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 3hi7_1_B DATA FIRST_RESID 28 DATA SEQUENCE RKAGVFSDLS NQELKAVHSF LWSKKELRLQ PSSTTTMAKN TVFLIEMLLP DATA SEQUENCE KKYHVLRFLD KGERHPVREA RAVIFFGDQE HPNVTEFAVG PLPGPCYMRA DATA SEQUENCE LSPRPGYQSS WASRPISTAE YALLYHTLQE ATKPLHQFFL NTTGFSFQDc DATA SEQUENCE HDRcLAFTDV APRGVASGQR RSWLIIQRYV EGYFLHPTGL ELLVDHGSTD DATA SEQUENCE AGHWAVEQVW YNGKFYGSPE ELARKYADGE VDVVVLXXXX XXXXXXXXXX DATA SEQUENCE EPPLFSSHKP RGDFPSPIHV SGPRLVQPHG PRFRLEGNAV LYGGWSFAFR DATA SEQUENCE LRSSSGLQVL NVHFGGERIA YEVSVQEAVA LYGGHTPAGM QTKYLDVGWG DATA SEQUENCE LGSVTHELAP GIDcPETATF LDTFHYYDAD DPVHYPRALc LFEMPTGVPL DATA SEQUENCE RRHFNSNFKG GFNFYAGLKG QVLVLRTTST VYNXDYIWDF IFYPNGVMEA DATA SEQUENCE KMHATGYVHA TFYTPEGLRH GTRLHTHLIG NIHTHLVHYR VDLDVAGTKN DATA SEQUENCE SFQTLQMKLE NITNPWSPRH RVVQPTLEQT QYSWERQAAF RFKRKLPKYL DATA SEQUENCE LFTSPQENPW GHKRSYRLQI HSMADQVLPP GWQEEQAITW ARYPLAVTKY DATA SEQUENCE RESELCSSSI YHQNDPWDPP VVFEQFLHNN ENIENEDLVA WVTVGFLHIP DATA SEQUENCE HSEDIPNTAT PGNSVGFLLR PFNFFPEDPS LASRDTVIVW PRDNGPNYVQ DATA SEQUENCE RWIPEDRDCS MPPPFSYNGT YRPV 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 28 R HA 0.000 nan 4.340 nan 0.000 0.208 28 R C 0.000 176.363 176.300 0.105 0.000 0.893 28 R CA 0.000 56.129 56.100 0.048 0.000 0.921 28 R CB 0.000 30.321 30.300 0.034 0.000 0.687 29 K N 0.894 121.339 120.400 0.076 0.000 2.217 29 K HA -0.006 4.363 4.320 0.082 0.000 0.202 29 K C 2.234 178.934 176.600 0.166 0.000 1.051 29 K CA 1.318 57.680 56.287 0.124 0.000 0.952 29 K CB 0.284 32.684 32.500 -0.167 0.000 0.736 29 K HN 0.745 nan 8.250 nan 0.000 0.453 30 A N 1.450 124.350 122.820 0.134 0.000 2.076 30 A HA -0.126 4.243 4.320 0.082 0.000 0.220 30 A C 2.308 179.984 177.584 0.154 0.000 1.160 30 A CA 1.778 53.941 52.037 0.211 0.000 0.653 30 A CB -1.049 18.014 19.000 0.106 0.000 0.801 30 A HN 0.425 nan 8.150 nan 0.000 0.455 31 G N -0.724 108.139 108.800 0.105 0.000 2.485 31 G HA2 -0.166 3.843 3.960 0.082 0.000 0.221 31 G HA3 -0.166 3.843 3.960 0.082 0.000 0.221 31 G C 1.509 176.447 174.900 0.064 0.000 1.115 31 G CA 1.056 46.209 45.100 0.088 0.000 0.751 31 G HN 0.524 nan 8.290 nan 0.000 0.567 32 V N -0.149 119.732 119.914 -0.055 0.000 2.568 32 V HA -0.073 4.096 4.120 0.082 0.000 0.253 32 V C 2.113 178.020 176.094 -0.310 0.000 1.072 32 V CA 1.558 63.673 62.300 -0.308 0.000 1.084 32 V CB -0.413 31.006 31.823 -0.673 0.000 0.676 32 V HN 0.352 nan 8.190 nan 0.000 0.469 33 F N 0.803 120.767 119.950 0.023 0.000 2.765 33 F HA 0.278 4.854 4.527 0.081 0.000 0.302 33 F C 1.514 177.304 175.800 -0.017 0.000 1.111 33 F CA 0.266 58.264 58.000 -0.003 0.000 1.359 33 F CB -0.623 38.352 39.000 -0.042 0.000 1.097 33 F HN 0.207 nan 8.300 nan 0.000 0.577 34 S N -0.118 115.646 115.700 0.106 0.000 2.580 34 S HA 0.150 4.669 4.470 0.082 0.000 0.274 34 S C -0.033 174.603 174.600 0.060 0.000 1.329 34 S CA -1.096 57.128 58.200 0.041 0.000 1.036 34 S CB 0.884 64.086 63.200 0.003 0.000 0.919 34 S HN 0.051 nan 8.310 nan 0.000 0.515 35 D N 1.280 121.716 120.400 0.059 0.000 2.362 35 D HA 0.157 4.846 4.640 0.082 0.000 0.238 35 D C 0.432 176.771 176.300 0.066 0.000 1.212 35 D CA -0.036 54.012 54.000 0.081 0.000 0.902 35 D CB 0.377 41.235 40.800 0.097 0.000 1.180 35 D HN 0.513 nan 8.370 nan 0.000 0.445 36 L N 1.041 122.308 121.223 0.073 0.000 2.453 36 L HA 0.041 4.430 4.340 0.082 0.000 0.272 36 L C 1.350 178.244 176.870 0.040 0.000 1.182 36 L CA -0.283 54.584 54.840 0.045 0.000 0.858 36 L CB 0.396 42.482 42.059 0.045 0.000 1.120 36 L HN 0.393 nan 8.230 nan 0.000 0.474 37 S N 1.332 117.028 115.700 -0.008 0.000 2.617 37 S HA 0.027 4.546 4.470 0.082 0.000 0.259 37 S C 0.912 175.389 174.600 -0.206 0.000 1.301 37 S CA -0.425 57.737 58.200 -0.063 0.000 0.984 37 S CB 0.892 64.048 63.200 -0.073 0.000 0.954 37 S HN 0.688 nan 8.310 nan 0.000 0.572 38 N N 1.218 119.591 118.700 -0.546 0.000 2.061 38 N HA -0.181 4.608 4.740 0.082 0.000 0.193 38 N C 2.480 177.779 175.510 -0.351 0.000 1.030 38 N CA 2.516 55.084 53.050 -0.803 0.000 0.856 38 N CB -1.264 36.383 38.487 -1.399 0.000 1.023 38 N HN 0.843 nan 8.380 nan 0.000 0.424 39 Q N 0.668 120.315 119.800 -0.255 0.000 2.061 39 Q HA -0.148 4.241 4.340 0.082 0.000 0.204 39 Q C 2.135 178.071 176.000 -0.106 0.000 0.984 39 Q CA 2.011 57.727 55.803 -0.146 0.000 0.846 39 Q CB -1.083 27.588 28.738 -0.111 0.000 0.902 39 Q HN 0.731 nan 8.270 nan 0.000 0.421 40 E N 0.115 120.256 120.200 -0.099 0.000 2.077 40 E HA -0.088 4.311 4.350 0.082 0.000 0.193 40 E C 2.195 178.758 176.600 -0.061 0.000 0.989 40 E CA 1.147 57.504 56.400 -0.071 0.000 0.800 40 E CB -0.184 29.483 29.700 -0.055 0.000 0.746 40 E HN 0.609 nan 8.360 nan 0.000 0.452 41 L N 0.944 122.127 121.223 -0.068 0.000 2.017 41 L HA -0.217 4.172 4.340 0.082 0.000 0.208 41 L C 2.387 179.214 176.870 -0.072 0.000 1.073 41 L CA 1.331 56.132 54.840 -0.065 0.000 0.745 41 L CB -0.311 41.733 42.059 -0.024 0.000 0.894 41 L HN 0.029 nan 8.230 nan 0.000 0.432 42 K N -0.069 120.295 120.400 -0.060 0.000 2.103 42 K HA -0.176 4.193 4.320 0.082 0.000 0.207 42 K C 2.211 178.820 176.600 0.015 0.000 1.048 42 K CA 1.428 57.705 56.287 -0.016 0.000 0.930 42 K CB -0.287 32.190 32.500 -0.038 0.000 0.716 42 K HN 0.316 nan 8.250 nan 0.000 0.444 43 A N 0.901 123.714 122.820 -0.011 0.000 1.898 43 A HA -0.097 4.272 4.320 0.082 0.000 0.216 43 A C 2.360 179.971 177.584 0.045 0.000 1.181 43 A CA 1.236 53.276 52.037 0.004 0.000 0.620 43 A CB -0.528 18.450 19.000 -0.036 0.000 0.819 43 A HN 0.064 nan 8.150 nan 0.000 0.442 44 V N -0.434 119.496 119.914 0.026 0.000 2.343 44 V HA -0.278 3.891 4.120 0.082 0.000 0.247 44 V C 2.441 178.628 176.094 0.156 0.000 1.051 44 V CA 2.152 64.494 62.300 0.070 0.000 1.036 44 V CB -1.041 30.790 31.823 0.014 0.000 0.654 44 V HN 0.766 nan 8.190 nan 0.000 0.451 45 H N -0.453 118.594 119.070 -0.037 0.000 2.321 45 H HA -0.178 4.424 4.556 0.077 0.000 0.300 45 H C 2.672 178.071 175.328 0.119 0.000 1.087 45 H CA 1.778 57.815 56.048 -0.018 0.000 1.319 45 H CB 0.150 29.811 29.762 -0.168 0.000 1.379 45 H HN 0.445 nan 8.280 nan 0.000 0.501 46 S N -0.087 115.658 115.700 0.075 0.000 2.370 46 S HA -0.203 4.316 4.470 0.082 0.000 0.226 46 S C 2.047 176.711 174.600 0.107 0.000 1.033 46 S CA 1.439 59.667 58.200 0.046 0.000 1.011 46 S CB -0.679 62.550 63.200 0.048 0.000 0.852 46 S HN 0.472 nan 8.310 nan 0.000 0.457 47 F N 2.006 121.954 119.950 -0.003 0.000 2.095 47 F HA -0.036 4.543 4.527 0.087 0.000 0.298 47 F C 1.820 177.613 175.800 -0.012 0.000 1.104 47 F CA 1.640 59.630 58.000 -0.016 0.000 1.232 47 F CB -0.509 38.463 39.000 -0.046 0.000 0.987 47 F HN 0.204 nan 8.300 nan 0.000 0.475 48 L N -1.505 119.667 121.223 -0.085 0.000 2.046 48 L HA -0.219 4.170 4.340 0.082 0.000 0.208 48 L C 2.256 178.995 176.870 -0.219 0.000 1.077 48 L CA 1.404 56.112 54.840 -0.221 0.000 0.747 48 L CB -0.997 41.038 42.059 -0.040 0.000 0.896 48 L HN 0.228 nan 8.230 nan 0.000 0.432 49 W N 0.269 121.403 121.300 -0.277 0.000 2.421 49 W HA -0.162 4.520 4.660 0.037 0.000 0.270 49 W C 2.953 179.357 176.519 -0.192 0.000 1.233 49 W CA 1.436 58.637 57.345 -0.240 0.000 1.226 49 W CB -0.444 28.844 29.460 -0.286 0.000 1.121 49 W HN 0.243 nan 8.180 nan 0.000 0.579 50 S N -0.126 115.548 115.700 -0.042 0.000 2.515 50 S HA -0.039 4.481 4.470 0.082 0.000 0.231 50 S C 0.782 175.285 174.600 -0.162 0.000 0.987 50 S CA 0.410 58.558 58.200 -0.087 0.000 0.936 50 S CB -0.330 62.813 63.200 -0.095 0.000 0.766 50 S HN 0.132 nan 8.310 nan 0.000 0.528 51 K N 1.667 121.917 120.400 -0.250 0.000 2.206 51 K HA 0.349 4.718 4.320 0.082 0.000 0.268 51 K C 1.233 177.723 176.600 -0.182 0.000 1.111 51 K CA 0.161 56.306 56.287 -0.237 0.000 0.955 51 K CB 0.976 33.287 32.500 -0.315 0.000 1.406 51 K HN 0.341 nan 8.250 nan 0.000 0.427 52 K N 2.907 123.231 120.400 -0.127 0.000 2.209 52 K HA -0.170 4.199 4.320 0.082 0.000 0.204 52 K C 1.612 178.151 176.600 -0.102 0.000 1.048 52 K CA 1.759 57.982 56.287 -0.107 0.000 0.940 52 K CB -0.487 31.974 32.500 -0.066 0.000 0.729 52 K HN 0.721 nan 8.250 nan 0.000 0.451 53 E N 0.969 121.116 120.200 -0.088 0.000 2.338 53 E HA -0.115 4.284 4.350 0.082 0.000 0.197 53 E C 1.784 178.356 176.600 -0.048 0.000 1.007 53 E CA 0.959 57.321 56.400 -0.063 0.000 0.849 53 E CB -0.413 29.254 29.700 -0.054 0.000 0.774 53 E HN 0.618 nan 8.360 nan 0.000 0.506 54 L N 0.147 121.327 121.223 -0.071 0.000 2.291 54 L HA 0.089 4.479 4.340 0.082 0.000 0.214 54 L C 0.851 177.695 176.870 -0.043 0.000 1.120 54 L CA 0.413 55.249 54.840 -0.006 0.000 0.799 54 L CB -0.481 41.520 42.059 -0.096 0.000 0.925 54 L HN 0.012 nan 8.230 nan 0.000 0.446 55 R N 0.279 120.701 120.500 -0.128 0.000 3.416 55 R HA -0.161 4.228 4.340 0.082 0.000 0.263 55 R C -0.332 175.828 176.300 -0.233 0.000 1.053 55 R CA 0.120 56.134 56.100 -0.143 0.000 0.705 55 R CB -2.155 28.113 30.300 -0.053 0.000 1.124 55 R HN 0.291 nan 8.270 nan 0.000 0.444 56 L N 1.007 121.943 121.223 -0.477 0.000 2.456 56 L HA 0.070 4.459 4.340 0.082 0.000 0.272 56 L C 0.938 177.406 176.870 -0.669 0.000 1.189 56 L CA 0.721 55.151 54.840 -0.684 0.000 0.846 56 L CB 0.590 41.887 42.059 -1.269 0.000 1.111 56 L HN 0.260 nan 8.230 nan 0.000 0.475 57 Q N 3.019 122.686 119.800 -0.223 0.000 2.484 57 Q HA 0.469 4.858 4.340 0.082 0.000 0.285 57 Q C -2.508 173.727 176.000 0.392 0.000 1.097 57 Q CA -2.071 53.803 55.803 0.117 0.000 0.802 57 Q CB 2.238 31.041 28.738 0.109 0.000 1.444 57 Q HN 0.337 nan 8.270 nan 0.000 0.429 58 P HA -0.058 nan 4.420 nan 0.000 0.271 58 P C 0.464 177.922 177.300 0.264 0.000 1.218 58 P CA 0.097 63.439 63.100 0.404 0.000 0.780 58 P CB 0.740 32.605 31.700 0.275 0.000 0.901 59 S N 1.334 117.166 115.700 0.221 0.000 2.392 59 S HA -0.229 4.290 4.470 0.082 0.000 0.232 59 S C 1.756 176.444 174.600 0.147 0.000 1.041 59 S CA 2.014 60.303 58.200 0.148 0.000 1.026 59 S CB -1.661 61.564 63.200 0.042 0.000 0.845 59 S HN 0.544 nan 8.310 nan 0.000 0.465 60 S N 0.632 116.412 115.700 0.133 0.000 2.481 60 S HA 0.043 4.562 4.470 0.082 0.000 0.231 60 S C 0.781 175.453 174.600 0.120 0.000 0.996 60 S CA 0.467 58.739 58.200 0.119 0.000 0.942 60 S CB -1.189 62.067 63.200 0.094 0.000 0.768 60 S HN 0.517 nan 8.310 nan 0.000 0.520 61 T N 3.958 118.592 114.554 0.133 0.000 2.867 61 T HA 0.232 4.631 4.350 0.082 0.000 0.297 61 T C 0.565 175.330 174.700 0.109 0.000 0.989 61 T CA 0.471 62.639 62.100 0.114 0.000 1.159 61 T CB 0.767 69.710 68.868 0.125 0.000 0.928 61 T HN 0.520 nan 8.240 nan 0.000 0.538 62 T N 0.629 115.229 114.554 0.077 0.000 3.783 62 T HA 0.410 4.809 4.350 0.082 0.000 0.262 62 T C 0.211 174.932 174.700 0.034 0.000 1.381 62 T CA -0.766 61.374 62.100 0.066 0.000 1.155 62 T CB -0.311 68.581 68.868 0.039 0.000 1.256 62 T HN 0.565 nan 8.240 nan 0.000 0.807 63 T N 1.180 115.774 114.554 0.068 0.000 2.900 63 T HA 0.464 4.863 4.350 0.082 0.000 0.303 63 T C 0.779 175.561 174.700 0.136 0.000 1.142 63 T CA -0.899 61.231 62.100 0.050 0.000 1.007 63 T CB 1.278 70.162 68.868 0.026 0.000 1.156 63 T HN 0.143 nan 8.240 nan 0.000 0.490 64 M N 2.037 121.737 119.600 0.165 0.000 2.514 64 M HA 0.275 4.804 4.480 0.082 0.000 0.258 64 M C 1.492 177.970 176.300 0.297 0.000 1.119 64 M CA 0.390 55.875 55.300 0.307 0.000 1.111 64 M CB -0.897 31.954 32.600 0.418 0.000 1.390 64 M HN 0.697 nan 8.290 nan 0.000 0.475 65 A N 2.887 125.797 122.820 0.150 0.000 3.135 65 A HA 0.246 4.615 4.320 0.082 0.000 0.253 65 A C 0.364 177.995 177.584 0.079 0.000 1.638 65 A CA -0.240 51.842 52.037 0.075 0.000 1.295 65 A CB -0.900 18.104 19.000 0.006 0.000 1.106 65 A HN 0.491 nan 8.150 nan 0.000 0.648 66 K N -0.643 119.843 120.400 0.144 0.000 2.512 66 K HA 0.525 4.895 4.320 0.082 0.000 0.263 66 K C -1.515 175.191 176.600 0.176 0.000 0.966 66 K CA -1.057 55.310 56.287 0.132 0.000 0.851 66 K CB 1.071 33.656 32.500 0.141 0.000 1.395 66 K HN 0.047 nan 8.250 nan 0.000 0.440 67 N N 1.430 120.198 118.700 0.114 0.000 2.426 67 N HA 0.363 5.152 4.740 0.082 0.000 0.275 67 N C -1.170 174.358 175.510 0.031 0.000 1.019 67 N CA -0.231 52.867 53.050 0.080 0.000 0.941 67 N CB 1.730 40.258 38.487 0.067 0.000 1.123 67 N HN 0.770 nan 8.380 nan 0.000 0.486 68 T N -2.612 111.975 114.554 0.055 0.000 2.923 68 T HA 0.398 4.797 4.350 0.082 0.000 0.311 68 T C -0.648 174.087 174.700 0.058 0.000 1.183 68 T CA -0.830 61.326 62.100 0.093 0.000 1.020 68 T CB 0.744 69.713 68.868 0.169 0.000 1.165 68 T HN 0.010 nan 8.240 nan 0.000 0.482 69 V N 4.075 124.092 119.914 0.172 0.000 2.389 69 V HA 0.272 4.441 4.120 0.082 0.000 0.264 69 V C 0.725 176.955 176.094 0.226 0.000 1.049 69 V CA -0.357 62.077 62.300 0.222 0.000 0.932 69 V CB -0.164 31.875 31.823 0.359 0.000 1.011 69 V HN 0.919 nan 8.190 nan 0.000 0.475 70 F N 5.900 125.738 119.950 -0.187 0.000 2.270 70 F HA 0.351 4.922 4.527 0.073 0.000 0.295 70 F C 0.379 176.032 175.800 -0.246 0.000 1.087 70 F CA 0.663 58.374 58.000 -0.481 0.000 1.365 70 F CB 0.535 38.838 39.000 -1.162 0.000 1.056 70 F HN 0.387 nan 8.300 nan 0.000 0.506 71 L N 0.813 122.061 121.223 0.040 0.000 2.482 71 L HA 0.563 4.952 4.340 0.082 0.000 0.263 71 L C -1.700 175.335 176.870 0.275 0.000 0.957 71 L CA -0.789 54.117 54.840 0.109 0.000 0.836 71 L CB 1.904 44.029 42.059 0.110 0.000 1.324 71 L HN -0.033 nan 8.230 nan 0.000 0.406 72 I N 4.271 125.033 120.570 0.321 0.000 2.499 72 I HA 0.612 4.831 4.170 0.082 0.000 0.288 72 I C -0.807 175.428 176.117 0.197 0.000 1.048 72 I CA -0.311 61.097 61.300 0.179 0.000 1.062 72 I CB 2.020 40.009 38.000 -0.018 0.000 1.238 72 I HN 0.811 nan 8.210 nan 0.000 0.426 73 E N 6.256 126.559 120.200 0.173 0.000 2.445 73 E HA 0.421 4.820 4.350 0.082 0.000 0.279 73 E C -1.195 175.488 176.600 0.138 0.000 1.018 73 E CA -1.071 55.428 56.400 0.165 0.000 0.816 73 E CB 2.066 31.875 29.700 0.181 0.000 1.356 73 E HN 0.356 nan 8.360 nan 0.000 0.462 74 M N 2.199 121.874 119.600 0.126 0.000 2.239 74 M HA 0.184 4.713 4.480 0.082 0.000 0.348 74 M C -1.253 175.125 176.300 0.130 0.000 1.239 74 M CA -0.365 55.001 55.300 0.111 0.000 1.114 74 M CB 0.491 33.151 32.600 0.100 0.000 1.641 74 M HN 0.681 nan 8.290 nan 0.000 0.453 75 L N 6.940 128.239 121.223 0.128 0.000 2.276 75 L HA 0.373 4.763 4.340 0.082 0.000 0.286 75 L C -1.026 175.930 176.870 0.144 0.000 1.024 75 L CA -0.505 54.423 54.840 0.146 0.000 0.826 75 L CB 0.912 43.064 42.059 0.156 0.000 1.211 75 L HN 0.738 nan 8.230 nan 0.000 0.422 76 L N 8.158 129.478 121.223 0.161 0.000 2.490 76 L HA 0.344 4.733 4.340 0.082 0.000 0.274 76 L C -1.852 175.121 176.870 0.172 0.000 1.201 76 L CA -0.524 54.419 54.840 0.173 0.000 0.869 76 L CB -0.199 41.996 42.059 0.227 0.000 1.123 76 L HN 0.562 nan 8.230 nan 0.000 0.484 77 P HA 0.122 nan 4.420 nan 0.000 0.273 77 P C -1.131 176.299 177.300 0.216 0.000 1.250 77 P CA -0.452 62.745 63.100 0.162 0.000 0.793 77 P CB 0.303 32.064 31.700 0.101 0.000 1.011 78 K N 0.819 121.366 120.400 0.245 0.000 2.448 78 K HA -0.024 4.345 4.320 0.082 0.000 0.278 78 K C 1.335 178.041 176.600 0.178 0.000 1.009 78 K CA 0.042 56.462 56.287 0.222 0.000 0.995 78 K CB 0.368 32.981 32.500 0.188 0.000 0.917 78 K HN 0.386 nan 8.250 nan 0.000 0.481 79 K N 2.349 122.831 120.400 0.136 0.000 2.103 79 K HA -0.258 4.111 4.320 0.082 0.000 0.207 79 K C 1.828 178.365 176.600 -0.105 0.000 1.048 79 K CA 1.512 57.758 56.287 -0.068 0.000 0.930 79 K CB -0.141 32.103 32.500 -0.426 0.000 0.716 79 K HN 0.614 nan 8.250 nan 0.000 0.444 80 Y N 1.216 121.397 120.300 -0.200 0.000 2.114 80 Y HA -0.342 4.257 4.550 0.081 0.000 0.282 80 Y C 2.177 177.983 175.900 -0.157 0.000 1.165 80 Y CA 2.197 60.156 58.100 -0.236 0.000 1.148 80 Y CB -0.340 37.919 38.460 -0.334 0.000 0.972 80 Y HN 0.265 nan 8.280 nan 0.000 0.504 81 H N -1.374 117.685 119.070 -0.018 0.000 2.395 81 H HA -0.066 4.539 4.556 0.082 0.000 0.299 81 H C 2.570 177.868 175.328 -0.050 0.000 1.070 81 H CA 1.563 57.564 56.048 -0.079 0.000 1.356 81 H CB -0.720 29.068 29.762 0.044 0.000 1.401 81 H HN 0.337 nan 8.280 nan 0.000 0.524 82 V N 1.444 121.430 119.914 0.120 0.000 2.295 82 V HA -0.227 3.942 4.120 0.082 0.000 0.246 82 V C 2.791 178.978 176.094 0.155 0.000 1.049 82 V CA 1.407 63.791 62.300 0.141 0.000 1.024 82 V CB -0.660 31.296 31.823 0.222 0.000 0.648 82 V HN 0.246 nan 8.190 nan 0.000 0.447 83 L N -0.758 120.493 121.223 0.047 0.000 2.141 83 L HA -0.140 4.249 4.340 0.082 0.000 0.209 83 L C 2.753 179.598 176.870 -0.042 0.000 1.094 83 L CA 1.413 56.259 54.840 0.009 0.000 0.763 83 L CB -0.541 41.467 42.059 -0.085 0.000 0.908 83 L HN 0.234 nan 8.230 nan 0.000 0.437 84 R N -0.707 119.724 120.500 -0.115 0.000 2.096 84 R HA -0.196 4.193 4.340 0.082 0.000 0.235 84 R C 2.217 178.529 176.300 0.020 0.000 1.127 84 R CA 1.620 57.658 56.100 -0.102 0.000 0.968 84 R CB -0.382 29.794 30.300 -0.205 0.000 0.861 84 R HN 0.227 nan 8.270 nan 0.000 0.440 85 F N 1.025 120.923 119.950 -0.087 0.000 2.163 85 F HA -0.063 4.513 4.527 0.083 0.000 0.297 85 F C 1.629 177.394 175.800 -0.059 0.000 1.094 85 F CA 1.320 59.271 58.000 -0.081 0.000 1.290 85 F CB -0.157 38.760 39.000 -0.139 0.000 1.017 85 F HN -0.122 nan 8.300 nan 0.000 0.483 86 L N -0.274 120.806 121.223 -0.239 0.000 2.095 86 L HA -0.103 4.287 4.340 0.082 0.000 0.204 86 L C 1.620 178.386 176.870 -0.174 0.000 1.080 86 L CA 1.380 56.040 54.840 -0.301 0.000 0.759 86 L CB -0.547 41.498 42.059 -0.024 0.000 0.914 86 L HN 0.057 nan 8.230 nan 0.000 0.439 87 D N -0.856 119.496 120.400 -0.080 0.000 2.423 87 D HA 0.013 4.702 4.640 0.082 0.000 0.212 87 D C 1.310 177.581 176.300 -0.048 0.000 1.060 87 D CA 0.667 54.643 54.000 -0.040 0.000 0.872 87 D CB 0.427 41.224 40.800 -0.005 0.000 1.012 87 D HN 0.143 nan 8.370 nan 0.000 0.503 88 K N -0.239 120.128 120.400 -0.054 0.000 2.469 88 K HA 0.319 4.688 4.320 0.082 0.000 0.204 88 K C 0.624 177.207 176.600 -0.028 0.000 1.047 88 K CA 0.078 56.343 56.287 -0.037 0.000 1.072 88 K CB 1.701 34.180 32.500 -0.036 0.000 0.863 88 K HN 0.018 nan 8.250 nan 0.000 0.530 89 G N 2.110 110.880 108.800 -0.050 0.000 2.225 89 G HA2 -0.294 3.715 3.960 0.082 0.000 0.267 89 G HA3 -0.294 3.715 3.960 0.082 0.000 0.267 89 G C -0.189 174.729 174.900 0.030 0.000 1.024 89 G CA 0.474 45.555 45.100 -0.033 0.000 0.784 89 G HN 0.381 nan 8.290 nan 0.000 0.507 90 E N -0.376 119.863 120.200 0.066 0.000 2.330 90 E HA 0.679 5.078 4.350 0.082 0.000 0.256 90 E C 1.073 177.798 176.600 0.208 0.000 1.146 90 E CA -0.384 56.079 56.400 0.104 0.000 0.945 90 E CB 0.486 30.227 29.700 0.069 0.000 1.182 90 E HN 0.571 nan 8.360 nan 0.000 0.480 91 R N 1.146 121.728 120.500 0.138 0.000 2.643 91 R HA -0.018 4.371 4.340 0.082 0.000 0.270 91 R C 0.251 176.579 176.300 0.046 0.000 1.061 91 R CA -0.086 56.086 56.100 0.119 0.000 1.107 91 R CB -0.500 29.823 30.300 0.037 0.000 0.999 91 R HN 0.559 nan 8.270 nan 0.000 0.460 92 H N 3.046 121.961 119.070 -0.258 0.000 3.094 92 H HA 0.043 4.648 4.556 0.082 0.000 0.320 92 H C -1.945 173.092 175.328 -0.485 0.000 1.000 92 H CA -1.009 54.508 56.048 -0.885 0.000 1.413 92 H CB 0.727 30.097 29.762 -0.654 0.000 1.405 92 H HN 0.491 nan 8.280 nan 0.000 0.586 93 P HA -0.034 nan 4.420 nan 0.000 0.270 93 P C -0.368 176.929 177.300 -0.005 0.000 1.223 93 P CA -0.443 62.566 63.100 -0.152 0.000 0.785 93 P CB 0.544 32.162 31.700 -0.137 0.000 0.923 94 V N 2.251 122.149 119.914 -0.026 0.000 2.599 94 V HA 0.000 4.169 4.120 0.082 0.000 0.300 94 V C 1.118 177.232 176.094 0.033 0.000 1.034 94 V CA 0.323 62.627 62.300 0.007 0.000 1.115 94 V CB -0.378 31.466 31.823 0.034 0.000 0.934 94 V HN 0.458 nan 8.190 nan 0.000 0.485 95 R N 4.072 124.578 120.500 0.011 0.000 2.297 95 R HA 0.507 4.896 4.340 0.082 0.000 0.308 95 R C -0.340 175.967 176.300 0.012 0.000 1.029 95 R CA -0.300 55.809 56.100 0.015 0.000 0.929 95 R CB 0.843 31.127 30.300 -0.026 0.000 1.046 95 R HN 0.863 nan 8.270 nan 0.000 0.461 96 E N 1.608 121.833 120.200 0.042 0.000 2.429 96 E HA 0.521 4.920 4.350 0.082 0.000 0.276 96 E C -1.500 175.134 176.600 0.057 0.000 0.953 96 E CA -1.179 55.249 56.400 0.047 0.000 0.787 96 E CB 2.150 31.926 29.700 0.126 0.000 1.307 96 E HN 0.653 nan 8.360 nan 0.000 0.458 97 A N 1.440 124.290 122.820 0.050 0.000 2.340 97 A HA 0.538 4.907 4.320 0.082 0.000 0.331 97 A C -0.513 177.155 177.584 0.141 0.000 1.140 97 A CA -0.599 51.489 52.037 0.085 0.000 0.801 97 A CB 1.073 20.106 19.000 0.054 0.000 1.234 97 A HN 0.545 nan 8.150 nan 0.000 0.469 98 R N 1.654 122.253 120.500 0.165 0.000 2.265 98 R HA 0.559 4.948 4.340 0.082 0.000 0.314 98 R C -0.651 175.782 176.300 0.221 0.000 1.053 98 R CA 0.055 56.279 56.100 0.208 0.000 0.931 98 R CB 0.715 31.138 30.300 0.204 0.000 1.024 98 R HN 0.807 nan 8.270 nan 0.000 0.457 99 A N 4.841 127.828 122.820 0.278 0.000 2.319 99 A HA 0.437 4.806 4.320 0.082 0.000 0.310 99 A C -0.962 176.843 177.584 0.370 0.000 1.152 99 A CA -0.688 51.524 52.037 0.291 0.000 0.783 99 A CB 1.698 20.858 19.000 0.267 0.000 1.184 99 A HN 0.505 nan 8.150 nan 0.000 0.474 100 V N 4.437 124.546 119.914 0.326 0.000 2.370 100 V HA 0.370 4.539 4.120 0.082 0.000 0.279 100 V C -0.174 176.106 176.094 0.310 0.000 1.029 100 V CA -0.066 62.449 62.300 0.359 0.000 0.870 100 V CB 0.888 32.936 31.823 0.374 0.000 0.984 100 V HN 0.725 nan 8.190 nan 0.000 0.451 101 I N 5.028 125.796 120.570 0.330 0.000 2.378 101 I HA 0.420 4.639 4.170 0.082 0.000 0.291 101 I C -0.803 175.435 176.117 0.202 0.000 0.992 101 I CA -0.490 60.873 61.300 0.105 0.000 1.154 101 I CB 1.697 39.601 38.000 -0.161 0.000 1.315 101 I HN 0.362 nan 8.210 nan 0.000 0.448 102 F N 5.913 125.855 119.950 -0.014 0.000 2.413 102 F HA 0.285 4.856 4.527 0.074 0.000 0.359 102 F C 0.074 175.922 175.800 0.080 0.000 1.122 102 F CA -0.860 57.248 58.000 0.179 0.000 1.160 102 F CB -0.006 39.113 39.000 0.198 0.000 1.146 102 F HN 0.243 nan 8.300 nan 0.000 0.514 103 F N 2.101 122.344 119.950 0.490 0.000 2.425 103 F HA 0.307 4.882 4.527 0.080 0.000 0.354 103 F C 1.376 177.110 175.800 -0.110 0.000 1.162 103 F CA -0.250 57.864 58.000 0.190 0.000 1.250 103 F CB 0.615 39.690 39.000 0.126 0.000 1.579 103 F HN 0.626 nan 8.300 nan 0.000 0.589 104 G N 0.114 108.951 108.800 0.062 0.000 2.838 104 G HA2 -0.119 3.890 3.960 0.082 0.000 0.210 104 G HA3 -0.119 3.890 3.960 0.082 0.000 0.210 104 G C 0.473 175.279 174.900 -0.157 0.000 1.153 104 G CA 0.041 44.962 45.100 -0.298 0.000 0.778 104 G HN 0.384 nan 8.290 nan 0.000 0.539 105 D N 0.719 121.112 120.400 -0.011 0.000 3.139 105 D HA 0.227 4.916 4.640 0.082 0.000 0.268 105 D C 0.452 176.731 176.300 -0.034 0.000 1.322 105 D CA -0.337 53.657 54.000 -0.011 0.000 0.940 105 D CB -0.374 40.447 40.800 0.034 0.000 1.050 105 D HN 0.554 nan 8.370 nan 0.000 0.503 106 Q N -2.315 117.424 119.800 -0.102 0.000 2.575 106 Q HA 0.491 4.880 4.340 0.082 0.000 0.290 106 Q C 0.640 176.526 176.000 -0.191 0.000 0.963 106 Q CA -0.772 54.961 55.803 -0.116 0.000 0.783 106 Q CB 0.271 28.957 28.738 -0.087 0.000 1.467 106 Q HN -0.154 nan 8.270 nan 0.000 0.402 107 E N 0.804 120.875 120.200 -0.215 0.000 2.085 107 E HA -0.131 4.268 4.350 0.082 0.000 0.194 107 E C 0.182 176.427 176.600 -0.591 0.000 0.994 107 E CA 1.922 58.089 56.400 -0.388 0.000 0.801 107 E CB -0.525 28.918 29.700 -0.428 0.000 0.743 107 E HN 0.561 nan 8.360 nan 0.000 0.453 108 H N 0.060 119.041 119.070 -0.147 0.000 2.645 108 H HA 0.344 4.951 4.556 0.084 0.000 0.257 108 H C -2.578 172.616 175.328 -0.223 0.000 1.269 108 H CA -2.548 53.400 56.048 -0.165 0.000 1.409 108 H CB 0.865 30.557 29.762 -0.117 0.000 1.434 108 H HN 0.199 nan 8.280 nan 0.000 0.505 109 P HA -0.038 nan 4.420 nan 0.000 0.267 109 P C 0.165 177.319 177.300 -0.244 0.000 1.200 109 P CA 0.261 62.998 63.100 -0.604 0.000 0.772 109 P CB 0.797 31.521 31.700 -1.626 0.000 0.855 110 N N 0.004 118.720 118.700 0.027 0.000 2.934 110 N HA 0.439 5.228 4.740 0.082 0.000 0.253 110 N C -1.908 173.915 175.510 0.522 0.000 1.466 110 N CA -0.924 52.312 53.050 0.310 0.000 0.858 110 N CB 0.755 39.346 38.487 0.173 0.000 1.459 110 N HN -0.014 nan 8.380 nan 0.000 0.532 111 V N 0.168 120.319 119.914 0.395 0.000 2.435 111 V HA 0.661 4.830 4.120 0.082 0.000 0.290 111 V C -0.373 175.916 176.094 0.325 0.000 1.030 111 V CA -0.284 62.251 62.300 0.391 0.000 0.881 111 V CB 1.085 33.083 31.823 0.291 0.000 0.983 111 V HN 0.830 nan 8.190 nan 0.000 0.445 112 T N 4.262 119.060 114.554 0.407 0.000 2.876 112 T HA 0.494 4.893 4.350 0.082 0.000 0.289 112 T C -0.633 174.108 174.700 0.069 0.000 1.014 112 T CA -0.684 61.525 62.100 0.181 0.000 0.986 112 T CB 1.770 70.751 68.868 0.190 0.000 1.021 112 T HN 0.703 nan 8.240 nan 0.000 0.458 113 E N 1.437 121.564 120.200 -0.122 0.000 2.202 113 E HA 0.612 5.012 4.350 0.082 0.000 0.272 113 E C -1.239 175.148 176.600 -0.354 0.000 0.951 113 E CA -0.647 55.735 56.400 -0.029 0.000 0.813 113 E CB 1.627 31.412 29.700 0.140 0.000 1.151 113 E HN 0.418 nan 8.360 nan 0.000 0.398 114 F N 0.195 120.284 119.950 0.231 0.000 2.576 114 F HA 0.453 5.029 4.527 0.081 0.000 0.313 114 F C -0.068 175.858 175.800 0.209 0.000 1.078 114 F CA -1.079 57.054 58.000 0.221 0.000 0.921 114 F CB 1.664 40.805 39.000 0.235 0.000 1.232 114 F HN 0.422 nan 8.300 nan 0.000 0.459 115 A N 2.211 125.271 122.820 0.401 0.000 2.309 115 A HA 0.672 5.041 4.320 0.082 0.000 0.290 115 A C -0.893 176.901 177.584 0.350 0.000 1.206 115 A CA -0.456 51.784 52.037 0.339 0.000 0.850 115 A CB 0.183 19.375 19.000 0.320 0.000 1.118 115 A HN 0.552 nan 8.150 nan 0.000 0.523 116 V N 2.697 122.715 119.914 0.174 0.000 2.417 116 V HA 0.824 4.993 4.120 0.082 0.000 0.291 116 V C 0.689 176.577 176.094 -0.344 0.000 1.024 116 V CA 0.497 62.756 62.300 -0.069 0.000 0.861 116 V CB 1.201 33.033 31.823 0.014 0.000 0.985 116 V HN 1.355 nan 8.190 nan 0.000 0.436 117 G N 5.606 113.817 108.800 -0.982 0.000 2.550 117 G HA2 0.656 4.665 3.960 0.082 0.000 0.293 117 G HA3 0.656 4.665 3.960 0.082 0.000 0.293 117 G C -3.461 170.729 174.900 -1.185 0.000 1.402 117 G CA -0.841 43.716 45.100 -0.906 0.000 0.784 117 G HN 0.472 nan 8.290 nan 0.000 0.482 118 P HA 0.558 nan 4.420 nan 0.000 0.279 118 P C -0.786 176.382 177.300 -0.221 0.000 1.276 118 P CA -0.503 62.474 63.100 -0.205 0.000 0.801 118 P CB 1.585 33.252 31.700 -0.055 0.000 1.127 119 L N 1.321 122.455 121.223 -0.147 0.000 2.356 119 L HA 0.460 4.849 4.340 0.082 0.000 0.277 119 L C -1.880 174.915 176.870 -0.125 0.000 0.996 119 L CA -2.124 52.635 54.840 -0.135 0.000 0.822 119 L CB 1.600 43.595 42.059 -0.107 0.000 1.256 119 L HN 0.287 nan 8.230 nan 0.000 0.413 120 P HA 0.246 nan 4.420 nan 0.000 0.274 120 P C 0.238 177.464 177.300 -0.123 0.000 1.256 120 P CA -0.044 62.989 63.100 -0.111 0.000 0.795 120 P CB 0.915 32.560 31.700 -0.091 0.000 1.038 121 G N 0.316 109.041 108.800 -0.125 0.000 2.470 121 G HA2 -0.098 3.911 3.960 0.082 0.000 0.286 121 G HA3 -0.098 3.911 3.960 0.082 0.000 0.286 121 G C -2.515 172.254 174.900 -0.219 0.000 1.115 121 G CA -0.688 44.334 45.100 -0.130 0.000 1.122 121 G HN 0.504 nan 8.290 nan 0.000 0.522 122 P HA 0.304 nan 4.420 nan 0.000 0.268 122 P C 1.103 177.936 177.300 -0.778 0.000 1.205 122 P CA 0.522 63.227 63.100 -0.658 0.000 0.771 122 P CB 1.106 32.306 31.700 -0.834 0.000 0.858 123 C N 1.105 119.953 119.300 -0.754 0.000 4.015 123 C HA 0.434 4.943 4.460 0.082 0.000 0.323 123 C C -0.196 174.764 174.990 -0.051 0.000 1.724 123 C CA -0.483 58.343 59.018 -0.320 0.000 1.828 123 C CB -1.364 26.344 27.740 -0.053 0.000 3.083 123 C HN 0.588 nan 8.230 nan 0.000 0.640 124 Y N -1.220 118.979 120.300 -0.168 0.000 2.638 124 Y HA 0.831 5.430 4.550 0.082 0.000 0.339 124 Y C -0.739 175.252 175.900 0.152 0.000 1.084 124 Y CA -2.110 56.039 58.100 0.082 0.000 1.068 124 Y CB 1.119 39.613 38.460 0.056 0.000 1.294 124 Y HN 0.118 nan 8.280 nan 0.000 0.480 125 M N 2.501 122.397 119.600 0.493 0.000 2.150 125 M HA 0.708 5.237 4.480 0.082 0.000 0.255 125 M C -1.467 175.116 176.300 0.472 0.000 0.963 125 M CA -0.414 55.130 55.300 0.407 0.000 1.033 125 M CB 1.136 33.876 32.600 0.234 0.000 2.007 125 M HN 1.130 nan 8.290 nan 0.000 0.462 126 R N 3.150 123.977 120.500 0.545 0.000 2.310 126 R HA 0.882 5.271 4.340 0.082 0.000 0.324 126 R C -0.198 176.364 176.300 0.437 0.000 0.955 126 R CA 0.054 56.408 56.100 0.424 0.000 0.830 126 R CB 0.973 31.429 30.300 0.259 0.000 1.154 126 R HN 0.909 nan 8.270 nan 0.000 0.458 127 A N 2.514 125.543 122.820 0.349 0.000 2.498 127 A HA 0.587 4.956 4.320 0.082 0.000 0.239 127 A C 0.097 177.672 177.584 -0.016 0.000 1.068 127 A CA -0.004 52.013 52.037 -0.034 0.000 0.766 127 A CB 0.085 19.050 19.000 -0.058 0.000 1.003 127 A HN 0.794 nan 8.150 nan 0.000 0.497 128 L N 0.966 122.136 121.223 -0.088 0.000 2.322 128 L HA 0.671 5.060 4.340 0.082 0.000 0.269 128 L C 1.280 178.146 176.870 -0.005 0.000 1.012 128 L CA 0.034 54.877 54.840 0.004 0.000 0.815 128 L CB 1.353 43.445 42.059 0.055 0.000 1.295 128 L HN 1.155 nan 8.230 nan 0.000 0.438 129 S N 0.997 116.713 115.700 0.027 0.000 3.405 129 S HA -0.115 4.405 4.470 0.082 0.000 0.373 129 S C -1.438 173.164 174.600 0.003 0.000 0.939 129 S CA -0.293 57.923 58.200 0.027 0.000 1.295 129 S CB -2.034 61.198 63.200 0.054 0.000 0.919 129 S HN 0.453 nan 8.310 nan 0.000 0.535 130 P HA 0.376 nan 4.420 nan 0.000 0.269 130 P C -0.345 176.957 177.300 0.004 0.000 1.209 130 P CA -0.030 63.071 63.100 0.001 0.000 0.776 130 P CB 0.425 32.128 31.700 0.004 0.000 0.876 131 R N 2.366 122.877 120.500 0.018 0.000 2.494 131 R HA 0.326 4.715 4.340 0.082 0.000 0.284 131 R C -2.338 173.999 176.300 0.062 0.000 1.525 131 R CA -1.583 54.532 56.100 0.025 0.000 1.460 131 R CB 0.777 31.078 30.300 0.001 0.000 1.134 131 R HN 0.397 nan 8.270 nan 0.000 0.592 132 P HA 0.033 nan 4.420 nan 0.000 0.264 132 P C 0.878 178.204 177.300 0.043 0.000 1.193 132 P CA 0.786 63.903 63.100 0.028 0.000 0.763 132 P CB 0.871 32.578 31.700 0.012 0.000 0.810 133 G N 1.694 110.514 108.800 0.034 0.000 2.199 133 G HA2 -0.298 3.711 3.960 0.082 0.000 0.254 133 G HA3 -0.298 3.711 3.960 0.082 0.000 0.254 133 G C -0.107 174.836 174.900 0.072 0.000 0.982 133 G CA -0.129 44.990 45.100 0.032 0.000 0.632 133 G HN 0.611 nan 8.290 nan 0.000 0.529 134 Y N 1.740 122.017 120.300 -0.039 0.000 2.365 134 Y HA 0.570 5.169 4.550 0.081 0.000 0.340 134 Y C 1.320 177.196 175.900 -0.039 0.000 1.016 134 Y CA -0.134 57.943 58.100 -0.040 0.000 1.196 134 Y CB 0.878 39.312 38.460 -0.044 0.000 1.167 134 Y HN 0.195 nan 8.280 nan 0.000 0.509 135 Q N 2.576 122.040 119.800 -0.561 0.000 2.217 135 Q HA 0.138 4.527 4.340 0.082 0.000 0.217 135 Q C 0.542 176.219 176.000 -0.539 0.000 0.844 135 Q CA 0.074 55.623 55.803 -0.424 0.000 0.957 135 Q CB 0.837 29.433 28.738 -0.237 0.000 1.127 135 Q HN 0.588 nan 8.270 nan 0.000 0.503 136 S N -0.067 114.992 115.700 -1.068 0.000 2.575 136 S HA 0.032 4.552 4.470 0.082 0.000 0.237 136 S C 1.422 175.828 174.600 -0.325 0.000 0.975 136 S CA -0.087 57.762 58.200 -0.585 0.000 0.960 136 S CB 0.453 63.424 63.200 -0.381 0.000 0.822 136 S HN 0.291 nan 8.310 nan 0.000 0.472 137 S N 1.560 117.089 115.700 -0.285 0.000 2.372 137 S HA -0.211 4.309 4.470 0.082 0.000 0.227 137 S C 1.536 176.179 174.600 0.071 0.000 1.044 137 S CA 1.369 59.593 58.200 0.040 0.000 1.050 137 S CB -0.374 62.868 63.200 0.070 0.000 0.901 137 S HN 0.840 nan 8.310 nan 0.000 0.447 138 W N 1.530 122.751 121.300 -0.132 0.000 2.379 138 W HA -0.099 4.602 4.660 0.068 0.000 0.307 138 W C 2.515 178.932 176.519 -0.170 0.000 1.200 138 W CA 1.153 58.405 57.345 -0.155 0.000 1.297 138 W CB -0.623 28.769 29.460 -0.114 0.000 1.140 138 W HN 0.497 nan 8.180 nan 0.000 0.507 139 A N 0.384 123.168 122.820 -0.060 0.000 2.019 139 A HA -0.223 4.146 4.320 0.082 0.000 0.219 139 A C 1.948 179.439 177.584 -0.155 0.000 1.164 139 A CA 2.152 54.096 52.037 -0.154 0.000 0.644 139 A CB -1.151 17.810 19.000 -0.066 0.000 0.805 139 A HN 0.363 nan 8.150 nan 0.000 0.449 140 S N 0.283 115.948 115.700 -0.060 0.000 2.515 140 S HA -0.066 4.453 4.470 0.082 0.000 0.231 140 S C 1.113 175.708 174.600 -0.008 0.000 0.987 140 S CA 0.176 58.405 58.200 0.049 0.000 0.936 140 S CB -0.498 62.825 63.200 0.205 0.000 0.766 140 S HN 0.747 nan 8.310 nan 0.000 0.528 141 R N 1.269 121.619 120.500 -0.249 0.000 2.641 141 R HA 0.402 4.791 4.340 0.082 0.000 0.269 141 R C -2.966 173.078 176.300 -0.428 0.000 1.074 141 R CA -1.524 54.326 56.100 -0.417 0.000 1.133 141 R CB -0.803 28.828 30.300 -1.116 0.000 1.029 141 R HN 0.052 nan 8.270 nan 0.000 0.488 142 P HA -0.054 nan 4.420 nan 0.000 0.268 142 P C -0.067 177.044 177.300 -0.315 0.000 1.208 142 P CA -0.059 62.850 63.100 -0.319 0.000 0.777 142 P CB 0.435 32.051 31.700 -0.139 0.000 0.875 143 I N 1.176 121.558 120.570 -0.314 0.000 2.779 143 I HA 0.172 4.391 4.170 0.082 0.000 0.285 143 I C 0.316 176.410 176.117 -0.039 0.000 1.134 143 I CA 0.566 61.696 61.300 -0.283 0.000 1.398 143 I CB 0.564 38.264 38.000 -0.500 0.000 1.404 143 I HN 0.446 nan 8.210 nan 0.000 0.587 144 S N 2.791 118.494 115.700 0.004 0.000 2.632 144 S HA 0.365 4.884 4.470 0.082 0.000 0.289 144 S C 0.538 175.289 174.600 0.252 0.000 1.115 144 S CA -0.426 57.920 58.200 0.245 0.000 0.889 144 S CB 1.632 65.022 63.200 0.317 0.000 1.116 144 S HN 0.661 nan 8.310 nan 0.000 0.486 145 T N 1.712 116.473 114.554 0.344 0.000 2.720 145 T HA -0.101 4.299 4.350 0.082 0.000 0.268 145 T C 2.139 177.034 174.700 0.325 0.000 1.037 145 T CA 1.990 64.321 62.100 0.385 0.000 1.144 145 T CB -0.928 68.112 68.868 0.287 0.000 0.864 145 T HN 0.872 nan 8.240 nan 0.000 0.444 146 A N 1.185 124.156 122.820 0.251 0.000 1.902 146 A HA -0.152 4.217 4.320 0.082 0.000 0.217 146 A C 2.203 179.938 177.584 0.252 0.000 1.181 146 A CA 1.990 54.162 52.037 0.225 0.000 0.623 146 A CB -0.633 18.486 19.000 0.199 0.000 0.818 146 A HN 0.623 nan 8.150 nan 0.000 0.443 147 E N -1.387 118.952 120.200 0.231 0.000 2.077 147 E HA -0.210 4.190 4.350 0.082 0.000 0.193 147 E C 1.724 178.475 176.600 0.252 0.000 0.989 147 E CA 1.277 57.821 56.400 0.240 0.000 0.800 147 E CB -0.282 29.471 29.700 0.088 0.000 0.746 147 E HN 0.785 nan 8.360 nan 0.000 0.452 148 Y N 0.027 120.502 120.300 0.292 0.000 2.181 148 Y HA -0.220 4.379 4.550 0.082 0.000 0.288 148 Y C 2.412 178.572 175.900 0.434 0.000 1.146 148 Y CA 0.673 58.982 58.100 0.348 0.000 1.164 148 Y CB -0.151 38.499 38.460 0.316 0.000 0.982 148 Y HN 0.191 nan 8.280 nan 0.000 0.515 149 A N 0.192 123.312 122.820 0.501 0.000 1.908 149 A HA -0.196 4.173 4.320 0.082 0.000 0.218 149 A C 2.153 179.958 177.584 0.369 0.000 1.181 149 A CA 1.668 53.938 52.037 0.387 0.000 0.627 149 A CB -1.050 18.097 19.000 0.244 0.000 0.818 149 A HN 0.489 nan 8.150 nan 0.000 0.445 150 L N -0.865 120.558 121.223 0.333 0.000 2.093 150 L HA -0.133 4.257 4.340 0.082 0.000 0.208 150 L C 2.548 179.671 176.870 0.422 0.000 1.085 150 L CA 0.814 55.822 54.840 0.280 0.000 0.755 150 L CB -0.463 41.674 42.059 0.130 0.000 0.904 150 L HN 0.361 nan 8.230 nan 0.000 0.435 151 L N -1.752 119.764 121.223 0.489 0.000 2.046 151 L HA -0.264 4.125 4.340 0.082 0.000 0.208 151 L C 2.586 179.521 176.870 0.108 0.000 1.077 151 L CA 1.438 56.429 54.840 0.251 0.000 0.747 151 L CB -0.563 41.520 42.059 0.041 0.000 0.896 151 L HN 0.152 nan 8.230 nan 0.000 0.432 152 Y N -0.659 119.828 120.300 0.311 0.000 2.128 152 Y HA -0.346 4.251 4.550 0.079 0.000 0.284 152 Y C 2.854 178.800 175.900 0.077 0.000 1.154 152 Y CA 2.136 60.379 58.100 0.238 0.000 1.149 152 Y CB -0.589 38.041 38.460 0.284 0.000 0.976 152 Y HN 0.235 nan 8.280 nan 0.000 0.505 153 H N -0.682 118.517 119.070 0.214 0.000 2.319 153 H HA -0.157 4.452 4.556 0.088 0.000 0.299 153 H C 2.096 177.441 175.328 0.029 0.000 1.092 153 H CA 2.416 58.520 56.048 0.094 0.000 1.302 153 H CB -0.403 29.399 29.762 0.066 0.000 1.373 153 H HN 0.205 nan 8.280 nan 0.000 0.497 154 T N 1.035 115.594 114.554 0.009 0.000 2.684 154 T HA -0.157 4.243 4.350 0.082 0.000 0.267 154 T C 2.258 176.858 174.700 -0.167 0.000 1.036 154 T CA 1.497 63.564 62.100 -0.055 0.000 1.148 154 T CB -0.336 68.620 68.868 0.146 0.000 0.863 154 T HN 0.252 nan 8.240 nan 0.000 0.436 155 L N 0.511 121.593 121.223 -0.234 0.000 2.056 155 L HA -0.133 4.256 4.340 0.082 0.000 0.207 155 L C 2.925 179.543 176.870 -0.421 0.000 1.078 155 L CA 1.448 56.056 54.840 -0.387 0.000 0.749 155 L CB -0.574 41.100 42.059 -0.642 0.000 0.901 155 L HN 0.357 nan 8.230 nan 0.000 0.433 156 Q N -0.455 119.117 119.800 -0.380 0.000 2.061 156 Q HA -0.227 4.162 4.340 0.082 0.000 0.204 156 Q C 2.179 178.103 176.000 -0.126 0.000 0.984 156 Q CA 1.535 57.208 55.803 -0.216 0.000 0.846 156 Q CB 0.029 28.726 28.738 -0.069 0.000 0.902 156 Q HN 0.432 nan 8.270 nan 0.000 0.421 157 E N 0.134 120.202 120.200 -0.219 0.000 2.046 157 E HA -0.114 4.285 4.350 0.082 0.000 0.190 157 E C 1.958 178.505 176.600 -0.089 0.000 0.982 157 E CA 1.107 57.406 56.400 -0.167 0.000 0.800 157 E CB -0.248 29.294 29.700 -0.262 0.000 0.756 157 E HN 0.334 nan 8.360 nan 0.000 0.449 158 A N 1.275 124.037 122.820 -0.096 0.000 2.015 158 A HA -0.117 4.252 4.320 0.082 0.000 0.219 158 A C 2.255 179.829 177.584 -0.016 0.000 1.163 158 A CA 2.036 54.043 52.037 -0.050 0.000 0.646 158 A CB -0.665 18.305 19.000 -0.051 0.000 0.806 158 A HN 0.342 nan 8.150 nan 0.000 0.448 159 T N -3.290 111.276 114.554 0.021 0.000 3.144 159 T HA 0.186 4.585 4.350 0.082 0.000 0.249 159 T C 1.336 176.108 174.700 0.120 0.000 1.089 159 T CA 0.446 62.617 62.100 0.118 0.000 0.989 159 T CB -0.062 69.048 68.868 0.404 0.000 0.992 159 T HN 0.457 nan 8.240 nan 0.000 0.540 160 K N 1.680 122.128 120.400 0.080 0.000 2.113 160 K HA -0.070 4.300 4.320 0.082 0.000 0.208 160 K C -0.762 175.862 176.600 0.041 0.000 1.047 160 K CA 1.642 57.977 56.287 0.080 0.000 0.928 160 K CB -1.044 31.473 32.500 0.028 0.000 0.716 160 K HN 0.372 nan 8.250 nan 0.000 0.446 161 P HA -0.121 nan 4.420 nan 0.000 0.222 161 P C 0.720 177.955 177.300 -0.109 0.000 1.147 161 P CA 1.063 64.135 63.100 -0.047 0.000 0.790 161 P CB 0.113 31.773 31.700 -0.066 0.000 0.780 162 L N -2.651 118.435 121.223 -0.229 0.000 2.611 162 L HA 0.067 4.456 4.340 0.082 0.000 0.229 162 L C 2.184 178.752 176.870 -0.504 0.000 1.137 162 L CA 0.069 54.598 54.840 -0.519 0.000 0.901 162 L CB -0.737 40.736 42.059 -0.977 0.000 1.098 162 L HN 0.037 nan 8.230 nan 0.000 0.456 163 H N 1.230 120.193 119.070 -0.179 0.000 2.319 163 H HA -0.261 4.344 4.556 0.082 0.000 0.297 163 H C 2.351 177.715 175.328 0.060 0.000 1.097 163 H CA 2.824 58.905 56.048 0.054 0.000 1.285 163 H CB 0.258 30.087 29.762 0.110 0.000 1.368 163 H HN 0.378 nan 8.280 nan 0.000 0.495 164 Q N 0.254 120.088 119.800 0.056 0.000 2.079 164 Q HA -0.132 4.257 4.340 0.082 0.000 0.200 164 Q C 2.427 178.415 176.000 -0.019 0.000 0.974 164 Q CA 1.533 57.363 55.803 0.044 0.000 0.840 164 Q CB -1.461 27.363 28.738 0.143 0.000 0.898 164 Q HN 0.719 nan 8.270 nan 0.000 0.430 165 F N 0.424 120.191 119.950 -0.304 0.000 2.091 165 F HA -0.152 4.424 4.527 0.081 0.000 0.299 165 F C 1.893 177.455 175.800 -0.396 0.000 1.103 165 F CA 1.887 59.491 58.000 -0.660 0.000 1.228 165 F CB -0.204 38.258 39.000 -0.896 0.000 0.984 165 F HN 0.258 nan 8.300 nan 0.000 0.477 166 F N 0.665 120.492 119.950 -0.204 0.000 2.102 166 F HA -0.184 4.392 4.527 0.081 0.000 0.298 166 F C 2.319 177.951 175.800 -0.279 0.000 1.105 166 F CA 1.313 59.158 58.000 -0.257 0.000 1.239 166 F CB -1.438 37.495 39.000 -0.111 0.000 0.991 166 F HN -0.004 nan 8.300 nan 0.000 0.474 167 L N -0.410 120.777 121.223 -0.060 0.000 2.046 167 L HA -0.248 4.141 4.340 0.082 0.000 0.208 167 L C 2.201 179.030 176.870 -0.067 0.000 1.077 167 L CA 1.312 56.108 54.840 -0.073 0.000 0.747 167 L CB -0.699 41.296 42.059 -0.107 0.000 0.896 167 L HN 0.104 nan 8.230 nan 0.000 0.432 168 N N -0.650 117.987 118.700 -0.105 0.000 2.188 168 N HA -0.136 4.653 4.740 0.082 0.000 0.184 168 N C 1.901 177.326 175.510 -0.141 0.000 1.018 168 N CA 1.903 54.910 53.050 -0.072 0.000 0.858 168 N CB -0.406 38.098 38.487 0.027 0.000 0.989 168 N HN 0.437 nan 8.380 nan 0.000 0.426 169 T N -3.876 110.481 114.554 -0.330 0.000 3.035 169 T HA 0.036 4.435 4.350 0.082 0.000 0.259 169 T C 1.701 176.283 174.700 -0.196 0.000 1.078 169 T CA 1.424 63.313 62.100 -0.351 0.000 1.132 169 T CB -0.180 68.232 68.868 -0.760 0.000 0.900 169 T HN 0.304 nan 8.240 nan 0.000 0.480 170 T N -3.374 111.093 114.554 -0.145 0.000 2.969 170 T HA 0.485 4.884 4.350 0.082 0.000 0.258 170 T C 1.910 176.656 174.700 0.077 0.000 0.962 170 T CA 0.823 62.875 62.100 -0.080 0.000 0.903 170 T CB -0.105 68.679 68.868 -0.140 0.000 1.177 170 T HN 0.900 nan 8.240 nan 0.000 0.511 171 G N 1.162 110.022 108.800 0.101 0.000 2.189 171 G HA2 -0.203 3.806 3.960 0.082 0.000 0.267 171 G HA3 -0.203 3.806 3.960 0.082 0.000 0.267 171 G C -0.167 174.889 174.900 0.261 0.000 0.975 171 G CA 0.499 45.704 45.100 0.176 0.000 0.644 171 G HN 0.548 nan 8.290 nan 0.000 0.537 172 F N 0.567 120.448 119.950 -0.115 0.000 2.594 172 F HA 0.850 5.425 4.527 0.081 0.000 0.335 172 F C 0.710 176.385 175.800 -0.209 0.000 1.058 172 F CA -0.753 57.154 58.000 -0.155 0.000 0.981 172 F CB 2.152 41.034 39.000 -0.196 0.000 1.289 172 F HN 0.563 nan 8.300 nan 0.000 0.490 173 S N -0.639 115.008 115.700 -0.089 0.000 2.703 173 S HA 0.497 5.016 4.470 0.082 0.000 0.273 173 S C -0.719 173.743 174.600 -0.229 0.000 1.178 173 S CA -0.585 57.525 58.200 -0.150 0.000 0.838 173 S CB 0.748 63.968 63.200 0.034 0.000 1.178 173 S HN 0.245 nan 8.310 nan 0.000 0.494 174 F N 1.104 121.119 119.950 0.109 0.000 2.721 174 F HA 0.432 5.009 4.527 0.083 0.000 0.301 174 F C 1.028 176.892 175.800 0.108 0.000 1.096 174 F CA -0.044 58.019 58.000 0.106 0.000 1.308 174 F CB 0.352 39.442 39.000 0.151 0.000 1.086 174 F HN 0.432 nan 8.300 nan 0.000 0.587 175 Q N 0.403 120.396 119.800 0.322 0.000 2.340 175 Q HA 0.198 4.588 4.340 0.082 0.000 0.268 175 Q C -0.742 175.324 176.000 0.110 0.000 1.031 175 Q CA -0.703 55.209 55.803 0.181 0.000 0.804 175 Q CB 1.692 30.497 28.738 0.113 0.000 1.286 175 Q HN 0.139 nan 8.270 nan 0.000 0.448 176 D N 1.099 121.483 120.400 -0.027 0.000 2.686 176 D HA -0.184 4.505 4.640 0.082 0.000 0.235 176 D C 0.720 176.925 176.300 -0.158 0.000 1.160 176 D CA 0.953 54.891 54.000 -0.104 0.000 0.645 176 D CB -1.176 39.667 40.800 0.071 0.000 1.039 176 D HN 0.795 nan 8.370 nan 0.000 0.423 177 c N -3.121 115.287 118.600 -0.319 0.000 2.609 177 c HA 0.109 4.728 4.570 0.082 0.000 0.305 177 c C 1.830 175.804 174.090 -0.193 0.000 1.319 177 c CA 0.452 56.669 56.329 -0.187 0.000 1.793 177 c CB 0.212 42.645 42.510 -0.129 0.000 2.260 177 c HN 0.651 nan 8.230 nan 0.000 0.535 178 H N 2.708 121.746 119.070 -0.053 0.000 1.452 178 H HA -0.230 4.375 4.556 0.082 0.000 0.090 178 H C 0.821 176.097 175.328 -0.086 0.000 0.610 178 H CA 2.625 58.637 56.048 -0.060 0.000 1.901 178 H CB -1.934 27.794 29.762 -0.057 0.000 2.257 178 H HN 0.669 nan 8.280 nan 0.000 0.961 179 D N 2.477 122.881 120.400 0.008 0.000 2.328 179 D HA 0.089 4.778 4.640 0.082 0.000 0.221 179 D C 0.586 176.711 176.300 -0.291 0.000 1.072 179 D CA 0.276 54.219 54.000 -0.096 0.000 0.850 179 D CB 0.085 40.836 40.800 -0.082 0.000 0.922 179 D HN 0.357 nan 8.370 nan 0.000 0.516 180 R N 0.024 120.256 120.500 -0.446 0.000 2.782 180 R HA 0.323 4.712 4.340 0.082 0.000 0.293 180 R C -1.018 174.849 176.300 -0.722 0.000 1.333 180 R CA -0.405 54.998 56.100 -1.161 0.000 1.479 180 R CB 0.519 30.133 30.300 -1.143 0.000 1.306 180 R HN 0.046 nan 8.270 nan 0.000 0.654 181 c N 1.367 119.842 118.600 -0.208 0.000 2.358 181 c HA 0.473 5.092 4.570 0.082 0.000 0.342 181 c C 0.762 174.922 174.090 0.116 0.000 1.234 181 c CA -0.832 55.472 56.329 -0.042 0.000 1.969 181 c CB 0.640 43.128 42.510 -0.038 0.000 2.346 181 c HN 0.528 nan 8.230 nan 0.000 0.525 182 L N 2.670 123.749 121.223 -0.240 0.000 2.436 182 L HA 0.572 4.961 4.340 0.082 0.000 0.265 182 L C 0.608 177.364 176.870 -0.190 0.000 1.168 182 L CA 0.201 54.784 54.840 -0.428 0.000 0.815 182 L CB 0.321 41.657 42.059 -1.206 0.000 1.109 182 L HN 0.871 nan 8.230 nan 0.000 0.462 183 A N 1.893 124.727 122.820 0.024 0.000 2.486 183 A HA 0.900 5.269 4.320 0.082 0.000 0.289 183 A C -1.188 176.613 177.584 0.361 0.000 1.176 183 A CA -0.455 51.710 52.037 0.214 0.000 0.757 183 A CB 1.706 20.645 19.000 -0.102 0.000 1.337 183 A HN 0.588 nan 8.150 nan 0.000 0.423 184 F N -1.831 118.251 119.950 0.221 0.000 2.613 184 F HA 0.829 5.404 4.527 0.079 0.000 0.314 184 F C -0.588 175.339 175.800 0.212 0.000 1.075 184 F CA -0.635 57.468 58.000 0.171 0.000 0.945 184 F CB 1.736 40.771 39.000 0.059 0.000 1.310 184 F HN 0.341 nan 8.300 nan 0.000 0.467 185 T N 2.274 117.085 114.554 0.427 0.000 2.809 185 T HA 0.280 4.679 4.350 0.082 0.000 0.284 185 T C -1.221 173.751 174.700 0.454 0.000 0.992 185 T CA -0.691 61.624 62.100 0.359 0.000 0.957 185 T CB 0.796 69.960 68.868 0.492 0.000 0.942 185 T HN 0.710 nan 8.240 nan 0.000 0.439 186 D N 2.395 123.060 120.400 0.440 0.000 2.255 186 D HA 0.371 5.060 4.640 0.082 0.000 0.249 186 D C 0.526 177.103 176.300 0.463 0.000 1.078 186 D CA -0.540 53.751 54.000 0.485 0.000 0.896 186 D CB 1.325 42.462 40.800 0.562 0.000 1.194 186 D HN 0.363 nan 8.370 nan 0.000 0.429 187 V N -1.875 118.273 119.914 0.390 0.000 2.975 187 V HA 0.941 5.110 4.120 0.082 0.000 0.318 187 V C -0.339 175.929 176.094 0.290 0.000 1.077 187 V CA -0.839 61.621 62.300 0.267 0.000 1.000 187 V CB 1.028 32.889 31.823 0.063 0.000 1.066 187 V HN 1.021 nan 8.190 nan 0.000 0.452 188 A N 2.684 125.610 122.820 0.177 0.000 2.556 188 A HA 0.974 5.343 4.320 0.082 0.000 0.294 188 A C -3.023 174.596 177.584 0.059 0.000 1.091 188 A CA -1.801 50.366 52.037 0.216 0.000 0.704 188 A CB 1.817 21.067 19.000 0.417 0.000 1.300 188 A HN 0.792 nan 8.150 nan 0.000 0.406 189 P HA 0.308 nan 4.420 nan 0.000 0.275 189 P C -0.881 176.521 177.300 0.169 0.000 1.266 189 P CA -0.174 62.961 63.100 0.057 0.000 0.793 189 P CB 0.530 32.124 31.700 -0.176 0.000 1.074 190 R N 0.285 120.910 120.500 0.209 0.000 2.724 190 R HA 0.626 5.015 4.340 0.082 0.000 0.284 190 R C 0.429 176.825 176.300 0.160 0.000 1.481 190 R CA -0.327 55.867 56.100 0.157 0.000 1.652 190 R CB 0.375 30.708 30.300 0.054 0.000 1.175 190 R HN 0.869 nan 8.270 nan 0.000 0.613 191 G N -0.400 108.537 108.800 0.227 0.000 2.302 191 G HA2 -0.121 3.888 3.960 0.082 0.000 0.276 191 G HA3 -0.121 3.888 3.960 0.082 0.000 0.276 191 G C -0.153 174.851 174.900 0.174 0.000 1.316 191 G CA -0.305 44.865 45.100 0.116 0.000 0.988 191 G HN 0.260 nan 8.290 nan 0.000 0.479 192 V N -3.262 116.566 119.914 -0.144 0.000 3.432 192 V HA 0.801 4.970 4.120 0.082 0.000 0.298 192 V C 0.607 176.169 176.094 -0.887 0.000 1.464 192 V CA 1.243 63.410 62.300 -0.223 0.000 1.046 192 V CB -0.006 31.750 31.823 -0.113 0.000 0.887 192 V HN 2.536 nan 8.190 nan 0.000 0.441 193 A N -0.400 121.551 122.820 -1.449 0.000 2.608 193 A HA 0.689 5.059 4.320 0.082 0.000 0.292 193 A C -0.272 176.588 177.584 -1.205 0.000 1.066 193 A CA 0.141 51.216 52.037 -1.603 0.000 0.676 193 A CB 0.979 19.539 19.000 -0.734 0.000 1.277 193 A HN 0.586 nan 8.150 nan 0.000 0.413 194 S N -0.162 115.159 115.700 -0.630 0.000 2.575 194 S HA 0.407 4.926 4.470 0.082 0.000 0.295 194 S C 1.459 175.988 174.600 -0.119 0.000 1.267 194 S CA 1.967 60.143 58.200 -0.040 0.000 1.074 194 S CB -0.198 63.064 63.200 0.104 0.000 0.829 194 S HN 2.654 nan 8.310 nan 0.000 0.497 195 G N 3.662 112.438 108.800 -0.041 0.000 2.213 195 G HA2 -0.180 3.829 3.960 0.082 0.000 0.226 195 G HA3 -0.180 3.829 3.960 0.082 0.000 0.226 195 G C -0.076 174.767 174.900 -0.095 0.000 0.992 195 G CA 0.071 45.121 45.100 -0.083 0.000 0.632 195 G HN 0.734 nan 8.290 nan 0.000 0.511 196 Q N -0.311 119.418 119.800 -0.118 0.000 2.260 196 Q HA 0.650 5.039 4.340 0.082 0.000 0.242 196 Q C 0.303 176.231 176.000 -0.119 0.000 0.932 196 Q CA -0.388 55.336 55.803 -0.132 0.000 0.891 196 Q CB 1.253 29.889 28.738 -0.170 0.000 1.222 196 Q HN 0.271 nan 8.270 nan 0.000 0.453 197 R N 1.680 122.052 120.500 -0.214 0.000 2.644 197 R HA 0.241 4.631 4.340 0.082 0.000 0.271 197 R C -1.188 174.838 176.300 -0.457 0.000 1.687 197 R CA -0.179 55.692 56.100 -0.382 0.000 1.655 197 R CB 0.429 30.401 30.300 -0.547 0.000 1.285 197 R HN 0.520 nan 8.270 nan 0.000 0.643 198 R N 0.857 121.219 120.500 -0.229 0.000 2.371 198 R HA 0.364 4.753 4.340 0.082 0.000 0.312 198 R C -0.976 175.268 176.300 -0.094 0.000 0.980 198 R CA -0.504 55.492 56.100 -0.174 0.000 0.867 198 R CB 2.261 32.459 30.300 -0.170 0.000 1.163 198 R HN 0.147 nan 8.270 nan 0.000 0.492 199 S N 2.049 117.732 115.700 -0.028 0.000 2.451 199 S HA 0.311 4.830 4.470 0.082 0.000 0.301 199 S C -0.842 173.725 174.600 -0.056 0.000 1.116 199 S CA -0.776 57.456 58.200 0.052 0.000 1.093 199 S CB 0.736 64.041 63.200 0.174 0.000 1.017 199 S HN 0.383 nan 8.310 nan 0.000 0.482 200 W N 3.534 124.881 121.300 0.078 0.000 2.266 200 W HA 0.449 5.159 4.660 0.083 0.000 0.317 200 W C -0.454 176.121 176.519 0.093 0.000 1.310 200 W CA -0.489 56.897 57.345 0.068 0.000 1.207 200 W CB 0.407 29.896 29.460 0.049 0.000 1.199 200 W HN 0.346 nan 8.180 nan 0.000 0.544 201 L N 5.940 127.384 121.223 0.368 0.000 2.333 201 L HA 0.491 4.880 4.340 0.082 0.000 0.280 201 L C -0.335 176.740 176.870 0.342 0.000 1.004 201 L CA -1.049 53.965 54.840 0.289 0.000 0.820 201 L CB 1.134 43.197 42.059 0.007 0.000 1.247 201 L HN 0.259 nan 8.230 nan 0.000 0.416 202 I N 4.444 125.225 120.570 0.351 0.000 2.312 202 I HA 0.210 4.429 4.170 0.082 0.000 0.291 202 I C 0.031 176.347 176.117 0.332 0.000 1.031 202 I CA -0.477 61.000 61.300 0.296 0.000 1.293 202 I CB 1.009 39.159 38.000 0.250 0.000 1.403 202 I HN 0.343 nan 8.210 nan 0.000 0.484 203 I N 6.582 127.330 120.570 0.296 0.000 2.474 203 I HA 0.280 4.499 4.170 0.082 0.000 0.287 203 I C 0.154 176.387 176.117 0.194 0.000 1.048 203 I CA -0.123 61.338 61.300 0.268 0.000 1.383 203 I CB 0.714 38.857 38.000 0.238 0.000 1.412 203 I HN 0.652 nan 8.210 nan 0.000 0.531 204 Q N 4.488 124.382 119.800 0.157 0.000 2.456 204 Q HA 0.496 4.885 4.340 0.082 0.000 0.283 204 Q C -0.878 175.126 176.000 0.005 0.000 1.084 204 Q CA -0.942 54.939 55.803 0.132 0.000 0.801 204 Q CB 2.776 31.657 28.738 0.238 0.000 1.434 204 Q HN 0.420 nan 8.270 nan 0.000 0.419 205 R N 0.942 121.392 120.500 -0.084 0.000 2.298 205 R HA 0.121 4.510 4.340 0.082 0.000 0.310 205 R C -0.900 175.365 176.300 -0.058 0.000 1.068 205 R CA -0.295 55.622 56.100 -0.305 0.000 0.957 205 R CB 0.399 30.212 30.300 -0.812 0.000 1.003 205 R HN 0.485 nan 8.270 nan 0.000 0.454 206 Y N 5.365 125.637 120.300 -0.046 0.000 2.594 206 Y HA 0.182 4.782 4.550 0.084 0.000 0.344 206 Y C -0.187 175.697 175.900 -0.026 0.000 1.185 206 Y CA -0.549 57.493 58.100 -0.097 0.000 1.565 206 Y CB -0.255 38.111 38.460 -0.156 0.000 1.415 206 Y HN 0.345 nan 8.280 nan 0.000 0.488 207 V N 1.559 121.285 119.914 -0.315 0.000 3.164 207 V HA 0.501 4.670 4.120 0.082 0.000 0.313 207 V C -0.176 175.687 176.094 -0.387 0.000 1.188 207 V CA -1.557 60.516 62.300 -0.378 0.000 1.058 207 V CB 1.552 33.112 31.823 -0.437 0.000 1.110 207 V HN 0.478 nan 8.190 nan 0.000 0.453 208 E N 0.818 120.834 120.200 -0.306 0.000 2.493 208 E HA 0.327 4.726 4.350 0.082 0.000 0.255 208 E C 0.947 177.418 176.600 -0.214 0.000 0.999 208 E CA 0.998 57.269 56.400 -0.214 0.000 0.934 208 E CB -0.028 29.592 29.700 -0.133 0.000 0.940 208 E HN 1.961 nan 8.360 nan 0.000 0.473 209 G N 4.629 113.265 108.800 -0.272 0.000 2.272 209 G HA2 -0.336 3.673 3.960 0.082 0.000 0.280 209 G HA3 -0.336 3.673 3.960 0.082 0.000 0.280 209 G C 0.245 174.835 174.900 -0.517 0.000 1.067 209 G CA 0.624 45.418 45.100 -0.510 0.000 0.902 209 G HN 0.856 nan 8.290 nan 0.000 0.500 210 Y N -2.249 117.723 120.300 -0.547 0.000 2.283 210 Y HA -0.056 4.543 4.550 0.082 0.000 0.285 210 Y C 2.234 178.002 175.900 -0.220 0.000 1.176 210 Y CA 1.490 59.376 58.100 -0.357 0.000 1.229 210 Y CB -0.865 37.390 38.460 -0.341 0.000 0.975 210 Y HN 0.302 nan 8.280 nan 0.000 0.537 211 F N 0.812 120.408 119.950 -0.590 0.000 2.236 211 F HA -0.174 4.402 4.527 0.081 0.000 0.302 211 F C 1.589 177.359 175.800 -0.050 0.000 1.073 211 F CA 1.041 58.853 58.000 -0.314 0.000 1.336 211 F CB -0.524 38.172 39.000 -0.507 0.000 1.040 211 F HN 0.109 nan 8.300 nan 0.000 0.507 212 L N -0.371 120.917 121.223 0.109 0.000 2.741 212 L HA 0.132 4.521 4.340 0.082 0.000 0.237 212 L C 0.121 176.959 176.870 -0.055 0.000 1.178 212 L CA 0.096 54.996 54.840 0.100 0.000 0.973 212 L CB -0.313 41.824 42.059 0.131 0.000 1.255 212 L HN 0.229 nan 8.230 nan 0.000 0.498 213 H N 1.093 120.242 119.070 0.132 0.000 2.429 213 H HA 0.258 4.863 4.556 0.082 0.000 0.237 213 H C -2.330 173.086 175.328 0.146 0.000 1.378 213 H CA -1.574 54.553 56.048 0.132 0.000 1.170 213 H CB 0.547 30.303 29.762 -0.009 0.000 1.671 213 H HN 0.077 nan 8.280 nan 0.000 0.541 214 P HA -0.021 nan 4.420 nan 0.000 0.268 214 P C 1.235 178.704 177.300 0.281 0.000 1.205 214 P CA 0.112 63.382 63.100 0.284 0.000 0.771 214 P CB 1.372 33.279 31.700 0.345 0.000 0.858 215 T N -1.545 113.084 114.554 0.124 0.000 3.057 215 T HA 0.240 4.639 4.350 0.082 0.000 0.254 215 T C 1.339 175.791 174.700 -0.413 0.000 1.094 215 T CA 0.883 62.966 62.100 -0.027 0.000 1.088 215 T CB -0.652 68.202 68.868 -0.022 0.000 0.934 215 T HN 0.632 nan 8.240 nan 0.000 0.497 216 G N 0.659 109.106 108.800 -0.589 0.000 2.213 216 G HA2 -0.145 3.864 3.960 0.082 0.000 0.226 216 G HA3 -0.145 3.864 3.960 0.082 0.000 0.226 216 G C -0.272 174.549 174.900 -0.132 0.000 0.992 216 G CA -0.053 44.357 45.100 -1.150 0.000 0.632 216 G HN 0.703 nan 8.290 nan 0.000 0.511 217 L N 1.672 123.037 121.223 0.237 0.000 2.312 217 L HA 0.824 5.213 4.340 0.082 0.000 0.281 217 L C -0.093 177.018 176.870 0.402 0.000 1.070 217 L CA -0.605 54.496 54.840 0.435 0.000 0.805 217 L CB 1.103 43.431 42.059 0.449 0.000 1.174 217 L HN 0.265 nan 8.230 nan 0.000 0.434 218 E N 5.194 125.689 120.200 0.492 0.000 2.293 218 E HA 0.602 5.001 4.350 0.082 0.000 0.270 218 E C -1.554 175.417 176.600 0.619 0.000 0.879 218 E CA -0.692 55.991 56.400 0.472 0.000 0.756 218 E CB 2.364 32.236 29.700 0.287 0.000 1.208 218 E HN 0.482 nan 8.360 nan 0.000 0.428 219 L N 2.394 123.933 121.223 0.526 0.000 2.386 219 L HA 0.492 4.881 4.340 0.082 0.000 0.271 219 L C -1.164 175.682 176.870 -0.040 0.000 0.993 219 L CA -1.114 53.899 54.840 0.288 0.000 0.819 219 L CB 1.580 43.713 42.059 0.123 0.000 1.294 219 L HN 0.304 nan 8.230 nan 0.000 0.414 220 L N 3.752 124.656 121.223 -0.531 0.000 2.272 220 L HA 0.610 4.999 4.340 0.082 0.000 0.289 220 L C -0.765 175.850 176.870 -0.425 0.000 1.032 220 L CA -0.158 54.140 54.840 -0.903 0.000 0.810 220 L CB 1.558 42.699 42.059 -1.530 0.000 1.205 220 L HN 0.302 nan 8.230 nan 0.000 0.422 221 V N 4.313 124.036 119.914 -0.318 0.000 2.448 221 V HA 0.358 4.527 4.120 0.082 0.000 0.295 221 V C -0.588 175.419 176.094 -0.145 0.000 1.025 221 V CA -0.760 61.418 62.300 -0.202 0.000 0.859 221 V CB 1.637 33.323 31.823 -0.229 0.000 0.988 221 V HN 0.684 nan 8.190 nan 0.000 0.431 222 D N 3.475 123.793 120.400 -0.135 0.000 2.339 222 D HA 0.213 4.902 4.640 0.082 0.000 0.241 222 D C 0.411 176.549 176.300 -0.271 0.000 1.183 222 D CA -0.189 53.712 54.000 -0.165 0.000 0.859 222 D CB 0.538 41.272 40.800 -0.111 0.000 1.067 222 D HN 0.851 nan 8.370 nan 0.000 0.484 223 H N 0.839 119.503 119.070 -0.677 0.000 2.505 223 H HA 0.457 5.061 4.556 0.079 0.000 0.260 223 H C 1.257 176.107 175.328 -0.795 0.000 1.168 223 H CA -0.749 54.391 56.048 -1.515 0.000 0.945 223 H CB 0.753 29.260 29.762 -2.092 0.000 1.800 223 H HN 0.320 nan 8.280 nan 0.000 0.586 224 G N 0.239 108.805 108.800 -0.390 0.000 2.403 224 G HA2 -0.190 3.819 3.960 0.082 0.000 0.216 224 G HA3 -0.190 3.819 3.960 0.082 0.000 0.216 224 G C 0.794 175.804 174.900 0.185 0.000 1.154 224 G CA 0.312 45.334 45.100 -0.129 0.000 0.784 224 G HN 0.455 nan 8.290 nan 0.000 0.538 225 S N 0.221 116.132 115.700 0.351 0.000 2.560 225 S HA 0.219 4.738 4.470 0.082 0.000 0.284 225 S C 2.002 176.906 174.600 0.506 0.000 1.327 225 S CA 0.550 59.009 58.200 0.432 0.000 1.055 225 S CB 0.901 64.403 63.200 0.503 0.000 0.868 225 S HN 0.453 nan 8.310 nan 0.000 0.506 226 T N 0.666 115.402 114.554 0.304 0.000 3.072 226 T HA -0.011 4.388 4.350 0.082 0.000 0.266 226 T C 0.359 175.094 174.700 0.057 0.000 1.127 226 T CA 0.550 62.795 62.100 0.243 0.000 1.107 226 T CB -0.197 68.734 68.868 0.105 0.000 0.910 226 T HN 0.531 nan 8.240 nan 0.000 0.513 227 D N 1.017 121.373 120.400 -0.074 0.000 2.428 227 D HA 0.569 5.258 4.640 0.082 0.000 0.221 227 D C 1.076 177.043 176.300 -0.554 0.000 1.123 227 D CA -0.347 53.432 54.000 -0.367 0.000 0.869 227 D CB 1.125 41.510 40.800 -0.691 0.000 1.032 227 D HN 0.172 nan 8.370 nan 0.000 0.506 228 A N 3.070 125.419 122.820 -0.786 0.000 2.125 228 A HA 0.012 4.381 4.320 0.082 0.000 0.219 228 A C 1.998 179.099 177.584 -0.805 0.000 1.156 228 A CA 1.317 52.413 52.037 -1.568 0.000 0.671 228 A CB -0.400 17.700 19.000 -1.500 0.000 0.794 228 A HN 0.608 nan 8.150 nan 0.000 0.459 229 G N -1.359 107.164 108.800 -0.462 0.000 2.498 229 G HA2 -0.180 3.829 3.960 0.082 0.000 0.219 229 G HA3 -0.180 3.829 3.960 0.082 0.000 0.219 229 G C 1.198 176.090 174.900 -0.013 0.000 1.119 229 G CA 1.018 45.998 45.100 -0.201 0.000 0.766 229 G HN 0.842 nan 8.290 nan 0.000 0.552 230 H N -2.162 116.882 119.070 -0.043 0.000 2.535 230 H HA 0.071 4.680 4.556 0.088 0.000 0.273 230 H C 0.450 175.923 175.328 0.241 0.000 0.983 230 H CA -0.744 55.359 56.048 0.091 0.000 1.238 230 H CB 0.282 30.118 29.762 0.124 0.000 1.412 230 H HN 0.247 nan 8.280 nan 0.000 0.562 231 W N 1.637 123.011 121.300 0.123 0.000 2.181 231 W HA 0.417 5.128 4.660 0.086 0.000 0.335 231 W C 0.188 176.724 176.519 0.029 0.000 1.310 231 W CA -0.927 56.462 57.345 0.073 0.000 1.226 231 W CB -0.079 29.419 29.460 0.062 0.000 1.155 231 W HN -0.011 nan 8.180 nan 0.000 0.565 232 A N 1.984 124.930 122.820 0.210 0.000 2.515 232 A HA 0.653 5.022 4.320 0.082 0.000 0.298 232 A C -1.365 176.225 177.584 0.009 0.000 1.059 232 A CA -0.839 51.250 52.037 0.088 0.000 0.698 232 A CB 1.180 20.215 19.000 0.059 0.000 1.289 232 A HN 0.259 nan 8.150 nan 0.000 0.404 233 V N 2.573 122.480 119.914 -0.013 0.000 2.415 233 V HA 0.107 4.276 4.120 0.082 0.000 0.267 233 V C 1.212 177.279 176.094 -0.045 0.000 1.042 233 V CA 0.981 63.251 62.300 -0.050 0.000 1.000 233 V CB 0.213 32.018 31.823 -0.031 0.000 1.015 233 V HN 1.085 nan 8.190 nan 0.000 0.478 234 E N 3.354 123.501 120.200 -0.089 0.000 2.452 234 E HA 0.201 4.600 4.350 0.082 0.000 0.197 234 E C 0.538 177.115 176.600 -0.039 0.000 1.022 234 E CA -0.202 56.157 56.400 -0.069 0.000 0.890 234 E CB 0.704 30.345 29.700 -0.098 0.000 0.918 234 E HN 0.566 nan 8.360 nan 0.000 0.496 235 Q N 0.359 120.134 119.800 -0.042 0.000 2.426 235 Q HA 0.408 4.798 4.340 0.082 0.000 0.278 235 Q C -2.189 173.953 176.000 0.236 0.000 1.007 235 Q CA -0.731 55.142 55.803 0.116 0.000 0.850 235 Q CB 2.560 31.381 28.738 0.139 0.000 1.427 235 Q HN 0.061 nan 8.270 nan 0.000 0.391 236 V N 2.610 122.786 119.914 0.437 0.000 2.638 236 V HA 0.649 4.818 4.120 0.082 0.000 0.306 236 V C -1.398 175.083 176.094 0.644 0.000 1.052 236 V CA -0.667 61.919 62.300 0.478 0.000 0.885 236 V CB 1.815 33.812 31.823 0.291 0.000 0.999 236 V HN 0.846 nan 8.190 nan 0.000 0.424 237 W N 5.974 127.497 121.300 0.372 0.000 2.656 237 W HA 0.713 5.422 4.660 0.081 0.000 0.327 237 W C -1.787 174.828 176.519 0.159 0.000 1.041 237 W CA -0.746 56.634 57.345 0.059 0.000 1.229 237 W CB 1.539 30.808 29.460 -0.318 0.000 1.397 237 W HN 0.594 nan 8.180 nan 0.000 0.479 238 Y N 7.207 127.251 120.300 -0.426 0.000 2.354 238 Y HA 0.236 4.835 4.550 0.082 0.000 0.330 238 Y C 0.255 175.664 175.900 -0.818 0.000 1.011 238 Y CA -1.335 56.491 58.100 -0.457 0.000 1.099 238 Y CB 0.971 39.303 38.460 -0.213 0.000 1.179 238 Y HN 0.639 nan 8.280 nan 0.000 0.442 239 N N 4.243 121.915 118.700 -1.714 0.000 2.699 239 N HA -0.197 4.592 4.740 0.082 0.000 0.256 239 N C 0.696 175.694 175.510 -0.854 0.000 0.993 239 N CA 2.185 54.555 53.050 -1.133 0.000 0.759 239 N CB -1.076 36.799 38.487 -1.020 0.000 0.906 239 N HN 1.602 nan 8.380 nan 0.000 0.541 240 G N -1.604 106.368 108.800 -1.379 0.000 2.176 240 G HA2 -0.252 3.757 3.960 0.082 0.000 0.232 240 G HA3 -0.252 3.757 3.960 0.082 0.000 0.232 240 G C -0.323 174.247 174.900 -0.550 0.000 0.986 240 G CA 0.539 45.316 45.100 -0.538 0.000 0.643 240 G HN 0.539 nan 8.290 nan 0.000 0.522 241 K N -0.290 119.581 120.400 -0.881 0.000 2.426 241 K HA 0.663 5.032 4.320 0.082 0.000 0.251 241 K C -0.836 175.371 176.600 -0.655 0.000 0.941 241 K CA -0.858 55.089 56.287 -0.566 0.000 0.808 241 K CB 1.574 33.798 32.500 -0.461 0.000 1.265 241 K HN 0.033 nan 8.250 nan 0.000 0.432 242 F N 0.958 120.784 119.950 -0.206 0.000 2.384 242 F HA 0.235 4.811 4.527 0.081 0.000 0.338 242 F C 1.006 176.627 175.800 -0.299 0.000 1.103 242 F CA -0.097 57.888 58.000 -0.026 0.000 1.157 242 F CB 0.563 39.637 39.000 0.124 0.000 1.167 242 F HN 0.514 nan 8.300 nan 0.000 0.529 243 Y N 0.234 120.687 120.300 0.255 0.000 2.527 243 Y HA 0.297 4.896 4.550 0.082 0.000 0.247 243 Y C 1.565 177.534 175.900 0.115 0.000 1.138 243 Y CA 0.226 58.403 58.100 0.129 0.000 1.228 243 Y CB 0.807 39.289 38.460 0.037 0.000 1.252 243 Y HN 0.822 nan 8.280 nan 0.000 0.531 244 G N 0.832 109.796 108.800 0.273 0.000 2.990 244 G HA2 -0.328 3.682 3.960 0.082 0.000 0.225 244 G HA3 -0.328 3.682 3.960 0.082 0.000 0.225 244 G C 0.380 175.356 174.900 0.126 0.000 1.304 244 G CA 0.487 45.686 45.100 0.165 0.000 0.816 244 G HN 0.713 nan 8.290 nan 0.000 0.528 245 S N -0.579 115.190 115.700 0.115 0.000 2.596 245 S HA 0.729 5.248 4.470 0.082 0.000 0.270 245 S C -2.145 172.466 174.600 0.017 0.000 1.155 245 S CA -0.274 57.960 58.200 0.057 0.000 0.827 245 S CB 2.286 65.504 63.200 0.031 0.000 1.130 245 S HN 0.055 nan 8.310 nan 0.000 0.467 246 P HA 0.010 nan 4.420 nan 0.000 0.215 246 P C 1.871 179.096 177.300 -0.125 0.000 1.153 246 P CA 2.478 65.520 63.100 -0.097 0.000 0.853 246 P CB -0.241 31.419 31.700 -0.067 0.000 0.788 247 E N 0.616 120.776 120.200 -0.066 0.000 2.085 247 E HA -0.293 4.106 4.350 0.082 0.000 0.194 247 E C 2.016 178.585 176.600 -0.052 0.000 0.994 247 E CA 1.804 58.171 56.400 -0.055 0.000 0.801 247 E CB -1.565 28.120 29.700 -0.024 0.000 0.743 247 E HN 0.485 nan 8.360 nan 0.000 0.453 248 E N -0.625 119.563 120.200 -0.020 0.000 2.072 248 E HA -0.123 4.276 4.350 0.082 0.000 0.191 248 E C 2.213 178.799 176.600 -0.024 0.000 0.985 248 E CA 1.163 57.576 56.400 0.021 0.000 0.801 248 E CB -0.153 29.602 29.700 0.091 0.000 0.750 248 E HN 0.404 nan 8.360 nan 0.000 0.452 249 L N 1.036 122.172 121.223 -0.145 0.000 2.042 249 L HA -0.107 4.283 4.340 0.082 0.000 0.210 249 L C 2.260 178.877 176.870 -0.422 0.000 1.076 249 L CA 2.275 56.828 54.840 -0.478 0.000 0.749 249 L CB -0.808 40.811 42.059 -0.734 0.000 0.893 249 L HN 0.182 nan 8.230 nan 0.000 0.432 250 A N -0.344 122.286 122.820 -0.316 0.000 1.902 250 A HA -0.174 4.195 4.320 0.082 0.000 0.217 250 A C 2.643 180.200 177.584 -0.044 0.000 1.181 250 A CA 2.447 54.368 52.037 -0.193 0.000 0.623 250 A CB -0.896 18.013 19.000 -0.153 0.000 0.818 250 A HN 0.488 nan 8.150 nan 0.000 0.443 251 R N 0.265 120.737 120.500 -0.046 0.000 2.066 251 R HA -0.065 4.324 4.340 0.082 0.000 0.232 251 R C 2.186 178.489 176.300 0.005 0.000 1.131 251 R CA 1.864 57.958 56.100 -0.009 0.000 0.955 251 R CB -1.121 29.178 30.300 -0.001 0.000 0.851 251 R HN 0.685 nan 8.270 nan 0.000 0.432 252 K N -0.941 119.466 120.400 0.012 0.000 2.097 252 K HA -0.155 4.214 4.320 0.082 0.000 0.206 252 K C 2.121 178.753 176.600 0.054 0.000 1.049 252 K CA 1.601 57.919 56.287 0.051 0.000 0.933 252 K CB -0.368 32.212 32.500 0.134 0.000 0.717 252 K HN 0.531 nan 8.250 nan 0.000 0.442 253 Y N 1.664 121.897 120.300 -0.111 0.000 2.114 253 Y HA -0.256 4.344 4.550 0.082 0.000 0.284 253 Y C 2.254 178.149 175.900 -0.010 0.000 1.143 253 Y CA 1.403 59.469 58.100 -0.055 0.000 1.135 253 Y CB -0.625 37.794 38.460 -0.070 0.000 0.980 253 Y HN 0.040 nan 8.280 nan 0.000 0.499 254 A N -0.075 122.675 122.820 -0.117 0.000 1.940 254 A HA -0.197 4.173 4.320 0.082 0.000 0.219 254 A C 1.657 179.154 177.584 -0.146 0.000 1.176 254 A CA 2.073 54.003 52.037 -0.178 0.000 0.631 254 A CB -0.746 18.223 19.000 -0.052 0.000 0.814 254 A HN 0.557 nan 8.150 nan 0.000 0.446 255 D N -1.330 119.023 120.400 -0.079 0.000 2.340 255 D HA 0.284 4.973 4.640 0.082 0.000 0.220 255 D C 1.237 177.510 176.300 -0.044 0.000 1.039 255 D CA 1.027 54.999 54.000 -0.046 0.000 0.866 255 D CB -0.090 40.703 40.800 -0.010 0.000 0.913 255 D HN 0.605 nan 8.370 nan 0.000 0.523 256 G N 1.407 110.162 108.800 -0.075 0.000 2.182 256 G HA2 -0.300 3.709 3.960 0.082 0.000 0.248 256 G HA3 -0.300 3.709 3.960 0.082 0.000 0.248 256 G C 0.343 175.256 174.900 0.022 0.000 1.042 256 G CA -0.171 44.902 45.100 -0.045 0.000 0.775 256 G HN 0.409 nan 8.290 nan 0.000 0.501 257 E N -0.785 119.447 120.200 0.054 0.000 2.685 257 E HA 0.376 4.775 4.350 0.082 0.000 0.208 257 E C -0.068 176.632 176.600 0.167 0.000 0.996 257 E CA -0.155 56.304 56.400 0.098 0.000 1.054 257 E CB 1.334 31.091 29.700 0.094 0.000 1.075 257 E HN 0.277 nan 8.360 nan 0.000 0.460 258 V N 1.341 121.365 119.914 0.183 0.000 2.577 258 V HA 0.108 4.277 4.120 0.082 0.000 0.303 258 V C -0.526 175.721 176.094 0.255 0.000 1.042 258 V CA -1.040 61.415 62.300 0.258 0.000 0.872 258 V CB 2.071 34.042 31.823 0.245 0.000 0.998 258 V HN 0.070 nan 8.190 nan 0.000 0.423 259 D N 3.976 124.523 120.400 0.245 0.000 2.383 259 D HA 0.224 4.913 4.640 0.082 0.000 0.245 259 D C -0.298 176.168 176.300 0.277 0.000 1.263 259 D CA 0.359 54.480 54.000 0.200 0.000 0.936 259 D CB 0.936 41.813 40.800 0.127 0.000 1.053 259 D HN 0.220 nan 8.370 nan 0.000 0.507 260 V N 4.184 124.272 119.914 0.289 0.000 2.567 260 V HA 0.268 4.437 4.120 0.082 0.000 0.289 260 V C 0.192 176.435 176.094 0.247 0.000 1.049 260 V CA -0.713 61.791 62.300 0.340 0.000 0.969 260 V CB 1.908 33.903 31.823 0.287 0.000 0.995 260 V HN 0.296 nan 8.190 nan 0.000 0.471 261 V N 5.817 125.889 119.914 0.264 0.000 2.334 261 V HA 0.309 4.478 4.120 0.082 0.000 0.281 261 V C -0.068 176.093 176.094 0.113 0.000 1.016 261 V CA -0.598 61.832 62.300 0.217 0.000 0.832 261 V CB 1.627 33.659 31.823 0.348 0.000 0.999 261 V HN 0.587 nan 8.190 nan 0.000 0.439 262 V N 7.045 127.016 119.914 0.095 0.000 2.427 262 V HA 0.267 4.436 4.120 0.082 0.000 0.268 262 V C 0.579 176.706 176.094 0.056 0.000 1.046 262 V CA -0.115 62.209 62.300 0.040 0.000 0.970 262 V CB 0.882 32.739 31.823 0.057 0.000 1.001 262 V HN 0.623 nan 8.190 nan 0.000 0.476 279 P HA 0.610 nan 4.420 nan 0.000 0.272 279 P C -2.368 174.948 177.300 0.026 0.000 1.240 279 P CA -0.896 62.217 63.100 0.023 0.000 0.791 279 P CB -0.297 31.422 31.700 0.033 0.000 0.978 280 P HA 0.114 nan 4.420 nan 0.000 0.272 280 P C -0.167 177.153 177.300 0.034 0.000 1.230 280 P CA -0.546 62.564 63.100 0.017 0.000 0.788 280 P CB 0.165 31.871 31.700 0.011 0.000 0.949 281 L N 2.249 123.474 121.223 0.005 0.000 2.483 281 L HA 0.025 4.414 4.340 0.082 0.000 0.276 281 L C 1.373 178.227 176.870 -0.028 0.000 1.213 281 L CA 0.227 55.056 54.840 -0.019 0.000 0.843 281 L CB -0.620 41.374 42.059 -0.109 0.000 1.107 281 L HN 0.449 nan 8.230 nan 0.000 0.487 282 F N 0.051 119.999 119.950 -0.004 0.000 2.269 282 F HA -0.108 4.469 4.527 0.082 0.000 0.301 282 F C 1.910 177.697 175.800 -0.021 0.000 1.082 282 F CA 0.978 58.952 58.000 -0.044 0.000 1.360 282 F CB -1.192 37.694 39.000 -0.189 0.000 1.041 282 F HN 0.525 nan 8.300 nan 0.000 0.512 283 S N -0.955 114.346 115.700 -0.666 0.000 2.603 283 S HA 0.105 4.624 4.470 0.082 0.000 0.220 283 S C 0.842 175.451 174.600 0.015 0.000 0.967 283 S CA -0.049 57.976 58.200 -0.291 0.000 0.920 283 S CB -0.740 62.232 63.200 -0.380 0.000 0.773 283 S HN 0.399 nan 8.310 nan 0.000 0.529 284 S N 0.247 115.932 115.700 -0.025 0.000 2.616 284 S HA 0.374 4.893 4.470 0.082 0.000 0.277 284 S C 0.409 175.033 174.600 0.040 0.000 1.234 284 S CA -0.473 57.761 58.200 0.058 0.000 1.028 284 S CB 0.542 63.752 63.200 0.017 0.000 0.988 284 S HN 0.452 nan 8.310 nan 0.000 0.522 285 H N 1.563 120.628 119.070 -0.008 0.000 2.547 285 H HA 0.281 4.886 4.556 0.082 0.000 0.266 285 H C 0.253 175.557 175.328 -0.040 0.000 0.988 285 H CA 0.343 56.368 56.048 -0.037 0.000 1.147 285 H CB 0.121 29.853 29.762 -0.050 0.000 1.365 285 H HN 0.445 nan 8.280 nan 0.000 0.589 286 K N 1.967 122.409 120.400 0.070 0.000 2.448 286 K HA 0.045 4.414 4.320 0.082 0.000 0.278 286 K C -2.397 174.199 176.600 -0.007 0.000 1.009 286 K CA -1.473 54.827 56.287 0.021 0.000 0.995 286 K CB 0.204 32.708 32.500 0.007 0.000 0.917 286 K HN 0.061 nan 8.250 nan 0.000 0.481 287 P HA -0.007 nan 4.420 nan 0.000 0.266 287 P C -0.789 176.476 177.300 -0.059 0.000 1.195 287 P CA 0.163 63.229 63.100 -0.057 0.000 0.768 287 P CB 0.634 32.295 31.700 -0.066 0.000 0.838 288 R N 1.024 121.474 120.500 -0.083 0.000 2.733 288 R HA 0.737 5.126 4.340 0.082 0.000 0.272 288 R C -0.321 175.907 176.300 -0.119 0.000 1.029 288 R CA -0.338 55.716 56.100 -0.076 0.000 0.888 288 R CB 0.442 30.721 30.300 -0.036 0.000 1.251 288 R HN 0.710 nan 8.270 nan 0.000 0.464 289 G N 0.569 109.308 108.800 -0.101 0.000 2.795 289 G HA2 -0.091 3.918 3.960 0.082 0.000 0.664 289 G HA3 -0.091 3.918 3.960 0.082 0.000 0.664 289 G C -1.681 173.113 174.900 -0.177 0.000 1.381 289 G CA -0.158 44.868 45.100 -0.122 0.000 0.853 289 G HN 0.737 nan 8.290 nan 0.000 0.545 290 D N -0.319 119.985 120.400 -0.160 0.000 2.896 290 D HA 0.510 5.199 4.640 0.082 0.000 0.241 290 D C -0.167 176.077 176.300 -0.093 0.000 1.188 290 D CA -0.367 53.546 54.000 -0.146 0.000 0.879 290 D CB 1.262 42.037 40.800 -0.042 0.000 1.553 290 D HN 0.171 nan 8.370 nan 0.000 0.515 291 F N 1.548 121.481 119.950 -0.028 0.000 2.496 291 F HA 0.179 4.756 4.527 0.082 0.000 0.344 291 F C -0.820 174.963 175.800 -0.029 0.000 1.155 291 F CA -1.738 56.242 58.000 -0.034 0.000 1.302 291 F CB -0.150 38.819 39.000 -0.052 0.000 1.159 291 F HN 0.218 nan 8.300 nan 0.000 0.595 292 P HA -0.071 nan 4.420 nan 0.000 0.220 292 P C -0.247 177.093 177.300 0.067 0.000 1.148 292 P CA 1.182 64.336 63.100 0.089 0.000 0.803 292 P CB 0.246 31.977 31.700 0.052 0.000 0.782 293 S N 0.191 115.928 115.700 0.063 0.000 2.150 293 S HA 0.348 4.867 4.470 0.082 0.000 0.171 293 S C -2.462 172.150 174.600 0.020 0.000 1.620 293 S CA -1.030 57.179 58.200 0.016 0.000 1.190 293 S CB 0.189 63.368 63.200 -0.035 0.000 1.102 293 S HN 0.040 nan 8.310 nan 0.000 0.464 294 P HA 0.201 nan 4.420 nan 0.000 0.267 294 P C -0.657 176.444 177.300 -0.331 0.000 1.200 294 P CA -0.050 63.003 63.100 -0.079 0.000 0.772 294 P CB 0.461 32.089 31.700 -0.121 0.000 0.855 295 I N 2.936 123.320 120.570 -0.310 0.000 2.406 295 I HA 0.214 4.433 4.170 0.082 0.000 0.290 295 I C 0.922 176.844 176.117 -0.324 0.000 0.999 295 I CA -0.528 60.604 61.300 -0.281 0.000 1.124 295 I CB 1.493 39.450 38.000 -0.072 0.000 1.289 295 I HN 0.468 nan 8.210 nan 0.000 0.441 296 H N 5.177 124.265 119.070 0.030 0.000 2.893 296 H HA 0.255 4.860 4.556 0.082 0.000 0.270 296 H C -0.004 175.327 175.328 0.005 0.000 1.095 296 H CA 0.218 56.275 56.048 0.015 0.000 1.186 296 H CB 0.831 30.599 29.762 0.010 0.000 1.562 296 H HN 0.409 nan 8.280 nan 0.000 0.536 297 V N -1.381 118.579 119.914 0.077 0.000 3.074 297 V HA 0.611 4.781 4.120 0.082 0.000 0.314 297 V C 0.319 176.423 176.094 0.017 0.000 1.117 297 V CA -1.085 61.243 62.300 0.046 0.000 1.014 297 V CB 2.142 33.989 31.823 0.040 0.000 1.057 297 V HN 0.035 nan 8.190 nan 0.000 0.438 298 S N 1.338 117.043 115.700 0.008 0.000 2.572 298 S HA 0.545 5.064 4.470 0.082 0.000 0.279 298 S C 0.601 175.198 174.600 -0.006 0.000 1.341 298 S CA 0.243 58.440 58.200 -0.005 0.000 1.043 298 S CB 0.922 64.117 63.200 -0.008 0.000 0.887 298 S HN 1.436 nan 8.310 nan 0.000 0.516 299 G N 1.554 110.347 108.800 -0.012 0.000 2.588 299 G HA2 0.530 4.539 3.960 0.082 0.000 0.281 299 G HA3 0.530 4.539 3.960 0.082 0.000 0.281 299 G C -2.593 172.302 174.900 -0.010 0.000 1.236 299 G CA -1.327 43.766 45.100 -0.013 0.000 0.969 299 G HN 0.484 nan 8.290 nan 0.000 0.504 300 P HA 0.291 nan 4.420 nan 0.000 0.269 300 P C -0.380 176.918 177.300 -0.003 0.000 1.215 300 P CA -0.088 63.010 63.100 -0.003 0.000 0.780 300 P CB 0.679 32.377 31.700 -0.002 0.000 0.898 301 R N 0.757 121.259 120.500 0.003 0.000 2.808 301 R HA 0.652 5.041 4.340 0.082 0.000 0.272 301 R C -1.085 175.222 176.300 0.012 0.000 0.995 301 R CA -1.169 54.933 56.100 0.004 0.000 0.917 301 R CB 0.395 30.699 30.300 0.005 0.000 1.217 301 R HN 0.062 nan 8.270 nan 0.000 0.471 302 L N 1.756 122.987 121.223 0.014 0.000 2.439 302 L HA 0.323 4.713 4.340 0.082 0.000 0.269 302 L C -0.157 176.729 176.870 0.026 0.000 1.179 302 L CA 0.104 54.959 54.840 0.026 0.000 0.828 302 L CB 1.580 43.657 42.059 0.031 0.000 1.106 302 L HN 0.609 nan 8.230 nan 0.000 0.467 303 V N 1.066 120.997 119.914 0.029 0.000 2.823 303 V HA 0.630 4.799 4.120 0.082 0.000 0.312 303 V C -0.587 175.518 176.094 0.019 0.000 1.072 303 V CA -0.731 61.579 62.300 0.016 0.000 0.937 303 V CB 1.767 33.590 31.823 0.001 0.000 1.013 303 V HN 0.784 nan 8.190 nan 0.000 0.430 304 Q N 3.019 122.820 119.800 0.003 0.000 3.230 304 Q HA 0.386 4.775 4.340 0.082 0.000 0.303 304 Q C -1.971 173.989 176.000 -0.067 0.000 0.884 304 Q CA -1.448 54.357 55.803 0.004 0.000 0.859 304 Q CB 1.785 30.550 28.738 0.046 0.000 1.432 304 Q HN 0.790 nan 8.270 nan 0.000 0.403 305 P HA -0.150 nan 4.420 nan 0.000 0.222 305 P C 0.274 177.361 177.300 -0.355 0.000 1.147 305 P CA 1.100 64.014 63.100 -0.311 0.000 0.790 305 P CB 0.273 31.705 31.700 -0.447 0.000 0.780 306 H N -0.742 118.344 119.070 0.027 0.000 2.549 306 H HA 0.368 4.973 4.556 0.082 0.000 0.279 306 H C 1.415 176.745 175.328 0.003 0.000 1.018 306 H CA 0.650 56.709 56.048 0.019 0.000 1.175 306 H CB -0.052 29.727 29.762 0.028 0.000 1.485 306 H HN 0.178 nan 8.280 nan 0.000 0.543 307 G N 1.871 110.702 108.800 0.052 0.000 2.828 307 G HA2 -0.210 3.799 3.960 0.082 0.000 0.463 307 G HA3 -0.210 3.799 3.960 0.082 0.000 0.463 307 G C -2.679 172.200 174.900 -0.035 0.000 1.394 307 G CA -1.140 43.960 45.100 0.000 0.000 0.862 307 G HN 0.103 nan 8.290 nan 0.000 0.540 308 P HA 0.279 nan 4.420 nan 0.000 0.268 308 P C 0.603 177.736 177.300 -0.279 0.000 1.205 308 P CA -0.002 62.859 63.100 -0.399 0.000 0.771 308 P CB 0.393 31.498 31.700 -0.991 0.000 0.858 309 R N 1.817 122.260 120.500 -0.094 0.000 2.359 309 R HA 0.194 4.583 4.340 0.082 0.000 0.231 309 R C 0.359 176.803 176.300 0.241 0.000 0.913 309 R CA 0.076 56.236 56.100 0.101 0.000 1.075 309 R CB -0.280 30.166 30.300 0.243 0.000 1.087 309 R HN 0.514 nan 8.270 nan 0.000 0.515 310 F N -0.983 119.076 119.950 0.183 0.000 2.483 310 F HA 0.722 5.298 4.527 0.082 0.000 0.329 310 F C 0.260 176.098 175.800 0.062 0.000 1.064 310 F CA -1.519 56.575 58.000 0.155 0.000 0.986 310 F CB 0.542 39.561 39.000 0.031 0.000 1.218 310 F HN -0.309 nan 8.300 nan 0.000 0.484 311 R N 2.037 122.646 120.500 0.180 0.000 2.338 311 R HA 0.761 5.150 4.340 0.082 0.000 0.317 311 R C -1.992 174.397 176.300 0.149 0.000 0.968 311 R CA -0.829 55.316 56.100 0.074 0.000 0.849 311 R CB 1.048 31.369 30.300 0.035 0.000 1.128 311 R HN 0.924 nan 8.270 nan 0.000 0.448 312 L N 1.199 122.511 121.223 0.148 0.000 2.325 312 L HA 0.778 5.167 4.340 0.082 0.000 0.281 312 L C 0.069 176.994 176.870 0.092 0.000 1.004 312 L CA -0.364 54.572 54.840 0.160 0.000 0.823 312 L CB 1.974 44.189 42.059 0.260 0.000 1.236 312 L HN 0.914 nan 8.230 nan 0.000 0.415 313 E N 3.623 123.857 120.200 0.057 0.000 2.279 313 E HA 0.623 5.022 4.350 0.082 0.000 0.252 313 E C 0.496 177.108 176.600 0.020 0.000 0.894 313 E CA -0.191 56.230 56.400 0.035 0.000 0.785 313 E CB 0.660 30.368 29.700 0.014 0.000 1.237 313 E HN 1.589 nan 8.360 nan 0.000 0.418 314 G N 2.490 111.309 108.800 0.033 0.000 2.602 314 G HA2 -0.381 3.628 3.960 0.082 0.000 0.310 314 G HA3 -0.381 3.628 3.960 0.082 0.000 0.310 314 G C 0.887 175.747 174.900 -0.067 0.000 1.183 314 G CA 0.868 45.969 45.100 0.001 0.000 0.979 314 G HN 1.564 nan 8.290 nan 0.000 0.545 315 N N 1.923 120.485 118.700 -0.230 0.000 2.238 315 N HA 0.550 5.339 4.740 0.082 0.000 0.222 315 N C 0.280 175.512 175.510 -0.463 0.000 1.133 315 N CA 1.021 53.651 53.050 -0.700 0.000 0.854 315 N CB 0.483 38.492 38.487 -0.796 0.000 1.041 315 N HN 1.306 nan 8.380 nan 0.000 0.510 316 A N 0.366 123.086 122.820 -0.166 0.000 2.304 316 A HA 0.666 5.035 4.320 0.082 0.000 0.323 316 A C -0.614 176.886 177.584 -0.140 0.000 1.195 316 A CA -0.561 51.398 52.037 -0.129 0.000 0.826 316 A CB 1.375 20.331 19.000 -0.073 0.000 1.184 316 A HN 0.050 nan 8.150 nan 0.000 0.496 317 V N 3.506 123.195 119.914 -0.375 0.000 2.604 317 V HA 0.489 4.658 4.120 0.082 0.000 0.305 317 V C -0.416 175.442 176.094 -0.394 0.000 1.043 317 V CA -0.355 61.656 62.300 -0.482 0.000 0.888 317 V CB 1.478 32.651 31.823 -1.083 0.000 0.995 317 V HN 0.777 nan 8.190 nan 0.000 0.429 318 L N 4.774 125.928 121.223 -0.114 0.000 2.341 318 L HA 0.638 5.028 4.340 0.082 0.000 0.278 318 L C -1.365 175.626 176.870 0.201 0.000 1.005 318 L CA -0.748 54.100 54.840 0.013 0.000 0.818 318 L CB 1.813 43.881 42.059 0.016 0.000 1.259 318 L HN 0.713 nan 8.230 nan 0.000 0.418 319 Y N 2.589 122.947 120.300 0.096 0.000 2.287 319 Y HA 0.524 5.123 4.550 0.082 0.000 0.325 319 Y C 0.430 176.455 175.900 0.207 0.000 1.139 319 Y CA -0.003 58.207 58.100 0.184 0.000 1.167 319 Y CB 1.225 39.807 38.460 0.204 0.000 1.158 319 Y HN 0.797 nan 8.280 nan 0.000 0.434 320 G N 3.700 112.368 108.800 -0.221 0.000 2.629 320 G HA2 -0.404 3.605 3.960 0.082 0.000 0.313 320 G HA3 -0.404 3.605 3.960 0.082 0.000 0.313 320 G C 1.221 175.932 174.900 -0.316 0.000 1.217 320 G CA 0.557 45.476 45.100 -0.301 0.000 0.994 320 G HN 1.644 nan 8.290 nan 0.000 0.549 321 G N -0.533 107.906 108.800 -0.601 0.000 2.534 321 G HA2 0.241 4.250 3.960 0.082 0.000 0.217 321 G HA3 0.241 4.250 3.960 0.082 0.000 0.217 321 G C 0.589 174.864 174.900 -1.042 0.000 1.128 321 G CA 0.662 45.014 45.100 -1.246 0.000 0.784 321 G HN 0.491 nan 8.290 nan 0.000 0.542 322 W N 0.972 122.056 121.300 -0.360 0.000 2.316 322 W HA 0.544 5.253 4.660 0.082 0.000 0.321 322 W C 0.364 176.889 176.519 0.010 0.000 1.203 322 W CA -0.638 56.708 57.345 0.001 0.000 1.214 322 W CB 1.381 30.989 29.460 0.246 0.000 1.169 322 W HN 0.053 nan 8.180 nan 0.000 0.561 323 S N 3.275 119.192 115.700 0.363 0.000 2.575 323 S HA 0.858 5.377 4.470 0.082 0.000 0.278 323 S C -1.125 173.655 174.600 0.299 0.000 1.139 323 S CA -0.856 57.442 58.200 0.163 0.000 0.954 323 S CB 0.903 64.115 63.200 0.019 0.000 1.054 323 S HN 0.567 nan 8.310 nan 0.000 0.483 324 F N -0.232 119.729 119.950 0.018 0.000 2.741 324 F HA 0.963 5.539 4.527 0.081 0.000 0.313 324 F C -0.726 175.061 175.800 -0.023 0.000 1.153 324 F CA -1.160 56.829 58.000 -0.019 0.000 0.931 324 F CB 0.805 39.748 39.000 -0.096 0.000 1.335 324 F HN 0.848 nan 8.300 nan 0.000 0.460 325 A N 1.106 124.009 122.820 0.138 0.000 2.350 325 A HA 0.943 5.312 4.320 0.082 0.000 0.318 325 A C -1.486 176.218 177.584 0.199 0.000 1.132 325 A CA -0.695 51.360 52.037 0.031 0.000 0.811 325 A CB 1.175 20.163 19.000 -0.020 0.000 1.313 325 A HN 1.236 nan 8.150 nan 0.000 0.454 326 F N -0.756 119.242 119.950 0.080 0.000 2.643 326 F HA 0.915 5.491 4.527 0.081 0.000 0.314 326 F C -0.398 175.450 175.800 0.080 0.000 1.096 326 F CA -1.027 57.021 58.000 0.081 0.000 0.953 326 F CB 1.577 40.673 39.000 0.160 0.000 1.345 326 F HN 0.880 nan 8.300 nan 0.000 0.468 327 R N 1.487 122.155 120.500 0.280 0.000 2.710 327 R HA 0.774 5.163 4.340 0.082 0.000 0.270 327 R C -2.542 173.905 176.300 0.246 0.000 1.021 327 R CA -1.113 55.113 56.100 0.210 0.000 0.889 327 R CB 1.920 32.295 30.300 0.125 0.000 1.243 327 R HN 0.843 nan 8.270 nan 0.000 0.464 328 L N 2.030 123.378 121.223 0.208 0.000 2.337 328 L HA 0.473 4.862 4.340 0.082 0.000 0.269 328 L C -0.527 176.427 176.870 0.140 0.000 1.018 328 L CA -0.585 54.354 54.840 0.165 0.000 0.876 328 L CB 1.108 43.276 42.059 0.182 0.000 1.236 328 L HN 0.732 nan 8.230 nan 0.000 0.436 329 R N 2.298 122.853 120.500 0.091 0.000 2.296 329 R HA 0.208 4.597 4.340 0.082 0.000 0.323 329 R C 0.925 177.251 176.300 0.043 0.000 1.067 329 R CA 0.294 56.446 56.100 0.086 0.000 0.946 329 R CB 0.855 31.197 30.300 0.070 0.000 0.991 329 R HN 0.811 nan 8.270 nan 0.000 0.448 330 S N 1.661 117.408 115.700 0.079 0.000 2.383 330 S HA -0.205 4.314 4.470 0.082 0.000 0.229 330 S C 1.777 176.312 174.600 -0.109 0.000 1.030 330 S CA 1.777 59.950 58.200 -0.045 0.000 1.002 330 S CB -0.069 63.189 63.200 0.097 0.000 0.829 330 S HN 0.854 nan 8.310 nan 0.000 0.467 331 S N 1.674 117.386 115.700 0.020 0.000 2.357 331 S HA -0.034 4.485 4.470 0.082 0.000 0.221 331 S C 1.837 176.421 174.600 -0.027 0.000 1.031 331 S CA 1.167 59.392 58.200 0.041 0.000 0.982 331 S CB -0.383 62.890 63.200 0.122 0.000 0.853 331 S HN 0.596 nan 8.310 nan 0.000 0.458 332 S N -0.082 115.596 115.700 -0.038 0.000 2.578 332 S HA 0.606 5.125 4.470 0.082 0.000 0.228 332 S C 1.016 175.508 174.600 -0.180 0.000 1.022 332 S CA 0.224 58.376 58.200 -0.080 0.000 0.967 332 S CB 0.177 63.356 63.200 -0.035 0.000 0.914 332 S HN 1.458 nan 8.310 nan 0.000 0.515 333 G N 1.321 110.019 108.800 -0.170 0.000 2.500 333 G HA2 0.024 4.033 3.960 0.082 0.000 0.209 333 G HA3 0.024 4.033 3.960 0.082 0.000 0.209 333 G C -0.942 173.874 174.900 -0.140 0.000 1.283 333 G CA -0.511 44.435 45.100 -0.256 0.000 0.960 333 G HN 0.712 nan 8.290 nan 0.000 0.528 334 L N 1.043 122.166 121.223 -0.166 0.000 2.426 334 L HA 0.605 4.994 4.340 0.082 0.000 0.271 334 L C 0.631 177.637 176.870 0.228 0.000 1.169 334 L CA 0.644 55.531 54.840 0.078 0.000 0.836 334 L CB 0.658 42.788 42.059 0.118 0.000 1.112 334 L HN 0.687 nan 8.230 nan 0.000 0.465 335 Q N 3.807 123.738 119.800 0.218 0.000 2.379 335 Q HA 0.655 5.044 4.340 0.082 0.000 0.278 335 Q C -1.449 174.517 176.000 -0.058 0.000 1.068 335 Q CA -0.993 54.847 55.803 0.061 0.000 0.816 335 Q CB 2.590 31.339 28.738 0.018 0.000 1.387 335 Q HN 0.550 nan 8.270 nan 0.000 0.413 336 V N -0.483 119.201 119.914 -0.383 0.000 2.628 336 V HA 0.815 4.984 4.120 0.082 0.000 0.306 336 V C -0.939 174.949 176.094 -0.343 0.000 1.045 336 V CA -0.754 61.357 62.300 -0.315 0.000 0.905 336 V CB 1.378 32.882 31.823 -0.533 0.000 0.997 336 V HN 0.651 nan 8.190 nan 0.000 0.436 337 L N 2.543 123.561 121.223 -0.342 0.000 2.393 337 L HA 0.645 5.034 4.340 0.082 0.000 0.260 337 L C 0.349 176.890 176.870 -0.549 0.000 1.002 337 L CA -0.671 53.773 54.840 -0.659 0.000 0.818 337 L CB 1.816 43.138 42.059 -1.227 0.000 1.369 337 L HN 0.881 nan 8.230 nan 0.000 0.412 338 N N 0.562 118.939 118.700 -0.538 0.000 2.725 338 N HA -0.162 4.627 4.740 0.082 0.000 0.251 338 N C -0.932 174.684 175.510 0.177 0.000 1.031 338 N CA 0.373 53.353 53.050 -0.117 0.000 0.720 338 N CB -0.562 37.906 38.487 -0.031 0.000 0.930 338 N HN 0.338 nan 8.380 nan 0.000 0.543 339 V N 1.777 121.749 119.914 0.096 0.000 2.470 339 V HA 0.181 4.350 4.120 0.082 0.000 0.276 339 V C 0.603 176.849 176.094 0.253 0.000 1.040 339 V CA 0.070 62.518 62.300 0.247 0.000 1.008 339 V CB 0.652 32.562 31.823 0.146 0.000 0.990 339 V HN 0.350 nan 8.190 nan 0.000 0.477 340 H N 3.745 122.982 119.070 0.278 0.000 2.622 340 H HA 0.671 5.276 4.556 0.082 0.000 0.363 340 H C -1.055 174.434 175.328 0.267 0.000 1.151 340 H CA -0.601 55.582 56.048 0.224 0.000 1.184 340 H CB 1.905 31.758 29.762 0.152 0.000 1.643 340 H HN 0.586 nan 8.280 nan 0.000 0.531 341 F N 0.419 120.439 119.950 0.116 0.000 2.561 341 F HA 0.444 5.020 4.527 0.082 0.000 0.313 341 F C 0.749 176.644 175.800 0.159 0.000 1.126 341 F CA 0.093 58.047 58.000 -0.076 0.000 0.918 341 F CB 1.582 40.335 39.000 -0.413 0.000 1.199 341 F HN 0.771 nan 8.300 nan 0.000 0.444 342 G N 3.197 111.910 108.800 -0.145 0.000 2.249 342 G HA2 0.005 4.014 3.960 0.082 0.000 0.273 342 G HA3 0.005 4.014 3.960 0.082 0.000 0.273 342 G C 1.009 176.017 174.900 0.180 0.000 1.036 342 G CA 0.588 45.753 45.100 0.109 0.000 0.824 342 G HN 2.225 nan 8.290 nan 0.000 0.504 343 G N -1.644 107.244 108.800 0.145 0.000 2.155 343 G HA2 -0.234 3.775 3.960 0.082 0.000 0.257 343 G HA3 -0.234 3.775 3.960 0.082 0.000 0.257 343 G C 0.038 175.145 174.900 0.344 0.000 0.983 343 G CA 1.105 46.321 45.100 0.194 0.000 0.676 343 G HN 1.071 nan 8.290 nan 0.000 0.528 344 E N -0.591 119.829 120.200 0.366 0.000 2.238 344 E HA 0.466 4.865 4.350 0.082 0.000 0.267 344 E C 0.272 176.874 176.600 0.003 0.000 0.887 344 E CA -1.040 55.519 56.400 0.265 0.000 0.769 344 E CB 1.643 31.524 29.700 0.302 0.000 1.187 344 E HN 0.299 nan 8.360 nan 0.000 0.416 345 R N 2.903 123.211 120.500 -0.321 0.000 2.491 345 R HA 0.121 4.510 4.340 0.082 0.000 0.283 345 R C 0.904 177.069 176.300 -0.226 0.000 1.072 345 R CA 0.321 56.050 56.100 -0.619 0.000 1.048 345 R CB 0.343 30.378 30.300 -0.442 0.000 0.983 345 R HN 0.727 nan 8.270 nan 0.000 0.450 346 I N 0.352 120.765 120.570 -0.261 0.000 3.971 346 I HA 0.455 4.674 4.170 0.082 0.000 0.303 346 I C -0.053 175.906 176.117 -0.264 0.000 1.233 346 I CA -0.138 60.948 61.300 -0.357 0.000 1.346 346 I CB 0.838 38.418 38.000 -0.700 0.000 1.273 346 I HN 0.442 nan 8.210 nan 0.000 0.448 347 A N -0.205 122.513 122.820 -0.171 0.000 2.437 347 A HA 0.422 4.791 4.320 0.082 0.000 0.293 347 A C -0.522 177.026 177.584 -0.061 0.000 1.038 347 A CA -0.542 51.421 52.037 -0.124 0.000 0.708 347 A CB 0.592 19.497 19.000 -0.158 0.000 1.251 347 A HN 0.324 nan 8.150 nan 0.000 0.409 348 Y N 1.724 121.948 120.300 -0.127 0.000 2.263 348 Y HA 0.137 4.736 4.550 0.082 0.000 0.292 348 Y C 0.766 176.585 175.900 -0.135 0.000 1.130 348 Y CA 2.357 60.401 58.100 -0.095 0.000 1.179 348 Y CB 0.376 38.799 38.460 -0.061 0.000 0.998 348 Y HN 0.692 nan 8.280 nan 0.000 0.532 349 E N 0.012 120.137 120.200 -0.125 0.000 2.321 349 E HA 0.473 4.872 4.350 0.082 0.000 0.281 349 E C -2.121 174.372 176.600 -0.178 0.000 0.910 349 E CA -0.629 55.648 56.400 -0.205 0.000 0.770 349 E CB 1.920 31.580 29.700 -0.066 0.000 1.225 349 E HN -0.149 nan 8.360 nan 0.000 0.417 350 V N 3.328 123.100 119.914 -0.236 0.000 2.443 350 V HA 0.508 4.677 4.120 0.082 0.000 0.293 350 V C -0.626 175.403 176.094 -0.108 0.000 1.021 350 V CA -0.569 61.622 62.300 -0.182 0.000 0.848 350 V CB 1.244 32.898 31.823 -0.282 0.000 0.998 350 V HN 0.687 nan 8.190 nan 0.000 0.424 351 S N 3.137 118.902 115.700 0.108 0.000 2.540 351 S HA 0.732 5.251 4.470 0.082 0.000 0.275 351 S C -0.779 173.935 174.600 0.191 0.000 1.123 351 S CA -0.861 57.436 58.200 0.161 0.000 0.907 351 S CB 1.794 65.016 63.200 0.037 0.000 1.081 351 S HN 0.355 nan 8.310 nan 0.000 0.476 352 V N 3.414 123.351 119.914 0.038 0.000 2.585 352 V HA 0.131 4.300 4.120 0.082 0.000 0.296 352 V C 0.752 176.694 176.094 -0.252 0.000 1.035 352 V CA 0.321 62.407 62.300 -0.358 0.000 1.084 352 V CB 0.677 32.081 31.823 -0.699 0.000 0.953 352 V HN 0.958 nan 8.190 nan 0.000 0.483 353 Q N 2.227 121.863 119.800 -0.272 0.000 2.471 353 Q HA 0.289 4.678 4.340 0.082 0.000 0.241 353 Q C 0.402 176.296 176.000 -0.177 0.000 0.886 353 Q CA 0.338 56.052 55.803 -0.148 0.000 0.953 353 Q CB 1.171 29.877 28.738 -0.053 0.000 1.108 353 Q HN 0.851 nan 8.270 nan 0.000 0.575 354 E N -0.939 119.120 120.200 -0.235 0.000 2.396 354 E HA 0.624 5.024 4.350 0.082 0.000 0.280 354 E C -2.092 174.524 176.600 0.026 0.000 1.065 354 E CA -0.405 55.938 56.400 -0.095 0.000 0.831 354 E CB 1.642 31.281 29.700 -0.102 0.000 1.272 354 E HN 0.054 nan 8.360 nan 0.000 0.443 355 A N 1.540 124.497 122.820 0.228 0.000 2.408 355 A HA 0.721 5.090 4.320 0.082 0.000 0.295 355 A C -1.169 176.651 177.584 0.395 0.000 1.040 355 A CA -0.135 52.129 52.037 0.378 0.000 0.707 355 A CB 0.898 20.242 19.000 0.574 0.000 1.235 355 A HN 1.130 nan 8.150 nan 0.000 0.418 356 V N -0.953 119.195 119.914 0.390 0.000 2.962 356 V HA 1.010 5.179 4.120 0.082 0.000 0.313 356 V C -0.226 175.984 176.094 0.194 0.000 1.099 356 V CA -0.423 62.060 62.300 0.305 0.000 0.971 356 V CB 1.646 33.633 31.823 0.274 0.000 1.028 356 V HN 2.124 nan 8.190 nan 0.000 0.430 357 A N 4.488 127.393 122.820 0.142 0.000 2.357 357 A HA 0.841 5.210 4.320 0.082 0.000 0.295 357 A C -0.991 176.541 177.584 -0.087 0.000 1.121 357 A CA -0.527 51.464 52.037 -0.077 0.000 0.742 357 A CB 0.956 19.936 19.000 -0.033 0.000 1.181 357 A HN 1.032 nan 8.150 nan 0.000 0.454 358 L N 3.133 124.211 121.223 -0.242 0.000 2.294 358 L HA 0.485 4.874 4.340 0.082 0.000 0.283 358 L C -1.051 175.693 176.870 -0.210 0.000 1.015 358 L CA -0.474 54.291 54.840 -0.125 0.000 0.831 358 L CB 0.741 42.742 42.059 -0.096 0.000 1.217 358 L HN 0.718 nan 8.230 nan 0.000 0.420 359 Y N 1.020 121.323 120.300 0.006 0.000 2.453 359 Y HA 0.712 5.311 4.550 0.082 0.000 0.326 359 Y C 0.912 176.827 175.900 0.026 0.000 1.186 359 Y CA -0.512 57.616 58.100 0.046 0.000 1.200 359 Y CB 1.959 40.441 38.460 0.037 0.000 1.247 359 Y HN 0.527 nan 8.280 nan 0.000 0.482 360 G N -0.730 108.197 108.800 0.213 0.000 2.537 360 G HA2 0.673 4.682 3.960 0.082 0.000 0.323 360 G HA3 0.673 4.682 3.960 0.082 0.000 0.323 360 G C -0.874 174.067 174.900 0.069 0.000 1.207 360 G CA -0.628 44.553 45.100 0.136 0.000 0.976 360 G HN 0.900 nan 8.290 nan 0.000 0.487 361 G N -1.369 107.291 108.800 -0.234 0.000 2.547 361 G HA2 0.458 4.467 3.960 0.082 0.000 0.291 361 G HA3 0.458 4.467 3.960 0.082 0.000 0.291 361 G C 0.191 174.682 174.900 -0.681 0.000 1.471 361 G CA -0.059 44.860 45.100 -0.301 0.000 0.798 361 G HN 0.876 nan 8.290 nan 0.000 0.504 362 H N -1.144 117.635 119.070 -0.484 0.000 2.482 362 H HA 0.092 4.697 4.556 0.082 0.000 0.286 362 H C 1.168 176.267 175.328 -0.381 0.000 1.017 362 H CA 1.200 57.066 56.048 -0.303 0.000 1.322 362 H CB -0.528 29.219 29.762 -0.025 0.000 1.426 362 H HN 0.609 nan 8.280 nan 0.000 0.546 363 T N -1.076 112.880 114.554 -0.998 0.000 2.918 363 T HA 0.229 4.628 4.350 0.082 0.000 0.283 363 T C -1.746 172.313 174.700 -1.068 0.000 1.001 363 T CA -1.902 59.357 62.100 -1.401 0.000 1.041 363 T CB 2.507 70.415 68.868 -1.600 0.000 1.028 363 T HN -0.117 nan 8.240 nan 0.000 0.511 364 P HA -0.034 nan 4.420 nan 0.000 0.216 364 P C 1.600 178.290 177.300 -1.017 0.000 1.150 364 P CA 1.433 63.859 63.100 -1.122 0.000 0.837 364 P CB -0.358 30.342 31.700 -1.667 0.000 0.786 365 A N 0.218 122.489 122.820 -0.914 0.000 1.902 365 A HA -0.067 4.302 4.320 0.082 0.000 0.217 365 A C 2.574 179.989 177.584 -0.281 0.000 1.181 365 A CA 2.107 53.908 52.037 -0.393 0.000 0.623 365 A CB -1.916 16.983 19.000 -0.168 0.000 0.818 365 A HN 0.278 nan 8.150 nan 0.000 0.443 366 G N 0.566 109.138 108.800 -0.381 0.000 2.446 366 G HA2 -0.282 3.727 3.960 0.082 0.000 0.217 366 G HA3 -0.282 3.727 3.960 0.082 0.000 0.217 366 G C 1.679 176.467 174.900 -0.186 0.000 1.168 366 G CA 1.500 46.434 45.100 -0.276 0.000 0.771 366 G HN 0.737 nan 8.290 nan 0.000 0.551 367 M N -0.550 118.896 119.600 -0.257 0.000 2.476 367 M HA 0.219 4.748 4.480 0.082 0.000 0.262 367 M C 2.199 178.459 176.300 -0.067 0.000 1.079 367 M CA 1.748 56.953 55.300 -0.158 0.000 1.104 367 M CB -0.006 32.477 32.600 -0.196 0.000 1.409 367 M HN 0.203 nan 8.290 nan 0.000 0.467 368 Q N 1.716 121.465 119.800 -0.085 0.000 2.311 368 Q HA 0.089 4.478 4.340 0.082 0.000 0.203 368 Q C -0.182 175.809 176.000 -0.014 0.000 0.954 368 Q CA 0.950 56.760 55.803 0.011 0.000 0.885 368 Q CB -0.050 28.736 28.738 0.080 0.000 0.963 368 Q HN 0.498 nan 8.270 nan 0.000 0.471 369 T N 1.927 116.435 114.554 -0.077 0.000 2.738 369 T HA 0.274 4.673 4.350 0.082 0.000 0.293 369 T C -0.574 174.083 174.700 -0.072 0.000 0.913 369 T CA -0.049 61.913 62.100 -0.229 0.000 1.103 369 T CB 0.333 68.929 68.868 -0.453 0.000 0.880 369 T HN 0.055 nan 8.240 nan 0.000 0.526 370 K N 3.506 123.835 120.400 -0.119 0.000 2.626 370 K HA 0.255 4.624 4.320 0.082 0.000 0.223 370 K C -1.284 175.352 176.600 0.059 0.000 0.992 370 K CA -0.646 55.641 56.287 -0.000 0.000 1.024 370 K CB 0.968 33.460 32.500 -0.012 0.000 1.225 370 K HN 0.453 nan 8.250 nan 0.000 0.498 371 Y N 1.969 122.356 120.300 0.145 0.000 2.336 371 Y HA 0.251 4.850 4.550 0.081 0.000 0.335 371 Y C -0.100 175.908 175.900 0.181 0.000 1.046 371 Y CA -0.747 57.439 58.100 0.143 0.000 1.198 371 Y CB 0.695 39.154 38.460 -0.002 0.000 1.182 371 Y HN 0.297 nan 8.280 nan 0.000 0.502 372 L N 4.232 125.727 121.223 0.453 0.000 2.318 372 L HA 0.332 4.721 4.340 0.082 0.000 0.277 372 L C 0.766 177.900 176.870 0.441 0.000 1.008 372 L CA -0.275 54.793 54.840 0.381 0.000 0.846 372 L CB 1.335 43.591 42.059 0.327 0.000 1.220 372 L HN 0.555 nan 8.230 nan 0.000 0.423 373 D N 1.538 122.132 120.400 0.323 0.000 2.178 373 D HA -0.121 4.568 4.640 0.082 0.000 0.201 373 D C 2.020 178.505 176.300 0.309 0.000 0.980 373 D CA 1.014 55.179 54.000 0.275 0.000 0.842 373 D CB 0.399 41.304 40.800 0.175 0.000 0.948 373 D HN 0.313 nan 8.370 nan 0.000 0.472 374 V N 0.866 120.915 119.914 0.226 0.000 2.594 374 V HA -0.150 4.019 4.120 0.082 0.000 0.253 374 V C 2.417 178.622 176.094 0.185 0.000 1.069 374 V CA 1.776 64.162 62.300 0.145 0.000 1.082 374 V CB -0.861 31.008 31.823 0.076 0.000 0.680 374 V HN 0.245 nan 8.190 nan 0.000 0.469 375 G N -1.692 107.255 108.800 0.246 0.000 2.586 375 G HA2 -0.202 3.807 3.960 0.082 0.000 0.215 375 G HA3 -0.202 3.807 3.960 0.082 0.000 0.215 375 G C 0.767 175.664 174.900 -0.004 0.000 1.128 375 G CA 0.173 45.338 45.100 0.108 0.000 0.774 375 G HN 0.695 nan 8.290 nan 0.000 0.543 376 W N -0.823 120.556 121.300 0.131 0.000 2.684 376 W HA 0.472 5.183 4.660 0.085 0.000 0.381 376 W C 1.167 177.615 176.519 -0.120 0.000 0.975 376 W CA -0.673 56.744 57.345 0.120 0.000 1.789 376 W CB 0.086 29.577 29.460 0.052 0.000 1.161 376 W HN 0.249 nan 8.180 nan 0.000 0.564 377 G N 2.108 110.853 108.800 -0.092 0.000 2.368 377 G HA2 -0.314 3.695 3.960 0.082 0.000 0.290 377 G HA3 -0.314 3.695 3.960 0.082 0.000 0.290 377 G C 0.675 175.349 174.900 -0.376 0.000 1.098 377 G CA 0.093 44.794 45.100 -0.665 0.000 1.073 377 G HN 0.271 nan 8.290 nan 0.000 0.511 378 L N 0.658 121.790 121.223 -0.152 0.000 2.043 378 L HA 0.068 4.457 4.340 0.082 0.000 0.212 378 L C 2.464 179.211 176.870 -0.205 0.000 1.075 378 L CA 3.454 58.230 54.840 -0.107 0.000 0.752 378 L CB -0.666 41.360 42.059 -0.054 0.000 0.891 378 L HN 0.632 nan 8.230 nan 0.000 0.432 379 G N -2.752 105.889 108.800 -0.266 0.000 2.985 379 G HA2 -0.013 3.996 3.960 0.082 0.000 0.209 379 G HA3 -0.013 3.996 3.960 0.082 0.000 0.209 379 G C 1.185 175.745 174.900 -0.568 0.000 1.165 379 G CA 0.597 45.520 45.100 -0.295 0.000 0.776 379 G HN 0.457 nan 8.290 nan 0.000 0.541 380 S N -0.339 114.909 115.700 -0.753 0.000 2.559 380 S HA 0.085 4.604 4.470 0.082 0.000 0.226 380 S C 1.151 175.212 174.600 -0.898 0.000 1.000 380 S CA 0.054 57.498 58.200 -1.259 0.000 0.948 380 S CB 0.940 63.543 63.200 -0.994 0.000 0.870 380 S HN 0.385 nan 8.310 nan 0.000 0.497 381 V N 1.175 120.767 119.914 -0.537 0.000 2.955 381 V HA 0.337 4.506 4.120 0.082 0.000 0.379 381 V C 0.404 176.318 176.094 -0.300 0.000 1.288 381 V CA -0.523 61.560 62.300 -0.363 0.000 1.358 381 V CB -0.904 30.862 31.823 -0.095 0.000 1.406 381 V HN 0.344 nan 8.190 nan 0.000 0.569 382 T N -1.180 113.151 114.554 -0.372 0.000 3.766 382 T HA 0.370 4.769 4.350 0.082 0.000 0.327 382 T C 0.236 174.915 174.700 -0.036 0.000 1.595 382 T CA -0.261 61.772 62.100 -0.112 0.000 1.204 382 T CB -0.550 68.297 68.868 -0.035 0.000 1.245 382 T HN 0.573 nan 8.240 nan 0.000 0.875 383 H N 1.230 120.371 119.070 0.118 0.000 2.534 383 H HA 0.300 4.904 4.556 0.081 0.000 0.364 383 H C 0.462 175.854 175.328 0.108 0.000 1.328 383 H CA -0.624 55.483 56.048 0.098 0.000 1.415 383 H CB 0.827 30.601 29.762 0.019 0.000 1.573 383 H HN 0.654 nan 8.280 nan 0.000 0.601 384 E N 1.366 121.696 120.200 0.217 0.000 2.417 384 E HA 0.039 4.438 4.350 0.082 0.000 0.261 384 E C -0.553 176.172 176.600 0.207 0.000 1.000 384 E CA -0.288 56.153 56.400 0.068 0.000 0.919 384 E CB 0.262 29.799 29.700 -0.272 0.000 0.955 384 E HN 0.270 nan 8.360 nan 0.000 0.455 385 L N 3.791 125.123 121.223 0.181 0.000 2.319 385 L HA 0.263 4.652 4.340 0.082 0.000 0.280 385 L C 0.253 177.259 176.870 0.227 0.000 1.099 385 L CA -0.460 54.536 54.840 0.260 0.000 0.828 385 L CB 1.110 43.381 42.059 0.353 0.000 1.150 385 L HN 0.573 nan 8.230 nan 0.000 0.442 386 A N 6.191 129.194 122.820 0.306 0.000 2.302 386 A HA 0.540 4.909 4.320 0.082 0.000 0.295 386 A C -2.324 175.383 177.584 0.204 0.000 1.235 386 A CA -1.482 50.740 52.037 0.308 0.000 0.876 386 A CB -0.218 18.930 19.000 0.246 0.000 1.133 386 A HN 0.389 nan 8.150 nan 0.000 0.533 387 P HA 0.271 nan 4.420 nan 0.000 0.267 387 P C 1.150 178.604 177.300 0.256 0.000 1.205 387 P CA 1.694 64.819 63.100 0.041 0.000 0.765 387 P CB 0.901 32.431 31.700 -0.285 0.000 0.828 388 G N 2.438 111.359 108.800 0.202 0.000 2.253 388 G HA2 -0.291 3.718 3.960 0.082 0.000 0.251 388 G HA3 -0.291 3.718 3.960 0.082 0.000 0.251 388 G C 0.707 175.632 174.900 0.041 0.000 0.998 388 G CA 0.352 45.515 45.100 0.104 0.000 0.621 388 G HN 0.489 nan 8.290 nan 0.000 0.524 389 I N -0.431 120.180 120.570 0.069 0.000 3.393 389 I HA 0.196 4.415 4.170 0.082 0.000 0.250 389 I C 1.948 178.070 176.117 0.008 0.000 1.122 389 I CA 0.546 61.854 61.300 0.013 0.000 1.484 389 I CB -0.200 37.799 38.000 -0.001 0.000 1.468 389 I HN -0.096 nan 8.210 nan 0.000 0.461 390 D N 0.732 121.170 120.400 0.065 0.000 2.162 390 D HA 0.017 4.706 4.640 0.082 0.000 0.203 390 D C 0.374 176.685 176.300 0.019 0.000 0.967 390 D CA 0.982 55.019 54.000 0.061 0.000 0.840 390 D CB 0.215 41.097 40.800 0.136 0.000 0.972 390 D HN 0.283 nan 8.370 nan 0.000 0.482 391 c N -0.076 118.537 118.600 0.022 0.000 2.971 391 c HA 0.462 5.081 4.570 0.082 0.000 0.310 391 c C -2.407 171.518 174.090 -0.273 0.000 1.285 391 c CA -1.790 54.359 56.329 -0.299 0.000 1.593 391 c CB 1.900 44.212 42.510 -0.330 0.000 2.076 391 c HN 0.020 nan 8.230 nan 0.000 0.472 392 P HA 0.127 nan 4.420 nan 0.000 0.268 392 P C 0.161 177.439 177.300 -0.036 0.000 1.208 392 P CA 0.406 63.335 63.100 -0.286 0.000 0.777 392 P CB 0.505 31.985 31.700 -0.367 0.000 0.875 393 E N -0.008 120.222 120.200 0.050 0.000 2.265 393 E HA -0.147 4.252 4.350 0.082 0.000 0.196 393 E C 1.440 178.134 176.600 0.157 0.000 0.996 393 E CA 1.767 58.252 56.400 0.142 0.000 0.832 393 E CB -0.852 28.906 29.700 0.096 0.000 0.756 393 E HN 0.579 nan 8.360 nan 0.000 0.491 394 T N -2.010 112.591 114.554 0.078 0.000 3.129 394 T HA 0.374 4.773 4.350 0.082 0.000 0.251 394 T C 0.883 175.627 174.700 0.073 0.000 1.117 394 T CA 0.100 62.248 62.100 0.079 0.000 1.034 394 T CB 0.035 68.941 68.868 0.063 0.000 0.968 394 T HN 0.136 nan 8.240 nan 0.000 0.526 395 A N 1.656 124.458 122.820 -0.031 0.000 2.386 395 A HA 0.499 4.868 4.320 0.082 0.000 0.248 395 A C 0.530 177.981 177.584 -0.221 0.000 1.082 395 A CA -0.371 51.541 52.037 -0.209 0.000 0.789 395 A CB -0.017 18.574 19.000 -0.681 0.000 1.025 395 A HN 0.344 nan 8.150 nan 0.000 0.490 396 T N 2.540 117.033 114.554 -0.102 0.000 2.729 396 T HA 0.447 4.846 4.350 0.082 0.000 0.296 396 T C -0.671 173.906 174.700 -0.204 0.000 0.928 396 T CA 0.549 62.650 62.100 0.001 0.000 1.045 396 T CB -0.569 68.430 68.868 0.217 0.000 0.902 396 T HN 0.316 nan 8.240 nan 0.000 0.500 397 F N 3.284 123.294 119.950 0.100 0.000 2.404 397 F HA 0.584 5.160 4.527 0.081 0.000 0.339 397 F C -0.067 175.778 175.800 0.075 0.000 1.105 397 F CA -1.139 56.904 58.000 0.072 0.000 1.087 397 F CB 0.969 39.993 39.000 0.040 0.000 1.143 397 F HN 0.240 nan 8.300 nan 0.000 0.491 398 L N 3.207 124.562 121.223 0.219 0.000 2.386 398 L HA 0.462 4.851 4.340 0.082 0.000 0.271 398 L C -0.636 176.313 176.870 0.131 0.000 0.993 398 L CA -0.676 54.267 54.840 0.172 0.000 0.819 398 L CB 1.491 43.649 42.059 0.166 0.000 1.294 398 L HN 0.437 nan 8.230 nan 0.000 0.414 399 D N 0.288 120.750 120.400 0.104 0.000 2.340 399 D HA 0.628 5.317 4.640 0.082 0.000 0.251 399 D C -0.102 176.190 176.300 -0.013 0.000 1.080 399 D CA -0.140 53.853 54.000 -0.012 0.000 0.971 399 D CB 1.945 42.758 40.800 0.022 0.000 1.137 399 D HN 0.457 nan 8.370 nan 0.000 0.475 400 T N -0.502 113.952 114.554 -0.167 0.000 2.812 400 T HA 0.614 5.013 4.350 0.082 0.000 0.294 400 T C -1.627 172.866 174.700 -0.345 0.000 1.159 400 T CA -0.556 61.458 62.100 -0.144 0.000 1.008 400 T CB 0.438 69.198 68.868 -0.180 0.000 1.289 400 T HN 0.124 nan 8.240 nan 0.000 0.514 401 F N 1.899 121.762 119.950 -0.146 0.000 2.508 401 F HA 0.601 5.176 4.527 0.080 0.000 0.325 401 F C 0.440 176.075 175.800 -0.274 0.000 1.090 401 F CA -0.691 57.269 58.000 -0.067 0.000 0.945 401 F CB 1.620 40.662 39.000 0.069 0.000 1.156 401 F HN 0.445 nan 8.300 nan 0.000 0.463 402 H N 1.758 120.985 119.070 0.261 0.000 2.637 402 H HA 0.230 4.835 4.556 0.081 0.000 0.363 402 H C -1.657 173.825 175.328 0.257 0.000 1.131 402 H CA -0.811 55.314 56.048 0.129 0.000 1.183 402 H CB 2.198 31.849 29.762 -0.185 0.000 1.637 402 H HN 0.668 nan 8.280 nan 0.000 0.531 403 Y N 3.555 123.997 120.300 0.237 0.000 2.686 403 Y HA 0.275 4.869 4.550 0.074 0.000 0.331 403 Y C -1.709 174.230 175.900 0.065 0.000 0.996 403 Y CA -0.704 57.468 58.100 0.120 0.000 1.293 403 Y CB 0.362 38.847 38.460 0.042 0.000 1.092 403 Y HN 0.560 nan 8.280 nan 0.000 0.524 404 Y N 5.650 125.752 120.300 -0.330 0.000 2.315 404 Y HA 0.299 4.902 4.550 0.088 0.000 0.324 404 Y C -0.136 175.413 175.900 -0.584 0.000 1.062 404 Y CA -1.155 56.669 58.100 -0.460 0.000 1.159 404 Y CB 0.805 39.084 38.460 -0.302 0.000 1.145 404 Y HN 0.656 nan 8.280 nan 0.000 0.442 405 D N 3.579 123.289 120.400 -1.149 0.000 2.697 405 D HA -0.181 4.508 4.640 0.082 0.000 0.235 405 D C -1.306 174.798 176.300 -0.326 0.000 1.167 405 D CA 1.589 55.162 54.000 -0.711 0.000 0.656 405 D CB -0.832 39.724 40.800 -0.406 0.000 1.025 405 D HN 0.808 nan 8.370 nan 0.000 0.419 406 A N 0.180 122.697 122.820 -0.506 0.000 2.527 406 A HA 0.596 4.965 4.320 0.082 0.000 0.293 406 A C 0.632 178.021 177.584 -0.324 0.000 1.117 406 A CA -0.413 51.418 52.037 -0.342 0.000 0.723 406 A CB 1.350 20.157 19.000 -0.321 0.000 1.313 406 A HN -0.003 nan 8.150 nan 0.000 0.411 407 D N 0.254 120.597 120.400 -0.095 0.000 2.249 407 D HA 0.116 4.805 4.640 0.082 0.000 0.205 407 D C -0.292 176.041 176.300 0.054 0.000 0.962 407 D CA 1.415 55.436 54.000 0.035 0.000 0.860 407 D CB 0.329 41.160 40.800 0.052 0.000 0.955 407 D HN 0.564 nan 8.370 nan 0.000 0.505 408 D N -1.121 119.293 120.400 0.024 0.000 2.583 408 D HA 0.250 4.939 4.640 0.082 0.000 0.248 408 D C -2.693 173.721 176.300 0.189 0.000 1.209 408 D CA -1.433 52.618 54.000 0.085 0.000 0.848 408 D CB 2.328 43.166 40.800 0.063 0.000 1.431 408 D HN -0.246 nan 8.370 nan 0.000 0.436 409 P HA 0.075 nan 4.420 nan 0.000 0.266 409 P C -0.567 176.971 177.300 0.397 0.000 1.195 409 P CA -0.141 63.184 63.100 0.375 0.000 0.768 409 P CB 0.633 32.490 31.700 0.262 0.000 0.838 410 V N 3.595 123.784 119.914 0.460 0.000 2.495 410 V HA 0.193 4.362 4.120 0.082 0.000 0.298 410 V C 0.252 176.557 176.094 0.352 0.000 1.031 410 V CA -0.639 61.895 62.300 0.390 0.000 0.871 410 V CB 1.184 33.234 31.823 0.378 0.000 0.988 410 V HN 0.625 nan 8.190 nan 0.000 0.432 411 H N 4.774 123.818 119.070 -0.043 0.000 2.742 411 H HA 0.268 4.873 4.556 0.081 0.000 0.302 411 H C -1.657 173.504 175.328 -0.278 0.000 1.069 411 H CA -0.119 55.599 56.048 -0.549 0.000 1.446 411 H CB 0.558 30.034 29.762 -0.477 0.000 1.462 411 H HN 0.584 nan 8.280 nan 0.000 0.499 412 Y N 7.055 126.886 120.300 -0.782 0.000 2.478 412 Y HA 0.220 4.817 4.550 0.080 0.000 0.329 412 Y C -1.977 173.530 175.900 -0.655 0.000 0.967 412 Y CA -2.670 55.139 58.100 -0.485 0.000 1.255 412 Y CB 1.227 39.512 38.460 -0.293 0.000 1.103 412 Y HN 0.599 nan 8.280 nan 0.000 0.497 413 P HA 0.122 nan 4.420 nan 0.000 0.275 413 P C -0.502 176.723 177.300 -0.125 0.000 1.227 413 P CA -0.283 62.636 63.100 -0.301 0.000 0.781 413 P CB 0.769 32.371 31.700 -0.163 0.000 0.906 414 R N 1.127 121.607 120.500 -0.035 0.000 3.251 414 R HA -0.223 4.166 4.340 0.082 0.000 0.249 414 R C 1.040 177.412 176.300 0.119 0.000 0.949 414 R CA 0.445 56.602 56.100 0.095 0.000 0.645 414 R CB -2.397 27.914 30.300 0.018 0.000 1.065 414 R HN 0.600 nan 8.270 nan 0.000 0.452 415 A N -0.021 122.846 122.820 0.079 0.000 1.968 415 A HA 0.097 4.466 4.320 0.082 0.000 0.217 415 A C 0.725 178.376 177.584 0.113 0.000 1.169 415 A CA 0.886 52.976 52.037 0.088 0.000 0.638 415 A CB 0.273 19.295 19.000 0.036 0.000 0.812 415 A HN 0.231 nan 8.150 nan 0.000 0.446 416 L N -1.946 119.346 121.223 0.115 0.000 2.327 416 L HA 0.600 4.989 4.340 0.082 0.000 0.258 416 L C -0.275 176.639 176.870 0.073 0.000 1.024 416 L CA -0.651 54.237 54.840 0.080 0.000 0.825 416 L CB 1.862 43.932 42.059 0.019 0.000 1.386 416 L HN 0.372 nan 8.230 nan 0.000 0.417 417 c N 0.472 119.070 118.600 -0.004 0.000 2.898 417 c HA 0.921 5.540 4.570 0.082 0.000 0.304 417 c C -1.147 172.868 174.090 -0.124 0.000 1.237 417 c CA -0.980 55.272 56.329 -0.129 0.000 1.529 417 c CB 1.373 43.701 42.510 -0.303 0.000 2.021 417 c HN 0.784 nan 8.230 nan 0.000 0.474 418 L N 3.335 124.456 121.223 -0.169 0.000 2.409 418 L HA 0.970 5.359 4.340 0.082 0.000 0.272 418 L C -0.828 175.901 176.870 -0.236 0.000 0.980 418 L CA -0.365 54.274 54.840 -0.336 0.000 0.826 418 L CB 1.462 43.255 42.059 -0.444 0.000 1.268 418 L HN 0.969 nan 8.230 nan 0.000 0.407 419 F N 1.530 121.197 119.950 -0.473 0.000 2.665 419 F HA 0.609 5.185 4.527 0.081 0.000 0.308 419 F C -1.015 174.642 175.800 -0.239 0.000 1.112 419 F CA -0.888 56.965 58.000 -0.246 0.000 0.972 419 F CB 1.193 40.095 39.000 -0.163 0.000 1.295 419 F HN 0.557 nan 8.300 nan 0.000 0.440 420 E N 2.963 123.240 120.200 0.128 0.000 2.216 420 E HA 0.603 5.002 4.350 0.082 0.000 0.279 420 E C -1.556 175.168 176.600 0.205 0.000 0.997 420 E CA -1.008 55.419 56.400 0.045 0.000 0.817 420 E CB 1.696 31.495 29.700 0.166 0.000 1.096 420 E HN 0.821 nan 8.360 nan 0.000 0.393 421 M N 5.610 125.289 119.600 0.131 0.000 2.386 421 M HA 0.431 4.960 4.480 0.082 0.000 0.293 421 M C -2.604 173.761 176.300 0.108 0.000 1.120 421 M CA -2.231 53.173 55.300 0.173 0.000 0.909 421 M CB 2.408 35.153 32.600 0.241 0.000 1.661 421 M HN 0.222 nan 8.290 nan 0.000 0.452 422 P HA 0.173 nan 4.420 nan 0.000 0.271 422 P C 0.117 177.463 177.300 0.076 0.000 1.216 422 P CA -0.115 63.042 63.100 0.095 0.000 0.771 422 P CB 0.533 32.287 31.700 0.090 0.000 0.864 423 T N -1.084 113.516 114.554 0.077 0.000 3.067 423 T HA 0.147 4.546 4.350 0.082 0.000 0.261 423 T C 1.429 176.167 174.700 0.064 0.000 1.110 423 T CA 0.803 62.944 62.100 0.069 0.000 1.113 423 T CB -0.974 67.954 68.868 0.100 0.000 0.917 423 T HN 0.638 nan 8.240 nan 0.000 0.499 424 G N 0.253 109.093 108.800 0.066 0.000 2.159 424 G HA2 -0.177 3.832 3.960 0.082 0.000 0.256 424 G HA3 -0.177 3.832 3.960 0.082 0.000 0.256 424 G C 0.072 175.006 174.900 0.056 0.000 0.977 424 G CA 0.149 45.281 45.100 0.053 0.000 0.652 424 G HN 1.135 nan 8.290 nan 0.000 0.531 425 V N 1.528 121.485 119.914 0.073 0.000 2.686 425 V HA 0.734 4.903 4.120 0.082 0.000 0.306 425 V C -2.177 173.972 176.094 0.093 0.000 1.065 425 V CA -1.781 60.563 62.300 0.073 0.000 0.894 425 V CB 2.492 34.352 31.823 0.062 0.000 1.004 425 V HN 0.104 nan 8.190 nan 0.000 0.424 426 P HA 0.102 nan 4.420 nan 0.000 0.268 426 P C 0.870 178.228 177.300 0.098 0.000 1.205 426 P CA 0.075 63.239 63.100 0.106 0.000 0.771 426 P CB 1.146 32.917 31.700 0.118 0.000 0.858 427 L N 2.284 123.571 121.223 0.106 0.000 2.083 427 L HA -0.108 4.281 4.340 0.082 0.000 0.209 427 L C 1.113 178.017 176.870 0.057 0.000 1.083 427 L CA 1.547 56.444 54.840 0.094 0.000 0.752 427 L CB -0.044 42.082 42.059 0.110 0.000 0.899 427 L HN 0.547 nan 8.230 nan 0.000 0.433 428 R N -0.906 119.627 120.500 0.055 0.000 2.629 428 R HA 0.620 5.009 4.340 0.082 0.000 0.266 428 R C -1.367 174.957 176.300 0.041 0.000 1.051 428 R CA -1.036 55.087 56.100 0.039 0.000 0.895 428 R CB 1.226 31.535 30.300 0.015 0.000 1.246 428 R HN 0.059 nan 8.270 nan 0.000 0.459 429 R N 0.215 120.742 120.500 0.046 0.000 2.663 429 R HA 0.566 4.955 4.340 0.082 0.000 0.267 429 R C -1.885 174.460 176.300 0.075 0.000 1.038 429 R CA -1.091 55.016 56.100 0.011 0.000 0.886 429 R CB 1.291 31.657 30.300 0.110 0.000 1.249 429 R HN 0.857 nan 8.270 nan 0.000 0.463 430 H N 1.291 120.268 119.070 -0.155 0.000 3.026 430 H HA 0.435 5.040 4.556 0.082 0.000 0.352 430 H C -2.096 173.184 175.328 -0.081 0.000 1.090 430 H CA -1.059 54.949 56.048 -0.067 0.000 1.268 430 H CB 1.198 30.930 29.762 -0.052 0.000 1.816 430 H HN 0.613 nan 8.280 nan 0.000 0.518 431 F N 5.663 125.221 119.950 -0.653 0.000 2.350 431 F HA 0.306 4.882 4.527 0.082 0.000 0.365 431 F C -0.092 175.102 175.800 -1.010 0.000 1.122 431 F CA -0.402 57.277 58.000 -0.534 0.000 1.139 431 F CB 0.372 39.253 39.000 -0.199 0.000 1.220 431 F HN 0.588 nan 8.300 nan 0.000 0.499 432 N N 5.152 123.050 118.700 -1.336 0.000 2.719 432 N HA -0.004 4.785 4.740 0.082 0.000 0.243 432 N C -0.408 174.563 175.510 -0.898 0.000 1.104 432 N CA -0.012 52.420 53.050 -1.029 0.000 0.981 432 N CB 0.601 38.272 38.487 -1.359 0.000 1.290 432 N HN 0.575 nan 8.380 nan 0.000 0.513 433 S N 1.844 117.089 115.700 -0.757 0.000 2.579 433 S HA 0.018 4.537 4.470 0.082 0.000 0.275 433 S C 1.378 175.500 174.600 -0.797 0.000 1.345 433 S CA -0.498 57.277 58.200 -0.708 0.000 1.031 433 S CB 0.449 63.239 63.200 -0.684 0.000 0.892 433 S HN 0.741 nan 8.310 nan 0.000 0.529 434 N N 2.702 121.132 118.700 -0.449 0.000 2.336 434 N HA 0.053 4.842 4.740 0.082 0.000 0.189 434 N C 0.204 175.674 175.510 -0.066 0.000 1.113 434 N CA 0.116 53.032 53.050 -0.222 0.000 0.858 434 N CB -0.896 37.567 38.487 -0.041 0.000 0.970 434 N HN 0.685 nan 8.380 nan 0.000 0.471 435 F N -1.023 118.970 119.950 0.072 0.000 3.034 435 F HA -0.260 4.316 4.527 0.082 0.000 0.286 435 F C 0.275 176.107 175.800 0.054 0.000 0.804 435 F CA 0.743 58.781 58.000 0.064 0.000 1.161 435 F CB -1.956 37.071 39.000 0.046 0.000 1.317 435 F HN 0.182 nan 8.300 nan 0.000 0.453 436 K N -0.278 120.208 120.400 0.142 0.000 2.860 436 K HA 0.512 4.881 4.320 0.082 0.000 0.204 436 K C 1.039 177.686 176.600 0.079 0.000 1.127 436 K CA 0.320 56.672 56.287 0.109 0.000 1.050 436 K CB 1.020 33.578 32.500 0.097 0.000 0.745 436 K HN 0.338 nan 8.250 nan 0.000 0.459 437 G N -0.095 108.751 108.800 0.075 0.000 2.175 437 G HA2 -0.217 3.792 3.960 0.082 0.000 0.244 437 G HA3 -0.217 3.792 3.960 0.082 0.000 0.244 437 G C 0.313 175.256 174.900 0.072 0.000 0.982 437 G CA -0.154 44.982 45.100 0.061 0.000 0.641 437 G HN 0.576 nan 8.290 nan 0.000 0.527 438 G N -0.789 108.067 108.800 0.092 0.000 3.058 438 G HA2 0.941 4.950 3.960 0.082 0.000 0.282 438 G HA3 0.941 4.950 3.960 0.082 0.000 0.282 438 G C -0.720 174.280 174.900 0.166 0.000 1.248 438 G CA -0.380 44.809 45.100 0.147 0.000 0.822 438 G HN 1.395 nan 8.290 nan 0.000 0.579 439 F N -1.285 118.573 119.950 -0.154 0.000 2.645 439 F HA 0.589 5.165 4.527 0.082 0.000 0.310 439 F C 0.070 175.728 175.800 -0.236 0.000 1.102 439 F CA -1.344 56.423 58.000 -0.388 0.000 0.952 439 F CB 1.661 40.223 39.000 -0.729 0.000 1.326 439 F HN 0.277 nan 8.300 nan 0.000 0.456 440 N N 1.231 119.661 118.700 -0.449 0.000 2.387 440 N HA 0.160 4.949 4.740 0.082 0.000 0.176 440 N C -0.653 174.604 175.510 -0.423 0.000 1.022 440 N CA 1.225 54.081 53.050 -0.324 0.000 0.883 440 N CB 0.332 38.754 38.487 -0.109 0.000 1.019 440 N HN 0.680 nan 8.380 nan 0.000 0.435 441 F N -2.267 117.206 119.950 -0.795 0.000 2.769 441 F HA 0.399 4.975 4.527 0.082 0.000 0.313 441 F C -1.777 173.780 175.800 -0.405 0.000 1.146 441 F CA -1.728 55.748 58.000 -0.873 0.000 0.934 441 F CB 0.709 39.119 39.000 -0.984 0.000 1.283 441 F HN -0.191 nan 8.300 nan 0.000 0.443 442 Y N 1.976 122.252 120.300 -0.041 0.000 2.364 442 Y HA 0.861 5.460 4.550 0.082 0.000 0.340 442 Y C -1.143 174.832 175.900 0.125 0.000 0.975 442 Y CA -0.919 57.217 58.100 0.060 0.000 1.089 442 Y CB 1.607 40.190 38.460 0.206 0.000 1.192 442 Y HN 1.081 nan 8.280 nan 0.000 0.454 443 A N 3.938 126.373 122.820 -0.642 0.000 2.371 443 A HA 0.921 5.290 4.320 0.082 0.000 0.311 443 A C -0.625 176.520 177.584 -0.731 0.000 1.068 443 A CA -0.190 51.566 52.037 -0.469 0.000 0.744 443 A CB 1.150 20.092 19.000 -0.095 0.000 1.239 443 A HN 1.263 nan 8.150 nan 0.000 0.435 444 G N -0.172 108.443 108.800 -0.308 0.000 2.720 444 G HA2 0.602 4.611 3.960 0.082 0.000 0.295 444 G HA3 0.602 4.611 3.960 0.082 0.000 0.295 444 G C -2.163 172.776 174.900 0.064 0.000 1.437 444 G CA -0.462 44.593 45.100 -0.076 0.000 0.886 444 G HN 1.265 nan 8.290 nan 0.000 0.509 445 L N 1.044 122.312 121.223 0.075 0.000 2.372 445 L HA 0.602 4.992 4.340 0.082 0.000 0.274 445 L C 0.338 177.275 176.870 0.112 0.000 0.988 445 L CA -1.014 53.879 54.840 0.088 0.000 0.833 445 L CB 1.502 43.595 42.059 0.058 0.000 1.236 445 L HN 0.596 nan 8.230 nan 0.000 0.410 446 K N 3.222 123.697 120.400 0.124 0.000 2.485 446 K HA 0.325 4.694 4.320 0.082 0.000 0.277 446 K C 0.208 176.886 176.600 0.130 0.000 0.990 446 K CA 0.442 56.804 56.287 0.125 0.000 0.994 446 K CB 0.417 32.990 32.500 0.123 0.000 0.906 446 K HN 0.914 nan 8.250 nan 0.000 0.488 447 G N 3.740 112.618 108.800 0.130 0.000 2.355 447 G HA2 0.175 4.184 3.960 0.082 0.000 0.276 447 G HA3 0.175 4.184 3.960 0.082 0.000 0.276 447 G C -0.854 174.135 174.900 0.148 0.000 1.198 447 G CA -0.418 44.771 45.100 0.148 0.000 0.876 447 G HN 0.557 nan 8.290 nan 0.000 0.478 448 Q N 0.273 120.178 119.800 0.174 0.000 2.456 448 Q HA 0.647 5.036 4.340 0.082 0.000 0.283 448 Q C -1.301 174.784 176.000 0.141 0.000 1.084 448 Q CA -0.841 55.062 55.803 0.167 0.000 0.801 448 Q CB 2.936 31.812 28.738 0.230 0.000 1.434 448 Q HN 0.430 nan 8.270 nan 0.000 0.419 449 V N 1.543 121.471 119.914 0.022 0.000 2.971 449 V HA 0.486 4.655 4.120 0.082 0.000 0.309 449 V C -1.607 174.335 176.094 -0.252 0.000 1.130 449 V CA -0.801 61.406 62.300 -0.155 0.000 0.964 449 V CB 2.570 34.114 31.823 -0.466 0.000 1.029 449 V HN 0.681 nan 8.190 nan 0.000 0.427 450 L N 5.954 126.942 121.223 -0.391 0.000 2.289 450 L HA 0.752 5.141 4.340 0.082 0.000 0.285 450 L C -0.782 175.766 176.870 -0.537 0.000 1.049 450 L CA 0.247 54.704 54.840 -0.639 0.000 0.804 450 L CB 1.637 43.129 42.059 -0.945 0.000 1.195 450 L HN 0.473 nan 8.230 nan 0.000 0.428 451 V N 6.023 125.455 119.914 -0.804 0.000 2.487 451 V HA 0.437 4.606 4.120 0.082 0.000 0.298 451 V C -0.608 175.075 176.094 -0.685 0.000 1.028 451 V CA -0.649 61.162 62.300 -0.815 0.000 0.860 451 V CB 1.577 32.623 31.823 -1.296 0.000 0.991 451 V HN 0.657 nan 8.190 nan 0.000 0.427 452 L N 5.928 126.951 121.223 -0.334 0.000 2.287 452 L HA 0.731 5.120 4.340 0.082 0.000 0.287 452 L C -0.294 176.496 176.870 -0.134 0.000 1.022 452 L CA 0.026 54.731 54.840 -0.226 0.000 0.814 452 L CB 1.075 43.083 42.059 -0.085 0.000 1.217 452 L HN 0.777 nan 8.230 nan 0.000 0.420 453 R N 3.069 123.517 120.500 -0.087 0.000 2.686 453 R HA 0.747 5.136 4.340 0.082 0.000 0.283 453 R C -1.181 175.161 176.300 0.070 0.000 0.978 453 R CA -0.349 55.764 56.100 0.022 0.000 0.897 453 R CB 2.023 32.386 30.300 0.105 0.000 1.192 453 R HN 0.735 nan 8.270 nan 0.000 0.457 454 T N 0.392 115.028 114.554 0.138 0.000 2.716 454 T HA 0.597 4.996 4.350 0.082 0.000 0.286 454 T C -1.115 173.746 174.700 0.269 0.000 1.052 454 T CA -0.288 61.917 62.100 0.174 0.000 1.024 454 T CB 1.580 70.531 68.868 0.138 0.000 1.349 454 T HN 0.775 nan 8.240 nan 0.000 0.525 455 T N -0.667 114.048 114.554 0.268 0.000 2.887 455 T HA 0.788 5.187 4.350 0.082 0.000 0.292 455 T C -1.031 173.873 174.700 0.339 0.000 1.087 455 T CA -0.693 61.596 62.100 0.314 0.000 1.009 455 T CB 1.402 70.385 68.868 0.192 0.000 1.203 455 T HN 0.861 nan 8.240 nan 0.000 0.518 456 S N 0.009 115.919 115.700 0.350 0.000 2.672 456 S HA 0.612 5.131 4.470 0.082 0.000 0.291 456 S C -0.879 173.766 174.600 0.074 0.000 1.145 456 S CA -0.800 57.526 58.200 0.210 0.000 1.013 456 S CB 1.371 64.763 63.200 0.320 0.000 1.017 456 S HN 0.815 nan 8.310 nan 0.000 0.487 457 T N 3.178 117.771 114.554 0.065 0.000 3.060 457 T HA 0.280 4.679 4.350 0.082 0.000 0.367 457 T C 1.118 175.839 174.700 0.035 0.000 1.229 457 T CA -0.509 61.605 62.100 0.023 0.000 1.104 457 T CB 0.907 69.829 68.868 0.090 0.000 1.083 457 T HN 0.478 nan 8.240 nan 0.000 0.524 458 V N 1.825 121.699 119.914 -0.067 0.000 2.358 458 V HA -0.058 4.111 4.120 0.082 0.000 0.246 458 V C 1.141 177.292 176.094 0.094 0.000 1.047 458 V CA 1.702 63.988 62.300 -0.022 0.000 1.035 458 V CB -0.362 31.337 31.823 -0.206 0.000 0.658 458 V HN 0.866 nan 8.190 nan 0.000 0.452 459 Y N -0.331 119.855 120.300 -0.189 0.000 2.690 459 Y HA 0.232 4.831 4.550 0.082 0.000 0.107 459 Y C 0.693 176.435 175.900 -0.264 0.000 0.952 459 Y CA -0.227 57.802 58.100 -0.119 0.000 1.854 459 Y CB -0.128 38.201 38.460 -0.220 0.000 1.185 459 Y HN 0.258 nan 8.280 nan 0.000 0.206 463 Y N 1.089 121.350 120.300 -0.065 0.000 2.323 463 Y HA 0.596 5.196 4.550 0.083 0.000 0.331 463 Y C 0.460 176.175 175.900 -0.308 0.000 1.092 463 Y CA -1.111 56.826 58.100 -0.272 0.000 1.150 463 Y CB 0.960 39.148 38.460 -0.454 0.000 1.200 463 Y HN 0.307 nan 8.280 nan 0.000 0.472 464 I N 2.943 123.398 120.570 -0.191 0.000 2.355 464 I HA 0.236 4.455 4.170 0.082 0.000 0.288 464 I C -1.214 174.797 176.117 -0.177 0.000 0.999 464 I CA -0.577 60.674 61.300 -0.082 0.000 1.163 464 I CB 0.896 38.885 38.000 -0.019 0.000 1.316 464 I HN 0.497 nan 8.210 nan 0.000 0.454 465 W N 5.320 126.647 121.300 0.045 0.000 2.329 465 W HA 0.425 5.134 4.660 0.082 0.000 0.312 465 W C -0.593 175.813 176.519 -0.188 0.000 1.054 465 W CA -0.449 56.842 57.345 -0.091 0.000 1.245 465 W CB 1.208 30.607 29.460 -0.101 0.000 1.255 465 W HN 0.295 nan 8.180 nan 0.000 0.436 466 D N 2.490 122.822 120.400 -0.114 0.000 2.498 466 D HA 0.444 5.133 4.640 0.082 0.000 0.247 466 D C -1.156 174.806 176.300 -0.563 0.000 1.070 466 D CA -0.612 53.246 54.000 -0.236 0.000 0.842 466 D CB 1.596 42.313 40.800 -0.139 0.000 1.361 466 D HN 0.070 nan 8.370 nan 0.000 0.484 467 F N 1.321 121.125 119.950 -0.242 0.000 2.467 467 F HA 0.521 5.097 4.527 0.081 0.000 0.336 467 F C 0.144 175.530 175.800 -0.691 0.000 1.123 467 F CA -0.854 56.852 58.000 -0.490 0.000 0.964 467 F CB 1.420 40.165 39.000 -0.425 0.000 1.136 467 F HN 0.013 nan 8.300 nan 0.000 0.447 468 I N 3.709 123.823 120.570 -0.759 0.000 2.509 468 I HA 0.413 4.632 4.170 0.082 0.000 0.293 468 I C -1.238 174.252 176.117 -1.045 0.000 1.020 468 I CA -0.611 60.256 61.300 -0.721 0.000 1.088 468 I CB 1.798 39.492 38.000 -0.511 0.000 1.267 468 I HN 0.358 nan 8.210 nan 0.000 0.430 469 F N 5.266 124.893 119.950 -0.537 0.000 2.499 469 F HA 0.482 5.058 4.527 0.081 0.000 0.333 469 F C -0.534 175.213 175.800 -0.087 0.000 1.138 469 F CA -0.664 57.012 58.000 -0.541 0.000 0.945 469 F CB 0.956 39.328 39.000 -1.047 0.000 1.181 469 F HN 0.211 nan 8.300 nan 0.000 0.435 470 Y N 3.166 123.682 120.300 0.361 0.000 2.335 470 Y HA 0.328 4.927 4.550 0.082 0.000 0.323 470 Y C -1.543 174.752 175.900 0.659 0.000 1.224 470 Y CA -2.247 56.102 58.100 0.415 0.000 1.241 470 Y CB 0.586 39.190 38.460 0.240 0.000 1.235 470 Y HN 0.373 nan 8.280 nan 0.000 0.492 471 P HA -0.121 nan 4.420 nan 0.000 0.228 471 P C 0.264 177.760 177.300 0.326 0.000 1.151 471 P CA 1.300 64.669 63.100 0.447 0.000 0.770 471 P CB 0.162 32.007 31.700 0.243 0.000 0.786 472 N N -1.171 117.661 118.700 0.220 0.000 2.279 472 N HA 0.132 4.921 4.740 0.082 0.000 0.226 472 N C 1.035 176.333 175.510 -0.352 0.000 1.126 472 N CA 0.226 53.233 53.050 -0.072 0.000 0.846 472 N CB -0.746 37.716 38.487 -0.041 0.000 1.050 472 N HN 0.086 nan 8.380 nan 0.000 0.502 473 G N -0.714 107.838 108.800 -0.413 0.000 2.159 473 G HA2 -0.255 3.754 3.960 0.082 0.000 0.256 473 G HA3 -0.255 3.754 3.960 0.082 0.000 0.256 473 G C -0.359 174.665 174.900 0.206 0.000 0.977 473 G CA 0.266 44.892 45.100 -0.790 0.000 0.652 473 G HN 0.302 nan 8.290 nan 0.000 0.531 474 V N 2.131 122.261 119.914 0.360 0.000 2.498 474 V HA 0.715 4.884 4.120 0.082 0.000 0.279 474 V C 0.723 177.137 176.094 0.533 0.000 1.048 474 V CA 0.525 63.028 62.300 0.338 0.000 0.967 474 V CB 1.367 33.177 31.823 -0.022 0.000 0.988 474 V HN 0.616 nan 8.190 nan 0.000 0.473 475 M N 2.980 122.767 119.600 0.312 0.000 2.591 475 M HA 0.834 5.363 4.480 0.082 0.000 0.306 475 M C -0.866 175.352 176.300 -0.137 0.000 1.190 475 M CA -0.587 54.662 55.300 -0.085 0.000 0.889 475 M CB 2.527 34.876 32.600 -0.418 0.000 1.728 475 M HN 0.588 nan 8.290 nan 0.000 0.458 476 E N 1.427 121.433 120.200 -0.324 0.000 2.292 476 E HA 0.757 5.156 4.350 0.082 0.000 0.272 476 E C -1.931 174.363 176.600 -0.510 0.000 0.881 476 E CA -0.897 55.302 56.400 -0.335 0.000 0.754 476 E CB 2.407 32.023 29.700 -0.141 0.000 1.201 476 E HN 0.942 nan 8.360 nan 0.000 0.425 477 A N 4.255 126.594 122.820 -0.801 0.000 2.305 477 A HA 0.626 4.995 4.320 0.082 0.000 0.322 477 A C -0.775 176.410 177.584 -0.666 0.000 1.187 477 A CA -0.529 50.998 52.037 -0.849 0.000 0.825 477 A CB 1.023 19.149 19.000 -1.457 0.000 1.164 477 A HN 0.547 nan 8.150 nan 0.000 0.498 478 K N 1.735 121.846 120.400 -0.482 0.000 2.498 478 K HA 0.596 4.965 4.320 0.082 0.000 0.254 478 K C -1.584 174.809 176.600 -0.345 0.000 0.933 478 K CA -0.472 55.575 56.287 -0.399 0.000 0.806 478 K CB 1.948 34.187 32.500 -0.434 0.000 1.301 478 K HN 0.812 nan 8.250 nan 0.000 0.432 479 M N 4.341 123.694 119.600 -0.412 0.000 2.259 479 M HA 0.364 4.893 4.480 0.082 0.000 0.304 479 M C -1.616 174.321 176.300 -0.604 0.000 1.019 479 M CA -0.558 54.400 55.300 -0.569 0.000 0.922 479 M CB 1.267 33.454 32.600 -0.689 0.000 1.600 479 M HN 0.722 nan 8.290 nan 0.000 0.433 480 H N 2.763 121.592 119.070 -0.401 0.000 2.495 480 H HA 0.647 5.252 4.556 0.082 0.000 0.348 480 H C -0.827 174.327 175.328 -0.290 0.000 1.113 480 H CA -0.895 54.978 56.048 -0.291 0.000 1.195 480 H CB 1.743 31.388 29.762 -0.196 0.000 1.521 480 H HN 0.787 nan 8.280 nan 0.000 0.509 481 A N 2.509 125.260 122.820 -0.116 0.000 2.292 481 A HA 0.537 4.906 4.320 0.082 0.000 0.319 481 A C 0.268 177.877 177.584 0.043 0.000 1.206 481 A CA -0.372 51.655 52.037 -0.017 0.000 0.835 481 A CB 1.451 20.411 19.000 -0.068 0.000 1.164 481 A HN 0.716 nan 8.150 nan 0.000 0.505 482 T N 0.622 115.236 114.554 0.099 0.000 2.598 482 T HA 0.760 5.159 4.350 0.082 0.000 0.289 482 T C 0.422 175.147 174.700 0.041 0.000 1.056 482 T CA 1.126 63.252 62.100 0.043 0.000 1.088 482 T CB 0.653 69.522 68.868 0.001 0.000 1.519 482 T HN 2.697 nan 8.240 nan 0.000 0.488 483 G N 0.100 108.882 108.800 -0.030 0.000 2.584 483 G HA2 -0.129 3.880 3.960 0.082 0.000 0.229 483 G HA3 -0.129 3.880 3.960 0.082 0.000 0.229 483 G C -1.312 173.486 174.900 -0.170 0.000 1.320 483 G CA -0.012 45.032 45.100 -0.094 0.000 0.891 483 G HN 0.846 nan 8.290 nan 0.000 0.573 484 Y N 0.069 120.277 120.300 -0.153 0.000 2.310 484 Y HA 0.473 5.073 4.550 0.082 0.000 0.326 484 Y C 1.338 177.182 175.900 -0.093 0.000 1.151 484 Y CA -0.029 57.979 58.100 -0.153 0.000 1.195 484 Y CB 1.510 39.759 38.460 -0.351 0.000 1.210 484 Y HN 0.798 nan 8.280 nan 0.000 0.483 485 V N 0.015 120.040 119.914 0.186 0.000 3.051 485 V HA 0.143 4.312 4.120 0.082 0.000 0.306 485 V C -0.108 176.093 176.094 0.178 0.000 1.083 485 V CA -0.755 61.662 62.300 0.195 0.000 1.104 485 V CB 0.624 32.562 31.823 0.192 0.000 1.027 485 V HN 0.816 nan 8.190 nan 0.000 0.483 486 H N 2.687 121.783 119.070 0.044 0.000 2.819 486 H HA 0.688 5.293 4.556 0.082 0.000 0.303 486 H C 0.044 175.374 175.328 0.002 0.000 1.058 486 H CA 0.681 56.716 56.048 -0.021 0.000 1.471 486 H CB 0.344 29.962 29.762 -0.242 0.000 1.480 486 H HN 1.253 nan 8.280 nan 0.000 0.517 487 A N 4.022 126.728 122.820 -0.190 0.000 2.515 487 A HA 0.699 5.068 4.320 0.082 0.000 0.296 487 A C -0.452 177.060 177.584 -0.121 0.000 1.094 487 A CA -0.177 51.803 52.037 -0.094 0.000 0.718 487 A CB 1.261 20.306 19.000 0.075 0.000 1.307 487 A HN 0.826 nan 8.150 nan 0.000 0.408 488 T N -1.955 112.589 114.554 -0.017 0.000 2.864 488 T HA 0.666 5.065 4.350 0.082 0.000 0.289 488 T C -0.485 174.352 174.700 0.228 0.000 1.082 488 T CA -0.555 61.568 62.100 0.038 0.000 1.009 488 T CB 0.816 69.615 68.868 -0.116 0.000 1.234 488 T HN 0.904 nan 8.240 nan 0.000 0.526 489 F N 1.983 122.007 119.950 0.123 0.000 2.484 489 F HA 0.391 4.967 4.527 0.082 0.000 0.360 489 F C 0.103 176.114 175.800 0.353 0.000 1.101 489 F CA -1.227 56.914 58.000 0.235 0.000 1.251 489 F CB 0.260 39.401 39.000 0.235 0.000 1.132 489 F HN 0.692 nan 8.300 nan 0.000 0.570 490 Y N 6.192 126.256 120.300 -0.392 0.000 2.544 490 Y HA 0.345 4.944 4.550 0.082 0.000 0.330 490 Y C 0.162 175.899 175.900 -0.271 0.000 1.136 490 Y CA 0.338 58.268 58.100 -0.283 0.000 1.417 490 Y CB 0.203 38.469 38.460 -0.323 0.000 1.229 490 Y HN 0.742 nan 8.280 nan 0.000 0.532 491 T N 3.411 117.469 114.554 -0.826 0.000 2.883 491 T HA 0.411 4.810 4.350 0.082 0.000 0.296 491 T C -2.382 171.659 174.700 -1.099 0.000 1.117 491 T CA -2.217 59.361 62.100 -0.869 0.000 1.006 491 T CB 2.020 70.820 68.868 -0.114 0.000 1.191 491 T HN 0.289 nan 8.240 nan 0.000 0.508 492 P HA -0.043 nan 4.420 nan 0.000 0.216 492 P C 1.045 178.217 177.300 -0.213 0.000 1.150 492 P CA 1.071 63.990 63.100 -0.302 0.000 0.837 492 P CB 0.045 31.681 31.700 -0.107 0.000 0.786 493 E N -0.780 119.318 120.200 -0.170 0.000 2.265 493 E HA -0.079 4.320 4.350 0.082 0.000 0.196 493 E C 2.186 178.698 176.600 -0.146 0.000 0.996 493 E CA 1.265 57.626 56.400 -0.066 0.000 0.832 493 E CB -1.384 28.359 29.700 0.071 0.000 0.756 493 E HN 0.247 nan 8.360 nan 0.000 0.491 494 G N 0.387 108.844 108.800 -0.572 0.000 2.448 494 G HA2 -0.216 3.793 3.960 0.082 0.000 0.219 494 G HA3 -0.216 3.793 3.960 0.082 0.000 0.219 494 G C 1.343 176.078 174.900 -0.275 0.000 1.127 494 G CA 0.344 44.872 45.100 -0.954 0.000 0.766 494 G HN 0.238 nan 8.290 nan 0.000 0.552 495 L N -0.335 120.788 121.223 -0.167 0.000 2.456 495 L HA 0.032 4.422 4.340 0.082 0.000 0.224 495 L C 2.819 179.635 176.870 -0.091 0.000 1.148 495 L CA 0.420 55.221 54.840 -0.065 0.000 0.825 495 L CB -0.182 41.865 42.059 -0.019 0.000 0.937 495 L HN 0.172 nan 8.230 nan 0.000 0.450 496 R N -0.978 119.429 120.500 -0.155 0.000 2.307 496 R HA 0.002 4.391 4.340 0.082 0.000 0.199 496 R C 0.593 176.573 176.300 -0.533 0.000 1.000 496 R CA 0.564 56.464 56.100 -0.332 0.000 1.023 496 R CB 0.065 30.114 30.300 -0.418 0.000 0.908 496 R HN 0.497 nan 8.270 nan 0.000 0.473 497 H N -1.268 117.797 119.070 -0.007 0.000 2.865 497 H HA 0.353 4.958 4.556 0.082 0.000 0.247 497 H C 0.524 175.884 175.328 0.054 0.000 1.181 497 H CA 0.363 56.432 56.048 0.035 0.000 0.975 497 H CB 1.420 31.227 29.762 0.075 0.000 1.899 497 H HN 0.297 nan 8.280 nan 0.000 0.651 498 G N 0.173 109.032 108.800 0.099 0.000 2.333 498 G HA2 0.138 4.148 3.960 0.082 0.000 0.288 498 G HA3 0.138 4.148 3.960 0.082 0.000 0.288 498 G C -1.430 173.505 174.900 0.059 0.000 1.286 498 G CA -0.681 44.477 45.100 0.097 0.000 0.865 498 G HN 0.016 nan 8.290 nan 0.000 0.506 499 T N 0.341 114.937 114.554 0.070 0.000 2.861 499 T HA 0.583 4.982 4.350 0.082 0.000 0.287 499 T C 0.066 174.792 174.700 0.044 0.000 1.003 499 T CA -0.607 61.525 62.100 0.053 0.000 0.977 499 T CB 1.930 70.840 68.868 0.069 0.000 0.996 499 T HN 0.673 nan 8.240 nan 0.000 0.448 500 R N 2.937 123.443 120.500 0.010 0.000 2.370 500 R HA 0.279 4.668 4.340 0.082 0.000 0.309 500 R C 0.288 176.536 176.300 -0.086 0.000 1.059 500 R CA -0.041 56.022 56.100 -0.061 0.000 0.981 500 R CB 0.065 30.231 30.300 -0.222 0.000 0.972 500 R HN 0.659 nan 8.270 nan 0.000 0.437 501 L N 3.059 124.239 121.223 -0.073 0.000 2.672 501 L HA 0.290 4.679 4.340 0.082 0.000 0.236 501 L C 0.851 177.656 176.870 -0.109 0.000 1.092 501 L CA -0.168 54.637 54.840 -0.057 0.000 0.887 501 L CB 0.112 42.177 42.059 0.009 0.000 1.168 501 L HN 0.671 nan 8.230 nan 0.000 0.502 502 H N -1.623 117.255 119.070 -0.320 0.000 2.883 502 H HA 0.117 4.722 4.556 0.082 0.000 0.277 502 H C 0.204 175.250 175.328 -0.469 0.000 1.451 502 H CA -0.007 55.752 56.048 -0.483 0.000 1.157 502 H CB 1.554 30.804 29.762 -0.854 0.000 1.851 502 H HN -0.294 nan 8.280 nan 0.000 0.566 503 T N 0.054 114.288 114.554 -0.534 0.000 2.665 503 T HA -0.146 4.253 4.350 0.082 0.000 0.268 503 T C 0.898 175.249 174.700 -0.581 0.000 1.035 503 T CA 1.526 63.272 62.100 -0.590 0.000 1.151 503 T CB -0.264 68.227 68.868 -0.627 0.000 0.862 503 T HN 0.424 nan 8.240 nan 0.000 0.438 504 H N -0.658 118.352 119.070 -0.100 0.000 2.486 504 H HA 0.494 5.099 4.556 0.082 0.000 0.284 504 H C -0.588 174.691 175.328 -0.081 0.000 1.103 504 H CA -0.427 55.548 56.048 -0.123 0.000 1.089 504 H CB 0.168 29.971 29.762 0.069 0.000 1.603 504 H HN 0.169 nan 8.280 nan 0.000 0.557 505 L N 1.660 122.898 121.223 0.025 0.000 2.381 505 L HA 0.414 4.803 4.340 0.082 0.000 0.274 505 L C -1.115 175.807 176.870 0.087 0.000 0.988 505 L CA -0.560 54.329 54.840 0.081 0.000 0.824 505 L CB 1.719 43.808 42.059 0.049 0.000 1.263 505 L HN -0.059 nan 8.230 nan 0.000 0.410 506 I N 4.059 124.718 120.570 0.148 0.000 2.378 506 I HA 0.388 4.607 4.170 0.082 0.000 0.291 506 I C 0.639 176.826 176.117 0.117 0.000 0.992 506 I CA -0.368 61.019 61.300 0.145 0.000 1.154 506 I CB 1.615 39.730 38.000 0.193 0.000 1.315 506 I HN 0.769 nan 8.210 nan 0.000 0.448 507 G N 5.809 114.668 108.800 0.099 0.000 2.391 507 G HA2 0.198 4.207 3.960 0.082 0.000 0.305 507 G HA3 0.198 4.207 3.960 0.082 0.000 0.305 507 G C 0.026 175.009 174.900 0.137 0.000 1.072 507 G CA -0.418 44.743 45.100 0.102 0.000 1.016 507 G HN 0.617 nan 8.290 nan 0.000 0.418 508 N N 1.164 119.967 118.700 0.171 0.000 2.492 508 N HA 0.067 4.856 4.740 0.082 0.000 0.262 508 N C 0.536 176.265 175.510 0.365 0.000 1.202 508 N CA -0.287 52.919 53.050 0.261 0.000 0.926 508 N CB 1.534 40.189 38.487 0.280 0.000 1.078 508 N HN 0.566 nan 8.380 nan 0.000 0.454 509 I N 3.514 124.239 120.570 0.257 0.000 2.710 509 I HA -0.022 4.197 4.170 0.082 0.000 0.286 509 I C 0.004 176.214 176.117 0.155 0.000 1.181 509 I CA 0.342 61.734 61.300 0.153 0.000 1.430 509 I CB 0.030 38.080 38.000 0.084 0.000 1.367 509 I HN 0.696 nan 8.210 nan 0.000 0.577 510 H N 2.938 121.887 119.070 -0.202 0.000 2.981 510 H HA 0.421 5.027 4.556 0.082 0.000 0.327 510 H C -1.619 173.509 175.328 -0.334 0.000 1.342 510 H CA -1.040 54.733 56.048 -0.458 0.000 1.123 510 H CB 1.006 30.052 29.762 -1.194 0.000 1.851 510 H HN 0.377 nan 8.280 nan 0.000 0.531 511 T N 1.935 116.285 114.554 -0.340 0.000 2.807 511 T HA 0.259 4.658 4.350 0.082 0.000 0.279 511 T C -0.345 174.153 174.700 -0.336 0.000 0.993 511 T CA -0.676 61.235 62.100 -0.315 0.000 0.970 511 T CB 0.738 69.480 68.868 -0.210 0.000 0.950 511 T HN 0.423 nan 8.240 nan 0.000 0.441 512 H N 3.126 121.955 119.070 -0.401 0.000 2.580 512 H HA 0.450 5.055 4.556 0.082 0.000 0.322 512 H C -0.462 174.750 175.328 -0.194 0.000 1.082 512 H CA -0.172 55.673 56.048 -0.338 0.000 1.383 512 H CB 1.017 30.331 29.762 -0.746 0.000 1.450 512 H HN 0.338 nan 8.280 nan 0.000 0.505 513 L N 3.395 124.693 121.223 0.124 0.000 2.410 513 L HA 0.419 4.808 4.340 0.082 0.000 0.270 513 L C -0.582 176.536 176.870 0.413 0.000 0.983 513 L CA -0.886 54.112 54.840 0.264 0.000 0.822 513 L CB 2.381 44.588 42.059 0.247 0.000 1.285 513 L HN 0.243 nan 8.230 nan 0.000 0.409 514 V N 1.242 121.391 119.914 0.391 0.000 2.656 514 V HA 0.413 4.583 4.120 0.082 0.000 0.307 514 V C -0.740 175.466 176.094 0.186 0.000 1.051 514 V CA -0.569 61.888 62.300 0.262 0.000 0.893 514 V CB 2.059 34.019 31.823 0.228 0.000 0.999 514 V HN 0.676 nan 8.190 nan 0.000 0.426 515 H N 3.272 122.110 119.070 -0.387 0.000 2.469 515 H HA 0.572 5.177 4.556 0.081 0.000 0.342 515 H C -1.736 173.406 175.328 -0.309 0.000 1.115 515 H CA -0.436 55.314 56.048 -0.497 0.000 1.204 515 H CB 1.565 30.498 29.762 -1.381 0.000 1.492 515 H HN 0.618 nan 8.280 nan 0.000 0.499 516 Y N 2.287 122.416 120.300 -0.285 0.000 2.485 516 Y HA 0.266 4.865 4.550 0.083 0.000 0.345 516 Y C 0.176 175.869 175.900 -0.344 0.000 0.998 516 Y CA -0.875 57.129 58.100 -0.160 0.000 1.059 516 Y CB 1.609 40.139 38.460 0.118 0.000 1.234 516 Y HN 0.466 nan 8.280 nan 0.000 0.461 517 R N 2.085 122.528 120.500 -0.094 0.000 2.265 517 R HA 0.659 5.048 4.340 0.082 0.000 0.319 517 R C -1.888 174.227 176.300 -0.309 0.000 1.006 517 R CA -0.422 55.426 56.100 -0.419 0.000 0.880 517 R CB 0.685 30.708 30.300 -0.461 0.000 1.077 517 R HN 0.574 nan 8.270 nan 0.000 0.454 518 V N 4.617 124.257 119.914 -0.457 0.000 2.315 518 V HA 0.088 4.257 4.120 0.082 0.000 0.265 518 V C -0.549 175.309 176.094 -0.393 0.000 1.019 518 V CA -0.749 61.332 62.300 -0.364 0.000 0.824 518 V CB 0.922 32.471 31.823 -0.457 0.000 1.072 518 V HN 0.729 nan 8.190 nan 0.000 0.448 519 D N 4.205 124.440 120.400 -0.275 0.000 2.551 519 D HA 0.230 4.920 4.640 0.082 0.000 0.223 519 D C 0.222 176.438 176.300 -0.141 0.000 1.144 519 D CA 0.014 53.912 54.000 -0.169 0.000 1.025 519 D CB 0.160 40.964 40.800 0.007 0.000 1.085 519 D HN 0.428 nan 8.370 nan 0.000 0.506 520 L N 2.181 123.256 121.223 -0.246 0.000 2.453 520 L HA 0.176 4.565 4.340 0.082 0.000 0.272 520 L C 0.229 177.039 176.870 -0.101 0.000 1.182 520 L CA 0.183 54.893 54.840 -0.217 0.000 0.858 520 L CB 0.594 42.443 42.059 -0.350 0.000 1.120 520 L HN 0.142 nan 8.230 nan 0.000 0.474 521 D N 2.370 122.731 120.400 -0.065 0.000 2.441 521 D HA 0.200 4.889 4.640 0.082 0.000 0.287 521 D C -0.580 175.719 176.300 -0.003 0.000 1.198 521 D CA -0.186 53.802 54.000 -0.019 0.000 0.894 521 D CB 1.377 42.169 40.800 -0.013 0.000 1.070 521 D HN 0.014 nan 8.370 nan 0.000 0.499 522 V N 1.564 121.514 119.914 0.061 0.000 2.421 522 V HA 0.298 4.467 4.120 0.082 0.000 0.271 522 V C 1.284 177.505 176.094 0.212 0.000 1.031 522 V CA -0.071 62.321 62.300 0.154 0.000 1.032 522 V CB 0.275 32.259 31.823 0.269 0.000 1.009 522 V HN 0.733 nan 8.190 nan 0.000 0.477 523 A N 3.776 126.755 122.820 0.265 0.000 2.799 523 A HA 0.075 4.444 4.320 0.082 0.000 0.287 523 A C 1.171 178.793 177.584 0.064 0.000 1.484 523 A CA 1.341 53.479 52.037 0.168 0.000 0.813 523 A CB -1.490 17.544 19.000 0.056 0.000 1.009 523 A HN 2.655 nan 8.150 nan 0.000 0.545 524 G N -3.560 105.265 108.800 0.041 0.000 2.343 524 G HA2 0.360 4.369 3.960 0.082 0.000 0.465 524 G HA3 0.360 4.369 3.960 0.082 0.000 0.465 524 G C 0.542 175.448 174.900 0.009 0.000 1.282 524 G CA 0.792 45.902 45.100 0.017 0.000 0.996 524 G HN 1.701 nan 8.290 nan 0.000 0.521 525 T N -0.535 114.011 114.554 -0.014 0.000 2.812 525 T HA 0.080 4.479 4.350 0.082 0.000 0.264 525 T C 1.055 175.753 174.700 -0.003 0.000 1.042 525 T CA 2.066 64.142 62.100 -0.039 0.000 1.140 525 T CB -0.399 68.422 68.868 -0.077 0.000 0.870 525 T HN 0.443 nan 8.240 nan 0.000 0.445 526 K N 2.658 123.066 120.400 0.014 0.000 2.285 526 K HA 0.357 4.727 4.320 0.082 0.000 0.286 526 K C -0.760 175.877 176.600 0.063 0.000 1.072 526 K CA -0.100 56.207 56.287 0.034 0.000 0.913 526 K CB 0.828 33.341 32.500 0.023 0.000 1.067 526 K HN 0.474 nan 8.250 nan 0.000 0.479 527 N N 0.206 118.962 118.700 0.093 0.000 2.509 527 N HA 0.382 5.171 4.740 0.082 0.000 0.280 527 N C -1.181 174.413 175.510 0.141 0.000 1.306 527 N CA -0.767 52.366 53.050 0.138 0.000 0.782 527 N CB 1.976 40.589 38.487 0.210 0.000 1.493 527 N HN 0.269 nan 8.380 nan 0.000 0.498 528 S N -0.049 115.743 115.700 0.153 0.000 2.709 528 S HA 0.566 5.085 4.470 0.082 0.000 0.302 528 S C -1.663 173.042 174.600 0.176 0.000 1.127 528 S CA -0.575 57.713 58.200 0.146 0.000 0.905 528 S CB 1.313 64.563 63.200 0.084 0.000 1.151 528 S HN 0.446 nan 8.310 nan 0.000 0.510 529 F N 2.510 122.437 119.950 -0.038 0.000 2.507 529 F HA 0.607 5.184 4.527 0.082 0.000 0.325 529 F C -0.600 175.157 175.800 -0.072 0.000 1.116 529 F CA -0.411 57.444 58.000 -0.241 0.000 0.930 529 F CB 1.161 39.955 39.000 -0.344 0.000 1.146 529 F HN 0.662 nan 8.300 nan 0.000 0.447 530 Q N 2.807 122.059 119.800 -0.914 0.000 2.501 530 Q HA 0.755 5.144 4.340 0.082 0.000 0.288 530 Q C -1.655 173.913 176.000 -0.720 0.000 1.051 530 Q CA -1.108 54.374 55.803 -0.535 0.000 0.788 530 Q CB 2.399 31.031 28.738 -0.176 0.000 1.469 530 Q HN 0.661 nan 8.270 nan 0.000 0.416 531 T N -0.759 113.648 114.554 -0.245 0.000 2.907 531 T HA 0.760 5.160 4.350 0.082 0.000 0.292 531 T C -0.613 174.057 174.700 -0.051 0.000 1.043 531 T CA -0.865 61.138 62.100 -0.162 0.000 1.003 531 T CB 1.004 69.876 68.868 0.006 0.000 1.084 531 T HN 0.551 nan 8.240 nan 0.000 0.483 532 L N 1.033 122.230 121.223 -0.043 0.000 2.362 532 L HA 0.855 5.245 4.340 0.082 0.000 0.271 532 L C 0.257 177.128 176.870 0.001 0.000 1.002 532 L CA -0.993 53.813 54.840 -0.057 0.000 0.818 532 L CB 1.550 43.490 42.059 -0.198 0.000 1.298 532 L HN 1.034 nan 8.230 nan 0.000 0.420 533 Q N 2.777 122.575 119.800 -0.004 0.000 2.451 533 Q HA 0.686 5.075 4.340 0.082 0.000 0.281 533 Q C -1.061 174.939 176.000 -0.000 0.000 1.099 533 Q CA -0.803 55.015 55.803 0.025 0.000 0.806 533 Q CB 2.884 31.648 28.738 0.043 0.000 1.419 533 Q HN 0.641 nan 8.270 nan 0.000 0.427 534 M N 1.899 121.509 119.600 0.016 0.000 2.188 534 M HA 0.557 5.086 4.480 0.082 0.000 0.357 534 M C -1.069 175.241 176.300 0.018 0.000 1.204 534 M CA -0.325 54.981 55.300 0.010 0.000 1.095 534 M CB 1.064 33.675 32.600 0.018 0.000 1.604 534 M HN 0.646 nan 8.290 nan 0.000 0.464 535 K N 6.071 126.479 120.400 0.013 0.000 2.443 535 K HA 0.607 4.976 4.320 0.082 0.000 0.252 535 K C -1.276 175.332 176.600 0.013 0.000 0.933 535 K CA -0.623 55.673 56.287 0.016 0.000 0.792 535 K CB 1.668 34.177 32.500 0.014 0.000 1.185 535 K HN 0.876 nan 8.250 nan 0.000 0.425 536 L N 3.530 124.762 121.223 0.015 0.000 2.417 536 L HA 0.431 4.820 4.340 0.082 0.000 0.268 536 L C 0.918 177.794 176.870 0.011 0.000 1.158 536 L CA -0.140 54.708 54.840 0.013 0.000 0.819 536 L CB 0.754 42.821 42.059 0.014 0.000 1.112 536 L HN 0.828 nan 8.230 nan 0.000 0.458 537 E N 1.412 121.618 120.200 0.010 0.000 2.263 537 E HA 0.386 4.785 4.350 0.082 0.000 0.264 537 E C -1.086 175.518 176.600 0.006 0.000 0.923 537 E CA -1.001 55.404 56.400 0.008 0.000 0.802 537 E CB 1.968 31.672 29.700 0.008 0.000 1.228 537 E HN 0.373 nan 8.360 nan 0.000 0.417 538 N N 2.313 121.014 118.700 0.002 0.000 2.573 538 N HA 0.287 5.076 4.740 0.082 0.000 0.262 538 N C -1.227 174.278 175.510 -0.007 0.000 1.029 538 N CA -0.676 52.373 53.050 -0.002 0.000 0.882 538 N CB 0.700 39.186 38.487 -0.002 0.000 1.204 538 N HN 0.714 nan 8.380 nan 0.000 0.519 539 I N -0.986 119.578 120.570 -0.010 0.000 2.910 539 I HA 0.614 4.833 4.170 0.082 0.000 0.310 539 I C 0.019 176.118 176.117 -0.030 0.000 1.043 539 I CA -0.778 60.513 61.300 -0.015 0.000 1.053 539 I CB 1.756 39.751 38.000 -0.007 0.000 1.242 539 I HN 0.057 nan 8.210 nan 0.000 0.452 540 T N 3.057 117.590 114.554 -0.036 0.000 2.902 540 T HA -0.008 4.391 4.350 0.082 0.000 0.301 540 T C 0.371 175.024 174.700 -0.079 0.000 1.012 540 T CA 0.107 62.172 62.100 -0.058 0.000 1.151 540 T CB -0.364 68.473 68.868 -0.051 0.000 0.946 540 T HN 0.607 nan 8.240 nan 0.000 0.542 541 N N 5.040 123.660 118.700 -0.134 0.000 2.434 541 N HA 0.015 4.804 4.740 0.082 0.000 0.268 541 N C -1.319 174.047 175.510 -0.240 0.000 1.256 541 N CA -1.995 50.904 53.050 -0.252 0.000 0.914 541 N CB 1.113 39.342 38.487 -0.429 0.000 1.088 541 N HN 0.266 nan 8.380 nan 0.000 0.478 542 P HA -0.051 nan 4.420 nan 0.000 0.226 542 P C 0.854 178.197 177.300 0.072 0.000 1.153 542 P CA 1.117 64.219 63.100 0.004 0.000 0.777 542 P CB -0.118 31.637 31.700 0.093 0.000 0.794 543 W N -1.619 119.695 121.300 0.024 0.000 3.127 543 W HA 0.534 5.243 4.660 0.082 0.000 0.344 543 W C -0.372 176.171 176.519 0.039 0.000 1.151 543 W CA -0.240 57.119 57.345 0.023 0.000 1.765 543 W CB -0.265 29.202 29.460 0.012 0.000 1.085 543 W HN -0.091 nan 8.180 nan 0.000 0.596 544 S N 2.261 117.762 115.700 -0.331 0.000 2.488 544 S HA 0.293 4.812 4.470 0.082 0.000 0.151 544 S C -1.978 172.540 174.600 -0.135 0.000 1.401 544 S CA -0.678 57.398 58.200 -0.205 0.000 1.221 544 S CB 0.656 63.613 63.200 -0.405 0.000 1.407 544 S HN -0.263 nan 8.310 nan 0.000 0.406 545 P HA 0.047 nan 4.420 nan 0.000 0.234 545 P C 0.930 178.149 177.300 -0.135 0.000 1.167 545 P CA 0.398 63.440 63.100 -0.097 0.000 0.763 545 P CB -0.002 31.664 31.700 -0.057 0.000 0.835 546 R N -1.664 118.716 120.500 -0.199 0.000 2.276 546 R HA 0.041 4.430 4.340 0.082 0.000 0.203 546 R C 0.400 176.366 176.300 -0.557 0.000 1.017 546 R CA 0.468 56.351 56.100 -0.361 0.000 1.010 546 R CB -0.354 29.691 30.300 -0.425 0.000 0.900 546 R HN 0.448 nan 8.270 nan 0.000 0.469 547 H N -0.736 118.244 119.070 -0.149 0.000 2.693 547 H HA 0.444 5.049 4.556 0.082 0.000 0.348 547 H C -0.118 175.114 175.328 -0.159 0.000 1.222 547 H CA -0.889 55.064 56.048 -0.159 0.000 1.270 547 H CB 0.977 30.609 29.762 -0.217 0.000 1.798 547 H HN -0.286 nan 8.280 nan 0.000 0.592 548 R N 0.432 120.936 120.500 0.005 0.000 2.803 548 R HA 0.526 4.915 4.340 0.082 0.000 0.276 548 R C -1.273 175.001 176.300 -0.043 0.000 0.978 548 R CA -1.054 55.026 56.100 -0.035 0.000 0.939 548 R CB 2.098 32.386 30.300 -0.020 0.000 1.179 548 R HN 0.310 nan 8.270 nan 0.000 0.472 549 V N 2.132 122.021 119.914 -0.041 0.000 2.384 549 V HA 0.322 4.491 4.120 0.082 0.000 0.287 549 V C -0.349 175.744 176.094 -0.002 0.000 1.020 549 V CA -0.763 61.527 62.300 -0.017 0.000 0.850 549 V CB 1.940 33.760 31.823 -0.005 0.000 0.987 549 V HN 0.397 nan 8.190 nan 0.000 0.436 550 V N 6.790 126.707 119.914 0.006 0.000 2.334 550 V HA 0.592 4.761 4.120 0.082 0.000 0.281 550 V C -0.173 175.930 176.094 0.015 0.000 1.016 550 V CA -0.332 61.973 62.300 0.009 0.000 0.832 550 V CB 1.252 33.079 31.823 0.007 0.000 0.999 550 V HN 1.056 nan 8.190 nan 0.000 0.439 551 Q N 4.994 124.804 119.800 0.016 0.000 2.482 551 Q HA 0.653 5.043 4.340 0.082 0.000 0.286 551 Q C -3.166 172.844 176.000 0.017 0.000 1.007 551 Q CA -2.293 53.521 55.803 0.020 0.000 0.801 551 Q CB 2.571 31.324 28.738 0.026 0.000 1.455 551 Q HN 0.313 nan 8.270 nan 0.000 0.398 552 P HA 0.050 nan 4.420 nan 0.000 0.266 552 P C -0.827 176.479 177.300 0.010 0.000 1.195 552 P CA 0.432 63.540 63.100 0.013 0.000 0.768 552 P CB 0.714 32.422 31.700 0.012 0.000 0.838 553 T N 0.430 114.988 114.554 0.007 0.000 2.901 553 T HA 0.606 5.005 4.350 0.082 0.000 0.293 553 T C -0.962 173.736 174.700 -0.004 0.000 1.084 553 T CA -0.953 61.149 62.100 0.004 0.000 1.008 553 T CB 0.919 69.791 68.868 0.006 0.000 1.170 553 T HN 0.135 nan 8.240 nan 0.000 0.509 554 L N 1.541 122.759 121.223 -0.008 0.000 2.272 554 L HA 0.608 4.997 4.340 0.082 0.000 0.289 554 L C -0.092 176.771 176.870 -0.012 0.000 1.032 554 L CA -0.325 54.502 54.840 -0.021 0.000 0.810 554 L CB 0.722 42.766 42.059 -0.025 0.000 1.205 554 L HN 0.931 nan 8.230 nan 0.000 0.422 555 E N 3.671 123.861 120.200 -0.016 0.000 2.187 555 E HA 0.669 5.069 4.350 0.082 0.000 0.268 555 E C -1.259 175.332 176.600 -0.014 0.000 0.896 555 E CA -0.461 55.934 56.400 -0.008 0.000 0.766 555 E CB 1.391 31.091 29.700 0.000 0.000 1.142 555 E HN 0.743 nan 8.360 nan 0.000 0.408 556 Q N 2.107 121.900 119.800 -0.012 0.000 2.312 556 Q HA 0.479 4.868 4.340 0.082 0.000 0.263 556 Q C -0.787 175.198 176.000 -0.025 0.000 0.995 556 Q CA -0.695 55.098 55.803 -0.017 0.000 0.853 556 Q CB 1.905 30.640 28.738 -0.006 0.000 1.300 556 Q HN 0.560 nan 8.270 nan 0.000 0.448 557 T N 3.081 117.620 114.554 -0.026 0.000 2.812 557 T HA 0.483 4.882 4.350 0.082 0.000 0.282 557 T C -0.660 173.976 174.700 -0.107 0.000 0.990 557 T CA -0.546 61.502 62.100 -0.087 0.000 0.960 557 T CB 1.166 69.985 68.868 -0.082 0.000 0.948 557 T HN 0.669 nan 8.240 nan 0.000 0.438 558 Q N 2.028 121.725 119.800 -0.171 0.000 2.214 558 Q HA 0.462 4.851 4.340 0.082 0.000 0.251 558 Q C -1.181 174.663 176.000 -0.260 0.000 0.936 558 Q CA -0.509 55.237 55.803 -0.094 0.000 0.894 558 Q CB 1.434 30.137 28.738 -0.058 0.000 1.252 558 Q HN 0.648 nan 8.270 nan 0.000 0.448 559 Y N -0.541 119.760 120.300 0.000 0.000 2.350 559 Y HA 0.253 4.852 4.550 0.082 0.000 0.338 559 Y C 0.811 176.688 175.900 -0.038 0.000 0.961 559 Y CA -0.431 57.706 58.100 0.063 0.000 1.100 559 Y CB 2.168 40.785 38.460 0.263 0.000 1.179 559 Y HN 0.546 nan 8.280 nan 0.000 0.454 560 S N 1.259 116.921 115.700 -0.062 0.000 2.527 560 S HA 0.124 4.643 4.470 0.082 0.000 0.227 560 S C -0.664 173.536 174.600 -0.666 0.000 1.059 560 S CA -0.007 57.907 58.200 -0.477 0.000 0.919 560 S CB 0.294 63.011 63.200 -0.806 0.000 0.805 560 S HN 0.623 nan 8.310 nan 0.000 0.500 561 W N 1.555 122.920 121.300 0.109 0.000 2.844 561 W HA 0.496 5.205 4.660 0.081 0.000 0.340 561 W C 0.849 177.413 176.519 0.075 0.000 1.093 561 W CA -0.869 56.519 57.345 0.072 0.000 1.212 561 W CB 0.734 30.216 29.460 0.037 0.000 1.422 561 W HN -0.081 nan 8.180 nan 0.000 0.515 562 E N 0.521 120.892 120.200 0.285 0.000 2.086 562 E HA -0.340 4.059 4.350 0.082 0.000 0.200 562 E C 2.029 178.682 176.600 0.089 0.000 1.012 562 E CA 1.755 58.243 56.400 0.147 0.000 0.812 562 E CB -0.000 29.765 29.700 0.109 0.000 0.743 562 E HN 0.254 nan 8.360 nan 0.000 0.453 563 R N 1.352 121.912 120.500 0.101 0.000 2.127 563 R HA -0.164 4.225 4.340 0.082 0.000 0.238 563 R C 1.931 178.247 176.300 0.027 0.000 1.134 563 R CA 1.646 57.768 56.100 0.036 0.000 0.975 563 R CB -0.241 30.079 30.300 0.033 0.000 0.865 563 R HN 0.262 nan 8.270 nan 0.000 0.447 564 Q N -1.135 118.737 119.800 0.120 0.000 2.224 564 Q HA 0.004 4.393 4.340 0.082 0.000 0.203 564 Q C 1.282 177.321 176.000 0.064 0.000 0.970 564 Q CA 1.432 57.322 55.803 0.144 0.000 0.865 564 Q CB 0.049 28.954 28.738 0.279 0.000 0.922 564 Q HN 0.431 nan 8.270 nan 0.000 0.445 565 A N 0.148 122.964 122.820 -0.006 0.000 2.423 565 A HA 0.456 4.825 4.320 0.082 0.000 0.246 565 A C 0.567 177.959 177.584 -0.321 0.000 1.278 565 A CA -0.044 51.838 52.037 -0.257 0.000 0.903 565 A CB 0.350 19.216 19.000 -0.223 0.000 0.997 565 A HN 0.186 nan 8.150 nan 0.000 0.510 566 A N 0.419 123.056 122.820 -0.305 0.000 2.478 566 A HA 0.630 4.999 4.320 0.082 0.000 0.327 566 A C -0.802 176.722 177.584 -0.101 0.000 1.431 566 A CA -0.351 51.539 52.037 -0.244 0.000 1.014 566 A CB -0.722 18.049 19.000 -0.381 0.000 1.143 566 A HN 0.263 nan 8.150 nan 0.000 0.532 567 F N 2.277 122.321 119.950 0.156 0.000 2.421 567 F HA 0.355 4.931 4.527 0.082 0.000 0.358 567 F C 1.175 177.095 175.800 0.200 0.000 1.115 567 F CA 0.039 58.140 58.000 0.169 0.000 1.160 567 F CB 0.992 40.043 39.000 0.086 0.000 1.123 567 F HN 0.514 nan 8.300 nan 0.000 0.508 568 R N 2.426 123.094 120.500 0.280 0.000 2.577 568 R HA 0.238 4.627 4.340 0.082 0.000 0.269 568 R C 0.830 177.144 176.300 0.023 0.000 1.084 568 R CA -0.551 55.597 56.100 0.081 0.000 1.163 568 R CB 0.528 30.878 30.300 0.084 0.000 1.100 568 R HN 0.608 nan 8.270 nan 0.000 0.547 569 F N 1.439 121.437 119.950 0.080 0.000 2.269 569 F HA -0.217 4.358 4.527 0.081 0.000 0.301 569 F C 2.728 178.573 175.800 0.075 0.000 1.082 569 F CA 1.970 60.014 58.000 0.073 0.000 1.360 569 F CB -0.221 38.794 39.000 0.025 0.000 1.041 569 F HN 0.647 nan 8.300 nan 0.000 0.512 570 K N 0.780 121.311 120.400 0.218 0.000 2.211 570 K HA -0.065 4.304 4.320 0.082 0.000 0.203 570 K C 1.192 177.881 176.600 0.148 0.000 1.050 570 K CA 0.860 57.240 56.287 0.154 0.000 0.945 570 K CB -0.769 31.799 32.500 0.113 0.000 0.732 570 K HN 0.252 nan 8.250 nan 0.000 0.451 571 R N 0.483 121.084 120.500 0.169 0.000 2.539 571 R HA 0.390 4.779 4.340 0.082 0.000 0.275 571 R C 0.049 176.467 176.300 0.196 0.000 1.077 571 R CA 0.321 56.537 56.100 0.192 0.000 1.097 571 R CB 0.635 31.087 30.300 0.253 0.000 1.018 571 R HN 0.336 nan 8.270 nan 0.000 0.483 572 K N 4.006 124.517 120.400 0.183 0.000 2.363 572 K HA 0.079 4.448 4.320 0.082 0.000 0.289 572 K C -0.409 176.290 176.600 0.165 0.000 1.063 572 K CA -0.193 56.185 56.287 0.152 0.000 0.967 572 K CB 0.210 32.786 32.500 0.128 0.000 0.987 572 K HN 0.402 nan 8.250 nan 0.000 0.473 573 L N 5.080 126.356 121.223 0.089 0.000 2.361 573 L HA 0.316 4.705 4.340 0.082 0.000 0.278 573 L C -2.117 174.725 176.870 -0.046 0.000 1.113 573 L CA -1.982 52.833 54.840 -0.043 0.000 0.849 573 L CB 0.899 42.907 42.059 -0.086 0.000 1.155 573 L HN 0.553 nan 8.230 nan 0.000 0.452 574 P HA 0.112 nan 4.420 nan 0.000 0.269 574 P C 0.062 177.339 177.300 -0.038 0.000 1.215 574 P CA -0.266 62.830 63.100 -0.006 0.000 0.780 574 P CB 0.537 32.252 31.700 0.025 0.000 0.898 575 K N 0.619 121.034 120.400 0.025 0.000 2.217 575 K HA -0.023 4.346 4.320 0.082 0.000 0.202 575 K C 0.079 176.593 176.600 -0.144 0.000 1.051 575 K CA 1.251 57.532 56.287 -0.010 0.000 0.952 575 K CB -0.193 32.359 32.500 0.087 0.000 0.736 575 K HN 0.504 nan 8.250 nan 0.000 0.453 576 Y N 0.609 120.826 120.300 -0.138 0.000 2.345 576 Y HA 0.327 4.927 4.550 0.082 0.000 0.331 576 Y C -0.254 175.501 175.900 -0.242 0.000 0.959 576 Y CA -0.682 57.283 58.100 -0.224 0.000 1.204 576 Y CB 1.037 39.305 38.460 -0.319 0.000 1.135 576 Y HN -0.230 nan 8.280 nan 0.000 0.477 577 L N 6.001 127.138 121.223 -0.143 0.000 2.277 577 L HA 0.528 4.917 4.340 0.082 0.000 0.284 577 L C -0.872 175.935 176.870 -0.105 0.000 1.028 577 L CA -0.324 54.446 54.840 -0.116 0.000 0.835 577 L CB 0.737 42.814 42.059 0.030 0.000 1.215 577 L HN 0.455 nan 8.230 nan 0.000 0.425 578 L N 3.474 124.483 121.223 -0.356 0.000 2.341 578 L HA 0.542 4.931 4.340 0.082 0.000 0.278 578 L C -0.941 175.720 176.870 -0.348 0.000 1.005 578 L CA -0.439 54.272 54.840 -0.215 0.000 0.818 578 L CB 1.921 43.854 42.059 -0.210 0.000 1.259 578 L HN 0.348 nan 8.230 nan 0.000 0.418 579 F N 1.007 121.065 119.950 0.180 0.000 2.388 579 F HA 0.425 5.001 4.527 0.082 0.000 0.358 579 F C 0.717 176.633 175.800 0.193 0.000 1.122 579 F CA -0.638 57.493 58.000 0.218 0.000 1.056 579 F CB 1.880 41.002 39.000 0.203 0.000 1.155 579 F HN 0.344 nan 8.300 nan 0.000 0.461 580 T N -0.657 114.047 114.554 0.250 0.000 2.888 580 T HA 0.595 4.994 4.350 0.082 0.000 0.284 580 T C -0.274 174.533 174.700 0.178 0.000 1.017 580 T CA -0.869 61.352 62.100 0.201 0.000 1.022 580 T CB 1.799 70.740 68.868 0.121 0.000 1.013 580 T HN 0.462 nan 8.240 nan 0.000 0.465 581 S N 1.927 117.720 115.700 0.155 0.000 2.578 581 S HA 0.502 5.021 4.470 0.082 0.000 0.283 581 S C -1.677 172.955 174.600 0.053 0.000 1.195 581 S CA -1.942 56.315 58.200 0.095 0.000 1.050 581 S CB 0.850 64.094 63.200 0.073 0.000 1.012 581 S HN 0.608 nan 8.310 nan 0.000 0.511 582 P HA -0.042 nan 4.420 nan 0.000 0.222 582 P C -0.194 177.098 177.300 -0.014 0.000 1.147 582 P CA 0.742 63.848 63.100 0.010 0.000 0.790 582 P CB -0.042 31.660 31.700 0.004 0.000 0.780 583 Q N 0.633 120.415 119.800 -0.031 0.000 2.315 583 Q HA 0.055 4.444 4.340 0.082 0.000 0.289 583 Q C 0.085 176.039 176.000 -0.077 0.000 1.044 583 Q CA 0.668 56.429 55.803 -0.070 0.000 0.920 583 Q CB 0.291 28.964 28.738 -0.110 0.000 1.214 583 Q HN 0.327 nan 8.270 nan 0.000 0.392 584 E N 1.733 121.878 120.200 -0.092 0.000 2.212 584 E HA 0.132 4.532 4.350 0.082 0.000 0.270 584 E C -0.401 176.112 176.600 -0.145 0.000 0.956 584 E CA -0.860 55.484 56.400 -0.092 0.000 0.825 584 E CB 0.970 30.619 29.700 -0.085 0.000 1.167 584 E HN 0.536 nan 8.360 nan 0.000 0.400 585 N N 1.532 120.150 118.700 -0.135 0.000 2.327 585 N HA 0.106 4.895 4.740 0.082 0.000 0.257 585 N C -2.144 173.164 175.510 -0.338 0.000 1.281 585 N CA -1.531 51.393 53.050 -0.209 0.000 0.942 585 N CB -0.265 38.153 38.487 -0.115 0.000 1.199 585 N HN 0.052 nan 8.380 nan 0.000 0.532 586 P HA 0.019 nan 4.420 nan 0.000 0.228 586 P C -0.077 176.665 177.300 -0.930 0.000 1.151 586 P CA 1.188 63.728 63.100 -0.934 0.000 0.770 586 P CB -0.121 30.748 31.700 -1.385 0.000 0.786 587 W N -2.009 119.286 121.300 -0.008 0.000 3.132 587 W HA 0.464 5.173 4.660 0.082 0.000 0.364 587 W C 1.097 177.583 176.519 -0.056 0.000 1.129 587 W CA -0.003 57.346 57.345 0.006 0.000 1.815 587 W CB -0.138 29.365 29.460 0.072 0.000 1.099 587 W HN -0.081 nan 8.180 nan 0.000 0.605 588 G N 0.499 109.289 108.800 -0.017 0.000 2.141 588 G HA2 -0.235 3.774 3.960 0.082 0.000 0.231 588 G HA3 -0.235 3.774 3.960 0.082 0.000 0.231 588 G C -0.140 174.615 174.900 -0.243 0.000 0.984 588 G CA -0.419 44.600 45.100 -0.135 0.000 0.660 588 G HN 0.401 nan 8.290 nan 0.000 0.525 589 H N 0.439 119.523 119.070 0.023 0.000 2.472 589 H HA 0.344 4.949 4.556 0.082 0.000 0.338 589 H C 0.416 175.745 175.328 0.002 0.000 1.133 589 H CA -0.524 55.536 56.048 0.020 0.000 1.216 589 H CB 1.245 31.018 29.762 0.019 0.000 1.497 589 H HN 0.152 nan 8.280 nan 0.000 0.500 590 K N 2.766 123.249 120.400 0.140 0.000 2.451 590 K HA 0.055 4.424 4.320 0.082 0.000 0.280 590 K C 0.288 176.954 176.600 0.111 0.000 1.020 590 K CA 0.026 56.368 56.287 0.092 0.000 1.008 590 K CB 0.829 33.389 32.500 0.099 0.000 0.917 590 K HN 0.360 nan 8.250 nan 0.000 0.478 591 R N 1.801 122.325 120.500 0.040 0.000 2.421 591 R HA 0.037 4.426 4.340 0.082 0.000 0.305 591 R C 0.175 176.618 176.300 0.238 0.000 1.039 591 R CA 0.058 56.178 56.100 0.034 0.000 1.003 591 R CB 0.432 30.586 30.300 -0.243 0.000 0.959 591 R HN 0.713 nan 8.270 nan 0.000 0.427 592 S N 2.126 118.053 115.700 0.379 0.000 2.638 592 S HA 0.482 5.001 4.470 0.082 0.000 0.274 592 S C -1.489 173.372 174.600 0.436 0.000 1.157 592 S CA -0.938 57.519 58.200 0.428 0.000 0.826 592 S CB 1.313 64.727 63.200 0.356 0.000 1.139 592 S HN 0.474 nan 8.310 nan 0.000 0.474 593 Y N 0.454 120.914 120.300 0.266 0.000 2.409 593 Y HA 0.631 5.231 4.550 0.082 0.000 0.343 593 Y C 0.297 176.338 175.900 0.236 0.000 0.973 593 Y CA -0.648 57.562 58.100 0.184 0.000 1.064 593 Y CB 1.975 40.471 38.460 0.060 0.000 1.207 593 Y HN 0.858 nan 8.280 nan 0.000 0.452 594 R N 3.846 124.469 120.500 0.207 0.000 2.407 594 R HA 0.589 4.978 4.340 0.082 0.000 0.303 594 R C -1.821 174.577 176.300 0.164 0.000 0.981 594 R CA -0.884 55.289 56.100 0.122 0.000 0.905 594 R CB 0.971 31.242 30.300 -0.048 0.000 1.099 594 R HN 0.676 nan 8.270 nan 0.000 0.459 595 L N 3.474 124.803 121.223 0.176 0.000 2.296 595 L HA 0.367 4.756 4.340 0.082 0.000 0.286 595 L C -1.087 175.808 176.870 0.042 0.000 1.023 595 L CA 0.091 55.014 54.840 0.137 0.000 0.812 595 L CB 1.596 43.758 42.059 0.171 0.000 1.223 595 L HN 0.696 nan 8.230 nan 0.000 0.421 596 Q N 5.219 125.051 119.800 0.054 0.000 2.309 596 Q HA 0.528 4.918 4.340 0.082 0.000 0.270 596 Q C -1.537 174.519 176.000 0.093 0.000 1.023 596 Q CA -0.498 55.310 55.803 0.010 0.000 0.758 596 Q CB 1.390 30.105 28.738 -0.038 0.000 1.247 596 Q HN 0.775 nan 8.270 nan 0.000 0.455 597 I N 3.215 123.833 120.570 0.081 0.000 2.353 597 I HA 0.223 4.442 4.170 0.082 0.000 0.293 597 I C -0.132 176.081 176.117 0.161 0.000 0.992 597 I CA -0.626 60.760 61.300 0.144 0.000 1.268 597 I CB 1.112 39.173 38.000 0.100 0.000 1.387 597 I HN 0.558 nan 8.210 nan 0.000 0.478 598 H N 5.989 125.104 119.070 0.075 0.000 2.623 598 H HA 0.506 5.111 4.556 0.082 0.000 0.299 598 H C -1.185 174.185 175.328 0.070 0.000 1.052 598 H CA -0.061 56.009 56.048 0.036 0.000 1.231 598 H CB 1.300 31.052 29.762 -0.018 0.000 1.389 598 H HN 0.629 nan 8.280 nan 0.000 0.469 599 S N 4.187 119.759 115.700 -0.213 0.000 2.552 599 S HA 0.297 4.816 4.470 0.082 0.000 0.272 599 S C -0.727 173.823 174.600 -0.082 0.000 1.150 599 S CA -0.686 57.468 58.200 -0.078 0.000 0.849 599 S CB 1.259 64.536 63.200 0.129 0.000 1.113 599 S HN 0.639 nan 8.310 nan 0.000 0.458 600 M N 2.694 122.286 119.600 -0.012 0.000 2.692 600 M HA 0.491 5.020 4.480 0.082 0.000 0.372 600 M C 0.254 176.560 176.300 0.011 0.000 1.192 600 M CA -0.003 55.297 55.300 0.001 0.000 0.928 600 M CB 0.613 33.208 32.600 -0.007 0.000 1.366 600 M HN 0.642 nan 8.290 nan 0.000 0.517 601 A N 0.077 122.916 122.820 0.031 0.000 2.313 601 A HA 0.624 4.993 4.320 0.082 0.000 0.261 601 A C -0.123 177.147 177.584 -0.524 0.000 1.090 601 A CA 0.001 51.958 52.037 -0.133 0.000 0.807 601 A CB 0.475 19.499 19.000 0.041 0.000 1.055 601 A HN 0.354 nan 8.150 nan 0.000 0.492 602 D N -1.601 118.256 120.400 -0.905 0.000 2.665 602 D HA 0.347 5.036 4.640 0.082 0.000 0.287 602 D C -1.056 174.613 176.300 -1.051 0.000 1.266 602 D CA -0.408 52.885 54.000 -1.179 0.000 0.830 602 D CB 1.282 41.813 40.800 -0.447 0.000 1.356 602 D HN 0.419 nan 8.370 nan 0.000 0.437 603 Q N 0.499 119.931 119.800 -0.613 0.000 2.289 603 Q HA 0.292 4.681 4.340 0.082 0.000 0.273 603 Q C -0.152 175.726 176.000 -0.204 0.000 1.029 603 Q CA 0.427 56.089 55.803 -0.236 0.000 0.896 603 Q CB 1.084 29.798 28.738 -0.041 0.000 1.182 603 Q HN 0.272 nan 8.270 nan 0.000 0.385 604 V N 4.094 123.903 119.914 -0.175 0.000 2.602 604 V HA 0.155 4.324 4.120 0.082 0.000 0.235 604 V C 0.671 176.710 176.094 -0.091 0.000 1.087 604 V CA 0.335 62.551 62.300 -0.140 0.000 1.117 604 V CB -0.213 31.519 31.823 -0.151 0.000 0.820 604 V HN 0.647 nan 8.190 nan 0.000 0.490 605 L N 1.322 122.497 121.223 -0.081 0.000 2.379 605 L HA 0.387 4.776 4.340 0.082 0.000 0.269 605 L C -2.464 174.399 176.870 -0.012 0.000 1.084 605 L CA -1.709 53.116 54.840 -0.026 0.000 0.802 605 L CB 0.503 42.563 42.059 0.001 0.000 1.175 605 L HN 0.130 nan 8.230 nan 0.000 0.448 606 P HA 0.174 nan 4.420 nan 0.000 0.271 606 P C -2.496 174.846 177.300 0.071 0.000 1.220 606 P CA -1.260 61.858 63.100 0.030 0.000 0.768 606 P CB 0.051 31.757 31.700 0.010 0.000 0.848 607 P HA 0.040 nan 4.420 nan 0.000 0.261 607 P C 1.081 178.428 177.300 0.079 0.000 1.183 607 P CA 1.402 64.518 63.100 0.027 0.000 0.761 607 P CB 0.052 31.754 31.700 0.004 0.000 0.785 608 G N 2.125 110.971 108.800 0.075 0.000 2.195 608 G HA2 -0.208 3.801 3.960 0.082 0.000 0.246 608 G HA3 -0.208 3.801 3.960 0.082 0.000 0.246 608 G C -0.311 174.681 174.900 0.154 0.000 0.984 608 G CA -0.519 44.636 45.100 0.093 0.000 0.633 608 G HN 0.591 nan 8.290 nan 0.000 0.525 609 W N 2.674 123.972 121.300 -0.003 0.000 2.357 609 W HA 0.482 5.191 4.660 0.083 0.000 0.317 609 W C 0.875 177.413 176.519 0.032 0.000 1.101 609 W CA 0.202 57.557 57.345 0.016 0.000 1.380 609 W CB 0.270 29.736 29.460 0.009 0.000 1.266 609 W HN 0.433 nan 8.180 nan 0.000 0.419 610 Q N 2.546 122.000 119.800 -0.577 0.000 2.224 610 Q HA -0.380 4.009 4.340 0.082 0.000 0.415 610 Q C 1.289 177.169 176.000 -0.200 0.000 0.619 610 Q CA 2.755 58.288 55.803 -0.450 0.000 0.957 610 Q CB -1.119 27.142 28.738 -0.795 0.000 2.552 610 Q HN 0.646 nan 8.270 nan 0.000 0.903 611 E N 1.201 121.259 120.200 -0.237 0.000 2.333 611 E HA -0.097 4.302 4.350 0.082 0.000 0.198 611 E C 1.658 178.133 176.600 -0.208 0.000 1.007 611 E CA 0.932 57.115 56.400 -0.361 0.000 0.845 611 E CB -0.114 29.376 29.700 -0.350 0.000 0.766 611 E HN 0.353 nan 8.360 nan 0.000 0.507 612 E N 0.742 120.877 120.200 -0.108 0.000 2.267 612 E HA -0.278 4.121 4.350 0.082 0.000 0.197 612 E C 1.729 178.258 176.600 -0.119 0.000 0.998 612 E CA 0.893 57.236 56.400 -0.096 0.000 0.830 612 E CB 0.099 29.791 29.700 -0.015 0.000 0.751 612 E HN 0.224 nan 8.360 nan 0.000 0.491 613 Q N 0.164 119.901 119.800 -0.104 0.000 2.234 613 Q HA -0.100 4.289 4.340 0.082 0.000 0.206 613 Q C 1.714 177.668 176.000 -0.076 0.000 0.980 613 Q CA 1.679 57.433 55.803 -0.081 0.000 0.869 613 Q CB -0.347 28.351 28.738 -0.067 0.000 0.912 613 Q HN 0.304 nan 8.270 nan 0.000 0.436 614 A N -0.001 122.763 122.820 -0.094 0.000 2.119 614 A HA 0.101 4.471 4.320 0.082 0.000 0.216 614 A C 1.289 178.902 177.584 0.049 0.000 1.152 614 A CA 0.920 52.976 52.037 0.033 0.000 0.708 614 A CB -0.303 18.698 19.000 0.001 0.000 0.805 614 A HN 0.536 nan 8.150 nan 0.000 0.460 615 I N -3.586 116.844 120.570 -0.233 0.000 3.083 615 I HA 0.225 4.444 4.170 0.082 0.000 0.336 615 I C 1.013 176.638 176.117 -0.819 0.000 1.497 615 I CA 0.337 61.186 61.300 -0.752 0.000 0.936 615 I CB -0.035 37.493 38.000 -0.786 0.000 1.671 615 I HN 0.033 nan 8.210 nan 0.000 0.535 616 T N -1.879 112.440 114.554 -0.391 0.000 2.962 616 T HA -0.153 4.246 4.350 0.082 0.000 0.270 616 T C 1.570 176.191 174.700 -0.131 0.000 1.088 616 T CA 1.163 63.150 62.100 -0.188 0.000 1.127 616 T CB -0.492 68.382 68.868 0.011 0.000 0.883 616 T HN 0.773 nan 8.240 nan 0.000 0.493 617 W N 1.987 123.143 121.300 -0.240 0.000 2.364 617 W HA 0.119 4.827 4.660 0.081 0.000 0.281 617 W C 1.886 178.184 176.519 -0.368 0.000 1.219 617 W CA 0.446 57.378 57.345 -0.688 0.000 1.220 617 W CB -1.082 27.460 29.460 -1.529 0.000 1.127 617 W HN 0.386 nan 8.180 nan 0.000 0.556 618 A N 1.463 123.935 122.820 -0.580 0.000 2.235 618 A HA 0.025 4.394 4.320 0.082 0.000 0.208 618 A C 2.037 179.598 177.584 -0.038 0.000 1.172 618 A CA 0.333 52.190 52.037 -0.300 0.000 0.786 618 A CB -0.707 17.861 19.000 -0.721 0.000 0.804 618 A HN 0.366 nan 8.150 nan 0.000 0.479 619 R N -1.573 118.786 120.500 -0.236 0.000 2.236 619 R HA 0.025 4.414 4.340 0.082 0.000 0.208 619 R C -0.695 175.243 176.300 -0.602 0.000 1.036 619 R CA 0.679 56.524 56.100 -0.425 0.000 1.001 619 R CB -0.046 29.743 30.300 -0.851 0.000 0.896 619 R HN 0.617 nan 8.270 nan 0.000 0.464 620 Y N 0.061 120.339 120.300 -0.036 0.000 2.332 620 Y HA 0.256 4.855 4.550 0.081 0.000 0.326 620 Y C -1.709 174.069 175.900 -0.203 0.000 0.978 620 Y CA -2.878 55.143 58.100 -0.133 0.000 1.205 620 Y CB 1.709 40.212 38.460 0.073 0.000 1.131 620 Y HN -0.151 nan 8.280 nan 0.000 0.462 621 P HA -0.162 nan 4.420 nan 0.000 0.216 621 P C -0.180 177.162 177.300 0.071 0.000 1.150 621 P CA 1.205 64.199 63.100 -0.176 0.000 0.837 621 P CB 0.841 32.370 31.700 -0.285 0.000 0.786 622 L N -1.560 119.742 121.223 0.132 0.000 2.470 622 L HA 0.736 5.125 4.340 0.082 0.000 0.268 622 L C -1.610 175.443 176.870 0.306 0.000 0.964 622 L CA -1.105 53.848 54.840 0.188 0.000 0.839 622 L CB 1.966 44.067 42.059 0.071 0.000 1.276 622 L HN -0.106 nan 8.230 nan 0.000 0.403 623 A N 4.154 127.149 122.820 0.292 0.000 2.435 623 A HA 0.890 5.259 4.320 0.082 0.000 0.304 623 A C -1.678 176.098 177.584 0.320 0.000 1.064 623 A CA -0.590 51.583 52.037 0.226 0.000 0.727 623 A CB 2.039 21.144 19.000 0.174 0.000 1.284 623 A HN 0.532 nan 8.150 nan 0.000 0.415 624 V N 1.875 121.889 119.914 0.166 0.000 2.487 624 V HA 0.719 4.888 4.120 0.082 0.000 0.298 624 V C 0.258 176.482 176.094 0.217 0.000 1.028 624 V CA -0.051 62.350 62.300 0.169 0.000 0.860 624 V CB 1.635 33.403 31.823 -0.091 0.000 0.991 624 V HN 1.176 nan 8.190 nan 0.000 0.427 625 T N 1.158 115.911 114.554 0.330 0.000 2.924 625 T HA 0.579 4.978 4.350 0.082 0.000 0.291 625 T C -0.550 174.274 174.700 0.206 0.000 1.045 625 T CA -0.927 61.337 62.100 0.273 0.000 1.015 625 T CB 1.913 71.017 68.868 0.393 0.000 1.103 625 T HN 0.567 nan 8.240 nan 0.000 0.496 626 K N 1.512 122.002 120.400 0.149 0.000 2.322 626 K HA 0.161 4.530 4.320 0.082 0.000 0.283 626 K C -0.610 176.066 176.600 0.127 0.000 1.042 626 K CA -0.679 55.689 56.287 0.135 0.000 0.958 626 K CB 0.176 32.739 32.500 0.106 0.000 0.984 626 K HN 0.693 nan 8.250 nan 0.000 0.473 627 Y N 4.425 124.748 120.300 0.038 0.000 2.805 627 Y HA -0.086 4.513 4.550 0.082 0.000 0.331 627 Y C -0.484 175.413 175.900 -0.005 0.000 1.241 627 Y CA 0.915 59.023 58.100 0.013 0.000 1.546 627 Y CB 0.434 38.883 38.460 -0.017 0.000 1.248 627 Y HN 0.543 nan 8.280 nan 0.000 0.559 628 R N 4.832 125.006 120.500 -0.544 0.000 2.604 628 R HA 0.142 4.531 4.340 0.082 0.000 0.281 628 R C 0.525 176.513 176.300 -0.519 0.000 1.020 628 R CA -0.900 54.983 56.100 -0.362 0.000 0.899 628 R CB 1.656 31.812 30.300 -0.239 0.000 1.205 628 R HN 0.639 nan 8.270 nan 0.000 0.450 629 E N 0.684 120.754 120.200 -0.216 0.000 2.265 629 E HA -0.126 4.273 4.350 0.082 0.000 0.196 629 E C 1.206 177.752 176.600 -0.090 0.000 0.996 629 E CA 1.660 58.001 56.400 -0.099 0.000 0.832 629 E CB 0.160 29.891 29.700 0.051 0.000 0.756 629 E HN 0.598 nan 8.360 nan 0.000 0.491 630 S N -0.232 115.394 115.700 -0.123 0.000 2.593 630 S HA 0.059 4.578 4.470 0.082 0.000 0.217 630 S C 0.843 175.339 174.600 -0.173 0.000 0.966 630 S CA 0.010 58.153 58.200 -0.094 0.000 0.914 630 S CB 0.062 63.214 63.200 -0.080 0.000 0.776 630 S HN 0.117 nan 8.310 nan 0.000 0.523 631 E N 0.538 120.559 120.200 -0.298 0.000 3.575 631 E HA 0.334 4.733 4.350 0.082 0.000 0.201 631 E C 0.214 176.773 176.600 -0.068 0.000 0.999 631 E CA -0.050 56.041 56.400 -0.515 0.000 1.315 631 E CB 0.487 29.511 29.700 -1.126 0.000 1.146 631 E HN 0.396 nan 8.360 nan 0.000 0.453 632 L N -0.334 120.928 121.223 0.065 0.000 2.341 632 L HA 0.131 4.520 4.340 0.082 0.000 0.214 632 L C 0.615 177.701 176.870 0.360 0.000 1.115 632 L CA 0.551 55.485 54.840 0.157 0.000 0.820 632 L CB 0.254 42.388 42.059 0.125 0.000 0.944 632 L HN 0.241 nan 8.230 nan 0.000 0.452 633 C N -1.237 118.322 119.300 0.431 0.000 2.626 633 C HA 0.280 4.789 4.460 0.082 0.000 0.310 633 C C 1.538 176.829 174.990 0.503 0.000 1.191 633 C CA -0.738 58.546 59.018 0.442 0.000 1.517 633 C CB 1.837 29.740 27.740 0.271 0.000 2.102 633 C HN 0.386 nan 8.230 nan 0.000 0.479 634 S N 0.270 116.210 115.700 0.400 0.000 2.524 634 S HA 0.126 4.645 4.470 0.082 0.000 0.216 634 S C 0.584 175.198 174.600 0.024 0.000 0.987 634 S CA 0.303 58.606 58.200 0.171 0.000 0.909 634 S CB 0.107 63.321 63.200 0.023 0.000 0.781 634 S HN 0.741 nan 8.310 nan 0.000 0.521 635 S N 0.256 115.921 115.700 -0.058 0.000 2.911 635 S HA 0.830 5.349 4.470 0.082 0.000 0.319 635 S C -1.171 173.291 174.600 -0.229 0.000 1.154 635 S CA 0.079 58.030 58.200 -0.414 0.000 0.857 635 S CB 1.511 64.543 63.200 -0.281 0.000 1.279 635 S HN 0.883 nan 8.310 nan 0.000 0.593 636 S N -0.375 115.182 115.700 -0.237 0.000 2.615 636 S HA 0.323 4.842 4.470 0.082 0.000 0.268 636 S C 0.705 175.370 174.600 0.108 0.000 1.146 636 S CA -0.263 58.011 58.200 0.123 0.000 0.818 636 S CB -0.063 63.399 63.200 0.436 0.000 1.111 636 S HN 1.132 nan 8.310 nan 0.000 0.465 637 I N -1.265 119.279 120.570 -0.044 0.000 2.916 637 I HA 0.050 4.269 4.170 0.082 0.000 0.267 637 I C 1.227 177.205 176.117 -0.232 0.000 1.263 637 I CA 0.913 62.122 61.300 -0.151 0.000 1.471 637 I CB -0.611 37.268 38.000 -0.201 0.000 1.089 637 I HN 0.672 nan 8.210 nan 0.000 0.468 638 Y N -0.077 120.349 120.300 0.210 0.000 2.500 638 Y HA 0.082 4.680 4.550 0.079 0.000 0.270 638 Y C 2.247 178.225 175.900 0.131 0.000 1.134 638 Y CA 0.277 58.457 58.100 0.133 0.000 1.293 638 Y CB -0.498 38.027 38.460 0.109 0.000 1.063 638 Y HN 0.143 nan 8.280 nan 0.000 0.534 639 H N -0.114 119.053 119.070 0.162 0.000 2.387 639 H HA -0.176 4.428 4.556 0.081 0.000 0.299 639 H C 2.167 177.527 175.328 0.053 0.000 1.090 639 H CA 1.778 57.892 56.048 0.110 0.000 1.332 639 H CB -0.122 29.719 29.762 0.132 0.000 1.386 639 H HN 0.229 nan 8.280 nan 0.000 0.516 640 Q N 0.666 120.586 119.800 0.199 0.000 2.077 640 Q HA -0.149 4.240 4.340 0.082 0.000 0.206 640 Q C 1.183 177.204 176.000 0.034 0.000 0.989 640 Q CA 1.956 57.843 55.803 0.140 0.000 0.853 640 Q CB -0.081 28.755 28.738 0.164 0.000 0.907 640 Q HN 0.329 nan 8.270 nan 0.000 0.418 641 N N -0.232 118.479 118.700 0.018 0.000 2.299 641 N HA 0.036 4.825 4.740 0.082 0.000 0.187 641 N C -0.750 174.800 175.510 0.066 0.000 1.099 641 N CA 0.453 53.506 53.050 0.005 0.000 0.867 641 N CB 0.613 39.069 38.487 -0.052 0.000 0.974 641 N HN 0.177 nan 8.380 nan 0.000 0.477 642 D N 0.165 120.601 120.400 0.060 0.000 2.513 642 D HA 0.196 4.885 4.640 0.082 0.000 0.295 642 D C -2.018 174.239 176.300 -0.073 0.000 1.202 642 D CA -1.744 52.333 54.000 0.128 0.000 0.849 642 D CB 1.244 42.193 40.800 0.249 0.000 1.116 642 D HN 0.009 nan 8.370 nan 0.000 0.502 643 P HA -0.008 nan 4.420 nan 0.000 0.233 643 P C 1.369 178.436 177.300 -0.389 0.000 1.167 643 P CA 0.305 63.146 63.100 -0.431 0.000 0.770 643 P CB 0.146 31.495 31.700 -0.585 0.000 0.837 644 W N 0.456 121.720 121.300 -0.061 0.000 2.453 644 W HA 0.050 4.757 4.660 0.080 0.000 0.289 644 W C 0.454 176.924 176.519 -0.080 0.000 1.215 644 W CA 0.718 58.012 57.345 -0.085 0.000 1.297 644 W CB -0.547 28.863 29.460 -0.083 0.000 1.113 644 W HN 0.072 nan 8.180 nan 0.000 0.551 645 D N -0.499 119.995 120.400 0.157 0.000 2.772 645 D HA 0.197 4.886 4.640 0.082 0.000 0.326 645 D C -2.578 173.644 176.300 -0.130 0.000 1.207 645 D CA -1.852 52.178 54.000 0.049 0.000 0.777 645 D CB 0.780 41.690 40.800 0.182 0.000 1.169 645 D HN -0.177 nan 8.370 nan 0.000 0.506 646 P HA 0.303 nan 4.420 nan 0.000 0.276 646 P C -1.989 175.096 177.300 -0.359 0.000 1.252 646 P CA -1.120 61.719 63.100 -0.435 0.000 0.802 646 P CB 1.046 32.233 31.700 -0.855 0.000 1.035 647 P HA 0.007 nan 4.420 nan 0.000 0.229 647 P C 0.001 177.336 177.300 0.058 0.000 1.160 647 P CA 0.832 63.857 63.100 -0.126 0.000 0.777 647 P CB 0.368 32.043 31.700 -0.043 0.000 0.814 648 V N 0.680 120.707 119.914 0.189 0.000 2.483 648 V HA 0.256 4.425 4.120 0.082 0.000 0.297 648 V C -0.257 175.968 176.094 0.218 0.000 1.027 648 V CA -0.777 61.690 62.300 0.278 0.000 0.855 648 V CB 2.756 34.816 31.823 0.396 0.000 0.995 648 V HN -0.329 nan 8.190 nan 0.000 0.424 649 V N 5.204 125.156 119.914 0.064 0.000 2.349 649 V HA 0.261 4.430 4.120 0.082 0.000 0.284 649 V C 0.703 176.648 176.094 -0.248 0.000 1.014 649 V CA -0.270 62.019 62.300 -0.017 0.000 0.826 649 V CB 1.061 32.867 31.823 -0.027 0.000 1.009 649 V HN 0.858 nan 8.190 nan 0.000 0.431 650 F N 3.540 123.206 119.950 -0.474 0.000 2.120 650 F HA -0.222 4.354 4.527 0.081 0.000 0.300 650 F C 2.182 177.617 175.800 -0.608 0.000 1.095 650 F CA 2.494 59.918 58.000 -0.960 0.000 1.249 650 F CB 0.188 38.870 39.000 -0.529 0.000 0.995 650 F HN 0.668 nan 8.300 nan 0.000 0.480 651 E N 0.464 120.585 120.200 -0.132 0.000 2.147 651 E HA -0.292 4.107 4.350 0.082 0.000 0.199 651 E C 2.043 178.576 176.600 -0.112 0.000 1.005 651 E CA 1.969 58.349 56.400 -0.034 0.000 0.810 651 E CB -0.426 29.326 29.700 0.087 0.000 0.736 651 E HN 0.645 nan 8.360 nan 0.000 0.460 652 Q N -1.144 118.584 119.800 -0.120 0.000 2.226 652 Q HA -0.125 4.264 4.340 0.082 0.000 0.204 652 Q C 1.641 177.715 176.000 0.122 0.000 0.975 652 Q CA 0.980 56.791 55.803 0.013 0.000 0.866 652 Q CB -0.175 28.580 28.738 0.028 0.000 0.915 652 Q HN 0.353 nan 8.270 nan 0.000 0.440 653 F N 0.244 120.029 119.950 -0.275 0.000 2.307 653 F HA -0.130 4.446 4.527 0.081 0.000 0.301 653 F C 1.710 177.377 175.800 -0.222 0.000 1.076 653 F CA 0.833 58.645 58.000 -0.313 0.000 1.383 653 F CB -0.444 38.178 39.000 -0.628 0.000 1.055 653 F HN 0.088 nan 8.300 nan 0.000 0.526 654 L N -1.667 119.538 121.223 -0.030 0.000 2.585 654 L HA 0.001 4.390 4.340 0.082 0.000 0.226 654 L C 2.394 179.287 176.870 0.039 0.000 1.113 654 L CA 0.166 54.991 54.840 -0.024 0.000 0.876 654 L CB -0.681 41.324 42.059 -0.089 0.000 1.072 654 L HN 0.171 nan 8.230 nan 0.000 0.468 655 H N 2.214 121.279 119.070 -0.007 0.000 2.387 655 H HA -0.145 4.460 4.556 0.082 0.000 0.299 655 H C 1.595 176.925 175.328 0.002 0.000 1.090 655 H CA 1.957 58.006 56.048 0.001 0.000 1.332 655 H CB 0.317 30.083 29.762 0.007 0.000 1.386 655 H HN 0.489 nan 8.280 nan 0.000 0.516 656 N N 0.648 119.353 118.700 0.008 0.000 2.521 656 N HA -0.149 4.641 4.740 0.082 0.000 0.188 656 N C 0.145 175.637 175.510 -0.030 0.000 1.146 656 N CA 0.619 53.649 53.050 -0.033 0.000 0.893 656 N CB -0.848 37.663 38.487 0.041 0.000 0.975 656 N HN 0.168 nan 8.380 nan 0.000 0.451 657 N N 1.087 119.781 118.700 -0.011 0.000 2.669 657 N HA -0.211 4.578 4.740 0.082 0.000 0.266 657 N C -1.268 174.345 175.510 0.172 0.000 1.024 657 N CA 0.560 53.633 53.050 0.039 0.000 0.766 657 N CB -1.080 37.368 38.487 -0.066 0.000 0.898 657 N HN 0.576 nan 8.380 nan 0.000 0.548 658 E N 0.273 120.597 120.200 0.207 0.000 2.371 658 E HA 0.110 4.509 4.350 0.082 0.000 0.257 658 E C 0.493 177.329 176.600 0.394 0.000 1.134 658 E CA -0.789 55.778 56.400 0.278 0.000 0.919 658 E CB 0.498 30.294 29.700 0.161 0.000 1.025 658 E HN 0.352 nan 8.360 nan 0.000 0.438 659 N N 2.191 121.083 118.700 0.320 0.000 2.483 659 N HA 0.000 4.790 4.740 0.082 0.000 0.264 659 N C 0.042 175.531 175.510 -0.034 0.000 1.197 659 N CA 0.188 53.196 53.050 -0.070 0.000 0.927 659 N CB 0.490 38.852 38.487 -0.208 0.000 1.065 659 N HN 0.475 nan 8.380 nan 0.000 0.461 660 I N -0.360 120.157 120.570 -0.088 0.000 3.856 660 I HA 0.350 4.569 4.170 0.082 0.000 0.330 660 I C -0.634 175.483 176.117 0.001 0.000 1.546 660 I CA -0.564 60.744 61.300 0.014 0.000 1.132 660 I CB 0.151 38.202 38.000 0.086 0.000 1.157 660 I HN 0.223 nan 8.210 nan 0.000 0.440 661 E N 1.930 122.082 120.200 -0.081 0.000 2.167 661 E HA 0.225 4.624 4.350 0.082 0.000 0.284 661 E C -0.454 176.136 176.600 -0.017 0.000 1.016 661 E CA -0.739 55.628 56.400 -0.054 0.000 0.817 661 E CB 0.599 30.226 29.700 -0.122 0.000 1.080 661 E HN 0.313 nan 8.360 nan 0.000 0.397 662 N N 2.976 121.688 118.700 0.020 0.000 2.696 662 N HA -0.178 4.611 4.740 0.082 0.000 0.256 662 N C -1.352 174.176 175.510 0.030 0.000 1.031 662 N CA 0.813 53.879 53.050 0.027 0.000 0.730 662 N CB -0.359 38.133 38.487 0.010 0.000 0.894 662 N HN 0.458 nan 8.380 nan 0.000 0.544 663 E N -0.333 119.897 120.200 0.050 0.000 2.410 663 E HA 0.234 4.633 4.350 0.082 0.000 0.269 663 E C -0.936 175.705 176.600 0.068 0.000 0.937 663 E CA -0.728 55.705 56.400 0.054 0.000 0.793 663 E CB 0.681 30.418 29.700 0.062 0.000 1.314 663 E HN 0.228 nan 8.360 nan 0.000 0.447 664 D N 1.581 122.016 120.400 0.058 0.000 2.344 664 D HA 0.202 4.891 4.640 0.082 0.000 0.253 664 D C -0.648 175.722 176.300 0.116 0.000 1.255 664 D CA 0.074 54.103 54.000 0.049 0.000 0.894 664 D CB -0.044 40.742 40.800 -0.024 0.000 1.067 664 D HN 0.227 nan 8.370 nan 0.000 0.492 665 L N 2.904 124.196 121.223 0.116 0.000 2.334 665 L HA 0.541 4.930 4.340 0.082 0.000 0.275 665 L C -0.209 176.703 176.870 0.070 0.000 1.036 665 L CA -1.207 53.718 54.840 0.140 0.000 0.807 665 L CB 1.973 44.163 42.059 0.219 0.000 1.231 665 L HN 0.056 nan 8.230 nan 0.000 0.438 666 V N 1.543 121.489 119.914 0.053 0.000 2.483 666 V HA 0.585 4.754 4.120 0.082 0.000 0.297 666 V C 0.124 176.105 176.094 -0.188 0.000 1.027 666 V CA -0.625 61.586 62.300 -0.147 0.000 0.855 666 V CB 1.644 33.342 31.823 -0.209 0.000 0.995 666 V HN 0.872 nan 8.190 nan 0.000 0.424 667 A N 4.495 127.098 122.820 -0.361 0.000 2.310 667 A HA 0.803 5.172 4.320 0.082 0.000 0.299 667 A C -1.334 176.049 177.584 -0.335 0.000 1.147 667 A CA -0.318 51.572 52.037 -0.245 0.000 0.818 667 A CB 0.492 19.235 19.000 -0.428 0.000 1.096 667 A HN 0.821 nan 8.150 nan 0.000 0.495 668 W N 1.317 122.594 121.300 -0.037 0.000 2.739 668 W HA 0.554 5.263 4.660 0.081 0.000 0.331 668 W C -0.938 175.507 176.519 -0.123 0.000 1.049 668 W CA -0.546 56.726 57.345 -0.122 0.000 1.234 668 W CB 2.072 31.583 29.460 0.085 0.000 1.404 668 W HN 0.420 nan 8.180 nan 0.000 0.477 669 V N 2.862 122.752 119.914 -0.040 0.000 2.487 669 V HA 0.497 4.666 4.120 0.082 0.000 0.298 669 V C -0.227 176.031 176.094 0.274 0.000 1.028 669 V CA -0.791 61.534 62.300 0.040 0.000 0.860 669 V CB 1.798 33.471 31.823 -0.250 0.000 0.991 669 V HN 0.502 nan 8.190 nan 0.000 0.427 670 T N 4.980 119.781 114.554 0.411 0.000 2.767 670 T HA 0.627 5.026 4.350 0.082 0.000 0.288 670 T C -0.208 174.765 174.700 0.455 0.000 0.963 670 T CA -0.331 62.101 62.100 0.553 0.000 1.019 670 T CB 1.340 70.585 68.868 0.628 0.000 0.923 670 T HN 0.740 nan 8.240 nan 0.000 0.468 671 V N 0.616 120.802 119.914 0.452 0.000 3.001 671 V HA 1.113 5.282 4.120 0.082 0.000 0.314 671 V C 0.028 176.311 176.094 0.315 0.000 1.099 671 V CA -0.514 62.005 62.300 0.366 0.000 0.989 671 V CB 1.646 33.684 31.823 0.359 0.000 1.040 671 V HN 1.112 nan 8.190 nan 0.000 0.434 672 G N 1.478 110.429 108.800 0.252 0.000 2.321 672 G HA2 0.711 4.720 3.960 0.082 0.000 0.296 672 G HA3 0.711 4.720 3.960 0.082 0.000 0.296 672 G C -1.559 173.500 174.900 0.266 0.000 1.287 672 G CA -0.047 45.174 45.100 0.201 0.000 0.846 672 G HN 2.183 nan 8.290 nan 0.000 0.508 673 F N -1.890 118.070 119.950 0.016 0.000 2.688 673 F HA 0.714 5.290 4.527 0.082 0.000 0.308 673 F C -1.246 174.552 175.800 -0.002 0.000 1.117 673 F CA -1.411 56.572 58.000 -0.028 0.000 0.976 673 F CB 1.334 40.292 39.000 -0.070 0.000 1.291 673 F HN 0.631 nan 8.300 nan 0.000 0.439 674 L N 3.470 124.744 121.223 0.085 0.000 2.410 674 L HA 0.342 4.731 4.340 0.082 0.000 0.273 674 L C -0.642 176.317 176.870 0.148 0.000 1.152 674 L CA 0.391 55.231 54.840 -0.001 0.000 0.855 674 L CB 0.190 42.241 42.059 -0.013 0.000 1.129 674 L HN 0.865 nan 8.230 nan 0.000 0.463 675 H N 5.868 124.826 119.070 -0.188 0.000 2.792 675 H HA 0.414 5.019 4.556 0.082 0.000 0.298 675 H C -0.908 174.307 175.328 -0.189 0.000 1.042 675 H CA -0.942 55.038 56.048 -0.113 0.000 1.300 675 H CB 0.753 30.413 29.762 -0.171 0.000 1.431 675 H HN 0.640 nan 8.280 nan 0.000 0.496 676 I N 7.944 128.627 120.570 0.189 0.000 2.301 676 I HA 0.197 4.416 4.170 0.082 0.000 0.292 676 I C -2.155 174.116 176.117 0.258 0.000 1.046 676 I CA -1.977 59.395 61.300 0.120 0.000 1.282 676 I CB 1.253 39.310 38.000 0.096 0.000 1.409 676 I HN 0.476 nan 8.210 nan 0.000 0.484 677 P HA 0.164 nan 4.420 nan 0.000 0.272 677 P C -1.312 176.135 177.300 0.245 0.000 1.230 677 P CA 0.077 63.259 63.100 0.137 0.000 0.788 677 P CB 0.469 32.175 31.700 0.011 0.000 0.949 678 H N -3.284 115.866 119.070 0.134 0.000 2.977 678 H HA 0.454 5.059 4.556 0.082 0.000 0.350 678 H C 0.824 176.193 175.328 0.069 0.000 1.238 678 H CA -0.860 55.236 56.048 0.081 0.000 1.124 678 H CB 0.492 30.297 29.762 0.071 0.000 1.866 678 H HN 0.181 nan 8.280 nan 0.000 0.550 679 S N -0.074 115.689 115.700 0.105 0.000 2.419 679 S HA -0.202 4.317 4.470 0.082 0.000 0.233 679 S C 1.050 175.655 174.600 0.007 0.000 1.016 679 S CA 1.446 59.664 58.200 0.030 0.000 0.974 679 S CB -0.480 62.731 63.200 0.018 0.000 0.786 679 S HN 0.707 nan 8.310 nan 0.000 0.492 680 E N 1.548 121.769 120.200 0.035 0.000 2.409 680 E HA 0.003 4.402 4.350 0.082 0.000 0.198 680 E C 1.008 177.543 176.600 -0.108 0.000 1.024 680 E CA 0.687 57.092 56.400 0.008 0.000 0.861 680 E CB -0.270 29.511 29.700 0.135 0.000 0.788 680 E HN 0.514 nan 8.360 nan 0.000 0.521 681 D N -0.012 120.254 120.400 -0.224 0.000 2.378 681 D HA -0.045 4.644 4.640 0.082 0.000 0.227 681 D C 0.021 176.286 176.300 -0.058 0.000 1.012 681 D CA 0.488 54.402 54.000 -0.143 0.000 0.905 681 D CB 0.254 40.997 40.800 -0.095 0.000 0.895 681 D HN 0.137 nan 8.370 nan 0.000 0.532 682 I N 2.285 122.838 120.570 -0.029 0.000 2.336 682 I HA 0.103 4.322 4.170 0.082 0.000 0.292 682 I C -1.160 174.937 176.117 -0.033 0.000 0.991 682 I CA -1.967 59.349 61.300 0.027 0.000 1.227 682 I CB 1.442 39.509 38.000 0.112 0.000 1.366 682 I HN -0.229 nan 8.210 nan 0.000 0.466 683 P HA 0.018 nan 4.420 nan 0.000 0.227 683 P C 0.024 177.118 177.300 -0.345 0.000 1.161 683 P CA 0.749 63.763 63.100 -0.143 0.000 0.788 683 P CB 0.824 32.365 31.700 -0.265 0.000 0.822 684 N N -0.588 117.876 118.700 -0.394 0.000 2.229 684 N HA 0.225 5.014 4.740 0.082 0.000 0.298 684 N C -0.461 174.954 175.510 -0.160 0.000 1.114 684 N CA -0.489 52.343 53.050 -0.364 0.000 0.776 684 N CB 2.036 40.288 38.487 -0.392 0.000 1.501 684 N HN -0.117 nan 8.380 nan 0.000 0.474 685 T N -0.489 114.026 114.554 -0.065 0.000 2.916 685 T HA 0.459 4.858 4.350 0.082 0.000 0.303 685 T C 0.176 174.851 174.700 -0.042 0.000 1.025 685 T CA -0.642 61.451 62.100 -0.011 0.000 1.142 685 T CB 0.952 69.886 68.868 0.110 0.000 0.947 685 T HN 0.452 nan 8.240 nan 0.000 0.544 686 A N 2.722 125.513 122.820 -0.049 0.000 2.311 686 A HA 0.673 5.042 4.320 0.082 0.000 0.334 686 A C 1.518 179.068 177.584 -0.057 0.000 1.139 686 A CA -0.300 51.709 52.037 -0.047 0.000 0.830 686 A CB 0.929 19.906 19.000 -0.038 0.000 1.234 686 A HN 1.089 nan 8.150 nan 0.000 0.483 687 T N -1.949 112.573 114.554 -0.053 0.000 2.985 687 T HA 0.099 4.499 4.350 0.082 0.000 0.266 687 T C -1.588 173.081 174.700 -0.053 0.000 1.076 687 T CA 0.235 62.305 62.100 -0.050 0.000 1.135 687 T CB -1.443 67.390 68.868 -0.057 0.000 0.890 687 T HN 0.425 nan 8.240 nan 0.000 0.480 688 P HA 0.315 nan 4.420 nan 0.000 0.263 688 P C 1.114 178.364 177.300 -0.084 0.000 1.195 688 P CA 1.179 64.248 63.100 -0.052 0.000 0.762 688 P CB 0.091 31.767 31.700 -0.041 0.000 0.799 689 G N 3.314 112.057 108.800 -0.095 0.000 2.189 689 G HA2 -0.276 3.733 3.960 0.082 0.000 0.267 689 G HA3 -0.276 3.733 3.960 0.082 0.000 0.267 689 G C 0.595 175.333 174.900 -0.269 0.000 0.975 689 G CA -0.178 44.839 45.100 -0.138 0.000 0.644 689 G HN 0.555 nan 8.290 nan 0.000 0.537 690 N N 0.658 119.177 118.700 -0.301 0.000 2.635 690 N HA 0.408 5.197 4.740 0.082 0.000 0.307 690 N C 0.051 175.282 175.510 -0.465 0.000 1.433 690 N CA 0.721 53.444 53.050 -0.545 0.000 0.973 690 N CB 0.880 39.123 38.487 -0.407 0.000 1.304 690 N HN 0.741 nan 8.380 nan 0.000 0.507 691 S N -1.054 114.421 115.700 -0.375 0.000 2.568 691 S HA 0.817 5.336 4.470 0.082 0.000 0.293 691 S C -0.265 174.219 174.600 -0.193 0.000 1.089 691 S CA -0.567 57.436 58.200 -0.330 0.000 0.945 691 S CB 2.032 64.995 63.200 -0.395 0.000 1.077 691 S HN -0.057 nan 8.310 nan 0.000 0.485 692 V N -0.963 118.870 119.914 -0.134 0.000 3.160 692 V HA 1.078 5.247 4.120 0.082 0.000 0.310 692 V C 0.436 176.539 176.094 0.015 0.000 1.181 692 V CA -0.025 62.295 62.300 0.034 0.000 1.047 692 V CB 0.945 32.830 31.823 0.103 0.000 1.068 692 V HN 1.789 nan 8.190 nan 0.000 0.441 693 G N 0.459 109.318 108.800 0.098 0.000 2.404 693 G HA2 0.612 4.621 3.960 0.082 0.000 0.253 693 G HA3 0.612 4.621 3.960 0.082 0.000 0.253 693 G C -1.526 173.425 174.900 0.085 0.000 1.253 693 G CA 0.112 45.205 45.100 -0.012 0.000 0.917 693 G HN 2.207 nan 8.290 nan 0.000 0.480 694 F N -1.640 118.232 119.950 -0.129 0.000 2.713 694 F HA 0.878 5.454 4.527 0.081 0.000 0.311 694 F C -1.724 174.011 175.800 -0.108 0.000 1.141 694 F CA -1.456 56.487 58.000 -0.095 0.000 0.939 694 F CB 1.068 40.002 39.000 -0.110 0.000 1.325 694 F HN 0.505 nan 8.300 nan 0.000 0.453 695 L N 2.237 123.543 121.223 0.138 0.000 2.354 695 L HA 0.703 5.092 4.340 0.082 0.000 0.269 695 L C -0.979 176.008 176.870 0.195 0.000 1.005 695 L CA -0.680 54.197 54.840 0.062 0.000 0.819 695 L CB 2.041 44.090 42.059 -0.015 0.000 1.311 695 L HN 0.656 nan 8.230 nan 0.000 0.423 696 L N 2.848 124.185 121.223 0.189 0.000 2.319 696 L HA 0.632 5.021 4.340 0.082 0.000 0.281 696 L C -0.497 176.558 176.870 0.308 0.000 1.005 696 L CA -0.510 54.502 54.840 0.287 0.000 0.828 696 L CB 1.288 43.526 42.059 0.299 0.000 1.227 696 L HN 0.558 nan 8.230 nan 0.000 0.415 697 R N 3.818 124.410 120.500 0.153 0.000 2.534 697 R HA 0.486 4.876 4.340 0.082 0.000 0.301 697 R C -2.641 173.351 176.300 -0.514 0.000 0.961 697 R CA -1.976 54.078 56.100 -0.077 0.000 0.871 697 R CB 1.888 32.158 30.300 -0.051 0.000 1.170 697 R HN 0.253 nan 8.270 nan 0.000 0.446 698 P HA -0.008 nan 4.420 nan 0.000 0.268 698 P C -1.059 176.125 177.300 -0.194 0.000 1.204 698 P CA 0.136 62.662 63.100 -0.956 0.000 0.768 698 P CB 0.437 31.898 31.700 -0.398 0.000 0.842 699 F N 4.060 123.887 119.950 -0.204 0.000 2.771 699 F HA 0.301 4.877 4.527 0.082 0.000 0.365 699 F C 0.213 176.039 175.800 0.044 0.000 1.169 699 F CA -0.371 57.614 58.000 -0.026 0.000 1.093 699 F CB 0.347 39.365 39.000 0.029 0.000 1.363 699 F HN 0.271 nan 8.300 nan 0.000 0.496 700 N N 3.537 122.082 118.700 -0.259 0.000 2.741 700 N HA -0.318 4.472 4.740 0.082 0.000 0.251 700 N C 0.663 176.180 175.510 0.012 0.000 1.112 700 N CA 1.482 54.455 53.050 -0.129 0.000 0.750 700 N CB -1.765 36.616 38.487 -0.177 0.000 1.119 700 N HN 0.694 nan 8.380 nan 0.000 0.561 701 F N 0.057 119.925 119.950 -0.138 0.000 2.219 701 F HA 0.211 4.787 4.527 0.082 0.000 0.294 701 F C 0.700 176.248 175.800 -0.420 0.000 1.086 701 F CA 0.855 58.681 58.000 -0.291 0.000 1.330 701 F CB 0.201 38.941 39.000 -0.434 0.000 1.047 701 F HN -0.037 nan 8.300 nan 0.000 0.495 702 F N 0.392 120.461 119.950 0.198 0.000 2.425 702 F HA 0.349 4.925 4.527 0.082 0.000 0.331 702 F C -1.323 174.521 175.800 0.074 0.000 1.085 702 F CA -2.164 55.907 58.000 0.118 0.000 1.028 702 F CB 0.321 39.404 39.000 0.138 0.000 1.177 702 F HN -0.261 nan 8.300 nan 0.000 0.487 703 P HA -0.082 nan 4.420 nan 0.000 0.220 703 P C -0.716 176.799 177.300 0.358 0.000 1.148 703 P CA 1.191 64.434 63.100 0.237 0.000 0.803 703 P CB 0.157 31.928 31.700 0.120 0.000 0.782 704 E N -2.266 118.080 120.200 0.244 0.000 2.456 704 E HA 0.248 4.647 4.350 0.082 0.000 0.278 704 E C -1.211 175.442 176.600 0.088 0.000 1.034 704 E CA -1.031 55.459 56.400 0.150 0.000 0.846 704 E CB -0.038 29.732 29.700 0.116 0.000 1.460 704 E HN -0.326 nan 8.360 nan 0.000 0.463 705 D N 1.746 122.156 120.400 0.017 0.000 2.570 705 D HA -0.017 4.672 4.640 0.082 0.000 0.243 705 D C -1.216 175.024 176.300 -0.099 0.000 1.171 705 D CA -1.436 52.538 54.000 -0.043 0.000 0.879 705 D CB 0.924 41.695 40.800 -0.048 0.000 1.143 705 D HN 0.191 nan 8.370 nan 0.000 0.511 706 P HA -0.097 nan 4.420 nan 0.000 0.233 706 P C 0.942 178.154 177.300 -0.147 0.000 1.167 706 P CA 0.496 63.391 63.100 -0.342 0.000 0.770 706 P CB -0.012 31.064 31.700 -1.040 0.000 0.837 707 S N -0.740 114.896 115.700 -0.107 0.000 2.555 707 S HA -0.001 4.518 4.470 0.082 0.000 0.230 707 S C 1.834 176.398 174.600 -0.059 0.000 0.978 707 S CA 0.166 58.345 58.200 -0.036 0.000 0.934 707 S CB -1.455 61.743 63.200 -0.004 0.000 0.766 707 S HN 0.072 nan 8.310 nan 0.000 0.533 708 L N 0.814 121.989 121.223 -0.080 0.000 2.265 708 L HA 0.009 4.398 4.340 0.082 0.000 0.215 708 L C 2.920 179.711 176.870 -0.132 0.000 1.117 708 L CA 0.966 55.742 54.840 -0.106 0.000 0.782 708 L CB -0.637 41.367 42.059 -0.092 0.000 0.914 708 L HN 0.499 nan 8.230 nan 0.000 0.441 709 A N -1.030 121.729 122.820 -0.102 0.000 2.172 709 A HA -0.095 4.274 4.320 0.082 0.000 0.216 709 A C 1.514 179.029 177.584 -0.115 0.000 1.154 709 A CA 0.588 52.560 52.037 -0.109 0.000 0.701 709 A CB -0.329 18.618 19.000 -0.087 0.000 0.789 709 A HN 0.301 nan 8.150 nan 0.000 0.465 710 S N -0.114 115.526 115.700 -0.100 0.000 2.533 710 S HA 0.211 4.730 4.470 0.082 0.000 0.282 710 S C 0.921 175.464 174.600 -0.094 0.000 1.304 710 S CA -0.542 57.615 58.200 -0.071 0.000 1.063 710 S CB 0.216 63.400 63.200 -0.028 0.000 0.881 710 S HN 0.383 nan 8.310 nan 0.000 0.493 711 R N 2.983 123.462 120.500 -0.036 0.000 2.334 711 R HA 0.150 4.539 4.340 0.082 0.000 0.220 711 R C 0.303 176.684 176.300 0.135 0.000 0.917 711 R CA 0.068 56.184 56.100 0.028 0.000 1.073 711 R CB -0.471 29.881 30.300 0.087 0.000 1.056 711 R HN 0.626 nan 8.270 nan 0.000 0.506 712 D N 0.239 120.695 120.400 0.093 0.000 2.347 712 D HA -0.020 4.669 4.640 0.082 0.000 0.213 712 D C 0.050 176.444 176.300 0.155 0.000 0.985 712 D CA 0.564 54.641 54.000 0.128 0.000 0.879 712 D CB 0.153 41.017 40.800 0.105 0.000 0.919 712 D HN -0.019 nan 8.370 nan 0.000 0.526 713 T N 0.873 115.501 114.554 0.124 0.000 2.934 713 T HA 0.162 4.561 4.350 0.082 0.000 0.306 713 T C 0.326 175.214 174.700 0.313 0.000 1.042 713 T CA 0.065 62.245 62.100 0.133 0.000 1.145 713 T CB 1.436 70.286 68.868 -0.030 0.000 0.982 713 T HN -0.247 nan 8.240 nan 0.000 0.544 714 V N 4.970 125.029 119.914 0.243 0.000 2.540 714 V HA 0.529 4.698 4.120 0.082 0.000 0.302 714 V C -0.091 176.105 176.094 0.170 0.000 1.035 714 V CA -0.793 61.649 62.300 0.238 0.000 0.873 714 V CB 1.634 33.569 31.823 0.187 0.000 0.992 714 V HN 0.736 nan 8.190 nan 0.000 0.428 715 I N 4.532 125.165 120.570 0.104 0.000 2.436 715 I HA 0.517 4.736 4.170 0.082 0.000 0.289 715 I C -0.737 175.218 176.117 -0.271 0.000 1.010 715 I CA -0.937 60.276 61.300 -0.145 0.000 1.098 715 I CB 2.196 40.026 38.000 -0.284 0.000 1.266 715 I HN 0.246 nan 8.210 nan 0.000 0.434 716 V N 5.152 124.960 119.914 -0.177 0.000 2.370 716 V HA 0.348 4.517 4.120 0.082 0.000 0.283 716 V C -1.007 174.978 176.094 -0.182 0.000 1.023 716 V CA -0.433 61.857 62.300 -0.017 0.000 0.857 716 V CB 0.972 32.963 31.823 0.281 0.000 0.985 716 V HN 0.590 nan 8.190 nan 0.000 0.443 717 W N 6.300 127.639 121.300 0.064 0.000 2.632 717 W HA 0.581 5.290 4.660 0.082 0.000 0.328 717 W C -2.283 174.230 176.519 -0.009 0.000 1.044 717 W CA -2.302 55.009 57.345 -0.057 0.000 1.225 717 W CB 1.482 30.975 29.460 0.055 0.000 1.396 717 W HN 0.304 nan 8.180 nan 0.000 0.499 718 P HA 0.293 nan 4.420 nan 0.000 0.274 718 P C -0.458 176.947 177.300 0.175 0.000 1.237 718 P CA -0.238 62.966 63.100 0.174 0.000 0.793 718 P CB 1.134 32.880 31.700 0.077 0.000 0.977 719 R N 1.082 121.679 120.500 0.161 0.000 2.686 719 R HA 0.316 4.705 4.340 0.082 0.000 0.283 719 R C -0.807 175.541 176.300 0.080 0.000 0.978 719 R CA -0.832 55.330 56.100 0.104 0.000 0.897 719 R CB 1.078 31.439 30.300 0.101 0.000 1.192 719 R HN 0.433 nan 8.270 nan 0.000 0.457 720 D N 1.607 122.037 120.400 0.050 0.000 2.412 720 D HA 0.083 4.772 4.640 0.082 0.000 0.257 720 D C 1.237 177.560 176.300 0.038 0.000 1.217 720 D CA 1.247 55.271 54.000 0.041 0.000 0.897 720 D CB -0.008 40.806 40.800 0.023 0.000 1.132 720 D HN 0.757 nan 8.370 nan 0.000 0.493 721 N N 0.723 119.449 118.700 0.044 0.000 2.800 721 N HA -0.105 4.684 4.740 0.082 0.000 0.250 721 N C 0.673 176.206 175.510 0.038 0.000 1.078 721 N CA 1.155 54.227 53.050 0.037 0.000 0.804 721 N CB -1.596 36.906 38.487 0.025 0.000 1.135 721 N HN 0.751 nan 8.380 nan 0.000 0.565 722 G N -1.502 107.328 108.800 0.051 0.000 2.921 722 G HA2 0.838 4.847 3.960 0.082 0.000 0.291 722 G HA3 0.838 4.847 3.960 0.082 0.000 0.291 722 G C -2.734 172.211 174.900 0.075 0.000 1.370 722 G CA -0.035 45.097 45.100 0.053 0.000 0.847 722 G HN 0.425 nan 8.290 nan 0.000 0.532 723 P HA 0.264 nan 4.420 nan 0.000 0.274 723 P C -0.394 176.994 177.300 0.146 0.000 1.237 723 P CA -0.703 62.456 63.100 0.099 0.000 0.793 723 P CB 0.499 32.249 31.700 0.084 0.000 0.977 724 N N 0.364 119.172 118.700 0.181 0.000 2.381 724 N HA -0.027 4.762 4.740 0.082 0.000 0.241 724 N C -0.516 175.166 175.510 0.286 0.000 1.279 724 N CA 0.102 53.307 53.050 0.258 0.000 0.896 724 N CB -0.081 38.589 38.487 0.305 0.000 1.118 724 N HN 0.431 nan 8.380 nan 0.000 0.438 725 Y N 1.199 121.612 120.300 0.189 0.000 2.425 725 Y HA 0.261 4.860 4.550 0.082 0.000 0.347 725 Y C -0.565 175.463 175.900 0.214 0.000 0.976 725 Y CA -0.939 57.263 58.100 0.170 0.000 1.190 725 Y CB 0.312 38.868 38.460 0.159 0.000 1.136 725 Y HN 0.135 nan 8.280 nan 0.000 0.517 726 V N 7.971 127.820 119.914 -0.107 0.000 2.339 726 V HA 0.153 4.322 4.120 0.082 0.000 0.261 726 V C 0.058 175.808 176.094 -0.574 0.000 1.058 726 V CA -0.503 61.660 62.300 -0.227 0.000 0.897 726 V CB 0.578 32.368 31.823 -0.054 0.000 1.052 726 V HN 0.732 nan 8.190 nan 0.000 0.480 727 Q N 5.941 125.318 119.800 -0.705 0.000 2.294 727 Q HA 0.474 4.863 4.340 0.082 0.000 0.257 727 Q C -0.385 175.276 176.000 -0.564 0.000 0.955 727 Q CA -0.290 55.035 55.803 -0.798 0.000 0.936 727 Q CB 0.696 29.128 28.738 -0.511 0.000 1.188 727 Q HN 0.697 nan 8.270 nan 0.000 0.420 728 R N 2.937 123.067 120.500 -0.616 0.000 2.837 728 R HA 0.351 4.740 4.340 0.082 0.000 0.271 728 R C -0.244 175.739 176.300 -0.528 0.000 0.993 728 R CA -0.648 55.243 56.100 -0.348 0.000 0.931 728 R CB 1.246 31.478 30.300 -0.114 0.000 1.206 728 R HN 0.751 nan 8.270 nan 0.000 0.474 729 W N 1.480 122.797 121.300 0.028 0.000 2.870 729 W HA 0.378 5.087 4.660 0.082 0.000 0.358 729 W C -0.009 176.521 176.519 0.019 0.000 1.043 729 W CA 0.036 57.398 57.345 0.028 0.000 1.692 729 W CB 0.848 30.323 29.460 0.025 0.000 1.100 729 W HN 0.303 nan 8.180 nan 0.000 0.557 730 I N 1.368 122.038 120.570 0.167 0.000 2.752 730 I HA 0.335 4.554 4.170 0.082 0.000 0.295 730 I C -2.529 173.616 176.117 0.047 0.000 1.219 730 I CA -2.032 59.324 61.300 0.093 0.000 1.030 730 I CB 2.532 40.590 38.000 0.097 0.000 1.259 730 I HN -0.364 nan 8.210 nan 0.000 0.423 731 P HA 0.141 nan 4.420 nan 0.000 0.272 731 P C -1.049 176.263 177.300 0.021 0.000 1.223 731 P CA -0.107 62.999 63.100 0.009 0.000 0.784 731 P CB 0.459 32.157 31.700 -0.003 0.000 0.923 732 E N 1.401 121.618 120.200 0.027 0.000 2.452 732 E HA -0.010 4.389 4.350 0.082 0.000 0.261 732 E C -0.656 175.974 176.600 0.050 0.000 0.987 732 E CA 0.087 56.511 56.400 0.041 0.000 0.926 732 E CB 0.201 29.923 29.700 0.037 0.000 0.934 732 E HN 0.371 nan 8.360 nan 0.000 0.452 733 D N 2.895 123.339 120.400 0.073 0.000 2.649 733 D HA 0.252 4.941 4.640 0.082 0.000 0.249 733 D C -0.529 175.837 176.300 0.110 0.000 1.112 733 D CA -0.591 53.478 54.000 0.116 0.000 0.850 733 D CB 0.969 41.878 40.800 0.182 0.000 1.399 733 D HN 0.434 nan 8.370 nan 0.000 0.503 734 R N 2.471 123.031 120.500 0.100 0.000 2.629 734 R HA 0.211 4.600 4.340 0.082 0.000 0.408 734 R C -0.677 175.658 176.300 0.060 0.000 1.057 734 R CA -0.601 55.541 56.100 0.071 0.000 1.119 734 R CB 0.499 30.829 30.300 0.050 0.000 1.403 734 R HN 0.430 nan 8.270 nan 0.000 0.576 735 D N 0.653 121.099 120.400 0.077 0.000 2.399 735 D HA 0.029 4.719 4.640 0.082 0.000 0.241 735 D C -0.324 175.965 176.300 -0.018 0.000 1.133 735 D CA 0.200 54.215 54.000 0.024 0.000 0.890 735 D CB 1.295 42.094 40.800 -0.002 0.000 1.201 735 D HN 0.052 nan 8.370 nan 0.000 0.432 736 C N 1.528 120.814 119.300 -0.023 0.000 2.634 736 C HA 0.758 5.267 4.460 0.082 0.000 0.313 736 C C -0.388 174.581 174.990 -0.035 0.000 1.198 736 C CA -0.228 58.775 59.018 -0.025 0.000 1.605 736 C CB 0.373 28.110 27.740 -0.004 0.000 2.196 736 C HN 0.718 nan 8.230 nan 0.000 0.486 737 S N 5.021 120.701 115.700 -0.035 0.000 2.651 737 S HA 0.741 5.260 4.470 0.082 0.000 0.279 737 S C -1.053 173.542 174.600 -0.007 0.000 1.148 737 S CA -0.828 57.356 58.200 -0.026 0.000 0.837 737 S CB 1.287 64.460 63.200 -0.044 0.000 1.138 737 S HN 0.788 nan 8.310 nan 0.000 0.478 738 M N 2.170 121.771 119.600 0.002 0.000 2.318 738 M HA 0.475 5.004 4.480 0.082 0.000 0.347 738 M C -2.232 174.081 176.300 0.022 0.000 1.175 738 M CA -1.723 53.586 55.300 0.014 0.000 1.075 738 M CB 0.824 33.433 32.600 0.016 0.000 1.614 738 M HN 0.623 nan 8.290 nan 0.000 0.456 739 P HA 0.462 nan 4.420 nan 0.000 0.277 739 P C -2.707 174.621 177.300 0.048 0.000 1.271 739 P CA -1.153 61.977 63.100 0.049 0.000 0.795 739 P CB -0.904 30.835 31.700 0.066 0.000 1.101 740 P HA 0.201 nan 4.420 nan 0.000 0.267 740 P C -2.230 175.098 177.300 0.046 0.000 1.200 740 P CA -0.533 62.590 63.100 0.038 0.000 0.772 740 P CB -1.379 30.337 31.700 0.027 0.000 0.855 741 P HA 0.067 nan 4.420 nan 0.000 0.269 741 P C -0.409 176.941 177.300 0.084 0.000 1.215 741 P CA -0.216 62.926 63.100 0.070 0.000 0.780 741 P CB 0.218 31.949 31.700 0.053 0.000 0.898 742 F N 2.074 122.017 119.950 -0.011 0.000 2.572 742 F HA 0.274 4.850 4.527 0.082 0.000 0.370 742 F C 0.443 176.237 175.800 -0.009 0.000 1.103 742 F CA 0.847 58.837 58.000 -0.016 0.000 1.286 742 F CB 0.278 39.270 39.000 -0.014 0.000 1.105 742 F HN 0.391 nan 8.300 nan 0.000 0.583 743 S N 5.178 120.421 115.700 -0.762 0.000 2.618 743 S HA 0.647 5.166 4.470 0.082 0.000 0.277 743 S C -1.697 172.439 174.600 -0.774 0.000 1.138 743 S CA -0.780 57.078 58.200 -0.571 0.000 0.844 743 S CB 1.986 65.024 63.200 -0.269 0.000 1.127 743 S HN 0.765 nan 8.310 nan 0.000 0.474 744 Y N 1.157 121.158 120.300 -0.497 0.000 2.442 744 Y HA 0.461 5.060 4.550 0.082 0.000 0.330 744 Y C 0.374 176.189 175.900 -0.142 0.000 1.100 744 Y CA -0.690 57.213 58.100 -0.329 0.000 1.034 744 Y CB 1.878 40.220 38.460 -0.196 0.000 1.285 744 Y HN 0.871 nan 8.280 nan 0.000 0.440 745 N N 2.374 120.809 118.700 -0.443 0.000 2.414 745 N HA 0.085 4.874 4.740 0.082 0.000 0.189 745 N C 1.297 176.732 175.510 -0.126 0.000 1.039 745 N CA 1.593 54.510 53.050 -0.221 0.000 0.889 745 N CB 0.429 38.785 38.487 -0.218 0.000 1.085 745 N HN 1.128 nan 8.380 nan 0.000 0.442 746 G N 0.345 109.000 108.800 -0.242 0.000 2.199 746 G HA2 -0.251 3.758 3.960 0.082 0.000 0.254 746 G HA3 -0.251 3.758 3.960 0.082 0.000 0.254 746 G C 0.291 175.232 174.900 0.069 0.000 0.982 746 G CA 1.037 46.152 45.100 0.024 0.000 0.632 746 G HN 0.744 nan 8.290 nan 0.000 0.529 747 T N -1.156 113.386 114.554 -0.021 0.000 2.925 747 T HA 0.726 5.125 4.350 0.082 0.000 0.285 747 T C -0.474 174.184 174.700 -0.069 0.000 1.021 747 T CA -0.205 61.826 62.100 -0.115 0.000 1.042 747 T CB 1.924 70.699 68.868 -0.156 0.000 1.037 747 T HN 1.375 nan 8.240 nan 0.000 0.481 748 Y N -0.068 120.129 120.300 -0.172 0.000 2.317 748 Y HA 0.793 5.391 4.550 0.081 0.000 0.325 748 Y C -0.590 175.190 175.900 -0.201 0.000 1.066 748 Y CA -1.344 56.558 58.100 -0.330 0.000 1.203 748 Y CB 1.109 39.128 38.460 -0.735 0.000 1.127 748 Y HN 0.535 nan 8.280 nan 0.000 0.451 749 R N 2.206 122.639 120.500 -0.113 0.000 2.808 749 R HA 0.562 4.951 4.340 0.082 0.000 0.272 749 R C -3.178 173.164 176.300 0.070 0.000 0.995 749 R CA -2.410 53.655 56.100 -0.058 0.000 0.917 749 R CB 1.929 32.184 30.300 -0.075 0.000 1.217 749 R HN 0.407 nan 8.270 nan 0.000 0.471 750 P HA 0.161 nan 4.420 nan 0.000 0.269 750 P C -0.404 176.980 177.300 0.140 0.000 1.215 750 P CA -0.210 62.986 63.100 0.159 0.000 0.780 750 P CB 0.647 32.410 31.700 0.103 0.000 0.898 751 V N 0.000 120.037 119.914 0.205 0.000 2.409 751 V HA 0.000 4.169 4.120 0.082 0.000 0.244 751 V CA 0.000 62.379 62.300 0.132 0.000 1.235 751 V CB 0.000 31.935 31.823 0.186 0.000 1.184 751 V HN 0.000 nan 8.190 nan 0.000 0.556