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 3act_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRYGHFDDAA REYVITTPHT PYPWINYLGS EQFFSLLSHQ AGGYSFYRDA DATA SEQUENCE KMRRLTRYRY NNIPADAGGR YLYVNDGGDV WTPSWLPVKA DLDHFEARHG DATA SEQUENCE LGYSRITGER NGLKVETLFF VPLGENAEVQ KVTVTNTSDA PKTATLFSFV DATA SEQUENCE EFCLWNAQDD QTNYQRNLSI GEVEVEQDGP HGSAIYHKTE YRERRDHYAV DATA SEQUENCE FGVNTRADGF DTDRDTFVGA YNSLGEASVP RAGKSADSVA SGWYPIGSHS DATA SEQUENCE VAVTLQPGES RDLVYVLGYL ENPDEEKWAD DAHQVVNKAP AHALLGRFAT DATA SEQUENCE SEQVDAALEA LNSYWTNLLS TYSVSSTDEK LDRMVNIWNQ YQCMVTFNMS DATA SEQUENCE RSASFFETGI GRGMGFRDSN QDLLGFVHLI PERARERIID IASTQFADGS DATA SEQUENCE AYHQYQPLTK RGNNDIGSGF NDDPLWLIAG VAAYIKESGD WGILDEPVPF DATA SEQUENCE DNEPGSEVPL FEHLTRSFQF TVQNRGPHGL PLIGRADWND CLNLNCFSTT DATA SEQUENCE PGESFQTTEN QAGGVAESVF IAAQFVLYGA EYATLAERRG LADVATEARK DATA SEQUENCE YVDEVRAAVL EHGWDGQWFL RAYDYYGNPV GTDAKPEGKI WIEPQGFAVM DATA SEQUENCE AGIGVGEGPD DADAPAVKAL DSVNEMLGTP HGLVLQYPAY TTYQIELGEV DATA SEQUENCE STYPPGYKEN GGIFCNNNPW VIIAETVVGR GAQAFDYYKR ITPAYREDIS DATA SEQUENCE DTHKLEPYVY AQMIAGKEAV RAGEAKNSWL TGTAAWNFVA VSQYLLGVRP DATA SEQUENCE DYDGLVVDPQ IGPDVPSYTV TRVARGATYE ITVTNSGAPG ARASLTVDGA DATA SEQUENCE PVDGRTVPYA PAGSTVRVEV TV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.276 176.300 -0.040 0.000 1.140 1 M CA 0.000 55.281 55.300 -0.031 0.000 0.988 1 M CB 0.000 32.602 32.600 0.004 0.000 1.302 2 R N 2.024 122.424 120.500 -0.167 0.000 2.837 2 R HA 0.648 4.988 4.340 0.000 0.000 0.271 2 R C -0.846 175.278 176.300 -0.292 0.000 0.993 2 R CA -0.433 55.634 56.100 -0.055 0.000 0.931 2 R CB 1.871 32.219 30.300 0.079 0.000 1.206 2 R HN 0.635 nan 8.270 nan 0.000 0.474 3 Y N -0.670 119.774 120.300 0.239 0.000 2.641 3 Y HA 0.488 5.038 4.550 0.000 0.000 0.248 3 Y C 0.762 176.784 175.900 0.204 0.000 1.170 3 Y CA -0.107 58.090 58.100 0.162 0.000 1.201 3 Y CB 1.938 40.419 38.460 0.036 0.000 1.232 3 Y HN 0.822 nan 8.280 nan 0.000 0.537 4 G N -0.355 108.626 108.800 0.303 0.000 2.335 4 G HA2 0.439 4.399 3.960 0.000 0.000 0.291 4 G HA3 0.439 4.399 3.960 0.000 0.000 0.291 4 G C -1.970 172.880 174.900 -0.083 0.000 1.261 4 G CA -0.703 44.440 45.100 0.071 0.000 0.871 4 G HN 0.287 nan 8.290 nan 0.000 0.491 5 H N -2.287 116.382 119.070 -0.667 0.000 3.042 5 H HA 0.705 5.261 4.556 0.000 0.000 0.346 5 H C -1.524 173.274 175.328 -0.884 0.000 1.294 5 H CA -1.175 54.545 56.048 -0.547 0.000 1.141 5 H CB 0.839 30.489 29.762 -0.187 0.000 1.872 5 H HN 0.435 nan 8.280 nan 0.000 0.541 6 F N 0.694 120.517 119.950 -0.211 0.000 2.418 6 F HA 0.227 4.754 4.527 0.000 0.000 0.341 6 F C 0.577 176.405 175.800 0.048 0.000 1.120 6 F CA 0.275 58.217 58.000 -0.096 0.000 1.232 6 F CB 0.825 39.874 39.000 0.082 0.000 1.175 6 F HN 0.618 nan 8.300 nan 0.000 0.569 7 D N 2.417 122.965 120.400 0.246 0.000 2.446 7 D HA 0.143 4.783 4.640 0.000 0.000 0.251 7 D C 0.084 176.536 176.300 0.254 0.000 1.137 7 D CA -0.313 53.820 54.000 0.222 0.000 0.890 7 D CB 0.701 41.577 40.800 0.126 0.000 1.071 7 D HN 0.432 nan 8.370 nan 0.000 0.528 8 D N 2.435 122.975 120.400 0.233 0.000 2.117 8 D HA -0.089 4.551 4.640 0.000 0.000 0.198 8 D C 1.893 178.270 176.300 0.128 0.000 0.982 8 D CA 0.984 55.103 54.000 0.198 0.000 0.828 8 D CB 0.047 40.932 40.800 0.142 0.000 0.967 8 D HN 0.538 nan 8.370 nan 0.000 0.464 9 A N 0.932 123.816 122.820 0.106 0.000 1.933 9 A HA -0.040 4.280 4.320 0.000 0.000 0.218 9 A C 2.189 179.819 177.584 0.077 0.000 1.175 9 A CA 2.026 54.110 52.037 0.078 0.000 0.628 9 A CB -0.463 18.576 19.000 0.066 0.000 0.814 9 A HN 0.239 nan 8.150 nan 0.000 0.444 10 A N -1.536 121.341 122.820 0.096 0.000 2.218 10 A HA 0.283 4.603 4.320 0.000 0.000 0.209 10 A C 1.042 178.683 177.584 0.095 0.000 1.168 10 A CA 0.406 52.503 52.037 0.100 0.000 0.804 10 A CB -0.246 18.820 19.000 0.109 0.000 0.834 10 A HN 0.492 nan 8.150 nan 0.000 0.482 11 R N -0.244 120.306 120.500 0.083 0.000 3.264 11 R HA -0.163 4.177 4.340 0.000 0.000 0.251 11 R C -1.105 175.222 176.300 0.046 0.000 0.971 11 R CA 1.111 57.203 56.100 -0.013 0.000 0.658 11 R CB -2.071 28.116 30.300 -0.188 0.000 1.095 11 R HN 0.738 nan 8.270 nan 0.000 0.443 12 E N -0.228 120.155 120.200 0.305 0.000 2.367 12 E HA 0.338 4.688 4.350 0.000 0.000 0.273 12 E C -1.484 175.318 176.600 0.336 0.000 0.903 12 E CA -0.958 55.622 56.400 0.299 0.000 0.764 12 E CB 1.708 31.467 29.700 0.099 0.000 1.252 12 E HN 0.171 nan 8.360 nan 0.000 0.446 13 Y N 1.539 121.803 120.300 -0.060 0.000 2.330 13 Y HA 0.392 4.942 4.550 0.000 0.000 0.336 13 Y C -0.940 174.746 175.900 -0.358 0.000 1.036 13 Y CA -0.558 57.250 58.100 -0.485 0.000 1.125 13 Y CB 0.984 38.812 38.460 -1.054 0.000 1.194 13 Y HN 0.216 nan 8.280 nan 0.000 0.469 14 V N 8.311 127.629 119.914 -0.994 0.000 2.334 14 V HA 0.325 4.445 4.120 0.000 0.000 0.281 14 V C -0.203 175.550 176.094 -0.568 0.000 1.016 14 V CA -0.746 61.141 62.300 -0.687 0.000 0.832 14 V CB 0.826 32.115 31.823 -0.890 0.000 0.999 14 V HN 0.602 nan 8.190 nan 0.000 0.439 15 I N 4.676 125.139 120.570 -0.179 0.000 2.321 15 I HA 0.290 4.460 4.170 0.000 0.000 0.291 15 I C 1.152 177.313 176.117 0.074 0.000 0.998 15 I CA -0.097 61.245 61.300 0.071 0.000 1.227 15 I CB 1.848 39.976 38.000 0.214 0.000 1.368 15 I HN 0.725 nan 8.210 nan 0.000 0.466 16 T N -0.240 114.381 114.554 0.113 0.000 3.134 16 T HA 0.147 4.497 4.350 0.000 0.000 0.260 16 T C 0.369 175.199 174.700 0.215 0.000 1.027 16 T CA -0.342 61.835 62.100 0.129 0.000 0.913 16 T CB 0.004 68.930 68.868 0.098 0.000 1.046 16 T HN 0.605 nan 8.240 nan 0.000 0.553 17 T N 0.737 115.441 114.554 0.251 0.000 2.889 17 T HA 0.492 4.842 4.350 0.000 0.000 0.315 17 T C -2.669 171.953 174.700 -0.129 0.000 1.291 17 T CA -1.447 60.692 62.100 0.064 0.000 1.028 17 T CB 2.004 70.866 68.868 -0.009 0.000 1.235 17 T HN -0.276 nan 8.240 nan 0.000 0.491 18 P HA 0.128 nan 4.420 nan 0.000 0.231 18 P C -0.088 176.939 177.300 -0.455 0.000 1.168 18 P CA 0.728 63.307 63.100 -0.868 0.000 0.779 18 P CB -0.158 30.634 31.700 -1.513 0.000 0.844 19 H N -0.263 118.604 119.070 -0.339 0.000 2.680 19 H HA 0.197 4.753 4.556 0.000 0.000 0.224 19 H C 0.666 175.857 175.328 -0.229 0.000 1.866 19 H CA -0.465 55.428 56.048 -0.259 0.000 1.302 19 H CB -0.575 29.035 29.762 -0.253 0.000 1.709 19 H HN 0.060 nan 8.280 nan 0.000 0.537 20 T N -1.884 112.458 114.554 -0.353 0.000 2.874 20 T HA 0.120 4.470 4.350 0.000 0.000 0.281 20 T C -1.418 172.882 174.700 -0.666 0.000 0.994 20 T CA -2.039 59.494 62.100 -0.945 0.000 1.015 20 T CB 1.465 69.353 68.868 -1.634 0.000 1.028 20 T HN 0.086 nan 8.240 nan 0.000 0.523 21 P HA 0.158 nan 4.420 nan 0.000 0.229 21 P C -0.740 176.584 177.300 0.040 0.000 1.160 21 P CA 0.756 63.714 63.100 -0.237 0.000 0.777 21 P CB -0.052 31.571 31.700 -0.128 0.000 0.814 22 Y N -2.407 117.761 120.300 -0.221 0.000 2.641 22 Y HA 0.392 4.942 4.550 -0.000 0.000 0.333 22 Y C -2.861 173.049 175.900 0.016 0.000 1.174 22 Y CA -2.786 55.333 58.100 0.032 0.000 1.057 22 Y CB 1.143 39.750 38.460 0.244 0.000 1.322 22 Y HN -0.340 nan 8.280 nan 0.000 0.457 23 P HA -0.000 nan 4.420 nan 0.000 0.265 23 P C -1.316 176.268 177.300 0.472 0.000 1.193 23 P CA 0.714 63.931 63.100 0.195 0.000 0.765 23 P CB 0.255 32.099 31.700 0.240 0.000 0.823 24 W N 5.112 126.585 121.300 0.289 0.000 2.471 24 W HA 0.452 5.112 4.660 0.000 0.000 0.318 24 W C 0.136 176.849 176.519 0.324 0.000 1.034 24 W CA -0.642 56.837 57.345 0.222 0.000 1.224 24 W CB 0.458 29.996 29.460 0.130 0.000 1.335 24 W HN 0.210 nan 8.180 nan 0.000 0.452 25 I N 1.112 121.894 120.570 0.353 0.000 2.863 25 I HA 0.665 4.835 4.170 0.000 0.000 0.311 25 I C -0.431 175.626 176.117 -0.101 0.000 1.026 25 I CA -0.849 60.396 61.300 -0.092 0.000 1.077 25 I CB 2.137 39.679 38.000 -0.762 0.000 1.262 25 I HN 0.196 nan 8.210 nan 0.000 0.461 26 N N 1.417 119.760 118.700 -0.596 0.000 2.402 26 N HA 0.501 5.241 4.740 0.000 0.000 0.294 26 N C -1.963 173.190 175.510 -0.595 0.000 1.203 26 N CA -0.555 52.239 53.050 -0.427 0.000 0.838 26 N CB 1.498 39.638 38.487 -0.580 0.000 1.306 26 N HN 0.612 nan 8.380 nan 0.000 0.510 27 Y N 0.534 120.556 120.300 -0.463 0.000 2.352 27 Y HA 0.482 5.032 4.550 0.000 0.000 0.339 27 Y C -0.184 175.677 175.900 -0.065 0.000 0.992 27 Y CA -0.705 57.170 58.100 -0.376 0.000 1.100 27 Y CB 1.317 39.467 38.460 -0.516 0.000 1.192 27 Y HN 0.208 nan 8.280 nan 0.000 0.458 28 L N 3.057 124.338 121.223 0.097 0.000 2.325 28 L HA 0.879 5.219 4.340 0.000 0.000 0.278 28 L C 0.316 177.314 176.870 0.214 0.000 1.023 28 L CA -0.905 54.056 54.840 0.202 0.000 0.811 28 L CB 1.557 43.714 42.059 0.164 0.000 1.249 28 L HN 0.862 nan 8.230 nan 0.000 0.431 29 G N 1.244 110.186 108.800 0.237 0.000 2.712 29 G HA2 -0.046 3.914 3.960 0.000 0.000 0.686 29 G HA3 -0.046 3.914 3.960 0.000 0.000 0.686 29 G C -0.105 174.950 174.900 0.258 0.000 1.181 29 G CA -0.158 44.973 45.100 0.052 0.000 0.762 29 G HN 0.918 nan 8.290 nan 0.000 0.641 30 S N -0.567 115.236 115.700 0.173 0.000 2.893 30 S HA 0.420 4.890 4.470 0.000 0.000 0.258 30 S C 0.669 175.466 174.600 0.327 0.000 1.034 30 S CA 0.829 59.285 58.200 0.427 0.000 1.167 30 S CB 0.629 64.115 63.200 0.478 0.000 1.137 30 S HN 0.742 nan 8.310 nan 0.000 0.650 31 E N 1.172 121.381 120.200 0.014 0.000 2.872 31 E HA 0.306 4.656 4.350 0.000 0.000 0.221 31 E C 0.931 177.537 176.600 0.010 0.000 1.119 31 E CA -0.104 56.327 56.400 0.053 0.000 1.048 31 E CB 0.219 29.907 29.700 -0.021 0.000 2.574 31 E HN 0.276 nan 8.360 nan 0.000 0.568 32 Q N -0.745 118.935 119.800 -0.199 0.000 2.157 32 Q HA 0.238 4.579 4.340 0.000 0.000 0.235 32 Q C -0.782 175.020 176.000 -0.331 0.000 0.803 32 Q CA -0.182 55.536 55.803 -0.142 0.000 0.967 32 Q CB 1.459 30.166 28.738 -0.052 0.000 1.150 32 Q HN 0.092 nan 8.270 nan 0.000 0.482 33 F N 0.790 120.267 119.950 -0.790 0.000 2.493 33 F HA 0.547 5.074 4.527 0.000 0.000 0.329 33 F C -1.429 173.710 175.800 -1.102 0.000 1.126 33 F CA -0.952 56.678 58.000 -0.618 0.000 0.937 33 F CB 1.027 39.895 39.000 -0.220 0.000 1.146 33 F HN -0.240 nan 8.300 nan 0.000 0.442 34 F N 2.570 121.939 119.950 -0.968 0.000 2.588 34 F HA 0.646 5.173 4.527 0.000 0.000 0.314 34 F C -0.378 174.900 175.800 -0.869 0.000 1.069 34 F CA -0.843 56.679 58.000 -0.797 0.000 0.931 34 F CB 2.453 40.874 39.000 -0.966 0.000 1.260 34 F HN 0.243 nan 8.300 nan 0.000 0.465 35 S N 2.120 117.648 115.700 -0.287 0.000 2.557 35 S HA 0.672 5.142 4.470 0.000 0.000 0.291 35 S C -1.305 173.046 174.600 -0.414 0.000 1.116 35 S CA -0.540 57.472 58.200 -0.314 0.000 0.992 35 S CB 1.508 64.626 63.200 -0.136 0.000 1.028 35 S HN 0.329 nan 8.310 nan 0.000 0.484 36 L N 3.239 124.103 121.223 -0.599 0.000 2.265 36 L HA 0.587 4.927 4.340 0.000 0.000 0.288 36 L C -0.690 175.830 176.870 -0.583 0.000 1.058 36 L CA -0.151 54.201 54.840 -0.813 0.000 0.809 36 L CB 0.836 42.383 42.059 -0.855 0.000 1.179 36 L HN 0.537 nan 8.230 nan 0.000 0.429 37 L N 3.659 124.535 121.223 -0.577 0.000 2.406 37 L HA 0.583 4.923 4.340 0.000 0.000 0.270 37 L C 0.220 176.909 176.870 -0.301 0.000 0.982 37 L CA -0.054 54.551 54.840 -0.390 0.000 0.843 37 L CB 1.652 43.511 42.059 -0.334 0.000 1.225 37 L HN 0.678 nan 8.230 nan 0.000 0.412 38 S N 2.712 118.310 115.700 -0.170 0.000 2.624 38 S HA 0.185 4.655 4.470 0.000 0.000 0.263 38 S C 1.275 176.036 174.600 0.269 0.000 1.287 38 S CA 0.320 58.554 58.200 0.057 0.000 0.990 38 S CB 0.398 63.694 63.200 0.161 0.000 0.950 38 S HN 0.845 nan 8.310 nan 0.000 0.561 39 H N 0.222 119.476 119.070 0.306 0.000 2.567 39 H HA 0.086 4.642 4.556 0.000 0.000 0.276 39 H C 0.212 175.712 175.328 0.287 0.000 1.016 39 H CA 0.596 56.785 56.048 0.235 0.000 1.186 39 H CB -0.186 29.708 29.762 0.220 0.000 1.351 39 H HN 0.631 nan 8.280 nan 0.000 0.605 40 Q N 0.258 119.944 119.800 -0.190 0.000 2.175 40 Q HA 0.398 4.738 4.340 0.000 0.000 0.225 40 Q C 0.835 176.909 176.000 0.124 0.000 0.837 40 Q CA 0.220 55.992 55.803 -0.052 0.000 1.032 40 Q CB 0.912 29.550 28.738 -0.165 0.000 1.137 40 Q HN 0.626 nan 8.270 nan 0.000 0.483 41 A N -0.237 122.607 122.820 0.039 0.000 2.979 41 A HA -0.167 4.153 4.320 0.000 0.000 0.260 41 A C 0.899 178.423 177.584 -0.101 0.000 1.282 41 A CA 0.877 52.854 52.037 -0.101 0.000 0.971 41 A CB -2.029 17.031 19.000 0.100 0.000 1.124 41 A HN 0.478 nan 8.150 nan 0.000 0.826 42 G N -2.180 106.631 108.800 0.017 0.000 2.572 42 G HA2 0.740 4.700 3.960 0.000 0.000 0.261 42 G HA3 0.740 4.700 3.960 0.000 0.000 0.261 42 G C 0.924 175.827 174.900 0.005 0.000 1.197 42 G CA 0.990 46.141 45.100 0.084 0.000 0.870 42 G HN 2.445 nan 8.290 nan 0.000 0.548 43 G N -0.627 108.111 108.800 -0.103 0.000 2.306 43 G HA2 0.484 4.444 3.960 0.000 0.000 0.262 43 G HA3 0.484 4.444 3.960 0.000 0.000 0.262 43 G C -0.777 174.079 174.900 -0.074 0.000 1.263 43 G CA 0.165 45.039 45.100 -0.377 0.000 1.088 43 G HN 2.090 nan 8.290 nan 0.000 0.489 44 Y N -2.709 117.458 120.300 -0.221 0.000 2.750 44 Y HA 0.840 5.390 4.550 0.000 0.000 0.335 44 Y C -0.326 175.542 175.900 -0.054 0.000 1.252 44 Y CA -0.639 57.404 58.100 -0.095 0.000 1.064 44 Y CB 0.820 39.275 38.460 -0.009 0.000 1.321 44 Y HN 1.075 nan 8.280 nan 0.000 0.451 45 S N 0.911 116.704 115.700 0.154 0.000 2.569 45 S HA 0.848 5.319 4.470 0.000 0.000 0.280 45 S C -1.562 173.080 174.600 0.069 0.000 1.111 45 S CA -0.741 57.394 58.200 -0.110 0.000 0.887 45 S CB 1.863 64.982 63.200 -0.136 0.000 1.095 45 S HN 0.864 nan 8.310 nan 0.000 0.476 46 F N -0.506 119.252 119.950 -0.320 0.000 2.686 46 F HA 0.721 5.248 4.527 0.000 0.000 0.311 46 F C -1.710 173.895 175.800 -0.325 0.000 1.128 46 F CA -1.402 56.515 58.000 -0.138 0.000 0.946 46 F CB 0.931 39.977 39.000 0.076 0.000 1.336 46 F HN 0.549 nan 8.300 nan 0.000 0.457 47 Y N 3.017 123.272 120.300 -0.075 0.000 2.356 47 Y HA 0.583 5.133 4.550 0.000 0.000 0.334 47 Y C 0.891 176.810 175.900 0.031 0.000 0.958 47 Y CA -0.961 57.007 58.100 -0.220 0.000 1.196 47 Y CB 0.947 38.986 38.460 -0.701 0.000 1.137 47 Y HN 0.842 nan 8.280 nan 0.000 0.485 48 R N 1.385 121.711 120.500 -0.290 0.000 3.872 48 R HA -0.245 4.095 4.340 0.000 0.000 0.377 48 R C -0.858 175.508 176.300 0.110 0.000 0.628 48 R CA 1.948 57.925 56.100 -0.205 0.000 1.612 48 R CB -1.126 28.821 30.300 -0.588 0.000 2.008 48 R HN 0.709 nan 8.270 nan 0.000 0.414 49 D N -1.570 118.961 120.400 0.219 0.000 2.613 49 D HA 0.378 5.018 4.640 0.000 0.000 0.230 49 D C 0.101 176.308 176.300 -0.156 0.000 1.365 49 D CA 0.619 54.624 54.000 0.008 0.000 0.976 49 D CB 1.531 42.321 40.800 -0.016 0.000 1.415 49 D HN 0.156 nan 8.370 nan 0.000 0.589 50 A N 4.080 126.469 122.820 -0.717 0.000 2.119 50 A HA -0.086 4.234 4.320 0.000 0.000 0.217 50 A C 1.850 179.272 177.584 -0.270 0.000 1.153 50 A CA 0.977 52.480 52.037 -0.890 0.000 0.692 50 A CB -0.020 18.292 19.000 -1.147 0.000 0.799 50 A HN 0.509 nan 8.150 nan 0.000 0.458 51 K N -0.980 119.316 120.400 -0.174 0.000 2.128 51 K HA 0.128 4.448 4.320 0.000 0.000 0.202 51 K C 1.666 178.279 176.600 0.020 0.000 1.050 51 K CA 1.004 57.249 56.287 -0.069 0.000 0.966 51 K CB -0.097 32.364 32.500 -0.066 0.000 0.759 51 K HN 0.475 nan 8.250 nan 0.000 0.454 52 M N -0.151 119.477 119.600 0.047 0.000 2.514 52 M HA 0.132 4.612 4.480 0.000 0.000 0.258 52 M C 0.200 176.639 176.300 0.232 0.000 1.159 52 M CA 0.260 55.632 55.300 0.120 0.000 1.116 52 M CB 0.885 33.529 32.600 0.073 0.000 1.333 52 M HN -0.171 nan 8.290 nan 0.000 0.487 53 R N 1.148 121.809 120.500 0.270 0.000 2.738 53 R HA 0.330 4.670 4.340 0.000 0.000 0.280 53 R C -0.859 175.778 176.300 0.562 0.000 1.456 53 R CA -0.133 56.253 56.100 0.478 0.000 1.612 53 R CB 0.385 30.856 30.300 0.285 0.000 1.286 53 R HN 0.195 nan 8.270 nan 0.000 0.660 54 R N 1.329 122.106 120.500 0.461 0.000 2.221 54 R HA 0.208 4.548 4.340 0.000 0.000 0.327 54 R C 0.560 176.995 176.300 0.225 0.000 1.033 54 R CA -0.339 55.967 56.100 0.345 0.000 0.887 54 R CB 0.697 31.099 30.300 0.170 0.000 1.057 54 R HN 0.106 nan 8.270 nan 0.000 0.455 55 L N 2.495 123.854 121.223 0.228 0.000 2.095 55 L HA 0.031 4.371 4.340 0.000 0.000 0.204 55 L C 0.856 177.748 176.870 0.036 0.000 1.080 55 L CA 1.343 56.211 54.840 0.047 0.000 0.759 55 L CB -0.124 42.103 42.059 0.280 0.000 0.914 55 L HN 0.740 nan 8.230 nan 0.000 0.439 56 T N -2.808 111.796 114.554 0.084 0.000 2.907 56 T HA 0.520 4.870 4.350 0.000 0.000 0.292 56 T C -0.306 174.389 174.700 -0.009 0.000 1.043 56 T CA -0.878 61.216 62.100 -0.011 0.000 1.003 56 T CB 2.330 71.150 68.868 -0.080 0.000 1.084 56 T HN -0.007 nan 8.240 nan 0.000 0.483 57 R N 0.875 121.328 120.500 -0.079 0.000 2.410 57 R HA 0.541 4.881 4.340 0.000 0.000 0.288 57 R C -1.674 174.609 176.300 -0.030 0.000 1.051 57 R CA -0.685 55.367 56.100 -0.081 0.000 1.021 57 R CB 0.636 30.887 30.300 -0.081 0.000 1.032 57 R HN 0.798 nan 8.270 nan 0.000 0.481 58 Y N 2.499 122.643 120.300 -0.260 0.000 2.470 58 Y HA 0.376 4.926 4.550 0.000 0.000 0.341 58 Y C -1.228 174.514 175.900 -0.263 0.000 1.021 58 Y CA -0.997 56.944 58.100 -0.265 0.000 1.025 58 Y CB 1.564 39.864 38.460 -0.267 0.000 1.266 58 Y HN 0.567 nan 8.280 nan 0.000 0.448 59 R N 5.396 125.358 120.500 -0.897 0.000 2.198 59 R HA 0.309 4.649 4.340 0.000 0.000 0.339 59 R C -1.334 174.446 176.300 -0.867 0.000 1.020 59 R CA -0.548 55.180 56.100 -0.619 0.000 0.864 59 R CB 0.694 30.744 30.300 -0.416 0.000 1.105 59 R HN 0.618 nan 8.270 nan 0.000 0.463 60 Y N 1.702 121.726 120.300 -0.460 0.000 2.357 60 Y HA -0.082 4.468 4.550 0.000 0.000 0.340 60 Y C 1.299 177.054 175.900 -0.242 0.000 1.260 60 Y CA 0.048 57.964 58.100 -0.307 0.000 1.425 60 Y CB 0.490 38.874 38.460 -0.128 0.000 1.326 60 Y HN 0.651 nan 8.280 nan 0.000 0.580 61 N N 1.717 120.397 118.700 -0.033 0.000 2.714 61 N HA -0.289 4.451 4.740 0.000 0.000 0.252 61 N C -1.045 174.408 175.510 -0.095 0.000 1.014 61 N CA 0.418 53.447 53.050 -0.036 0.000 0.735 61 N CB -1.179 37.315 38.487 0.011 0.000 0.924 61 N HN 0.760 nan 8.380 nan 0.000 0.540 62 N N -0.093 118.500 118.700 -0.178 0.000 2.483 62 N HA 0.525 5.265 4.740 0.000 0.000 0.269 62 N C -0.203 175.235 175.510 -0.119 0.000 1.209 62 N CA -0.235 52.709 53.050 -0.177 0.000 0.969 62 N CB 0.562 38.888 38.487 -0.269 0.000 1.173 62 N HN 0.286 nan 8.380 nan 0.000 0.475 63 I N 2.652 123.163 120.570 -0.098 0.000 2.437 63 I HA 0.331 4.501 4.170 0.000 0.000 0.279 63 I C -1.907 174.164 176.117 -0.077 0.000 1.028 63 I CA -1.627 59.631 61.300 -0.070 0.000 1.142 63 I CB 1.292 39.261 38.000 -0.052 0.000 1.266 63 I HN 0.494 nan 8.210 nan 0.000 0.461 64 P HA 0.395 nan 4.420 nan 0.000 0.278 64 P C -0.323 176.920 177.300 -0.095 0.000 1.266 64 P CA -0.505 62.555 63.100 -0.067 0.000 0.807 64 P CB 0.861 32.527 31.700 -0.056 0.000 1.094 65 A N 0.595 123.360 122.820 -0.092 0.000 2.540 65 A HA 0.130 4.450 4.320 0.000 0.000 0.239 65 A C 0.740 178.243 177.584 -0.135 0.000 1.061 65 A CA 0.910 52.858 52.037 -0.148 0.000 0.758 65 A CB -1.152 17.732 19.000 -0.193 0.000 0.991 65 A HN 0.767 nan 8.150 nan 0.000 0.502 66 D N -0.770 119.523 120.400 -0.179 0.000 3.041 66 D HA -0.154 4.486 4.640 0.000 0.000 0.220 66 D C 0.211 176.529 176.300 0.029 0.000 1.157 66 D CA 1.416 55.408 54.000 -0.013 0.000 0.876 66 D CB -1.337 39.520 40.800 0.094 0.000 1.107 66 D HN 1.159 nan 8.370 nan 0.000 0.422 67 A N 0.615 123.403 122.820 -0.054 0.000 2.539 67 A HA 0.627 4.947 4.320 0.000 0.000 0.306 67 A C 0.933 178.538 177.584 0.036 0.000 1.392 67 A CA 0.713 52.759 52.037 0.016 0.000 1.060 67 A CB 0.201 19.164 19.000 -0.062 0.000 1.134 67 A HN 1.139 nan 8.150 nan 0.000 0.542 68 G N 0.821 109.730 108.800 0.182 0.000 2.404 68 G HA2 0.581 4.541 3.960 0.000 0.000 0.230 68 G HA3 0.581 4.541 3.960 0.000 0.000 0.230 68 G C -0.248 174.582 174.900 -0.118 0.000 1.516 68 G CA -0.029 45.087 45.100 0.026 0.000 1.026 68 G HN 2.130 nan 8.290 nan 0.000 0.660 69 G N 0.710 109.160 108.800 -0.583 0.000 2.435 69 G HA2 0.636 4.596 3.960 0.000 0.000 0.228 69 G HA3 0.636 4.596 3.960 0.000 0.000 0.228 69 G C -1.291 173.179 174.900 -0.716 0.000 1.198 69 G CA -0.793 43.991 45.100 -0.526 0.000 0.948 69 G HN 0.818 nan 8.290 nan 0.000 0.487 70 R N 0.323 120.547 120.500 -0.460 0.000 2.215 70 R HA 0.628 4.968 4.340 0.000 0.000 0.337 70 R C -1.363 174.951 176.300 0.024 0.000 1.010 70 R CA -0.243 55.752 56.100 -0.175 0.000 0.871 70 R CB 0.558 30.913 30.300 0.092 0.000 1.134 70 R HN 0.367 nan 8.270 nan 0.000 0.477 71 Y N 1.816 122.204 120.300 0.146 0.000 2.496 71 Y HA 0.547 5.097 4.550 0.000 0.000 0.331 71 Y C -0.356 175.569 175.900 0.043 0.000 1.140 71 Y CA -1.782 56.332 58.100 0.024 0.000 1.166 71 Y CB 1.531 39.904 38.460 -0.145 0.000 1.249 71 Y HN 0.318 nan 8.280 nan 0.000 0.479 72 L N 2.970 124.263 121.223 0.115 0.000 2.485 72 L HA 0.461 4.801 4.340 0.000 0.000 0.260 72 L C -1.899 174.957 176.870 -0.023 0.000 0.998 72 L CA -0.544 54.345 54.840 0.081 0.000 0.883 72 L CB 0.155 42.213 42.059 -0.002 0.000 1.196 72 L HN 0.462 nan 8.230 nan 0.000 0.443 73 Y N 3.558 123.928 120.300 0.117 0.000 2.359 73 Y HA 0.469 5.019 4.550 0.000 0.000 0.334 73 Y C 0.290 176.189 175.900 -0.003 0.000 1.058 73 Y CA -0.449 57.657 58.100 0.010 0.000 1.244 73 Y CB 1.208 39.697 38.460 0.049 0.000 1.187 73 Y HN 0.226 nan 8.280 nan 0.000 0.510 74 V N 4.384 124.189 119.914 -0.182 0.000 2.394 74 V HA 0.212 4.332 4.120 0.000 0.000 0.282 74 V C -0.271 175.776 176.094 -0.078 0.000 1.031 74 V CA -0.983 61.142 62.300 -0.293 0.000 0.881 74 V CB 1.294 32.512 31.823 -1.009 0.000 0.982 74 V HN 0.721 nan 8.190 nan 0.000 0.451 75 N N 3.645 122.426 118.700 0.135 0.000 2.476 75 N HA 0.206 4.946 4.740 0.000 0.000 0.257 75 N C -1.461 174.151 175.510 0.171 0.000 0.970 75 N CA -0.311 52.843 53.050 0.173 0.000 0.938 75 N CB 1.671 40.304 38.487 0.244 0.000 1.144 75 N HN 0.731 nan 8.380 nan 0.000 0.500 76 D N 2.524 123.050 120.400 0.210 0.000 2.460 76 D HA 0.383 5.023 4.640 0.000 0.000 0.232 76 D C 0.792 177.185 176.300 0.156 0.000 1.079 76 D CA -0.039 54.084 54.000 0.205 0.000 0.864 76 D CB 0.243 41.228 40.800 0.309 0.000 1.048 76 D HN 0.762 nan 8.370 nan 0.000 0.523 77 G N 2.764 111.633 108.800 0.116 0.000 2.283 77 G HA2 -0.077 3.883 3.960 0.000 0.000 0.280 77 G HA3 -0.077 3.883 3.960 0.000 0.000 0.280 77 G C 1.118 176.063 174.900 0.075 0.000 1.029 77 G CA 0.695 45.846 45.100 0.086 0.000 0.840 77 G HN 1.607 nan 8.290 nan 0.000 0.505 78 G N -0.970 107.877 108.800 0.079 0.000 2.268 78 G HA2 -0.215 3.745 3.960 0.000 0.000 0.240 78 G HA3 -0.215 3.745 3.960 0.000 0.000 0.240 78 G C 0.265 175.206 174.900 0.069 0.000 1.010 78 G CA 0.928 46.062 45.100 0.057 0.000 0.618 78 G HN 1.584 nan 8.290 nan 0.000 0.516 79 D N 0.769 121.236 120.400 0.111 0.000 2.312 79 D HA 0.487 5.127 4.640 0.000 0.000 0.252 79 D C 0.237 176.670 176.300 0.221 0.000 1.150 79 D CA -0.148 53.941 54.000 0.147 0.000 0.870 79 D CB 1.257 42.152 40.800 0.159 0.000 1.153 79 D HN 0.220 nan 8.370 nan 0.000 0.457 80 V N 6.247 126.270 119.914 0.181 0.000 2.459 80 V HA 0.618 4.738 4.120 0.000 0.000 0.295 80 V C -0.395 175.862 176.094 0.273 0.000 1.029 80 V CA -0.643 61.757 62.300 0.167 0.000 0.874 80 V CB 1.066 32.919 31.823 0.049 0.000 0.985 80 V HN 0.649 nan 8.190 nan 0.000 0.438 81 W N 2.913 124.245 121.300 0.054 0.000 3.025 81 W HA 0.759 5.419 4.660 0.000 0.000 0.343 81 W C -1.235 175.270 176.519 -0.022 0.000 1.246 81 W CA -0.911 56.435 57.345 0.002 0.000 1.178 81 W CB 1.321 30.799 29.460 0.029 0.000 1.463 81 W HN 0.563 nan 8.180 nan 0.000 0.578 82 T N -1.240 113.366 114.554 0.087 0.000 2.861 82 T HA 0.393 4.743 4.350 0.000 0.000 0.287 82 T C -1.841 172.988 174.700 0.214 0.000 1.003 82 T CA -1.679 60.338 62.100 -0.140 0.000 0.977 82 T CB 2.721 71.334 68.868 -0.425 0.000 0.996 82 T HN 0.255 nan 8.240 nan 0.000 0.448 83 P HA -0.031 nan 4.420 nan 0.000 0.229 83 P C 1.297 178.890 177.300 0.489 0.000 1.160 83 P CA 0.471 63.867 63.100 0.493 0.000 0.777 83 P CB -0.034 31.867 31.700 0.335 0.000 0.814 84 S N -3.905 112.000 115.700 0.341 0.000 2.607 84 S HA -0.016 4.454 4.470 0.000 0.000 0.224 84 S C 1.117 175.883 174.600 0.278 0.000 0.969 84 S CA -0.057 58.373 58.200 0.382 0.000 0.927 84 S CB -1.143 62.231 63.200 0.290 0.000 0.772 84 S HN 0.269 nan 8.310 nan 0.000 0.533 85 W N 0.635 121.942 121.300 0.012 0.000 1.437 85 W HA -0.344 4.316 4.660 0.000 0.000 0.269 85 W C -0.347 176.063 176.519 -0.182 0.000 1.682 85 W CA 0.946 58.214 57.345 -0.129 0.000 2.084 85 W CB -1.497 27.735 29.460 -0.379 0.000 1.127 85 W HN 0.317 nan 8.180 nan 0.000 0.444 86 L N 3.606 124.652 121.223 -0.296 0.000 2.506 86 L HA 0.023 4.363 4.340 0.000 0.000 0.281 86 L C -0.774 175.697 176.870 -0.664 0.000 1.228 86 L CA -0.183 54.373 54.840 -0.473 0.000 0.850 86 L CB -0.103 41.826 42.059 -0.217 0.000 1.110 86 L HN 0.057 nan 8.230 nan 0.000 0.496 87 P HA 0.003 nan 4.420 nan 0.000 0.252 87 P C 1.326 178.321 177.300 -0.509 0.000 1.218 87 P CA 0.342 63.081 63.100 -0.601 0.000 0.807 87 P CB 0.530 31.910 31.700 -0.534 0.000 1.072 88 V N 1.041 120.652 119.914 -0.505 0.000 2.548 88 V HA -0.096 4.024 4.120 0.000 0.000 0.249 88 V C 1.168 176.997 176.094 -0.442 0.000 1.055 88 V CA 1.151 63.243 62.300 -0.347 0.000 1.065 88 V CB -1.410 30.295 31.823 -0.196 0.000 0.681 88 V HN 0.200 nan 8.190 nan 0.000 0.462 89 K N -0.729 119.210 120.400 -0.768 0.000 3.117 89 K HA -0.188 4.132 4.320 0.000 0.000 0.269 89 K C 0.345 176.718 176.600 -0.378 0.000 1.098 89 K CA 0.287 55.860 56.287 -1.190 0.000 0.785 89 K CB -1.724 30.127 32.500 -1.083 0.000 1.242 89 K HN 0.587 nan 8.250 nan 0.000 0.491 90 A N 1.250 123.982 122.820 -0.147 0.000 2.371 90 A HA 0.219 4.539 4.320 0.000 0.000 0.257 90 A C 0.182 177.887 177.584 0.201 0.000 1.089 90 A CA -0.358 51.715 52.037 0.060 0.000 0.794 90 A CB 0.361 19.429 19.000 0.112 0.000 1.029 90 A HN 0.210 nan 8.150 nan 0.000 0.488 91 D N 1.420 121.909 120.400 0.148 0.000 2.472 91 D HA 0.228 4.868 4.640 0.000 0.000 0.248 91 D C -0.159 176.149 176.300 0.014 0.000 1.174 91 D CA 0.963 55.038 54.000 0.124 0.000 0.883 91 D CB 0.352 41.177 40.800 0.041 0.000 1.149 91 D HN 0.366 nan 8.370 nan 0.000 0.488 92 L N 2.524 123.766 121.223 0.032 0.000 2.309 92 L HA 0.190 4.530 4.340 0.000 0.000 0.282 92 L C 1.428 178.222 176.870 -0.126 0.000 1.036 92 L CA -0.840 53.966 54.840 -0.057 0.000 0.806 92 L CB 1.379 43.491 42.059 0.089 0.000 1.220 92 L HN 0.182 nan 8.230 nan 0.000 0.429 93 D N -0.003 120.269 120.400 -0.214 0.000 2.144 93 D HA -0.046 4.594 4.640 0.000 0.000 0.200 93 D C 0.374 176.334 176.300 -0.568 0.000 0.978 93 D CA 1.547 55.324 54.000 -0.372 0.000 0.833 93 D CB 0.257 40.832 40.800 -0.374 0.000 0.961 93 D HN 0.409 nan 8.370 nan 0.000 0.470 94 H N -1.771 117.311 119.070 0.019 0.000 2.930 94 H HA 0.388 4.944 4.556 0.000 0.000 0.371 94 H C -1.393 174.021 175.328 0.144 0.000 1.169 94 H CA -0.687 55.394 56.048 0.056 0.000 1.157 94 H CB 1.874 31.654 29.762 0.030 0.000 1.789 94 H HN -0.094 nan 8.280 nan 0.000 0.547 95 F N 1.194 121.210 119.950 0.111 0.000 2.615 95 F HA 0.426 4.953 4.527 0.000 0.000 0.312 95 F C -1.430 174.405 175.800 0.057 0.000 1.119 95 F CA -0.369 57.674 58.000 0.071 0.000 0.979 95 F CB 2.132 41.124 39.000 -0.013 0.000 1.266 95 F HN 0.610 nan 8.300 nan 0.000 0.444 96 E N 3.990 123.594 120.200 -0.994 0.000 2.352 96 E HA 0.760 5.110 4.350 0.000 0.000 0.280 96 E C -2.021 174.075 176.600 -0.841 0.000 0.930 96 E CA -0.958 55.024 56.400 -0.695 0.000 0.765 96 E CB 2.118 31.656 29.700 -0.270 0.000 1.219 96 E HN 0.897 nan 8.360 nan 0.000 0.434 97 A N 4.008 126.541 122.820 -0.478 0.000 2.343 97 A HA 0.708 5.028 4.320 0.000 0.000 0.316 97 A C -0.952 176.507 177.584 -0.207 0.000 1.104 97 A CA -0.670 51.211 52.037 -0.261 0.000 0.768 97 A CB 1.085 20.051 19.000 -0.057 0.000 1.213 97 A HN 0.575 nan 8.150 nan 0.000 0.456 98 R N 1.723 122.138 120.500 -0.141 0.000 2.393 98 R HA 0.399 4.739 4.340 0.000 0.000 0.315 98 R C -1.245 175.029 176.300 -0.043 0.000 0.952 98 R CA -0.433 55.605 56.100 -0.104 0.000 0.842 98 R CB 1.475 31.772 30.300 -0.006 0.000 1.163 98 R HN 0.871 nan 8.270 nan 0.000 0.450 99 H N 0.813 119.863 119.070 -0.034 0.000 2.556 99 H HA 0.338 4.894 4.556 0.000 0.000 0.310 99 H C 0.400 175.635 175.328 -0.154 0.000 1.057 99 H CA -0.575 55.431 56.048 -0.070 0.000 1.264 99 H CB 1.741 31.462 29.762 -0.069 0.000 1.404 99 H HN 0.763 nan 8.280 nan 0.000 0.462 100 G N 2.217 110.787 108.800 -0.384 0.000 2.938 100 G HA2 0.389 4.349 3.960 0.000 0.000 0.258 100 G HA3 0.389 4.349 3.960 0.000 0.000 0.258 100 G C -0.559 173.794 174.900 -0.912 0.000 1.356 100 G CA -0.933 43.679 45.100 -0.812 0.000 1.052 100 G HN 0.515 nan 8.290 nan 0.000 0.550 101 L N 1.528 122.137 121.223 -1.023 0.000 2.401 101 L HA 0.400 4.740 4.340 0.000 0.000 0.283 101 L C 1.386 178.050 176.870 -0.343 0.000 1.151 101 L CA 0.685 54.782 54.840 -1.237 0.000 0.942 101 L CB 0.054 41.161 42.059 -1.587 0.000 1.283 101 L HN 1.051 nan 8.230 nan 0.000 0.442 102 G N 2.511 111.355 108.800 0.074 0.000 2.175 102 G HA2 -0.297 3.663 3.960 0.000 0.000 0.244 102 G HA3 -0.297 3.663 3.960 0.000 0.000 0.244 102 G C -0.184 174.985 174.900 0.449 0.000 0.982 102 G CA 0.274 45.646 45.100 0.453 0.000 0.641 102 G HN 0.685 nan 8.290 nan 0.000 0.527 103 Y N -0.949 119.500 120.300 0.248 0.000 2.625 103 Y HA 0.834 5.384 4.550 0.000 0.000 0.338 103 Y C -0.296 175.761 175.900 0.262 0.000 1.123 103 Y CA -0.965 57.304 58.100 0.282 0.000 1.046 103 Y CB 0.956 39.520 38.460 0.174 0.000 1.299 103 Y HN 0.307 nan 8.280 nan 0.000 0.464 104 S N 0.922 116.895 115.700 0.456 0.000 2.595 104 S HA 0.702 5.172 4.470 0.000 0.000 0.281 104 S C -1.296 173.622 174.600 0.529 0.000 1.117 104 S CA -1.191 57.251 58.200 0.403 0.000 0.873 104 S CB 1.997 65.471 63.200 0.458 0.000 1.108 104 S HN 0.652 nan 8.310 nan 0.000 0.477 105 R N 0.954 121.678 120.500 0.374 0.000 2.534 105 R HA 0.652 4.992 4.340 0.000 0.000 0.301 105 R C -1.218 175.207 176.300 0.208 0.000 0.961 105 R CA -0.462 55.819 56.100 0.302 0.000 0.871 105 R CB 1.476 31.890 30.300 0.189 0.000 1.170 105 R HN 0.515 nan 8.270 nan 0.000 0.446 106 I N 1.586 122.312 120.570 0.260 0.000 2.465 106 I HA 0.355 4.526 4.170 0.000 0.000 0.291 106 I C -0.498 175.664 176.117 0.076 0.000 1.014 106 I CA -0.556 60.823 61.300 0.132 0.000 1.093 106 I CB 2.544 40.733 38.000 0.315 0.000 1.267 106 I HN 0.473 nan 8.210 nan 0.000 0.431 107 T N 3.994 118.488 114.554 -0.099 0.000 2.879 107 T HA 0.641 4.991 4.350 0.000 0.000 0.290 107 T C -0.169 174.551 174.700 0.033 0.000 0.993 107 T CA -0.712 61.387 62.100 -0.001 0.000 0.975 107 T CB 1.824 70.675 68.868 -0.028 0.000 0.981 107 T HN 0.810 nan 8.240 nan 0.000 0.439 108 G N 1.484 110.442 108.800 0.263 0.000 2.591 108 G HA2 0.687 4.647 3.960 0.000 0.000 0.306 108 G HA3 0.687 4.647 3.960 0.000 0.000 0.306 108 G C -1.619 173.543 174.900 0.438 0.000 1.334 108 G CA -0.563 44.792 45.100 0.425 0.000 0.981 108 G HN 0.657 nan 8.290 nan 0.000 0.491 109 E N 0.511 120.846 120.200 0.225 0.000 2.256 109 E HA 0.635 4.985 4.350 0.000 0.000 0.268 109 E C -0.826 175.563 176.600 -0.352 0.000 0.877 109 E CA -0.922 55.510 56.400 0.052 0.000 0.757 109 E CB 2.057 31.866 29.700 0.182 0.000 1.183 109 E HN 0.527 nan 8.360 nan 0.000 0.418 110 R N 3.747 123.798 120.500 -0.749 0.000 2.522 110 R HA 0.261 4.601 4.340 0.000 0.000 0.283 110 R C -0.965 175.040 176.300 -0.491 0.000 1.074 110 R CA -0.374 55.225 56.100 -0.836 0.000 0.925 110 R CB 0.719 30.071 30.300 -1.580 0.000 1.205 110 R HN 0.699 nan 8.270 nan 0.000 0.436 111 N N 2.704 121.245 118.700 -0.265 0.000 2.727 111 N HA -0.199 4.541 4.740 0.000 0.000 0.249 111 N C 0.455 175.950 175.510 -0.024 0.000 1.048 111 N CA 1.858 54.837 53.050 -0.119 0.000 0.714 111 N CB -1.043 37.382 38.487 -0.104 0.000 0.959 111 N HN 1.107 nan 8.380 nan 0.000 0.544 112 G N -1.676 107.121 108.800 -0.005 0.000 2.159 112 G HA2 -0.295 3.665 3.960 0.000 0.000 0.256 112 G HA3 -0.295 3.665 3.960 0.000 0.000 0.256 112 G C -0.139 174.827 174.900 0.110 0.000 0.977 112 G CA 0.398 45.531 45.100 0.054 0.000 0.652 112 G HN 0.426 nan 8.290 nan 0.000 0.531 113 L N 0.410 121.730 121.223 0.163 0.000 2.376 113 L HA 0.538 4.878 4.340 0.000 0.000 0.275 113 L C 0.177 177.263 176.870 0.360 0.000 0.987 113 L CA -0.853 54.162 54.840 0.292 0.000 0.828 113 L CB 1.984 44.316 42.059 0.455 0.000 1.249 113 L HN 0.157 nan 8.230 nan 0.000 0.409 114 K N 3.465 124.032 120.400 0.278 0.000 2.185 114 K HA 0.650 4.970 4.320 0.000 0.000 0.269 114 K C -1.464 175.300 176.600 0.273 0.000 0.987 114 K CA -0.503 55.950 56.287 0.276 0.000 0.865 114 K CB 1.748 34.347 32.500 0.164 0.000 1.090 114 K HN 0.349 nan 8.250 nan 0.000 0.450 115 V N 4.396 124.500 119.914 0.317 0.000 2.409 115 V HA 0.259 4.379 4.120 0.000 0.000 0.290 115 V C -0.647 175.542 176.094 0.159 0.000 1.017 115 V CA -0.777 61.639 62.300 0.194 0.000 0.841 115 V CB 1.248 33.140 31.823 0.115 0.000 1.003 115 V HN 0.872 nan 8.190 nan 0.000 0.426 116 E N 3.165 123.428 120.200 0.105 0.000 2.171 116 E HA 0.637 4.987 4.350 0.000 0.000 0.271 116 E C -1.095 175.531 176.600 0.044 0.000 0.916 116 E CA -0.418 56.028 56.400 0.078 0.000 0.774 116 E CB 1.780 31.515 29.700 0.058 0.000 1.128 116 E HN 0.629 nan 8.360 nan 0.000 0.403 117 T N 4.680 119.251 114.554 0.029 0.000 2.840 117 T HA 0.286 4.636 4.350 0.000 0.000 0.287 117 T C -0.880 173.755 174.700 -0.108 0.000 0.991 117 T CA -0.627 61.392 62.100 -0.135 0.000 0.964 117 T CB 0.794 69.457 68.868 -0.342 0.000 0.954 117 T HN 0.431 nan 8.240 nan 0.000 0.438 118 L N 4.465 125.632 121.223 -0.093 0.000 2.264 118 L HA 0.682 5.022 4.340 0.000 0.000 0.289 118 L C -1.556 175.350 176.870 0.060 0.000 1.044 118 L CA -0.263 54.627 54.840 0.084 0.000 0.807 118 L CB -0.207 41.895 42.059 0.072 0.000 1.192 118 L HN 0.511 nan 8.230 nan 0.000 0.425 119 F N 6.772 126.916 119.950 0.323 0.000 2.458 119 F HA 0.687 5.214 4.527 -0.000 0.000 0.336 119 F C -0.161 175.936 175.800 0.495 0.000 1.114 119 F CA -0.397 57.798 58.000 0.325 0.000 0.987 119 F CB 1.332 40.468 39.000 0.225 0.000 1.130 119 F HN 0.521 nan 8.300 nan 0.000 0.458 120 F N 0.004 120.119 119.950 0.276 0.000 2.713 120 F HA 0.772 5.299 4.527 0.000 0.000 0.311 120 F C -2.155 173.715 175.800 0.116 0.000 1.141 120 F CA -1.456 56.680 58.000 0.226 0.000 0.939 120 F CB 1.033 40.178 39.000 0.242 0.000 1.325 120 F HN 0.039 nan 8.300 nan 0.000 0.453 121 V N 2.874 122.818 119.914 0.051 0.000 2.350 121 V HA 0.423 4.543 4.120 0.000 0.000 0.276 121 V C -2.183 173.842 176.094 -0.115 0.000 1.028 121 V CA -1.815 60.395 62.300 -0.149 0.000 0.860 121 V CB 1.057 32.905 31.823 0.042 0.000 0.990 121 V HN 0.569 nan 8.190 nan 0.000 0.453 122 P HA 0.204 nan 4.420 nan 0.000 0.271 122 P C -0.196 177.100 177.300 -0.008 0.000 1.218 122 P CA -0.392 62.689 63.100 -0.031 0.000 0.780 122 P CB 0.512 32.173 31.700 -0.066 0.000 0.901 123 L N 1.832 123.070 121.223 0.025 0.000 2.578 123 L HA 0.123 4.463 4.340 0.000 0.000 0.279 123 L C 1.759 178.607 176.870 -0.036 0.000 1.227 123 L CA 1.084 55.870 54.840 -0.090 0.000 0.900 123 L CB -1.009 40.952 42.059 -0.164 0.000 1.144 123 L HN 0.843 nan 8.230 nan 0.000 0.496 124 G N 1.470 110.237 108.800 -0.054 0.000 2.179 124 G HA2 -0.198 3.762 3.960 0.000 0.000 0.260 124 G HA3 -0.198 3.762 3.960 0.000 0.000 0.260 124 G C 0.115 175.007 174.900 -0.014 0.000 0.977 124 G CA -0.267 44.823 45.100 -0.016 0.000 0.641 124 G HN 0.565 nan 8.290 nan 0.000 0.533 125 E N -0.054 120.113 120.200 -0.055 0.000 2.212 125 E HA 0.372 4.723 4.350 0.000 0.000 0.268 125 E C -0.471 175.993 176.600 -0.225 0.000 0.902 125 E CA -0.811 55.524 56.400 -0.109 0.000 0.779 125 E CB 0.976 30.598 29.700 -0.131 0.000 1.172 125 E HN 0.374 nan 8.360 nan 0.000 0.409 126 N N 0.786 119.326 118.700 -0.267 0.000 3.322 126 N HA 0.425 5.165 4.740 0.000 0.000 0.290 126 N C -0.913 173.859 175.510 -1.229 0.000 1.297 126 N CA -0.145 52.602 53.050 -0.506 0.000 1.167 126 N CB 0.841 39.335 38.487 0.011 0.000 1.434 126 N HN 0.383 nan 8.380 nan 0.000 0.526 127 A N 0.683 122.603 122.820 -1.500 0.000 2.604 127 A HA 0.403 4.723 4.320 0.000 0.000 0.295 127 A C -1.336 175.784 177.584 -0.774 0.000 1.067 127 A CA -0.744 50.636 52.037 -1.096 0.000 0.683 127 A CB 1.411 20.081 19.000 -0.552 0.000 1.281 127 A HN 0.371 nan 8.150 nan 0.000 0.407 128 E N 1.378 121.392 120.200 -0.310 0.000 2.133 128 E HA 0.573 4.923 4.350 0.000 0.000 0.274 128 E C -1.327 175.164 176.600 -0.181 0.000 0.930 128 E CA -0.438 55.908 56.400 -0.090 0.000 0.770 128 E CB 1.362 31.181 29.700 0.199 0.000 1.104 128 E HN 0.447 nan 8.360 nan 0.000 0.403 129 V N 4.482 124.150 119.914 -0.409 0.000 2.532 129 V HA 0.281 4.401 4.120 0.000 0.000 0.295 129 V C -0.298 175.732 176.094 -0.107 0.000 1.041 129 V CA -0.574 61.484 62.300 -0.403 0.000 0.926 129 V CB 1.690 32.975 31.823 -0.898 0.000 0.992 129 V HN 0.743 nan 8.190 nan 0.000 0.457 130 Q N 3.113 122.917 119.800 0.006 0.000 2.330 130 Q HA 0.447 4.787 4.340 0.000 0.000 0.269 130 Q C -0.835 175.207 176.000 0.070 0.000 1.022 130 Q CA -0.590 55.193 55.803 -0.033 0.000 0.796 130 Q CB 2.718 31.410 28.738 -0.077 0.000 1.271 130 Q HN 0.590 nan 8.270 nan 0.000 0.450 131 K N 2.788 123.218 120.400 0.051 0.000 2.293 131 K HA 0.443 4.763 4.320 0.000 0.000 0.267 131 K C -1.270 175.353 176.600 0.038 0.000 1.010 131 K CA -0.416 55.918 56.287 0.079 0.000 0.875 131 K CB 1.048 33.607 32.500 0.098 0.000 1.106 131 K HN 0.357 nan 8.250 nan 0.000 0.450 132 V N 3.589 123.560 119.914 0.094 0.000 2.435 132 V HA 0.325 4.445 4.120 0.000 0.000 0.290 132 V C -0.335 175.803 176.094 0.074 0.000 1.030 132 V CA -0.531 61.820 62.300 0.084 0.000 0.881 132 V CB 1.814 33.751 31.823 0.190 0.000 0.983 132 V HN 0.813 nan 8.190 nan 0.000 0.445 133 T N 4.344 118.933 114.554 0.059 0.000 2.809 133 T HA 0.534 4.884 4.350 0.000 0.000 0.284 133 T C -0.487 174.256 174.700 0.072 0.000 0.992 133 T CA -0.361 61.773 62.100 0.056 0.000 0.957 133 T CB 1.518 70.411 68.868 0.042 0.000 0.942 133 T HN 0.336 nan 8.240 nan 0.000 0.439 134 V N 3.923 123.881 119.914 0.074 0.000 2.398 134 V HA 0.602 4.722 4.120 0.000 0.000 0.286 134 V C 0.180 176.326 176.094 0.085 0.000 1.026 134 V CA -0.599 61.756 62.300 0.091 0.000 0.868 134 V CB 1.613 33.487 31.823 0.085 0.000 0.982 134 V HN 0.960 nan 8.190 nan 0.000 0.443 135 T N 3.669 118.285 114.554 0.103 0.000 2.861 135 T HA 0.314 4.664 4.350 0.000 0.000 0.287 135 T C -0.307 174.455 174.700 0.103 0.000 1.003 135 T CA -0.556 61.596 62.100 0.086 0.000 0.977 135 T CB 1.385 70.296 68.868 0.073 0.000 0.996 135 T HN 0.605 nan 8.240 nan 0.000 0.448 136 N N 2.078 120.828 118.700 0.084 0.000 2.406 136 N HA 0.115 4.855 4.740 0.000 0.000 0.251 136 N C 1.042 176.594 175.510 0.070 0.000 1.069 136 N CA -0.269 52.832 53.050 0.085 0.000 0.947 136 N CB 0.972 39.500 38.487 0.069 0.000 1.111 136 N HN 0.739 nan 8.380 nan 0.000 0.497 137 T N -0.631 113.968 114.554 0.076 0.000 3.086 137 T HA 0.106 4.456 4.350 0.000 0.000 0.250 137 T C 0.972 175.703 174.700 0.053 0.000 1.074 137 T CA -0.293 61.844 62.100 0.062 0.000 0.988 137 T CB -0.284 68.627 68.868 0.071 0.000 0.988 137 T HN 0.386 nan 8.240 nan 0.000 0.530 138 S N 1.939 117.671 115.700 0.053 0.000 2.671 138 S HA 0.334 4.804 4.470 0.000 0.000 0.272 138 S C 0.507 175.128 174.600 0.036 0.000 1.174 138 S CA -0.152 58.074 58.200 0.043 0.000 1.004 138 S CB 0.986 64.213 63.200 0.045 0.000 1.077 138 S HN 0.347 nan 8.310 nan 0.000 0.553 139 D N -0.612 119.806 120.400 0.031 0.000 2.368 139 D HA 0.474 5.114 4.640 0.000 0.000 0.218 139 D C 0.170 176.485 176.300 0.026 0.000 1.112 139 D CA -0.152 53.864 54.000 0.026 0.000 0.834 139 D CB -0.103 40.710 40.800 0.021 0.000 0.953 139 D HN 0.687 nan 8.370 nan 0.000 0.505 140 A N 0.094 122.933 122.820 0.030 0.000 2.527 140 A HA 0.704 5.024 4.320 0.000 0.000 0.293 140 A C -2.907 174.698 177.584 0.036 0.000 1.117 140 A CA -1.804 50.251 52.037 0.030 0.000 0.723 140 A CB 1.082 20.099 19.000 0.029 0.000 1.313 140 A HN -0.104 nan 8.150 nan 0.000 0.411 141 P HA 0.247 nan 4.420 nan 0.000 0.269 141 P C -0.858 176.470 177.300 0.047 0.000 1.215 141 P CA 0.072 63.195 63.100 0.038 0.000 0.780 141 P CB 0.428 32.147 31.700 0.033 0.000 0.898 142 K N 1.368 121.801 120.400 0.055 0.000 2.316 142 K HA 0.569 4.889 4.320 0.000 0.000 0.251 142 K C -0.627 176.012 176.600 0.065 0.000 0.934 142 K CA -0.372 55.956 56.287 0.069 0.000 0.802 142 K CB 2.049 34.602 32.500 0.088 0.000 1.171 142 K HN 0.306 nan 8.250 nan 0.000 0.426 143 T N 0.894 115.489 114.554 0.069 0.000 2.848 143 T HA 0.731 5.081 4.350 0.000 0.000 0.285 143 T C -1.105 173.643 174.700 0.080 0.000 0.995 143 T CA -0.629 61.508 62.100 0.063 0.000 0.970 143 T CB 1.642 70.540 68.868 0.050 0.000 0.976 143 T HN 0.642 nan 8.240 nan 0.000 0.441 144 A N 2.232 125.097 122.820 0.074 0.000 2.572 144 A HA 0.833 5.153 4.320 0.000 0.000 0.295 144 A C -0.523 177.090 177.584 0.047 0.000 1.072 144 A CA -0.818 51.271 52.037 0.086 0.000 0.691 144 A CB 1.649 20.715 19.000 0.110 0.000 1.291 144 A HN 0.630 nan 8.150 nan 0.000 0.404 145 T N 1.961 116.547 114.554 0.054 0.000 2.797 145 T HA 0.593 4.943 4.350 0.000 0.000 0.279 145 T C -0.570 174.092 174.700 -0.064 0.000 0.991 145 T CA -0.186 61.880 62.100 -0.057 0.000 0.979 145 T CB 0.557 69.369 68.868 -0.094 0.000 0.943 145 T HN 0.441 nan 8.240 nan 0.000 0.444 146 L N 3.724 124.858 121.223 -0.149 0.000 2.296 146 L HA 0.579 4.919 4.340 0.000 0.000 0.286 146 L C -1.031 175.793 176.870 -0.077 0.000 1.023 146 L CA -0.795 54.039 54.840 -0.009 0.000 0.812 146 L CB 0.883 42.972 42.059 0.051 0.000 1.223 146 L HN 0.606 nan 8.230 nan 0.000 0.421 147 F N 1.129 121.216 119.950 0.228 0.000 2.403 147 F HA 0.315 4.842 4.527 0.000 0.000 0.355 147 F C 0.834 176.862 175.800 0.379 0.000 1.119 147 F CA -0.707 57.493 58.000 0.335 0.000 1.007 147 F CB 1.859 41.104 39.000 0.408 0.000 1.194 147 F HN 0.465 nan 8.300 nan 0.000 0.443 148 S N 2.921 118.882 115.700 0.434 0.000 2.614 148 S HA 0.660 5.130 4.470 0.000 0.000 0.265 148 S C -0.967 173.898 174.600 0.440 0.000 1.303 148 S CA -0.470 57.930 58.200 0.332 0.000 1.000 148 S CB 1.567 64.885 63.200 0.196 0.000 0.935 148 S HN 0.549 nan 8.310 nan 0.000 0.551 149 F N 0.569 120.620 119.950 0.168 0.000 2.651 149 F HA 0.610 5.137 4.527 0.000 0.000 0.329 149 F C -1.423 174.197 175.800 -0.300 0.000 1.186 149 F CA -0.662 57.284 58.000 -0.091 0.000 1.046 149 F CB 1.309 40.344 39.000 0.058 0.000 1.296 149 F HN 0.684 nan 8.300 nan 0.000 0.497 150 V N 5.627 124.788 119.914 -1.255 0.000 2.925 150 V HA 0.476 4.596 4.120 0.000 0.000 0.311 150 V C -1.338 173.804 176.094 -1.588 0.000 1.104 150 V CA -0.426 61.068 62.300 -1.344 0.000 0.954 150 V CB 2.137 33.159 31.823 -1.335 0.000 1.022 150 V HN 0.839 nan 8.190 nan 0.000 0.427 151 E N 4.148 123.666 120.200 -1.136 0.000 2.134 151 E HA 0.445 4.795 4.350 0.000 0.000 0.278 151 E C -1.329 174.889 176.600 -0.636 0.000 0.959 151 E CA -0.536 55.386 56.400 -0.796 0.000 0.783 151 E CB 0.927 30.413 29.700 -0.356 0.000 1.095 151 E HN 0.513 nan 8.360 nan 0.000 0.399 152 F N 2.699 122.403 119.950 -0.410 0.000 2.410 152 F HA 0.199 4.726 4.527 0.000 0.000 0.334 152 F C 0.722 176.326 175.800 -0.325 0.000 1.134 152 F CA -0.646 57.080 58.000 -0.457 0.000 1.227 152 F CB 0.758 39.237 39.000 -0.869 0.000 1.194 152 F HN 0.401 nan 8.300 nan 0.000 0.571 153 C N 3.880 123.148 119.300 -0.054 0.000 2.391 153 C HA 0.551 5.011 4.460 0.000 0.000 0.339 153 C C 0.582 175.525 174.990 -0.078 0.000 1.205 153 C CA -0.966 58.022 59.018 -0.049 0.000 1.937 153 C CB 0.033 27.744 27.740 -0.048 0.000 2.341 153 C HN 0.734 nan 8.230 nan 0.000 0.516 154 L N 5.685 126.923 121.223 0.025 0.000 2.955 154 L HA 0.198 4.538 4.340 0.000 0.000 0.238 154 L C 0.511 177.493 176.870 0.188 0.000 1.359 154 L CA 0.241 55.135 54.840 0.090 0.000 1.214 154 L CB -1.004 41.151 42.059 0.159 0.000 1.600 154 L HN 1.051 nan 8.230 nan 0.000 0.442 155 W N -1.761 119.683 121.300 0.240 0.000 0.513 155 W HA -0.363 4.297 4.660 0.000 0.000 0.215 155 W C 1.201 177.809 176.519 0.149 0.000 0.928 155 W CA 1.013 58.494 57.345 0.227 0.000 0.473 155 W CB -1.053 28.565 29.460 0.263 0.000 1.889 155 W HN 0.417 nan 8.180 nan 0.000 0.736 156 N N 1.713 120.620 118.700 0.344 0.000 2.439 156 N HA 0.435 5.175 4.740 0.000 0.000 0.243 156 N C 0.668 176.235 175.510 0.095 0.000 1.088 156 N CA 0.886 54.048 53.050 0.187 0.000 0.940 156 N CB 1.138 39.715 38.487 0.150 0.000 1.180 156 N HN 0.292 nan 8.380 nan 0.000 0.505 157 A N 3.672 126.526 122.820 0.056 0.000 1.933 157 A HA -0.197 4.123 4.320 0.000 0.000 0.218 157 A C 1.954 179.516 177.584 -0.036 0.000 1.175 157 A CA 1.435 53.467 52.037 -0.009 0.000 0.628 157 A CB -0.494 18.474 19.000 -0.054 0.000 0.814 157 A HN 0.814 nan 8.150 nan 0.000 0.444 158 Q N -0.276 119.505 119.800 -0.032 0.000 2.050 158 Q HA -0.271 4.069 4.340 0.000 0.000 0.202 158 Q C 1.797 177.756 176.000 -0.068 0.000 0.980 158 Q CA 2.173 57.947 55.803 -0.049 0.000 0.840 158 Q CB -0.281 28.436 28.738 -0.036 0.000 0.898 158 Q HN 0.710 nan 8.270 nan 0.000 0.424 159 D N -0.283 120.089 120.400 -0.046 0.000 2.097 159 D HA -0.209 4.431 4.640 0.000 0.000 0.195 159 D C 1.512 177.724 176.300 -0.148 0.000 0.989 159 D CA 1.584 55.539 54.000 -0.074 0.000 0.827 159 D CB -0.225 40.568 40.800 -0.012 0.000 0.966 159 D HN 0.392 nan 8.370 nan 0.000 0.456 160 D N -0.744 119.605 120.400 -0.086 0.000 2.158 160 D HA -0.200 4.440 4.640 0.000 0.000 0.197 160 D C 1.795 177.962 176.300 -0.223 0.000 0.995 160 D CA 1.232 55.177 54.000 -0.090 0.000 0.846 160 D CB 0.072 40.865 40.800 -0.011 0.000 0.941 160 D HN 0.321 nan 8.370 nan 0.000 0.456 161 Q N -1.800 117.879 119.800 -0.201 0.000 2.384 161 Q HA 0.099 4.439 4.340 0.000 0.000 0.207 161 Q C 1.177 177.014 176.000 -0.272 0.000 0.904 161 Q CA 1.112 56.825 55.803 -0.150 0.000 0.933 161 Q CB 0.826 29.532 28.738 -0.053 0.000 1.077 161 Q HN 0.412 nan 8.270 nan 0.000 0.522 162 T N -4.420 109.898 114.554 -0.392 0.000 2.993 162 T HA 0.124 4.474 4.350 0.000 0.000 0.260 162 T C 0.711 175.217 174.700 -0.324 0.000 0.939 162 T CA -0.222 61.717 62.100 -0.268 0.000 0.886 162 T CB 0.099 68.896 68.868 -0.119 0.000 1.209 162 T HN -0.095 nan 8.240 nan 0.000 0.518 163 N N 0.404 118.835 118.700 -0.449 0.000 2.535 163 N HA 0.304 5.044 4.740 0.000 0.000 0.294 163 N C -0.009 175.366 175.510 -0.225 0.000 1.408 163 N CA -0.796 52.111 53.050 -0.237 0.000 0.927 163 N CB -0.318 38.084 38.487 -0.142 0.000 1.276 163 N HN 0.245 nan 8.380 nan 0.000 0.505 164 Y N 0.389 120.693 120.300 0.006 0.000 2.241 164 Y HA -0.267 4.283 4.550 0.000 0.000 0.286 164 Y C 2.302 178.164 175.900 -0.063 0.000 1.166 164 Y CA 1.490 59.577 58.100 -0.021 0.000 1.203 164 Y CB -0.485 37.981 38.460 0.010 0.000 0.977 164 Y HN 0.432 nan 8.280 nan 0.000 0.529 165 Q N 0.868 120.723 119.800 0.092 0.000 2.234 165 Q HA -0.215 4.125 4.340 0.000 0.000 0.206 165 Q C 2.070 178.063 176.000 -0.011 0.000 0.980 165 Q CA 2.075 57.898 55.803 0.033 0.000 0.869 165 Q CB -0.428 28.328 28.738 0.029 0.000 0.912 165 Q HN 0.546 nan 8.270 nan 0.000 0.436 166 R N 0.717 121.206 120.500 -0.019 0.000 2.074 166 R HA -0.017 4.323 4.340 0.000 0.000 0.218 166 R C 1.383 177.657 176.300 -0.044 0.000 1.137 166 R CA 1.215 57.298 56.100 -0.029 0.000 0.998 166 R CB -0.164 30.124 30.300 -0.020 0.000 0.895 166 R HN 0.538 nan 8.270 nan 0.000 0.442 167 N N 0.528 119.206 118.700 -0.036 0.000 2.412 167 N HA -0.043 4.697 4.740 0.000 0.000 0.184 167 N C 1.384 176.863 175.510 -0.052 0.000 1.101 167 N CA 0.543 53.580 53.050 -0.021 0.000 0.881 167 N CB -0.203 38.280 38.487 -0.006 0.000 0.969 167 N HN 0.324 nan 8.380 nan 0.000 0.459 168 L N -0.609 120.538 121.223 -0.127 0.000 2.456 168 L HA 0.087 4.427 4.340 0.000 0.000 0.224 168 L C 0.975 177.571 176.870 -0.456 0.000 1.148 168 L CA 0.644 55.242 54.840 -0.402 0.000 0.825 168 L CB -0.138 41.492 42.059 -0.714 0.000 0.937 168 L HN 0.178 nan 8.230 nan 0.000 0.450 169 S N -0.369 115.179 115.700 -0.254 0.000 2.554 169 S HA 0.200 4.670 4.470 0.000 0.000 0.226 169 S C 1.475 176.028 174.600 -0.078 0.000 0.980 169 S CA -0.202 57.889 58.200 -0.183 0.000 0.939 169 S CB 0.337 63.459 63.200 -0.130 0.000 0.832 169 S HN 0.469 nan 8.310 nan 0.000 0.486 170 I N -1.583 118.962 120.570 -0.042 0.000 4.139 170 I HA 0.436 4.606 4.170 0.000 0.000 0.335 170 I C 0.933 177.089 176.117 0.065 0.000 1.327 170 I CA -0.421 60.892 61.300 0.022 0.000 1.112 170 I CB -0.352 37.675 38.000 0.044 0.000 1.058 170 I HN 0.068 nan 8.210 nan 0.000 0.396 171 G N 2.605 111.444 108.800 0.065 0.000 2.299 171 G HA2 0.240 4.200 3.960 0.000 0.000 0.256 171 G HA3 0.240 4.200 3.960 0.000 0.000 0.256 171 G C -0.587 174.394 174.900 0.136 0.000 1.259 171 G CA 0.056 45.240 45.100 0.140 0.000 0.943 171 G HN 0.536 nan 8.290 nan 0.000 0.479 172 E N 0.111 120.405 120.200 0.157 0.000 2.317 172 E HA 0.550 4.900 4.350 0.000 0.000 0.270 172 E C -0.401 176.279 176.600 0.132 0.000 0.885 172 E CA -0.897 55.579 56.400 0.126 0.000 0.760 172 E CB 2.721 32.479 29.700 0.097 0.000 1.227 172 E HN 0.490 nan 8.360 nan 0.000 0.434 173 V N -1.393 118.590 119.914 0.114 0.000 3.130 173 V HA 0.647 4.767 4.120 0.000 0.000 0.310 173 V C -0.839 175.295 176.094 0.066 0.000 1.158 173 V CA -0.841 61.521 62.300 0.103 0.000 1.029 173 V CB 2.164 34.076 31.823 0.149 0.000 1.057 173 V HN 0.675 nan 8.190 nan 0.000 0.436 174 E N 0.416 120.657 120.200 0.069 0.000 2.312 174 E HA 0.773 5.123 4.350 0.000 0.000 0.267 174 E C -1.708 174.954 176.600 0.104 0.000 0.894 174 E CA -0.918 55.503 56.400 0.036 0.000 0.773 174 E CB 2.813 32.450 29.700 -0.105 0.000 1.241 174 E HN 0.605 nan 8.360 nan 0.000 0.432 175 V N 1.476 121.388 119.914 -0.003 0.000 2.540 175 V HA 0.283 4.403 4.120 0.000 0.000 0.302 175 V C -0.573 175.479 176.094 -0.071 0.000 1.035 175 V CA -0.589 61.642 62.300 -0.116 0.000 0.873 175 V CB 1.715 33.238 31.823 -0.500 0.000 0.992 175 V HN 0.708 nan 8.190 nan 0.000 0.428 176 E N 3.109 123.324 120.200 0.026 0.000 2.873 176 E HA 0.280 4.630 4.350 0.000 0.000 0.232 176 E C 0.409 177.017 176.600 0.012 0.000 1.123 176 E CA -0.414 56.023 56.400 0.061 0.000 0.809 176 E CB 0.945 30.796 29.700 0.252 0.000 1.366 176 E HN 0.636 nan 8.360 nan 0.000 0.400 177 Q N 1.153 120.925 119.800 -0.047 0.000 2.167 177 Q HA -0.069 4.271 4.340 0.000 0.000 0.202 177 Q C -0.161 175.832 176.000 -0.011 0.000 0.970 177 Q CA 1.094 56.894 55.803 -0.004 0.000 0.855 177 Q CB 0.332 29.097 28.738 0.044 0.000 0.911 177 Q HN 0.533 nan 8.270 nan 0.000 0.438 178 D N 0.601 120.990 120.400 -0.018 0.000 3.018 178 D HA 0.255 4.896 4.640 0.000 0.000 0.331 178 D C 0.183 176.442 176.300 -0.068 0.000 1.334 178 D CA 0.032 54.009 54.000 -0.039 0.000 0.900 178 D CB 0.403 41.187 40.800 -0.027 0.000 1.059 178 D HN 0.062 nan 8.370 nan 0.000 0.498 179 G N 1.205 109.956 108.800 -0.082 0.000 2.525 179 G HA2 0.266 4.226 3.960 0.000 0.000 0.287 179 G HA3 0.266 4.226 3.960 0.000 0.000 0.287 179 G C -1.271 173.471 174.900 -0.263 0.000 1.350 179 G CA -0.697 44.313 45.100 -0.150 0.000 1.039 179 G HN -0.015 nan 8.290 nan 0.000 0.513 180 P HA 0.004 nan 4.420 nan 0.000 0.222 180 P C 0.565 177.421 177.300 -0.740 0.000 1.153 180 P CA 1.185 63.928 63.100 -0.595 0.000 0.798 180 P CB 0.251 31.502 31.700 -0.748 0.000 0.796 181 H N -1.907 117.083 119.070 -0.133 0.000 2.923 181 H HA 0.486 5.042 4.556 0.000 0.000 0.268 181 H C 1.195 176.451 175.328 -0.120 0.000 1.148 181 H CA 0.720 56.704 56.048 -0.106 0.000 1.146 181 H CB 1.303 31.013 29.762 -0.086 0.000 1.607 181 H HN 0.164 nan 8.280 nan 0.000 0.566 182 G N 0.273 109.025 108.800 -0.080 0.000 2.302 182 G HA2 -0.041 3.919 3.960 0.000 0.000 0.264 182 G HA3 -0.041 3.919 3.960 0.000 0.000 0.264 182 G C -1.315 173.500 174.900 -0.143 0.000 1.335 182 G CA -0.715 44.313 45.100 -0.120 0.000 0.982 182 G HN 0.092 nan 8.290 nan 0.000 0.473 183 S N -0.246 115.309 115.700 -0.241 0.000 2.541 183 S HA 0.843 5.313 4.470 0.000 0.000 0.283 183 S C 0.234 174.643 174.600 -0.319 0.000 1.196 183 S CA 0.343 58.389 58.200 -0.257 0.000 1.062 183 S CB 1.367 64.368 63.200 -0.332 0.000 1.009 183 S HN 1.804 nan 8.310 nan 0.000 0.502 184 A N 2.562 125.346 122.820 -0.059 0.000 2.515 184 A HA 0.813 5.133 4.320 0.000 0.000 0.298 184 A C -1.116 176.525 177.584 0.095 0.000 1.059 184 A CA -0.628 51.403 52.037 -0.010 0.000 0.698 184 A CB 0.855 19.775 19.000 -0.133 0.000 1.289 184 A HN 0.749 nan 8.150 nan 0.000 0.404 185 I N 1.098 121.721 120.570 0.089 0.000 2.441 185 I HA 0.403 4.573 4.170 0.000 0.000 0.295 185 I C -1.360 174.680 176.117 -0.128 0.000 0.994 185 I CA -0.520 60.835 61.300 0.092 0.000 1.144 185 I CB 1.774 39.914 38.000 0.234 0.000 1.314 185 I HN 0.664 nan 8.210 nan 0.000 0.445 186 Y N 4.137 124.462 120.300 0.042 0.000 2.328 186 Y HA 0.302 4.852 4.550 0.000 0.000 0.337 186 Y C 0.128 175.958 175.900 -0.118 0.000 0.966 186 Y CA -0.541 57.516 58.100 -0.072 0.000 1.136 186 Y CB 0.957 39.239 38.460 -0.296 0.000 1.170 186 Y HN 0.467 nan 8.280 nan 0.000 0.470 187 H N 5.181 124.087 119.070 -0.273 0.000 2.594 187 H HA 0.264 4.820 4.556 0.000 0.000 0.304 187 H C -0.304 174.965 175.328 -0.098 0.000 1.068 187 H CA -0.601 55.139 56.048 -0.513 0.000 1.308 187 H CB 0.898 29.729 29.762 -1.552 0.000 1.409 187 H HN 0.892 nan 8.280 nan 0.000 0.460 188 K N 2.975 123.196 120.400 -0.298 0.000 2.706 188 K HA 0.171 4.491 4.320 0.000 0.000 0.203 188 K C -0.505 176.063 176.600 -0.053 0.000 1.102 188 K CA -0.559 55.636 56.287 -0.154 0.000 1.058 188 K CB 0.414 32.791 32.500 -0.206 0.000 0.779 188 K HN 0.233 nan 8.250 nan 0.000 0.483 189 T N 2.895 117.330 114.554 -0.198 0.000 2.822 189 T HA -0.056 4.294 4.350 0.000 0.000 0.288 189 T C 0.141 174.946 174.700 0.175 0.000 0.991 189 T CA 0.818 62.952 62.100 0.056 0.000 1.176 189 T CB 0.126 69.070 68.868 0.126 0.000 0.951 189 T HN 0.572 nan 8.240 nan 0.000 0.526 190 E N 0.295 120.576 120.200 0.135 0.000 3.801 190 E HA -0.284 4.066 4.350 0.000 0.000 0.319 190 E C 0.229 176.852 176.600 0.039 0.000 0.784 190 E CA 0.639 57.092 56.400 0.088 0.000 1.183 190 E CB -1.429 28.323 29.700 0.088 0.000 1.601 190 E HN 0.865 nan 8.360 nan 0.000 0.441 191 Y N 1.159 121.412 120.300 -0.078 0.000 2.293 191 Y HA -0.104 4.446 4.550 0.000 0.000 0.291 191 Y C 2.481 178.411 175.900 0.050 0.000 1.137 191 Y CA 2.201 60.215 58.100 -0.145 0.000 1.202 191 Y CB -0.082 38.270 38.460 -0.180 0.000 0.990 191 Y HN 0.110 nan 8.280 nan 0.000 0.537 192 R N 0.645 121.340 120.500 0.325 0.000 2.133 192 R HA -0.234 4.106 4.340 0.000 0.000 0.247 192 R C 1.117 177.534 176.300 0.195 0.000 1.151 192 R CA 2.061 58.371 56.100 0.350 0.000 0.971 192 R CB -0.134 30.291 30.300 0.209 0.000 0.866 192 R HN 0.663 nan 8.270 nan 0.000 0.447 193 E N -1.096 119.155 120.200 0.084 0.000 3.868 193 E HA 0.133 4.483 4.350 0.000 0.000 0.331 193 E C 1.364 177.940 176.600 -0.040 0.000 0.699 193 E CA -0.664 55.755 56.400 0.031 0.000 1.672 193 E CB -0.259 29.457 29.700 0.027 0.000 2.271 193 E HN -0.022 nan 8.360 nan 0.000 0.482 194 R N 0.168 120.636 120.500 -0.054 0.000 2.275 194 R HA 0.204 4.544 4.340 0.000 0.000 0.199 194 R C 0.267 176.470 176.300 -0.161 0.000 0.989 194 R CA 0.083 56.135 56.100 -0.079 0.000 1.016 194 R CB -0.091 30.190 30.300 -0.033 0.000 0.918 194 R HN 0.126 nan 8.270 nan 0.000 0.473 195 R N 1.972 122.311 120.500 -0.270 0.000 2.340 195 R HA 0.001 4.341 4.340 0.000 0.000 0.300 195 R C 0.012 175.959 176.300 -0.587 0.000 1.069 195 R CA -0.077 55.700 56.100 -0.538 0.000 0.984 195 R CB 0.585 30.355 30.300 -0.884 0.000 1.003 195 R HN 0.130 nan 8.270 nan 0.000 0.459 196 D N 1.505 121.643 120.400 -0.437 0.000 2.388 196 D HA -0.022 4.618 4.640 0.000 0.000 0.221 196 D C -0.081 176.144 176.300 -0.124 0.000 1.133 196 D CA 0.001 53.806 54.000 -0.324 0.000 0.831 196 D CB 0.161 40.865 40.800 -0.160 0.000 0.962 196 D HN 0.566 nan 8.370 nan 0.000 0.502 197 H N -1.276 117.693 119.070 -0.169 0.000 2.821 197 H HA 0.553 5.109 4.556 0.000 0.000 0.373 197 H C -1.026 174.113 175.328 -0.315 0.000 1.165 197 H CA -1.007 54.766 56.048 -0.458 0.000 1.154 197 H CB 0.867 30.177 29.762 -0.753 0.000 1.765 197 H HN 0.069 nan 8.280 nan 0.000 0.549 198 Y N -0.382 119.768 120.300 -0.250 0.000 2.689 198 Y HA 0.797 5.347 4.550 0.000 0.000 0.333 198 Y C -1.450 174.566 175.900 0.192 0.000 1.190 198 Y CA -1.415 56.683 58.100 -0.002 0.000 1.063 198 Y CB 0.915 39.206 38.460 -0.281 0.000 1.294 198 Y HN 0.935 nan 8.280 nan 0.000 0.466 199 A N 1.002 124.166 122.820 0.573 0.000 2.340 199 A HA 0.779 5.099 4.320 0.000 0.000 0.331 199 A C -1.442 176.347 177.584 0.343 0.000 1.140 199 A CA -0.784 51.516 52.037 0.437 0.000 0.801 199 A CB 1.540 20.768 19.000 0.380 0.000 1.234 199 A HN 1.138 nan 8.150 nan 0.000 0.469 200 V N 1.878 121.954 119.914 0.270 0.000 2.715 200 V HA 0.813 4.933 4.120 0.000 0.000 0.310 200 V C -1.788 174.487 176.094 0.300 0.000 1.054 200 V CA -0.644 61.705 62.300 0.081 0.000 0.928 200 V CB 1.691 33.458 31.823 -0.094 0.000 1.007 200 V HN 0.878 nan 8.190 nan 0.000 0.437 201 F N 4.956 124.964 119.950 0.097 0.000 2.553 201 F HA 0.880 5.407 4.527 0.000 0.000 0.335 201 F C 0.078 175.989 175.800 0.184 0.000 1.148 201 F CA -0.290 57.818 58.000 0.180 0.000 0.963 201 F CB 1.543 40.680 39.000 0.229 0.000 1.217 201 F HN 0.708 nan 8.300 nan 0.000 0.441 202 G N 3.497 112.167 108.800 -0.216 0.000 2.680 202 G HA2 0.655 4.615 3.960 0.000 0.000 0.290 202 G HA3 0.655 4.615 3.960 0.000 0.000 0.290 202 G C -2.323 172.348 174.900 -0.382 0.000 1.355 202 G CA -0.955 43.995 45.100 -0.250 0.000 0.903 202 G HN 0.737 nan 8.290 nan 0.000 0.474 203 V N 0.099 119.743 119.914 -0.451 0.000 3.007 203 V HA 0.508 4.628 4.120 0.000 0.000 0.311 203 V C -0.512 175.360 176.094 -0.370 0.000 1.120 203 V CA -1.028 60.948 62.300 -0.540 0.000 0.980 203 V CB 2.271 33.671 31.823 -0.704 0.000 1.033 203 V HN 0.883 nan 8.190 nan 0.000 0.429 204 N N 2.706 121.205 118.700 -0.335 0.000 2.484 204 N HA 0.158 4.898 4.740 0.000 0.000 0.245 204 N C -0.298 175.112 175.510 -0.167 0.000 1.184 204 N CA 0.151 53.090 53.050 -0.185 0.000 0.884 204 N CB 0.443 38.849 38.487 -0.135 0.000 1.182 204 N HN 0.601 nan 8.380 nan 0.000 0.493 205 T N -0.832 113.601 114.554 -0.203 0.000 2.821 205 T HA 0.253 4.603 4.350 0.000 0.000 0.306 205 T C -1.473 173.140 174.700 -0.144 0.000 1.313 205 T CA -0.801 61.212 62.100 -0.146 0.000 1.012 205 T CB 1.455 70.240 68.868 -0.138 0.000 1.298 205 T HN 0.063 nan 8.240 nan 0.000 0.502 206 R N 2.334 122.778 120.500 -0.094 0.000 2.291 206 R HA 0.535 4.876 4.340 0.000 0.000 0.333 206 R C 0.096 176.368 176.300 -0.047 0.000 1.082 206 R CA -0.120 55.938 56.100 -0.071 0.000 0.948 206 R CB -0.273 30.002 30.300 -0.043 0.000 1.009 206 R HN 0.748 nan 8.270 nan 0.000 0.460 207 A N 3.781 126.577 122.820 -0.040 0.000 2.386 207 A HA 0.088 4.408 4.320 0.000 0.000 0.248 207 A C 0.886 178.517 177.584 0.080 0.000 1.082 207 A CA -0.297 51.757 52.037 0.027 0.000 0.789 207 A CB 0.331 19.406 19.000 0.125 0.000 1.025 207 A HN 0.778 nan 8.150 nan 0.000 0.490 208 D N 0.878 121.314 120.400 0.060 0.000 2.144 208 D HA 0.057 4.697 4.640 0.000 0.000 0.199 208 D C 0.952 177.323 176.300 0.118 0.000 0.984 208 D CA 1.979 56.016 54.000 0.061 0.000 0.834 208 D CB 0.204 41.012 40.800 0.012 0.000 0.955 208 D HN 0.725 nan 8.370 nan 0.000 0.465 209 G N -0.567 108.335 108.800 0.171 0.000 2.606 209 G HA2 0.478 4.438 3.960 0.000 0.000 0.300 209 G HA3 0.478 4.438 3.960 0.000 0.000 0.300 209 G C -1.677 173.422 174.900 0.333 0.000 1.360 209 G CA -0.795 44.427 45.100 0.204 0.000 0.783 209 G HN 0.122 nan 8.290 nan 0.000 0.484 210 F N -1.823 118.224 119.950 0.161 0.000 2.685 210 F HA 0.864 5.391 4.527 0.000 0.000 0.315 210 F C -1.671 174.208 175.800 0.132 0.000 1.126 210 F CA -1.240 56.824 58.000 0.108 0.000 0.950 210 F CB 2.061 41.105 39.000 0.072 0.000 1.360 210 F HN 0.374 nan 8.300 nan 0.000 0.469 211 D N -0.004 120.528 120.400 0.220 0.000 2.947 211 D HA 0.337 4.977 4.640 0.000 0.000 0.224 211 D C -0.355 176.093 176.300 0.246 0.000 1.230 211 D CA -0.145 53.968 54.000 0.189 0.000 0.871 211 D CB 2.542 43.502 40.800 0.265 0.000 1.671 211 D HN 0.849 nan 8.370 nan 0.000 0.507 212 T N -1.978 112.746 114.554 0.284 0.000 3.043 212 T HA 0.169 4.519 4.350 0.000 0.000 0.272 212 T C 0.099 174.921 174.700 0.204 0.000 0.990 212 T CA -0.298 61.949 62.100 0.244 0.000 0.897 212 T CB 0.495 69.537 68.868 0.291 0.000 1.111 212 T HN 0.175 nan 8.240 nan 0.000 0.529 213 D N 0.932 121.450 120.400 0.196 0.000 2.303 213 D HA 0.401 5.041 4.640 0.000 0.000 0.236 213 D C 1.238 177.667 176.300 0.215 0.000 1.068 213 D CA -0.821 53.294 54.000 0.191 0.000 0.830 213 D CB 1.536 42.428 40.800 0.155 0.000 1.109 213 D HN -0.025 nan 8.370 nan 0.000 0.496 214 R N 2.713 123.363 120.500 0.249 0.000 2.073 214 R HA -0.138 4.202 4.340 0.000 0.000 0.234 214 R C 0.700 177.147 176.300 0.246 0.000 1.134 214 R CA 1.460 57.738 56.100 0.297 0.000 0.952 214 R CB 0.073 30.563 30.300 0.317 0.000 0.850 214 R HN 0.588 nan 8.270 nan 0.000 0.433 215 D N -0.566 119.941 120.400 0.178 0.000 2.144 215 D HA -0.121 4.519 4.640 0.000 0.000 0.199 215 D C 1.698 177.997 176.300 -0.002 0.000 0.984 215 D CA 1.599 55.626 54.000 0.044 0.000 0.834 215 D CB -0.195 40.567 40.800 -0.063 0.000 0.955 215 D HN 0.299 nan 8.370 nan 0.000 0.465 216 T N 0.488 115.067 114.554 0.040 0.000 2.701 216 T HA -0.140 4.210 4.350 0.000 0.000 0.263 216 T C 1.732 176.449 174.700 0.028 0.000 1.040 216 T CA 0.610 62.718 62.100 0.015 0.000 1.147 216 T CB -0.481 68.410 68.868 0.039 0.000 0.865 216 T HN 0.110 nan 8.240 nan 0.000 0.426 217 F N 1.536 121.466 119.950 -0.034 0.000 2.134 217 F HA -0.102 4.425 4.527 0.000 0.000 0.299 217 F C 2.147 177.851 175.800 -0.161 0.000 1.097 217 F CA 0.940 58.898 58.000 -0.069 0.000 1.264 217 F CB -0.311 38.720 39.000 0.052 0.000 1.001 217 F HN -0.088 nan 8.300 nan 0.000 0.479 218 V N -0.277 119.645 119.914 0.015 0.000 2.500 218 V HA 0.259 4.379 4.120 0.000 0.000 0.243 218 V C 1.028 176.996 176.094 -0.210 0.000 1.039 218 V CA 0.938 63.160 62.300 -0.130 0.000 1.053 218 V CB -1.029 30.795 31.823 0.001 0.000 0.695 218 V HN 0.612 nan 8.190 nan 0.000 0.463 219 G N -0.180 108.521 108.800 -0.165 0.000 2.788 219 G HA2 0.244 4.204 3.960 0.000 0.000 0.686 219 G HA3 0.244 4.204 3.960 0.000 0.000 0.686 219 G C -0.254 174.494 174.900 -0.253 0.000 1.147 219 G CA -0.633 44.346 45.100 -0.202 0.000 0.755 219 G HN 1.008 nan 8.290 nan 0.000 0.634 220 A N 1.819 124.412 122.820 -0.379 0.000 2.531 220 A HA 0.582 4.902 4.320 0.000 0.000 0.236 220 A C 1.067 178.234 177.584 -0.695 0.000 1.062 220 A CA 1.776 53.370 52.037 -0.740 0.000 0.760 220 A CB -0.414 17.861 19.000 -1.209 0.000 0.995 220 A HN 2.200 nan 8.150 nan 0.000 0.501 221 Y N -1.096 119.158 120.300 -0.076 0.000 4.936 221 Y HA -0.205 4.345 4.550 0.000 0.000 0.260 221 Y C 0.344 176.197 175.900 -0.079 0.000 0.928 221 Y CA 0.467 58.524 58.100 -0.072 0.000 1.869 221 Y CB -2.375 36.044 38.460 -0.068 0.000 1.344 221 Y HN 0.703 nan 8.280 nan 0.000 0.521 222 N N 0.867 119.543 118.700 -0.039 0.000 2.417 222 N HA 0.563 5.303 4.740 0.000 0.000 0.300 222 N C 0.196 175.661 175.510 -0.075 0.000 1.102 222 N CA 0.037 53.050 53.050 -0.061 0.000 0.886 222 N CB 1.649 40.069 38.487 -0.112 0.000 1.203 222 N HN 0.279 nan 8.380 nan 0.000 0.496 223 S N 0.409 116.063 115.700 -0.077 0.000 2.681 223 S HA 0.324 4.794 4.470 0.000 0.000 0.270 223 S C 1.612 176.155 174.600 -0.095 0.000 1.209 223 S CA -0.672 57.478 58.200 -0.083 0.000 0.988 223 S CB 0.428 63.576 63.200 -0.086 0.000 1.006 223 S HN 0.471 nan 8.310 nan 0.000 0.558 224 L N 0.615 121.789 121.223 -0.082 0.000 2.079 224 L HA -0.014 4.326 4.340 0.000 0.000 0.210 224 L C 2.777 179.616 176.870 -0.051 0.000 1.081 224 L CA 1.427 56.227 54.840 -0.067 0.000 0.752 224 L CB -1.327 40.719 42.059 -0.021 0.000 0.896 224 L HN 0.992 nan 8.230 nan 0.000 0.433 225 G N -0.369 108.360 108.800 -0.118 0.000 2.498 225 G HA2 -0.193 3.768 3.960 0.000 0.000 0.219 225 G HA3 -0.193 3.768 3.960 0.000 0.000 0.219 225 G C 1.129 175.969 174.900 -0.101 0.000 1.119 225 G CA 0.414 45.431 45.100 -0.140 0.000 0.766 225 G HN 0.493 nan 8.290 nan 0.000 0.552 226 E N -0.090 120.041 120.200 -0.116 0.000 2.624 226 E HA 0.423 4.773 4.350 0.000 0.000 0.210 226 E C 0.786 177.254 176.600 -0.220 0.000 0.997 226 E CA -0.478 55.839 56.400 -0.140 0.000 0.999 226 E CB 0.903 30.534 29.700 -0.115 0.000 1.040 226 E HN 0.296 nan 8.360 nan 0.000 0.469 227 A N 1.015 123.656 122.820 -0.298 0.000 2.566 227 A HA -0.007 4.313 4.320 0.000 0.000 0.245 227 A C 1.328 178.544 177.584 -0.613 0.000 1.056 227 A CA 0.211 51.935 52.037 -0.521 0.000 0.757 227 A CB 0.325 18.801 19.000 -0.873 0.000 0.979 227 A HN 0.180 nan 8.150 nan 0.000 0.508 228 S N 1.918 117.295 115.700 -0.538 0.000 2.356 228 S HA -0.138 4.332 4.470 0.000 0.000 0.223 228 S C 1.946 176.194 174.600 -0.586 0.000 1.032 228 S CA 1.368 59.297 58.200 -0.453 0.000 1.005 228 S CB -0.335 62.671 63.200 -0.324 0.000 0.867 228 S HN 0.592 nan 8.310 nan 0.000 0.449 229 V N 2.737 122.145 119.914 -0.844 0.000 2.295 229 V HA -0.109 4.011 4.120 0.000 0.000 0.246 229 V C -0.842 174.629 176.094 -1.038 0.000 1.049 229 V CA 1.830 63.637 62.300 -0.821 0.000 1.024 229 V CB -1.485 29.835 31.823 -0.838 0.000 0.648 229 V HN 0.334 nan 8.190 nan 0.000 0.447 230 P HA -0.110 nan 4.420 nan 0.000 0.218 230 P C 1.654 178.552 177.300 -0.669 0.000 1.149 230 P CA 1.284 63.486 63.100 -1.498 0.000 0.817 230 P CB -0.066 30.910 31.700 -1.207 0.000 0.785 231 R N -0.480 119.711 120.500 -0.515 0.000 2.092 231 R HA -0.007 4.333 4.340 0.000 0.000 0.231 231 R C 2.272 178.449 176.300 -0.204 0.000 1.119 231 R CA 1.420 57.353 56.100 -0.279 0.000 0.970 231 R CB -0.982 29.173 30.300 -0.241 0.000 0.864 231 R HN 0.128 nan 8.270 nan 0.000 0.440 232 A N -0.055 122.619 122.820 -0.242 0.000 1.972 232 A HA 0.003 4.323 4.320 0.000 0.000 0.219 232 A C 1.739 179.288 177.584 -0.059 0.000 1.169 232 A CA 1.595 53.547 52.037 -0.142 0.000 0.635 232 A CB -0.506 18.401 19.000 -0.155 0.000 0.810 232 A HN 0.507 nan 8.150 nan 0.000 0.446 233 G N -1.453 107.321 108.800 -0.042 0.000 2.175 233 G HA2 -0.215 3.745 3.960 0.000 0.000 0.244 233 G HA3 -0.215 3.745 3.960 0.000 0.000 0.244 233 G C 0.034 175.136 174.900 0.337 0.000 0.982 233 G CA 0.504 45.714 45.100 0.183 0.000 0.641 233 G HN 1.058 nan 8.290 nan 0.000 0.527 234 K N -0.298 120.261 120.400 0.266 0.000 2.532 234 K HA 0.704 5.024 4.320 0.000 0.000 0.265 234 K C -0.381 176.384 176.600 0.276 0.000 0.948 234 K CA -0.765 55.687 56.287 0.275 0.000 0.842 234 K CB 1.470 34.035 32.500 0.108 0.000 1.392 234 K HN 0.071 nan 8.250 nan 0.000 0.436 235 S N 0.383 116.259 115.700 0.295 0.000 2.579 235 S HA 0.174 4.644 4.470 0.000 0.000 0.275 235 S C 0.934 175.537 174.600 0.006 0.000 1.345 235 S CA -0.103 58.211 58.200 0.190 0.000 1.031 235 S CB 1.119 64.394 63.200 0.125 0.000 0.892 235 S HN 0.727 nan 8.310 nan 0.000 0.529 236 A N 1.148 123.940 122.820 -0.047 0.000 2.275 236 A HA 0.250 4.570 4.320 0.000 0.000 0.212 236 A C 0.204 177.651 177.584 -0.229 0.000 1.201 236 A CA -0.069 51.908 52.037 -0.100 0.000 0.843 236 A CB -0.284 18.678 19.000 -0.064 0.000 0.873 236 A HN 0.789 nan 8.150 nan 0.000 0.492 237 D N 0.534 120.628 120.400 -0.510 0.000 2.772 237 D HA -0.132 4.508 4.640 0.000 0.000 0.233 237 D C 0.272 176.192 176.300 -0.635 0.000 1.143 237 D CA 1.243 54.506 54.000 -1.229 0.000 0.700 237 D CB -1.942 38.412 40.800 -0.743 0.000 1.076 237 D HN 0.654 nan 8.370 nan 0.000 0.430 238 S N -1.698 113.836 115.700 -0.275 0.000 2.565 238 S HA 0.501 4.971 4.470 0.000 0.000 0.276 238 S C 0.235 174.990 174.600 0.259 0.000 1.326 238 S CA -0.761 57.461 58.200 0.037 0.000 1.045 238 S CB 2.405 65.648 63.200 0.072 0.000 0.918 238 S HN 0.065 nan 8.310 nan 0.000 0.505 239 V N 2.607 122.668 119.914 0.245 0.000 2.378 239 V HA 0.643 4.763 4.120 0.000 0.000 0.288 239 V C 0.606 176.815 176.094 0.192 0.000 1.016 239 V CA -0.750 61.714 62.300 0.272 0.000 0.840 239 V CB 0.790 32.762 31.823 0.249 0.000 0.994 239 V HN 1.195 nan 8.190 nan 0.000 0.431 240 A N 3.659 126.597 122.820 0.195 0.000 2.407 240 A HA 0.608 4.928 4.320 0.000 0.000 0.248 240 A C 0.442 178.119 177.584 0.155 0.000 1.082 240 A CA 0.039 52.182 52.037 0.178 0.000 0.785 240 A CB 0.673 19.789 19.000 0.192 0.000 1.020 240 A HN 0.907 nan 8.150 nan 0.000 0.489 241 S N 1.540 117.336 115.700 0.160 0.000 2.745 241 S HA 0.574 5.044 4.470 0.000 0.000 0.283 241 S C 0.340 175.020 174.600 0.134 0.000 1.170 241 S CA 0.699 58.978 58.200 0.132 0.000 1.119 241 S CB -0.508 62.764 63.200 0.120 0.000 1.035 241 S HN 2.697 nan 8.310 nan 0.000 0.483 242 G N 4.061 112.906 108.800 0.075 0.000 2.601 242 G HA2 -0.221 3.739 3.960 0.000 0.000 0.252 242 G HA3 -0.221 3.739 3.960 0.000 0.000 0.252 242 G C 0.146 175.049 174.900 0.004 0.000 1.294 242 G CA 0.388 45.464 45.100 -0.040 0.000 0.912 242 G HN 1.225 nan 8.290 nan 0.000 0.574 243 W N -3.112 118.055 121.300 -0.222 0.000 1.922 243 W HA -0.205 4.455 4.660 0.000 0.000 0.275 243 W C 0.569 176.753 176.519 -0.558 0.000 1.129 243 W CA 2.015 59.003 57.345 -0.594 0.000 1.077 243 W CB -1.403 27.785 29.460 -0.453 0.000 0.883 243 W HN 0.887 nan 8.180 nan 0.000 0.546 244 Y N 0.819 121.328 120.300 0.348 0.000 2.686 244 Y HA 0.477 5.027 4.550 0.000 0.000 0.331 244 Y C -2.061 173.928 175.900 0.148 0.000 0.996 244 Y CA -2.902 55.320 58.100 0.203 0.000 1.293 244 Y CB -0.001 38.567 38.460 0.181 0.000 1.092 244 Y HN -0.339 nan 8.280 nan 0.000 0.524 245 P HA 0.136 nan 4.420 nan 0.000 0.265 245 P C -0.127 177.290 177.300 0.195 0.000 1.193 245 P CA 0.265 63.493 63.100 0.213 0.000 0.765 245 P CB 0.788 32.567 31.700 0.132 0.000 0.823 246 I N -0.675 119.969 120.570 0.124 0.000 3.239 246 I HA 0.897 5.067 4.170 0.000 0.000 0.314 246 I C -0.362 175.651 176.117 -0.173 0.000 1.126 246 I CA -1.391 59.729 61.300 -0.300 0.000 0.973 246 I CB 2.316 40.041 38.000 -0.459 0.000 1.252 246 I HN 0.292 nan 8.210 nan 0.000 0.463 247 G N 0.713 109.163 108.800 -0.584 0.000 2.544 247 G HA2 0.580 4.540 3.960 0.000 0.000 0.313 247 G HA3 0.580 4.540 3.960 0.000 0.000 0.313 247 G C -1.355 173.496 174.900 -0.083 0.000 1.316 247 G CA -0.462 44.599 45.100 -0.065 0.000 0.944 247 G HN 0.721 nan 8.290 nan 0.000 0.489 248 S N 1.528 117.202 115.700 -0.044 0.000 2.543 248 S HA 0.641 5.111 4.470 0.000 0.000 0.271 248 S C -1.433 173.100 174.600 -0.111 0.000 1.148 248 S CA -0.817 57.383 58.200 0.001 0.000 0.914 248 S CB 1.167 64.283 63.200 -0.140 0.000 1.096 248 S HN 0.639 nan 8.310 nan 0.000 0.471 249 H N 1.398 120.650 119.070 0.302 0.000 2.768 249 H HA 0.569 5.125 4.556 0.000 0.000 0.371 249 H C -0.535 174.906 175.328 0.190 0.000 1.151 249 H CA -0.569 55.627 56.048 0.246 0.000 1.165 249 H CB 2.033 31.891 29.762 0.161 0.000 1.722 249 H HN 0.706 nan 8.280 nan 0.000 0.543 250 S N 1.095 116.905 115.700 0.184 0.000 2.475 250 S HA 0.626 5.096 4.470 0.000 0.000 0.298 250 S C -0.398 174.152 174.600 -0.083 0.000 1.119 250 S CA -0.734 57.373 58.200 -0.156 0.000 1.085 250 S CB 1.607 64.537 63.200 -0.450 0.000 1.028 250 S HN 0.271 nan 8.310 nan 0.000 0.489 251 V N 1.977 121.811 119.914 -0.133 0.000 2.482 251 V HA 0.709 4.829 4.120 0.000 0.000 0.295 251 V C 0.215 176.252 176.094 -0.094 0.000 1.026 251 V CA -0.786 61.471 62.300 -0.070 0.000 0.856 251 V CB 1.312 33.123 31.823 -0.019 0.000 1.001 251 V HN 1.206 nan 8.190 nan 0.000 0.424 252 A N 4.867 127.644 122.820 -0.072 0.000 2.366 252 A HA 0.809 5.129 4.320 0.000 0.000 0.272 252 A C -0.146 177.430 177.584 -0.014 0.000 1.135 252 A CA -0.292 51.719 52.037 -0.042 0.000 0.804 252 A CB 0.892 19.877 19.000 -0.025 0.000 1.064 252 A HN 1.519 nan 8.150 nan 0.000 0.499 253 V N 0.108 120.025 119.914 0.004 0.000 2.823 253 V HA 0.892 5.012 4.120 0.000 0.000 0.312 253 V C -0.302 175.809 176.094 0.028 0.000 1.072 253 V CA -0.423 61.886 62.300 0.016 0.000 0.937 253 V CB 1.716 33.554 31.823 0.024 0.000 1.013 253 V HN 0.732 nan 8.190 nan 0.000 0.430 254 T N 5.542 120.112 114.554 0.026 0.000 2.841 254 T HA 0.742 5.092 4.350 0.000 0.000 0.285 254 T C -0.685 174.034 174.700 0.032 0.000 0.991 254 T CA -0.260 61.859 62.100 0.032 0.000 0.966 254 T CB 1.032 69.916 68.868 0.025 0.000 0.962 254 T HN 0.700 nan 8.240 nan 0.000 0.438 255 L N 3.165 124.412 121.223 0.040 0.000 2.409 255 L HA 0.459 4.799 4.340 0.000 0.000 0.272 255 L C 0.307 177.200 176.870 0.039 0.000 0.980 255 L CA -0.999 53.865 54.840 0.040 0.000 0.826 255 L CB 2.184 44.273 42.059 0.051 0.000 1.268 255 L HN 0.487 nan 8.230 nan 0.000 0.407 256 Q N 2.827 122.646 119.800 0.032 0.000 2.443 256 Q HA 0.221 4.561 4.340 0.000 0.000 0.232 256 Q C -2.221 173.799 176.000 0.034 0.000 1.026 256 Q CA -1.757 54.064 55.803 0.030 0.000 0.924 256 Q CB 0.297 29.049 28.738 0.024 0.000 1.256 256 Q HN 0.289 nan 8.270 nan 0.000 0.519 257 P HA -0.124 nan 4.420 nan 0.000 0.261 257 P C 0.406 177.724 177.300 0.030 0.000 1.173 257 P CA 1.476 64.596 63.100 0.033 0.000 0.760 257 P CB 0.166 31.883 31.700 0.028 0.000 0.783 258 G N 1.750 110.570 108.800 0.034 0.000 2.234 258 G HA2 -0.292 3.668 3.960 0.000 0.000 0.260 258 G HA3 -0.292 3.668 3.960 0.000 0.000 0.260 258 G C 0.241 175.158 174.900 0.030 0.000 0.987 258 G CA 0.128 45.246 45.100 0.030 0.000 0.625 258 G HN 0.620 nan 8.290 nan 0.000 0.532 259 E N 0.961 121.180 120.200 0.032 0.000 2.343 259 E HA 0.592 4.942 4.350 0.000 0.000 0.269 259 E C 0.546 177.168 176.600 0.036 0.000 1.047 259 E CA 0.159 56.577 56.400 0.029 0.000 0.874 259 E CB 0.712 30.429 29.700 0.028 0.000 1.033 259 E HN 0.556 nan 8.360 nan 0.000 0.409 260 S N 2.982 118.700 115.700 0.031 0.000 2.632 260 S HA 0.741 5.211 4.470 0.000 0.000 0.289 260 S C -0.836 173.782 174.600 0.029 0.000 1.115 260 S CA -1.119 57.103 58.200 0.036 0.000 0.889 260 S CB 2.081 65.301 63.200 0.034 0.000 1.116 260 S HN 0.535 nan 8.310 nan 0.000 0.486 261 R N 0.515 121.034 120.500 0.032 0.000 2.621 261 R HA 0.622 4.962 4.340 0.000 0.000 0.284 261 R C -2.221 174.093 176.300 0.024 0.000 0.998 261 R CA -0.218 55.895 56.100 0.022 0.000 0.895 261 R CB 1.382 31.695 30.300 0.021 0.000 1.195 261 R HN 0.694 nan 8.270 nan 0.000 0.450 262 D N 3.407 123.814 120.400 0.011 0.000 2.163 262 D HA 0.443 5.083 4.640 0.000 0.000 0.248 262 D C -0.610 175.680 176.300 -0.016 0.000 1.035 262 D CA -0.077 53.929 54.000 0.010 0.000 0.872 262 D CB 1.438 42.242 40.800 0.006 0.000 1.183 262 D HN 0.398 nan 8.370 nan 0.000 0.445 263 L N 1.223 122.438 121.223 -0.013 0.000 2.386 263 L HA 0.507 4.847 4.340 0.000 0.000 0.271 263 L C -0.834 175.946 176.870 -0.150 0.000 0.993 263 L CA -1.026 53.735 54.840 -0.132 0.000 0.819 263 L CB 2.316 44.291 42.059 -0.140 0.000 1.294 263 L HN 0.001 nan 8.230 nan 0.000 0.414 264 V N 2.814 122.568 119.914 -0.267 0.000 2.357 264 V HA 0.412 4.532 4.120 0.000 0.000 0.284 264 V C -0.920 174.973 176.094 -0.334 0.000 1.018 264 V CA -0.586 61.623 62.300 -0.152 0.000 0.841 264 V CB 1.137 32.939 31.823 -0.036 0.000 0.991 264 V HN 0.407 nan 8.190 nan 0.000 0.437 265 Y N 3.203 123.450 120.300 -0.089 0.000 2.420 265 Y HA 0.742 5.292 4.550 0.000 0.000 0.334 265 Y C 0.078 175.912 175.900 -0.109 0.000 1.094 265 Y CA -0.942 57.062 58.100 -0.161 0.000 1.126 265 Y CB 2.029 40.405 38.460 -0.140 0.000 1.217 265 Y HN 0.346 nan 8.280 nan 0.000 0.462 266 V N 4.118 124.043 119.914 0.018 0.000 2.638 266 V HA 0.347 4.467 4.120 0.000 0.000 0.306 266 V C -1.206 175.028 176.094 0.233 0.000 1.052 266 V CA -0.820 61.503 62.300 0.038 0.000 0.885 266 V CB 2.083 33.882 31.823 -0.040 0.000 0.999 266 V HN 0.545 nan 8.190 nan 0.000 0.424 267 L N 4.424 125.825 121.223 0.297 0.000 2.280 267 L HA 0.939 5.279 4.340 0.000 0.000 0.287 267 L C 0.280 177.249 176.870 0.166 0.000 1.023 267 L CA 0.467 55.538 54.840 0.385 0.000 0.819 267 L CB 1.020 43.279 42.059 0.332 0.000 1.212 267 L HN 0.762 nan 8.230 nan 0.000 0.420 268 G N 3.287 112.190 108.800 0.172 0.000 2.519 268 G HA2 0.401 4.362 3.960 0.000 0.000 0.307 268 G HA3 0.401 4.362 3.960 0.000 0.000 0.307 268 G C -2.223 172.784 174.900 0.179 0.000 1.266 268 G CA -0.511 44.609 45.100 0.034 0.000 0.970 268 G HN 0.527 nan 8.290 nan 0.000 0.481 269 Y N 2.314 122.610 120.300 -0.006 0.000 2.331 269 Y HA 0.675 5.225 4.550 0.000 0.000 0.338 269 Y C -1.064 174.722 175.900 -0.189 0.000 0.976 269 Y CA -1.176 56.955 58.100 0.052 0.000 1.137 269 Y CB 0.986 39.540 38.460 0.157 0.000 1.172 269 Y HN 0.242 nan 8.280 nan 0.000 0.478 270 L N 5.788 126.491 121.223 -0.866 0.000 2.354 270 L HA 0.541 4.881 4.340 0.000 0.000 0.269 270 L C -0.572 175.663 176.870 -1.058 0.000 1.005 270 L CA -1.014 53.306 54.840 -0.867 0.000 0.819 270 L CB 1.992 43.514 42.059 -0.896 0.000 1.311 270 L HN 0.723 nan 8.230 nan 0.000 0.423 271 E N 1.590 121.396 120.200 -0.657 0.000 2.277 271 E HA 0.483 4.833 4.350 0.000 0.000 0.266 271 E C -0.930 175.509 176.600 -0.268 0.000 0.901 271 E CA -0.817 55.327 56.400 -0.426 0.000 0.782 271 E CB 2.599 32.147 29.700 -0.255 0.000 1.228 271 E HN 0.444 nan 8.360 nan 0.000 0.424 272 N N 1.527 120.126 118.700 -0.168 0.000 2.240 272 N HA 0.405 5.145 4.740 0.000 0.000 0.302 272 N C -2.685 172.759 175.510 -0.110 0.000 1.106 272 N CA -1.708 51.274 53.050 -0.114 0.000 0.778 272 N CB 1.760 40.202 38.487 -0.075 0.000 1.431 272 N HN 0.159 nan 8.380 nan 0.000 0.479 273 P HA 0.054 nan 4.420 nan 0.000 0.266 273 P C 0.382 177.620 177.300 -0.103 0.000 1.195 273 P CA -0.005 63.051 63.100 -0.072 0.000 0.768 273 P CB 0.781 32.453 31.700 -0.047 0.000 0.838 274 D N 1.779 122.121 120.400 -0.097 0.000 2.133 274 D HA -0.200 4.440 4.640 0.000 0.000 0.192 274 D C 1.434 177.683 176.300 -0.084 0.000 1.001 274 D CA 1.415 55.346 54.000 -0.114 0.000 0.844 274 D CB -0.131 40.629 40.800 -0.066 0.000 0.944 274 D HN 0.470 nan 8.370 nan 0.000 0.447 275 E N 0.104 120.281 120.200 -0.038 0.000 2.401 275 E HA -0.134 4.216 4.350 0.000 0.000 0.199 275 E C 0.855 177.448 176.600 -0.011 0.000 1.023 275 E CA 0.652 57.051 56.400 -0.001 0.000 0.859 275 E CB 0.140 29.846 29.700 0.010 0.000 0.780 275 E HN 0.227 nan 8.360 nan 0.000 0.523 276 E N -0.580 119.586 120.200 -0.057 0.000 2.734 276 E HA 0.135 4.485 4.350 0.000 0.000 0.211 276 E C 0.800 177.326 176.600 -0.123 0.000 0.991 276 E CA -0.043 56.325 56.400 -0.054 0.000 1.065 276 E CB 0.338 30.013 29.700 -0.041 0.000 1.047 276 E HN -0.018 nan 8.360 nan 0.000 0.470 277 K N -0.814 119.430 120.400 -0.259 0.000 2.211 277 K HA -0.027 4.293 4.320 0.000 0.000 0.203 277 K C -0.239 176.030 176.600 -0.551 0.000 1.050 277 K CA 0.840 56.815 56.287 -0.520 0.000 0.945 277 K CB 0.242 32.082 32.500 -1.100 0.000 0.732 277 K HN 0.087 nan 8.250 nan 0.000 0.451 278 W N -0.993 120.245 121.300 -0.103 0.000 2.606 278 W HA 0.379 5.039 4.660 0.000 0.000 0.332 278 W C 0.707 177.195 176.519 -0.052 0.000 1.052 278 W CA -0.876 56.415 57.345 -0.090 0.000 1.223 278 W CB 1.212 30.528 29.460 -0.241 0.000 1.383 278 W HN -0.169 nan 8.180 nan 0.000 0.524 279 A N 1.165 124.099 122.820 0.190 0.000 2.016 279 A HA -0.046 4.274 4.320 0.000 0.000 0.217 279 A C 0.454 178.107 177.584 0.116 0.000 1.162 279 A CA 1.224 53.315 52.037 0.090 0.000 0.662 279 A CB -0.587 18.428 19.000 0.025 0.000 0.812 279 A HN 0.599 nan 8.150 nan 0.000 0.450 280 D N -2.144 118.359 120.400 0.173 0.000 2.419 280 D HA 0.257 4.897 4.640 0.000 0.000 0.234 280 D C -0.749 175.646 176.300 0.157 0.000 1.014 280 D CA -0.631 53.441 54.000 0.120 0.000 0.919 280 D CB 0.682 41.527 40.800 0.076 0.000 1.366 280 D HN -0.117 nan 8.370 nan 0.000 0.490 281 D N 0.758 121.211 120.400 0.089 0.000 2.178 281 D HA -0.080 4.560 4.640 0.000 0.000 0.201 281 D C 1.689 177.978 176.300 -0.018 0.000 0.980 281 D CA 1.504 55.543 54.000 0.065 0.000 0.842 281 D CB -0.203 40.600 40.800 0.006 0.000 0.948 281 D HN 0.601 nan 8.370 nan 0.000 0.472 282 A N -0.178 122.613 122.820 -0.049 0.000 2.235 282 A HA -0.073 4.247 4.320 0.000 0.000 0.208 282 A C 0.032 177.474 177.584 -0.235 0.000 1.172 282 A CA 0.235 52.179 52.037 -0.155 0.000 0.786 282 A CB -0.841 18.091 19.000 -0.113 0.000 0.804 282 A HN 0.453 nan 8.150 nan 0.000 0.479 283 H N -1.491 117.313 119.070 -0.443 0.000 2.748 283 H HA -0.136 4.420 4.556 0.000 0.000 0.322 283 H C 0.323 174.903 175.328 -1.247 0.000 1.208 283 H CA 0.395 55.718 56.048 -1.210 0.000 1.151 283 H CB -0.703 28.186 29.762 -1.455 0.000 1.505 283 H HN 0.552 nan 8.280 nan 0.000 0.429 284 Q N -0.448 119.116 119.800 -0.394 0.000 2.322 284 Q HA 0.231 4.571 4.340 0.000 0.000 0.250 284 Q C 0.496 176.574 176.000 0.130 0.000 0.853 284 Q CA 0.452 56.146 55.803 -0.181 0.000 0.951 284 Q CB 1.625 30.308 28.738 -0.091 0.000 1.114 284 Q HN 0.264 nan 8.270 nan 0.000 0.523 285 V N 2.368 122.451 119.914 0.282 0.000 2.444 285 V HA 0.310 4.430 4.120 0.000 0.000 0.294 285 V C 0.159 176.408 176.094 0.259 0.000 1.022 285 V CA -1.255 61.169 62.300 0.207 0.000 0.850 285 V CB 1.789 33.654 31.823 0.069 0.000 0.992 285 V HN 0.085 nan 8.190 nan 0.000 0.426 286 V N 2.479 122.368 119.914 -0.041 0.000 2.763 286 V HA 0.302 4.422 4.120 0.000 0.000 0.306 286 V C 0.567 176.470 176.094 -0.318 0.000 1.059 286 V CA -0.296 61.794 62.300 -0.349 0.000 1.138 286 V CB 0.815 32.063 31.823 -0.958 0.000 0.940 286 V HN 0.895 nan 8.190 nan 0.000 0.489 287 N N 3.888 122.459 118.700 -0.215 0.000 2.427 287 N HA 0.111 4.851 4.740 0.000 0.000 0.269 287 N C 0.524 175.909 175.510 -0.208 0.000 1.235 287 N CA 0.316 53.271 53.050 -0.158 0.000 0.934 287 N CB 0.633 39.074 38.487 -0.077 0.000 1.121 287 N HN 0.826 nan 8.380 nan 0.000 0.480 288 K N 2.703 122.901 120.400 -0.337 0.000 2.404 288 K HA 0.146 4.466 4.320 0.000 0.000 0.194 288 K C 1.576 177.930 176.600 -0.411 0.000 1.023 288 K CA 0.273 56.283 56.287 -0.460 0.000 1.094 288 K CB 0.258 32.276 32.500 -0.804 0.000 0.841 288 K HN 0.583 nan 8.250 nan 0.000 0.523 289 A N 3.086 125.768 122.820 -0.231 0.000 1.884 289 A HA -0.162 4.158 4.320 0.000 0.000 0.219 289 A C -0.373 177.202 177.584 -0.015 0.000 1.197 289 A CA 1.604 53.587 52.037 -0.090 0.000 0.637 289 A CB -1.411 17.572 19.000 -0.028 0.000 0.827 289 A HN 0.186 nan 8.150 nan 0.000 0.450 290 P HA -0.009 nan 4.420 nan 0.000 0.222 290 P C 1.438 178.763 177.300 0.041 0.000 1.153 290 P CA 1.598 64.695 63.100 -0.005 0.000 0.798 290 P CB -0.079 31.577 31.700 -0.073 0.000 0.796 291 A N -0.012 122.873 122.820 0.109 0.000 1.897 291 A HA -0.171 4.149 4.320 0.000 0.000 0.215 291 A C 2.106 179.839 177.584 0.249 0.000 1.181 291 A CA 1.175 53.334 52.037 0.203 0.000 0.620 291 A CB -1.844 17.422 19.000 0.443 0.000 0.821 291 A HN 0.239 nan 8.150 nan 0.000 0.443 292 H N -0.636 118.540 119.070 0.177 0.000 2.353 292 H HA -0.065 4.491 4.556 0.000 0.000 0.300 292 H C 2.535 177.953 175.328 0.150 0.000 1.090 292 H CA 0.756 56.904 56.048 0.167 0.000 1.327 292 H CB 0.035 29.870 29.762 0.122 0.000 1.383 292 H HN 0.566 nan 8.280 nan 0.000 0.508 293 A N 1.165 124.116 122.820 0.218 0.000 1.902 293 A HA -0.162 4.158 4.320 0.000 0.000 0.217 293 A C 2.317 179.935 177.584 0.057 0.000 1.181 293 A CA 1.373 53.478 52.037 0.113 0.000 0.623 293 A CB -0.681 18.357 19.000 0.064 0.000 0.818 293 A HN 0.334 nan 8.150 nan 0.000 0.443 294 L N -0.126 121.143 121.223 0.078 0.000 2.012 294 L HA -0.149 4.192 4.340 0.000 0.000 0.210 294 L C 2.259 179.195 176.870 0.109 0.000 1.073 294 L CA 1.906 56.798 54.840 0.088 0.000 0.748 294 L CB -0.536 41.565 42.059 0.070 0.000 0.891 294 L HN 0.394 nan 8.230 nan 0.000 0.431 295 L N -0.551 120.731 121.223 0.098 0.000 2.131 295 L HA -0.112 4.228 4.340 0.000 0.000 0.210 295 L C 2.531 179.301 176.870 -0.167 0.000 1.092 295 L CA 1.118 55.992 54.840 0.058 0.000 0.759 295 L CB -1.329 40.807 42.059 0.128 0.000 0.903 295 L HN 0.495 nan 8.230 nan 0.000 0.435 296 G N -0.274 108.326 108.800 -0.333 0.000 2.432 296 G HA2 -0.221 3.739 3.960 0.000 0.000 0.219 296 G HA3 -0.221 3.739 3.960 0.000 0.000 0.219 296 G C 1.725 176.345 174.900 -0.467 0.000 1.135 296 G CA 0.269 44.884 45.100 -0.809 0.000 0.767 296 G HN 0.302 nan 8.290 nan 0.000 0.550 297 R N -0.977 119.324 120.500 -0.331 0.000 2.276 297 R HA 0.104 4.444 4.340 0.000 0.000 0.203 297 R C 0.246 175.951 176.300 -0.993 0.000 1.017 297 R CA 0.401 56.175 56.100 -0.543 0.000 1.010 297 R CB -0.016 30.008 30.300 -0.460 0.000 0.900 297 R HN 0.419 nan 8.270 nan 0.000 0.469 298 F N -1.349 118.513 119.950 -0.147 0.000 2.790 298 F HA 0.343 4.870 4.527 0.000 0.000 0.371 298 F C 0.990 176.710 175.800 -0.134 0.000 1.293 298 F CA -0.541 57.393 58.000 -0.111 0.000 1.205 298 F CB 0.789 39.733 39.000 -0.095 0.000 1.047 298 F HN -0.116 nan 8.300 nan 0.000 0.510 299 A N -0.454 122.283 122.820 -0.139 0.000 2.169 299 A HA 0.160 4.480 4.320 0.000 0.000 0.212 299 A C 1.191 178.734 177.584 -0.069 0.000 1.153 299 A CA 1.187 53.149 52.037 -0.125 0.000 0.756 299 A CB -0.396 18.462 19.000 -0.238 0.000 0.813 299 A HN 0.274 nan 8.150 nan 0.000 0.471 300 T N -5.040 109.479 114.554 -0.058 0.000 2.907 300 T HA 0.475 4.825 4.350 0.000 0.000 0.292 300 T C 0.710 175.413 174.700 0.005 0.000 1.043 300 T CA 0.206 62.286 62.100 -0.034 0.000 1.003 300 T CB 1.627 70.466 68.868 -0.047 0.000 1.084 300 T HN -0.083 nan 8.240 nan 0.000 0.483 301 S N 0.934 116.639 115.700 0.008 0.000 2.400 301 S HA -0.115 4.355 4.470 0.000 0.000 0.232 301 S C 1.765 176.380 174.600 0.026 0.000 1.025 301 S CA 1.580 59.797 58.200 0.028 0.000 0.993 301 S CB -0.449 62.758 63.200 0.012 0.000 0.808 301 S HN 0.849 nan 8.310 nan 0.000 0.478 302 E N 1.495 121.696 120.200 0.001 0.000 2.110 302 E HA -0.136 4.214 4.350 0.000 0.000 0.193 302 E C 2.196 178.792 176.600 -0.007 0.000 0.988 302 E CA 1.065 57.459 56.400 -0.009 0.000 0.804 302 E CB -0.283 29.403 29.700 -0.024 0.000 0.745 302 E HN 0.552 nan 8.360 nan 0.000 0.458 303 Q N -0.163 119.623 119.800 -0.024 0.000 2.079 303 Q HA -0.101 4.239 4.340 0.000 0.000 0.200 303 Q C 2.225 178.278 176.000 0.089 0.000 0.974 303 Q CA 1.287 57.051 55.803 -0.065 0.000 0.840 303 Q CB -0.037 28.570 28.738 -0.219 0.000 0.898 303 Q HN 0.149 nan 8.270 nan 0.000 0.430 304 V N 1.531 121.574 119.914 0.215 0.000 2.287 304 V HA -0.279 3.841 4.120 0.000 0.000 0.248 304 V C 1.505 177.717 176.094 0.197 0.000 1.053 304 V CA 2.069 64.605 62.300 0.395 0.000 1.027 304 V CB -0.452 31.562 31.823 0.317 0.000 0.646 304 V HN 0.357 nan 8.190 nan 0.000 0.447 305 D N 0.144 120.583 120.400 0.065 0.000 2.144 305 D HA -0.063 4.577 4.640 0.000 0.000 0.200 305 D C 2.228 178.514 176.300 -0.024 0.000 0.978 305 D CA 1.485 55.469 54.000 -0.027 0.000 0.833 305 D CB -0.371 40.410 40.800 -0.031 0.000 0.961 305 D HN 0.425 nan 8.370 nan 0.000 0.470 306 A N 1.080 123.908 122.820 0.014 0.000 1.908 306 A HA -0.096 4.224 4.320 0.000 0.000 0.218 306 A C 2.295 179.909 177.584 0.050 0.000 1.181 306 A CA 2.291 54.337 52.037 0.014 0.000 0.627 306 A CB -0.655 18.345 19.000 -0.001 0.000 0.818 306 A HN 0.245 nan 8.150 nan 0.000 0.445 307 A N -0.876 122.029 122.820 0.142 0.000 1.929 307 A HA 0.075 4.395 4.320 0.000 0.000 0.216 307 A C 2.105 179.773 177.584 0.140 0.000 1.176 307 A CA 1.528 53.723 52.037 0.264 0.000 0.628 307 A CB -0.535 18.842 19.000 0.629 0.000 0.816 307 A HN 0.595 nan 8.150 nan 0.000 0.444 308 L N -0.131 121.012 121.223 -0.134 0.000 2.046 308 L HA -0.133 4.207 4.340 0.000 0.000 0.208 308 L C 2.280 179.033 176.870 -0.195 0.000 1.077 308 L CA 2.619 57.179 54.840 -0.467 0.000 0.747 308 L CB -0.475 41.166 42.059 -0.696 0.000 0.896 308 L HN 0.445 nan 8.230 nan 0.000 0.432 309 E N -0.124 120.012 120.200 -0.107 0.000 2.110 309 E HA -0.157 4.193 4.350 0.000 0.000 0.193 309 E C 2.107 178.720 176.600 0.022 0.000 0.988 309 E CA 1.441 57.814 56.400 -0.044 0.000 0.804 309 E CB -0.371 29.311 29.700 -0.031 0.000 0.745 309 E HN 0.521 nan 8.360 nan 0.000 0.458 310 A N 0.422 123.267 122.820 0.042 0.000 1.933 310 A HA -0.135 4.185 4.320 0.000 0.000 0.218 310 A C 2.179 179.832 177.584 0.115 0.000 1.175 310 A CA 1.522 53.603 52.037 0.073 0.000 0.628 310 A CB -0.727 18.315 19.000 0.069 0.000 0.814 310 A HN 0.384 nan 8.150 nan 0.000 0.444 311 L N 0.841 122.139 121.223 0.125 0.000 2.056 311 L HA -0.150 4.190 4.340 0.000 0.000 0.207 311 L C 2.081 179.158 176.870 0.345 0.000 1.078 311 L CA 2.395 57.366 54.840 0.219 0.000 0.749 311 L CB -0.870 41.345 42.059 0.259 0.000 0.901 311 L HN 0.568 nan 8.230 nan 0.000 0.433 312 N N -0.912 117.922 118.700 0.225 0.000 2.104 312 N HA -0.204 4.536 4.740 0.000 0.000 0.190 312 N C 1.671 177.318 175.510 0.228 0.000 1.024 312 N CA 1.736 54.927 53.050 0.235 0.000 0.853 312 N CB 0.047 38.589 38.487 0.092 0.000 1.008 312 N HN 0.452 nan 8.380 nan 0.000 0.424 313 S N -0.305 115.494 115.700 0.165 0.000 2.383 313 S HA -0.125 4.345 4.470 0.000 0.000 0.227 313 S C 1.637 176.319 174.600 0.137 0.000 1.026 313 S CA 0.652 58.928 58.200 0.126 0.000 0.981 313 S CB -0.500 62.754 63.200 0.089 0.000 0.818 313 S HN 0.535 nan 8.310 nan 0.000 0.472 314 Y N 0.626 120.929 120.300 0.005 0.000 2.145 314 Y HA -0.196 4.354 4.550 0.000 0.000 0.286 314 Y C 1.881 177.667 175.900 -0.191 0.000 1.145 314 Y CA 1.442 59.474 58.100 -0.114 0.000 1.148 314 Y CB -0.425 37.946 38.460 -0.149 0.000 0.981 314 Y HN 0.250 nan 8.280 nan 0.000 0.507 315 W N 0.404 121.803 121.300 0.165 0.000 2.381 315 W HA -0.155 4.505 4.660 0.000 0.000 0.301 315 W C 2.583 179.083 176.519 -0.031 0.000 1.205 315 W CA 2.014 59.379 57.345 0.033 0.000 1.285 315 W CB -0.655 28.863 29.460 0.097 0.000 1.133 315 W HN -0.078 nan 8.180 nan 0.000 0.521 316 T N 0.024 114.697 114.554 0.197 0.000 2.720 316 T HA -0.300 4.050 4.350 0.000 0.000 0.268 316 T C 1.404 176.123 174.700 0.032 0.000 1.037 316 T CA 1.850 64.014 62.100 0.107 0.000 1.144 316 T CB -0.622 68.299 68.868 0.087 0.000 0.864 316 T HN 0.143 nan 8.240 nan 0.000 0.444 317 N N 0.867 119.549 118.700 -0.030 0.000 2.084 317 N HA -0.005 4.736 4.740 0.000 0.000 0.190 317 N C 1.765 177.186 175.510 -0.148 0.000 1.030 317 N CA 1.089 54.087 53.050 -0.087 0.000 0.849 317 N CB -0.468 37.952 38.487 -0.111 0.000 1.012 317 N HN 0.329 nan 8.380 nan 0.000 0.423 318 L N 0.009 121.064 121.223 -0.281 0.000 2.042 318 L HA -0.139 4.201 4.340 0.000 0.000 0.210 318 L C 1.844 178.666 176.870 -0.079 0.000 1.076 318 L CA 0.930 55.582 54.840 -0.314 0.000 0.749 318 L CB -0.470 41.239 42.059 -0.585 0.000 0.893 318 L HN 0.262 nan 8.230 nan 0.000 0.432 319 L N -0.333 120.920 121.223 0.049 0.000 2.599 319 L HA -0.027 4.313 4.340 0.000 0.000 0.230 319 L C 2.420 179.355 176.870 0.108 0.000 1.141 319 L CA 0.420 55.334 54.840 0.123 0.000 0.877 319 L CB -0.346 41.806 42.059 0.155 0.000 1.009 319 L HN 0.324 nan 8.230 nan 0.000 0.447 320 S N -2.553 113.184 115.700 0.060 0.000 2.527 320 S HA -0.071 4.399 4.470 0.000 0.000 0.222 320 S C 1.752 176.394 174.600 0.070 0.000 0.985 320 S CA 0.720 58.953 58.200 0.054 0.000 0.921 320 S CB -0.156 63.056 63.200 0.020 0.000 0.772 320 S HN 0.279 nan 8.310 nan 0.000 0.529 321 T N 0.255 114.869 114.554 0.101 0.000 2.812 321 T HA 0.099 4.449 4.350 0.000 0.000 0.264 321 T C -0.120 174.697 174.700 0.195 0.000 1.042 321 T CA 0.872 63.053 62.100 0.136 0.000 1.140 321 T CB -0.268 68.696 68.868 0.159 0.000 0.870 321 T HN 0.628 nan 8.240 nan 0.000 0.445 322 Y N 1.834 122.216 120.300 0.136 0.000 2.346 322 Y HA 0.482 5.032 4.550 0.000 0.000 0.332 322 Y C -0.657 175.324 175.900 0.135 0.000 0.985 322 Y CA -0.988 57.183 58.100 0.119 0.000 1.112 322 Y CB 1.251 39.778 38.460 0.112 0.000 1.170 322 Y HN 0.105 nan 8.280 nan 0.000 0.447 323 S N 4.416 120.197 115.700 0.135 0.000 2.588 323 S HA 0.811 5.281 4.470 0.000 0.000 0.275 323 S C -1.973 172.692 174.600 0.109 0.000 1.130 323 S CA -0.879 57.443 58.200 0.203 0.000 0.855 323 S CB 1.829 65.106 63.200 0.128 0.000 1.116 323 S HN 0.651 nan 8.310 nan 0.000 0.472 324 V N 0.789 120.803 119.914 0.166 0.000 2.789 324 V HA 0.839 4.959 4.120 0.000 0.000 0.311 324 V C -0.959 175.204 176.094 0.115 0.000 1.073 324 V CA -0.275 62.106 62.300 0.136 0.000 0.921 324 V CB 2.179 34.092 31.823 0.151 0.000 1.009 324 V HN 1.154 nan 8.190 nan 0.000 0.426 325 S N 4.249 120.019 115.700 0.117 0.000 2.640 325 S HA 0.787 5.257 4.470 0.000 0.000 0.320 325 S C -0.369 174.310 174.600 0.132 0.000 1.097 325 S CA 0.163 58.423 58.200 0.101 0.000 1.092 325 S CB 0.901 64.146 63.200 0.076 0.000 0.988 325 S HN 1.419 nan 8.310 nan 0.000 0.470 326 S N 2.473 118.241 115.700 0.112 0.000 2.851 326 S HA 0.547 5.017 4.470 0.000 0.000 0.317 326 S C 0.683 175.337 174.600 0.091 0.000 1.144 326 S CA -0.005 58.271 58.200 0.128 0.000 0.862 326 S CB 0.758 64.004 63.200 0.076 0.000 1.259 326 S HN 0.732 nan 8.310 nan 0.000 0.564 327 T N -1.832 112.774 114.554 0.087 0.000 3.188 327 T HA 0.250 4.600 4.350 0.000 0.000 0.250 327 T C -0.274 174.474 174.700 0.081 0.000 1.077 327 T CA 0.050 62.194 62.100 0.073 0.000 0.967 327 T CB -0.551 68.357 68.868 0.067 0.000 1.006 327 T HN 0.562 nan 8.240 nan 0.000 0.552 328 D N 2.093 122.548 120.400 0.093 0.000 2.461 328 D HA 0.120 4.760 4.640 0.000 0.000 0.240 328 D C 1.269 177.619 176.300 0.083 0.000 1.094 328 D CA -0.518 53.555 54.000 0.121 0.000 0.868 328 D CB 1.365 42.294 40.800 0.214 0.000 1.062 328 D HN 0.274 nan 8.370 nan 0.000 0.530 329 E N 3.794 124.017 120.200 0.038 0.000 2.204 329 E HA -0.182 4.168 4.350 0.000 0.000 0.194 329 E C 0.695 177.255 176.600 -0.066 0.000 0.989 329 E CA 0.854 57.255 56.400 0.002 0.000 0.824 329 E CB 0.090 29.789 29.700 -0.001 0.000 0.756 329 E HN 0.442 nan 8.360 nan 0.000 0.477 330 K N 0.324 120.640 120.400 -0.140 0.000 2.031 330 K HA -0.052 4.268 4.320 0.000 0.000 0.205 330 K C 2.329 178.821 176.600 -0.182 0.000 1.049 330 K CA 1.016 57.081 56.287 -0.370 0.000 0.939 330 K CB -0.313 31.677 32.500 -0.850 0.000 0.717 330 K HN 0.052 nan 8.250 nan 0.000 0.438 331 L N 2.220 123.509 121.223 0.110 0.000 1.997 331 L HA -0.269 4.071 4.340 0.000 0.000 0.216 331 L C 1.357 178.343 176.870 0.194 0.000 1.074 331 L CA 2.089 57.131 54.840 0.336 0.000 0.763 331 L CB -0.547 41.739 42.059 0.379 0.000 0.890 331 L HN 0.131 nan 8.230 nan 0.000 0.434 332 D N -0.601 119.866 120.400 0.112 0.000 2.117 332 D HA -0.182 4.458 4.640 0.000 0.000 0.198 332 D C 2.272 178.636 176.300 0.106 0.000 0.982 332 D CA 1.732 55.795 54.000 0.104 0.000 0.828 332 D CB -0.238 40.610 40.800 0.080 0.000 0.967 332 D HN 0.594 nan 8.370 nan 0.000 0.464 333 R N 0.047 120.576 120.500 0.049 0.000 2.148 333 R HA -0.004 4.336 4.340 0.000 0.000 0.227 333 R C 1.773 178.186 176.300 0.188 0.000 1.103 333 R CA 0.888 57.033 56.100 0.075 0.000 0.983 333 R CB -0.257 29.994 30.300 -0.083 0.000 0.874 333 R HN 0.079 nan 8.270 nan 0.000 0.451 334 M N 0.972 120.670 119.600 0.164 0.000 2.123 334 M HA -0.028 4.452 4.480 0.000 0.000 0.263 334 M C 2.312 178.818 176.300 0.342 0.000 1.069 334 M CA 1.106 56.577 55.300 0.285 0.000 1.133 334 M CB -0.569 32.226 32.600 0.325 0.000 1.356 334 M HN 0.055 nan 8.290 nan 0.000 0.415 335 V N 1.291 121.393 119.914 0.313 0.000 2.358 335 V HA -0.216 3.904 4.120 0.000 0.000 0.246 335 V C 2.012 178.312 176.094 0.343 0.000 1.047 335 V CA 1.464 63.979 62.300 0.358 0.000 1.035 335 V CB -0.795 31.172 31.823 0.240 0.000 0.658 335 V HN 0.432 nan 8.190 nan 0.000 0.452 336 N N -0.653 118.184 118.700 0.229 0.000 2.376 336 N HA 0.139 4.879 4.740 0.000 0.000 0.177 336 N C 1.459 177.011 175.510 0.070 0.000 1.024 336 N CA 1.147 54.299 53.050 0.170 0.000 0.893 336 N CB 0.447 39.010 38.487 0.127 0.000 0.980 336 N HN 0.461 nan 8.380 nan 0.000 0.439 337 I N -2.315 118.249 120.570 -0.011 0.000 3.738 337 I HA 0.078 4.248 4.170 0.000 0.000 0.250 337 I C 1.249 177.165 176.117 -0.335 0.000 1.117 337 I CA -0.229 60.884 61.300 -0.311 0.000 1.624 337 I CB -0.124 37.503 38.000 -0.622 0.000 1.637 337 I HN -0.076 nan 8.210 nan 0.000 0.431 338 W N 1.662 123.032 121.300 0.117 0.000 2.381 338 W HA -0.103 4.557 4.660 0.000 0.000 0.301 338 W C 2.438 179.073 176.519 0.193 0.000 1.205 338 W CA 0.969 58.411 57.345 0.163 0.000 1.285 338 W CB -0.541 29.008 29.460 0.148 0.000 1.133 338 W HN 0.160 nan 8.180 nan 0.000 0.521 339 N N 0.387 119.313 118.700 0.378 0.000 2.188 339 N HA -0.161 4.580 4.740 0.000 0.000 0.184 339 N C 1.597 177.213 175.510 0.176 0.000 1.018 339 N CA 1.502 54.784 53.050 0.387 0.000 0.858 339 N CB -0.322 38.508 38.487 0.572 0.000 0.989 339 N HN 0.308 nan 8.380 nan 0.000 0.426 340 Q N -1.195 118.624 119.800 0.032 0.000 2.119 340 Q HA -0.157 4.183 4.340 0.000 0.000 0.201 340 Q C 1.726 177.816 176.000 0.151 0.000 0.972 340 Q CA 1.042 56.792 55.803 -0.088 0.000 0.847 340 Q CB -0.259 28.428 28.738 -0.085 0.000 0.903 340 Q HN 0.551 nan 8.270 nan 0.000 0.433 341 Y N 1.648 121.940 120.300 -0.013 0.000 2.128 341 Y HA -0.331 4.219 4.550 0.000 0.000 0.284 341 Y C 2.634 178.657 175.900 0.205 0.000 1.154 341 Y CA 1.743 59.807 58.100 -0.059 0.000 1.149 341 Y CB 0.126 38.379 38.460 -0.344 0.000 0.976 341 Y HN 0.121 nan 8.280 nan 0.000 0.505 342 Q N -0.641 119.278 119.800 0.199 0.000 2.124 342 Q HA -0.241 4.099 4.340 0.000 0.000 0.202 342 Q C 2.272 178.372 176.000 0.168 0.000 0.977 342 Q CA 1.909 57.830 55.803 0.197 0.000 0.850 342 Q CB -0.343 28.505 28.738 0.183 0.000 0.901 342 Q HN 0.616 nan 8.270 nan 0.000 0.429 343 C N -0.066 119.334 119.300 0.167 0.000 2.435 343 C HA -0.119 4.341 4.460 0.000 0.000 0.279 343 C C 2.611 177.759 174.990 0.262 0.000 1.321 343 C CA 0.792 59.919 59.018 0.182 0.000 1.752 343 C CB -0.840 26.978 27.740 0.131 0.000 1.959 343 C HN 0.671 nan 8.230 nan 0.000 0.500 344 M N 0.808 120.595 119.600 0.313 0.000 2.086 344 M HA -0.082 4.398 4.480 0.000 0.000 0.261 344 M C 1.977 178.375 176.300 0.163 0.000 1.067 344 M CA 2.007 57.538 55.300 0.386 0.000 1.116 344 M CB -0.634 32.321 32.600 0.591 0.000 1.348 344 M HN 0.142 nan 8.290 nan 0.000 0.407 345 V N 0.406 120.327 119.914 0.013 0.000 2.295 345 V HA -0.272 3.848 4.120 0.000 0.000 0.246 345 V C 2.579 178.524 176.094 -0.247 0.000 1.049 345 V CA 2.303 64.467 62.300 -0.228 0.000 1.024 345 V CB -1.653 29.921 31.823 -0.415 0.000 0.648 345 V HN 0.783 nan 8.190 nan 0.000 0.447 346 T N -1.469 113.030 114.554 -0.092 0.000 2.746 346 T HA -0.275 4.075 4.350 0.000 0.000 0.267 346 T C 1.835 176.437 174.700 -0.164 0.000 1.039 346 T CA 1.786 63.821 62.100 -0.108 0.000 1.142 346 T CB -0.743 68.120 68.868 -0.009 0.000 0.866 346 T HN 0.366 nan 8.240 nan 0.000 0.444 347 F N 3.445 123.221 119.950 -0.291 0.000 2.063 347 F HA -0.204 4.323 4.527 0.000 0.000 0.298 347 F C 2.149 177.690 175.800 -0.433 0.000 1.109 347 F CA 1.939 59.647 58.000 -0.487 0.000 1.212 347 F CB -0.602 37.765 39.000 -1.055 0.000 0.973 347 F HN 0.092 nan 8.300 nan 0.000 0.480 348 N N -0.260 118.247 118.700 -0.323 0.000 2.188 348 N HA -0.115 4.626 4.740 0.000 0.000 0.184 348 N C 1.688 176.845 175.510 -0.588 0.000 1.018 348 N CA 1.603 54.372 53.050 -0.468 0.000 0.858 348 N CB -0.224 38.031 38.487 -0.387 0.000 0.989 348 N HN 0.341 nan 8.380 nan 0.000 0.426 349 M N -0.251 119.035 119.600 -0.523 0.000 2.465 349 M HA 0.165 4.645 4.480 0.000 0.000 0.249 349 M C 1.146 177.247 176.300 -0.331 0.000 1.130 349 M CA -0.087 54.954 55.300 -0.432 0.000 1.067 349 M CB -0.518 31.831 32.600 -0.418 0.000 1.394 349 M HN -0.048 nan 8.290 nan 0.000 0.483 350 S N 1.325 116.821 115.700 -0.340 0.000 4.112 350 S HA -0.240 4.230 4.470 0.000 0.000 0.602 350 S C 0.921 175.408 174.600 -0.189 0.000 1.939 350 S CA 1.944 59.974 58.200 -0.284 0.000 4.230 350 S CB -0.346 62.646 63.200 -0.347 0.000 0.245 350 S HN 0.564 nan 8.310 nan 0.000 0.530 351 R N 0.726 121.128 120.500 -0.165 0.000 2.652 351 R HA 0.390 4.730 4.340 0.000 0.000 0.372 351 R C 1.401 177.660 176.300 -0.069 0.000 1.104 351 R CA 0.655 56.703 56.100 -0.087 0.000 1.072 351 R CB -0.048 30.206 30.300 -0.076 0.000 1.367 351 R HN 0.417 nan 8.270 nan 0.000 0.577 352 S N 0.679 116.314 115.700 -0.109 0.000 2.348 352 S HA 0.183 4.653 4.470 0.000 0.000 0.219 352 S C 0.664 175.241 174.600 -0.038 0.000 1.033 352 S CA 0.869 59.003 58.200 -0.110 0.000 0.974 352 S CB 0.282 63.370 63.200 -0.186 0.000 0.868 352 S HN 0.387 nan 8.310 nan 0.000 0.459 353 A N 0.863 123.696 122.820 0.022 0.000 2.446 353 A HA 0.681 5.001 4.320 0.000 0.000 0.282 353 A C -0.130 177.626 177.584 0.286 0.000 1.102 353 A CA -0.309 51.817 52.037 0.148 0.000 0.737 353 A CB 1.321 20.338 19.000 0.028 0.000 1.212 353 A HN 0.554 nan 8.150 nan 0.000 0.434 354 S N 0.845 116.776 115.700 0.384 0.000 3.144 354 S HA 0.738 5.208 4.470 0.000 0.000 0.325 354 S C -0.215 174.762 174.600 0.628 0.000 1.161 354 S CA -0.354 58.108 58.200 0.436 0.000 0.920 354 S CB 0.237 63.730 63.200 0.488 0.000 1.340 354 S HN 0.431 nan 8.310 nan 0.000 0.681 355 F N 0.404 120.510 119.950 0.260 0.000 2.811 355 F HA 0.472 4.999 4.527 -0.000 0.000 0.301 355 F C 0.689 176.508 175.800 0.031 0.000 1.151 355 F CA -0.940 57.134 58.000 0.124 0.000 1.412 355 F CB -0.847 38.145 39.000 -0.013 0.000 1.113 355 F HN 0.424 nan 8.300 nan 0.000 0.579 356 F N -1.160 119.124 119.950 0.557 0.000 2.531 356 F HA 0.169 4.696 4.527 -0.000 0.000 0.273 356 F C 1.055 176.981 175.800 0.211 0.000 0.960 356 F CA -0.235 57.978 58.000 0.355 0.000 1.207 356 F CB -0.137 39.001 39.000 0.231 0.000 1.012 356 F HN -0.426 nan 8.300 nan 0.000 0.738 357 E N 1.221 121.656 120.200 0.391 0.000 2.313 357 E HA 0.136 4.486 4.350 0.000 0.000 0.276 357 E C 0.666 177.314 176.600 0.080 0.000 1.031 357 E CA 0.416 56.922 56.400 0.177 0.000 0.857 357 E CB 1.101 30.892 29.700 0.152 0.000 1.040 357 E HN 0.210 nan 8.360 nan 0.000 0.408 358 T N -1.449 113.021 114.554 -0.140 0.000 3.122 358 T HA 0.254 4.604 4.350 0.000 0.000 0.250 358 T C 1.167 175.786 174.700 -0.136 0.000 1.067 358 T CA 0.038 61.885 62.100 -0.422 0.000 0.966 358 T CB 0.043 68.531 68.868 -0.633 0.000 1.002 358 T HN 0.661 nan 8.240 nan 0.000 0.542 359 G N 1.115 109.893 108.800 -0.038 0.000 2.249 359 G HA2 -0.240 3.720 3.960 0.000 0.000 0.273 359 G HA3 -0.240 3.720 3.960 0.000 0.000 0.273 359 G C 0.341 175.170 174.900 -0.118 0.000 1.036 359 G CA 0.746 45.799 45.100 -0.078 0.000 0.824 359 G HN 0.609 nan 8.290 nan 0.000 0.504 360 I N -1.385 119.119 120.570 -0.110 0.000 3.809 360 I HA 0.271 4.441 4.170 0.000 0.000 0.245 360 I C 2.581 178.653 176.117 -0.074 0.000 1.119 360 I CA 0.606 61.850 61.300 -0.094 0.000 1.597 360 I CB -0.434 37.507 38.000 -0.098 0.000 1.605 360 I HN 0.089 nan 8.210 nan 0.000 0.441 361 G N 1.543 110.306 108.800 -0.063 0.000 2.511 361 G HA2 0.025 3.985 3.960 0.000 0.000 0.217 361 G HA3 0.025 3.985 3.960 0.000 0.000 0.217 361 G C 0.795 175.669 174.900 -0.043 0.000 1.133 361 G CA 0.029 45.105 45.100 -0.039 0.000 0.792 361 G HN 0.145 nan 8.290 nan 0.000 0.539 362 R N -0.012 120.448 120.500 -0.066 0.000 2.346 362 R HA 0.530 4.870 4.340 0.000 0.000 0.311 362 R C 0.509 176.729 176.300 -0.133 0.000 0.983 362 R CA -0.039 56.009 56.100 -0.087 0.000 0.880 362 R CB 1.819 32.071 30.300 -0.081 0.000 1.100 362 R HN 0.161 nan 8.270 nan 0.000 0.453 363 G N 2.177 110.878 108.800 -0.165 0.000 3.410 363 G HA2 0.258 4.218 3.960 0.000 0.000 0.189 363 G HA3 0.258 4.218 3.960 0.000 0.000 0.189 363 G C -0.445 174.250 174.900 -0.343 0.000 1.404 363 G CA -0.448 44.517 45.100 -0.224 0.000 0.898 363 G HN 0.272 nan 8.290 nan 0.000 0.650 364 M N 2.146 121.419 119.600 -0.545 0.000 2.055 364 M HA 0.354 4.834 4.480 0.000 0.000 0.347 364 M C 0.583 176.502 176.300 -0.635 0.000 1.123 364 M CA -1.062 53.791 55.300 -0.744 0.000 1.035 364 M CB 0.196 31.980 32.600 -1.361 0.000 1.484 364 M HN 0.405 nan 8.290 nan 0.000 0.428 365 G N 1.701 110.239 108.800 -0.437 0.000 2.398 365 G HA2 0.194 4.154 3.960 0.000 0.000 0.246 365 G HA3 0.194 4.154 3.960 0.000 0.000 0.246 365 G C 0.458 175.192 174.900 -0.277 0.000 1.289 365 G CA -0.360 44.520 45.100 -0.366 0.000 0.869 365 G HN 0.756 nan 8.290 nan 0.000 0.543 366 F N 2.166 121.939 119.950 -0.293 0.000 2.113 366 F HA -0.054 4.473 4.527 0.000 0.000 0.297 366 F C 2.726 178.467 175.800 -0.098 0.000 1.103 366 F CA 1.884 59.818 58.000 -0.110 0.000 1.248 366 F CB 0.147 39.154 39.000 0.011 0.000 0.999 366 F HN 0.517 nan 8.300 nan 0.000 0.475 367 R N 0.498 121.059 120.500 0.101 0.000 2.066 367 R HA -0.145 4.195 4.340 0.000 0.000 0.232 367 R C 1.877 177.996 176.300 -0.300 0.000 1.131 367 R CA 2.048 58.094 56.100 -0.088 0.000 0.955 367 R CB -0.759 29.490 30.300 -0.084 0.000 0.851 367 R HN 0.313 nan 8.270 nan 0.000 0.432 368 D N 0.287 120.529 120.400 -0.264 0.000 2.092 368 D HA -0.119 4.521 4.640 0.000 0.000 0.193 368 D C 1.929 178.098 176.300 -0.218 0.000 0.994 368 D CA 1.664 55.528 54.000 -0.226 0.000 0.828 368 D CB -0.164 40.499 40.800 -0.229 0.000 0.963 368 D HN 0.230 nan 8.370 nan 0.000 0.450 369 S N 0.858 116.400 115.700 -0.264 0.000 2.399 369 S HA -0.102 4.368 4.470 0.000 0.000 0.231 369 S C 1.708 176.198 174.600 -0.183 0.000 1.022 369 S CA 0.545 58.587 58.200 -0.263 0.000 0.983 369 S CB -0.122 62.870 63.200 -0.346 0.000 0.803 369 S HN 0.240 nan 8.310 nan 0.000 0.480 370 N N 1.528 120.110 118.700 -0.197 0.000 2.084 370 N HA -0.090 4.650 4.740 0.000 0.000 0.190 370 N C 1.866 177.345 175.510 -0.053 0.000 1.030 370 N CA 1.063 54.056 53.050 -0.095 0.000 0.849 370 N CB -0.327 38.157 38.487 -0.006 0.000 1.012 370 N HN 0.546 nan 8.380 nan 0.000 0.423 371 Q N 0.485 120.191 119.800 -0.156 0.000 2.084 371 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 371 Q C 1.047 177.010 176.000 -0.062 0.000 0.978 371 Q CA 1.077 56.815 55.803 -0.108 0.000 0.844 371 Q CB -0.071 28.634 28.738 -0.054 0.000 0.898 371 Q HN 0.349 nan 8.270 nan 0.000 0.426 372 D N 0.788 121.167 120.400 -0.035 0.000 2.178 372 D HA -0.104 4.536 4.640 0.000 0.000 0.202 372 D C 1.942 178.317 176.300 0.125 0.000 0.974 372 D CA 0.702 54.722 54.000 0.033 0.000 0.841 372 D CB -0.177 40.619 40.800 -0.007 0.000 0.953 372 D HN 0.203 nan 8.370 nan 0.000 0.478 373 L N 0.428 121.725 121.223 0.123 0.000 2.129 373 L HA -0.194 4.146 4.340 0.000 0.000 0.212 373 L C 2.392 179.360 176.870 0.163 0.000 1.087 373 L CA 0.754 55.716 54.840 0.203 0.000 0.757 373 L CB -0.426 41.721 42.059 0.145 0.000 0.896 373 L HN 0.079 nan 8.230 nan 0.000 0.434 374 L N -0.860 120.395 121.223 0.053 0.000 2.191 374 L HA -0.112 4.228 4.340 0.000 0.000 0.212 374 L C 2.206 179.128 176.870 0.086 0.000 1.103 374 L CA 1.198 56.033 54.840 -0.007 0.000 0.769 374 L CB -0.838 41.064 42.059 -0.262 0.000 0.908 374 L HN 0.319 nan 8.230 nan 0.000 0.438 375 G N -2.065 106.822 108.800 0.145 0.000 3.159 375 G HA2 -0.036 3.924 3.960 0.000 0.000 0.232 375 G HA3 -0.036 3.924 3.960 0.000 0.000 0.232 375 G C 0.976 176.032 174.900 0.260 0.000 1.116 375 G CA -0.195 45.069 45.100 0.272 0.000 0.767 375 G HN 0.256 nan 8.290 nan 0.000 0.547 376 F N 1.081 121.049 119.950 0.029 0.000 2.680 376 F HA 0.126 4.653 4.527 0.000 0.000 0.290 376 F C 2.293 177.955 175.800 -0.230 0.000 1.114 376 F CA 0.583 58.481 58.000 -0.169 0.000 1.333 376 F CB 0.330 39.226 39.000 -0.173 0.000 1.091 376 F HN -0.013 nan 8.300 nan 0.000 0.606 377 V N -0.158 119.755 119.914 -0.001 0.000 2.469 377 V HA -0.305 3.815 4.120 0.000 0.000 0.251 377 V C 2.604 178.592 176.094 -0.177 0.000 1.064 377 V CA 2.417 64.706 62.300 -0.019 0.000 1.066 377 V CB -1.629 30.277 31.823 0.139 0.000 0.667 377 V HN 0.617 nan 8.190 nan 0.000 0.461 378 H N -0.081 118.886 119.070 -0.173 0.000 2.495 378 H HA 0.086 4.642 4.556 0.000 0.000 0.287 378 H C 1.975 177.135 175.328 -0.280 0.000 1.033 378 H CA 1.469 57.422 56.048 -0.159 0.000 1.307 378 H CB -0.329 29.423 29.762 -0.017 0.000 1.401 378 H HN 0.462 nan 8.280 nan 0.000 0.555 379 L N 0.439 120.936 121.223 -1.211 0.000 2.022 379 L HA 0.115 4.455 4.340 0.000 0.000 0.204 379 L C 0.865 177.243 176.870 -0.820 0.000 1.076 379 L CA 1.034 55.235 54.840 -1.065 0.000 0.749 379 L CB 0.113 41.412 42.059 -1.267 0.000 0.903 379 L HN 0.109 nan 8.230 nan 0.000 0.439 380 I N 0.064 120.016 120.570 -1.031 0.000 2.641 380 I HA 0.149 4.319 4.170 0.000 0.000 0.275 380 I C -1.767 174.153 176.117 -0.328 0.000 1.129 380 I CA -1.244 59.730 61.300 -0.544 0.000 1.094 380 I CB 1.831 39.610 38.000 -0.368 0.000 1.232 380 I HN -0.104 nan 8.210 nan 0.000 0.503 381 P HA -0.144 nan 4.420 nan 0.000 0.218 381 P C 1.005 178.396 177.300 0.152 0.000 1.148 381 P CA 1.428 64.544 63.100 0.027 0.000 0.822 381 P CB 0.471 32.165 31.700 -0.010 0.000 0.784 382 E N -0.071 120.167 120.200 0.064 0.000 2.110 382 E HA -0.122 4.228 4.350 0.000 0.000 0.193 382 E C 2.265 178.914 176.600 0.082 0.000 0.988 382 E CA 1.082 57.529 56.400 0.078 0.000 0.804 382 E CB -0.526 29.201 29.700 0.046 0.000 0.745 382 E HN 0.258 nan 8.360 nan 0.000 0.458 383 R N 0.053 120.611 120.500 0.096 0.000 2.090 383 R HA 0.096 4.436 4.340 0.000 0.000 0.228 383 R C 2.284 178.733 176.300 0.247 0.000 1.110 383 R CA 0.919 57.127 56.100 0.180 0.000 0.973 383 R CB -0.236 30.185 30.300 0.203 0.000 0.869 383 R HN 0.151 nan 8.270 nan 0.000 0.440 384 A N 1.317 124.263 122.820 0.210 0.000 1.940 384 A HA -0.203 4.117 4.320 0.000 0.000 0.219 384 A C 2.117 179.677 177.584 -0.040 0.000 1.176 384 A CA 1.310 53.481 52.037 0.223 0.000 0.631 384 A CB -0.461 18.699 19.000 0.268 0.000 0.814 384 A HN 0.209 nan 8.150 nan 0.000 0.446 385 R N -0.391 119.995 120.500 -0.190 0.000 2.081 385 R HA -0.173 4.168 4.340 0.000 0.000 0.235 385 R C 2.239 178.418 176.300 -0.201 0.000 1.131 385 R CA 1.744 57.572 56.100 -0.454 0.000 0.960 385 R CB -0.294 29.842 30.300 -0.274 0.000 0.856 385 R HN 0.732 nan 8.270 nan 0.000 0.436 386 E N -0.019 120.147 120.200 -0.055 0.000 2.110 386 E HA -0.262 4.088 4.350 0.000 0.000 0.193 386 E C 2.018 178.600 176.600 -0.029 0.000 0.988 386 E CA 1.184 57.570 56.400 -0.023 0.000 0.804 386 E CB 0.015 29.735 29.700 0.034 0.000 0.745 386 E HN 0.077 nan 8.360 nan 0.000 0.458 387 R N 0.925 121.444 120.500 0.033 0.000 2.092 387 R HA -0.055 4.285 4.340 0.000 0.000 0.231 387 R C 2.112 178.371 176.300 -0.068 0.000 1.119 387 R CA 1.296 57.400 56.100 0.007 0.000 0.970 387 R CB -0.640 29.718 30.300 0.096 0.000 0.864 387 R HN 0.269 nan 8.270 nan 0.000 0.440 388 I N 0.244 120.749 120.570 -0.108 0.000 2.179 388 I HA -0.273 3.897 4.170 0.000 0.000 0.242 388 I C 1.634 177.653 176.117 -0.164 0.000 1.088 388 I CA 0.864 62.071 61.300 -0.155 0.000 1.357 388 I CB -0.253 37.619 38.000 -0.214 0.000 1.051 388 I HN 0.135 nan 8.210 nan 0.000 0.409 389 I N 0.586 121.059 120.570 -0.162 0.000 2.163 389 I HA -0.302 3.868 4.170 0.000 0.000 0.243 389 I C 2.198 178.208 176.117 -0.179 0.000 1.085 389 I CA 1.679 62.877 61.300 -0.171 0.000 1.347 389 I CB -1.503 36.415 38.000 -0.138 0.000 1.044 389 I HN 0.259 nan 8.210 nan 0.000 0.408 390 D N 0.718 121.019 120.400 -0.164 0.000 2.123 390 D HA -0.143 4.497 4.640 0.000 0.000 0.196 390 D C 2.410 178.573 176.300 -0.228 0.000 0.992 390 D CA 1.167 55.023 54.000 -0.239 0.000 0.833 390 D CB -0.126 40.529 40.800 -0.241 0.000 0.954 390 D HN 0.333 nan 8.370 nan 0.000 0.455 391 I N 1.004 121.513 120.570 -0.101 0.000 2.202 391 I HA -0.219 3.951 4.170 0.000 0.000 0.242 391 I C 2.421 178.530 176.117 -0.012 0.000 1.091 391 I CA 0.995 62.263 61.300 -0.054 0.000 1.368 391 I CB -0.186 37.641 38.000 -0.289 0.000 1.058 391 I HN -0.082 nan 8.210 nan 0.000 0.410 392 A N -0.138 122.627 122.820 -0.091 0.000 2.015 392 A HA -0.154 4.166 4.320 0.000 0.000 0.219 392 A C 2.353 179.896 177.584 -0.069 0.000 1.163 392 A CA 1.698 53.710 52.037 -0.042 0.000 0.646 392 A CB -0.579 18.250 19.000 -0.284 0.000 0.806 392 A HN 0.386 nan 8.150 nan 0.000 0.448 393 S N -0.260 115.363 115.700 -0.127 0.000 2.500 393 S HA -0.085 4.385 4.470 0.000 0.000 0.239 393 S C 1.711 176.325 174.600 0.024 0.000 0.989 393 S CA 1.540 59.689 58.200 -0.084 0.000 0.951 393 S CB -0.382 62.733 63.200 -0.142 0.000 0.759 393 S HN 0.892 nan 8.310 nan 0.000 0.523 394 T N -1.290 113.320 114.554 0.093 0.000 3.092 394 T HA 0.244 4.594 4.350 0.000 0.000 0.258 394 T C 0.255 174.959 174.700 0.008 0.000 1.031 394 T CA -0.373 61.801 62.100 0.123 0.000 0.925 394 T CB 0.029 69.032 68.868 0.225 0.000 1.036 394 T HN 0.274 nan 8.240 nan 0.000 0.544 395 Q N 0.479 120.345 119.800 0.111 0.000 2.299 395 Q HA 0.491 4.831 4.340 0.000 0.000 0.246 395 Q C -1.088 174.925 176.000 0.022 0.000 0.935 395 Q CA -0.793 55.020 55.803 0.018 0.000 0.887 395 Q CB 0.517 29.489 28.738 0.390 0.000 1.223 395 Q HN 0.341 nan 8.270 nan 0.000 0.439 396 F N 0.582 120.631 119.950 0.165 0.000 2.380 396 F HA 0.358 4.885 4.527 0.000 0.000 0.321 396 F C 1.173 176.847 175.800 -0.210 0.000 1.103 396 F CA -0.197 57.819 58.000 0.027 0.000 1.067 396 F CB 0.629 39.556 39.000 -0.121 0.000 1.265 396 F HN 0.780 nan 8.300 nan 0.000 0.517 397 A N 0.498 123.082 122.820 -0.395 0.000 2.019 397 A HA -0.185 4.135 4.320 0.000 0.000 0.219 397 A C 1.665 178.979 177.584 -0.450 0.000 1.164 397 A CA 1.812 53.229 52.037 -1.033 0.000 0.644 397 A CB -1.006 17.525 19.000 -0.782 0.000 0.805 397 A HN 0.780 nan 8.150 nan 0.000 0.449 398 D N -2.264 118.044 120.400 -0.152 0.000 2.349 398 D HA 0.253 4.893 4.640 0.000 0.000 0.224 398 D C 1.209 177.569 176.300 0.100 0.000 1.029 398 D CA 1.118 55.111 54.000 -0.012 0.000 0.879 398 D CB -0.438 40.385 40.800 0.038 0.000 0.906 398 D HN 0.746 nan 8.370 nan 0.000 0.528 399 G N 0.127 108.952 108.800 0.042 0.000 2.258 399 G HA2 -0.293 3.667 3.960 0.000 0.000 0.233 399 G HA3 -0.293 3.667 3.960 0.000 0.000 0.233 399 G C 0.505 175.304 174.900 -0.167 0.000 1.006 399 G CA 0.365 45.497 45.100 0.053 0.000 0.620 399 G HN 0.847 nan 8.290 nan 0.000 0.511 400 S N 0.339 115.865 115.700 -0.291 0.000 2.589 400 S HA 0.787 5.257 4.470 0.000 0.000 0.265 400 S C 0.263 174.787 174.600 -0.127 0.000 1.342 400 S CA 0.906 58.869 58.200 -0.395 0.000 1.005 400 S CB 1.963 64.966 63.200 -0.329 0.000 0.909 400 S HN 2.116 nan 8.310 nan 0.000 0.555 401 A N 0.463 123.124 122.820 -0.265 0.000 2.556 401 A HA 0.640 4.960 4.320 0.000 0.000 0.294 401 A C -1.332 176.096 177.584 -0.259 0.000 1.091 401 A CA -0.896 50.830 52.037 -0.519 0.000 0.704 401 A CB 0.414 18.690 19.000 -1.208 0.000 1.300 401 A HN 0.740 nan 8.150 nan 0.000 0.406 402 Y N 0.653 120.773 120.300 -0.301 0.000 2.702 402 Y HA 0.072 4.622 4.550 0.000 0.000 0.336 402 Y C 1.690 177.657 175.900 0.111 0.000 1.235 402 Y CA 1.474 59.602 58.100 0.047 0.000 1.492 402 Y CB 0.403 38.885 38.460 0.038 0.000 1.308 402 Y HN 0.950 nan 8.280 nan 0.000 0.589 403 H N 1.333 120.580 119.070 0.296 0.000 2.495 403 H HA 0.018 4.574 4.556 0.000 0.000 0.287 403 H C -0.171 175.255 175.328 0.164 0.000 1.033 403 H CA 1.385 57.548 56.048 0.191 0.000 1.307 403 H CB 0.447 30.322 29.762 0.188 0.000 1.401 403 H HN 0.743 nan 8.280 nan 0.000 0.555 404 Q N -1.663 118.239 119.800 0.171 0.000 2.687 404 Q HA 0.297 4.637 4.340 0.000 0.000 0.295 404 Q C -1.637 174.406 176.000 0.073 0.000 0.920 404 Q CA -1.279 54.520 55.803 -0.007 0.000 0.766 404 Q CB 1.602 30.268 28.738 -0.119 0.000 1.467 404 Q HN 0.170 nan 8.270 nan 0.000 0.415 405 Y N -1.556 118.709 120.300 -0.058 0.000 2.602 405 Y HA 0.655 5.205 4.550 0.000 0.000 0.342 405 Y C -0.849 174.983 175.900 -0.113 0.000 1.029 405 Y CA -1.413 56.624 58.100 -0.105 0.000 1.080 405 Y CB 1.492 39.894 38.460 -0.097 0.000 1.284 405 Y HN 0.703 nan 8.280 nan 0.000 0.485 406 Q N 3.148 123.047 119.800 0.165 0.000 2.293 406 Q HA 0.354 4.694 4.340 0.000 0.000 0.263 406 Q C -2.159 173.930 176.000 0.148 0.000 1.002 406 Q CA -2.167 53.674 55.803 0.063 0.000 0.910 406 Q CB 1.356 30.107 28.738 0.021 0.000 1.185 406 Q HN 0.493 nan 8.270 nan 0.000 0.401 407 P HA -0.199 nan 4.420 nan 0.000 0.216 407 P C 0.729 178.058 177.300 0.049 0.000 1.150 407 P CA 0.789 63.920 63.100 0.051 0.000 0.843 407 P CB 0.162 31.821 31.700 -0.068 0.000 0.787 408 L N -0.555 120.674 121.223 0.009 0.000 2.093 408 L HA -0.088 4.252 4.340 0.000 0.000 0.208 408 L C 2.006 178.874 176.870 -0.003 0.000 1.085 408 L CA 2.499 57.331 54.840 -0.012 0.000 0.755 408 L CB -1.493 40.565 42.059 -0.003 0.000 0.904 408 L HN 0.077 nan 8.230 nan 0.000 0.435 409 T N -5.551 109.006 114.554 0.005 0.000 3.014 409 T HA 0.092 4.442 4.350 0.000 0.000 0.250 409 T C 0.974 175.633 174.700 -0.067 0.000 1.060 409 T CA 0.230 62.319 62.100 -0.019 0.000 1.040 409 T CB -0.071 68.788 68.868 -0.015 0.000 0.971 409 T HN 0.342 nan 8.240 nan 0.000 0.497 410 K N 0.627 120.987 120.400 -0.068 0.000 3.281 410 K HA -0.153 4.167 4.320 0.000 0.000 0.295 410 K C -0.277 176.109 176.600 -0.356 0.000 1.233 410 K CA 0.463 56.542 56.287 -0.347 0.000 0.866 410 K CB -1.317 30.907 32.500 -0.459 0.000 1.265 410 K HN 0.499 nan 8.250 nan 0.000 0.482 411 R N 0.573 120.993 120.500 -0.134 0.000 2.407 411 R HA 0.339 4.679 4.340 0.000 0.000 0.303 411 R C 0.749 176.951 176.300 -0.163 0.000 0.981 411 R CA -0.098 55.920 56.100 -0.137 0.000 0.905 411 R CB 1.444 31.687 30.300 -0.096 0.000 1.099 411 R HN 0.187 nan 8.270 nan 0.000 0.459 412 G N 1.431 110.025 108.800 -0.344 0.000 2.594 412 G HA2 0.140 4.100 3.960 0.000 0.000 0.243 412 G HA3 0.140 4.100 3.960 0.000 0.000 0.243 412 G C -0.317 173.944 174.900 -1.065 0.000 1.229 412 G CA -0.343 44.352 45.100 -0.675 0.000 0.843 412 G HN 0.778 nan 8.290 nan 0.000 0.578 413 N N -1.476 116.881 118.700 -0.573 0.000 2.732 413 N HA 0.250 4.990 4.740 0.000 0.000 0.259 413 N C -0.382 175.256 175.510 0.215 0.000 1.402 413 N CA -1.026 51.882 53.050 -0.236 0.000 0.829 413 N CB 1.168 39.604 38.487 -0.086 0.000 1.495 413 N HN 0.188 nan 8.380 nan 0.000 0.511 414 N N -0.316 118.563 118.700 0.298 0.000 2.251 414 N HA 0.076 4.816 4.740 0.000 0.000 0.217 414 N C -0.505 175.128 175.510 0.205 0.000 1.124 414 N CA 0.011 53.250 53.050 0.316 0.000 0.843 414 N CB 0.112 38.774 38.487 0.291 0.000 1.024 414 N HN 0.539 nan 8.380 nan 0.000 0.501 415 D N 0.652 121.142 120.400 0.149 0.000 2.309 415 D HA -0.074 4.566 4.640 0.000 0.000 0.212 415 D C 1.436 177.805 176.300 0.115 0.000 0.968 415 D CA 0.782 54.843 54.000 0.102 0.000 0.882 415 D CB 0.279 41.113 40.800 0.056 0.000 0.918 415 D HN 0.573 nan 8.370 nan 0.000 0.503 416 I N -4.246 116.426 120.570 0.170 0.000 3.491 416 I HA 0.559 4.729 4.170 0.000 0.000 0.332 416 I C 0.480 176.786 176.117 0.315 0.000 1.565 416 I CA -0.512 60.905 61.300 0.195 0.000 1.050 416 I CB 0.691 38.786 38.000 0.158 0.000 1.348 416 I HN -0.086 nan 8.210 nan 0.000 0.506 417 G N 0.699 109.674 108.800 0.293 0.000 2.462 417 G HA2 0.097 4.057 3.960 0.000 0.000 0.685 417 G HA3 0.097 4.057 3.960 0.000 0.000 0.685 417 G C -1.137 173.965 174.900 0.337 0.000 1.295 417 G CA -0.173 45.103 45.100 0.295 0.000 0.941 417 G HN 0.374 nan 8.290 nan 0.000 0.554 418 S N -1.416 114.340 115.700 0.093 0.000 2.588 418 S HA 0.789 5.259 4.470 0.000 0.000 0.275 418 S C 0.767 175.253 174.600 -0.189 0.000 1.130 418 S CA 1.234 59.473 58.200 0.066 0.000 0.855 418 S CB 1.291 64.499 63.200 0.013 0.000 1.116 418 S HN 2.804 nan 8.310 nan 0.000 0.472 419 G N 1.753 110.511 108.800 -0.070 0.000 2.182 419 G HA2 -0.212 3.748 3.960 0.000 0.000 0.248 419 G HA3 -0.212 3.748 3.960 0.000 0.000 0.248 419 G C -0.305 174.452 174.900 -0.238 0.000 1.042 419 G CA -0.123 44.891 45.100 -0.144 0.000 0.775 419 G HN 0.511 nan 8.290 nan 0.000 0.501 420 F N 0.735 120.628 119.950 -0.095 0.000 2.434 420 F HA 0.341 4.868 4.527 0.000 0.000 0.358 420 F C 1.355 177.181 175.800 0.044 0.000 1.136 420 F CA -0.808 57.161 58.000 -0.052 0.000 1.157 420 F CB 0.839 39.752 39.000 -0.145 0.000 1.167 420 F HN -0.043 nan 8.300 nan 0.000 0.539 421 N N 1.837 120.666 118.700 0.215 0.000 2.571 421 N HA -0.132 4.608 4.740 0.000 0.000 0.189 421 N C 1.463 177.132 175.510 0.265 0.000 1.154 421 N CA 0.640 53.830 53.050 0.234 0.000 0.907 421 N CB -0.243 38.416 38.487 0.286 0.000 0.977 421 N HN 0.601 nan 8.380 nan 0.000 0.449 422 D N -0.492 120.119 120.400 0.351 0.000 2.289 422 D HA -0.075 4.565 4.640 0.000 0.000 0.207 422 D C 0.735 177.283 176.300 0.412 0.000 0.966 422 D CA 0.358 54.583 54.000 0.375 0.000 0.868 422 D CB -0.147 41.019 40.800 0.610 0.000 0.943 422 D HN -0.059 nan 8.370 nan 0.000 0.514 423 D N 1.847 122.534 120.400 0.478 0.000 2.106 423 D HA -0.115 4.525 4.640 0.000 0.000 0.191 423 D C -0.660 175.898 176.300 0.430 0.000 0.997 423 D CA 1.315 55.641 54.000 0.544 0.000 0.834 423 D CB -1.396 39.533 40.800 0.215 0.000 0.956 423 D HN 0.278 nan 8.370 nan 0.000 0.448 424 P HA -0.074 nan 4.420 nan 0.000 0.216 424 P C 1.588 179.062 177.300 0.289 0.000 1.150 424 P CA 0.826 64.012 63.100 0.143 0.000 0.837 424 P CB -0.005 31.656 31.700 -0.064 0.000 0.786 425 L N -3.139 118.218 121.223 0.224 0.000 2.201 425 L HA -0.086 4.254 4.340 0.000 0.000 0.212 425 L C 2.198 179.136 176.870 0.112 0.000 1.105 425 L CA 1.171 56.112 54.840 0.168 0.000 0.775 425 L CB -0.861 41.264 42.059 0.111 0.000 0.913 425 L HN 0.055 nan 8.230 nan 0.000 0.440 426 W N -0.277 121.191 121.300 0.280 0.000 2.392 426 W HA -0.199 4.461 4.660 0.000 0.000 0.279 426 W C 2.313 178.878 176.519 0.076 0.000 1.225 426 W CA 0.053 57.498 57.345 0.166 0.000 1.233 426 W CB -0.137 29.491 29.460 0.281 0.000 1.122 426 W HN 0.107 nan 8.180 nan 0.000 0.561 427 L N 0.446 121.910 121.223 0.401 0.000 2.083 427 L HA -0.149 4.191 4.340 0.000 0.000 0.209 427 L C 1.978 178.945 176.870 0.161 0.000 1.083 427 L CA 1.834 56.804 54.840 0.217 0.000 0.752 427 L CB -0.689 41.563 42.059 0.322 0.000 0.899 427 L HN 0.011 nan 8.230 nan 0.000 0.433 428 I N -0.586 120.089 120.570 0.175 0.000 2.226 428 I HA -0.285 3.885 4.170 0.000 0.000 0.245 428 I C 2.609 178.758 176.117 0.055 0.000 1.100 428 I CA 1.071 62.474 61.300 0.172 0.000 1.374 428 I CB -0.723 37.425 38.000 0.246 0.000 1.057 428 I HN 0.352 nan 8.210 nan 0.000 0.413 429 A N 1.159 123.846 122.820 -0.221 0.000 1.883 429 A HA -0.182 4.138 4.320 0.000 0.000 0.217 429 A C 2.455 180.017 177.584 -0.036 0.000 1.186 429 A CA 2.172 53.926 52.037 -0.471 0.000 0.624 429 A CB -1.537 16.966 19.000 -0.828 0.000 0.822 429 A HN 0.463 nan 8.150 nan 0.000 0.444 430 G N -0.849 107.977 108.800 0.043 0.000 2.418 430 G HA2 -0.096 3.864 3.960 0.000 0.000 0.217 430 G HA3 -0.096 3.864 3.960 0.000 0.000 0.217 430 G C 1.507 176.473 174.900 0.110 0.000 1.158 430 G CA 1.288 46.432 45.100 0.073 0.000 0.771 430 G HN 0.346 nan 8.290 nan 0.000 0.545 431 V N 1.407 121.390 119.914 0.115 0.000 2.358 431 V HA -0.057 4.063 4.120 0.000 0.000 0.246 431 V C 3.297 179.510 176.094 0.200 0.000 1.047 431 V CA 1.880 64.278 62.300 0.163 0.000 1.035 431 V CB -0.736 31.181 31.823 0.157 0.000 0.658 431 V HN 0.469 nan 8.190 nan 0.000 0.452 432 A N 0.199 123.134 122.820 0.192 0.000 1.877 432 A HA -0.123 4.197 4.320 0.000 0.000 0.216 432 A C 2.449 180.095 177.584 0.102 0.000 1.186 432 A CA 2.088 54.258 52.037 0.221 0.000 0.620 432 A CB -0.854 18.319 19.000 0.288 0.000 0.822 432 A HN 0.559 nan 8.150 nan 0.000 0.443 433 A N -1.402 121.479 122.820 0.102 0.000 1.908 433 A HA -0.179 4.141 4.320 0.000 0.000 0.218 433 A C 2.174 179.785 177.584 0.045 0.000 1.181 433 A CA 1.790 53.862 52.037 0.059 0.000 0.627 433 A CB -0.864 18.186 19.000 0.085 0.000 0.818 433 A HN 0.817 nan 8.150 nan 0.000 0.445 434 Y N 0.241 120.533 120.300 -0.014 0.000 2.200 434 Y HA -0.126 4.424 4.550 0.000 0.000 0.290 434 Y C 1.981 177.824 175.900 -0.096 0.000 1.137 434 Y CA 1.810 59.889 58.100 -0.035 0.000 1.163 434 Y CB -0.167 38.286 38.460 -0.012 0.000 0.988 434 Y HN 0.258 nan 8.280 nan 0.000 0.518 435 I N 0.288 120.748 120.570 -0.184 0.000 2.252 435 I HA -0.280 3.890 4.170 0.000 0.000 0.245 435 I C 2.244 178.131 176.117 -0.384 0.000 1.102 435 I CA 1.437 62.486 61.300 -0.418 0.000 1.385 435 I CB -0.386 37.356 38.000 -0.431 0.000 1.064 435 I HN 0.170 nan 8.210 nan 0.000 0.414 436 K N 0.505 120.726 120.400 -0.298 0.000 2.057 436 K HA -0.251 4.069 4.320 0.000 0.000 0.207 436 K C 2.065 178.544 176.600 -0.201 0.000 1.049 436 K CA 1.707 57.807 56.287 -0.310 0.000 0.931 436 K CB -0.159 32.109 32.500 -0.387 0.000 0.714 436 K HN 0.148 nan 8.250 nan 0.000 0.440 437 E N 1.017 121.084 120.200 -0.221 0.000 2.031 437 E HA -0.168 4.182 4.350 0.000 0.000 0.193 437 E C 1.791 178.213 176.600 -0.296 0.000 0.994 437 E CA 2.289 58.568 56.400 -0.202 0.000 0.800 437 E CB -0.040 29.569 29.700 -0.152 0.000 0.752 437 E HN 0.255 nan 8.360 nan 0.000 0.447 438 S N -1.913 113.516 115.700 -0.451 0.000 2.502 438 S HA 0.259 4.729 4.470 0.000 0.000 0.215 438 S C 1.721 176.107 174.600 -0.356 0.000 1.009 438 S CA 0.397 58.325 58.200 -0.452 0.000 0.908 438 S CB 0.206 62.974 63.200 -0.721 0.000 0.801 438 S HN 0.617 nan 8.310 nan 0.000 0.505 439 G N 1.983 110.565 108.800 -0.363 0.000 2.187 439 G HA2 -0.297 3.663 3.960 0.000 0.000 0.261 439 G HA3 -0.297 3.663 3.960 0.000 0.000 0.261 439 G C -0.067 174.704 174.900 -0.215 0.000 1.000 439 G CA 0.434 45.398 45.100 -0.228 0.000 0.718 439 G HN 0.655 nan 8.290 nan 0.000 0.519 440 D N -0.293 119.917 120.400 -0.317 0.000 2.608 440 D HA 0.279 4.919 4.640 0.000 0.000 0.224 440 D C 1.310 177.565 176.300 -0.075 0.000 1.123 440 D CA -0.762 53.176 54.000 -0.104 0.000 1.030 440 D CB -0.572 40.219 40.800 -0.014 0.000 1.093 440 D HN 0.469 nan 8.370 nan 0.000 0.497 441 W N 1.763 123.108 121.300 0.075 0.000 2.350 441 W HA -0.026 4.634 4.660 0.000 0.000 0.289 441 W C 2.490 179.064 176.519 0.091 0.000 1.215 441 W CA 0.906 58.300 57.345 0.082 0.000 1.236 441 W CB -0.236 29.245 29.460 0.036 0.000 1.130 441 W HN 0.443 nan 8.180 nan 0.000 0.541 442 G N 0.234 109.192 108.800 0.263 0.000 2.498 442 G HA2 -0.257 3.703 3.960 0.000 0.000 0.219 442 G HA3 -0.257 3.703 3.960 0.000 0.000 0.219 442 G C 1.430 176.427 174.900 0.161 0.000 1.119 442 G CA 0.741 45.953 45.100 0.187 0.000 0.766 442 G HN 0.350 nan 8.290 nan 0.000 0.552 443 I N 0.242 120.917 120.570 0.176 0.000 2.454 443 I HA -0.092 4.078 4.170 0.000 0.000 0.254 443 I C 2.315 178.515 176.117 0.138 0.000 1.156 443 I CA 0.699 62.082 61.300 0.138 0.000 1.433 443 I CB 0.090 38.182 38.000 0.153 0.000 1.082 443 I HN 0.147 nan 8.210 nan 0.000 0.432 444 L N 0.166 121.506 121.223 0.195 0.000 2.275 444 L HA -0.185 4.155 4.340 0.000 0.000 0.215 444 L C 1.493 178.492 176.870 0.214 0.000 1.119 444 L CA 0.896 55.885 54.840 0.248 0.000 0.790 444 L CB -0.591 41.652 42.059 0.307 0.000 0.919 444 L HN 0.273 nan 8.230 nan 0.000 0.443 445 D N -0.618 119.876 120.400 0.157 0.000 2.350 445 D HA -0.032 4.608 4.640 0.000 0.000 0.213 445 D C 0.716 177.073 176.300 0.096 0.000 1.031 445 D CA 0.217 54.292 54.000 0.125 0.000 0.861 445 D CB 0.176 41.036 40.800 0.100 0.000 0.926 445 D HN 0.174 nan 8.370 nan 0.000 0.520 446 E N 2.071 122.318 120.200 0.077 0.000 2.465 446 E HA 0.055 4.405 4.350 0.000 0.000 0.260 446 E C -2.506 174.107 176.600 0.022 0.000 0.980 446 E CA -1.395 55.026 56.400 0.035 0.000 0.927 446 E CB 0.752 30.454 29.700 0.002 0.000 0.934 446 E HN -0.077 nan 8.360 nan 0.000 0.459 447 P HA 0.100 nan 4.420 nan 0.000 0.276 447 P C -1.243 176.030 177.300 -0.044 0.000 1.235 447 P CA -0.152 62.955 63.100 0.012 0.000 0.772 447 P CB 0.912 32.625 31.700 0.022 0.000 0.871 448 V N 6.103 125.971 119.914 -0.076 0.000 2.623 448 V HA 0.389 4.509 4.120 0.000 0.000 0.304 448 V C -2.161 173.855 176.094 -0.130 0.000 1.054 448 V CA -1.994 60.185 62.300 -0.201 0.000 0.882 448 V CB 2.329 33.833 31.823 -0.533 0.000 1.002 448 V HN 0.501 nan 8.190 nan 0.000 0.424 449 P HA 0.394 nan 4.420 nan 0.000 0.276 449 P C -1.146 176.121 177.300 -0.055 0.000 1.261 449 P CA -0.360 62.720 63.100 -0.032 0.000 0.800 449 P CB 0.912 32.627 31.700 0.025 0.000 1.066 450 F N -0.438 119.628 119.950 0.193 0.000 2.436 450 F HA 0.196 4.723 4.527 0.000 0.000 0.340 450 F C 1.102 176.983 175.800 0.135 0.000 1.113 450 F CA 0.271 58.374 58.000 0.171 0.000 1.022 450 F CB 0.194 39.260 39.000 0.110 0.000 1.128 450 F HN 0.362 nan 8.300 nan 0.000 0.466 451 D N 2.570 123.136 120.400 0.277 0.000 2.701 451 D HA -0.325 4.315 4.640 0.000 0.000 0.235 451 D C 0.284 176.692 176.300 0.180 0.000 1.155 451 D CA 1.330 55.467 54.000 0.228 0.000 0.649 451 D CB -1.327 39.696 40.800 0.371 0.000 1.050 451 D HN 0.842 nan 8.370 nan 0.000 0.425 452 N N -1.379 117.386 118.700 0.108 0.000 2.713 452 N HA -0.245 4.496 4.740 0.000 0.000 0.251 452 N C -0.936 174.620 175.510 0.076 0.000 1.117 452 N CA 1.225 54.307 53.050 0.054 0.000 0.770 452 N CB -0.347 38.151 38.487 0.018 0.000 1.137 452 N HN 0.390 nan 8.380 nan 0.000 0.566 453 E N 0.836 121.108 120.200 0.121 0.000 2.166 453 E HA 0.164 4.514 4.350 0.000 0.000 0.279 453 E C -2.222 174.435 176.600 0.094 0.000 1.095 453 E CA -1.803 54.668 56.400 0.118 0.000 0.888 453 E CB 0.392 30.186 29.700 0.158 0.000 1.041 453 E HN 0.186 nan 8.360 nan 0.000 0.414 454 P HA -0.024 nan 4.420 nan 0.000 0.262 454 P C 0.748 178.089 177.300 0.068 0.000 1.182 454 P CA 0.855 63.989 63.100 0.057 0.000 0.761 454 P CB 0.534 32.261 31.700 0.045 0.000 0.795 455 G N 2.593 111.433 108.800 0.067 0.000 2.176 455 G HA2 -0.288 3.672 3.960 0.000 0.000 0.253 455 G HA3 -0.288 3.672 3.960 0.000 0.000 0.253 455 G C 0.933 175.892 174.900 0.099 0.000 0.979 455 G CA 0.429 45.573 45.100 0.073 0.000 0.641 455 G HN 0.627 nan 8.290 nan 0.000 0.530 456 S N -0.280 115.494 115.700 0.124 0.000 2.575 456 S HA 0.402 4.873 4.470 0.000 0.000 0.215 456 S C 0.522 175.233 174.600 0.185 0.000 0.966 456 S CA 0.602 58.916 58.200 0.191 0.000 0.911 456 S CB 0.446 63.806 63.200 0.266 0.000 0.780 456 S HN 0.452 nan 8.310 nan 0.000 0.514 457 E N 2.042 122.307 120.200 0.107 0.000 2.465 457 E HA 0.312 4.662 4.350 0.000 0.000 0.260 457 E C 0.036 176.691 176.600 0.092 0.000 0.980 457 E CA 0.199 56.638 56.400 0.064 0.000 0.927 457 E CB 0.951 30.679 29.700 0.046 0.000 0.934 457 E HN 0.446 nan 8.360 nan 0.000 0.459 458 V N 0.802 120.759 119.914 0.071 0.000 3.102 458 V HA 0.711 4.831 4.120 0.000 0.000 0.312 458 V C -2.627 173.552 176.094 0.142 0.000 1.135 458 V CA -3.131 59.246 62.300 0.128 0.000 1.022 458 V CB 1.952 33.887 31.823 0.185 0.000 1.056 458 V HN 0.414 nan 8.190 nan 0.000 0.436 459 P HA 0.115 nan 4.420 nan 0.000 0.267 459 P C 0.731 178.169 177.300 0.231 0.000 1.200 459 P CA -0.067 63.143 63.100 0.183 0.000 0.772 459 P CB 0.508 32.344 31.700 0.226 0.000 0.855 460 L N 3.705 125.021 121.223 0.155 0.000 2.081 460 L HA -0.170 4.170 4.340 0.000 0.000 0.212 460 L C 1.970 178.994 176.870 0.257 0.000 1.080 460 L CA 1.716 56.628 54.840 0.121 0.000 0.754 460 L CB -1.245 40.842 42.059 0.046 0.000 0.893 460 L HN 0.316 nan 8.230 nan 0.000 0.433 461 F N 0.617 120.678 119.950 0.186 0.000 2.120 461 F HA -0.307 4.220 4.527 0.000 0.000 0.300 461 F C 2.445 178.418 175.800 0.289 0.000 1.095 461 F CA 2.019 60.152 58.000 0.223 0.000 1.249 461 F CB -0.105 38.998 39.000 0.173 0.000 0.995 461 F HN 0.310 nan 8.300 nan 0.000 0.480 462 E N -0.460 119.885 120.200 0.240 0.000 2.150 462 E HA -0.218 4.132 4.350 0.000 0.000 0.193 462 E C 2.160 178.843 176.600 0.139 0.000 0.985 462 E CA 1.692 58.198 56.400 0.177 0.000 0.814 462 E CB -0.589 29.268 29.700 0.261 0.000 0.752 462 E HN 0.563 nan 8.360 nan 0.000 0.466 463 H N 0.123 119.259 119.070 0.110 0.000 2.319 463 H HA -0.136 4.420 4.556 0.000 0.000 0.297 463 H C 2.146 177.547 175.328 0.122 0.000 1.097 463 H CA 1.744 57.886 56.048 0.157 0.000 1.285 463 H CB -0.070 29.727 29.762 0.059 0.000 1.368 463 H HN 0.246 nan 8.280 nan 0.000 0.495 464 L N 0.037 121.344 121.223 0.141 0.000 2.046 464 L HA -0.158 4.182 4.340 0.000 0.000 0.208 464 L C 2.667 179.491 176.870 -0.076 0.000 1.077 464 L CA 1.315 56.200 54.840 0.074 0.000 0.747 464 L CB -0.765 41.346 42.059 0.086 0.000 0.896 464 L HN 0.222 nan 8.230 nan 0.000 0.432 465 T N -0.552 113.924 114.554 -0.131 0.000 2.684 465 T HA -0.152 4.198 4.350 0.000 0.000 0.267 465 T C 2.054 176.765 174.700 0.018 0.000 1.036 465 T CA 1.091 63.140 62.100 -0.086 0.000 1.148 465 T CB -0.150 68.762 68.868 0.073 0.000 0.863 465 T HN 0.226 nan 8.240 nan 0.000 0.436 466 R N 1.331 121.881 120.500 0.084 0.000 2.081 466 R HA 0.040 4.380 4.340 0.000 0.000 0.235 466 R C 2.806 179.187 176.300 0.135 0.000 1.131 466 R CA 1.028 57.194 56.100 0.110 0.000 0.960 466 R CB -1.265 29.109 30.300 0.123 0.000 0.856 466 R HN 0.334 nan 8.270 nan 0.000 0.436 467 S N 1.073 116.858 115.700 0.141 0.000 2.353 467 S HA -0.145 4.325 4.470 0.000 0.000 0.222 467 S C 1.676 176.380 174.600 0.172 0.000 1.035 467 S CA 1.361 59.660 58.200 0.165 0.000 1.025 467 S CB -0.431 62.885 63.200 0.193 0.000 0.902 467 S HN 0.318 nan 8.310 nan 0.000 0.440 468 F N 2.389 122.269 119.950 -0.116 0.000 2.095 468 F HA -0.195 4.332 4.527 0.000 0.000 0.298 468 F C 2.635 178.429 175.800 -0.009 0.000 1.104 468 F CA 1.540 59.456 58.000 -0.140 0.000 1.232 468 F CB -0.220 38.309 39.000 -0.784 0.000 0.987 468 F HN 0.109 nan 8.300 nan 0.000 0.475 469 Q N -0.347 119.476 119.800 0.039 0.000 2.170 469 Q HA -0.211 4.129 4.340 0.000 0.000 0.203 469 Q C 2.159 178.090 176.000 -0.114 0.000 0.976 469 Q CA 1.555 57.328 55.803 -0.050 0.000 0.858 469 Q CB -0.980 27.794 28.738 0.060 0.000 0.907 469 Q HN 0.572 nan 8.270 nan 0.000 0.433 470 F N 1.596 121.470 119.950 -0.126 0.000 2.065 470 F HA -0.266 4.261 4.527 0.000 0.000 0.298 470 F C 2.150 177.828 175.800 -0.204 0.000 1.112 470 F CA 1.951 59.874 58.000 -0.128 0.000 1.212 470 F CB -0.305 38.660 39.000 -0.059 0.000 0.975 470 F HN 0.020 nan 8.300 nan 0.000 0.476 471 T N 0.140 114.635 114.554 -0.099 0.000 2.708 471 T HA -0.177 4.173 4.350 0.000 0.000 0.266 471 T C 2.163 176.459 174.700 -0.673 0.000 1.037 471 T CA 1.621 63.499 62.100 -0.370 0.000 1.146 471 T CB -0.801 67.870 68.868 -0.328 0.000 0.865 471 T HN 0.141 nan 8.240 nan 0.000 0.435 472 V N 1.838 121.297 119.914 -0.758 0.000 2.278 472 V HA -0.248 3.872 4.120 0.000 0.000 0.251 472 V C 2.354 178.097 176.094 -0.586 0.000 1.062 472 V CA 1.841 63.647 62.300 -0.823 0.000 1.038 472 V CB -0.623 30.639 31.823 -0.936 0.000 0.646 472 V HN 0.588 nan 8.190 nan 0.000 0.447 473 Q N -0.386 119.122 119.800 -0.487 0.000 2.403 473 Q HA 0.104 4.444 4.340 0.000 0.000 0.203 473 Q C 0.167 175.908 176.000 -0.432 0.000 0.932 473 Q CA 0.105 55.676 55.803 -0.386 0.000 0.945 473 Q CB 0.118 28.677 28.738 -0.299 0.000 1.045 473 Q HN 0.618 nan 8.270 nan 0.000 0.511 474 N N 1.281 119.661 118.700 -0.533 0.000 2.757 474 N HA 0.228 4.968 4.740 0.000 0.000 0.296 474 N C -0.973 174.315 175.510 -0.370 0.000 1.874 474 N CA -0.018 52.734 53.050 -0.496 0.000 0.885 474 N CB 0.867 38.893 38.487 -0.768 0.000 1.242 474 N HN 0.060 nan 8.380 nan 0.000 0.488 475 R N -0.649 119.665 120.500 -0.310 0.000 2.732 475 R HA 0.628 4.968 4.340 0.000 0.000 0.278 475 R C 0.809 176.997 176.300 -0.187 0.000 0.976 475 R CA -0.676 55.278 56.100 -0.244 0.000 0.963 475 R CB 1.564 31.714 30.300 -0.251 0.000 1.150 475 R HN 0.147 nan 8.270 nan 0.000 0.478 476 G N 0.818 109.531 108.800 -0.146 0.000 2.641 476 G HA2 0.220 4.180 3.960 0.000 0.000 0.239 476 G HA3 0.220 4.180 3.960 0.000 0.000 0.239 476 G C -1.828 172.957 174.900 -0.192 0.000 1.402 476 G CA -0.955 44.056 45.100 -0.149 0.000 1.046 476 G HN 0.340 nan 8.290 nan 0.000 0.565 477 P HA 0.026 nan 4.420 nan 0.000 0.221 477 P C 0.660 177.622 177.300 -0.563 0.000 1.150 477 P CA 1.038 63.895 63.100 -0.405 0.000 0.800 477 P CB 0.070 31.467 31.700 -0.505 0.000 0.787 478 H N -1.877 116.968 119.070 -0.374 0.000 2.533 478 H HA 0.350 4.906 4.556 0.000 0.000 0.271 478 H C 1.413 176.626 175.328 -0.192 0.000 1.000 478 H CA 0.614 56.371 56.048 -0.486 0.000 1.149 478 H CB -0.604 28.842 29.762 -0.525 0.000 1.375 478 H HN 0.045 nan 8.280 nan 0.000 0.582 479 G N 0.599 109.360 108.800 -0.065 0.000 2.153 479 G HA2 -0.289 3.671 3.960 0.000 0.000 0.252 479 G HA3 -0.289 3.671 3.960 0.000 0.000 0.252 479 G C -0.070 174.826 174.900 -0.008 0.000 0.994 479 G CA 0.173 45.261 45.100 -0.020 0.000 0.698 479 G HN 0.305 nan 8.290 nan 0.000 0.521 480 L N -0.016 121.210 121.223 0.006 0.000 2.344 480 L HA 0.526 4.866 4.340 0.000 0.000 0.272 480 L C -2.058 174.774 176.870 -0.064 0.000 1.035 480 L CA -2.644 52.203 54.840 0.012 0.000 0.807 480 L CB 1.695 43.822 42.059 0.113 0.000 1.237 480 L HN -0.185 nan 8.230 nan 0.000 0.442 481 P HA 0.097 nan 4.420 nan 0.000 0.268 481 P C -0.543 176.720 177.300 -0.061 0.000 1.204 481 P CA -0.159 62.858 63.100 -0.139 0.000 0.768 481 P CB 0.427 32.056 31.700 -0.119 0.000 0.842 482 L N 3.760 124.927 121.223 -0.093 0.000 2.514 482 L HA 0.040 4.380 4.340 0.000 0.000 0.280 482 L C 1.959 178.836 176.870 0.012 0.000 1.223 482 L CA 0.305 55.113 54.840 -0.053 0.000 0.864 482 L CB 0.148 42.148 42.059 -0.098 0.000 1.118 482 L HN 0.485 nan 8.230 nan 0.000 0.494 483 I N 1.214 121.802 120.570 0.030 0.000 2.716 483 I HA 0.051 4.221 4.170 0.000 0.000 0.259 483 I C 1.437 177.586 176.117 0.053 0.000 1.172 483 I CA 1.117 62.453 61.300 0.060 0.000 1.478 483 I CB -0.042 37.983 38.000 0.042 0.000 1.104 483 I HN 0.928 nan 8.210 nan 0.000 0.439 484 G N 1.124 109.940 108.800 0.027 0.000 2.547 484 G HA2 -0.445 3.515 3.960 0.000 0.000 0.271 484 G HA3 -0.445 3.515 3.960 0.000 0.000 0.271 484 G C 0.915 175.768 174.900 -0.079 0.000 1.209 484 G CA 0.549 45.646 45.100 -0.005 0.000 0.959 484 G HN 0.466 nan 8.290 nan 0.000 0.563 485 R N 0.482 120.855 120.500 -0.212 0.000 2.081 485 R HA 0.336 4.676 4.340 0.000 0.000 0.235 485 R C 1.174 177.310 176.300 -0.273 0.000 1.131 485 R CA 2.595 58.484 56.100 -0.350 0.000 0.960 485 R CB -0.378 29.466 30.300 -0.759 0.000 0.856 485 R HN 2.011 nan 8.270 nan 0.000 0.436 486 A N 0.020 122.721 122.820 -0.198 0.000 2.567 486 A HA 0.310 4.630 4.320 0.000 0.000 0.291 486 A C -1.604 176.090 177.584 0.183 0.000 1.048 486 A CA -0.603 51.452 52.037 0.030 0.000 0.661 486 A CB 0.912 20.000 19.000 0.147 0.000 1.288 486 A HN 0.358 nan 8.150 nan 0.000 0.424 487 D N -0.811 119.701 120.400 0.187 0.000 2.440 487 D HA 0.248 4.888 4.640 0.000 0.000 0.282 487 D C 1.205 177.658 176.300 0.255 0.000 1.189 487 D CA 0.207 54.374 54.000 0.278 0.000 1.105 487 D CB -0.573 40.412 40.800 0.307 0.000 1.173 487 D HN 0.684 nan 8.370 nan 0.000 0.577 488 W N 0.459 121.760 121.300 0.001 0.000 2.308 488 W HA -0.140 4.520 4.660 -0.000 0.000 0.301 488 W C 0.516 176.985 176.519 -0.083 0.000 1.220 488 W CA 1.419 58.739 57.345 -0.041 0.000 1.240 488 W CB -0.158 29.062 29.460 -0.400 0.000 1.142 488 W HN 0.181 nan 8.180 nan 0.000 0.521 489 N N 1.798 120.398 118.700 -0.168 0.000 2.415 489 N HA -0.047 4.693 4.740 0.000 0.000 0.250 489 N C 0.297 175.665 175.510 -0.237 0.000 1.127 489 N CA 0.462 53.268 53.050 -0.407 0.000 0.945 489 N CB 0.311 38.839 38.487 0.069 0.000 1.196 489 N HN 0.121 nan 8.380 nan 0.000 0.499 490 D N 1.998 122.195 120.400 -0.337 0.000 2.309 490 D HA -0.083 4.557 4.640 0.000 0.000 0.212 490 D C 0.861 177.165 176.300 0.006 0.000 0.968 490 D CA 0.858 54.830 54.000 -0.046 0.000 0.882 490 D CB 0.187 40.931 40.800 -0.094 0.000 0.918 490 D HN 0.523 nan 8.370 nan 0.000 0.503 491 C N 0.130 119.391 119.300 -0.066 0.000 2.906 491 C HA 0.254 4.714 4.460 0.000 0.000 0.274 491 C C 0.913 175.875 174.990 -0.046 0.000 1.257 491 C CA -0.734 58.254 59.018 -0.051 0.000 1.695 491 C CB -0.784 26.954 27.740 -0.003 0.000 1.958 491 C HN 0.130 nan 8.230 nan 0.000 0.619 492 L N 3.212 124.431 121.223 -0.006 0.000 2.389 492 L HA 0.330 4.670 4.340 0.000 0.000 0.265 492 L C -0.677 176.147 176.870 -0.077 0.000 1.167 492 L CA 0.453 55.277 54.840 -0.026 0.000 1.045 492 L CB -1.111 40.933 42.059 -0.026 0.000 1.351 492 L HN 0.236 nan 8.230 nan 0.000 0.419 493 N N 4.420 123.047 118.700 -0.123 0.000 2.621 493 N HA 0.272 5.012 4.740 0.000 0.000 0.237 493 N C 0.563 175.962 175.510 -0.185 0.000 0.997 493 N CA -0.330 52.651 53.050 -0.115 0.000 0.918 493 N CB 1.101 39.552 38.487 -0.059 0.000 1.122 493 N HN 0.480 nan 8.380 nan 0.000 0.510 494 L N 0.560 121.695 121.223 -0.147 0.000 2.509 494 L HA 0.144 4.484 4.340 0.000 0.000 0.222 494 L C 0.662 177.480 176.870 -0.087 0.000 1.123 494 L CA 0.484 55.223 54.840 -0.169 0.000 0.856 494 L CB 0.055 42.071 42.059 -0.072 0.000 0.985 494 L HN 0.506 nan 8.230 nan 0.000 0.456 495 N N -1.499 117.190 118.700 -0.018 0.000 2.328 495 N HA 0.073 4.813 4.740 0.000 0.000 0.247 495 N C 0.774 176.324 175.510 0.066 0.000 1.165 495 N CA 0.094 53.220 53.050 0.126 0.000 0.873 495 N CB 0.808 39.388 38.487 0.155 0.000 1.125 495 N HN 0.213 nan 8.380 nan 0.000 0.513 496 C N -0.719 118.530 119.300 -0.084 0.000 2.426 496 C HA 0.309 4.770 4.460 0.000 0.000 0.318 496 C C 0.307 175.347 174.990 0.084 0.000 1.451 496 C CA 0.107 59.122 59.018 -0.005 0.000 2.090 496 C CB -0.883 26.873 27.740 0.027 0.000 2.151 496 C HN 0.441 nan 8.230 nan 0.000 0.608 497 F N 2.337 122.257 119.950 -0.050 0.000 2.943 497 F HA -0.124 4.403 4.527 0.000 0.000 0.258 497 F C 0.525 176.335 175.800 0.017 0.000 0.995 497 F CA 0.804 58.773 58.000 -0.053 0.000 0.896 497 F CB -1.844 37.070 39.000 -0.142 0.000 0.821 497 F HN 0.322 nan 8.300 nan 0.000 0.828 498 S N 0.169 115.975 115.700 0.177 0.000 2.499 498 S HA 0.576 5.046 4.470 0.000 0.000 0.279 498 S C 0.957 175.655 174.600 0.163 0.000 1.219 498 S CA 0.211 58.466 58.200 0.092 0.000 1.062 498 S CB 1.079 64.202 63.200 -0.128 0.000 0.978 498 S HN 0.436 nan 8.310 nan 0.000 0.489 499 T N 0.502 115.107 114.554 0.085 0.000 3.043 499 T HA 0.240 4.590 4.350 0.000 0.000 0.272 499 T C 0.217 174.915 174.700 -0.002 0.000 0.990 499 T CA -0.259 61.896 62.100 0.091 0.000 0.897 499 T CB -0.057 68.865 68.868 0.089 0.000 1.111 499 T HN 0.496 nan 8.240 nan 0.000 0.529 500 T N 5.443 119.962 114.554 -0.058 0.000 2.728 500 T HA 0.467 4.817 4.350 0.000 0.000 0.296 500 T C -2.507 172.110 174.700 -0.139 0.000 0.940 500 T CA -1.037 61.010 62.100 -0.088 0.000 1.013 500 T CB 1.070 69.883 68.868 -0.092 0.000 0.912 500 T HN 0.205 nan 8.240 nan 0.000 0.484 501 P HA 0.260 nan 4.420 nan 0.000 0.269 501 P C 1.100 178.317 177.300 -0.138 0.000 1.215 501 P CA 0.211 63.231 63.100 -0.134 0.000 0.780 501 P CB 0.362 32.006 31.700 -0.093 0.000 0.898 502 G N 0.745 109.453 108.800 -0.153 0.000 2.189 502 G HA2 -0.300 3.660 3.960 0.000 0.000 0.267 502 G HA3 -0.300 3.660 3.960 0.000 0.000 0.267 502 G C 0.173 174.986 174.900 -0.145 0.000 0.975 502 G CA 0.477 45.503 45.100 -0.124 0.000 0.644 502 G HN 0.700 nan 8.290 nan 0.000 0.537 503 E N 1.079 121.153 120.200 -0.210 0.000 2.229 503 E HA 0.533 4.883 4.350 0.000 0.000 0.283 503 E C 0.732 177.165 176.600 -0.277 0.000 1.030 503 E CA 0.121 56.399 56.400 -0.205 0.000 0.836 503 E CB 0.595 30.175 29.700 -0.199 0.000 1.068 503 E HN 0.294 nan 8.360 nan 0.000 0.401 504 S N 4.112 119.722 115.700 -0.150 0.000 2.537 504 S HA 0.004 4.474 4.470 0.000 0.000 0.286 504 S C 0.640 175.180 174.600 -0.099 0.000 1.299 504 S CA -0.256 57.895 58.200 -0.082 0.000 1.067 504 S CB 0.170 63.376 63.200 0.010 0.000 0.864 504 S HN 0.595 nan 8.310 nan 0.000 0.494 505 F N 2.539 122.478 119.950 -0.019 0.000 2.216 505 F HA -0.064 4.463 4.527 0.000 0.000 0.300 505 F C 2.607 178.405 175.800 -0.004 0.000 1.085 505 F CA 0.836 58.825 58.000 -0.019 0.000 1.326 505 F CB -0.180 38.807 39.000 -0.022 0.000 1.027 505 F HN 0.548 nan 8.300 nan 0.000 0.497 506 Q N -0.268 119.664 119.800 0.220 0.000 2.170 506 Q HA -0.137 4.203 4.340 0.000 0.000 0.203 506 Q C 2.152 178.228 176.000 0.127 0.000 0.976 506 Q CA 2.104 58.028 55.803 0.201 0.000 0.858 506 Q CB -1.125 27.747 28.738 0.224 0.000 0.907 506 Q HN 0.527 nan 8.270 nan 0.000 0.433 507 T N -4.416 110.182 114.554 0.074 0.000 2.985 507 T HA 0.114 4.464 4.350 0.000 0.000 0.254 507 T C 1.012 175.711 174.700 -0.002 0.000 1.021 507 T CA 0.003 62.129 62.100 0.044 0.000 0.957 507 T CB 0.181 69.077 68.868 0.046 0.000 1.047 507 T HN -0.045 nan 8.240 nan 0.000 0.511 508 T N 2.464 117.002 114.554 -0.026 0.000 2.937 508 T HA 0.101 4.451 4.350 0.000 0.000 0.316 508 T C 0.018 174.694 174.700 -0.040 0.000 1.079 508 T CA -0.104 61.962 62.100 -0.055 0.000 1.131 508 T CB 0.344 69.141 68.868 -0.118 0.000 1.000 508 T HN 0.491 nan 8.240 nan 0.000 0.549 509 E N 2.720 122.898 120.200 -0.036 0.000 2.414 509 E HA 0.020 4.370 4.350 0.000 0.000 0.263 509 E C -0.115 176.474 176.600 -0.019 0.000 1.000 509 E CA -0.321 56.063 56.400 -0.027 0.000 0.914 509 E CB 0.356 30.043 29.700 -0.022 0.000 0.948 509 E HN 0.479 nan 8.360 nan 0.000 0.444 510 N N 2.291 120.980 118.700 -0.017 0.000 2.482 510 N HA 0.145 4.885 4.740 0.000 0.000 0.279 510 N C -1.040 174.486 175.510 0.027 0.000 1.182 510 N CA -0.499 52.554 53.050 0.005 0.000 0.969 510 N CB 1.023 39.502 38.487 -0.012 0.000 1.201 510 N HN 0.364 nan 8.380 nan 0.000 0.523 511 Q N 0.525 120.362 119.800 0.061 0.000 2.267 511 Q HA 0.484 4.824 4.340 0.000 0.000 0.255 511 Q C -0.280 175.808 176.000 0.146 0.000 0.923 511 Q CA -0.506 55.337 55.803 0.067 0.000 0.925 511 Q CB 1.122 29.851 28.738 -0.014 0.000 1.195 511 Q HN 0.639 nan 8.270 nan 0.000 0.417 512 A N 1.487 124.372 122.820 0.109 0.000 2.313 512 A HA 0.702 5.022 4.320 0.000 0.000 0.261 512 A C 0.792 178.475 177.584 0.165 0.000 1.090 512 A CA 0.737 52.832 52.037 0.098 0.000 0.807 512 A CB -0.039 18.983 19.000 0.037 0.000 1.055 512 A HN 0.917 nan 8.150 nan 0.000 0.492 513 G N -0.912 107.927 108.800 0.065 0.000 2.568 513 G HA2 0.504 4.464 3.960 0.000 0.000 0.222 513 G HA3 0.504 4.464 3.960 0.000 0.000 0.222 513 G C 1.187 175.895 174.900 -0.319 0.000 1.321 513 G CA 0.394 45.472 45.100 -0.037 0.000 0.893 513 G HN 3.086 nan 8.290 nan 0.000 0.569 514 G N -2.932 105.436 108.800 -0.720 0.000 2.804 514 G HA2 0.310 4.270 3.960 0.000 0.000 0.230 514 G HA3 0.310 4.270 3.960 0.000 0.000 0.230 514 G C 0.809 175.379 174.900 -0.550 0.000 1.386 514 G CA 1.730 46.055 45.100 -1.292 0.000 0.875 514 G HN 2.491 nan 8.290 nan 0.000 0.557 515 V N -3.728 115.945 119.914 -0.401 0.000 2.925 515 V HA 0.777 4.897 4.120 0.000 0.000 0.361 515 V C 0.969 177.012 176.094 -0.086 0.000 1.361 515 V CA 0.789 62.971 62.300 -0.196 0.000 1.184 515 V CB 0.152 31.880 31.823 -0.159 0.000 1.245 515 V HN 2.413 nan 8.190 nan 0.000 0.575 516 A N 0.659 123.440 122.820 -0.066 0.000 2.450 516 A HA 0.650 4.970 4.320 0.000 0.000 0.255 516 A C 0.173 177.780 177.584 0.039 0.000 1.096 516 A CA 0.235 52.291 52.037 0.030 0.000 0.778 516 A CB 0.106 19.140 19.000 0.057 0.000 1.031 516 A HN 0.738 nan 8.150 nan 0.000 0.494 517 E N 0.691 120.952 120.200 0.101 0.000 2.312 517 E HA 0.533 4.883 4.350 0.000 0.000 0.267 517 E C -1.001 175.658 176.600 0.099 0.000 0.894 517 E CA -0.603 55.860 56.400 0.105 0.000 0.773 517 E CB 2.115 31.924 29.700 0.183 0.000 1.241 517 E HN 0.541 nan 8.360 nan 0.000 0.432 518 S N 1.202 116.953 115.700 0.085 0.000 2.498 518 S HA 0.216 4.686 4.470 0.000 0.000 0.317 518 S C 0.526 175.186 174.600 0.100 0.000 1.090 518 S CA -0.638 57.615 58.200 0.088 0.000 1.089 518 S CB 1.160 64.439 63.200 0.130 0.000 0.997 518 S HN 0.336 nan 8.310 nan 0.000 0.470 519 V N 5.987 125.958 119.914 0.095 0.000 2.667 519 V HA -0.015 4.105 4.120 0.000 0.000 0.252 519 V C 1.780 177.921 176.094 0.078 0.000 1.065 519 V CA 1.621 63.981 62.300 0.100 0.000 1.083 519 V CB -1.023 30.873 31.823 0.120 0.000 0.692 519 V HN 0.927 nan 8.190 nan 0.000 0.468 520 F N 1.108 121.055 119.950 -0.005 0.000 2.075 520 F HA -0.184 4.343 4.527 0.000 0.000 0.297 520 F C 2.107 177.856 175.800 -0.085 0.000 1.113 520 F CA 1.906 59.873 58.000 -0.055 0.000 1.218 520 F CB -0.154 38.828 39.000 -0.030 0.000 0.984 520 F HN 0.061 nan 8.300 nan 0.000 0.472 521 I N 0.443 121.016 120.570 0.005 0.000 2.361 521 I HA -0.274 3.896 4.170 0.000 0.000 0.251 521 I C 2.689 178.739 176.117 -0.112 0.000 1.133 521 I CA 0.946 62.188 61.300 -0.096 0.000 1.413 521 I CB -1.078 36.978 38.000 0.093 0.000 1.073 521 I HN 0.288 nan 8.210 nan 0.000 0.424 522 A N 1.167 123.955 122.820 -0.054 0.000 1.883 522 A HA -0.211 4.110 4.320 0.000 0.000 0.217 522 A C 2.595 180.173 177.584 -0.010 0.000 1.186 522 A CA 2.113 54.152 52.037 0.004 0.000 0.624 522 A CB -0.854 18.169 19.000 0.037 0.000 0.822 522 A HN 0.430 nan 8.150 nan 0.000 0.444 523 A N -1.118 121.617 122.820 -0.141 0.000 1.902 523 A HA -0.217 4.103 4.320 0.000 0.000 0.217 523 A C 2.212 179.693 177.584 -0.171 0.000 1.181 523 A CA 1.780 53.715 52.037 -0.170 0.000 0.623 523 A CB -0.634 18.236 19.000 -0.217 0.000 0.818 523 A HN 0.657 nan 8.150 nan 0.000 0.443 524 Q N -1.640 117.951 119.800 -0.347 0.000 2.135 524 Q HA -0.218 4.122 4.340 0.000 0.000 0.204 524 Q C 1.862 177.823 176.000 -0.066 0.000 0.981 524 Q CA 1.959 57.584 55.803 -0.297 0.000 0.856 524 Q CB -0.234 28.087 28.738 -0.695 0.000 0.902 524 Q HN 0.722 nan 8.270 nan 0.000 0.425 525 F N -0.201 119.669 119.950 -0.132 0.000 2.206 525 F HA -0.157 4.370 4.527 0.000 0.000 0.298 525 F C 1.898 177.709 175.800 0.019 0.000 1.090 525 F CA 0.930 58.915 58.000 -0.024 0.000 1.323 525 F CB 0.029 38.990 39.000 -0.065 0.000 1.028 525 F HN -0.120 nan 8.300 nan 0.000 0.492 526 V N 0.445 120.359 119.914 0.001 0.000 2.343 526 V HA -0.282 3.838 4.120 0.000 0.000 0.247 526 V C 2.252 178.247 176.094 -0.164 0.000 1.051 526 V CA 1.783 64.038 62.300 -0.076 0.000 1.036 526 V CB -0.729 31.083 31.823 -0.019 0.000 0.654 526 V HN 0.405 nan 8.190 nan 0.000 0.451 527 L N -0.680 120.388 121.223 -0.258 0.000 1.988 527 L HA -0.114 4.226 4.340 0.000 0.000 0.207 527 L C 2.193 178.879 176.870 -0.307 0.000 1.071 527 L CA 2.097 56.692 54.840 -0.409 0.000 0.744 527 L CB -0.615 40.972 42.059 -0.786 0.000 0.893 527 L HN 0.383 nan 8.230 nan 0.000 0.433 528 Y N -1.424 118.871 120.300 -0.009 0.000 2.503 528 Y HA 0.160 4.710 4.550 0.000 0.000 0.278 528 Y C 2.315 178.259 175.900 0.074 0.000 1.111 528 Y CA 0.260 58.398 58.100 0.064 0.000 1.270 528 Y CB -0.345 38.167 38.460 0.087 0.000 1.063 528 Y HN 0.256 nan 8.280 nan 0.000 0.548 529 G N 0.190 109.007 108.800 0.028 0.000 2.422 529 G HA2 -0.227 3.733 3.960 0.000 0.000 0.218 529 G HA3 -0.227 3.733 3.960 0.000 0.000 0.218 529 G C 1.847 176.806 174.900 0.098 0.000 1.140 529 G CA 0.868 45.986 45.100 0.029 0.000 0.775 529 G HN 0.422 nan 8.290 nan 0.000 0.545 530 A N 0.885 123.727 122.820 0.038 0.000 1.908 530 A HA -0.049 4.271 4.320 0.000 0.000 0.218 530 A C 2.262 179.925 177.584 0.132 0.000 1.181 530 A CA 1.960 54.040 52.037 0.071 0.000 0.627 530 A CB -0.249 18.777 19.000 0.044 0.000 0.818 530 A HN 0.284 nan 8.150 nan 0.000 0.445 531 E N -1.194 119.134 120.200 0.213 0.000 2.072 531 E HA -0.168 4.183 4.350 0.000 0.000 0.191 531 E C 1.803 178.547 176.600 0.239 0.000 0.985 531 E CA 1.363 57.937 56.400 0.289 0.000 0.801 531 E CB -0.683 29.255 29.700 0.397 0.000 0.750 531 E HN 0.805 nan 8.360 nan 0.000 0.452 532 Y N 1.748 122.118 120.300 0.116 0.000 2.128 532 Y HA -0.254 4.296 4.550 0.000 0.000 0.284 532 Y C 2.292 178.176 175.900 -0.027 0.000 1.154 532 Y CA 1.861 59.982 58.100 0.034 0.000 1.149 532 Y CB -0.479 37.917 38.460 -0.107 0.000 0.976 532 Y HN 0.019 nan 8.280 nan 0.000 0.505 533 A N -0.519 122.238 122.820 -0.104 0.000 1.917 533 A HA -0.250 4.070 4.320 0.000 0.000 0.219 533 A C 2.243 179.739 177.584 -0.147 0.000 1.182 533 A CA 2.523 54.466 52.037 -0.157 0.000 0.633 533 A CB -1.436 17.549 19.000 -0.025 0.000 0.819 533 A HN 0.548 nan 8.150 nan 0.000 0.448 534 T N 0.519 115.031 114.554 -0.071 0.000 2.708 534 T HA -0.094 4.256 4.350 0.000 0.000 0.266 534 T C 1.829 176.438 174.700 -0.151 0.000 1.037 534 T CA 1.485 63.525 62.100 -0.100 0.000 1.146 534 T CB -0.435 68.394 68.868 -0.064 0.000 0.865 534 T HN 0.394 nan 8.240 nan 0.000 0.435 535 L N 0.904 122.077 121.223 -0.083 0.000 2.012 535 L HA -0.158 4.182 4.340 0.000 0.000 0.210 535 L C 3.112 179.885 176.870 -0.161 0.000 1.073 535 L CA 1.406 56.258 54.840 0.021 0.000 0.748 535 L CB -0.875 41.324 42.059 0.234 0.000 0.891 535 L HN 0.253 nan 8.230 nan 0.000 0.431 536 A N -0.053 122.625 122.820 -0.237 0.000 1.892 536 A HA -0.279 4.041 4.320 0.000 0.000 0.218 536 A C 2.215 179.634 177.584 -0.275 0.000 1.188 536 A CA 2.111 53.954 52.037 -0.323 0.000 0.631 536 A CB -0.517 18.316 19.000 -0.279 0.000 0.822 536 A HN 0.388 nan 8.150 nan 0.000 0.447 537 E N 0.044 120.116 120.200 -0.212 0.000 2.077 537 E HA -0.146 4.204 4.350 0.000 0.000 0.193 537 E C 2.180 178.646 176.600 -0.224 0.000 0.989 537 E CA 1.129 57.421 56.400 -0.180 0.000 0.800 537 E CB -0.235 29.383 29.700 -0.137 0.000 0.746 537 E HN 0.444 nan 8.360 nan 0.000 0.452 538 R N 0.069 120.407 120.500 -0.270 0.000 2.127 538 R HA -0.032 4.309 4.340 0.000 0.000 0.238 538 R C 2.088 178.176 176.300 -0.354 0.000 1.134 538 R CA 0.952 56.828 56.100 -0.374 0.000 0.975 538 R CB -0.415 29.563 30.300 -0.536 0.000 0.865 538 R HN 0.184 nan 8.270 nan 0.000 0.447 539 R N -0.099 120.195 120.500 -0.344 0.000 2.313 539 R HA 0.029 4.369 4.340 0.000 0.000 0.199 539 R C 0.653 176.797 176.300 -0.260 0.000 0.958 539 R CA 0.555 56.445 56.100 -0.349 0.000 1.047 539 R CB 0.147 30.094 30.300 -0.589 0.000 0.955 539 R HN 0.400 nan 8.270 nan 0.000 0.481 540 G N 1.158 109.827 108.800 -0.218 0.000 2.147 540 G HA2 -0.253 3.707 3.960 0.000 0.000 0.244 540 G HA3 -0.253 3.707 3.960 0.000 0.000 0.244 540 G C 0.064 174.891 174.900 -0.123 0.000 1.005 540 G CA -0.223 44.786 45.100 -0.151 0.000 0.713 540 G HN 0.266 nan 8.290 nan 0.000 0.515 541 L N 0.347 121.483 121.223 -0.145 0.000 2.512 541 L HA 0.515 4.855 4.340 0.000 0.000 0.247 541 L C 1.961 178.797 176.870 -0.057 0.000 1.204 541 L CA -0.018 54.771 54.840 -0.085 0.000 1.153 541 L CB 0.322 42.331 42.059 -0.083 0.000 1.415 541 L HN 0.260 nan 8.230 nan 0.000 0.406 542 A N 0.609 123.401 122.820 -0.047 0.000 1.902 542 A HA -0.169 4.151 4.320 0.000 0.000 0.217 542 A C 1.779 179.355 177.584 -0.014 0.000 1.181 542 A CA 1.562 53.575 52.037 -0.039 0.000 0.623 542 A CB -0.098 18.881 19.000 -0.035 0.000 0.818 542 A HN 0.550 nan 8.150 nan 0.000 0.443 543 D N -0.411 119.993 120.400 0.006 0.000 2.149 543 D HA -0.053 4.587 4.640 0.000 0.000 0.201 543 D C 2.074 178.406 176.300 0.054 0.000 0.972 543 D CA 1.180 55.196 54.000 0.027 0.000 0.835 543 D CB -0.441 40.380 40.800 0.035 0.000 0.966 543 D HN 0.197 nan 8.370 nan 0.000 0.476 544 V N 1.597 121.555 119.914 0.074 0.000 2.332 544 V HA -0.246 3.874 4.120 0.000 0.000 0.248 544 V C 2.519 178.669 176.094 0.092 0.000 1.055 544 V CA 1.872 64.251 62.300 0.132 0.000 1.038 544 V CB -0.725 31.202 31.823 0.174 0.000 0.651 544 V HN 0.181 nan 8.190 nan 0.000 0.450 545 A N -0.526 122.302 122.820 0.013 0.000 1.898 545 A HA -0.194 4.126 4.320 0.000 0.000 0.216 545 A C 2.400 179.988 177.584 0.008 0.000 1.181 545 A CA 2.314 54.333 52.037 -0.031 0.000 0.620 545 A CB -0.942 18.014 19.000 -0.075 0.000 0.819 545 A HN 0.489 nan 8.150 nan 0.000 0.442 546 T N -0.299 114.261 114.554 0.010 0.000 2.652 546 T HA -0.204 4.146 4.350 0.000 0.000 0.267 546 T C 1.879 176.587 174.700 0.012 0.000 1.039 546 T CA 1.690 63.795 62.100 0.009 0.000 1.153 546 T CB -0.305 68.564 68.868 0.001 0.000 0.863 546 T HN 0.729 nan 8.240 nan 0.000 0.428 547 E N 0.933 121.148 120.200 0.025 0.000 2.085 547 E HA -0.180 4.170 4.350 0.000 0.000 0.194 547 E C 2.351 178.997 176.600 0.076 0.000 0.994 547 E CA 1.184 57.573 56.400 -0.017 0.000 0.801 547 E CB -0.246 29.506 29.700 0.087 0.000 0.743 547 E HN 0.487 nan 8.360 nan 0.000 0.453 548 A N 1.220 124.182 122.820 0.236 0.000 1.898 548 A HA -0.155 4.165 4.320 0.000 0.000 0.216 548 A C 2.179 179.969 177.584 0.344 0.000 1.181 548 A CA 1.441 53.719 52.037 0.402 0.000 0.620 548 A CB -0.457 18.545 19.000 0.003 0.000 0.819 548 A HN 0.206 nan 8.150 nan 0.000 0.442 549 R N -0.366 120.226 120.500 0.154 0.000 2.105 549 R HA -0.147 4.193 4.340 0.000 0.000 0.239 549 R C 2.358 178.734 176.300 0.127 0.000 1.135 549 R CA 1.600 57.771 56.100 0.119 0.000 0.967 549 R CB -0.299 30.035 30.300 0.057 0.000 0.861 549 R HN 0.615 nan 8.270 nan 0.000 0.442 550 K N 0.405 120.844 120.400 0.065 0.000 2.026 550 K HA -0.183 4.138 4.320 0.000 0.000 0.208 550 K C 1.803 178.465 176.600 0.103 0.000 1.048 550 K CA 1.564 57.854 56.287 0.005 0.000 0.929 550 K CB -0.135 32.276 32.500 -0.148 0.000 0.713 550 K HN 0.240 nan 8.250 nan 0.000 0.439 551 Y N 0.397 120.867 120.300 0.284 0.000 2.200 551 Y HA -0.210 4.340 4.550 0.000 0.000 0.290 551 Y C 2.373 178.538 175.900 0.442 0.000 1.137 551 Y CA 0.619 58.923 58.100 0.339 0.000 1.163 551 Y CB 0.015 38.746 38.460 0.453 0.000 0.988 551 Y HN -0.137 nan 8.280 nan 0.000 0.518 552 V N 0.291 120.543 119.914 0.563 0.000 2.287 552 V HA -0.338 3.782 4.120 0.000 0.000 0.248 552 V C 1.720 177.970 176.094 0.260 0.000 1.053 552 V CA 2.169 64.670 62.300 0.336 0.000 1.027 552 V CB -0.547 31.359 31.823 0.139 0.000 0.646 552 V HN 0.414 nan 8.190 nan 0.000 0.447 553 D N -0.409 120.110 120.400 0.199 0.000 2.149 553 D HA -0.165 4.475 4.640 0.000 0.000 0.198 553 D C 2.241 178.631 176.300 0.149 0.000 0.990 553 D CA 1.270 55.352 54.000 0.137 0.000 0.839 553 D CB -0.161 40.696 40.800 0.095 0.000 0.948 553 D HN 0.578 nan 8.370 nan 0.000 0.460 554 E N 0.002 120.316 120.200 0.190 0.000 2.051 554 E HA -0.111 4.239 4.350 0.000 0.000 0.192 554 E C 2.256 178.958 176.600 0.171 0.000 0.991 554 E CA 0.666 57.169 56.400 0.171 0.000 0.799 554 E CB 0.134 29.956 29.700 0.203 0.000 0.748 554 E HN 0.075 nan 8.360 nan 0.000 0.449 555 V N 1.185 121.233 119.914 0.223 0.000 2.427 555 V HA -0.221 3.899 4.120 0.000 0.000 0.248 555 V C 2.408 178.605 176.094 0.173 0.000 1.051 555 V CA 1.662 64.077 62.300 0.192 0.000 1.048 555 V CB -0.490 31.496 31.823 0.273 0.000 0.666 555 V HN 0.218 nan 8.190 nan 0.000 0.456 556 R N 0.595 121.195 120.500 0.167 0.000 2.083 556 R HA -0.184 4.156 4.340 0.000 0.000 0.237 556 R C 2.246 178.610 176.300 0.106 0.000 1.137 556 R CA 1.860 58.028 56.100 0.114 0.000 0.951 556 R CB -0.420 29.932 30.300 0.087 0.000 0.851 556 R HN 0.467 nan 8.270 nan 0.000 0.434 557 A N 0.632 123.513 122.820 0.102 0.000 1.930 557 A HA -0.020 4.300 4.320 0.000 0.000 0.217 557 A C 2.341 179.979 177.584 0.090 0.000 1.175 557 A CA 1.418 53.501 52.037 0.077 0.000 0.627 557 A CB -0.613 18.425 19.000 0.064 0.000 0.815 557 A HN 0.550 nan 8.150 nan 0.000 0.443 558 A N -0.379 122.524 122.820 0.138 0.000 1.933 558 A HA -0.026 4.294 4.320 0.000 0.000 0.218 558 A C 2.191 179.905 177.584 0.218 0.000 1.175 558 A CA 1.782 53.945 52.037 0.211 0.000 0.628 558 A CB -0.902 18.240 19.000 0.237 0.000 0.814 558 A HN 0.386 nan 8.150 nan 0.000 0.444 559 V N -0.209 119.821 119.914 0.193 0.000 2.332 559 V HA -0.255 3.865 4.120 0.000 0.000 0.248 559 V C 2.497 178.771 176.094 0.301 0.000 1.055 559 V CA 2.010 64.457 62.300 0.246 0.000 1.038 559 V CB -0.646 31.290 31.823 0.188 0.000 0.651 559 V HN 0.576 nan 8.190 nan 0.000 0.450 560 L N -0.621 120.720 121.223 0.196 0.000 2.240 560 L HA -0.082 4.258 4.340 0.000 0.000 0.211 560 L C 2.516 179.423 176.870 0.063 0.000 1.106 560 L CA 1.356 56.272 54.840 0.128 0.000 0.793 560 L CB -0.224 41.849 42.059 0.024 0.000 0.927 560 L HN 0.407 nan 8.230 nan 0.000 0.446 561 E N -1.155 119.038 120.200 -0.013 0.000 2.140 561 E HA -0.122 4.228 4.350 0.000 0.000 0.191 561 E C 1.354 177.788 176.600 -0.276 0.000 0.973 561 E CA 0.622 56.897 56.400 -0.209 0.000 0.829 561 E CB 0.373 29.823 29.700 -0.418 0.000 0.781 561 E HN 0.524 nan 8.360 nan 0.000 0.466 562 H N -2.322 116.855 119.070 0.178 0.000 3.058 562 H HA 0.262 4.818 4.556 0.000 0.000 0.266 562 H C 0.875 176.329 175.328 0.210 0.000 1.135 562 H CA 0.667 56.813 56.048 0.163 0.000 1.174 562 H CB 1.476 31.310 29.762 0.120 0.000 1.581 562 H HN 0.159 nan 8.280 nan 0.000 0.553 563 G N -0.503 108.500 108.800 0.338 0.000 3.774 563 G HA2 0.036 3.996 3.960 0.000 0.000 0.287 563 G HA3 0.036 3.996 3.960 0.000 0.000 0.287 563 G C -0.475 174.666 174.900 0.401 0.000 1.030 563 G CA -0.191 45.115 45.100 0.343 0.000 0.824 563 G HN 0.178 nan 8.290 nan 0.000 0.518 564 W N 1.144 122.480 121.300 0.060 0.000 2.532 564 W HA 0.396 5.056 4.660 0.000 0.000 0.321 564 W C -0.905 175.526 176.519 -0.146 0.000 1.037 564 W CA -0.701 56.587 57.345 -0.095 0.000 1.220 564 W CB 2.185 31.554 29.460 -0.152 0.000 1.361 564 W HN 0.137 nan 8.180 nan 0.000 0.468 565 D N 2.275 122.069 120.400 -1.010 0.000 2.354 565 D HA 0.204 4.844 4.640 0.000 0.000 0.209 565 D C 1.570 177.223 176.300 -1.080 0.000 1.015 565 D CA 1.586 55.045 54.000 -0.901 0.000 0.867 565 D CB 0.490 40.721 40.800 -0.948 0.000 0.933 565 D HN 0.736 nan 8.370 nan 0.000 0.520 566 G N -0.223 107.589 108.800 -1.646 0.000 2.697 566 G HA2 -0.207 3.753 3.960 0.000 0.000 0.200 566 G HA3 -0.207 3.753 3.960 0.000 0.000 0.200 566 G C 0.907 175.427 174.900 -0.634 0.000 1.106 566 G CA 0.086 44.697 45.100 -0.814 0.000 0.748 566 G HN 0.239 nan 8.290 nan 0.000 0.503 567 Q N -0.693 118.497 119.800 -1.016 0.000 2.164 567 Q HA 0.337 4.677 4.340 0.000 0.000 0.226 567 Q C -0.020 175.734 176.000 -0.410 0.000 0.813 567 Q CA 0.695 56.213 55.803 -0.476 0.000 0.978 567 Q CB 1.456 30.059 28.738 -0.224 0.000 1.149 567 Q HN 0.878 nan 8.270 nan 0.000 0.489 568 W N -1.778 118.862 121.300 -1.100 0.000 2.982 568 W HA 0.570 5.230 4.660 0.000 0.000 0.344 568 W C -1.459 174.506 176.519 -0.925 0.000 1.215 568 W CA -1.470 55.454 57.345 -0.701 0.000 1.182 568 W CB -0.356 28.997 29.460 -0.178 0.000 1.437 568 W HN -0.223 nan 8.180 nan 0.000 0.570 569 F N 3.030 123.123 119.950 0.239 0.000 2.484 569 F HA 0.335 4.862 4.527 0.000 0.000 0.360 569 F C 1.278 177.229 175.800 0.251 0.000 1.101 569 F CA -0.114 58.052 58.000 0.275 0.000 1.251 569 F CB 0.243 39.453 39.000 0.350 0.000 1.132 569 F HN 0.058 nan 8.300 nan 0.000 0.570 570 L N 3.081 124.455 121.223 0.252 0.000 2.492 570 L HA 0.033 4.373 4.340 0.000 0.000 0.280 570 L C 1.653 178.585 176.870 0.104 0.000 1.240 570 L CA -0.110 54.797 54.840 0.111 0.000 0.831 570 L CB 0.365 42.362 42.059 -0.103 0.000 1.100 570 L HN 0.617 nan 8.230 nan 0.000 0.505 571 R N 1.296 121.752 120.500 -0.074 0.000 2.128 571 R HA 0.348 4.688 4.340 0.000 0.000 0.211 571 R C -0.266 175.904 176.300 -0.217 0.000 1.067 571 R CA 1.043 57.023 56.100 -0.199 0.000 1.010 571 R CB 0.327 30.208 30.300 -0.699 0.000 0.922 571 R HN 0.784 nan 8.270 nan 0.000 0.457 572 A N -2.080 120.561 122.820 -0.299 0.000 2.515 572 A HA 0.496 4.816 4.320 0.000 0.000 0.292 572 A C -1.879 175.476 177.584 -0.381 0.000 1.065 572 A CA -0.743 51.157 52.037 -0.229 0.000 0.641 572 A CB 0.213 19.078 19.000 -0.225 0.000 1.306 572 A HN 0.111 nan 8.150 nan 0.000 0.441 573 Y N 1.392 121.658 120.300 -0.056 0.000 2.352 573 Y HA 0.461 5.011 4.550 0.000 0.000 0.339 573 Y C 0.540 176.426 175.900 -0.023 0.000 0.992 573 Y CA -0.281 57.806 58.100 -0.021 0.000 1.100 573 Y CB 1.577 40.057 38.460 0.033 0.000 1.192 573 Y HN 0.906 nan 8.280 nan 0.000 0.458 574 D N 0.483 120.951 120.400 0.113 0.000 2.440 574 D HA -0.086 4.554 4.640 0.000 0.000 0.269 574 D C 1.006 177.354 176.300 0.080 0.000 1.249 574 D CA -0.264 53.754 54.000 0.029 0.000 1.055 574 D CB 0.074 40.840 40.800 -0.057 0.000 1.104 574 D HN 0.604 nan 8.370 nan 0.000 0.561 575 Y N -0.930 119.293 120.300 -0.129 0.000 2.315 575 Y HA -0.211 4.339 4.550 0.000 0.000 0.288 575 Y C 1.087 177.026 175.900 0.066 0.000 1.154 575 Y CA 1.465 59.537 58.100 -0.047 0.000 1.229 575 Y CB -0.052 38.417 38.460 0.016 0.000 0.980 575 Y HN 0.308 nan 8.280 nan 0.000 0.540 576 Y N -0.910 119.547 120.300 0.261 0.000 2.482 576 Y HA 0.329 4.879 4.550 0.000 0.000 0.270 576 Y C 1.948 177.903 175.900 0.092 0.000 1.152 576 Y CA -0.167 58.024 58.100 0.152 0.000 1.292 576 Y CB -0.107 38.457 38.460 0.174 0.000 1.070 576 Y HN 0.132 nan 8.280 nan 0.000 0.528 577 G N 0.367 109.317 108.800 0.250 0.000 2.157 577 G HA2 -0.272 3.688 3.960 0.000 0.000 0.239 577 G HA3 -0.272 3.688 3.960 0.000 0.000 0.239 577 G C -0.106 175.017 174.900 0.371 0.000 0.982 577 G CA -0.156 45.084 45.100 0.233 0.000 0.650 577 G HN 0.449 nan 8.290 nan 0.000 0.527 578 N N 2.173 121.080 118.700 0.344 0.000 2.498 578 N HA 0.517 5.257 4.740 0.000 0.000 0.287 578 N C -2.375 173.254 175.510 0.198 0.000 1.097 578 N CA -1.441 51.783 53.050 0.291 0.000 0.973 578 N CB 1.661 40.295 38.487 0.245 0.000 1.153 578 N HN 0.094 nan 8.380 nan 0.000 0.472 579 P HA 0.032 nan 4.420 nan 0.000 0.271 579 P C -0.843 176.363 177.300 -0.156 0.000 1.216 579 P CA -0.026 62.901 63.100 -0.287 0.000 0.776 579 P CB 0.916 32.474 31.700 -0.237 0.000 0.881 580 V N 1.888 121.650 119.914 -0.253 0.000 2.555 580 V HA 0.625 4.745 4.120 0.000 0.000 0.302 580 V C 1.015 176.992 176.094 -0.195 0.000 1.038 580 V CA 0.254 62.447 62.300 -0.178 0.000 0.887 580 V CB 0.894 32.533 31.823 -0.307 0.000 0.991 580 V HN 0.946 nan 8.190 nan 0.000 0.434 581 G N 2.693 111.509 108.800 0.026 0.000 2.248 581 G HA2 -0.184 3.776 3.960 0.000 0.000 0.252 581 G HA3 -0.184 3.776 3.960 0.000 0.000 0.252 581 G C 0.037 175.147 174.900 0.349 0.000 1.085 581 G CA 0.307 45.541 45.100 0.223 0.000 0.845 581 G HN 1.036 nan 8.290 nan 0.000 0.494 582 T N -1.359 113.355 114.554 0.266 0.000 2.856 582 T HA 0.517 4.867 4.350 0.000 0.000 0.283 582 T C 1.071 175.942 174.700 0.284 0.000 1.008 582 T CA 0.274 62.499 62.100 0.208 0.000 0.997 582 T CB 1.512 70.399 68.868 0.031 0.000 0.992 582 T HN 0.036 nan 8.240 nan 0.000 0.454 583 D N 2.871 123.418 120.400 0.244 0.000 2.351 583 D HA 0.020 4.660 4.640 0.000 0.000 0.216 583 D C 1.928 178.286 176.300 0.096 0.000 0.968 583 D CA 1.194 55.333 54.000 0.231 0.000 0.899 583 D CB -0.093 40.721 40.800 0.023 0.000 0.907 583 D HN 0.660 nan 8.370 nan 0.000 0.514 584 A N -0.368 122.482 122.820 0.049 0.000 2.121 584 A HA -0.070 4.250 4.320 0.000 0.000 0.218 584 A C 1.097 178.719 177.584 0.064 0.000 1.154 584 A CA 0.820 52.881 52.037 0.040 0.000 0.679 584 A CB 0.003 19.018 19.000 0.026 0.000 0.795 584 A HN -0.057 nan 8.150 nan 0.000 0.458 585 K N -0.669 119.785 120.400 0.090 0.000 2.118 585 K HA 0.351 4.671 4.320 0.000 0.000 0.254 585 K C -2.056 174.581 176.600 0.062 0.000 0.961 585 K CA -2.455 53.886 56.287 0.091 0.000 0.876 585 K CB 1.168 33.749 32.500 0.134 0.000 1.077 585 K HN -0.053 nan 8.250 nan 0.000 0.440 586 P HA -0.043 nan 4.420 nan 0.000 0.220 586 P C -0.509 176.729 177.300 -0.103 0.000 1.152 586 P CA 1.086 64.178 63.100 -0.013 0.000 0.812 586 P CB 0.755 32.454 31.700 -0.001 0.000 0.792 587 E N -1.693 118.432 120.200 -0.125 0.000 2.343 587 E HA 0.479 4.829 4.350 0.000 0.000 0.270 587 E C -0.112 176.208 176.600 -0.466 0.000 0.895 587 E CA -0.845 55.332 56.400 -0.373 0.000 0.767 587 E CB 1.487 30.950 29.700 -0.395 0.000 1.248 587 E HN 0.004 nan 8.360 nan 0.000 0.440 588 G N 1.992 110.344 108.800 -0.747 0.000 2.295 588 G HA2 -0.353 3.607 3.960 0.000 0.000 0.287 588 G HA3 -0.353 3.607 3.960 0.000 0.000 0.287 588 G C 0.635 175.574 174.900 0.065 0.000 1.055 588 G CA 0.928 45.754 45.100 -0.457 0.000 0.922 588 G HN 0.514 nan 8.290 nan 0.000 0.503 589 K N -0.981 119.386 120.400 -0.056 0.000 2.057 589 K HA 0.164 4.484 4.320 0.000 0.000 0.206 589 K C 1.347 177.994 176.600 0.078 0.000 1.050 589 K CA 1.286 57.650 56.287 0.128 0.000 0.935 589 K CB 0.367 32.918 32.500 0.086 0.000 0.715 589 K HN 0.593 nan 8.250 nan 0.000 0.439 590 I N 0.215 120.602 120.570 -0.305 0.000 2.533 590 I HA 0.225 4.395 4.170 0.000 0.000 0.290 590 I C -1.752 174.289 176.117 -0.127 0.000 1.056 590 I CA -0.966 59.979 61.300 -0.592 0.000 1.057 590 I CB 1.173 38.296 38.000 -1.462 0.000 1.240 590 I HN -0.005 nan 8.210 nan 0.000 0.423 591 W N 6.930 128.118 121.300 -0.187 0.000 2.573 591 W HA 0.453 5.113 4.660 0.000 0.000 0.326 591 W C 0.865 177.376 176.519 -0.014 0.000 1.049 591 W CA -0.474 56.840 57.345 -0.052 0.000 1.220 591 W CB 1.488 30.971 29.460 0.038 0.000 1.373 591 W HN 0.385 nan 8.180 nan 0.000 0.507 592 I N 1.763 122.444 120.570 0.185 0.000 2.439 592 I HA -0.245 3.925 4.170 0.000 0.000 0.251 592 I C 1.475 177.725 176.117 0.222 0.000 1.139 592 I CA 1.532 62.906 61.300 0.124 0.000 1.438 592 I CB 0.283 38.289 38.000 0.010 0.000 1.085 592 I HN 0.526 nan 8.210 nan 0.000 0.427 593 E N 1.476 121.849 120.200 0.288 0.000 2.031 593 E HA -0.191 4.159 4.350 0.000 0.000 0.193 593 E C -0.850 176.009 176.600 0.431 0.000 0.994 593 E CA 1.726 58.355 56.400 0.381 0.000 0.800 593 E CB -1.485 28.400 29.700 0.308 0.000 0.752 593 E HN 0.501 nan 8.360 nan 0.000 0.447 594 P HA -0.115 nan 4.420 nan 0.000 0.223 594 P C 0.836 178.213 177.300 0.128 0.000 1.151 594 P CA 1.108 64.338 63.100 0.217 0.000 0.787 594 P CB 0.217 32.044 31.700 0.212 0.000 0.788 595 Q N 0.187 120.153 119.800 0.277 0.000 2.050 595 Q HA -0.070 4.270 4.340 0.000 0.000 0.202 595 Q C 2.511 178.634 176.000 0.205 0.000 0.980 595 Q CA 2.143 58.148 55.803 0.336 0.000 0.840 595 Q CB -1.829 27.101 28.738 0.319 0.000 0.898 595 Q HN 0.301 nan 8.270 nan 0.000 0.424 596 G N -0.427 108.506 108.800 0.222 0.000 2.394 596 G HA2 -0.184 3.776 3.960 0.000 0.000 0.214 596 G HA3 -0.184 3.776 3.960 0.000 0.000 0.214 596 G C 1.318 176.260 174.900 0.069 0.000 1.176 596 G CA 0.151 45.370 45.100 0.199 0.000 0.786 596 G HN 0.253 nan 8.290 nan 0.000 0.533 597 F N 1.680 121.560 119.950 -0.117 0.000 2.186 597 F HA 0.099 4.626 4.527 0.000 0.000 0.299 597 F C 3.002 178.576 175.800 -0.376 0.000 1.090 597 F CA 0.962 58.736 58.000 -0.375 0.000 1.307 597 F CB 0.141 38.789 39.000 -0.586 0.000 1.019 597 F HN 0.234 nan 8.300 nan 0.000 0.489 598 A N -0.454 122.216 122.820 -0.251 0.000 1.877 598 A HA -0.151 4.169 4.320 0.000 0.000 0.216 598 A C 2.228 179.624 177.584 -0.314 0.000 1.186 598 A CA 1.942 53.707 52.037 -0.454 0.000 0.620 598 A CB -1.199 17.122 19.000 -1.131 0.000 0.822 598 A HN 0.175 nan 8.150 nan 0.000 0.443 599 V N -0.136 119.658 119.914 -0.199 0.000 2.427 599 V HA -0.294 3.826 4.120 0.000 0.000 0.248 599 V C 2.595 178.608 176.094 -0.135 0.000 1.051 599 V CA 2.075 64.335 62.300 -0.065 0.000 1.048 599 V CB -0.769 31.095 31.823 0.069 0.000 0.666 599 V HN 0.558 nan 8.190 nan 0.000 0.456 600 M N 0.257 119.710 119.600 -0.245 0.000 2.149 600 M HA -0.162 4.318 4.480 0.000 0.000 0.261 600 M C 2.085 178.190 176.300 -0.325 0.000 1.064 600 M CA 2.109 57.201 55.300 -0.348 0.000 1.102 600 M CB -0.499 31.731 32.600 -0.617 0.000 1.369 600 M HN 0.378 nan 8.290 nan 0.000 0.408 601 A N -0.358 122.257 122.820 -0.342 0.000 2.235 601 A HA 0.326 4.646 4.320 0.000 0.000 0.208 601 A C 1.644 179.143 177.584 -0.142 0.000 1.172 601 A CA 0.839 52.720 52.037 -0.259 0.000 0.786 601 A CB -0.953 17.889 19.000 -0.263 0.000 0.804 601 A HN 0.699 nan 8.150 nan 0.000 0.479 602 G N -0.930 107.805 108.800 -0.109 0.000 2.159 602 G HA2 -0.230 3.730 3.960 0.000 0.000 0.256 602 G HA3 -0.230 3.730 3.960 0.000 0.000 0.256 602 G C 0.134 175.024 174.900 -0.017 0.000 0.977 602 G CA 0.199 45.271 45.100 -0.047 0.000 0.652 602 G HN 0.502 nan 8.290 nan 0.000 0.531 603 I N 1.012 121.568 120.570 -0.024 0.000 2.452 603 I HA 0.408 4.578 4.170 0.000 0.000 0.287 603 I C 1.667 177.871 176.117 0.144 0.000 1.079 603 I CA 1.252 62.575 61.300 0.039 0.000 1.387 603 I CB 0.724 38.721 38.000 -0.005 0.000 1.404 603 I HN 0.810 nan 8.210 nan 0.000 0.522 604 G N 4.308 113.157 108.800 0.082 0.000 2.159 604 G HA2 -0.213 3.747 3.960 0.000 0.000 0.256 604 G HA3 -0.213 3.747 3.960 0.000 0.000 0.256 604 G C 0.120 175.023 174.900 0.006 0.000 0.977 604 G CA -0.285 44.826 45.100 0.019 0.000 0.652 604 G HN 0.446 nan 8.290 nan 0.000 0.531 605 V N 0.874 120.801 119.914 0.022 0.000 2.555 605 V HA 0.599 4.720 4.120 0.000 0.000 0.286 605 V C 1.440 177.531 176.094 -0.004 0.000 1.044 605 V CA 0.711 63.022 62.300 0.018 0.000 1.026 605 V CB 1.033 32.867 31.823 0.019 0.000 0.981 605 V HN 0.594 nan 8.190 nan 0.000 0.480 606 G N 3.030 111.827 108.800 -0.004 0.000 3.227 606 G HA2 0.262 4.222 3.960 0.000 0.000 0.171 606 G HA3 0.262 4.222 3.960 0.000 0.000 0.171 606 G C 0.512 175.410 174.900 -0.003 0.000 1.463 606 G CA -0.161 44.932 45.100 -0.012 0.000 1.016 606 G HN 0.622 nan 8.290 nan 0.000 0.594 607 E N -0.224 119.975 120.200 -0.002 0.000 2.447 607 E HA 0.321 4.671 4.350 0.000 0.000 0.195 607 E C 0.801 177.405 176.600 0.006 0.000 1.028 607 E CA 0.479 56.879 56.400 0.001 0.000 0.876 607 E CB 0.692 30.391 29.700 -0.001 0.000 0.885 607 E HN 0.557 nan 8.360 nan 0.000 0.500 608 G N 1.092 109.898 108.800 0.010 0.000 2.339 608 G HA2 -0.029 3.931 3.960 0.000 0.000 0.302 608 G HA3 -0.029 3.931 3.960 0.000 0.000 0.302 608 G C -2.616 172.295 174.900 0.019 0.000 1.425 608 G CA -0.853 44.255 45.100 0.014 0.000 0.899 608 G HN -0.298 nan 8.290 nan 0.000 0.619 609 P HA -0.016 nan 4.420 nan 0.000 0.219 609 P C 0.786 178.102 177.300 0.026 0.000 1.146 609 P CA 1.790 64.906 63.100 0.027 0.000 0.808 609 P CB 0.066 31.780 31.700 0.023 0.000 0.779 610 D N -1.432 118.980 120.400 0.020 0.000 2.328 610 D HA -0.033 4.607 4.640 0.000 0.000 0.221 610 D C 0.211 176.521 176.300 0.017 0.000 1.072 610 D CA -0.066 53.945 54.000 0.018 0.000 0.850 610 D CB -0.905 39.903 40.800 0.013 0.000 0.922 610 D HN 0.028 nan 8.370 nan 0.000 0.516 611 D N 0.909 121.319 120.400 0.017 0.000 2.483 611 D HA 0.271 4.911 4.640 0.000 0.000 0.220 611 D C 1.228 177.539 176.300 0.018 0.000 1.173 611 D CA -0.294 53.713 54.000 0.012 0.000 0.964 611 D CB 0.708 41.512 40.800 0.006 0.000 1.046 611 D HN 0.083 nan 8.370 nan 0.000 0.517 612 A N 3.525 126.358 122.820 0.021 0.000 2.131 612 A HA -0.154 4.166 4.320 0.000 0.000 0.220 612 A C 1.581 179.182 177.584 0.028 0.000 1.158 612 A CA 1.021 53.076 52.037 0.031 0.000 0.665 612 A CB 0.038 19.056 19.000 0.030 0.000 0.795 612 A HN 0.496 nan 8.150 nan 0.000 0.460 613 D N -0.103 120.303 120.400 0.010 0.000 2.354 613 D HA 0.221 4.862 4.640 0.000 0.000 0.209 613 D C 0.863 177.140 176.300 -0.039 0.000 1.015 613 D CA 0.728 54.724 54.000 -0.007 0.000 0.867 613 D CB -0.071 40.719 40.800 -0.016 0.000 0.933 613 D HN 0.416 nan 8.370 nan 0.000 0.520 614 A N 2.034 124.835 122.820 -0.031 0.000 2.450 614 A HA 0.239 4.559 4.320 0.000 0.000 0.255 614 A C -1.422 176.103 177.584 -0.099 0.000 1.096 614 A CA -0.892 51.106 52.037 -0.066 0.000 0.778 614 A CB 0.660 19.647 19.000 -0.023 0.000 1.031 614 A HN -0.123 nan 8.150 nan 0.000 0.494 615 P HA -0.193 nan 4.420 nan 0.000 0.216 615 P C 1.695 178.937 177.300 -0.096 0.000 1.150 615 P CA 2.208 64.980 63.100 -0.547 0.000 0.837 615 P CB 0.157 31.134 31.700 -1.205 0.000 0.786 616 A N -0.629 122.215 122.820 0.039 0.000 1.908 616 A HA -0.181 4.139 4.320 0.000 0.000 0.218 616 A C 2.353 180.059 177.584 0.203 0.000 1.181 616 A CA 1.974 54.143 52.037 0.220 0.000 0.627 616 A CB -1.711 17.384 19.000 0.159 0.000 0.818 616 A HN 0.051 nan 8.150 nan 0.000 0.445 617 V N 0.050 120.041 119.914 0.129 0.000 2.358 617 V HA -0.255 3.865 4.120 0.000 0.000 0.246 617 V C 2.456 178.651 176.094 0.168 0.000 1.047 617 V CA 2.290 64.666 62.300 0.128 0.000 1.035 617 V CB -0.650 31.222 31.823 0.081 0.000 0.658 617 V HN 0.540 nan 8.190 nan 0.000 0.452 618 K N 0.292 120.807 120.400 0.192 0.000 2.026 618 K HA -0.162 4.158 4.320 0.000 0.000 0.208 618 K C 2.355 179.142 176.600 0.311 0.000 1.048 618 K CA 1.546 57.982 56.287 0.249 0.000 0.929 618 K CB -0.492 32.205 32.500 0.328 0.000 0.713 618 K HN 0.459 nan 8.250 nan 0.000 0.439 619 A N 1.633 124.697 122.820 0.407 0.000 1.892 619 A HA -0.179 4.141 4.320 0.000 0.000 0.218 619 A C 2.164 179.945 177.584 0.328 0.000 1.188 619 A CA 1.496 53.796 52.037 0.437 0.000 0.631 619 A CB -0.768 18.596 19.000 0.606 0.000 0.822 619 A HN 0.183 nan 8.150 nan 0.000 0.447 620 L N -0.760 120.632 121.223 0.282 0.000 2.141 620 L HA -0.149 4.191 4.340 0.000 0.000 0.209 620 L C 1.988 178.974 176.870 0.193 0.000 1.094 620 L CA 1.178 56.155 54.840 0.228 0.000 0.763 620 L CB -0.621 41.564 42.059 0.210 0.000 0.908 620 L HN 0.301 nan 8.230 nan 0.000 0.437 621 D N -0.406 120.100 120.400 0.177 0.000 2.117 621 D HA -0.131 4.509 4.640 0.000 0.000 0.198 621 D C 2.402 178.781 176.300 0.131 0.000 0.982 621 D CA 1.202 55.287 54.000 0.142 0.000 0.828 621 D CB -0.014 40.863 40.800 0.127 0.000 0.967 621 D HN 0.113 nan 8.370 nan 0.000 0.464 622 S N -0.028 115.774 115.700 0.170 0.000 2.368 622 S HA -0.099 4.371 4.470 0.000 0.000 0.225 622 S C 2.343 176.956 174.600 0.021 0.000 1.030 622 S CA 0.508 58.795 58.200 0.145 0.000 0.999 622 S CB -0.215 63.177 63.200 0.320 0.000 0.844 622 S HN 0.080 nan 8.310 nan 0.000 0.459 623 V N 2.591 122.534 119.914 0.048 0.000 2.287 623 V HA -0.254 3.866 4.120 0.000 0.000 0.248 623 V C 2.269 178.345 176.094 -0.031 0.000 1.053 623 V CA 2.165 64.453 62.300 -0.021 0.000 1.027 623 V CB -0.979 30.859 31.823 0.026 0.000 0.646 623 V HN 0.509 nan 8.190 nan 0.000 0.447 624 N N 0.150 118.890 118.700 0.067 0.000 2.069 624 N HA -0.240 4.500 4.740 0.000 0.000 0.191 624 N C 1.821 177.336 175.510 0.008 0.000 1.031 624 N CA 1.906 55.019 53.050 0.105 0.000 0.852 624 N CB -0.152 38.438 38.487 0.172 0.000 1.018 624 N HN 0.537 nan 8.380 nan 0.000 0.423 625 E N -0.343 119.849 120.200 -0.014 0.000 2.072 625 E HA 0.000 4.350 4.350 0.000 0.000 0.190 625 E C 1.772 178.270 176.600 -0.170 0.000 0.982 625 E CA 1.296 57.659 56.400 -0.062 0.000 0.803 625 E CB -0.036 29.651 29.700 -0.021 0.000 0.755 625 E HN 0.480 nan 8.360 nan 0.000 0.453 626 M N -0.807 118.665 119.600 -0.213 0.000 2.486 626 M HA 0.161 4.641 4.480 0.000 0.000 0.264 626 M C 1.317 177.342 176.300 -0.458 0.000 1.125 626 M CA 0.549 55.606 55.300 -0.406 0.000 1.144 626 M CB 0.487 32.899 32.600 -0.313 0.000 1.353 626 M HN 0.084 nan 8.290 nan 0.000 0.466 627 L N -1.097 119.960 121.223 -0.278 0.000 2.701 627 L HA 0.333 4.673 4.340 0.000 0.000 0.238 627 L C 1.103 177.850 176.870 -0.206 0.000 1.106 627 L CA -0.528 54.172 54.840 -0.233 0.000 0.898 627 L CB -0.047 41.894 42.059 -0.196 0.000 1.188 627 L HN 0.136 nan 8.230 nan 0.000 0.508 628 G N 0.959 109.650 108.800 -0.181 0.000 2.406 628 G HA2 0.380 4.340 3.960 0.000 0.000 0.251 628 G HA3 0.380 4.340 3.960 0.000 0.000 0.251 628 G C -0.011 174.816 174.900 -0.121 0.000 1.271 628 G CA 0.326 45.346 45.100 -0.134 0.000 0.859 628 G HN 0.142 nan 8.290 nan 0.000 0.540 629 T N -0.228 114.265 114.554 -0.102 0.000 2.841 629 T HA 0.582 4.932 4.350 0.000 0.000 0.296 629 T C -2.262 172.370 174.700 -0.114 0.000 1.166 629 T CA -1.460 60.586 62.100 -0.090 0.000 1.007 629 T CB 2.228 71.066 68.868 -0.050 0.000 1.253 629 T HN 0.087 nan 8.240 nan 0.000 0.511 630 P HA 0.054 nan 4.420 nan 0.000 0.225 630 P C 0.533 177.593 177.300 -0.400 0.000 1.148 630 P CA 1.095 64.006 63.100 -0.315 0.000 0.779 630 P CB -0.147 31.282 31.700 -0.451 0.000 0.780 631 H N -2.255 116.781 119.070 -0.056 0.000 2.586 631 H HA 0.447 5.003 4.556 0.000 0.000 0.273 631 H C 1.144 176.426 175.328 -0.077 0.000 0.997 631 H CA 0.323 56.335 56.048 -0.059 0.000 1.177 631 H CB 0.338 30.066 29.762 -0.056 0.000 1.471 631 H HN 0.107 nan 8.280 nan 0.000 0.538 632 G N -0.004 108.782 108.800 -0.023 0.000 2.334 632 G HA2 -0.037 3.923 3.960 0.000 0.000 0.315 632 G HA3 -0.037 3.923 3.960 0.000 0.000 0.315 632 G C -1.741 173.077 174.900 -0.137 0.000 1.284 632 G CA -1.115 43.939 45.100 -0.077 0.000 0.985 632 G HN 0.068 nan 8.290 nan 0.000 0.504 633 L N 0.993 122.097 121.223 -0.199 0.000 2.296 633 L HA 0.629 4.969 4.340 0.000 0.000 0.286 633 L C 1.219 177.990 176.870 -0.164 0.000 1.023 633 L CA -1.224 53.477 54.840 -0.233 0.000 0.812 633 L CB 1.373 43.225 42.059 -0.346 0.000 1.223 633 L HN 0.828 nan 8.230 nan 0.000 0.421 634 V N 1.617 121.443 119.914 -0.147 0.000 3.051 634 V HA 0.127 4.247 4.120 0.000 0.000 0.306 634 V C 1.112 177.133 176.094 -0.121 0.000 1.083 634 V CA -0.175 62.052 62.300 -0.121 0.000 1.104 634 V CB 1.497 33.248 31.823 -0.120 0.000 1.027 634 V HN 0.882 nan 8.190 nan 0.000 0.483 635 L N 0.706 121.866 121.223 -0.105 0.000 2.072 635 L HA 0.068 4.408 4.340 0.000 0.000 0.205 635 L C 1.204 177.944 176.870 -0.217 0.000 1.079 635 L CA 1.634 56.414 54.840 -0.101 0.000 0.752 635 L CB -0.162 41.863 42.059 -0.057 0.000 0.906 635 L HN 1.085 nan 8.230 nan 0.000 0.436 636 Q N -1.641 117.947 119.800 -0.352 0.000 2.511 636 Q HA 0.225 4.565 4.340 0.000 0.000 0.289 636 Q C -1.891 173.915 176.000 -0.324 0.000 1.021 636 Q CA -0.739 54.756 55.803 -0.513 0.000 0.785 636 Q CB 1.816 29.791 28.738 -1.271 0.000 1.472 636 Q HN 0.072 nan 8.270 nan 0.000 0.411 637 Y N 0.336 120.362 120.300 -0.456 0.000 2.482 637 Y HA 0.538 5.088 4.550 0.000 0.000 0.334 637 Y C -2.908 172.790 175.900 -0.337 0.000 1.091 637 Y CA -1.722 56.164 58.100 -0.357 0.000 1.027 637 Y CB 2.653 40.943 38.460 -0.283 0.000 1.306 637 Y HN 0.504 nan 8.280 nan 0.000 0.446 638 P HA 0.246 nan 4.420 nan 0.000 0.269 638 P C -0.960 175.938 177.300 -0.670 0.000 1.215 638 P CA 0.133 62.551 63.100 -1.136 0.000 0.780 638 P CB 0.689 31.861 31.700 -0.881 0.000 0.898 639 A N 2.114 124.666 122.820 -0.446 0.000 2.406 639 A HA 0.173 4.493 4.320 0.000 0.000 0.243 639 A C -0.614 176.754 177.584 -0.360 0.000 1.082 639 A CA 0.176 51.994 52.037 -0.364 0.000 0.786 639 A CB -0.540 18.360 19.000 -0.166 0.000 1.029 639 A HN 0.446 nan 8.150 nan 0.000 0.495 640 Y N 0.078 120.314 120.300 -0.107 0.000 2.335 640 Y HA 0.275 4.825 4.550 0.000 0.000 0.331 640 Y C 1.851 177.741 175.900 -0.016 0.000 1.094 640 Y CA 0.844 58.914 58.100 -0.050 0.000 1.253 640 Y CB 1.151 39.603 38.460 -0.014 0.000 1.203 640 Y HN 0.744 nan 8.280 nan 0.000 0.508 641 T N -2.826 111.805 114.554 0.128 0.000 3.040 641 T HA 0.161 4.511 4.350 0.000 0.000 0.250 641 T C 0.358 175.124 174.700 0.110 0.000 1.058 641 T CA 0.399 62.552 62.100 0.088 0.000 0.988 641 T CB -0.211 68.678 68.868 0.036 0.000 0.993 641 T HN 0.630 nan 8.240 nan 0.000 0.519 642 T N -1.363 113.279 114.554 0.146 0.000 2.883 642 T HA 0.504 4.854 4.350 0.000 0.000 0.301 642 T C -1.012 173.794 174.700 0.176 0.000 1.158 642 T CA -1.070 61.116 62.100 0.143 0.000 1.007 642 T CB 1.329 70.265 68.868 0.114 0.000 1.186 642 T HN 0.232 nan 8.240 nan 0.000 0.499 643 Y N 1.905 122.218 120.300 0.023 0.000 2.632 643 Y HA 0.228 4.778 4.550 0.000 0.000 0.329 643 Y C 0.112 175.993 175.900 -0.031 0.000 1.174 643 Y CA -0.373 57.719 58.100 -0.014 0.000 1.469 643 Y CB 0.505 38.969 38.460 0.006 0.000 1.242 643 Y HN 0.476 nan 8.280 nan 0.000 0.540 644 Q N 8.191 127.727 119.800 -0.440 0.000 2.462 644 Q HA 0.129 4.469 4.340 0.000 0.000 0.247 644 Q C 0.913 176.457 176.000 -0.760 0.000 1.044 644 Q CA -0.125 55.389 55.803 -0.483 0.000 0.803 644 Q CB 1.480 29.954 28.738 -0.439 0.000 1.190 644 Q HN 0.987 nan 8.270 nan 0.000 0.507 645 I N 2.104 122.201 120.570 -0.788 0.000 2.335 645 I HA -0.270 3.900 4.170 0.000 0.000 0.251 645 I C 1.911 177.653 176.117 -0.625 0.000 1.129 645 I CA 1.464 62.302 61.300 -0.771 0.000 1.402 645 I CB 0.425 38.230 38.000 -0.325 0.000 1.069 645 I HN 0.549 nan 8.210 nan 0.000 0.424 646 E N 1.013 120.893 120.200 -0.533 0.000 2.502 646 E HA -0.131 4.219 4.350 0.000 0.000 0.194 646 E C 1.583 177.791 176.600 -0.653 0.000 1.062 646 E CA 0.683 56.607 56.400 -0.793 0.000 0.867 646 E CB -0.188 29.293 29.700 -0.364 0.000 0.888 646 E HN 0.578 nan 8.360 nan 0.000 0.510 647 L N -0.239 120.681 121.223 -0.504 0.000 2.664 647 L HA 0.326 4.666 4.340 0.000 0.000 0.233 647 L C 1.320 177.990 176.870 -0.333 0.000 1.113 647 L CA 0.108 54.723 54.840 -0.375 0.000 0.896 647 L CB 0.158 42.007 42.059 -0.351 0.000 1.163 647 L HN 0.311 nan 8.230 nan 0.000 0.497 648 G N 1.282 109.872 108.800 -0.350 0.000 2.498 648 G HA2 -0.375 3.585 3.960 0.000 0.000 0.251 648 G HA3 -0.375 3.585 3.960 0.000 0.000 0.251 648 G C 0.532 174.963 174.900 -0.781 0.000 1.170 648 G CA 0.440 45.335 45.100 -0.343 0.000 0.944 648 G HN 0.270 nan 8.290 nan 0.000 0.567 649 E N -0.436 119.095 120.200 -1.115 0.000 2.204 649 E HA 0.030 4.380 4.350 0.000 0.000 0.194 649 E C 2.601 178.892 176.600 -0.515 0.000 0.989 649 E CA 1.659 57.290 56.400 -1.282 0.000 0.824 649 E CB -0.107 29.166 29.700 -0.712 0.000 0.756 649 E HN 0.779 nan 8.360 nan 0.000 0.477 650 V N 0.876 120.641 119.914 -0.249 0.000 2.282 650 V HA -0.274 3.846 4.120 0.000 0.000 0.249 650 V C 2.045 178.156 176.094 0.028 0.000 1.057 650 V CA 2.614 64.907 62.300 -0.012 0.000 1.032 650 V CB -0.433 31.444 31.823 0.090 0.000 0.645 650 V HN 0.534 nan 8.190 nan 0.000 0.447 651 S N -0.675 114.989 115.700 -0.060 0.000 2.607 651 S HA -0.092 4.378 4.470 0.000 0.000 0.224 651 S C 1.694 176.343 174.600 0.082 0.000 0.969 651 S CA 1.007 59.236 58.200 0.048 0.000 0.927 651 S CB -0.602 62.584 63.200 -0.024 0.000 0.772 651 S HN 0.879 nan 8.310 nan 0.000 0.533 652 T N -2.158 112.364 114.554 -0.053 0.000 3.067 652 T HA 0.166 4.516 4.350 0.000 0.000 0.261 652 T C 0.271 174.868 174.700 -0.172 0.000 1.110 652 T CA -0.200 61.807 62.100 -0.155 0.000 1.113 652 T CB -0.711 67.983 68.868 -0.290 0.000 0.917 652 T HN 0.436 nan 8.240 nan 0.000 0.499 653 Y N 2.730 123.044 120.300 0.024 0.000 2.335 653 Y HA 0.387 4.937 4.550 0.000 0.000 0.331 653 Y C -2.169 173.791 175.900 0.101 0.000 1.094 653 Y CA -2.800 55.339 58.100 0.065 0.000 1.253 653 Y CB 0.351 38.866 38.460 0.091 0.000 1.203 653 Y HN 0.067 nan 8.280 nan 0.000 0.508 654 P HA -0.044 nan 4.420 nan 0.000 0.265 654 P C -2.523 174.959 177.300 0.303 0.000 1.187 654 P CA -0.755 62.498 63.100 0.255 0.000 0.766 654 P CB 0.088 31.936 31.700 0.246 0.000 0.820 655 P HA 0.046 nan 4.420 nan 0.000 0.265 655 P C 0.938 178.203 177.300 -0.059 0.000 1.193 655 P CA 1.498 64.633 63.100 0.059 0.000 0.765 655 P CB 0.143 31.851 31.700 0.013 0.000 0.823 656 G N 1.070 109.768 108.800 -0.171 0.000 2.176 656 G HA2 -0.215 3.745 3.960 0.000 0.000 0.232 656 G HA3 -0.215 3.745 3.960 0.000 0.000 0.232 656 G C -0.482 174.056 174.900 -0.604 0.000 0.986 656 G CA -0.445 44.414 45.100 -0.402 0.000 0.643 656 G HN 0.451 nan 8.290 nan 0.000 0.522 657 Y N 0.327 120.592 120.300 -0.058 0.000 2.446 657 Y HA 0.645 5.195 4.550 -0.000 0.000 0.345 657 Y C 1.149 176.897 175.900 -0.254 0.000 0.984 657 Y CA -0.685 57.340 58.100 -0.124 0.000 1.058 657 Y CB 1.445 39.860 38.460 -0.075 0.000 1.220 657 Y HN 0.134 nan 8.280 nan 0.000 0.455 658 K N 0.298 120.612 120.400 -0.145 0.000 1.987 658 K HA -0.315 4.005 4.320 0.000 0.000 0.206 658 K C 0.805 177.392 176.600 -0.021 0.000 1.587 658 K CA 1.588 57.736 56.287 -0.232 0.000 0.589 658 K CB -0.708 31.182 32.500 -1.015 0.000 0.682 658 K HN 0.905 nan 8.250 nan 0.000 0.876 659 E N 1.084 121.185 120.200 -0.165 0.000 2.472 659 E HA -0.076 4.274 4.350 0.000 0.000 0.200 659 E C 0.514 177.080 176.600 -0.056 0.000 1.046 659 E CA 0.654 56.990 56.400 -0.106 0.000 0.871 659 E CB -0.169 29.444 29.700 -0.144 0.000 0.806 659 E HN 0.287 nan 8.360 nan 0.000 0.533 660 N N -0.174 118.526 118.700 -0.001 0.000 3.091 660 N HA 0.212 4.952 4.740 0.000 0.000 0.255 660 N C 0.056 175.529 175.510 -0.062 0.000 1.204 660 N CA 0.390 53.447 53.050 0.011 0.000 0.990 660 N CB 0.393 38.983 38.487 0.172 0.000 1.260 660 N HN 0.100 nan 8.380 nan 0.000 0.502 661 G N 0.843 109.558 108.800 -0.142 0.000 2.176 661 G HA2 -0.200 3.760 3.960 0.000 0.000 0.253 661 G HA3 -0.200 3.760 3.960 0.000 0.000 0.253 661 G C 0.518 175.333 174.900 -0.142 0.000 0.979 661 G CA -0.110 44.900 45.100 -0.150 0.000 0.641 661 G HN 0.798 nan 8.290 nan 0.000 0.530 662 G N -0.446 108.291 108.800 -0.105 0.000 2.539 662 G HA2 0.528 4.488 3.960 0.000 0.000 0.258 662 G HA3 0.528 4.488 3.960 0.000 0.000 0.258 662 G C 0.304 175.170 174.900 -0.058 0.000 1.202 662 G CA -0.624 44.412 45.100 -0.106 0.000 0.851 662 G HN 0.667 nan 8.290 nan 0.000 0.556 663 I N 0.936 121.448 120.570 -0.096 0.000 2.389 663 I HA 0.079 4.249 4.170 0.000 0.000 0.295 663 I C -0.463 175.612 176.117 -0.071 0.000 1.117 663 I CA 0.065 61.318 61.300 -0.078 0.000 1.317 663 I CB 0.187 38.130 38.000 -0.095 0.000 1.431 663 I HN 0.247 nan 8.210 nan 0.000 0.521 664 F N 6.165 126.050 119.950 -0.109 0.000 2.351 664 F HA 0.194 4.721 4.527 0.000 0.000 0.362 664 F C 1.356 177.092 175.800 -0.106 0.000 1.131 664 F CA -0.272 57.693 58.000 -0.059 0.000 1.187 664 F CB 0.512 39.551 39.000 0.066 0.000 1.434 664 F HN 0.586 nan 8.300 nan 0.000 0.553 665 C N 2.701 121.919 119.300 -0.137 0.000 2.410 665 C HA -0.192 4.268 4.460 0.000 0.000 0.281 665 C C 2.840 177.715 174.990 -0.191 0.000 1.318 665 C CA 1.098 60.034 59.018 -0.136 0.000 1.776 665 C CB -1.124 26.552 27.740 -0.106 0.000 1.942 665 C HN 0.878 nan 8.230 nan 0.000 0.508 666 N N 2.708 121.339 118.700 -0.114 0.000 2.205 666 N HA -0.137 4.603 4.740 0.000 0.000 0.186 666 N C 1.158 176.076 175.510 -0.986 0.000 1.015 666 N CA 2.089 54.992 53.050 -0.244 0.000 0.862 666 N CB -0.542 38.054 38.487 0.182 0.000 0.986 666 N HN 0.749 nan 8.380 nan 0.000 0.429 667 N N -0.943 117.131 118.700 -1.043 0.000 2.398 667 N HA 0.029 4.769 4.740 0.000 0.000 0.188 667 N C 0.843 175.812 175.510 -0.901 0.000 1.122 667 N CA 0.283 52.318 53.050 -1.693 0.000 0.866 667 N CB -0.382 37.337 38.487 -1.281 0.000 0.970 667 N HN 0.069 nan 8.380 nan 0.000 0.462 668 N N 1.129 119.498 118.700 -0.552 0.000 2.142 668 N HA 0.005 4.745 4.740 0.000 0.000 0.186 668 N C -1.093 174.292 175.510 -0.208 0.000 1.023 668 N CA 0.837 53.701 53.050 -0.310 0.000 0.852 668 N CB -1.150 37.211 38.487 -0.211 0.000 0.998 668 N HN 0.294 nan 8.380 nan 0.000 0.424 669 P HA -0.089 nan 4.420 nan 0.000 0.219 669 P C 0.809 178.148 177.300 0.064 0.000 1.146 669 P CA 0.888 63.987 63.100 -0.001 0.000 0.808 669 P CB -0.079 31.697 31.700 0.126 0.000 0.779 670 W N -0.804 120.371 121.300 -0.208 0.000 2.338 670 W HA -0.079 4.581 4.660 0.000 0.000 0.304 670 W C 2.063 178.510 176.519 -0.121 0.000 1.212 670 W CA 0.486 57.690 57.345 -0.235 0.000 1.264 670 W CB -1.897 27.454 29.460 -0.181 0.000 1.142 670 W HN -0.159 nan 8.180 nan 0.000 0.512 671 V N 0.632 120.628 119.914 0.137 0.000 2.427 671 V HA -0.274 3.846 4.120 0.000 0.000 0.248 671 V C 2.190 178.394 176.094 0.184 0.000 1.051 671 V CA 1.464 63.838 62.300 0.122 0.000 1.048 671 V CB -0.855 30.977 31.823 0.014 0.000 0.666 671 V HN 0.047 nan 8.190 nan 0.000 0.456 672 I N -0.213 120.469 120.570 0.186 0.000 2.163 672 I HA -0.280 3.891 4.170 0.000 0.000 0.243 672 I C 2.306 178.497 176.117 0.124 0.000 1.085 672 I CA 1.940 63.373 61.300 0.222 0.000 1.347 672 I CB -0.330 37.804 38.000 0.224 0.000 1.044 672 I HN 0.229 nan 8.210 nan 0.000 0.408 673 I N 0.684 121.283 120.570 0.047 0.000 2.226 673 I HA -0.287 3.883 4.170 0.000 0.000 0.245 673 I C 2.819 178.873 176.117 -0.105 0.000 1.100 673 I CA 1.294 62.513 61.300 -0.134 0.000 1.374 673 I CB -0.524 37.266 38.000 -0.351 0.000 1.057 673 I HN 0.195 nan 8.210 nan 0.000 0.413 674 A N 0.478 123.276 122.820 -0.036 0.000 1.908 674 A HA -0.222 4.098 4.320 0.000 0.000 0.218 674 A C 2.247 179.861 177.584 0.049 0.000 1.181 674 A CA 1.612 53.647 52.037 -0.003 0.000 0.627 674 A CB -0.484 18.546 19.000 0.050 0.000 0.818 674 A HN 0.359 nan 8.150 nan 0.000 0.445 675 E N -0.330 119.926 120.200 0.093 0.000 2.085 675 E HA -0.180 4.170 4.350 0.000 0.000 0.194 675 E C 2.361 179.000 176.600 0.065 0.000 0.994 675 E CA 1.937 58.392 56.400 0.091 0.000 0.801 675 E CB -0.832 28.929 29.700 0.102 0.000 0.743 675 E HN 0.860 nan 8.360 nan 0.000 0.453 676 T N -0.896 113.699 114.554 0.068 0.000 2.788 676 T HA -0.100 4.250 4.350 0.000 0.000 0.268 676 T C 2.197 176.943 174.700 0.076 0.000 1.044 676 T CA 1.390 63.540 62.100 0.084 0.000 1.139 676 T CB -0.648 68.306 68.868 0.144 0.000 0.867 676 T HN -0.043 nan 8.240 nan 0.000 0.454 677 V N 2.555 122.499 119.914 0.051 0.000 2.287 677 V HA -0.147 3.974 4.120 0.000 0.000 0.248 677 V C 3.050 179.169 176.094 0.041 0.000 1.053 677 V CA 1.919 64.244 62.300 0.041 0.000 1.027 677 V CB -0.847 30.974 31.823 -0.003 0.000 0.646 677 V HN 0.686 nan 8.190 nan 0.000 0.447 678 V N -1.387 118.554 119.914 0.044 0.000 3.217 678 V HA 0.414 4.534 4.120 0.000 0.000 0.264 678 V C 1.467 177.584 176.094 0.039 0.000 1.135 678 V CA 1.096 63.423 62.300 0.045 0.000 1.142 678 V CB -0.521 31.337 31.823 0.058 0.000 0.754 678 V HN 0.876 nan 8.190 nan 0.000 0.484 679 G N 0.884 109.708 108.800 0.040 0.000 2.145 679 G HA2 -0.186 3.774 3.960 0.000 0.000 0.176 679 G HA3 -0.186 3.774 3.960 0.000 0.000 0.176 679 G C 0.088 175.004 174.900 0.027 0.000 1.013 679 G CA -0.019 45.100 45.100 0.033 0.000 0.689 679 G HN 0.579 nan 8.290 nan 0.000 0.506 680 R N 0.526 121.043 120.500 0.028 0.000 3.050 680 R HA 0.413 4.753 4.340 0.000 0.000 0.275 680 R C 1.842 178.148 176.300 0.009 0.000 1.373 680 R CA 0.012 56.120 56.100 0.013 0.000 1.612 680 R CB 0.596 30.900 30.300 0.006 0.000 1.218 680 R HN 0.274 nan 8.270 nan 0.000 0.621 681 G N 1.157 109.968 108.800 0.017 0.000 2.469 681 G HA2 -0.357 3.603 3.960 0.000 0.000 0.219 681 G HA3 -0.357 3.603 3.960 0.000 0.000 0.219 681 G C 1.427 176.346 174.900 0.032 0.000 1.150 681 G CA 1.084 46.198 45.100 0.024 0.000 0.763 681 G HN 0.519 nan 8.290 nan 0.000 0.561 682 A N 0.306 123.136 122.820 0.016 0.000 1.908 682 A HA -0.140 4.180 4.320 0.000 0.000 0.218 682 A C 2.315 179.885 177.584 -0.023 0.000 1.181 682 A CA 2.207 54.263 52.037 0.032 0.000 0.627 682 A CB -0.541 18.466 19.000 0.011 0.000 0.818 682 A HN 0.481 nan 8.150 nan 0.000 0.445 683 Q N -0.658 119.075 119.800 -0.112 0.000 2.119 683 Q HA -0.022 4.318 4.340 0.000 0.000 0.201 683 Q C 2.087 177.822 176.000 -0.442 0.000 0.972 683 Q CA 1.634 57.241 55.803 -0.327 0.000 0.847 683 Q CB -0.386 28.167 28.738 -0.308 0.000 0.903 683 Q HN 0.588 nan 8.270 nan 0.000 0.433 684 A N -0.025 122.706 122.820 -0.148 0.000 1.902 684 A HA -0.171 4.149 4.320 0.000 0.000 0.217 684 A C 1.858 179.505 177.584 0.105 0.000 1.181 684 A CA 1.281 53.325 52.037 0.013 0.000 0.623 684 A CB -0.901 18.151 19.000 0.088 0.000 0.818 684 A HN 0.610 nan 8.150 nan 0.000 0.443 685 F N 1.270 121.184 119.950 -0.059 0.000 2.186 685 F HA -0.092 4.435 4.527 0.000 0.000 0.299 685 F C 1.860 177.652 175.800 -0.012 0.000 1.090 685 F CA 1.536 59.526 58.000 -0.016 0.000 1.307 685 F CB -0.349 38.621 39.000 -0.050 0.000 1.019 685 F HN 0.383 nan 8.300 nan 0.000 0.489 686 D N -0.461 119.849 120.400 -0.148 0.000 2.092 686 D HA -0.277 4.363 4.640 0.000 0.000 0.193 686 D C 2.173 178.394 176.300 -0.131 0.000 0.994 686 D CA 1.909 55.763 54.000 -0.245 0.000 0.828 686 D CB -0.626 40.028 40.800 -0.243 0.000 0.963 686 D HN 0.295 nan 8.370 nan 0.000 0.450 687 Y N -0.407 119.849 120.300 -0.074 0.000 2.207 687 Y HA -0.142 4.408 4.550 -0.000 0.000 0.287 687 Y C 2.351 178.209 175.900 -0.071 0.000 1.156 687 Y CA 0.759 58.821 58.100 -0.063 0.000 1.182 687 Y CB -1.545 36.911 38.460 -0.007 0.000 0.979 687 Y HN 0.174 nan 8.280 nan 0.000 0.521 688 Y N 1.246 121.543 120.300 -0.006 0.000 2.097 688 Y HA -0.258 4.292 4.550 0.000 0.000 0.282 688 Y C 2.175 177.920 175.900 -0.257 0.000 1.152 688 Y CA 1.982 60.036 58.100 -0.077 0.000 1.136 688 Y CB -0.376 38.062 38.460 -0.036 0.000 0.975 688 Y HN -0.009 nan 8.280 nan 0.000 0.498 689 K N -0.059 119.974 120.400 -0.611 0.000 2.147 689 K HA -0.162 4.158 4.320 0.000 0.000 0.205 689 K C 2.123 178.432 176.600 -0.485 0.000 1.049 689 K CA 1.530 57.242 56.287 -0.958 0.000 0.936 689 K CB -0.188 31.581 32.500 -1.217 0.000 0.722 689 K HN 0.370 nan 8.250 nan 0.000 0.446 690 R N 0.822 121.158 120.500 -0.272 0.000 2.115 690 R HA -0.068 4.272 4.340 0.000 0.000 0.230 690 R C 2.152 178.387 176.300 -0.108 0.000 1.111 690 R CA 1.317 57.330 56.100 -0.146 0.000 0.976 690 R CB -0.249 30.011 30.300 -0.067 0.000 0.870 690 R HN 0.381 nan 8.270 nan 0.000 0.445 691 I N -3.169 117.328 120.570 -0.121 0.000 4.082 691 I HA 0.235 4.405 4.170 0.000 0.000 0.337 691 I C -0.271 175.781 176.117 -0.107 0.000 1.352 691 I CA -0.216 61.048 61.300 -0.060 0.000 1.097 691 I CB 0.880 38.886 38.000 0.010 0.000 1.048 691 I HN -0.272 nan 8.210 nan 0.000 0.393 692 T N 3.845 118.256 114.554 -0.238 0.000 2.806 692 T HA 0.280 4.630 4.350 0.000 0.000 0.290 692 T C -1.670 172.813 174.700 -0.363 0.000 0.966 692 T CA -0.845 61.033 62.100 -0.370 0.000 1.060 692 T CB 1.676 70.203 68.868 -0.569 0.000 0.927 692 T HN -0.020 nan 8.240 nan 0.000 0.485 693 P HA -0.204 nan 4.420 nan 0.000 0.215 693 P C 1.452 178.578 177.300 -0.290 0.000 1.163 693 P CA 1.269 64.058 63.100 -0.519 0.000 0.894 693 P CB 0.064 31.419 31.700 -0.576 0.000 0.791 694 A N -1.951 120.709 122.820 -0.267 0.000 1.978 694 A HA -0.228 4.092 4.320 0.000 0.000 0.220 694 A C 1.957 179.321 177.584 -0.366 0.000 1.170 694 A CA 1.623 53.456 52.037 -0.340 0.000 0.636 694 A CB -1.854 16.781 19.000 -0.608 0.000 0.810 694 A HN 0.224 nan 8.150 nan 0.000 0.448 695 Y N -1.079 119.119 120.300 -0.170 0.000 2.420 695 Y HA 0.058 4.608 4.550 0.000 0.000 0.292 695 Y C 2.404 178.229 175.900 -0.125 0.000 1.119 695 Y CA 1.045 59.063 58.100 -0.137 0.000 1.229 695 Y CB 0.031 38.381 38.460 -0.183 0.000 1.026 695 Y HN 0.180 nan 8.280 nan 0.000 0.554 696 R N 0.017 120.484 120.500 -0.055 0.000 2.334 696 R HA -0.012 4.328 4.340 0.000 0.000 0.216 696 R C 1.777 178.010 176.300 -0.111 0.000 0.905 696 R CA 0.129 56.165 56.100 -0.106 0.000 1.064 696 R CB 0.067 30.215 30.300 -0.253 0.000 1.046 696 R HN 0.382 nan 8.270 nan 0.000 0.508 697 E N 1.320 121.472 120.200 -0.080 0.000 2.153 697 E HA -0.206 4.144 4.350 0.000 0.000 0.194 697 E C 0.534 177.166 176.600 0.053 0.000 0.988 697 E CA 1.223 57.609 56.400 -0.023 0.000 0.811 697 E CB 0.190 29.958 29.700 0.114 0.000 0.746 697 E HN 0.188 nan 8.360 nan 0.000 0.466 698 D N 0.230 120.660 120.400 0.051 0.000 2.348 698 D HA -0.065 4.575 4.640 0.000 0.000 0.216 698 D C 1.138 177.484 176.300 0.076 0.000 0.970 698 D CA 0.619 54.657 54.000 0.064 0.000 0.889 698 D CB 0.033 40.863 40.800 0.050 0.000 0.912 698 D HN 0.453 nan 8.370 nan 0.000 0.524 699 I N -2.645 117.974 120.570 0.082 0.000 3.399 699 I HA 0.306 4.476 4.170 0.000 0.000 0.345 699 I C 0.957 177.173 176.117 0.166 0.000 1.512 699 I CA -0.329 61.041 61.300 0.117 0.000 1.047 699 I CB 0.756 38.829 38.000 0.121 0.000 1.552 699 I HN -0.364 nan 8.210 nan 0.000 0.494 700 S N 2.077 117.908 115.700 0.219 0.000 2.419 700 S HA -0.166 4.304 4.470 0.000 0.000 0.233 700 S C 1.728 176.577 174.600 0.415 0.000 1.016 700 S CA 1.868 60.268 58.200 0.334 0.000 0.974 700 S CB -0.289 63.237 63.200 0.544 0.000 0.786 700 S HN 0.812 nan 8.310 nan 0.000 0.492 701 D N 0.768 121.416 120.400 0.414 0.000 2.264 701 D HA -0.067 4.573 4.640 0.000 0.000 0.208 701 D C 1.418 177.832 176.300 0.190 0.000 0.966 701 D CA 1.011 55.214 54.000 0.337 0.000 0.864 701 D CB -0.684 40.296 40.800 0.299 0.000 0.933 701 D HN 0.276 nan 8.370 nan 0.000 0.499 702 T N -0.472 114.180 114.554 0.163 0.000 2.866 702 T HA -0.085 4.265 4.350 0.000 0.000 0.250 702 T C 1.650 176.379 174.700 0.050 0.000 1.033 702 T CA 1.002 63.155 62.100 0.088 0.000 1.145 702 T CB -0.433 68.494 68.868 0.098 0.000 0.866 702 T HN 0.293 nan 8.240 nan 0.000 0.434 703 H N 1.303 120.368 119.070 -0.009 0.000 2.353 703 H HA -0.033 4.523 4.556 0.000 0.000 0.300 703 H C 1.554 176.861 175.328 -0.035 0.000 1.090 703 H CA 1.820 57.828 56.048 -0.066 0.000 1.327 703 H CB 0.075 29.782 29.762 -0.092 0.000 1.383 703 H HN 0.234 nan 8.280 nan 0.000 0.508 704 K N -2.393 118.080 120.400 0.122 0.000 4.018 704 K HA -0.229 4.091 4.320 0.000 0.000 0.416 704 K C 0.323 177.131 176.600 0.347 0.000 0.464 704 K CA 1.643 58.027 56.287 0.162 0.000 1.816 704 K CB -1.550 30.969 32.500 0.031 0.000 0.928 704 K HN 0.226 nan 8.250 nan 0.000 0.497 705 L N 1.610 122.894 121.223 0.103 0.000 2.682 705 L HA 0.189 4.529 4.340 0.000 0.000 0.209 705 L C 0.601 177.219 176.870 -0.420 0.000 1.195 705 L CA -0.580 54.323 54.840 0.106 0.000 0.869 705 L CB 0.081 42.093 42.059 -0.079 0.000 1.599 705 L HN 0.031 nan 8.230 nan 0.000 0.518 706 E N 1.503 121.181 120.200 -0.870 0.000 2.465 706 E HA -0.013 4.337 4.350 0.000 0.000 0.260 706 E C -1.830 173.857 176.600 -1.522 0.000 0.980 706 E CA -0.812 54.513 56.400 -1.792 0.000 0.927 706 E CB 0.208 28.909 29.700 -1.665 0.000 0.934 706 E HN 0.245 nan 8.360 nan 0.000 0.459 707 P HA -0.040 nan 4.420 nan 0.000 0.253 707 P C -0.407 176.288 177.300 -1.009 0.000 1.260 707 P CA 0.638 63.043 63.100 -1.158 0.000 0.800 707 P CB -0.008 31.110 31.700 -0.970 0.000 1.162 708 Y N -1.468 118.222 120.300 -1.018 0.000 2.500 708 Y HA 0.433 4.983 4.550 -0.000 0.000 0.246 708 Y C 0.407 175.959 175.900 -0.581 0.000 1.146 708 Y CA -1.122 56.488 58.100 -0.817 0.000 1.230 708 Y CB -0.202 37.471 38.460 -1.311 0.000 1.214 708 Y HN -0.256 nan 8.280 nan 0.000 0.526 709 V N -3.367 116.027 119.914 -0.867 0.000 3.007 709 V HA 0.528 4.648 4.120 0.000 0.000 0.311 709 V C -0.822 174.919 176.094 -0.588 0.000 1.120 709 V CA -1.907 59.971 62.300 -0.704 0.000 0.980 709 V CB 1.157 32.258 31.823 -1.204 0.000 1.033 709 V HN 0.103 nan 8.190 nan 0.000 0.429 710 Y N 1.384 121.510 120.300 -0.289 0.000 2.457 710 Y HA 0.617 5.167 4.550 0.000 0.000 0.341 710 Y C 0.924 176.709 175.900 -0.191 0.000 1.240 710 Y CA 1.119 59.104 58.100 -0.192 0.000 1.437 710 Y CB 0.902 39.306 38.460 -0.093 0.000 1.328 710 Y HN 1.101 nan 8.280 nan 0.000 0.588 711 A N 1.409 124.242 122.820 0.023 0.000 2.386 711 A HA 0.312 4.632 4.320 0.000 0.000 0.308 711 A C 0.675 178.173 177.584 -0.144 0.000 1.128 711 A CA -0.800 51.178 52.037 -0.098 0.000 0.789 711 A CB 1.650 20.539 19.000 -0.184 0.000 1.325 711 A HN 0.846 nan 8.150 nan 0.000 0.437 712 Q N -0.560 119.089 119.800 -0.251 0.000 2.119 712 Q HA -0.044 4.296 4.340 0.000 0.000 0.201 712 Q C 0.238 175.882 176.000 -0.594 0.000 0.972 712 Q CA 1.728 57.295 55.803 -0.393 0.000 0.847 712 Q CB -0.079 28.394 28.738 -0.443 0.000 0.903 712 Q HN 0.795 nan 8.270 nan 0.000 0.433 713 M N -0.090 119.207 119.600 -0.506 0.000 2.326 713 M HA 0.470 4.950 4.480 0.000 0.000 0.292 713 M C -2.002 174.102 176.300 -0.326 0.000 1.081 713 M CA -0.507 54.504 55.300 -0.482 0.000 0.919 713 M CB 1.914 34.179 32.600 -0.558 0.000 1.634 713 M HN -0.046 nan 8.290 nan 0.000 0.451 714 I N 3.840 124.262 120.570 -0.247 0.000 2.404 714 I HA 0.733 4.903 4.170 0.000 0.000 0.293 714 I C 0.330 176.319 176.117 -0.212 0.000 0.992 714 I CA -1.124 60.046 61.300 -0.217 0.000 1.149 714 I CB 2.023 39.942 38.000 -0.135 0.000 1.315 714 I HN 1.041 nan 8.210 nan 0.000 0.446 715 A N 4.674 127.358 122.820 -0.227 0.000 2.540 715 A HA 0.475 4.795 4.320 0.000 0.000 0.239 715 A C 0.669 178.087 177.584 -0.277 0.000 1.061 715 A CA 0.311 52.171 52.037 -0.295 0.000 0.758 715 A CB -0.079 18.739 19.000 -0.304 0.000 0.991 715 A HN 0.885 nan 8.150 nan 0.000 0.502 716 G N 0.605 109.226 108.800 -0.298 0.000 2.525 716 G HA2 0.394 4.354 3.960 0.000 0.000 0.287 716 G HA3 0.394 4.354 3.960 0.000 0.000 0.287 716 G C 0.870 175.670 174.900 -0.167 0.000 1.350 716 G CA -0.043 44.941 45.100 -0.192 0.000 1.039 716 G HN 0.903 nan 8.290 nan 0.000 0.513 717 K N -0.799 119.540 120.400 -0.102 0.000 2.209 717 K HA -0.023 4.297 4.320 0.000 0.000 0.204 717 K C 1.500 178.056 176.600 -0.074 0.000 1.048 717 K CA 1.566 57.813 56.287 -0.066 0.000 0.940 717 K CB 0.062 32.530 32.500 -0.053 0.000 0.729 717 K HN 0.522 nan 8.250 nan 0.000 0.451 718 E N 0.923 121.065 120.200 -0.096 0.000 2.482 718 E HA 0.061 4.411 4.350 0.000 0.000 0.196 718 E C 0.095 176.616 176.600 -0.131 0.000 1.047 718 E CA -0.047 56.303 56.400 -0.083 0.000 0.869 718 E CB 0.296 29.954 29.700 -0.070 0.000 0.836 718 E HN 0.424 nan 8.360 nan 0.000 0.520 719 A N 0.934 123.607 122.820 -0.245 0.000 2.316 719 A HA 0.193 4.513 4.320 0.000 0.000 0.284 719 A C 1.400 178.917 177.584 -0.112 0.000 1.115 719 A CA -0.354 51.490 52.037 -0.322 0.000 0.812 719 A CB 0.737 19.256 19.000 -0.803 0.000 1.064 719 A HN 0.098 nan 8.150 nan 0.000 0.489 720 V N 0.539 120.464 119.914 0.019 0.000 2.759 720 V HA -0.093 4.027 4.120 0.000 0.000 0.256 720 V C 1.437 177.554 176.094 0.038 0.000 1.080 720 V CA 1.779 64.105 62.300 0.043 0.000 1.101 720 V CB -0.888 30.980 31.823 0.075 0.000 0.698 720 V HN 0.796 nan 8.190 nan 0.000 0.477 721 R N 1.229 121.771 120.500 0.069 0.000 2.391 721 R HA 0.537 4.877 4.340 0.000 0.000 0.249 721 R C 0.951 177.206 176.300 -0.075 0.000 0.957 721 R CA 0.382 56.510 56.100 0.046 0.000 1.093 721 R CB -0.093 30.314 30.300 0.177 0.000 1.156 721 R HN 0.563 nan 8.270 nan 0.000 0.526 722 A N 0.816 123.561 122.820 -0.125 0.000 2.600 722 A HA 0.177 4.498 4.320 0.000 0.000 0.244 722 A C 1.391 178.802 177.584 -0.287 0.000 1.016 722 A CA 1.350 53.282 52.037 -0.175 0.000 0.778 722 A CB -0.366 18.589 19.000 -0.076 0.000 0.920 722 A HN 0.642 nan 8.150 nan 0.000 0.513 723 G N 1.778 110.273 108.800 -0.509 0.000 2.232 723 G HA2 -0.181 3.779 3.960 0.000 0.000 0.226 723 G HA3 -0.181 3.779 3.960 0.000 0.000 0.226 723 G C 0.014 174.638 174.900 -0.459 0.000 0.996 723 G CA 0.291 44.796 45.100 -0.992 0.000 0.626 723 G HN 0.882 nan 8.290 nan 0.000 0.509 724 E N 1.157 121.181 120.200 -0.293 0.000 2.229 724 E HA 0.602 4.952 4.350 0.000 0.000 0.283 724 E C 0.474 176.898 176.600 -0.294 0.000 1.030 724 E CA 0.147 56.408 56.400 -0.231 0.000 0.836 724 E CB 1.488 31.117 29.700 -0.119 0.000 1.068 724 E HN 0.608 nan 8.360 nan 0.000 0.401 725 A N 4.005 126.547 122.820 -0.464 0.000 2.293 725 A HA 0.494 4.814 4.320 0.000 0.000 0.302 725 A C -0.251 177.059 177.584 -0.456 0.000 1.119 725 A CA -0.480 51.236 52.037 -0.534 0.000 0.823 725 A CB 0.762 19.193 19.000 -0.949 0.000 1.097 725 A HN 0.540 nan 8.150 nan 0.000 0.491 726 K N 0.198 120.303 120.400 -0.492 0.000 2.444 726 K HA 0.442 4.762 4.320 0.000 0.000 0.252 726 K C -0.798 175.237 176.600 -0.942 0.000 0.993 726 K CA -0.939 54.913 56.287 -0.724 0.000 0.847 726 K CB 1.649 33.876 32.500 -0.455 0.000 1.340 726 K HN 0.832 nan 8.250 nan 0.000 0.446 727 N N 0.748 118.375 118.700 -1.788 0.000 2.746 727 N HA -0.177 4.563 4.740 0.000 0.000 0.250 727 N C -0.520 174.729 175.510 -0.436 0.000 1.055 727 N CA 0.330 52.793 53.050 -0.977 0.000 0.699 727 N CB -0.928 37.289 38.487 -0.450 0.000 0.919 727 N HN 0.697 nan 8.380 nan 0.000 0.548 728 S N -1.396 114.112 115.700 -0.319 0.000 2.580 728 S HA 0.154 4.624 4.470 0.000 0.000 0.266 728 S C 1.062 175.829 174.600 0.279 0.000 1.354 728 S CA 0.666 58.859 58.200 -0.011 0.000 1.008 728 S CB 0.823 64.049 63.200 0.042 0.000 0.898 728 S HN 0.624 nan 8.310 nan 0.000 0.555 729 W N -1.158 120.159 121.300 0.028 0.000 0.513 729 W HA -0.258 4.402 4.660 0.000 0.000 0.215 729 W C 0.165 176.689 176.519 0.009 0.000 0.928 729 W CA 1.023 58.403 57.345 0.059 0.000 0.473 729 W CB -1.299 28.268 29.460 0.180 0.000 1.889 729 W HN 0.590 nan 8.180 nan 0.000 0.736 730 L N 1.959 123.358 121.223 0.293 0.000 2.288 730 L HA 0.567 4.907 4.340 0.000 0.000 0.283 730 L C 0.343 177.254 176.870 0.068 0.000 1.072 730 L CA 0.389 55.306 54.840 0.129 0.000 0.862 730 L CB 0.748 42.865 42.059 0.096 0.000 1.245 730 L HN -0.029 nan 8.230 nan 0.000 0.432 731 T N 0.362 114.952 114.554 0.060 0.000 2.957 731 T HA 0.317 4.667 4.350 0.000 0.000 0.336 731 T C 0.935 175.682 174.700 0.077 0.000 1.462 731 T CA 0.037 62.166 62.100 0.048 0.000 1.073 731 T CB 1.625 70.497 68.868 0.007 0.000 1.319 731 T HN 0.543 nan 8.240 nan 0.000 0.485 732 G N 1.510 110.386 108.800 0.127 0.000 2.559 732 G HA2 -0.055 3.905 3.960 0.000 0.000 0.216 732 G HA3 -0.055 3.905 3.960 0.000 0.000 0.216 732 G C 1.317 176.352 174.900 0.225 0.000 1.126 732 G CA 1.407 46.633 45.100 0.209 0.000 0.778 732 G HN 0.823 nan 8.290 nan 0.000 0.543 733 T N 1.548 116.155 114.554 0.089 0.000 2.737 733 T HA -0.142 4.208 4.350 0.000 0.000 0.269 733 T C 2.774 177.360 174.700 -0.190 0.000 1.040 733 T CA 1.562 63.616 62.100 -0.077 0.000 1.142 733 T CB -0.265 68.517 68.868 -0.143 0.000 0.861 733 T HN 0.414 nan 8.240 nan 0.000 0.456 734 A N 1.417 124.203 122.820 -0.056 0.000 1.855 734 A HA 0.194 4.514 4.320 0.000 0.000 0.215 734 A C 2.690 180.337 177.584 0.105 0.000 1.191 734 A CA 1.822 53.861 52.037 0.003 0.000 0.613 734 A CB -1.221 17.868 19.000 0.148 0.000 0.829 734 A HN 0.512 nan 8.150 nan 0.000 0.442 735 A N -1.742 121.160 122.820 0.137 0.000 1.902 735 A HA -0.161 4.159 4.320 0.000 0.000 0.217 735 A C 2.013 179.693 177.584 0.160 0.000 1.181 735 A CA 1.386 53.510 52.037 0.144 0.000 0.623 735 A CB -0.878 18.154 19.000 0.054 0.000 0.818 735 A HN 0.746 nan 8.150 nan 0.000 0.443 736 W N -0.025 121.363 121.300 0.146 0.000 2.436 736 W HA -0.044 4.616 4.660 0.000 0.000 0.284 736 W C 2.077 178.669 176.519 0.122 0.000 1.225 736 W CA 1.156 58.614 57.345 0.189 0.000 1.271 736 W CB -0.224 29.358 29.460 0.204 0.000 1.114 736 W HN 0.415 nan 8.180 nan 0.000 0.559 737 N N -0.581 118.250 118.700 0.219 0.000 2.223 737 N HA -0.198 4.542 4.740 0.000 0.000 0.185 737 N C 1.477 177.142 175.510 0.259 0.000 1.016 737 N CA 1.393 54.548 53.050 0.176 0.000 0.863 737 N CB -0.547 37.870 38.487 -0.118 0.000 0.983 737 N HN -0.013 nan 8.380 nan 0.000 0.429 738 F N 0.864 120.889 119.950 0.125 0.000 2.146 738 F HA -0.081 4.446 4.527 0.000 0.000 0.298 738 F C 1.974 177.790 175.800 0.027 0.000 1.096 738 F CA 0.754 58.802 58.000 0.080 0.000 1.275 738 F CB -0.399 38.644 39.000 0.072 0.000 1.008 738 F HN -0.198 nan 8.300 nan 0.000 0.480 739 V N 0.544 120.527 119.914 0.115 0.000 2.252 739 V HA -0.373 3.747 4.120 0.000 0.000 0.249 739 V C 2.732 178.918 176.094 0.153 0.000 1.056 739 V CA 2.019 64.368 62.300 0.082 0.000 1.022 739 V CB -1.592 30.315 31.823 0.141 0.000 0.641 739 V HN 0.467 nan 8.190 nan 0.000 0.445 740 A N -0.687 122.288 122.820 0.258 0.000 1.865 740 A HA -0.212 4.108 4.320 0.000 0.000 0.217 740 A C 2.473 180.089 177.584 0.052 0.000 1.191 740 A CA 2.408 54.605 52.037 0.266 0.000 0.623 740 A CB -0.903 18.253 19.000 0.260 0.000 0.826 740 A HN 0.361 nan 8.150 nan 0.000 0.444 741 V N 0.491 120.319 119.914 -0.142 0.000 2.323 741 V HA -0.166 3.954 4.120 0.000 0.000 0.244 741 V C 2.885 178.736 176.094 -0.405 0.000 1.041 741 V CA 2.944 65.023 62.300 -0.369 0.000 1.025 741 V CB -0.411 31.101 31.823 -0.519 0.000 0.656 741 V HN 0.813 nan 8.190 nan 0.000 0.451 742 S N -0.847 114.451 115.700 -0.670 0.000 2.371 742 S HA -0.213 4.257 4.470 0.000 0.000 0.224 742 S C 1.844 176.207 174.600 -0.394 0.000 1.029 742 S CA 1.577 59.267 58.200 -0.851 0.000 0.978 742 S CB -0.365 61.692 63.200 -1.905 0.000 0.833 742 S HN 0.757 nan 8.310 nan 0.000 0.466 743 Q N -1.284 118.305 119.800 -0.351 0.000 2.373 743 Q HA 0.223 4.563 4.340 0.000 0.000 0.210 743 Q C 1.168 176.825 176.000 -0.571 0.000 0.913 743 Q CA 0.618 56.188 55.803 -0.388 0.000 0.911 743 Q CB 0.115 28.596 28.738 -0.427 0.000 1.040 743 Q HN 0.711 nan 8.270 nan 0.000 0.521 744 Y N -0.638 119.619 120.300 -0.072 0.000 2.609 744 Y HA 0.111 4.661 4.550 0.000 0.000 0.281 744 Y C 1.800 177.671 175.900 -0.048 0.000 1.132 744 Y CA 0.065 58.147 58.100 -0.032 0.000 1.264 744 Y CB 0.298 38.766 38.460 0.014 0.000 1.325 744 Y HN -0.083 nan 8.280 nan 0.000 0.514 745 L N -0.392 120.848 121.223 0.029 0.000 2.013 745 L HA -0.134 4.206 4.340 0.000 0.000 0.204 745 L C 2.015 178.812 176.870 -0.123 0.000 1.081 745 L CA 1.258 56.058 54.840 -0.066 0.000 0.751 745 L CB -0.774 41.190 42.059 -0.158 0.000 0.901 745 L HN 0.179 nan 8.230 nan 0.000 0.440 746 L N -0.258 120.849 121.223 -0.192 0.000 2.201 746 L HA -0.049 4.291 4.340 0.000 0.000 0.212 746 L C 1.510 178.407 176.870 0.045 0.000 1.105 746 L CA 0.922 55.671 54.840 -0.153 0.000 0.775 746 L CB -0.799 41.151 42.059 -0.181 0.000 0.913 746 L HN 0.648 nan 8.230 nan 0.000 0.440 747 G N -0.192 108.583 108.800 -0.042 0.000 2.132 747 G HA2 -0.228 3.732 3.960 0.000 0.000 0.234 747 G HA3 -0.228 3.732 3.960 0.000 0.000 0.234 747 G C 0.057 174.897 174.900 -0.099 0.000 0.989 747 G CA -0.023 45.032 45.100 -0.075 0.000 0.676 747 G HN 0.120 nan 8.290 nan 0.000 0.522 748 V N 1.677 121.557 119.914 -0.057 0.000 2.318 748 V HA 0.714 4.834 4.120 0.000 0.000 0.271 748 V C 0.512 176.554 176.094 -0.086 0.000 1.030 748 V CA 0.066 62.339 62.300 -0.046 0.000 0.844 748 V CB 0.944 32.774 31.823 0.012 0.000 1.015 748 V HN 0.718 nan 8.190 nan 0.000 0.460 749 R N 4.509 124.914 120.500 -0.159 0.000 2.510 749 R HA 0.588 4.928 4.340 0.000 0.000 0.287 749 R C -3.368 172.841 176.300 -0.152 0.000 1.084 749 R CA -1.858 54.131 56.100 -0.186 0.000 0.934 749 R CB 2.098 32.191 30.300 -0.344 0.000 1.201 749 R HN 0.304 nan 8.270 nan 0.000 0.431 750 P HA 0.104 nan 4.420 nan 0.000 0.268 750 P C -1.007 176.230 177.300 -0.105 0.000 1.204 750 P CA 0.145 63.225 63.100 -0.033 0.000 0.768 750 P CB 0.768 32.466 31.700 -0.004 0.000 0.842 751 D N 0.758 121.097 120.400 -0.101 0.000 2.654 751 D HA 0.211 4.851 4.640 0.000 0.000 0.255 751 D C 0.884 177.146 176.300 -0.064 0.000 1.101 751 D CA -0.662 53.228 54.000 -0.183 0.000 1.116 751 D CB 0.653 41.378 40.800 -0.125 0.000 1.348 751 D HN 0.196 nan 8.370 nan 0.000 0.609 752 Y N 0.078 120.476 120.300 0.164 0.000 2.181 752 Y HA -0.050 4.500 4.550 0.000 0.000 0.288 752 Y C 1.513 177.647 175.900 0.390 0.000 1.146 752 Y CA 1.283 59.564 58.100 0.301 0.000 1.164 752 Y CB 0.160 38.863 38.460 0.406 0.000 0.982 752 Y HN 0.288 nan 8.280 nan 0.000 0.515 753 D N -1.942 118.657 120.400 0.331 0.000 2.474 753 D HA 0.291 4.931 4.640 0.000 0.000 0.213 753 D C 0.896 177.052 176.300 -0.241 0.000 1.120 753 D CA 0.693 54.817 54.000 0.207 0.000 0.836 753 D CB 1.065 41.951 40.800 0.144 0.000 1.019 753 D HN 0.291 nan 8.370 nan 0.000 0.507 754 G N 0.279 108.680 108.800 -0.666 0.000 2.600 754 G HA2 0.446 4.406 3.960 0.000 0.000 0.293 754 G HA3 0.446 4.406 3.960 0.000 0.000 0.293 754 G C -2.033 172.214 174.900 -1.089 0.000 1.408 754 G CA -0.694 43.653 45.100 -1.255 0.000 0.782 754 G HN 0.013 nan 8.290 nan 0.000 0.482 755 L N 1.065 121.797 121.223 -0.819 0.000 2.264 755 L HA 0.671 5.011 4.340 0.000 0.000 0.289 755 L C -0.022 176.665 176.870 -0.305 0.000 1.044 755 L CA -0.623 53.949 54.840 -0.448 0.000 0.807 755 L CB 1.352 43.097 42.059 -0.523 0.000 1.192 755 L HN 0.281 nan 8.230 nan 0.000 0.425 756 V N 6.050 125.828 119.914 -0.226 0.000 2.583 756 V HA 0.355 4.475 4.120 0.000 0.000 0.287 756 V C -0.191 175.810 176.094 -0.155 0.000 1.051 756 V CA -0.438 61.759 62.300 -0.171 0.000 1.010 756 V CB 1.543 33.276 31.823 -0.150 0.000 0.988 756 V HN 0.517 nan 8.190 nan 0.000 0.478 757 V N 4.079 123.921 119.914 -0.119 0.000 2.357 757 V HA 0.425 4.545 4.120 0.000 0.000 0.281 757 V C -0.553 175.501 176.094 -0.068 0.000 1.015 757 V CA -0.275 61.970 62.300 -0.092 0.000 0.827 757 V CB 1.433 33.208 31.823 -0.081 0.000 1.018 757 V HN 0.974 nan 8.190 nan 0.000 0.432 758 D N 5.357 125.720 120.400 -0.061 0.000 2.968 758 D HA 0.345 4.985 4.640 0.000 0.000 0.301 758 D C -2.789 173.505 176.300 -0.011 0.000 1.226 758 D CA -1.422 52.555 54.000 -0.039 0.000 0.746 758 D CB 1.502 42.272 40.800 -0.049 0.000 1.278 758 D HN 0.259 nan 8.370 nan 0.000 0.544 759 P HA 0.216 nan 4.420 nan 0.000 0.266 759 P C -0.683 176.639 177.300 0.036 0.000 1.195 759 P CA 0.139 63.273 63.100 0.058 0.000 0.768 759 P CB 0.603 32.364 31.700 0.101 0.000 0.838 760 Q N 2.238 122.055 119.800 0.029 0.000 3.990 760 Q HA 0.369 4.709 4.340 0.000 0.000 0.175 760 Q C -0.921 175.080 176.000 0.001 0.000 0.875 760 Q CA 0.174 55.993 55.803 0.026 0.000 0.761 760 Q CB -0.383 28.388 28.738 0.055 0.000 1.491 760 Q HN 0.439 nan 8.270 nan 0.000 0.457 761 I N -0.249 120.295 120.570 -0.044 0.000 4.338 761 I HA 0.535 4.705 4.170 0.000 0.000 0.329 761 I C 0.630 176.668 176.117 -0.131 0.000 1.378 761 I CA 0.613 61.829 61.300 -0.141 0.000 1.170 761 I CB 0.517 38.322 38.000 -0.324 0.000 1.206 761 I HN 0.634 nan 8.210 nan 0.000 0.432 762 G N 2.211 110.980 108.800 -0.052 0.000 2.782 762 G HA2 -0.211 3.749 3.960 0.000 0.000 0.228 762 G HA3 -0.211 3.749 3.960 0.000 0.000 0.228 762 G C -2.295 172.582 174.900 -0.038 0.000 1.372 762 G CA -0.140 44.947 45.100 -0.021 0.000 0.862 762 G HN 0.110 nan 8.290 nan 0.000 0.547 763 P HA 0.146 nan 4.420 nan 0.000 0.245 763 P C 0.679 177.985 177.300 0.010 0.000 1.206 763 P CA 1.026 64.128 63.100 0.003 0.000 0.781 763 P CB 0.183 31.892 31.700 0.016 0.000 0.994 764 D N -0.123 120.291 120.400 0.022 0.000 2.312 764 D HA -0.017 4.623 4.640 0.000 0.000 0.211 764 D C 0.524 176.819 176.300 -0.010 0.000 0.964 764 D CA 0.863 54.905 54.000 0.069 0.000 0.877 764 D CB 0.143 41.096 40.800 0.255 0.000 0.924 764 D HN 0.084 nan 8.370 nan 0.000 0.515 765 V N 2.494 122.326 119.914 -0.136 0.000 2.266 765 V HA 0.152 4.272 4.120 0.000 0.000 0.266 765 V C -1.744 174.369 176.094 0.033 0.000 1.036 765 V CA -0.909 61.329 62.300 -0.104 0.000 0.828 765 V CB 1.874 33.503 31.823 -0.323 0.000 1.081 765 V HN -0.045 nan 8.190 nan 0.000 0.449 766 P HA 0.072 nan 4.420 nan 0.000 0.240 766 P C 0.316 177.642 177.300 0.043 0.000 1.190 766 P CA 0.555 63.680 63.100 0.041 0.000 0.781 766 P CB 0.653 32.367 31.700 0.024 0.000 0.931 767 S N -0.142 115.613 115.700 0.091 0.000 2.603 767 S HA 0.645 5.115 4.470 0.000 0.000 0.274 767 S C -1.099 173.588 174.600 0.144 0.000 1.168 767 S CA -0.718 57.500 58.200 0.030 0.000 0.963 767 S CB 1.052 64.253 63.200 0.002 0.000 1.078 767 S HN 0.243 nan 8.310 nan 0.000 0.477 768 Y N -1.715 118.567 120.300 -0.031 0.000 2.702 768 Y HA 0.802 5.353 4.550 0.000 0.000 0.336 768 Y C -1.342 174.541 175.900 -0.028 0.000 1.203 768 Y CA -1.052 57.033 58.100 -0.025 0.000 1.072 768 Y CB 0.856 39.298 38.460 -0.030 0.000 1.327 768 Y HN 0.552 nan 8.280 nan 0.000 0.456 769 T N 2.307 116.946 114.554 0.141 0.000 2.841 769 T HA 0.595 4.945 4.350 0.000 0.000 0.285 769 T C -1.244 173.529 174.700 0.123 0.000 0.991 769 T CA -0.691 61.433 62.100 0.041 0.000 0.966 769 T CB 1.617 70.488 68.868 0.006 0.000 0.962 769 T HN 0.619 nan 8.240 nan 0.000 0.438 770 V N 3.512 123.465 119.914 0.065 0.000 2.427 770 V HA 0.458 4.578 4.120 0.000 0.000 0.286 770 V C 0.305 176.334 176.094 -0.109 0.000 1.034 770 V CA -0.572 61.697 62.300 -0.052 0.000 0.893 770 V CB 1.765 33.503 31.823 -0.141 0.000 0.982 770 V HN 0.972 nan 8.190 nan 0.000 0.452 771 T N 5.452 119.923 114.554 -0.138 0.000 2.756 771 T HA 0.522 4.872 4.350 0.000 0.000 0.290 771 T C -0.243 174.360 174.700 -0.162 0.000 0.985 771 T CA -0.447 61.597 62.100 -0.094 0.000 0.955 771 T CB 0.701 69.547 68.868 -0.036 0.000 0.930 771 T HN 0.539 nan 8.240 nan 0.000 0.451 772 R N 3.180 123.625 120.500 -0.091 0.000 2.451 772 R HA 0.538 4.878 4.340 0.000 0.000 0.307 772 R C -1.450 174.916 176.300 0.110 0.000 0.965 772 R CA -0.650 55.402 56.100 -0.080 0.000 0.865 772 R CB 0.648 30.848 30.300 -0.168 0.000 1.174 772 R HN 0.426 nan 8.270 nan 0.000 0.455 773 V N 3.646 123.615 119.914 0.092 0.000 2.406 773 V HA 0.781 4.901 4.120 0.000 0.000 0.272 773 V C -0.067 176.097 176.094 0.117 0.000 1.043 773 V CA -0.263 62.108 62.300 0.119 0.000 0.915 773 V CB 1.027 32.885 31.823 0.058 0.000 0.988 773 V HN 0.880 nan 8.190 nan 0.000 0.466 774 A N 5.330 128.256 122.820 0.177 0.000 2.437 774 A HA 0.762 5.082 4.320 0.000 0.000 0.293 774 A C 0.328 177.916 177.584 0.006 0.000 1.038 774 A CA -0.760 51.308 52.037 0.053 0.000 0.708 774 A CB 1.072 20.080 19.000 0.013 0.000 1.251 774 A HN 0.704 nan 8.150 nan 0.000 0.409 775 R N 1.373 121.777 120.500 -0.160 0.000 3.525 775 R HA -0.230 4.110 4.340 0.000 0.000 0.276 775 R C 1.061 177.323 176.300 -0.064 0.000 1.116 775 R CA 1.509 57.486 56.100 -0.204 0.000 0.745 775 R CB -2.259 27.777 30.300 -0.438 0.000 1.185 775 R HN 2.628 nan 8.270 nan 0.000 0.454 776 G N -2.350 106.431 108.800 -0.030 0.000 2.179 776 G HA2 -0.262 3.698 3.960 0.000 0.000 0.260 776 G HA3 -0.262 3.698 3.960 0.000 0.000 0.260 776 G C 0.226 175.121 174.900 -0.008 0.000 0.977 776 G CA 0.600 45.689 45.100 -0.018 0.000 0.641 776 G HN 1.099 nan 8.290 nan 0.000 0.533 777 A N -0.771 122.063 122.820 0.023 0.000 2.354 777 A HA 0.896 5.216 4.320 0.000 0.000 0.321 777 A C 0.015 177.554 177.584 -0.074 0.000 1.125 777 A CA 0.355 52.349 52.037 -0.071 0.000 0.799 777 A CB 1.473 20.382 19.000 -0.151 0.000 1.293 777 A HN 0.655 nan 8.150 nan 0.000 0.452 778 T N 1.390 115.827 114.554 -0.196 0.000 2.771 778 T HA 0.533 4.883 4.350 0.000 0.000 0.281 778 T C -1.379 173.158 174.700 -0.271 0.000 0.982 778 T CA 0.326 62.363 62.100 -0.105 0.000 0.978 778 T CB 0.180 69.007 68.868 -0.068 0.000 0.930 778 T HN 0.368 nan 8.240 nan 0.000 0.447 779 Y N 1.944 122.226 120.300 -0.031 0.000 2.328 779 Y HA 0.346 4.896 4.550 0.000 0.000 0.337 779 Y C 0.698 176.562 175.900 -0.059 0.000 0.966 779 Y CA -0.985 57.093 58.100 -0.037 0.000 1.136 779 Y CB 1.155 39.595 38.460 -0.032 0.000 1.170 779 Y HN 0.439 nan 8.280 nan 0.000 0.470 780 E N 5.388 125.608 120.200 0.034 0.000 2.081 780 E HA 0.346 4.696 4.350 0.000 0.000 0.276 780 E C -0.844 175.757 176.600 0.001 0.000 0.950 780 E CA -0.266 56.135 56.400 0.002 0.000 0.776 780 E CB 1.612 31.298 29.700 -0.023 0.000 1.094 780 E HN 0.616 nan 8.360 nan 0.000 0.402 781 I N 2.410 122.970 120.570 -0.017 0.000 2.390 781 I HA 0.143 4.313 4.170 0.000 0.000 0.283 781 I C -0.073 175.984 176.117 -0.099 0.000 1.016 781 I CA -0.353 60.923 61.300 -0.041 0.000 1.151 781 I CB 1.429 39.407 38.000 -0.037 0.000 1.293 781 I HN 0.072 nan 8.210 nan 0.000 0.458 782 T N 5.847 120.332 114.554 -0.114 0.000 2.743 782 T HA 0.439 4.789 4.350 0.000 0.000 0.292 782 T C -0.064 174.495 174.700 -0.236 0.000 0.972 782 T CA -0.387 61.620 62.100 -0.155 0.000 0.967 782 T CB 1.303 70.111 68.868 -0.099 0.000 0.926 782 T HN 0.136 nan 8.240 nan 0.000 0.459 783 V N 4.095 123.762 119.914 -0.412 0.000 2.417 783 V HA 0.451 4.571 4.120 0.000 0.000 0.291 783 V C 0.269 176.135 176.094 -0.379 0.000 1.024 783 V CA -0.736 61.259 62.300 -0.509 0.000 0.861 783 V CB 1.901 33.094 31.823 -1.050 0.000 0.985 783 V HN 0.887 nan 8.190 nan 0.000 0.436 784 T N 4.378 118.797 114.554 -0.225 0.000 2.788 784 T HA 0.381 4.731 4.350 0.000 0.000 0.296 784 T C -0.343 174.294 174.700 -0.105 0.000 1.009 784 T CA -0.367 61.651 62.100 -0.137 0.000 0.949 784 T CB 0.498 69.311 68.868 -0.091 0.000 0.946 784 T HN 0.705 nan 8.240 nan 0.000 0.453 785 N N 1.380 120.038 118.700 -0.071 0.000 2.491 785 N HA 0.253 4.993 4.740 0.000 0.000 0.274 785 N C 1.119 176.620 175.510 -0.014 0.000 1.023 785 N CA -0.581 52.448 53.050 -0.034 0.000 0.902 785 N CB 1.443 39.936 38.487 0.010 0.000 1.267 785 N HN 0.350 nan 8.380 nan 0.000 0.503 786 S N 2.591 118.282 115.700 -0.014 0.000 2.428 786 S HA 0.121 4.591 4.470 0.000 0.000 0.230 786 S C 1.560 176.158 174.600 -0.003 0.000 1.014 786 S CA 0.780 58.975 58.200 -0.008 0.000 0.957 786 S CB -0.652 62.542 63.200 -0.009 0.000 0.784 786 S HN 1.201 nan 8.310 nan 0.000 0.499 787 G N 1.152 109.950 108.800 -0.003 0.000 2.155 787 G HA2 -0.132 3.828 3.960 0.000 0.000 0.257 787 G HA3 -0.132 3.828 3.960 0.000 0.000 0.257 787 G C 0.237 175.137 174.900 0.000 0.000 0.983 787 G CA 0.156 45.254 45.100 -0.003 0.000 0.676 787 G HN 1.373 nan 8.290 nan 0.000 0.528 788 A N 0.654 123.474 122.820 0.000 0.000 2.477 788 A HA 0.620 4.940 4.320 0.000 0.000 0.246 788 A C -1.204 176.382 177.584 0.004 0.000 1.078 788 A CA -0.581 51.457 52.037 0.002 0.000 0.770 788 A CB 0.190 19.191 19.000 0.000 0.000 1.011 788 A HN 0.219 nan 8.150 nan 0.000 0.494 789 P HA 0.238 nan 4.420 nan 0.000 0.265 789 P C 1.121 178.426 177.300 0.008 0.000 1.193 789 P CA 1.604 64.708 63.100 0.007 0.000 0.765 789 P CB 0.588 32.292 31.700 0.008 0.000 0.823 790 G N 1.611 110.418 108.800 0.012 0.000 2.212 790 G HA2 -0.254 3.706 3.960 0.000 0.000 0.266 790 G HA3 -0.254 3.706 3.960 0.000 0.000 0.266 790 G C 0.459 175.364 174.900 0.009 0.000 0.978 790 G CA 0.134 45.241 45.100 0.012 0.000 0.632 790 G HN 0.891 nan 8.290 nan 0.000 0.537 791 A N -0.076 122.747 122.820 0.006 0.000 2.450 791 A HA 0.778 5.098 4.320 0.000 0.000 0.255 791 A C 0.535 178.120 177.584 0.002 0.000 1.096 791 A CA 0.723 52.761 52.037 0.001 0.000 0.778 791 A CB 0.404 19.403 19.000 -0.002 0.000 1.031 791 A HN 0.632 nan 8.150 nan 0.000 0.494 792 R N 1.008 121.507 120.500 -0.001 0.000 2.892 792 R HA 0.687 5.027 4.340 0.000 0.000 0.265 792 R C 0.051 176.344 176.300 -0.011 0.000 1.025 792 R CA 0.002 56.101 56.100 -0.002 0.000 0.982 792 R CB 1.757 32.057 30.300 0.001 0.000 1.185 792 R HN 0.933 nan 8.270 nan 0.000 0.484 793 A N 0.728 123.538 122.820 -0.017 0.000 2.351 793 A HA 0.438 4.758 4.320 0.000 0.000 0.257 793 A C -0.598 176.969 177.584 -0.028 0.000 1.087 793 A CA -0.161 51.859 52.037 -0.028 0.000 0.798 793 A CB 0.320 19.298 19.000 -0.036 0.000 1.033 793 A HN 0.722 nan 8.150 nan 0.000 0.488 794 S N 0.943 116.624 115.700 -0.031 0.000 2.532 794 S HA 0.794 5.264 4.470 0.000 0.000 0.301 794 S C -0.680 173.899 174.600 -0.036 0.000 1.083 794 S CA -0.725 57.457 58.200 -0.030 0.000 1.025 794 S CB 1.021 64.206 63.200 -0.025 0.000 1.056 794 S HN 0.590 nan 8.310 nan 0.000 0.494 795 L N 2.035 123.238 121.223 -0.033 0.000 2.346 795 L HA 0.731 5.071 4.340 0.000 0.000 0.274 795 L C 0.024 176.878 176.870 -0.027 0.000 1.007 795 L CA -0.769 54.051 54.840 -0.034 0.000 0.818 795 L CB 2.396 44.435 42.059 -0.033 0.000 1.284 795 L HN 0.982 nan 8.230 nan 0.000 0.424 796 T N -0.762 113.775 114.554 -0.027 0.000 2.887 796 T HA 0.758 5.108 4.350 0.000 0.000 0.288 796 T C -0.679 174.011 174.700 -0.016 0.000 1.021 796 T CA -0.749 61.339 62.100 -0.021 0.000 1.000 796 T CB 2.116 70.971 68.868 -0.023 0.000 1.034 796 T HN 0.213 nan 8.240 nan 0.000 0.467 797 V N 2.744 122.652 119.914 -0.010 0.000 2.483 797 V HA 0.369 4.489 4.120 0.000 0.000 0.297 797 V C -0.488 175.600 176.094 -0.010 0.000 1.027 797 V CA -0.710 61.589 62.300 -0.003 0.000 0.855 797 V CB 1.271 33.101 31.823 0.012 0.000 0.995 797 V HN 1.122 nan 8.190 nan 0.000 0.424 798 D N 4.304 124.695 120.400 -0.016 0.000 2.701 798 D HA -0.202 4.438 4.640 0.000 0.000 0.235 798 D C 1.289 177.578 176.300 -0.019 0.000 1.155 798 D CA 1.804 55.791 54.000 -0.022 0.000 0.649 798 D CB -1.033 39.753 40.800 -0.024 0.000 1.050 798 D HN 1.450 nan 8.370 nan 0.000 0.425 799 G N -1.779 107.010 108.800 -0.018 0.000 2.195 799 G HA2 -0.038 3.922 3.960 0.000 0.000 0.246 799 G HA3 -0.038 3.922 3.960 0.000 0.000 0.246 799 G C 0.299 175.190 174.900 -0.016 0.000 0.984 799 G CA 0.434 45.524 45.100 -0.018 0.000 0.633 799 G HN 1.288 nan 8.290 nan 0.000 0.525 800 A N 0.275 123.087 122.820 -0.014 0.000 2.355 800 A HA 0.846 5.166 4.320 0.000 0.000 0.317 800 A C -2.572 175.004 177.584 -0.013 0.000 1.094 800 A CA -1.524 50.506 52.037 -0.013 0.000 0.764 800 A CB 1.654 20.648 19.000 -0.011 0.000 1.230 800 A HN 0.041 nan 8.150 nan 0.000 0.448 801 P HA 0.209 nan 4.420 nan 0.000 0.265 801 P C -0.273 177.019 177.300 -0.013 0.000 1.187 801 P CA 0.303 63.395 63.100 -0.015 0.000 0.766 801 P CB 0.635 32.327 31.700 -0.014 0.000 0.820 802 V N -0.361 119.544 119.914 -0.015 0.000 2.864 802 V HA 0.554 4.674 4.120 0.000 0.000 0.314 802 V C -0.440 175.644 176.094 -0.018 0.000 1.073 802 V CA -0.991 61.300 62.300 -0.015 0.000 0.956 802 V CB 2.177 33.991 31.823 -0.015 0.000 1.023 802 V HN 0.174 nan 8.190 nan 0.000 0.435 803 D N 2.263 122.652 120.400 -0.017 0.000 2.348 803 D HA 0.561 5.201 4.640 0.000 0.000 0.253 803 D C 0.782 177.069 176.300 -0.022 0.000 1.161 803 D CA 2.095 56.084 54.000 -0.017 0.000 0.876 803 D CB 0.987 41.778 40.800 -0.015 0.000 1.160 803 D HN 1.464 nan 8.370 nan 0.000 0.459 804 G N 2.911 111.698 108.800 -0.022 0.000 2.642 804 G HA2 -0.287 3.673 3.960 0.000 0.000 0.231 804 G HA3 -0.287 3.673 3.960 0.000 0.000 0.231 804 G C 0.297 175.177 174.900 -0.032 0.000 1.338 804 G CA -0.497 44.588 45.100 -0.024 0.000 0.883 804 G HN 0.578 nan 8.290 nan 0.000 0.570 805 R N -0.327 120.150 120.500 -0.038 0.000 2.577 805 R HA 0.324 4.664 4.340 0.000 0.000 0.344 805 R C -0.029 176.227 176.300 -0.072 0.000 1.037 805 R CA 0.288 56.358 56.100 -0.050 0.000 1.102 805 R CB 0.795 31.068 30.300 -0.045 0.000 1.313 805 R HN 0.407 nan 8.270 nan 0.000 0.561 806 T N 1.025 115.534 114.554 -0.075 0.000 2.770 806 T HA 0.293 4.643 4.350 0.000 0.000 0.283 806 T C -0.297 174.334 174.700 -0.116 0.000 0.988 806 T CA -0.349 61.683 62.100 -0.113 0.000 0.957 806 T CB 2.375 71.177 68.868 -0.110 0.000 0.930 806 T HN -0.208 nan 8.240 nan 0.000 0.443 807 V N 7.082 126.905 119.914 -0.151 0.000 2.364 807 V HA 0.287 4.407 4.120 0.000 0.000 0.272 807 V C -2.124 173.873 176.094 -0.161 0.000 1.036 807 V CA -2.134 60.106 62.300 -0.099 0.000 0.880 807 V CB 0.834 32.639 31.823 -0.031 0.000 0.991 807 V HN 0.675 nan 8.190 nan 0.000 0.460 808 P HA 0.072 nan 4.420 nan 0.000 0.268 808 P C -0.693 176.613 177.300 0.011 0.000 1.205 808 P CA -0.095 62.949 63.100 -0.093 0.000 0.771 808 P CB 0.180 31.875 31.700 -0.009 0.000 0.858 809 Y N 1.381 121.739 120.300 0.097 0.000 2.620 809 Y HA 0.242 4.792 4.550 0.000 0.000 0.330 809 Y C 1.295 177.288 175.900 0.154 0.000 1.186 809 Y CA 0.092 58.287 58.100 0.158 0.000 1.467 809 Y CB -0.447 38.082 38.460 0.114 0.000 1.262 809 Y HN 0.363 nan 8.280 nan 0.000 0.550 810 A N 6.558 129.611 122.820 0.388 0.000 2.287 810 A HA 0.598 4.918 4.320 0.000 0.000 0.273 810 A C -2.203 175.450 177.584 0.116 0.000 1.091 810 A CA -1.586 50.549 52.037 0.165 0.000 0.817 810 A CB -0.277 18.735 19.000 0.020 0.000 1.069 810 A HN 0.539 nan 8.150 nan 0.000 0.492 811 P HA 0.349 nan 4.420 nan 0.000 0.272 811 P C -0.231 177.071 177.300 0.003 0.000 1.223 811 P CA -0.018 63.101 63.100 0.032 0.000 0.784 811 P CB 0.499 32.210 31.700 0.018 0.000 0.923 812 A N 1.311 124.132 122.820 0.001 0.000 2.498 812 A HA 0.425 4.745 4.320 0.000 0.000 0.239 812 A C 1.484 179.054 177.584 -0.024 0.000 1.068 812 A CA 0.722 52.752 52.037 -0.013 0.000 0.766 812 A CB -1.321 17.672 19.000 -0.012 0.000 1.003 812 A HN 0.912 nan 8.150 nan 0.000 0.497 813 G N 1.405 110.184 108.800 -0.036 0.000 2.199 813 G HA2 -0.228 3.732 3.960 0.000 0.000 0.254 813 G HA3 -0.228 3.732 3.960 0.000 0.000 0.254 813 G C 0.595 175.459 174.900 -0.062 0.000 0.982 813 G CA 0.466 45.541 45.100 -0.042 0.000 0.632 813 G HN 1.195 nan 8.290 nan 0.000 0.529 814 S N 0.477 116.127 115.700 -0.083 0.000 2.579 814 S HA 0.538 5.008 4.470 0.000 0.000 0.275 814 S C 0.398 174.900 174.600 -0.163 0.000 1.345 814 S CA 0.631 58.760 58.200 -0.118 0.000 1.031 814 S CB 1.308 64.423 63.200 -0.143 0.000 0.892 814 S HN 0.416 nan 8.310 nan 0.000 0.529 815 T N 2.471 116.933 114.554 -0.153 0.000 2.772 815 T HA 0.451 4.801 4.350 0.000 0.000 0.288 815 T C -0.639 173.941 174.700 -0.199 0.000 0.994 815 T CA -0.442 61.552 62.100 -0.175 0.000 0.951 815 T CB 0.762 69.566 68.868 -0.107 0.000 0.933 815 T HN 0.307 nan 8.240 nan 0.000 0.447 816 V N 5.143 124.875 119.914 -0.303 0.000 2.417 816 V HA 0.472 4.592 4.120 0.000 0.000 0.291 816 V C 0.169 176.192 176.094 -0.119 0.000 1.024 816 V CA -0.955 61.199 62.300 -0.244 0.000 0.861 816 V CB 1.453 33.019 31.823 -0.428 0.000 0.985 816 V HN 0.718 nan 8.190 nan 0.000 0.436 817 R N 3.677 124.141 120.500 -0.060 0.000 2.246 817 R HA 0.611 4.951 4.340 0.000 0.000 0.332 817 R C -1.209 175.085 176.300 -0.010 0.000 0.974 817 R CA -0.517 55.564 56.100 -0.031 0.000 0.837 817 R CB 1.750 32.028 30.300 -0.037 0.000 1.145 817 R HN 0.510 nan 8.270 nan 0.000 0.467 818 V N 3.735 123.654 119.914 0.008 0.000 2.398 818 V HA 0.207 4.327 4.120 0.000 0.000 0.286 818 V C -0.021 176.054 176.094 -0.031 0.000 1.026 818 V CA -0.772 61.531 62.300 0.005 0.000 0.868 818 V CB 1.675 33.519 31.823 0.035 0.000 0.982 818 V HN 0.605 nan 8.190 nan 0.000 0.443 819 E N 4.039 124.216 120.200 -0.039 0.000 2.133 819 E HA 0.510 4.860 4.350 0.000 0.000 0.274 819 E C -0.949 175.611 176.600 -0.066 0.000 0.930 819 E CA -0.480 55.885 56.400 -0.058 0.000 0.770 819 E CB 2.250 31.921 29.700 -0.048 0.000 1.104 819 E HN 0.382 nan 8.360 nan 0.000 0.403 820 V N 2.738 122.594 119.914 -0.096 0.000 2.417 820 V HA 0.418 4.538 4.120 0.000 0.000 0.291 820 V C -0.026 176.007 176.094 -0.102 0.000 1.024 820 V CA -0.634 61.607 62.300 -0.099 0.000 0.861 820 V CB 1.856 33.599 31.823 -0.133 0.000 0.985 820 V HN 0.582 nan 8.190 nan 0.000 0.436 821 T N 4.451 118.962 114.554 -0.073 0.000 2.815 821 T HA 0.671 5.021 4.350 0.000 0.000 0.289 821 T C -0.191 174.479 174.700 -0.051 0.000 1.000 821 T CA -0.329 61.733 62.100 -0.063 0.000 0.958 821 T CB 1.589 70.429 68.868 -0.047 0.000 0.944 821 T HN 0.359 nan 8.240 nan 0.000 0.442 822 V N 0.000 119.884 119.914 -0.050 0.000 2.409 822 V HA 0.000 4.120 4.120 0.000 0.000 0.244 822 V CA 0.000 62.281 62.300 -0.032 0.000 1.235 822 V CB 0.000 31.808 31.823 -0.025 0.000 1.184 822 V HN 0.000 nan 8.190 nan 0.000 0.556