0.151 18.809 19.000 -0.066 0.000 0.968 304 A HN 1.184 nan 8.150 nan 0.000 0.509 305 G N 1.636 110.374 108.800 -0.102 0.000 2.916 305 G HA2 0.337 4.297 3.960 -0.000 0.000 0.280 305 G HA3 0.337 4.297 3.960 -0.000 0.000 0.280 305 G C 0.882 175.692 174.900 -0.151 0.000 0.758 305 G CA 0.384 45.398 45.100 -0.143 0.000 1.993 305 G HN 1.219 nan 8.290 nan 0.000 0.564 306 S N 0.917 116.572 115.700 -0.075 0.000 2.575 306 S HA 0.210 4.680 4.470 -0.000 0.000 0.215 306 S C 0.928 175.466 174.600 -0.103 0.000 0.966 306 S CA -0.383 57.748 58.200 -0.116 0.000 0.911 306 S CB 0.476 63.616 63.200 -0.101 0.000 0.780 306 S HN 0.405 nan 8.310 nan 0.000 0.514 307 R N 1.788 122.242 120.500 -0.077 0.000 2.487 307 R HA 0.306 4.645 4.340 -0.000 0.000 0.288 307 R C -1.227 174.959 176.300 -0.191 0.000 1.394 307 R CA -0.104 55.888 56.100 -0.180 0.000 1.155 307 R CB 1.321 31.542 30.300 -0.131 0.000 1.156 307 R HN 0.132 nan 8.270 nan 0.000 0.553 308 T N 4.034 118.468 114.554 -0.199 0.000 2.863 308 T HA 0.250 4.600 4.350 -0.000 0.000 0.299 308 T C -0.148 174.468 174.700 -0.140 0.000 0.973 308 T CA -0.032 62.006 62.100 -0.103 0.000 0.994 308 T CB -0.163 68.681 68.868 -0.041 0.000 0.961 308 T HN 0.184 nan 8.240 nan 0.000 0.552 309 F N 2.633 122.612 119.950 0.047 0.000 2.424 309 F HA 0.419 4.946 4.527 -0.000 0.000 0.356 309 F C 0.372 176.323 175.800 0.252 0.000 1.110 309 F CA -0.677 57.417 58.000 0.157 0.000 1.161 309 F CB 0.833 39.837 39.000 0.007 0.000 1.115 309 F HN 0.179 nan 8.300 nan 0.000 0.507 310 V N 4.078 124.249 119.914 0.428 0.000 2.487 310 V HA 0.235 4.355 4.120 -0.000 0.000 0.298 310 V C -0.078 175.978 176.094 -0.064 0.000 1.028 310 V CA -1.083 61.287 62.300 0.115 0.000 0.860 310 V CB 1.491 33.182 31.823 -0.219 0.000 0.991 310 V HN 0.566 nan 8.190 nan 0.000 0.427 311 Q N 3.235 122.779 119.800 -0.427 0.000 2.330 311 Q HA 0.010 4.350 4.340 -0.000 0.000 0.279 311 Q C 1.449 177.241 176.000 -0.345 0.000 1.024 311 Q CA 0.392 55.653 55.803 -0.904 0.000 0.900 311 Q CB 1.116 29.496 28.738 -0.596 0.000 1.221 311 Q HN 1.015 nan 8.270 nan 0.000 0.396 312 E N 2.867 122.869 120.200 -0.330 0.000 2.097 312 E HA -0.268 4.082 4.350 -0.000 0.000 0.196 312 E C 0.359 176.944 176.600 -0.024 0.000 1.000 312 E CA 1.691 58.014 56.400 -0.128 0.000 0.804 312 E CB -0.028 29.586 29.700 -0.143 0.000 0.740 312 E HN 0.558 nan 8.360 nan 0.000 0.454 313 D N 1.144 121.512 120.400 -0.053 0.000 2.265 313 D HA -0.134 4.505 4.640 -0.000 0.000 0.208 313 D C 1.987 178.311 176.300 0.038 0.000 0.977 313 D CA 1.543 55.541 54.000 -0.004 0.000 0.871 313 D CB -0.117 40.675 40.800 -0.014 0.000 0.925 313 D HN 0.654 nan 8.370 nan 0.000 0.485 314 I N -3.994 116.606 120.570 0.051 0.000 4.240 314 I HA 0.178 4.347 4.170 -0.000 0.000 0.331 314 I C 1.762 177.963 176.117 0.141 0.000 1.381 314 I CA -0.553 60.801 61.300 0.091 0.000 1.136 314 I CB -0.100 37.953 38.000 0.088 0.000 1.137 314 I HN -0.237 nan 8.210 nan 0.000 0.411 315 Y N 3.028 123.337 120.300 0.014 0.000 2.040 315 Y HA -0.330 4.220 4.550 -0.000 0.000 0.275 315 Y C 2.120 178.087 175.900 0.111 0.000 1.171 315 Y CA 2.454 60.581 58.100 0.044 0.000 1.123 315 Y CB -0.123 38.337 38.460 0.001 0.000 0.963 315 Y HN 0.207 nan 8.280 nan 0.000 0.493 316 D N -0.037 120.493 120.400 0.216 0.000 2.104 316 D HA -0.219 4.421 4.640 -0.000 0.000 0.194 316 D C 2.113 178.431 176.300 0.030 0.000 0.994 316 D CA 1.766 55.840 54.000 0.123 0.000 0.830 316 D CB -0.474 40.413 40.800 0.145 0.000 0.959 316 D HN 0.623 nan 8.370 nan 0.000 0.452 317 E N -0.446 119.789 120.200 0.058 0.000 2.047 317 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 317 E C 2.127 178.736 176.600 0.015 0.000 0.987 317 E CA 0.472 56.893 56.400 0.035 0.000 0.799 317 E CB -0.235 29.497 29.700 0.054 0.000 0.752 317 E HN 0.207 nan 8.360 nan 0.000 0.449 318 F N 0.919 120.813 119.950 -0.094 0.000 2.095 318 F HA -0.255 4.272 4.527 -0.000 0.000 0.298 318 F C 2.114 177.815 175.800 -0.166 0.000 1.104 318 F CA 1.543 59.472 58.000 -0.118 0.000 1.232 318 F CB -0.247 38.681 39.000 -0.119 0.000 0.987 318 F HN -0.106 nan 8.300 nan 0.000 0.475 319 V N 0.360 120.251 119.914 -0.039 0.000 2.287 319 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 319 V C 2.306 178.324 176.094 -0.127 0.000 1.053 319 V CA 2.326 64.544 62.300 -0.137 0.000 1.027 319 V CB -0.776 30.870 31.823 -0.295 0.000 0.646 319 V HN 0.364 nan 8.190 nan 0.000 0.447 320 E N -0.162 119.978 120.200 -0.099 0.000 2.049 320 E HA -0.289 4.061 4.350 -0.000 0.000 0.198 320 E C 2.496 179.024 176.600 -0.120 0.000 1.007 320 E CA 1.814 58.165 56.400 -0.082 0.000 0.809 320 E CB -0.153 29.515 29.700 -0.053 0.000 0.749 320 E HN 0.508 nan 8.360 nan 0.000 0.450 321 R N -0.026 120.373 120.500 -0.170 0.000 2.092 321 R HA -0.054 4.286 4.340 -0.000 0.000 0.231 321 R C 2.574 178.725 176.300 -0.249 0.000 1.119 321 R CA 1.259 57.235 56.100 -0.207 0.000 0.970 321 R CB -0.088 30.066 30.300 -0.243 0.000 0.864 321 R HN 0.003 nan 8.270 nan 0.000 0.440 322 S N 0.097 115.607 115.700 -0.316 0.000 2.356 322 S HA -0.104 4.366 4.470 -0.000 0.000 0.223 322 S C 2.065 176.606 174.600 -0.098 0.000 1.032 322 S CA 1.242 59.299 58.200 -0.239 0.000 1.005 322 S CB -0.150 62.903 63.200 -0.245 0.000 0.867 322 S HN 0.061 nan 8.310 nan 0.000 0.449 323 V N 2.122 121.982 119.914 -0.089 0.000 2.343 323 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 323 V C 2.646 178.691 176.094 -0.082 0.000 1.051 323 V CA 1.733 63.998 62.300 -0.059 0.000 1.036 323 V CB -1.235 30.555 31.823 -0.054 0.000 0.654 323 V HN 0.537 nan 8.190 nan 0.000 0.451 324 A N 0.374 123.133 122.820 -0.102 0.000 1.883 324 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 324 A C 2.306 179.804 177.584 -0.144 0.000 1.186 324 A CA 2.327 54.299 52.037 -0.109 0.000 0.624 324 A CB -0.571 18.365 19.000 -0.107 0.000 0.822 324 A HN 0.468 nan 8.150 nan 0.000 0.444 325 R N 0.208 120.596 120.500 -0.186 0.000 2.081 325 R HA -0.027 4.313 4.340 -0.000 0.000 0.235 325 R C 2.127 178.237 176.300 -0.317 0.000 1.131 325 R CA 2.005 57.925 56.100 -0.300 0.000 0.960 325 R CB -0.967 29.099 30.300 -0.390 0.000 0.856 325 R HN 0.397 nan 8.270 nan 0.000 0.436 326 A N 0.607 123.330 122.820 -0.161 0.000 1.902 326 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 326 A C 2.051 179.532 177.584 -0.170 0.000 1.181 326 A CA 1.728 53.667 52.037 -0.163 0.000 0.623 326 A CB -0.439 18.512 19.000 -0.082 0.000 0.818 326 A HN 0.391 nan 8.150 nan 0.000 0.443 327 K N 0.183 120.507 120.400 -0.126 0.000 2.147 327 K HA -0.103 4.217 4.320 -0.000 0.000 0.205 327 K C 2.110 178.646 176.600 -0.106 0.000 1.049 327 K CA 1.504 57.730 56.287 -0.102 0.000 0.936 327 K CB -0.123 32.328 32.500 -0.082 0.000 0.722 327 K HN 0.667 nan 8.250 nan 0.000 0.446 328 S N 0.384 116.007 115.700 -0.128 0.000 2.558 328 S HA 0.001 4.471 4.470 -0.000 0.000 0.217 328 S C 0.762 175.291 174.600 -0.118 0.000 0.975 328 S CA -0.328 57.802 58.200 -0.117 0.000 0.912 328 S CB -0.019 63.106 63.200 -0.125 0.000 0.776 328 S HN 0.136 nan 8.310 nan 0.000 0.526 329 R N 1.702 122.119 120.500 -0.138 0.000 2.449 329 R HA 0.235 4.575 4.340 -0.000 0.000 0.296 329 R C -1.052 175.206 176.300 -0.069 0.000 1.047 329 R CA -0.122 55.914 56.100 -0.107 0.000 1.018 329 R CB 0.343 30.563 30.300 -0.134 0.000 0.962 329 R HN 0.166 nan 8.270 nan 0.000 0.428 330 V N 6.625 126.515 119.914 -0.040 0.000 2.387 330 V HA 0.101 4.221 4.120 -0.000 0.000 0.260 330 V C 0.070 176.161 176.094 -0.005 0.000 1.054 330 V CA -0.313 61.971 62.300 -0.027 0.000 0.967 330 V CB 1.112 32.923 31.823 -0.019 0.000 1.036 330 V HN 0.487 nan 8.190 nan 0.000 0.481 331 V N 5.178 125.088 119.914 -0.007 0.000 2.481 331 V HA 0.975 5.095 4.120 -0.000 0.000 0.286 331 V C 0.758 176.831 176.094 -0.034 0.000 1.042 331 V CA 0.627 62.948 62.300 0.035 0.000 0.928 331 V CB 0.937 32.799 31.823 0.065 0.000 0.986 331 V HN 1.086 nan 8.190 nan 0.000 0.462 332 G N 3.430 112.232 108.800 0.005 0.000 2.360 332 G HA2 0.092 4.052 3.960 -0.000 0.000 0.276 332 G HA3 0.092 4.052 3.960 -0.000 0.000 0.276 332 G C -0.944 173.972 174.900 0.027 0.000 1.256 332 G CA -0.819 44.185 45.100 -0.159 0.000 0.890 332 G HN 0.594 nan 8.290 nan 0.000 0.486 333 N N 1.919 120.607 118.700 -0.021 0.000 2.414 333 N HA 0.170 4.910 4.740 -0.000 0.000 0.268 333 N C -0.917 174.650 175.510 0.095 0.000 1.286 333 N CA -1.210 51.894 53.050 0.090 0.000 0.896 333 N CB 1.446 39.973 38.487 0.066 0.000 1.093 333 N HN 0.081 nan 8.380 nan 0.000 0.480 334 P HA -0.106 nan 4.420 nan 0.000 0.223 334 P C 0.785 177.999 177.300 -0.142 0.000 1.144 334 P CA 1.192 64.243 63.100 -0.081 0.000 0.783 334 P CB -0.050 31.514 31.700 -0.227 0.000 0.771 335 F N -0.575 119.406 119.950 0.052 0.000 2.780 335 F HA 0.064 4.591 4.527 -0.000 0.000 0.299 335 F C 1.262 177.069 175.800 0.012 0.000 1.146 335 F CA 0.032 58.038 58.000 0.010 0.000 1.428 335 F CB -0.030 38.927 39.000 -0.072 0.000 1.115 335 F HN -0.133 nan 8.300 nan 0.000 0.583 336 D N 0.288 120.786 120.400 0.163 0.000 2.312 336 D HA -0.006 4.634 4.640 -0.000 0.000 0.252 336 D C 1.240 177.594 176.300 0.091 0.000 1.150 336 D CA 0.235 54.295 54.000 0.100 0.000 0.870 336 D CB 1.479 42.312 40.800 0.055 0.000 1.153 336 D HN 0.144 nan 8.370 nan 0.000 0.457 337 S N 3.571 119.324 115.700 0.088 0.000 2.465 337 S HA -0.158 4.312 4.470 -0.000 0.000 0.241 337 S C 1.371 176.004 174.600 0.055 0.000 1.000 337 S CA 0.825 59.076 58.200 0.085 0.000 0.964 337 S CB 0.007 63.250 63.200 0.071 0.000 0.763 337 S HN 0.499 nan 8.310 nan 0.000 0.512 338 K N 0.783 121.206 120.400 0.039 0.000 2.400 338 K HA 0.124 4.444 4.320 -0.000 0.000 0.194 338 K C -0.009 176.604 176.600 0.021 0.000 1.033 338 K CA 0.302 56.603 56.287 0.022 0.000 1.021 338 K CB 0.019 32.524 32.500 0.008 0.000 0.808 338 K HN 0.273 nan 8.250 nan 0.000 0.505 339 T N 1.774 116.346 114.554 0.031 0.000 2.799 339 T HA 0.038 4.388 4.350 -0.000 0.000 0.296 339 T C 0.744 175.464 174.700 0.034 0.000 0.947 339 T CA 0.265 62.383 62.100 0.030 0.000 1.141 339 T CB 1.021 69.914 68.868 0.041 0.000 0.891 339 T HN 0.177 nan 8.240 nan 0.000 0.533 340 E N 1.941 122.160 120.200 0.033 0.000 2.276 340 E HA 0.040 4.390 4.350 -0.000 0.000 0.193 340 E C 0.820 177.440 176.600 0.035 0.000 0.983 340 E CA 0.276 56.703 56.400 0.045 0.000 0.861 340 E CB 0.527 30.259 29.700 0.053 0.000 0.817 340 E HN 0.549 nan 8.360 nan 0.000 0.485 341 Q N 0.147 119.971 119.800 0.039 0.000 2.274 341 Q HA 0.400 4.740 4.340 -0.000 0.000 0.268 341 Q C -0.575 175.486 176.000 0.102 0.000 1.015 341 Q CA -0.609 55.218 55.803 0.041 0.000 0.775 341 Q CB 1.723 30.492 28.738 0.053 0.000 1.256 341 Q HN 0.134 nan 8.270 nan 0.000 0.442 342 G N 3.159 111.983 108.800 0.040 0.000 2.509 342 G HA2 0.561 4.520 3.960 -0.000 0.000 0.269 342 G HA3 0.561 4.520 3.960 -0.000 0.000 0.269 342 G C -2.503 172.323 174.900 -0.123 0.000 1.416 342 G CA -0.953 44.187 45.100 0.066 0.000 1.052 342 G HN 0.548 nan 8.290 nan 0.000 0.542 343 P HA 0.185 nan 4.420 nan 0.000 0.276 343 P C -0.660 176.445 177.300 -0.324 0.000 1.252 343 P CA -0.445 62.116 63.100 -0.899 0.000 0.802 343 P CB 0.817 31.785 31.700 -1.221 0.000 1.035 344 Q N 0.185 119.897 119.800 -0.147 0.000 2.492 344 Q HA 0.037 4.377 4.340 -0.000 0.000 0.238 344 Q C 1.343 177.240 176.000 -0.171 0.000 1.045 344 Q CA -0.258 55.502 55.803 -0.072 0.000 0.934 344 Q CB 0.061 28.838 28.738 0.064 0.000 1.276 344 Q HN 0.208 nan 8.270 nan 0.000 0.521 345 V N 0.401 120.139 119.914 -0.293 0.000 2.407 345 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 345 V C 0.299 176.101 176.094 -0.486 0.000 1.055 345 V CA 2.595 64.626 62.300 -0.449 0.000 1.049 345 V CB -0.096 31.172 31.823 -0.924 0.000 0.662 345 V HN 0.991 nan 8.190 nan 0.000 0.455 346 D N -3.332 116.692 120.400 -0.626 0.000 2.713 346 D HA 0.091 4.731 4.640 -0.000 0.000 0.306 346 D C 0.619 176.261 176.300 -1.097 0.000 1.299 346 D CA -0.050 53.439 54.000 -0.852 0.000 0.823 346 D CB 0.622 41.081 40.800 -0.568 0.000 1.353 346 D HN -0.031 nan 8.370 nan 0.000 0.447 347 E N -0.722 118.817 120.200 -1.102 0.000 2.106 347 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 347 E C 1.117 177.613 176.600 -0.174 0.000 0.984 347 E CA 1.542 57.561 56.400 -0.634 0.000 0.806 347 E CB -0.027 29.523 29.700 -0.251 0.000 0.750 347 E HN 0.517 nan 8.360 nan 0.000 0.458 348 T N 1.167 115.611 114.554 -0.183 0.000 2.708 348 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 348 T C 1.781 176.463 174.700 -0.029 0.000 1.037 348 T CA 1.141 63.198 62.100 -0.072 0.000 1.146 348 T CB -0.124 68.701 68.868 -0.071 0.000 0.865 348 T HN 0.144 nan 8.240 nan 0.000 0.435 349 Q N 0.099 119.851 119.800 -0.080 0.000 2.079 349 Q HA 0.018 4.358 4.340 -0.000 0.000 0.200 349 Q C 2.065 178.113 176.000 0.080 0.000 0.974 349 Q CA 1.025 56.838 55.803 0.017 0.000 0.840 349 Q CB -0.781 27.928 28.738 -0.049 0.000 0.898 349 Q HN 0.523 nan 8.270 nan 0.000 0.430 350 F N 2.097 121.973 119.950 -0.123 0.000 2.063 350 F HA -0.289 4.238 4.527 -0.000 0.000 0.298 350 F C 2.000 177.816 175.800 0.028 0.000 1.109 350 F CA 1.848 59.830 58.000 -0.029 0.000 1.212 350 F CB -0.015 38.970 39.000 -0.025 0.000 0.973 350 F HN 0.013 nan 8.300 nan 0.000 0.480 351 K N -0.202 120.234 120.400 0.060 0.000 2.062 351 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 351 K C 2.189 178.762 176.600 -0.046 0.000 1.051 351 K CA 1.140 57.410 56.287 -0.028 0.000 0.941 351 K CB -0.265 32.266 32.500 0.050 0.000 0.719 351 K HN 0.209 nan 8.250 nan 0.000 0.440 352 K N 1.099 121.503 120.400 0.007 0.000 2.044 352 K HA -0.142 4.178 4.320 -0.000 0.000 0.210 352 K C 2.106 178.767 176.600 0.101 0.000 1.049 352 K CA 1.406 57.709 56.287 0.027 0.000 0.927 352 K CB -0.173 32.400 32.500 0.121 0.000 0.713 352 K HN 0.112 nan 8.250 nan 0.000 0.443 353 I N 1.018 121.663 120.570 0.124 0.000 2.202 353 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 353 I C 2.215 178.380 176.117 0.079 0.000 1.091 353 I CA 1.062 62.461 61.300 0.164 0.000 1.368 353 I CB -0.271 37.783 38.000 0.091 0.000 1.058 353 I HN 0.121 nan 8.210 nan 0.000 0.410 354 L N 0.571 121.747 121.223 -0.079 0.000 2.042 354 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 354 L C 2.689 179.545 176.870 -0.024 0.000 1.076 354 L CA 1.660 56.443 54.840 -0.095 0.000 0.749 354 L CB -1.225 40.699 42.059 -0.225 0.000 0.893 354 L HN 0.351 nan 8.230 nan 0.000 0.432 355 G N -1.238 107.529 108.800 -0.055 0.000 2.418 355 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 355 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 355 G C 1.393 176.239 174.900 -0.090 0.000 1.158 355 G CA 0.591 45.629 45.100 -0.102 0.000 0.771 355 G HN 0.305 nan 8.290 nan 0.000 0.545 356 Y N 0.397 120.704 120.300 0.011 0.000 2.200 356 Y HA -0.003 4.547 4.550 -0.000 0.000 0.290 356 Y C 2.784 178.702 175.900 0.029 0.000 1.137 356 Y CA 0.671 58.779 58.100 0.013 0.000 1.163 356 Y CB -0.062 38.414 38.460 0.027 0.000 0.988 356 Y HN 0.107 nan 8.280 nan 0.000 0.518 357 I N 0.073 120.794 120.570 0.252 0.000 2.208 357 I HA -0.380 3.790 4.170 -0.000 0.000 0.245 357 I C 2.472 178.736 176.117 0.246 0.000 1.097 357 I CA 1.481 62.970 61.300 0.315 0.000 1.363 357 I CB -0.471 37.671 38.000 0.236 0.000 1.051 357 I HN 0.370 nan 8.210 nan 0.000 0.413 358 N N 0.415 119.191 118.700 0.126 0.000 2.120 358 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 358 N C 1.738 177.278 175.510 0.050 0.000 1.024 358 N CA 2.060 55.158 53.050 0.080 0.000 0.852 358 N CB 0.034 38.538 38.487 0.029 0.000 1.003 358 N HN 0.300 nan 8.380 nan 0.000 0.424 359 T N -0.259 114.309 114.554 0.023 0.000 2.759 359 T HA -0.087 4.263 4.350 -0.000 0.000 0.269 359 T C 1.748 176.414 174.700 -0.057 0.000 1.042 359 T CA 1.326 63.422 62.100 -0.006 0.000 1.140 359 T CB -0.648 68.228 68.868 0.014 0.000 0.864 359 T HN 0.431 nan 8.240 nan 0.000 0.455 360 G N 1.679 110.395 108.800 -0.139 0.000 2.404 360 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.215 360 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.215 360 G C 1.611 176.380 174.900 -0.219 0.000 1.174 360 G CA 0.504 45.308 45.100 -0.493 0.000 0.780 360 G HN 0.407 nan 8.290 nan 0.000 0.537 361 K N -0.158 120.293 120.400 0.086 0.000 2.009 361 K HA -0.160 4.160 4.320 -0.000 0.000 0.210 361 K C 2.610 179.252 176.600 0.070 0.000 1.049 361 K CA 1.581 57.973 56.287 0.176 0.000 0.929 361 K CB -0.230 32.378 32.500 0.180 0.000 0.714 361 K HN 0.223 nan 8.250 nan 0.000 0.440 362 Q N 1.145 120.966 119.800 0.035 0.000 2.135 362 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 362 Q C 1.176 177.178 176.000 0.004 0.000 0.981 362 Q CA 1.615 57.429 55.803 0.018 0.000 0.856 362 Q CB 0.143 28.885 28.738 0.007 0.000 0.902 362 Q HN 0.313 nan 8.270 nan 0.000 0.425 363 E N -2.082 118.106 120.200 -0.020 0.000 2.489 363 E HA 0.142 4.492 4.350 -0.000 0.000 0.193 363 E C 0.447 177.038 176.600 -0.015 0.000 1.057 363 E CA 0.356 56.741 56.400 -0.025 0.000 0.866 363 E CB 0.449 30.119 29.700 -0.050 0.000 0.916 363 E HN 0.484 nan 8.360 nan 0.000 0.500 364 G N 1.177 109.979 108.800 0.004 0.000 2.131 364 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.223 364 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.223 364 G C 0.275 175.202 174.900 0.045 0.000 0.990 364 G CA -0.061 45.057 45.100 0.030 0.000 0.671 364 G HN 0.420 nan 8.290 nan 0.000 0.521 365 A N 0.027 122.862 122.820 0.026 0.000 2.407 365 A HA 0.619 4.938 4.320 -0.000 0.000 0.248 365 A C 0.678 178.427 177.584 0.274 0.000 1.082 365 A CA 0.122 52.215 52.037 0.094 0.000 0.785 365 A CB 0.412 19.348 19.000 -0.107 0.000 1.020 365 A HN 0.329 nan 8.150 nan 0.000 0.489 366 K N 1.517 122.083 120.400 0.277 0.000 2.292 366 K HA 0.173 4.493 4.320 -0.000 0.000 0.290 366 K C -0.713 176.027 176.600 0.233 0.000 1.083 366 K CA -0.318 56.104 56.287 0.226 0.000 0.918 366 K CB 0.318 32.912 32.500 0.156 0.000 1.089 366 K HN 0.556 nan 8.250 nan 0.000 0.473 367 L N 5.639 126.947 121.223 0.142 0.000 2.433 367 L HA 0.024 4.363 4.340 -0.000 0.000 0.275 367 L C 0.407 177.208 176.870 -0.115 0.000 1.128 367 L CA 0.668 55.397 54.840 -0.186 0.000 0.875 367 L CB 0.236 42.198 42.059 -0.162 0.000 1.171 367 L HN 0.685 nan 8.230 nan 0.000 0.463 368 L N 4.906 126.040 121.223 -0.149 0.000 2.515 368 L HA 0.236 4.576 4.340 -0.000 0.000 0.223 368 L C 0.377 177.198 176.870 -0.081 0.000 1.079 368 L CA 0.160 54.958 54.840 -0.070 0.000 0.857 368 L CB -0.042 41.998 42.059 -0.032 0.000 1.050 368 L HN 0.847 nan 8.230 nan 0.000 0.476 369 C N -3.522 115.703 119.300 -0.125 0.000 3.231 369 C HA 0.707 5.166 4.460 -0.000 0.000 0.343 369 C C 0.737 175.660 174.990 -0.112 0.000 1.349 369 C CA -0.669 58.292 59.018 -0.094 0.000 1.209 369 C CB 0.748 28.449 27.740 -0.066 0.000 1.475 369 C HN 0.597 nan 8.230 nan 0.000 0.460 370 G N 0.699 109.455 108.800 -0.072 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 1.347 176.206 174.900 -0.069 0.000 1.225 370 G CA 2.386 47.455 45.100 -0.053 0.000 0.966 370 G HN 3.376 nan 8.290 nan 0.000 0.560 371 G N -2.143 106.623 108.800 -0.056 0.000 2.179 371 G HA2 0.479 4.439 3.960 -0.000 0.000 0.220 371 G HA3 0.479 4.439 3.960 -0.000 0.000 0.220 371 G C 1.334 176.234 174.900 -0.001 0.000 0.990 371 G CA 0.898 45.970 45.100 -0.048 0.000 0.646 371 G HN 2.625 nan 8.290 nan 0.000 0.517 372 G N -1.018 107.786 108.800 0.007 0.000 2.788 372 G HA2 0.665 4.625 3.960 -0.000 0.000 0.293 372 G HA3 0.665 4.625 3.960 -0.000 0.000 0.293 372 G C -0.314 174.612 174.900 0.043 0.000 1.392 372 G CA -0.763 44.347 45.100 0.016 0.000 0.810 372 G HN 0.625 nan 8.290 nan 0.000 0.508 373 I N 0.897 121.508 120.570 0.068 0.000 2.752 373 I HA 0.232 4.402 4.170 -0.000 0.000 0.287 373 I C 1.448 177.657 176.117 0.154 0.000 1.188 373 I CA 0.303 61.706 61.300 0.171 0.000 1.427 373 I CB 1.573 39.722 38.000 0.248 0.000 1.365 373 I HN 0.582 nan 8.210 nan 0.000 0.585 374 A N 4.784 127.729 122.820 0.208 0.000 2.288 374 A HA 0.716 5.036 4.320 -0.000 0.000 0.216 374 A C 0.649 178.266 177.584 0.054 0.000 1.199 374 A CA 0.630 52.743 52.037 0.126 0.000 0.891 374 A CB 0.219 19.312 19.000 0.156 0.000 0.923 374 A HN 0.810 nan 8.150 nan 0.000 0.500 375 A N -0.277 122.599 122.820 0.093 0.000 2.581 375 A HA 0.544 4.864 4.320 -0.000 0.000 0.290 375 A C -0.788 176.820 177.584 0.040 0.000 1.119 375 A CA 0.149 52.175 52.037 -0.018 0.000 0.670 375 A CB 0.174 19.039 19.000 -0.224 0.000 1.280 375 A HN 0.162 nan 8.150 nan 0.000 0.425 376 D N -0.683 119.708 120.400 -0.014 0.000 2.398 376 D HA 0.257 4.897 4.640 -0.000 0.000 0.210 376 D C 0.437 176.707 176.300 -0.049 0.000 1.094 376 D CA 0.127 54.121 54.000 -0.009 0.000 0.839 376 D CB 0.323 41.116 40.800 -0.011 0.000 0.963 376 D HN 0.371 nan 8.370 nan 0.000 0.506 377 R N 0.263 120.728 120.500 -0.059 0.000 2.670 377 R HA 0.600 4.940 4.340 -0.000 0.000 0.289 377 R C 0.283 176.550 176.300 -0.055 0.000 0.965 377 R CA -0.304 55.739 56.100 -0.095 0.000 0.899 377 R CB 2.049 32.305 30.300 -0.074 0.000 1.173 377 R HN 0.178 nan 8.270 nan 0.000 0.456 378 G N 1.089 109.697 108.800 -0.319 0.000 2.741 378 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.222 378 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.222 378 G C -0.891 173.491 174.900 -0.862 0.000 1.364 378 G CA -0.508 44.257 45.100 -0.557 0.000 0.866 378 G HN 0.641 nan 8.290 nan 0.000 0.555 379 Y N -0.227 119.761 120.300 -0.520 0.000 2.696 379 Y HA 0.556 5.106 4.550 -0.000 0.000 0.378 379 Y C 0.534 176.292 175.900 -0.236 0.000 1.012 379 Y CA -0.739 56.948 58.100 -0.689 0.000 1.396 379 Y CB 0.101 38.230 38.460 -0.551 0.000 1.415 379 Y HN 0.355 nan 8.280 nan 0.000 0.569 380 F N 1.652 121.675 119.950 0.123 0.000 2.396 380 F HA 0.485 5.012 4.527 -0.000 0.000 0.343 380 F C 0.291 176.283 175.800 0.319 0.000 1.104 380 F CA -0.745 57.368 58.000 0.188 0.000 1.161 380 F CB 0.710 39.750 39.000 0.067 0.000 1.146 380 F HN 0.022 nan 8.300 nan 0.000 0.522 381 I N 2.342 123.138 120.570 0.376 0.000 2.608 381 I HA 0.232 4.402 4.170 -0.000 0.000 0.295 381 I C -0.595 175.625 176.117 0.172 0.000 1.049 381 I CA -1.073 60.373 61.300 0.243 0.000 1.063 381 I CB 2.088 40.179 38.000 0.152 0.000 1.248 381 I HN 0.506 nan 8.210 nan 0.000 0.424 382 Q N 5.711 125.582 119.800 0.117 0.000 2.311 382 Q HA 0.158 4.498 4.340 -0.000 0.000 0.272 382 Q C -2.286 173.760 176.000 0.077 0.000 1.012 382 Q CA -1.546 54.300 55.803 0.071 0.000 0.891 382 Q CB 0.059 28.818 28.738 0.035 0.000 1.201 382 Q HN 0.232 nan 8.270 nan 0.000 0.391 383 P HA -0.076 nan 4.420 nan 0.000 0.261 383 P C -1.034 176.328 177.300 0.103 0.000 1.183 383 P CA 0.623 63.763 63.100 0.067 0.000 0.761 383 P CB 0.537 32.075 31.700 -0.269 0.000 0.785 384 T N 2.935 117.628 114.554 0.231 0.000 2.841 384 T HA 0.477 4.827 4.350 -0.000 0.000 0.283 384 T C -0.517 174.224 174.700 0.067 0.000 1.000 384 T CA -0.437 61.693 62.100 0.050 0.000 0.977 384 T CB 1.120 69.980 68.868 -0.012 0.000 0.979 384 T HN -0.055 nan 8.240 nan 0.000 0.446 385 V N 3.723 123.586 119.914 -0.085 0.000 2.531 385 V HA 0.546 4.666 4.120 -0.000 0.000 0.301 385 V C -1.064 174.905 176.094 -0.208 0.000 1.034 385 V CA -0.893 61.382 62.300 -0.041 0.000 0.865 385 V CB 1.322 33.171 31.823 0.044 0.000 0.995 385 V HN 0.826 nan 8.190 nan 0.000 0.424 386 F N 2.343 122.319 119.950 0.044 0.000 2.436 386 F HA 0.770 5.297 4.527 -0.000 0.000 0.340 386 F C 0.932 176.765 175.800 0.055 0.000 1.113 386 F CA -0.227 57.799 58.000 0.043 0.000 1.022 386 F CB 2.035 41.051 39.000 0.028 0.000 1.128 386 F HN 0.599 nan 8.300 nan 0.000 0.466 387 G N 0.579 109.535 108.800 0.260 0.000 2.509 387 G HA2 0.369 4.329 3.960 -0.000 0.000 0.328 387 G HA3 0.369 4.329 3.960 -0.000 0.000 0.328 387 G C -0.599 174.450 174.900 0.248 0.000 1.194 387 G CA -0.676 44.571 45.100 0.244 0.000 0.967 387 G HN 0.697 nan 8.290 nan 0.000 0.488 388 D N -1.174 119.398 120.400 0.287 0.000 2.751 388 D HA -0.163 4.476 4.640 -0.000 0.000 0.233 388 D C 0.629 176.985 176.300 0.093 0.000 1.149 388 D CA 0.653 54.742 54.000 0.149 0.000 0.682 388 D CB -1.243 39.624 40.800 0.111 0.000 1.068 388 D HN 0.200 nan 8.370 nan 0.000 0.429 389 V N 0.802 120.770 119.914 0.090 0.000 2.715 389 V HA 0.031 4.151 4.120 -0.000 0.000 0.299 389 V C 0.885 176.980 176.094 0.003 0.000 1.054 389 V CA 0.164 62.477 62.300 0.023 0.000 1.077 389 V CB 1.639 33.458 31.823 -0.008 0.000 0.972 389 V HN 0.052 nan 8.190 nan 0.000 0.484 390 Q N 2.122 121.919 119.800 -0.005 0.000 2.301 390 Q HA 0.334 4.674 4.340 -0.000 0.000 0.267 390 Q C 0.380 176.387 176.000 0.011 0.000 1.035 390 Q CA -0.761 55.049 55.803 0.012 0.000 0.856 390 Q CB 1.595 30.341 28.738 0.015 0.000 1.337 390 Q HN 0.652 nan 8.270 nan 0.000 0.450 391 D N 1.236 121.663 120.400 0.045 0.000 2.182 391 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 391 D C 1.499 177.821 176.300 0.037 0.000 0.986 391 D CA 1.568 55.604 54.000 0.060 0.000 0.847 391 D CB -0.028 40.832 40.800 0.100 0.000 0.942 391 D HN 0.826 nan 8.370 nan 0.000 0.467 392 G N -0.233 108.584 108.800 0.027 0.000 2.650 392 G HA2 -0.028 3.931 3.960 -0.000 0.000 0.214 392 G HA3 -0.028 3.931 3.960 -0.000 0.000 0.214 392 G C 0.770 175.675 174.900 0.009 0.000 1.136 392 G CA -0.179 44.932 45.100 0.019 0.000 0.789 392 G HN 0.166 nan 8.290 nan 0.000 0.536 393 M N 0.593 120.190 119.600 -0.005 0.000 2.248 393 M HA 0.122 4.602 4.480 -0.000 0.000 0.337 393 M C 1.870 178.161 176.300 -0.014 0.000 1.121 393 M CA -0.075 55.211 55.300 -0.024 0.000 1.155 393 M CB 0.956 33.520 32.600 -0.060 0.000 1.514 393 M HN -0.059 nan 8.290 nan 0.000 0.452 394 T N 2.626 117.178 114.554 -0.003 0.000 2.684 394 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 394 T C 1.502 176.216 174.700 0.024 0.000 1.036 394 T CA 1.766 63.892 62.100 0.043 0.000 1.148 394 T CB -0.408 68.510 68.868 0.085 0.000 0.863 394 T HN 0.771 nan 8.240 nan 0.000 0.436 395 I N -0.467 120.078 120.570 -0.042 0.000 3.083 395 I HA 0.186 4.356 4.170 -0.000 0.000 0.273 395 I C 2.142 178.193 176.117 -0.110 0.000 1.297 395 I CA 0.793 62.025 61.300 -0.114 0.000 1.452 395 I CB -0.349 37.520 38.000 -0.220 0.000 1.078 395 I HN 0.082 nan 8.210 nan 0.000 0.484 396 A N 1.000 123.779 122.820 -0.069 0.000 2.220 396 A HA 0.196 4.516 4.320 -0.000 0.000 0.211 396 A C 2.169 179.754 177.584 0.003 0.000 1.176 396 A CA 0.160 52.168 52.037 -0.049 0.000 0.834 396 A CB -0.024 18.950 19.000 -0.044 0.000 0.868 396 A HN 0.420 nan 8.150 nan 0.000 0.488 397 K N -0.269 120.144 120.400 0.021 0.000 2.367 397 K HA 0.159 4.479 4.320 -0.000 0.000 0.198 397 K C -0.166 176.507 176.600 0.121 0.000 1.132 397 K CA 0.289 56.620 56.287 0.073 0.000 0.941 397 K CB 0.546 33.083 32.500 0.062 0.000 1.052 397 K HN 0.429 nan 8.250 nan 0.000 0.507 398 E N 1.753 121.990 120.200 0.062 0.000 2.214 398 E HA 0.099 4.449 4.350 -0.000 0.000 0.274 398 E C -1.020 175.521 176.600 -0.100 0.000 0.977 398 E CA -0.397 56.045 56.400 0.070 0.000 0.827 398 E CB 1.858 31.632 29.700 0.123 0.000 1.130 398 E HN 0.069 nan 8.360 nan 0.000 0.394 399 E N 2.943 123.114 120.200 -0.048 0.000 2.265 399 E HA 0.002 4.352 4.350 -0.000 0.000 0.272 399 E C 0.247 176.714 176.600 -0.222 0.000 1.067 399 E CA 0.024 56.344 56.400 -0.132 0.000 0.900 399 E CB 0.405 30.024 29.700 -0.134 0.000 1.017 399 E HN 0.526 nan 8.360 nan 0.000 0.431 400 I N 4.408 124.817 120.570 -0.268 0.000 2.585 400 I HA -0.053 4.117 4.170 -0.000 0.000 0.254 400 I C 0.508 176.685 176.117 0.099 0.000 1.129 400 I CA 0.075 61.172 61.300 -0.338 0.000 1.455 400 I CB 0.097 37.904 38.000 -0.322 0.000 1.111 400 I HN 0.698 nan 8.210 nan 0.000 0.433 401 F N 1.447 121.344 119.950 -0.089 0.000 3.074 401 F HA -0.182 4.345 4.527 -0.000 0.000 0.289 401 F C 0.408 176.231 175.800 0.039 0.000 0.863 401 F CA 0.609 58.609 58.000 -0.000 0.000 1.121 401 F CB -1.359 37.686 39.000 0.075 0.000 1.169 401 F HN 0.151 nan 8.300 nan 0.000 0.570 402 G N -1.070 107.739 108.800 0.015 0.000 2.788 402 G HA2 0.652 4.612 3.960 -0.000 0.000 0.293 402 G HA3 0.652 4.612 3.960 -0.000 0.000 0.293 402 G C -3.052 171.818 174.900 -0.050 0.000 1.392 402 G CA -0.927 44.178 45.100 0.009 0.000 0.810 402 G HN -0.218 nan 8.290 nan 0.000 0.508 403 P HA 0.328 nan 4.420 nan 0.000 0.226 403 P C -0.675 176.668 177.300 0.073 0.000 1.783 403 P CA -0.145 63.014 63.100 0.099 0.000 0.980 403 P CB 0.280 32.154 31.700 0.290 0.000 1.967 404 V N 2.473 122.317 119.914 -0.117 0.000 2.419 404 V HA 0.357 4.477 4.120 -0.000 0.000 0.287 404 V C 0.000 176.014 176.094 -0.135 0.000 1.017 404 V CA -0.636 61.652 62.300 -0.019 0.000 0.844 404 V CB 1.886 33.766 31.823 0.095 0.000 1.011 404 V HN 0.287 nan 8.190 nan 0.000 0.429 405 M N 4.048 123.569 119.600 -0.131 0.000 2.209 405 M HA 0.600 5.080 4.480 -0.000 0.000 0.355 405 M C -0.760 175.558 176.300 0.031 0.000 1.171 405 M CA -0.276 54.928 55.300 -0.160 0.000 1.069 405 M CB 1.426 33.919 32.600 -0.179 0.000 1.622 405 M HN 0.624 nan 8.290 nan 0.000 0.459 406 Q N 5.177 124.966 119.800 -0.018 0.000 2.325 406 Q HA 0.583 4.923 4.340 -0.000 0.000 0.262 406 Q C -1.224 174.765 176.000 -0.018 0.000 0.968 406 Q CA 0.028 55.841 55.803 0.016 0.000 0.877 406 Q CB 1.702 30.406 28.738 -0.057 0.000 1.253 406 Q HN 0.699 nan 8.270 nan 0.000 0.448 407 I N 4.070 124.671 120.570 0.052 0.000 2.362 407 I HA 0.398 4.568 4.170 -0.000 0.000 0.289 407 I C -0.905 175.280 176.117 0.113 0.000 0.994 407 I CA -0.911 60.426 61.300 0.062 0.000 1.158 407 I CB 0.842 38.905 38.000 0.104 0.000 1.315 407 I HN 0.325 nan 8.210 nan 0.000 0.451 408 L N 6.298 127.531 121.223 0.017 0.000 2.319 408 L HA 0.567 4.907 4.340 -0.000 0.000 0.267 408 L C -0.166 176.856 176.870 0.253 0.000 1.011 408 L CA -0.546 54.317 54.840 0.039 0.000 0.818 408 L CB 1.442 43.327 42.059 -0.289 0.000 1.316 408 L HN 0.468 nan 8.230 nan 0.000 0.432 409 K N 1.465 121.973 120.400 0.180 0.000 2.259 409 K HA 0.725 5.045 4.320 -0.000 0.000 0.252 409 K C -1.556 175.200 176.600 0.261 0.000 0.936 409 K CA -0.464 55.886 56.287 0.105 0.000 0.810 409 K CB 1.535 33.779 32.500 -0.427 0.000 1.143 409 K HN 0.535 nan 8.250 nan 0.000 0.427 410 F N 1.029 121.045 119.950 0.109 0.000 2.664 410 F HA 0.473 5.000 4.527 -0.000 0.000 0.317 410 F C 0.203 176.031 175.800 0.047 0.000 1.108 410 F CA -0.930 57.124 58.000 0.090 0.000 0.957 410 F CB 1.583 40.658 39.000 0.125 0.000 1.365 410 F HN 0.549 nan 8.300 nan 0.000 0.475 411 K N -0.046 120.409 120.400 0.091 0.000 2.266 411 K HA 0.225 4.545 4.320 -0.000 0.000 0.209 411 K C 0.269 176.926 176.600 0.096 0.000 1.065 411 K CA 1.003 57.270 56.287 -0.033 0.000 0.946 411 K CB 0.232 32.741 32.500 0.016 0.000 1.069 411 K HN 0.903 nan 8.250 nan 0.000 0.472 412 T N -2.019 112.691 114.554 0.260 0.000 2.952 412 T HA 0.270 4.620 4.350 -0.000 0.000 0.286 412 T C 1.149 176.017 174.700 0.280 0.000 1.024 412 T CA -0.855 61.374 62.100 0.214 0.000 1.029 412 T CB 1.443 70.372 68.868 0.102 0.000 1.094 412 T HN 0.202 nan 8.240 nan 0.000 0.515 413 I N 0.405 121.078 120.570 0.172 0.000 2.353 413 I HA -0.069 4.100 4.170 -0.000 0.000 0.248 413 I C 2.154 178.317 176.117 0.077 0.000 1.119 413 I CA 1.378 62.748 61.300 0.116 0.000 1.417 413 I CB -0.033 38.003 38.000 0.061 0.000 1.078 413 I HN 0.770 nan 8.210 nan 0.000 0.421 414 E N 0.685 120.925 120.200 0.066 0.000 2.077 414 E HA -0.289 4.061 4.350 -0.000 0.000 0.193 414 E C 1.966 178.576 176.600 0.017 0.000 0.989 414 E CA 1.437 57.881 56.400 0.073 0.000 0.800 414 E CB -0.255 29.475 29.700 0.050 0.000 0.746 414 E HN 0.506 nan 8.360 nan 0.000 0.452 415 E N 0.472 120.683 120.200 0.019 0.000 2.038 415 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 415 E C 2.117 178.632 176.600 -0.141 0.000 1.000 415 E CA 1.351 57.746 56.400 -0.007 0.000 0.803 415 E CB -0.084 29.664 29.700 0.080 0.000 0.750 415 E HN 0.187 nan 8.360 nan 0.000 0.448 416 V N 0.391 120.131 119.914 -0.289 0.000 2.515 416 V HA -0.178 3.942 4.120 -0.000 0.000 0.250 416 V C 2.354 178.113 176.094 -0.560 0.000 1.058 416 V CA 1.308 63.183 62.300 -0.708 0.000 1.064 416 V CB 0.046 31.031 31.823 -1.397 0.000 0.675 416 V HN 0.213 nan 8.190 nan 0.000 0.461 417 V N 0.823 120.553 119.914 -0.306 0.000 2.255 417 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 417 V C 2.692 178.665 176.094 -0.203 0.000 1.051 417 V CA 2.378 64.545 62.300 -0.223 0.000 1.018 417 V CB -1.420 30.338 31.823 -0.107 0.000 0.641 417 V HN 0.638 nan 8.190 nan 0.000 0.445 418 G N -0.692 108.019 108.800 -0.149 0.000 2.422 418 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 418 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 418 G C 1.741 176.572 174.900 -0.115 0.000 1.146 418 G CA 0.539 45.576 45.100 -0.104 0.000 0.769 418 G HN 0.420 nan 8.290 nan 0.000 0.547 419 R N 0.354 120.744 120.500 -0.183 0.000 2.075 419 R HA 0.117 4.457 4.340 -0.000 0.000 0.226 419 R C 3.049 179.259 176.300 -0.150 0.000 1.114 419 R CA 0.980 56.995 56.100 -0.141 0.000 0.972 419 R CB -0.460 29.739 30.300 -0.168 0.000 0.869 419 R HN 0.332 nan 8.270 nan 0.000 0.437 420 A N 1.970 124.562 122.820 -0.380 0.000 1.908 420 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 420 A C 1.707 179.246 177.584 -0.076 0.000 1.181 420 A CA 1.543 53.440 52.037 -0.234 0.000 0.627 420 A CB -0.408 18.385 19.000 -0.345 0.000 0.818 420 A HN 0.243 nan 8.150 nan 0.000 0.445 421 N N 0.168 118.803 118.700 -0.108 0.000 2.494 421 N HA -0.064 4.676 4.740 -0.000 0.000 0.182 421 N C 0.319 175.811 175.510 -0.029 0.000 1.076 421 N CA 0.382 53.390 53.050 -0.069 0.000 0.908 421 N CB -0.482 37.952 38.487 -0.089 0.000 0.967 421 N HN 0.440 nan 8.380 nan 0.000 0.449 422 N N 0.973 119.663 118.700 -0.016 0.000 3.050 422 N HA 0.040 4.779 4.740 -0.000 0.000 0.289 422 N C -1.277 174.251 175.510 0.030 0.000 1.209 422 N CA 0.057 53.111 53.050 0.005 0.000 1.154 422 N CB -0.209 38.284 38.487 0.011 0.000 1.444 422 N HN -0.080 nan 8.380 nan 0.000 0.529 423 S N -0.122 115.591 115.700 0.021 0.000 2.567 423 S HA 0.285 4.754 4.470 -0.000 0.000 0.270 423 S C 0.619 175.209 174.600 -0.017 0.000 1.152 423 S CA -0.441 57.778 58.200 0.031 0.000 0.835 423 S CB 0.242 63.505 63.200 0.104 0.000 1.115 423 S HN 0.374 nan 8.310 nan 0.000 0.459 424 T N 0.409 114.899 114.554 -0.107 0.000 3.107 424 T HA 0.308 4.658 4.350 -0.000 0.000 0.249 424 T C 0.445 175.020 174.700 -0.208 0.000 1.096 424 T CA 0.327 62.319 62.100 -0.179 0.000 1.012 424 T CB -0.512 68.202 68.868 -0.256 0.000 0.977 424 T HN 0.531 nan 8.240 nan 0.000 0.527 425 Y N 0.641 120.955 120.300 0.023 0.000 2.392 425 Y HA 0.577 5.127 4.550 -0.000 0.000 0.323 425 Y C 1.384 177.292 175.900 0.013 0.000 1.291 425 Y CA -0.689 57.426 58.100 0.025 0.000 1.345 425 Y CB 1.437 39.917 38.460 0.033 0.000 1.320 425 Y HN 0.125 nan 8.280 nan 0.000 0.518 426 G N 0.697 109.617 108.800 0.200 0.000 5.473 426 G HA2 0.032 3.992 3.960 -0.000 0.000 0.206 426 G HA3 0.032 3.992 3.960 -0.000 0.000 0.206 426 G C -0.072 174.815 174.900 -0.022 0.000 0.904 426 G CA -0.300 44.831 45.100 0.052 0.000 0.697 426 G HN 0.525 nan 8.290 nan 0.000 0.279 427 L N 0.757 121.973 121.223 -0.012 0.000 2.023 427 L HA 0.706 5.046 4.340 -0.000 0.000 0.205 427 L C 1.189 177.897 176.870 -0.271 0.000 1.073 427 L CA 2.510 57.279 54.840 -0.118 0.000 0.745 427 L CB -0.166 41.880 42.059 -0.022 0.000 0.900 427 L HN 0.509 nan 8.230 nan 0.000 0.435 428 A N -2.323 120.392 122.820 -0.175 0.000 2.583 428 A HA 0.898 5.218 4.320 -0.000 0.000 0.289 428 A C -1.426 176.073 177.584 -0.142 0.000 1.151 428 A CA -0.100 51.766 52.037 -0.285 0.000 0.695 428 A CB 0.962 19.802 19.000 -0.267 0.000 1.290 428 A HN 0.535 nan 8.150 nan 0.000 0.419 429 A N -1.220 121.489 122.820 -0.184 0.000 2.601 429 A HA 0.982 5.302 4.320 -0.000 0.000 0.291 429 A C -0.672 176.967 177.584 0.090 0.000 1.075 429 A CA 0.091 52.137 52.037 0.015 0.000 0.671 429 A CB 0.706 19.666 19.000 -0.066 0.000 1.277 429 A HN 2.647 nan 8.150 nan 0.000 0.417 430 A N -0.244 122.753 122.820 0.295 0.000 2.539 430 A HA 0.821 5.141 4.320 -0.000 0.000 0.296 430 A C -1.462 176.318 177.584 0.325 0.000 1.073 430 A CA -0.545 51.719 52.037 0.379 0.000 0.700 430 A CB 1.671 21.127 19.000 0.761 0.000 1.296 430 A HN 1.729 nan 8.150 nan 0.000 0.405 431 V N 1.079 121.132 119.914 0.232 0.000 2.577 431 V HA 0.515 4.635 4.120 -0.000 0.000 0.303 431 V C -1.604 174.576 176.094 0.142 0.000 1.042 431 V CA -0.224 62.203 62.300 0.210 0.000 0.872 431 V CB 1.379 33.259 31.823 0.095 0.000 0.998 431 V HN 0.703 nan 8.190 nan 0.000 0.423 432 F N 2.937 122.998 119.950 0.185 0.000 2.375 432 F HA 0.756 5.283 4.527 -0.000 0.000 0.361 432 F C 0.380 176.288 175.800 0.180 0.000 1.117 432 F CA -0.205 57.918 58.000 0.204 0.000 1.037 432 F CB 1.984 41.114 39.000 0.217 0.000 1.192 432 F HN 0.502 nan 8.300 nan 0.000 0.452 433 T N 1.989 116.688 114.554 0.242 0.000 2.830 433 T HA 0.287 4.636 4.350 -0.000 0.000 0.322 433 T C 0.208 174.991 174.700 0.138 0.000 1.501 433 T CA -0.668 61.545 62.100 0.188 0.000 1.036 433 T CB 1.513 70.472 68.868 0.151 0.000 1.379 433 T HN 0.632 nan 8.240 nan 0.000 0.493 434 K N 0.777 121.249 120.400 0.119 0.000 2.361 434 K HA 0.171 4.490 4.320 -0.000 0.000 0.194 434 K C -0.118 176.520 176.600 0.063 0.000 1.032 434 K CA 0.002 56.339 56.287 0.084 0.000 1.048 434 K CB 0.215 32.762 32.500 0.079 0.000 0.842 434 K HN 0.509 nan 8.250 nan 0.000 0.526 435 D N 0.919 121.360 120.400 0.068 0.000 2.317 435 D HA 0.003 4.643 4.640 -0.000 0.000 0.252 435 D C 0.895 177.224 176.300 0.049 0.000 1.174 435 D CA -0.265 53.767 54.000 0.053 0.000 0.866 435 D CB 1.013 41.845 40.800 0.054 0.000 1.127 435 D HN -0.159 nan 8.370 nan 0.000 0.467 436 L N 4.303 125.549 121.223 0.038 0.000 1.971 436 L HA -0.172 4.168 4.340 -0.000 0.000 0.215 436 L C 1.290 178.185 176.870 0.043 0.000 1.072 436 L CA 2.008 56.868 54.840 0.035 0.000 0.758 436 L CB -0.536 41.539 42.059 0.026 0.000 0.889 436 L HN 0.511 nan 8.230 nan 0.000 0.433 437 D N -0.314 120.110 120.400 0.040 0.000 2.104 437 D HA -0.185 4.455 4.640 -0.000 0.000 0.194 437 D C 2.208 178.555 176.300 0.077 0.000 0.994 437 D CA 1.489 55.518 54.000 0.048 0.000 0.830 437 D CB -0.106 40.708 40.800 0.023 0.000 0.959 437 D HN 0.417 nan 8.370 nan 0.000 0.452 438 K N 0.541 120.981 120.400 0.067 0.000 2.057 438 K HA -0.071 4.249 4.320 -0.000 0.000 0.207 438 K C 2.156 178.833 176.600 0.128 0.000 1.049 438 K CA 1.192 57.539 56.287 0.100 0.000 0.931 438 K CB -0.134 32.418 32.500 0.086 0.000 0.714 438 K HN 0.034 nan 8.250 nan 0.000 0.440 439 A N 2.050 124.923 122.820 0.088 0.000 1.908 439 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 439 A C 1.869 179.486 177.584 0.054 0.000 1.181 439 A CA 1.784 53.859 52.037 0.064 0.000 0.627 439 A CB -0.486 18.539 19.000 0.042 0.000 0.818 439 A HN 0.236 nan 8.150 nan 0.000 0.445 440 N N -1.688 117.051 118.700 0.065 0.000 2.171 440 N HA -0.129 4.610 4.740 -0.000 0.000 0.184 440 N C 1.612 177.160 175.510 0.063 0.000 1.021 440 N CA 1.555 54.634 53.050 0.048 0.000 0.854 440 N CB -0.599 37.917 38.487 0.048 0.000 0.994 440 N HN 0.649 nan 8.380 nan 0.000 0.426 441 Y N 1.746 122.038 120.300 -0.015 0.000 2.097 441 Y HA -0.123 4.427 4.550 -0.000 0.000 0.282 441 Y C 2.220 178.099 175.900 -0.036 0.000 1.152 441 Y CA 1.485 59.573 58.100 -0.021 0.000 1.136 441 Y CB -0.471 37.982 38.460 -0.012 0.000 0.975 441 Y HN -0.035 nan 8.280 nan 0.000 0.498 442 L N -0.335 120.915 121.223 0.046 0.000 2.027 442 L HA -0.222 4.117 4.340 -0.000 0.000 0.206 442 L C 2.807 179.592 176.870 -0.142 0.000 1.074 442 L CA 1.660 56.456 54.840 -0.073 0.000 0.745 442 L CB -0.853 41.224 42.059 0.029 0.000 0.898 442 L HN 0.389 nan 8.230 nan 0.000 0.433 443 S N -0.879 114.764 115.700 -0.094 0.000 2.399 443 S HA -0.303 4.167 4.470 -0.000 0.000 0.231 443 S C 1.919 176.425 174.600 -0.156 0.000 1.022 443 S CA 1.462 59.590 58.200 -0.120 0.000 0.983 443 S CB -0.410 62.738 63.200 -0.086 0.000 0.803 443 S HN 0.522 nan 8.310 nan 0.000 0.480 444 Q N 1.095 120.801 119.800 -0.157 0.000 2.083 444 Q HA 0.084 4.423 4.340 -0.000 0.000 0.198 444 Q C 2.197 178.069 176.000 -0.214 0.000 0.969 444 Q CA 1.193 56.898 55.803 -0.163 0.000 0.838 444 Q CB -0.473 28.181 28.738 -0.140 0.000 0.900 444 Q HN 0.719 nan 8.270 nan 0.000 0.436 445 A N 0.442 123.077 122.820 -0.310 0.000 2.021 445 A HA 0.139 4.459 4.320 -0.000 0.000 0.216 445 A C 0.843 178.275 177.584 -0.255 0.000 1.163 445 A CA -0.006 51.833 52.037 -0.330 0.000 0.676 445 A CB -0.180 18.496 19.000 -0.540 0.000 0.818 445 A HN 0.347 nan 8.150 nan 0.000 0.453 446 L N 1.007 122.079 121.223 -0.251 0.000 2.410 446 L HA 0.079 4.419 4.340 -0.000 0.000 0.273 446 L C 0.061 176.742 176.870 -0.314 0.000 1.144 446 L CA -0.135 54.557 54.840 -0.247 0.000 0.863 446 L CB 0.582 42.504 42.059 -0.227 0.000 1.140 446 L HN 0.367 nan 8.230 nan 0.000 0.463 447 Q N 3.806 123.428 119.800 -0.298 0.000 2.844 447 Q HA 0.522 4.862 4.340 -0.000 0.000 0.235 447 Q C -0.375 175.221 176.000 -0.674 0.000 1.336 447 Q CA -0.251 55.302 55.803 -0.418 0.000 1.026 447 Q CB 0.715 29.375 28.738 -0.128 0.000 1.513 447 Q HN 0.690 nan 8.270 nan 0.000 0.577 448 A N -0.098 122.096 122.820 -1.043 0.000 2.572 448 A HA 0.688 5.008 4.320 -0.000 0.000 0.295 448 A C 0.845 177.871 177.584 -0.931 0.000 1.072 448 A CA -0.411 51.133 52.037 -0.821 0.000 0.691 448 A CB 1.135 19.864 19.000 -0.451 0.000 1.291 448 A HN 0.534 nan 8.150 nan 0.000 0.404 449 G N -0.171 108.346 108.800 -0.471 0.000 2.422 449 G HA2 0.280 4.240 3.960 -0.000 0.000 0.218 449 G HA3 0.280 4.240 3.960 -0.000 0.000 0.218 449 G C 0.498 175.135 174.900 -0.438 0.000 1.140 449 G CA 1.694 46.633 45.100 -0.268 0.000 0.775 449 G HN 0.842 nan 8.290 nan 0.000 0.545 450 T N -0.162 114.029 114.554 -0.605 0.000 2.879 450 T HA 0.496 4.846 4.350 -0.000 0.000 0.290 450 T C -1.055 173.171 174.700 -0.789 0.000 0.993 450 T CA -0.407 61.247 62.100 -0.744 0.000 0.975 450 T CB 2.643 70.900 68.868 -1.018 0.000 0.981 450 T HN -0.097 nan 8.240 nan 0.000 0.439 451 V N 4.074 123.613 119.914 -0.625 0.000 2.357 451 V HA 0.415 4.534 4.120 -0.000 0.000 0.284 451 V C -0.563 175.295 176.094 -0.392 0.000 1.018 451 V CA -1.024 61.008 62.300 -0.448 0.000 0.841 451 V CB 1.011 32.669 31.823 -0.275 0.000 0.991 451 V HN 0.759 nan 8.190 nan 0.000 0.437 452 W N 3.675 124.863 121.300 -0.186 0.000 2.365 452 W HA 0.595 5.255 4.660 -0.000 0.000 0.316 452 W C -0.487 175.942 176.519 -0.150 0.000 1.164 452 W CA -0.677 56.561 57.345 -0.178 0.000 1.204 452 W CB 1.755 31.073 29.460 -0.238 0.000 1.213 452 W HN 0.263 nan 8.180 nan 0.000 0.539 453 V N 4.784 124.739 119.914 0.069 0.000 2.378 453 V HA 0.129 4.249 4.120 -0.000 0.000 0.288 453 V C 0.229 176.209 176.094 -0.189 0.000 1.016 453 V CA -0.956 61.301 62.300 -0.070 0.000 0.840 453 V CB 1.070 32.876 31.823 -0.029 0.000 0.994 453 V HN 0.667 nan 8.190 nan 0.000 0.431 454 N N 1.978 120.322 118.700 -0.593 0.000 2.714 454 N HA -0.180 4.560 4.740 -0.000 0.000 0.250 454 N C -0.209 175.181 175.510 -0.199 0.000 1.117 454 N CA 1.329 53.962 53.050 -0.695 0.000 0.719 454 N CB -1.133 37.314 38.487 -0.068 0.000 1.081 454 N HN 1.048 nan 8.380 nan 0.000 0.557 455 C N -4.188 114.938 119.300 -0.289 0.000 3.284 455 C HA 0.816 5.276 4.460 -0.000 0.000 0.348 455 C C -0.992 174.083 174.990 0.141 0.000 1.448 455 C CA -1.348 57.755 59.018 0.141 0.000 1.223 455 C CB 1.833 29.650 27.740 0.127 0.000 1.588 455 C HN 0.259 nan 8.230 nan 0.000 0.451 456 Y N -0.182 119.996 120.300 -0.203 0.000 2.552 456 Y HA 0.467 5.017 4.550 -0.000 0.000 0.337 456 Y C -0.393 174.899 175.900 -1.013 0.000 1.094 456 Y CA 0.364 58.102 58.100 -0.602 0.000 1.028 456 Y CB 1.360 39.746 38.460 -0.125 0.000 1.321 456 Y HN 1.014 nan 8.280 nan 0.000 0.456 457 D N 1.943 121.010 120.400 -2.222 0.000 2.772 457 D HA -0.135 4.505 4.640 -0.000 0.000 0.233 457 D C -1.020 174.823 176.300 -0.763 0.000 1.143 457 D CA 0.910 54.187 54.000 -1.204 0.000 0.700 457 D CB -1.000 39.640 40.800 -0.268 0.000 1.076 457 D HN 0.164 nan 8.370 nan 0.000 0.430 458 V N 1.263 120.503 119.914 -1.125 0.000 2.353 458 V HA 0.336 4.456 4.120 -0.000 0.000 0.264 458 V C 0.466 176.446 176.094 -0.189 0.000 1.049 458 V CA -0.211 61.883 62.300 -0.343 0.000 0.896 458 V CB 0.146 31.864 31.823 -0.175 0.000 1.025 458 V HN -0.005 nan 8.190 nan 0.000 0.475 459 F N 2.601 122.610 119.950 0.099 0.000 2.469 459 F HA 0.800 5.327 4.527 -0.000 0.000 0.332 459 F C 0.739 176.557 175.800 0.030 0.000 1.103 459 F CA -0.540 57.516 58.000 0.092 0.000 0.979 459 F CB 2.219 41.255 39.000 0.060 0.000 1.137 459 F HN 0.517 nan 8.300 nan 0.000 0.463 460 G N 0.447 109.333 108.800 0.143 0.000 2.617 460 G HA2 0.515 4.475 3.960 -0.000 0.000 0.306 460 G HA3 0.515 4.475 3.960 -0.000 0.000 0.306 460 G C 0.225 175.036 174.900 -0.149 0.000 1.360 460 G CA -0.433 44.670 45.100 0.006 0.000 0.983 460 G HN 0.887 nan 8.290 nan 0.000 0.496 461 A N 1.533 124.194 122.820 -0.264 0.000 2.084 461 A HA -0.104 4.216 4.320 -0.000 0.000 0.221 461 A C 2.129 179.071 177.584 -1.069 0.000 1.161 461 A CA 1.995 53.682 52.037 -0.582 0.000 0.653 461 A CB -0.089 18.589 19.000 -0.536 0.000 0.802 461 A HN 0.639 nan 8.150 nan 0.000 0.457 462 Q N -0.602 118.754 119.800 -0.740 0.000 2.408 462 Q HA 0.166 4.506 4.340 -0.000 0.000 0.205 462 Q C -0.061 175.862 176.000 -0.127 0.000 0.919 462 Q CA 0.455 55.937 55.803 -0.534 0.000 0.932 462 Q CB -0.285 28.361 28.738 -0.153 0.000 1.058 462 Q HN 0.383 nan 8.270 nan 0.000 0.517 463 S N 3.964 119.597 115.700 -0.112 0.000 2.437 463 S HA 0.477 4.947 4.470 -0.000 0.000 0.305 463 S C -2.455 172.141 174.600 -0.007 0.000 1.109 463 S CA -1.164 57.032 58.200 -0.007 0.000 1.099 463 S CB 1.707 64.907 63.200 0.001 0.000 1.004 463 S HN 0.147 nan 8.310 nan 0.000 0.475 464 P HA 0.321 nan 4.420 nan 0.000 0.272 464 P C -0.974 176.337 177.300 0.018 0.000 1.230 464 P CA -0.272 62.818 63.100 -0.018 0.000 0.788 464 P CB 0.401 31.973 31.700 -0.213 0.000 0.949 465 F N 0.448 120.322 119.950 -0.127 0.000 2.596 465 F HA 0.646 5.173 4.527 -0.000 0.000 0.311 465 F C -0.367 175.425 175.800 -0.013 0.000 1.116 465 F CA 0.306 58.267 58.000 -0.065 0.000 0.957 465 F CB 2.088 41.110 39.000 0.037 0.000 1.250 465 F HN 0.705 nan 8.300 nan 0.000 0.444 466 G N 2.191 110.645 108.800 -0.577 0.000 2.316 466 G HA2 0.450 4.410 3.960 -0.000 0.000 0.296 466 G HA3 0.450 4.410 3.960 -0.000 0.000 0.296 466 G C -1.496 173.232 174.900 -0.287 0.000 1.399 466 G CA -0.234 44.693 45.100 -0.289 0.000 0.833 466 G HN 1.013 nan 8.290 nan 0.000 0.565 467 G N -1.159 107.575 108.800 -0.110 0.000 2.389 467 G HA2 0.581 4.541 3.960 -0.000 0.000 0.317 467 G HA3 0.581 4.541 3.960 -0.000 0.000 0.317 467 G C -0.895 174.055 174.900 0.082 0.000 1.137 467 G CA -0.367 44.722 45.100 -0.020 0.000 0.870 467 G HN 0.460 nan 8.290 nan 0.000 0.496 468 Y N 0.890 121.123 120.300 -0.112 0.000 2.334 468 Y HA 0.332 4.882 4.550 -0.000 0.000 0.325 468 Y C 1.579 177.454 175.900 -0.043 0.000 1.308 468 Y CA -0.403 57.647 58.100 -0.084 0.000 1.389 468 Y CB 1.041 39.445 38.460 -0.092 0.000 1.328 468 Y HN 0.846 nan 8.280 nan 0.000 0.532 469 K N -0.413 120.035 120.400 0.079 0.000 1.779 469 K HA -0.327 3.993 4.320 -0.000 0.000 0.128 469 K C 0.658 177.273 176.600 0.025 0.000 1.288 469 K CA 1.960 58.269 56.287 0.036 0.000 0.398 469 K CB -1.104 31.427 32.500 0.051 0.000 0.609 469 K HN 0.649 nan 8.250 nan 0.000 0.874 470 M N 0.865 120.475 119.600 0.017 0.000 2.505 470 M HA 0.058 4.538 4.480 -0.000 0.000 0.230 470 M C 0.973 177.348 176.300 0.126 0.000 1.153 470 M CA 0.429 55.739 55.300 0.016 0.000 0.997 470 M CB 0.406 32.957 32.600 -0.082 0.000 1.606 470 M HN 0.302 nan 8.290 nan 0.000 0.481 471 S N 0.720 116.527 115.700 0.178 0.000 2.603 471 S HA 0.293 4.763 4.470 -0.000 0.000 0.220 471 S C 0.931 175.607 174.600 0.127 0.000 0.967 471 S CA 0.531 58.861 58.200 0.217 0.000 0.920 471 S CB 0.116 63.426 63.200 0.182 0.000 0.773 471 S HN 0.771 nan 8.310 nan 0.000 0.529 472 G N 0.557 109.411 108.800 0.091 0.000 2.346 472 G HA2 0.296 4.256 3.960 -0.000 0.000 0.294 472 G HA3 0.296 4.256 3.960 -0.000 0.000 0.294 472 G C -1.179 173.734 174.900 0.022 0.000 1.294 472 G CA -0.371 44.771 45.100 0.069 0.000 0.962 472 G HN 0.747 nan 8.290 nan 0.000 0.508 473 S N -1.248 114.461 115.700 0.014 0.000 2.537 473 S HA 0.984 5.454 4.470 -0.000 0.000 0.270 473 S C 0.312 174.901 174.600 -0.018 0.000 1.142 473 S CA 0.609 58.794 58.200 -0.025 0.000 0.870 473 S CB 1.521 64.702 63.200 -0.032 0.000 1.112 473 S HN 3.080 nan 8.310 nan 0.000 0.466 474 G N 1.799 110.574 108.800 -0.042 0.000 2.756 474 G HA2 0.135 4.095 3.960 -0.000 0.000 0.678 474 G HA3 0.135 4.095 3.960 -0.000 0.000 0.678 474 G C -1.410 173.481 174.900 -0.015 0.000 1.349 474 G CA -0.974 44.111 45.100 -0.027 0.000 0.847 474 G HN 0.837 nan 8.290 nan 0.000 0.548 475 R N 0.291 120.797 120.500 0.011 0.000 2.750 475 R HA 0.645 4.985 4.340 -0.000 0.000 0.281 475 R C -0.126 176.223 176.300 0.082 0.000 0.972 475 R CA -0.728 55.384 56.100 0.021 0.000 0.912 475 R CB 1.852 32.131 30.300 -0.035 0.000 1.187 475 R HN 0.761 nan 8.270 nan 0.000 0.464 476 E N 1.564 121.822 120.200 0.096 0.000 2.281 476 E HA 0.612 4.962 4.350 -0.000 0.000 0.262 476 E C -0.341 176.243 176.600 -0.026 0.000 0.933 476 E CA -0.869 55.573 56.400 0.070 0.000 0.809 476 E CB 1.725 31.486 29.700 0.103 0.000 1.242 476 E HN 0.323 nan 8.360 nan 0.000 0.418 477 L N -0.079 121.130 121.223 -0.024 0.000 0.586 477 L HA -0.260 4.080 4.340 -0.000 0.000 0.356 477 L C 0.645 177.590 176.870 0.125 0.000 0.969 477 L CA 0.712 55.527 54.840 -0.042 0.000 1.223 477 L CB -1.400 40.444 42.059 -0.358 0.000 0.020 477 L HN 0.995 nan 8.230 nan 0.000 0.091 478 G N 0.141 108.954 108.800 0.022 0.000 2.692 478 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.248 478 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.248 478 G C 0.458 175.561 174.900 0.339 0.000 1.340 478 G CA 0.940 46.182 45.100 0.236 0.000 0.896 478 G HN 1.158 nan 8.290 nan 0.000 0.570 479 E N -1.033 119.311 120.200 0.240 0.000 2.110 479 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 479 E C 2.184 178.589 176.600 -0.325 0.000 0.988 479 E CA 1.821 58.029 56.400 -0.319 0.000 0.804 479 E CB -0.165 29.384 29.700 -0.252 0.000 0.745 479 E HN 0.629 nan 8.360 nan 0.000 0.458 480 Y N -0.136 120.134 120.300 -0.050 0.000 2.256 480 Y HA -0.090 4.460 4.550 -0.000 0.000 0.288 480 Y C 2.430 178.301 175.900 -0.048 0.000 1.155 480 Y CA 1.090 59.166 58.100 -0.040 0.000 1.203 480 Y CB -0.649 37.810 38.460 -0.001 0.000 0.980 480 Y HN 0.159 nan 8.280 nan 0.000 0.530 481 G N -0.275 108.622 108.800 0.162 0.000 2.535 481 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.218 481 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.218 481 G C 1.441 176.359 174.900 0.031 0.000 1.122 481 G CA 0.678 45.861 45.100 0.140 0.000 0.769 481 G HN 0.406 nan 8.290 nan 0.000 0.549 482 L N -0.791 120.322 121.223 -0.184 0.000 2.375 482 L HA 0.068 4.408 4.340 -0.000 0.000 0.215 482 L C 2.911 179.650 176.870 -0.217 0.000 1.108 482 L CA 0.290 54.908 54.840 -0.369 0.000 0.830 482 L CB -0.277 41.142 42.059 -1.068 0.000 0.959 482 L HN 0.210 nan 8.230 nan 0.000 0.457 483 Q N 0.558 120.275 119.800 -0.140 0.000 2.061 483 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 483 Q C 2.336 178.307 176.000 -0.048 0.000 0.984 483 Q CA 1.894 57.679 55.803 -0.031 0.000 0.846 483 Q CB -0.284 28.462 28.738 0.014 0.000 0.902 483 Q HN 0.552 nan 8.270 nan 0.000 0.421 484 A N -0.542 122.222 122.820 -0.094 0.000 2.216 484 A HA -0.108 4.212 4.320 -0.000 0.000 0.214 484 A C 0.790 178.122 177.584 -0.420 0.000 1.160 484 A CA 0.755 52.641 52.037 -0.251 0.000 0.725 484 A CB -0.287 18.518 19.000 -0.325 0.000 0.784 484 A HN 0.415 nan 8.150 nan 0.000 0.472 485 Y N -0.544 119.716 120.300 -0.066 0.000 2.555 485 Y HA 0.201 4.751 4.550 -0.000 0.000 0.259 485 Y C 0.361 176.251 175.900 -0.016 0.000 1.179 485 Y CA 0.096 58.166 58.100 -0.051 0.000 1.230 485 Y CB 0.530 38.945 38.460 -0.075 0.000 1.146 485 Y HN 0.068 nan 8.280 nan 0.000 0.526 486 T N 0.318 114.909 114.554 0.062 0.000 2.841 486 T HA 0.346 4.696 4.350 -0.000 0.000 0.283 486 T C -0.962 173.737 174.700 -0.001 0.000 1.000 486 T CA -0.669 61.470 62.100 0.064 0.000 0.977 486 T CB 1.914 70.832 68.868 0.082 0.000 0.979 486 T HN -0.058 nan 8.240 nan 0.000 0.446 487 E N 2.109 122.324 120.200 0.025 0.000 2.158 487 E HA 0.524 4.873 4.350 -0.000 0.000 0.271 487 E C -1.097 175.506 176.600 0.003 0.000 0.911 487 E CA -0.593 55.811 56.400 0.006 0.000 0.767 487 E CB 1.042 30.764 29.700 0.037 0.000 1.120 487 E HN 0.317 nan 8.360 nan 0.000 0.405 488 V N 5.312 125.209 119.914 -0.028 0.000 2.432 488 V HA 0.316 4.436 4.120 -0.000 0.000 0.275 488 V C 0.057 176.157 176.094 0.009 0.000 1.043 488 V CA -0.534 61.760 62.300 -0.009 0.000 0.925 488 V CB 1.138 32.934 31.823 -0.045 0.000 0.985 488 V HN 0.578 nan 8.190 nan 0.000 0.466 489 K N 3.289 123.707 120.400 0.030 0.000 2.274 489 K HA 0.510 4.830 4.320 -0.000 0.000 0.262 489 K C -0.505 176.056 176.600 -0.065 0.000 0.961 489 K CA -0.377 55.901 56.287 -0.015 0.000 0.833 489 K CB 1.484 33.980 32.500 -0.006 0.000 1.102 489 K HN 0.686 nan 8.250 nan 0.000 0.436 490 T N 2.938 117.425 114.554 -0.112 0.000 2.806 490 T HA 0.286 4.636 4.350 -0.000 0.000 0.290 490 T C -0.650 173.867 174.700 -0.306 0.000 0.966 490 T CA -0.534 61.447 62.100 -0.198 0.000 1.060 490 T CB 1.148 69.921 68.868 -0.159 0.000 0.927 490 T HN 0.311 nan 8.240 nan 0.000 0.485 491 V N 3.734 123.309 119.914 -0.565 0.000 2.448 491 V HA 0.520 4.640 4.120 -0.000 0.000 0.295 491 V C 0.067 175.776 176.094 -0.640 0.000 1.025 491 V CA -0.725 61.175 62.300 -0.668 0.000 0.859 491 V CB 1.878 33.077 31.823 -1.039 0.000 0.988 491 V HN 0.959 nan 8.190 nan 0.000 0.431 492 T N 4.353 118.695 114.554 -0.352 0.000 2.864 492 T HA 0.543 4.893 4.350 -0.000 0.000 0.299 492 T C -0.525 174.140 174.700 -0.059 0.000 1.011 492 T CA -0.343 61.620 62.100 -0.228 0.000 0.975 492 T CB 1.449 70.172 68.868 -0.241 0.000 0.962 492 T HN 0.346 nan 8.240 nan 0.000 0.448 493 V N 3.825 123.785 119.914 0.076 0.000 2.459 493 V HA 0.455 4.575 4.120 -0.000 0.000 0.295 493 V C 0.402 176.701 176.094 0.342 0.000 1.029 493 V CA -1.159 61.258 62.300 0.195 0.000 0.874 493 V CB 1.782 33.747 31.823 0.236 0.000 0.985 493 V HN 0.726 nan 8.190 nan 0.000 0.438 494 K N 3.735 124.318 120.400 0.306 0.000 2.412 494 K HA 0.423 4.743 4.320 -0.000 0.000 0.281 494 K C -0.451 176.184 176.600 0.059 0.000 1.027 494 K CA -0.162 56.228 56.287 0.171 0.000 0.989 494 K CB 0.835 33.407 32.500 0.120 0.000 0.935 494 K HN 0.683 nan 8.250 nan 0.000 0.475 495 V N 2.004 121.887 119.914 -0.052 0.000 2.960 495 V HA 0.422 4.542 4.120 -0.000 0.000 0.315 495 V C -2.180 173.862 176.094 -0.086 0.000 1.087 495 V CA -1.934 60.351 62.300 -0.024 0.000 0.982 495 V CB 1.400 33.234 31.823 0.019 0.000 1.039 495 V HN 0.666 nan 8.190 nan 0.000 0.437 496 P HA -0.058 nan 4.420 nan 0.000 0.215 496 P C 0.078 177.333 177.300 -0.074 0.000 1.157 496 P CA 1.305 64.369 63.100 -0.059 0.000 0.868 496 P CB 0.151 31.828 31.700 -0.038 0.000 0.788 497 Q N -1.059 118.701 119.800 -0.068 0.000 2.331 497 Q HA 0.155 4.495 4.340 -0.000 0.000 0.249 497 Q C -1.104 174.864 176.000 -0.054 0.000 0.913 497 Q CA -0.754 55.009 55.803 -0.066 0.000 0.874 497 Q CB 1.097 29.806 28.738 -0.048 0.000 1.384 497 Q HN -0.244 nan 8.270 nan 0.000 0.427 498 K N 3.888 124.254 120.400 -0.056 0.000 2.339 498 K HA 0.264 4.584 4.320 -0.000 0.000 0.286 498 K C -1.166 175.425 176.600 -0.015 0.000 1.050 498 K CA 0.266 56.539 56.287 -0.023 0.000 0.956 498 K CB 0.508 33.006 32.500 -0.003 0.000 0.990 498 K HN 0.699 nan 8.250 nan 0.000 0.475 499 N N 1.553 120.245 118.700 -0.013 0.000 2.240 499 N HA 0.116 4.856 4.740 -0.000 0.000 0.302 499 N C -0.441 175.066 175.510 -0.005 0.000 1.106 499 N CA -0.441 52.602 53.050 -0.012 0.000 0.778 499 N CB 1.824 40.298 38.487 -0.021 0.000 1.431 499 N HN 0.689 nan 8.380 nan 0.000 0.479 500 S N 0.000 115.700 115.700 -0.000 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 0.002 0.000 1.107 500 S CB 0.000 63.203 63.200 0.005 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517